A0A5K4F2P6_SCHMA Loading...

BACK domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2P6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 664 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	30.4	Very low	58.8	Low	230 Å²	230	105.5 Å²	105.5	100%	1.133	55%	0.549	S	S	*	.				0	110.2	0	-71.5	169.7	-172.6	0	0	106.9	E3	M1-E3 PolarHBondContact O-N 2.93Å
2	V	34.7	Very low	59.1	Low	131 Å²	131	111.6 Å²	111.6	79%	0.794	58%	0.577	S	S	*	*			trans	-70.2	116.3	163.4	176.8	0	0	0	0	104.3	M4	V2-M4 VanDerWaalsContact C-N 3.34Å; V2-M4 PolarHBondContact O-N 2.92Å
3	E	42.9	Very low	59.2	Low	132 Å²	132	103.9 Å²	103.9	62%	0.617	54%	0.542	S	S	*	.			trans	-59.4	99.2	173	-78.9	-173.7	169.1	0	0	107.7	M1 K5	M1-E3 PolarHBondContact O-N 2.93Å; E3-K5 PolarHBondContact O-N 3.35Å; E3-K5 VanDerWaalsContact OE2-CE 3.23Å; E3-K5 WeakPolarHBondContact OE2-CE 3.29Å; E3-K5 IonicContact OE2-NZ 2.7Å; E3-K5 PolarHBondContact OE2-NZ 2.98Å
4	M	52.2	Low	59.3	Low	119 Å²	119	97.1 Å²	97.1	59%	0.586	51%	0.508	S	S	*	.			trans	-70	124.1	167	-72.4	-164.5	-167.3	0	0	106.5	V2 Y163	V2-M4 VanDerWaalsContact C-N 3.34Å; V2-M4 PolarHBondContact O-N 2.92Å; M4-Y163 PolarHBondContact O-OH 3.38Å
5	K	60	Low	59.5	Low	130 Å²	130	97.1 Å²	97.1	57%	0.565	50%	0.502	S	S	*	.			trans	-117.2	116.1	170.9	-74.3	179.5	-179.8	153.3	0	107.1	E3 D137	E3-K5 PolarHBondContact O-N 3.35Å; E3-K5 VanDerWaalsContact OE2-CE 3.23Å; E3-K5 WeakPolarHBondContact OE2-CE 3.29Å; E3-K5 IonicContact OE2-NZ 2.7Å; E3-K5 PolarHBondContact OE2-NZ 2.98Å; K5-D137 HydrophobicContact CG-CB 4.42Å
6	G	67.9	Low	59.6	Low	16 Å²	16	97.5 Å²	97.5	17%	0.165	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	117.4	174	0	0	0	0	0	109.6	T135 I136	G6-T135 WeakPolarHBondContact O-CA 3.09Å; G6-I136 PolarHBondContact N-O 3.46Å; G6-I136 VanDerWaalsContact N-O 3.09Å; G6-I136 PolarHBondContact O-N 3.34Å
7	K	77.4	Confident	59.8	Low	125 Å²	125	97 Å²	97	54%	0.543	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	117.3	169.7	-170.4	-177.3	-178.1	-165.3	0	108.7	E133 T135	K7-E133 WeakPolarHBondContact CE-OE2 3.41Å; K7-E133 IonicContact NZ-OE1 3.31Å; K7-E133 PolarHBondContact NZ-OE1 3.17Å; K7-E133 IonicContact NZ-OE2 2.65Å; K7-E133 PolarHBondContact NZ-OE2 3.12Å; K7-T135 HydrophobicContact CB-CG2 4.44Å; K7-T135 HydrophobicContact CG-CG2 4.14Å
8	F	77.9	Confident	59.9	Low	44 Å²	44	91.9 Å²	91.9	19%	0.193	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137	179	-57.6	-93.1	0	0	0	109.9	E133 I134 I136 F155 T159	F8-E133 WeakPolarHBondContact O-CA 3.4Å; F8-I134 HydrophobicContact CB-CG2 3.94Å; F8-I134 PolarHBondContact N-O 2.97Å; F8-I134 PolarHBondContact O-N 3.09Å; F8-I136 HydrophobicContact CD2-CD1 3.82Å; F8-I136 HydrophobicContact CD2-CG1 4.11Å; F8-I136 HydrophobicContact CE2-CB 4.32Å; F8-I136 HydrophobicContact CE2-CD1 3.8Å; F8-I136 HydrophobicContact CE2-CG1 4.19Å; F8-F155 HydrophobicContact CB-CZ 4.16Å; F8-T159 HydrophobicContact CB-CG2 3.75Å; F8-T159 HydrophobicContact CD1-CG2 3.78Å; F8-T159 HydrophobicContact CD2-CG2 4.49Å; F8-T159 HydrophobicContact CG-CG2 3.77Å
9	V	72.8	Confident	60.1	Low	84 Å²	84	92.3 Å²	92.3	51%	0.509	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.1	179.4	179.9	0	0	0	0	107.3	P11 E133	V9-P11 WeakPolarHBondContact O-CD 3.46Å; V9-E133 HydrophobicContact CG1-CG 4.46Å; V9-E133 HydrophobicContact CG2-CG 4.11Å
10	N	70.1	Confident	60.3	Low	28 Å²	28	94.6 Å²	94.6	15%	0.15	48%	0.482	C	S	.	.			trans	-81.6	109.1	174.3	-174.6	-10.2	0	0	0	109.2	M12 G13 Y128 S132 F155	N10-M12 PolarHBondContact O-N 3.4Å; N10-M12 PolarHBondContact OD1-N 3.07Å; N10-G13 VanDerWaalsContact CG-CA 3.5Å; N10-G13 PolarHBondContact O-N 2.89Å; N10-G13 PolarHBondContact OD1-N 3.23Å; N10-Y128 HydrophobicContact CB-CE2 4.42Å; N10-S132 PolarHBondContact N-O 3.31Å; N10-F155 VanDerWaalsContact CA-CE2 3.49Å; N10-F155 VanDerWaalsContact CA-CZ 3.47Å; N10-F155 HydrophobicContact CB-CD1 3.92Å; N10-F155 HydrophobicContact CB-CD2 3.87Å; N10-F155 HydrophobicContact CB-CE1 3.72Å; N10-F155 HydrophobicContact CB-CE2 3.67Å; N10-F155 HydrophobicContact CB-CG 4Å; N10-F155 HydrophobicContact CB-CZ 3.59Å
11	P	60.7	Low	60.3	Low	121 Å²	121	92 Å²	92	79%	0.786	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-19.4	-177.1	28	-34.1	0	0	0	113.1	V9	V9-P11 WeakPolarHBondContact O-CD 3.46Å
12	M	62.6	Low	61.7	Low	179 Å²	179	84.8 Å²	84.8	88%	0.882	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	21.6	172.4	-65.9	-128.8	164.4	0	0	111.7	N10	N10-M12 PolarHBondContact O-N 3.4Å; N10-M12 PolarHBondContact OD1-N 3.07Å
13	G	60.5	Low	63	Low	12 Å²	12	84.8 Å²	84.8	12%	0.124	42%	0.424	C	S	.	.			trans	-65.3	160.4	-171.9	0	0	0	0	0	113.4	N10 F15 S132	N10-G13 VanDerWaalsContact CG-CA 3.5Å; N10-G13 PolarHBondContact O-N 2.89Å; N10-G13 PolarHBondContact OD1-N 3.23Å; G13-F15 PolarHBondContact O-N 2.78Å; G13-S132 VanDerWaalsContact C-OG 3.25Å; G13-S132 WeakPolarHBondContact CA-OG 3.31Å
14	P	59.7	Low	63.7	Low	9 Å²	9	85.3 Å²	85.3	6%	0.058	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	6.2	-177.7	34	-43.1	0	0	0	113.5	D16 I17 C18 A52 V53 S132	P14-D16 PolarHBondContact O-N 3.03Å; P14-I17 CarbonylContact O-C 3.43Å; P14-I17 PolarHBondContact O-N 2.75Å; P14-I17 VanDerWaalsContact O-N 3.11Å; P14-C18 WeakPolarHBondContact O-CB 3.26Å; P14-C18 PolarHBondContact O-N 3.37Å; P14-C18 PolarHBondContact O-SG 3.45Å; P14-A52 HydrophobicContact CB-CB 4.44Å; P14-V53 HydrophobicContact CB-CG2 4.35Å; P14-V53 HydrophobicContact CG-CG2 3.89Å; P14-S132 WeakPolarHBondContact CD-OG 3.41Å; P14-S132 VanDerWaalsContact N-OG 3.11Å
15	F	62	Low	63.9	Low	96 Å²	96	81.9 Å²	81.9	42%	0.421	41%	0.409	S	S	.	.	H	α-helix	trans	-53.5	-51.4	-175.6	-173.3	-98.9	0	0	0	112.3	G13 I17 C18 Q19 S132	G13-F15 PolarHBondContact O-N 2.78Å; F15-I17 VanDerWaalsContact C-N 3.32Å; F15-I17 PolarHBondContact O-N 3.41Å; F15-C18 PolarHBondContact O-N 2.97Å; F15-Q19 VanDerWaalsContact O-CB 3.32Å; F15-Q19 WeakPolarHBondContact O-CB 3.47Å; F15-Q19 PolarHBondContact O-N 3.12Å; F15-S132 WeakPolarHBondContact CB-OG 3.33Å; F15-S132 PolarHBondContact N-OG 2.86Å
16	D	61.5	Low	63.5	Low	104 Å²	104	84 Å²	84	56%	0.556	41%	0.413	S	S	*	.	H	α-helix	trans	-67	-36	179.4	-70.2	-20.7	0	0	0	112	P14 K20	P14-D16 PolarHBondContact O-N 3.03Å; D16-K20 WeakPolarHBondContact O-CB 2.98Å; D16-K20 VanDerWaalsContact O-CG 3.26Å; D16-K20 WeakPolarHBondContact O-CG 3.18Å; D16-K20 PolarHBondContact O-N 3.24Å
17	I	63	Low	62.7	Low	89 Å²	89	88.2 Å²	88.2	46%	0.456	44%	0.44	S	S	.	.	H	α-helix	trans	-69.8	-43.7	178.2	-61.9	174.6	0	0	0	110	P14 F15 K20 L21 A52	P14-I17 CarbonylContact O-C 3.43Å; P14-I17 PolarHBondContact O-N 2.75Å; P14-I17 VanDerWaalsContact O-N 3.11Å; F15-I17 VanDerWaalsContact C-N 3.32Å; F15-I17 PolarHBondContact O-N 3.41Å; I17-K20 PolarHBondContact O-N 3.35Å; I17-L21 HydrophobicContact CG2-CD1 3.59Å; I17-L21 HydrophobicContact CG2-CG 4.18Å; I17-L21 VanDerWaalsContact O-CB 3.26Å; I17-L21 WeakPolarHBondContact O-CB 3.38Å; I17-L21 WeakPolarHBondContact O-CG 3.4Å; I17-L21 PolarHBondContact O-N 3.11Å; I17-A52 HydrophobicContact CG2-CB 4.03Å
18	C	62.4	Low	61.5	Low	5 Å²	5	89.6 Å²	89.6	3%	0.034	45%	0.446	C	S	.	.	H	α-helix	trans	-67.7	-40.6	177.7	-69.3	0	0	0	0	110.9	P14 F15 K20 L21 H22 V49	P14-C18 WeakPolarHBondContact O-CB 3.26Å; P14-C18 PolarHBondContact O-N 3.37Å; P14-C18 PolarHBondContact O-SG 3.45Å; F15-C18 PolarHBondContact O-N 2.97Å; C18-K20 VanDerWaalsContact C-N 3.34Å; C18-L21 PolarHBondContact O-N 3.43Å; C18-H22 WeakPolarHBondContact O-CA 3.22Å; C18-H22 WeakPolarHBondContact O-CB 3.46Å; C18-H22 PolarHBondContact O-N 3.09Å; C18-V49 HydrophobicContact CB-CG2 4.29Å; C18-V49 VanDerWaalsContact SG-CG1 3.54Å
19	Q	63.3	Low	60.2	Low	99 Å²	99	92.7 Å²	92.7	46%	0.463	46%	0.464	S	S	.	.	H	α-helix	trans	-64.3	-42	176.4	-164.5	178.5	15.3	0	0	110.7	F15 Q23	F15-Q19 VanDerWaalsContact O-CB 3.32Å; F15-Q19 WeakPolarHBondContact O-CB 3.47Å; F15-Q19 PolarHBondContact O-N 3.12Å; Q19-Q23 WeakPolarHBondContact O-CB 3.4Å; Q19-Q23 VanDerWaalsContact O-CG 3.29Å; Q19-Q23 WeakPolarHBondContact O-CG 3.47Å; Q19-Q23 PolarHBondContact O-N 3.13Å
20	K	63.1	Low	59.1	Low	138 Å²	138	96.3 Å²	96.3	60%	0.6	48%	0.481	S	S	*	.	H	α-helix	trans	-67	-45.5	174.6	-74.7	174.3	-178.2	173.6	0	112.6	D16 I17 C18 Q23 Q24	D16-K20 WeakPolarHBondContact O-CB 2.98Å; D16-K20 VanDerWaalsContact O-CG 3.26Å; D16-K20 WeakPolarHBondContact O-CG 3.18Å; D16-K20 PolarHBondContact O-N 3.24Å; I17-K20 PolarHBondContact O-N 3.35Å; C18-K20 VanDerWaalsContact C-N 3.34Å; K20-Q23 PolarHBondContact O-N 2.67Å; K20-Q24 WeakPolarHBondContact O-CG 3.45Å; K20-Q24 PolarHBondContact O-N 3.38Å
21	L	60.3	Low	58.4	Low	40 Å²	40	102.4 Å²	102.4	21%	0.209	51%	0.514	C	S	.	.	H	α-helix	trans	-67.3	-38.7	178.2	-72.6	171.1	0	0	0	111.7	I17 C18 Q23 Q24 Q25 C48	I17-L21 HydrophobicContact CG2-CD1 3.59Å; I17-L21 HydrophobicContact CG2-CG 4.18Å; I17-L21 VanDerWaalsContact O-CB 3.26Å; I17-L21 WeakPolarHBondContact O-CB 3.38Å; I17-L21 WeakPolarHBondContact O-CG 3.4Å; I17-L21 PolarHBondContact O-N 3.11Å; C18-L21 PolarHBondContact O-N 3.43Å; L21-Q23 VanDerWaalsContact C-N 3.35Å; L21-Q24 PolarHBondContact O-N 3.11Å; L21-Q25 WeakPolarHBondContact O-CB 3.26Å; L21-Q25 WeakPolarHBondContact O-CG 3.32Å; L21-Q25 PolarHBondContact O-N 2.83Å; L21-C48 HydrophobicContact CD1-CB 4.17Å
22	H	61.5	Low	58.5	Low	79 Å²	79	97.7 Å²	97.7	37%	0.366	48%	0.483	S	S	.	.	H	α-helix	trans	-65.8	-37	175.6	-171.2	75.7	0	0	0	111.4	C18	C18-H22 WeakPolarHBondContact O-CA 3.22Å; C18-H22 WeakPolarHBondContact O-CB 3.46Å; C18-H22 PolarHBondContact O-N 3.09Å
23	Q	61.3	Low	58.7	Low	132 Å²	132	90.8 Å²	90.8	62%	0.617	46%	0.458	S	S	*	.	H	α-helix	trans	-66.9	-39.7	171.3	-76.7	175.7	1.4	0	0	112.3	Q19 K20 L21	Q19-Q23 WeakPolarHBondContact O-CB 3.4Å; Q19-Q23 VanDerWaalsContact O-CG 3.29Å; Q19-Q23 WeakPolarHBondContact O-CG 3.47Å; Q19-Q23 PolarHBondContact O-N 3.13Å; K20-Q23 PolarHBondContact O-N 2.67Å; L21-Q23 VanDerWaalsContact C-N 3.35Å
24	Q	57.5	Low	59.3	Low	142 Å²	142	90.3 Å²	90.3	66%	0.664	45%	0.452	S	S	*	.	H	α-helix	trans	-74.7	-28.8	-179	-73.7	176.8	-2.9	0	0	114	K20 L21	K20-Q24 WeakPolarHBondContact O-CG 3.45Å; K20-Q24 PolarHBondContact O-N 3.38Å; L21-Q24 PolarHBondContact O-N 3.11Å
25	Q	56.1	Low	60.3	Low	47 Å²	47	91.9 Å²	91.9	22%	0.22	46%	0.46	C	S	.	.	H	α-helix	trans	-94.6	-3.5	-176	-71.2	-160.2	-19.2	0	0	115.6	L21 S27 K28 C48	L21-Q25 WeakPolarHBondContact O-CB 3.26Å; L21-Q25 WeakPolarHBondContact O-CG 3.32Å; L21-Q25 PolarHBondContact O-N 2.83Å; Q25-S27 PolarHBondContact O-N 3.5Å; Q25-K28 PolarHBondContact O-N 3.08Å; Q25-C48 PolarHBondContact OE1-SG 3.2Å
26	R	50.9	Low	61.3	Low	174 Å²	174	87.4 Å²	87.4	66%	0.657	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-14.7	174	-90	-178	-177.8	-171.2	-0.2	114.4	L29	R26-L29 VanDerWaalsContact O-CD1 3.31Å; R26-L29 WeakPolarHBondContact O-CD1 3.09Å
27	S	51.5	Low	62.2	Low	106 Å²	106	84.4 Å²	84.4	74%	0.741	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-5.7	175.6	57.9	0	0	0	0	115	Q25	Q25-S27 PolarHBondContact O-N 3.5Å
28	K	53.5	Low	63.1	Low	153 Å²	153	80.5 Å²	80.5	67%	0.665	40%	0.404	S	S	*	.			trans	-128	28.3	-176.3	-68	-170.9	176	-174.3	0	114.1	Q25 N30 D31 C32	Q25-K28 PolarHBondContact O-N 3.08Å; K28-N30 PolarHBondContact O-N 3.21Å; K28-D31 PolarHBondContact O-N 2.91Å; K28-C32 PolarHBondContact O-SG 2.81Å; K28-C32 VanDerWaalsContact O-SG 3.41Å
29	L	50.5	Low	63.7	Low	109 Å²	109	86.9 Å²	86.9	57%	0.571	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-20.5	-166.8	-97.4	145.9	0	0	0	117	R26	R26-L29 VanDerWaalsContact O-CD1 3.31Å; R26-L29 WeakPolarHBondContact O-CD1 3.09Å
30	N	50.1	Low	64.4	Low	160 Å²	160	86.1 Å²	86.1	86%	0.856	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-12	-173.8	-74	-2.2	0	0	0	115.6	K28	K28-N30 PolarHBondContact O-N 3.21Å
31	D	55	Low	65.3	Low	157 Å²	157	84.1 Å²	84.1	84%	0.84	43%	0.432	S	S	*	.	S	Bend	trans	-115.7	6.8	-174.6	-85.9	-17	0	0	0	114.6	K28	K28-D31 PolarHBondContact O-N 2.91Å
32	C	62.4	Low	66.3	Low	21 Å²	21	85.5 Å²	85.5	14%	0.142	45%	0.445	C	S	.	.			trans	-111.5	-0.3	-169.6	-58.1	0	0	0	0	114.7	K28 K47	K28-C32 PolarHBondContact O-SG 2.81Å; K28-C32 VanDerWaalsContact O-SG 3.41Å; C32-K47 PolarHBondContact O-N 2.89Å; C32-K47 VanDerWaalsContact O-N 3.08Å
33	G	65.7	Low	67.4	Low	35 Å²	35	83.5 Å²	83.5	36%	0.361	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	130.2	-178.8	0	0	0	0	0	111.8
34	F	74.6	Confident	68.3	Low	1 Å²	1	83.4 Å²	83.4	0%	0.004	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.1	172.8	-166.7	-91.8	0	0	0	107.9	V45 K47 L50 K109 N110 F112	F34-V45 HydrophobicContact CB-CG2 4.45Å; F34-V45 PolarHBondContact N-O 3.5Å; F34-V45 VanDerWaalsContact O-CG2 3.26Å; F34-V45 WeakPolarHBondContact O-CG2 3.3Å; F34-V45 PolarHBondContact O-N 3.48Å; F34-K47 HydrophobicContact CB-CB 4.18Å; F34-K47 HydrophobicContact CD2-CD 4.18Å; F34-K47 HydrophobicContact CD2-CG 4.27Å; F34-L50 HydrophobicContact CB-CD1 4.13Å; F34-L50 HydrophobicContact CD1-CD1 3.28Å; F34-L50 HydrophobicContact CE1-CD1 3.89Å; F34-L50 HydrophobicContact CG-CD1 3.95Å; F34-K109 WeakPolarHBondContact CE2-O 3.44Å; F34-N110 WeakPolarHBondContact CA-O 3.46Å; F34-F112 HydrophobicContact CE1-CB 3.44Å; F34-F112 VanDerWaalsContact CE1-CB 3.44Å; F34-F112 HydrophobicContact CZ-CB 3.81Å
35	L	80.7	Confident	69.3	Low	42 Å²	42	76.6 Å²	76.6	22%	0.22	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	114.2	-171.8	-168	60.9	0	0	0	110	E37 I44 N110 S111 F112	L35-E37 HydrophobicContact CD2-CG 4.03Å; L35-E37 WeakPolarHBondContact CD2-OE1 3.46Å; L35-E37 HydrophobicContact CG-CG 3.73Å; L35-I44 HydrophobicContact CD1-CG1 3.86Å; L35-N110 PolarHBondContact N-O 3.17Å; L35-S111 CarbonylContact O-C 3.53Å; L35-S111 VanDerWaalsContact O-CA 3.23Å; L35-S111 WeakPolarHBondContact O-CA 3.35Å; L35-F112 PolarHBondContact O-N 2.78Å
36	L	81.4	Confident	70.3	Confident	2 Å²	2	76.4 Å²	76.4	1%	0.01	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.3	167.1	-72.2	177.8	0	0	0	108.8	S42 Q43 V45 L50 F112 L114 L122 F125 V126 I129	L36-S42 CarbonylContact O-C 3.57Å; L36-S42 VanDerWaalsContact O-CA 3.31Å; L36-S42 WeakPolarHBondContact O-CA 3.48Å; L36-Q43 PolarHBondContact N-O 3.18Å; L36-Q43 PolarHBondContact O-N 3.23Å; L36-V45 HydrophobicContact CD1-CG1 4.08Å; L36-V45 HydrophobicContact CD1-CG2 3.83Å; L36-V45 HydrophobicContact CG-CG2 3.72Å; L36-L50 HydrophobicContact CD1-CD2 4.04Å; L36-L50 HydrophobicContact CD2-CD1 4.39Å; L36-L50 HydrophobicContact CD2-CD2 4.47Å; L36-L50 HydrophobicContact CG-CD1 4.47Å; L36-F112 WeakPolarHBondContact CA-O 3.3Å; L36-F112 HydrophobicContact CD2-CB 4.18Å; L36-F112 HydrophobicContact CD2-CD1 4.13Å; L36-L114 HydrophobicContact CD2-CD1 4.13Å; L36-L122 HydrophobicContact CB-CD1 4.02Å; L36-L122 HydrophobicContact CD1-CD1 4.42Å; L36-F125 HydrophobicContact CD1-CD1 4.39Å; L36-F125 HydrophobicContact CD1-CE1 4.29Å; L36-V126 HydrophobicContact CD1-CG2 4.09Å; L36-I129 HydrophobicContact CD1-CD1 4.16Å
37	E	80.7	Confident	71.3	Confident	41 Å²	41	69.8 Å²	69.8	19%	0.192	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140.8	-176.5	-59.3	-173.1	153.8	0	0	110.9	L35 F112 Y113 L114	L35-E37 HydrophobicContact CD2-CG 4.03Å; L35-E37 WeakPolarHBondContact CD2-OE1 3.46Å; L35-E37 HydrophobicContact CG-CG 3.73Å; E37-F112 PolarHBondContact N-O 2.81Å; E37-Y113 HydrophobicContact CB-CD2 3.86Å; E37-Y113 CarbonylContact O-C 3.55Å; E37-Y113 WeakPolarHBondContact O-CA 3Å; E37-L114 PolarHBondContact O-N 3.41Å
38	C	81.9	Confident	72.3	Confident	8 Å²	8	65.7 Å²	65.7	5%	0.054	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	177.6	159.6	74.1	0	0	0	0	109.1	S40 H41 I117 L122	C38-S40 PolarHBondContact O-N 2.87Å; C38-H41 PolarHBondContact N-O 3.21Å; C38-H41 PolarHBondContact O-N 3.13Å; C38-H41 PolarHBondContact SG-O 3.35Å; C38-I117 HydrophobicContact CB-CD1 4.27Å; C38-I117 HydrophobicContact CB-CG1 3.61Å; C38-L122 HydrophobicContact CB-CD2 4.42Å
39	E	74.9	Confident	73.3	Confident	139 Å²	139	58.5 Å²	58.5	65%	0.65	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-31.1	-175.7	-70.8	176.5	-170.4	0	0	114.5	Y113	E39-Y113 WeakPolarHBondContact CG-OH 3.31Å
40	S	78.1	Confident	74.5	Confident	83 Å²	83	53.4 Å²	53.4	58%	0.58	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	-4.4	-170.3	56.2	0	0	0	0	114.7	C38	C38-S40 PolarHBondContact O-N 2.87Å
41	H	82.6	Confident	75.7	Confident	96 Å²	96	50.9 Å²	50.9	44%	0.444	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	143	-172.1	-131.7	67.1	0	0	0	111.8	C38 A119 L122	C38-H41 PolarHBondContact N-O 3.21Å; C38-H41 PolarHBondContact O-N 3.13Å; C38-H41 PolarHBondContact SG-O 3.35Å; H41-A119 HydrophobicContact CB-CB 3.8Å; H41-L122 HydrophobicContact CB-CD2 4.18Å
42	S	82.3	Confident	76.6	Confident	69 Å²	69	45.5 Å²	45.5	48%	0.483	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.7	170.9	62.5	0	0	0	0	110	L36	L36-S42 CarbonylContact O-C 3.57Å; L36-S42 VanDerWaalsContact O-CA 3.31Å; L36-S42 WeakPolarHBondContact O-CA 3.48Å
43	Q	82.9	Confident	77.3	Confident	37 Å²	37	45.4 Å²	45.4	17%	0.173	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	132.5	177.9	-66	-162.4	10.5	0	0	110.3	L36 L122 D123 V126	L36-Q43 PolarHBondContact N-O 3.18Å; L36-Q43 PolarHBondContact O-N 3.23Å; Q43-L122 HydrophobicContact CG-CD2 4.21Å; Q43-D123 PolarHBondContact NE2-OD1 3.13Å; Q43-V126 HydrophobicContact CB-CG2 4.3Å; Q43-V126 VanDerWaalsContact OE1-CB 3.28Å; Q43-V126 VanDerWaalsContact OE1-CG1 3.29Å
44	I	80.3	Confident	77.9	Confident	129 Å²	129	44 Å²	44	66%	0.662	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	124.4	175.2	-59.7	170.5	0	0	0	108.4	L35	L35-I44 HydrophobicContact CD1-CG1 3.86Å
45	V	79	Confident	77.7	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	155.9	175.2	-67.4	0	0	0	0	110.4	F34 L36 K47 L50 V126 Y130	F34-V45 HydrophobicContact CB-CG2 4.45Å; F34-V45 PolarHBondContact N-O 3.5Å; F34-V45 VanDerWaalsContact O-CG2 3.26Å; F34-V45 WeakPolarHBondContact O-CG2 3.3Å; F34-V45 PolarHBondContact O-N 3.48Å; L36-V45 HydrophobicContact CD1-CG1 4.08Å; L36-V45 HydrophobicContact CD1-CG2 3.83Å; L36-V45 HydrophobicContact CG-CG2 3.72Å; V45-K47 PolarHBondContact O-N 2.84Å; V45-L50 HydrophobicContact CB-CD1 4.47Å; V45-L50 HydrophobicContact CB-CG 4.38Å; V45-L50 HydrophobicContact CG2-CD1 3.3Å; V45-L50 HydrophobicContact CG2-CD2 4.08Å; V45-L50 HydrophobicContact CG2-CG 3.63Å; V45-V126 HydrophobicContact CG1-CG1 3.88Å; V45-V126 HydrophobicContact CG1-CG2 3.94Å; V45-Y130 HydrophobicContact CG1-CE2 4.24Å
46	H	76.5	Confident	77.5	Confident	42 Å²	42	49.8 Å²	49.8	19%	0.194	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	126.7	178.1	-66	80.2	0	0	0	109.8	C48 V49 L50 Y130	H46-C48 PolarHBondContact O-N 2.95Å; H46-C48 VanDerWaalsContact O-N 3.11Å; H46-V49 HydrophobicContact CB-CB 4.22Å; H46-V49 HydrophobicContact CB-CG2 4.05Å; H46-V49 WeakPolarHBondContact O-CB 3.35Å; H46-V49 PolarHBondContact O-N 2.83Å; H46-L50 PolarHBondContact O-N 3.44Å; H46-L50 VanDerWaalsContact O-N 3.13Å; H46-Y130 PolarHBondContact N-OH 2.7Å; H46-Y130 AromaticContact ND1-CZ 3.93Å; H46-Y130 PolarHBondContact ND1-OH 2.61Å
47	K	72.9	Confident	77	Confident	36 Å²	36	49.9 Å²	49.9	16%	0.157	27%	0.266	C	S	.	.	H	α-helix	trans	-54	-34.7	-179.5	-164.6	168.8	-170.7	160.9	0	113.1	C32 F34 V45 V49 R51	C32-K47 PolarHBondContact O-N 2.89Å; C32-K47 VanDerWaalsContact O-N 3.08Å; F34-K47 HydrophobicContact CB-CB 4.18Å; F34-K47 HydrophobicContact CD2-CD 4.18Å; F34-K47 HydrophobicContact CD2-CG 4.27Å; V45-K47 PolarHBondContact O-N 2.84Å; K47-V49 VanDerWaalsContact C-N 3.35Å; K47-V49 PolarHBondContact O-N 3.13Å; K47-R51 WeakPolarHBondContact O-CG 3.26Å; K47-R51 PolarHBondContact O-N 3.34Å; K47-R51 VanDerWaalsContact O-N 3.13Å
48	C	71.5	Confident	76.2	Confident	20 Å²	20	50.1 Å²	50.1	14%	0.135	27%	0.268	C	S	.	.	H	α-helix	trans	-66.4	-35.2	177.7	64.8	0	0	0	0	113.2	L21 Q25 H46 A52	L21-C48 HydrophobicContact CD1-CB 4.17Å; Q25-C48 PolarHBondContact OE1-SG 3.2Å; H46-C48 PolarHBondContact O-N 2.95Å; H46-C48 VanDerWaalsContact O-N 3.11Å; C48-A52 PolarHBondContact O-N 3.5Å
49	V	76	Confident	75.4	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.012	30%	0.295	C	S	.	.	H	α-helix	trans	-75.8	-40.7	-179.2	165.6	0	0	0	0	109.8	C18 H46 K47 R51 A52 V53 I129 Y130	C18-V49 HydrophobicContact CB-CG2 4.29Å; C18-V49 VanDerWaalsContact SG-CG1 3.54Å; H46-V49 HydrophobicContact CB-CB 4.22Å; H46-V49 HydrophobicContact CB-CG2 4.05Å; H46-V49 WeakPolarHBondContact O-CB 3.35Å; H46-V49 PolarHBondContact O-N 2.83Å; K47-V49 VanDerWaalsContact C-N 3.35Å; K47-V49 PolarHBondContact O-N 3.13Å; V49-R51 PolarHBondContact O-N 3.21Å; V49-A52 WeakPolarHBondContact O-CB 3.43Å; V49-A52 PolarHBondContact O-N 3.28Å; V49-V53 WeakPolarHBondContact O-CG2 3.41Å; V49-V53 PolarHBondContact O-N 2.85Å; V49-I129 HydrophobicContact CB-CG2 4.43Å; V49-I129 HydrophobicContact CG1-CG2 3.09Å; V49-Y130 HydrophobicContact CB-CE1 4.47Å; V49-Y130 HydrophobicContact CG1-CD1 4.28Å; V49-Y130 HydrophobicContact CG1-CE1 4.07Å; V49-Y130 HydrophobicContact CG2-CE1 4.12Å
50	L	76.1	Confident	74.9	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-59.3	-45	172.4	-81.8	176.9	0	0	0	112.8	F34 L36 V45 H46 A52 V53 S54 I57 I129	F34-L50 HydrophobicContact CB-CD1 4.13Å; F34-L50 HydrophobicContact CD1-CD1 3.28Å; F34-L50 HydrophobicContact CE1-CD1 3.89Å; F34-L50 HydrophobicContact CG-CD1 3.95Å; L36-L50 HydrophobicContact CD1-CD2 4.04Å; L36-L50 HydrophobicContact CD2-CD1 4.39Å; L36-L50 HydrophobicContact CD2-CD2 4.47Å; L36-L50 HydrophobicContact CG-CD1 4.47Å; V45-L50 HydrophobicContact CB-CD1 4.47Å; V45-L50 HydrophobicContact CB-CG 4.38Å; V45-L50 HydrophobicContact CG2-CD1 3.3Å; V45-L50 HydrophobicContact CG2-CD2 4.08Å; V45-L50 HydrophobicContact CG2-CG 3.63Å; H46-L50 PolarHBondContact O-N 3.44Å; H46-L50 VanDerWaalsContact O-N 3.13Å; L50-A52 VanDerWaalsContact C-N 3.26Å; L50-A52 PolarHBondContact O-N 3.48Å; L50-V53 PolarHBondContact O-N 2.9Å; L50-S54 PolarHBondContact O-N 2.86Å; L50-I57 HydrophobicContact CB-CD1 3.77Å; L50-I57 HydrophobicContact CD1-CD1 4.45Å; L50-I57 HydrophobicContact CD2-CD1 3.76Å; L50-I57 HydrophobicContact CG-CD1 4.2Å; L50-I129 HydrophobicContact CD2-CD1 3.73Å
51	R	73.4	Confident	73.9	Confident	108 Å²	108	48.5 Å²	48.5	41%	0.408	25%	0.251	S	S	.	.	H	α-helix	trans	-60.2	-35.1	176	-77.2	178.4	173.6	-177.5	-8.3	113.2	K47 V49 V53 D58	K47-R51 WeakPolarHBondContact O-CG 3.26Å; K47-R51 PolarHBondContact O-N 3.34Å; K47-R51 VanDerWaalsContact O-N 3.13Å; V49-R51 PolarHBondContact O-N 3.21Å; R51-V53 PolarHBondContact O-N 2.86Å; R51-D58 IonicContact CZ-OD1 3.74Å; R51-D58 IonicContact CZ-OD2 2.66Å; R51-D58 VanDerWaalsContact NE-CG 3.34Å; R51-D58 IonicContact NE-OD1 3.69Å; R51-D58 PolarHBondContact NE-OD1 2.97Å; R51-D58 IonicContact NE-OD2 3.66Å; R51-D58 PolarHBondContact NE-OD2 3.07Å; R51-D58 IonicContact NH2-OD1 3.93Å; R51-D58 PolarHBondContact NH2-OD1 3.26Å; R51-D58 IonicContact NH2-OD2 2.69Å
52	A	74.4	Confident	72.1	Confident	43 Å²	43	49.6 Å²	49.6	36%	0.355	26%	0.258	S	S	.	.	H	α-helix	trans	-68.2	-26.5	176.3	0	0	0	0	0	112.3	P14 I17 C48 V49 L50	P14-A52 HydrophobicContact CB-CB 4.44Å; I17-A52 HydrophobicContact CG2-CB 4.03Å; C48-A52 PolarHBondContact O-N 3.5Å; V49-A52 WeakPolarHBondContact O-CB 3.43Å; V49-A52 PolarHBondContact O-N 3.28Å; L50-A52 VanDerWaalsContact C-N 3.26Å; L50-A52 PolarHBondContact O-N 3.48Å
53	V	77.4	Confident	70.2	Confident	20 Å²	20	50 Å²	50	12%	0.121	27%	0.266	C	S	.	.	H	α-helix	trans	-88.3	-36.8	-179.7	174.5	0	0	0	0	112.2	P14 V49 L50 R51 Y128 I129 I153	P14-V53 HydrophobicContact CB-CG2 4.35Å; P14-V53 HydrophobicContact CG-CG2 3.89Å; V49-V53 WeakPolarHBondContact O-CG2 3.41Å; V49-V53 PolarHBondContact O-N 2.85Å; L50-V53 PolarHBondContact O-N 2.9Å; R51-V53 PolarHBondContact O-N 2.86Å; V53-Y128 HydrophobicContact CG1-CE1 3.94Å; V53-I129 HydrophobicContact CG1-CG1 4.42Å; V53-I129 HydrophobicContact CG2-CB 4.41Å; V53-I129 HydrophobicContact CG2-CG1 4.17Å; V53-I129 HydrophobicContact CG2-CG2 4.22Å; V53-I153 HydrophobicContact CG1-CD1 3.49Å; V53-I153 VanDerWaalsContact CG1-CD1 3.49Å; V53-I153 HydrophobicContact CG1-CG1 4.08Å
54	S	78.1	Confident	67.9	Low	5 Å²	5	55.7 Å²	55.7	4%	0.035	29%	0.292	C	S	.	.			trans	-148	124.9	-178.5	173	0	0	0	0	112.1	L50 K56 L151	L50-S54 PolarHBondContact O-N 2.86Å; S54-K56 VanDerWaalsContact C-N 3.3Å; S54-K56 PolarHBondContact OG-N 2.97Å; S54-L151 VanDerWaalsContact CB-O 3.25Å; S54-L151 WeakPolarHBondContact CB-O 3.23Å; S54-L151 PolarHBondContact OG-O 3.24Å
55	T	71.3	Confident	65.6	Low	103 Å²	103	58 Å²	58	63%	0.632	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-20.3	172.3	54.7	0	0	0	0	112.7	I57 D58	T55-I57 PolarHBondContact O-N 3.39Å; T55-D58 PolarHBondContact O-N 3.36Å
56	K	75.4	Confident	63.1	Low	62 Å²	62	64.7 Å²	64.7	27%	0.27	34%	0.336	S	S	.	.	H	α-helix	trans	-66.6	-26.5	177.6	-87	-166.3	176.3	175.7	0	112.7	S54 D58 Q59 F60 L150 N152	S54-K56 VanDerWaalsContact C-N 3.3Å; S54-K56 PolarHBondContact OG-N 2.97Å; K56-D58 PolarHBondContact O-N 3.42Å; K56-Q59 WeakPolarHBondContact O-CA 3.08Å; K56-Q59 WeakPolarHBondContact O-CB 3.31Å; K56-Q59 PolarHBondContact O-N 3.23Å; K56-F60 HydrophobicContact CB-CD2 4.24Å; K56-F60 HydrophobicContact CB-CE2 3.95Å; K56-F60 HydrophobicContact CD-CE2 4.24Å; K56-F60 WeakPolarHBondContact O-CD2 3.4Å; K56-F60 PolarHBondContact O-N 3.03Å; K56-L150 WeakPolarHBondContact CD-O 3.49Å; K56-N152 HydrophobicContact CD-CB 3.72Å; K56-N152 HydrophobicContact CG-CB 4.08Å
57	I	71	Confident	60.9	Low	3 Å²	3	69.5 Å²	69.5	2%	0.015	37%	0.368	C	S	.	.	H	α-helix	trans	-59.3	-36.1	179.6	-65.8	175.3	0	0	0	110.9	L50 T55 Q59 F60 C61 L151	L50-I57 HydrophobicContact CB-CD1 3.77Å; L50-I57 HydrophobicContact CD1-CD1 4.45Å; L50-I57 HydrophobicContact CD2-CD1 3.76Å; L50-I57 HydrophobicContact CG-CD1 4.2Å; T55-I57 PolarHBondContact O-N 3.39Å; I57-Q59 VanDerWaalsContact C-N 3.34Å; I57-Q59 PolarHBondContact O-N 2.95Å; I57-F60 PolarHBondContact O-N 3.5Å; I57-C61 WeakPolarHBondContact O-CB 2.95Å; I57-C61 PolarHBondContact O-N 3.1Å; I57-C61 PolarHBondContact O-SG 3.2Å; I57-L151 HydrophobicContact CD1-CD2 4.29Å; I57-L151 HydrophobicContact CG1-CD2 3.8Å
58	D	64.5	Low	58.7	Low	47 Å²	47	76.2 Å²	76.2	25%	0.251	40%	0.4	S	S	.	.	H	α-helix	trans	-68.5	-32.8	175.4	-79.4	-33.8	0	0	0	112.7	R51 T55 K56 C61 M62	R51-D58 IonicContact CZ-OD1 3.74Å; R51-D58 IonicContact CZ-OD2 2.66Å; R51-D58 VanDerWaalsContact NE-CG 3.34Å; R51-D58 IonicContact NE-OD1 3.69Å; R51-D58 PolarHBondContact NE-OD1 2.97Å; R51-D58 IonicContact NE-OD2 3.66Å; R51-D58 PolarHBondContact NE-OD2 3.07Å; R51-D58 IonicContact NH2-OD1 3.93Å; R51-D58 PolarHBondContact NH2-OD1 3.26Å; R51-D58 IonicContact NH2-OD2 2.69Å; T55-D58 PolarHBondContact O-N 3.36Å; K56-D58 PolarHBondContact O-N 3.42Å; D58-C61 PolarHBondContact O-N 3.16Å; D58-M62 VanDerWaalsContact O-CB 3.31Å; D58-M62 WeakPolarHBondContact O-CB 3.25Å; D58-M62 WeakPolarHBondContact O-CG 3.41Å; D58-M62 PolarHBondContact O-N 3.28Å
59	Q	65.8	Low	56.4	Low	129 Å²	129	80.8 Å²	80.8	60%	0.603	43%	0.431	S	S	*	.	H	α-helix	trans	-67	-42.9	174.3	-61.9	177	-13.1	0	0	110.8	K56 I57 C61 M62 A63	K56-Q59 WeakPolarHBondContact O-CA 3.08Å; K56-Q59 WeakPolarHBondContact O-CB 3.31Å; K56-Q59 PolarHBondContact O-N 3.23Å; I57-Q59 VanDerWaalsContact C-N 3.34Å; I57-Q59 PolarHBondContact O-N 2.95Å; Q59-C61 VanDerWaalsContact C-N 3.34Å; Q59-C61 PolarHBondContact O-N 3.27Å; Q59-M62 PolarHBondContact O-N 3.44Å; Q59-A63 PolarHBondContact O-N 3.08Å; Q59-A63 VanDerWaalsContact O-N 3.1Å
60	F	63	Low	54.1	Low	52 Å²	52	88.7 Å²	88.7	23%	0.228	47%	0.472	C	S	.	.	H	α-helix	trans	-67.4	-33.5	175.9	-68.7	-62.4	0	0	0	112.9	K56 I57 M62 I83 F112 L150	K56-F60 HydrophobicContact CB-CD2 4.24Å; K56-F60 HydrophobicContact CB-CE2 3.95Å; K56-F60 HydrophobicContact CD-CE2 4.24Å; K56-F60 WeakPolarHBondContact O-CD2 3.4Å; K56-F60 PolarHBondContact O-N 3.03Å; I57-F60 PolarHBondContact O-N 3.5Å; F60-M62 VanDerWaalsContact C-N 3.29Å; F60-M62 PolarHBondContact O-N 3.25Å; F60-I83 HydrophobicContact CB-CD1 4.18Å; F60-I83 WeakPolarHBondContact O-CD1 3.2Å; F60-F112 HydrophobicContact CB-CD2 4.28Å; F60-F112 HydrophobicContact CB-CE2 3.71Å; F60-F112 HydrophobicContact CD1-CE2 4.34Å; F60-F112 AromaticContact CD2-CE2 3.95Å; F60-F112 HydrophobicContact CD2-CE2 3.95Å; F60-F112 HydrophobicContact CD2-CZ 4.11Å; F60-F112 HydrophobicContact CE2-CZ 4.47Å; F60-F112 AromaticContact CG-CE2 3.76Å; F60-F112 HydrophobicContact CG-CE2 3.76Å; F60-F112 HydrophobicContact CG-CZ 4.32Å; F60-L150 HydrophobicContact CZ-CD1 4.09Å
61	C	56.9	Low	51.6	Low	14 Å²	14	93.9 Å²	93.9	10%	0.095	50%	0.504	C	S	.	.	H	α-helix	trans	-75.1	-14.5	177	-67	0	0	0	0	113.9	I57 D58 Q59	I57-C61 WeakPolarHBondContact O-CB 2.95Å; I57-C61 PolarHBondContact O-N 3.1Å; I57-C61 PolarHBondContact O-SG 3.2Å; D58-C61 PolarHBondContact O-N 3.16Å; Q59-C61 VanDerWaalsContact C-N 3.34Å; Q59-C61 PolarHBondContact O-N 3.27Å
62	M	46.2	Very low	49.3	Very low	120 Å²	120	95.9 Å²	95.9	59%	0.591	52%	0.523	S	S	*	.	H	α-helix	trans	-118.5	-6.6	-172	-63	-72.3	167.1	0	0	114.2	D58 Q59 F60 E64	D58-M62 VanDerWaalsContact O-CB 3.31Å; D58-M62 WeakPolarHBondContact O-CB 3.25Å; D58-M62 WeakPolarHBondContact O-CG 3.41Å; D58-M62 PolarHBondContact O-N 3.28Å; Q59-M62 PolarHBondContact O-N 3.44Å; F60-M62 VanDerWaalsContact C-N 3.29Å; F60-M62 PolarHBondContact O-N 3.25Å; M62-E64 PolarHBondContact O-N 3.36Å; M62-E64 VanDerWaalsContact O-N 3.16Å
63	A	41.7	Very low	47.1	Very low	77 Å²	77	101.3 Å²	101.3	64%	0.636	54%	0.544	S	S	*	.			trans	-69.8	111.2	-177.4	0	0	0	0	0	111.6	Q59	Q59-A63 PolarHBondContact O-N 3.08Å; Q59-A63 VanDerWaalsContact O-N 3.1Å
64	E	34.2	Very low	44.7	Very low	157 Å²	157	108.3 Å²	108.3	73%	0.734	58%	0.581	S	S	*	*			trans	-66.5	138.8	169.6	-67.2	-177	147.5	0	0	110.6	M62 N66	M62-E64 PolarHBondContact O-N 3.36Å; M62-E64 VanDerWaalsContact O-N 3.16Å; E64-N66 VanDerWaalsContact C-N 3.32Å; E64-N66 PolarHBondContact O-N 2.92Å
65	E	31.5	Very low	42.3	Very low	177 Å²	177	113.4 Å²	113.4	83%	0.827	62%	0.615	S	S	*	*	S	Bend	trans	-62.1	90.9	167.6	-72	174.7	162.3	0	0	109.6
66	N	26.7	Very low	40.2	Very low	140 Å²	140	112.6 Å²	112.6	75%	0.749	61%	0.614	S	S	*	*			trans	-151.3	74.3	161.4	-84.1	-34.3	0	0	0	108.3	E64	E64-N66 VanDerWaalsContact C-N 3.32Å; E64-N66 PolarHBondContact O-N 2.92Å
67	V	30.5	Very low	38	Very low	144 Å²	144	119.1 Å²	119.1	87%	0.873	64%	0.642	S	S	*	*			trans	-95.4	85	162.5	-178.2	0	0	0	0	106.8
68	E	27.3	Very low	36.2	Very low	177 Å²	177	123.7 Å²	123.7	83%	0.827	66%	0.663	S	S	*	*			trans	-66.1	136.4	155.5	-81.4	-175.8	153.1	0	0	108.6	L70	E68-L70 PolarHBondContact O-N 3.44Å; E68-L70 VanDerWaalsContact O-N 3.09Å
69	C	23.9	Very low	34.8	Very low	115 Å²	115	126.2 Å²	126.2	78%	0.777	68%	0.677	S	S	*	*			trans	-31	105.4	176.7	-80.5	0	0	0	0	115.1
70	L	26.1	Very low	33.4	Very low	169 Å²	169	126 Å²	126	89%	0.885	68%	0.68	S	S	*	*			trans	-99.1	81.6	144.7	-81.6	155.6	0	0	0	107.1	E68 D72	E68-L70 PolarHBondContact O-N 3.44Å; E68-L70 VanDerWaalsContact O-N 3.09Å; L70-D72 VanDerWaalsContact C-N 3.33Å; L70-D72 PolarHBondContact O-N 2.88Å
71	T	25.4	Very low	32.3	Very low	110 Å²	110	127.3 Å²	127.3	68%	0.675	69%	0.689	S	S	*	*			trans	-62	99.4	157	46	0	0	0	0	107.1
72	D	24.8	Very low	31.6	Very low	150 Å²	150	130.5 Å²	130.5	80%	0.802	71%	0.707	S	S	*	*			trans	159.2	78.9	148	-80.1	-18.9	0	0	0	108.5	L70	L70-D72 VanDerWaalsContact C-N 3.33Å; L70-D72 PolarHBondContact O-N 2.88Å
73	I	28.3	Very low	31.3	Very low	156 Å²	156	126.8 Å²	126.8	80%	0.8	69%	0.69	S	S	*	*			trans	-168.2	120.7	148.3	-84.8	134.1	0	0	0	105.2	C75	I73-C75 PolarHBondContact O-N 3.03Å
74	N	25.2	Very low	31.1	Very low	167 Å²	167	125.3 Å²	125.3	89%	0.893	67%	0.674	S	S	*	*			trans	-61.5	83.5	171.4	-93.7	-28.8	0	0	0	109.9	S76	N74-S76 VanDerWaalsContact C-N 3.35Å; N74-S76 PolarHBondContact O-N 2.74Å
75	C	28.4	Very low	31	Very low	112 Å²	112	123.8 Å²	123.8	76%	0.757	67%	0.671	S	S	*	*			trans	-95.3	71.4	165.5	-133.1	0	0	0	0	107.4	I73 K77	I73-C75 PolarHBondContact O-N 3.03Å; C75-K77 PolarHBondContact O-N 2.92Å; C75-K77 VanDerWaalsContact O-N 3.07Å
76	S	28.1	Very low	31	Very low	86 Å²	86	119.2 Å²	119.2	60%	0.601	66%	0.659	S	S	*	*			trans	-73.3	99.5	175	53.8	0	0	0	0	109.9	N74	N74-S76 VanDerWaalsContact C-N 3.35Å; N74-S76 PolarHBondContact O-N 2.74Å
77	K	29.5	Very low	31	Very low	200 Å²	200	121 Å²	121	87%	0.87	67%	0.665	S	S	*	*	S	Bend	trans	46	78.7	145.3	-61.5	-179.6	177	179.4	0	116.3	C75	C75-K77 PolarHBondContact O-N 2.92Å; C75-K77 VanDerWaalsContact O-N 3.07Å
78	Q	32.8	Very low	30.9	Very low	98 Å²	98	122.3 Å²	122.3	46%	0.458	67%	0.667	S	S	.	*			trans	-156.5	0.4	160.4	-117.8	156.7	19.3	0	0	119.8	R116 I182	Q78-R116 PolarHBondContact O-NH1 2.95Å; Q78-I182 VanDerWaalsContact OE1-CD1 3.28Å
79	N	34.7	Very low	30.8	Very low	101 Å²	101	119.2 Å²	119.2	54%	0.54	66%	0.664	S	S	.	*			trans	-132	91.2	174.9	-75.8	-27.8	0	0	0	111.4	I81	N79-I81 PolarHBondContact O-N 3.17Å
80	D	37.1	Very low	30.9	Very low	124 Å²	124	123.7 Å²	123.7	66%	0.663	67%	0.666	S	S	*	*			trans	-76.7	101.1	173	-69.1	-35.3	0	0	0	109.4
81	I	38.4	Very low	31.1	Very low	80 Å²	80	123.7 Å²	123.7	41%	0.41	67%	0.666	S	S	.	*			trans	-95.7	121.5	171.2	-59.9	168.8	0	0	0	107.2	N79 L150	N79-I81 PolarHBondContact O-N 3.17Å; I81-L150 HydrophobicContact CD1-CD1 3.79Å
82	V	42.4	Very low	31.3	Very low	80 Å²	80	124.8 Å²	124.8	49%	0.485	67%	0.668	S	S	.	*			trans	-124.9	125.3	178.3	-177.1	0	0	0	0	109.5	Y113	V82-Y113 WeakPolarHBondContact O-CB 3.36Å
83	I	41.2	Very low	31.6	Very low	43 Å²	43	123.9 Å²	123.9	22%	0.221	66%	0.663	C	S	.	*			trans	-109.5	103.4	173.3	-48.4	179.5	0	0	0	107.5	F60 K109	F60-I83 HydrophobicContact CB-CD1 4.18Å; F60-I83 WeakPolarHBondContact O-CD1 3.2Å; I83-K109 HydrophobicContact CB-CD 4.3Å; I83-K109 HydrophobicContact CG2-CB 4.15Å; I83-K109 HydrophobicContact CG2-CD 3.48Å; I83-K109 VanDerWaalsContact CG2-CD 3.48Å; I83-K109 HydrophobicContact CG2-CG 4.44Å
84	S	36.2	Very low	31.7	Very low	45 Å²	45	122.6 Å²	122.6	32%	0.315	66%	0.658	S	S	.	*			trans	-104.2	138.7	-171.9	55	0	0	0	0	113.2	S111	S84-S111 PolarHBondContact O-OG 3Å
85	D	32.9	Very low	32	Very low	125 Å²	125	121 Å²	121	67%	0.668	65%	0.65	S	S	*	*			trans	-83.9	121.3	167	-69.9	-33.9	0	0	0	109	K109	D85-K109 WeakPolarHBondContact OD1-CG 3.17Å
86	S	30.7	Very low	32.3	Very low	82 Å²	82	122 Å²	122	57%	0.573	65%	0.648	S	S	*	*			trans	-133.8	92.7	173.1	62	0	0	0	0	111.8
87	M	27.5	Very low	32.5	Very low	178 Å²	178	124.6 Å²	124.6	88%	0.877	66%	0.655	S	S	*	*			trans	-174.7	103.2	146.4	-105.3	172.3	-177.5	0	0	108.5
88	N	27.7	Very low	32.8	Very low	171 Å²	171	122.4 Å²	122.4	91%	0.914	65%	0.652	S	S	*	*			trans	-150.1	90.5	149.5	-98	-17.2	0	0	0	108.1
89	C	25.8	Very low	32.7	Very low	111 Å²	111	125.3 Å²	125.3	75%	0.75	67%	0.671	S	S	*	*			trans	-70.8	128.4	161.3	-72.8	0	0	0	0	108.5
90	Y	26	Very low	32.6	Very low	210 Å²	210	128.8 Å²	128.8	82%	0.824	68%	0.684	S	S	*	*			trans	35.4	114.9	151.1	-61.8	-84.5	0	0	0	118.1
91	D	31.1	Very low	32.2	Very low	168 Å²	168	129.9 Å²	129.9	90%	0.898	69%	0.694	S	S	*	*				-159.3	144.9	118.2	-103.4	-29.7	0	0	0	114.3
92	N	28.6	Very low	31.8	Very low	134 Å²	134	130.4 Å²	130.4	72%	0.717	71%	0.706	S	S	*	*			trans	-72.5	153.7	-171.6	-86.6	-46.3	0	0	0	114.2
93	N	30.2	Very low	31.1	Very low	130 Å²	130	134.3 Å²	134.3	70%	0.695	72%	0.724	S	S	*	*			trans	77.9	123	140.3	-72.1	-16.9	0	0	0	121.1
94	N	31.6	Very low	30.6	Very low	130 Å²	130	138 Å²	138	70%	0.695	75%	0.748	S	S	*	*			trans	85.9	106.3	133.5	-69.2	-11.3	0	0	0	119.5
95	N	31.3	Very low	30.4	Very low	133 Å²	133	142.4 Å²	142.4	71%	0.711	77%	0.773	S	S	*	*				78.7	135.3	123.1	-77.4	2.9	0	0	0	120.7
96	D	35.2	Very low	30.4	Very low	134 Å²	134	145.2 Å²	145.2	72%	0.717	78%	0.779	S	S	*	*			trans	87	95.6	149.7	-58.8	-25.6	0	0	0	118.5
97	N	32.3	Very low	30.6	Very low	140 Å²	140	149.9 Å²	149.9	75%	0.749	79%	0.792	S	S	*	*				30.1	105	122.1	-67.3	-26.7	0	0	0	116.2
98	N	34.2	Very low	31.7	Very low	153 Å²	153	145 Å²	145	82%	0.818	77%	0.774	S	S	*	*				173.4	142.7	109.9	-88.7	-37.4	0	0	0	111.6	H100	N98-H100 PolarHBondContact O-N 2.92Å
99	N	30.6	Very low	33.2	Very low	160 Å²	160	139.7 Å²	139.7	86%	0.856	74%	0.742	S	S	*	*			trans	-43	116.2	174.6	-71.9	-35.8	0	0	0	113.3
100	H	33.4	Very low	35.2	Very low	173 Å²	173	138.4 Å²	138.4	80%	0.801	73%	0.728	S	S	*	*			trans	-138.8	110.7	154.3	-103.6	-64.3	0	0	0	110.1	N98 S102	N98-H100 PolarHBondContact O-N 2.92Å; H100-S102 PolarHBondContact O-N 3.45Å; H100-S102 VanDerWaalsContact O-N 3.13Å
101	V	29.3	Very low	37.4	Very low	147 Å²	147	128.7 Å²	128.7	89%	0.891	69%	0.691	S	S	*	*			trans	-51.1	113.2	163.5	176.8	0	0	0	0	107.9
102	S	30.7	Very low	39.6	Very low	92 Å²	92	120.8 Å²	120.8	64%	0.643	65%	0.649	S	S	*	*			trans	-136.6	121	172.1	51.3	0	0	0	0	109.3	H100 T104	H100-S102 PolarHBondContact O-N 3.45Å; H100-S102 VanDerWaalsContact O-N 3.13Å; S102-T104 PolarHBondContact O-N 2.88Å; S102-T104 VanDerWaalsContact O-N 3.12Å
103	N	26.2	Very low	42	Very low	162 Å²	162	116.9 Å²	116.9	87%	0.866	62%	0.624	S	S	*	*			trans	-54.2	108.3	172.7	-75.8	-28.8	0	0	0	110
104	T	31.7	Very low	44	Very low	120 Å²	120	110.8 Å²	110.8	74%	0.736	59%	0.592	S	S	*	*			trans	-91.4	106	171.3	41.3	0	0	0	0	109.8	S102 K106	S102-T104 PolarHBondContact O-N 2.88Å; S102-T104 VanDerWaalsContact O-N 3.12Å; T104-K106 PolarHBondContact O-N 3.47Å
105	V	31.5	Very low	45.7	Very low	138 Å²	138	105.9 Å²	105.9	84%	0.836	57%	0.572	S	S	*	*			trans	-60.3	109.4	164.7	177.6	0	0	0	0	107.8
106	K	33.2	Very low	47.4	Very low	184 Å²	184	106.1 Å²	106.1	80%	0.8	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-70.5	128	178.9	-71.5	-178.2	177.8	179.1	0	110.5	T104	T104-K106 PolarHBondContact O-N 3.47Å
107	Q	34.9	Very low	49.6	Very low	179 Å²	179	100.3 Å²	100.3	84%	0.836	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-75.3	149	179.2	-71.2	-167.7	0.8	0	0	111.8
108	P	50.5	Low	52.1	Low	76 Å²	76	95.2 Å²	95.2	49%	0.494	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-69.7	129.6	179.9	27.6	-33.4	0	0	0	111.7
109	K	58.7	Low	54.6	Low	59 Å²	59	89.4 Å²	89.4	26%	0.257	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-60.1	137	175.6	-57.1	-167.4	174.8	-178.9	0	110.8	F34 I83 D85	F34-K109 WeakPolarHBondContact CE2-O 3.44Å; I83-K109 HydrophobicContact CB-CD 4.3Å; I83-K109 HydrophobicContact CG2-CB 4.15Å; I83-K109 HydrophobicContact CG2-CD 3.48Å; I83-K109 VanDerWaalsContact CG2-CD 3.48Å; I83-K109 HydrophobicContact CG2-CG 4.44Å; D85-K109 WeakPolarHBondContact OD1-CG 3.17Å
110	N	68.1	Low	57.4	Low	84 Å²	84	86.2 Å²	86.2	45%	0.449	46%	0.459	S	S	.	.			trans	-116.6	11.5	-172.2	-82	-13.4	0	0	0	114.7	F34 L35	F34-N110 WeakPolarHBondContact CA-O 3.46Å; L35-N110 PolarHBondContact N-O 3.17Å
111	S	72.6	Confident	60	Low	6 Å²	6	78 Å²	78	4%	0.042	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	155.7	174.8	67.1	0	0	0	0	111	L35 S84	L35-S111 CarbonylContact O-C 3.53Å; L35-S111 VanDerWaalsContact O-CA 3.23Å; L35-S111 WeakPolarHBondContact O-CA 3.35Å; S84-S111 PolarHBondContact O-OG 3Å
112	F	77	Confident	62.8	Low	3 Å²	3	71 Å²	71	1%	0.013	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	118.1	172	-173.5	-99.7	0	0	0	109.8	F34 L35 L36 E37 F60 L114 L150 L151	F34-F112 HydrophobicContact CE1-CB 3.44Å; F34-F112 VanDerWaalsContact CE1-CB 3.44Å; F34-F112 HydrophobicContact CZ-CB 3.81Å; L35-F112 PolarHBondContact O-N 2.78Å; L36-F112 WeakPolarHBondContact CA-O 3.3Å; L36-F112 HydrophobicContact CD2-CB 4.18Å; L36-F112 HydrophobicContact CD2-CD1 4.13Å; E37-F112 PolarHBondContact N-O 2.81Å; F60-F112 HydrophobicContact CB-CD2 4.28Å; F60-F112 HydrophobicContact CB-CE2 3.71Å; F60-F112 HydrophobicContact CD1-CE2 4.34Å; F60-F112 AromaticContact CD2-CE2 3.95Å; F60-F112 HydrophobicContact CD2-CE2 3.95Å; F60-F112 HydrophobicContact CD2-CZ 4.11Å; F60-F112 HydrophobicContact CE2-CZ 4.47Å; F60-F112 AromaticContact CG-CE2 3.76Å; F60-F112 HydrophobicContact CG-CE2 3.76Å; F60-F112 HydrophobicContact CG-CZ 4.32Å; F112-L114 HydrophobicContact CD1-CD2 4.1Å; F112-L114 HydrophobicContact CD1-CG 4.01Å; F112-L114 HydrophobicContact CE1-CD2 3.61Å; F112-L114 HydrophobicContact CE1-CG 4.03Å; F112-L150 HydrophobicContact CE1-CD2 4.22Å; F112-L150 HydrophobicContact CZ-CD2 4.25Å; F112-L151 HydrophobicContact CE1-CD2 4.01Å; F112-L151 HydrophobicContact CZ-CD2 4.18Å
113	Y	78.7	Confident	65.5	Low	52 Å²	52	69.2 Å²	69.2	20%	0.204	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	113.6	178.7	-174.2	-105.9	0	0	0	110.6	E37 E39 V82 G115	E37-Y113 HydrophobicContact CB-CD2 3.86Å; E37-Y113 CarbonylContact O-C 3.55Å; E37-Y113 WeakPolarHBondContact O-CA 3Å; E39-Y113 WeakPolarHBondContact CG-OH 3.31Å; V82-Y113 WeakPolarHBondContact O-CB 3.36Å; Y113-G115 VanDerWaalsContact CE1-CA 3.47Å; Y113-G115 PolarHBondContact O-N 2.74Å
114	L	73.5	Confident	68.5	Low	2 Å²	2	62 Å²	62	1%	0.01	32%	0.323	C	S	.	.			trans	-86.2	92.4	168.5	-70.7	163.1	0	0	0	107.7	L36 E37 F112 I117 L122 F125 I147 L150	L36-L114 HydrophobicContact CD2-CD1 4.13Å; E37-L114 PolarHBondContact O-N 3.41Å; F112-L114 HydrophobicContact CD1-CD2 4.1Å; F112-L114 HydrophobicContact CD1-CG 4.01Å; F112-L114 HydrophobicContact CE1-CD2 3.61Å; F112-L114 HydrophobicContact CE1-CG 4.03Å; L114-I117 HydrophobicContact CB-CD1 3.57Å; L114-I117 HydrophobicContact CB-CG1 4.1Å; L114-I117 HydrophobicContact CD1-CD1 3.9Å; L114-I117 HydrophobicContact CG-CD1 4.33Å; L114-L122 HydrophobicContact CD1-CD1 3.92Å; L114-F125 HydrophobicContact CD1-CD1 4.3Å; L114-F125 HydrophobicContact CD1-CE1 4.42Å; L114-I147 HydrophobicContact CD2-CG1 4.37Å; L114-L150 HydrophobicContact CD2-CD2 3.73Å
115	G	65.7	Low	71.2	Confident	27 Å²	27	56.2 Å²	56.2	28%	0.278	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	145.5	-179.6	0	0	0	0	0	113.3	Y113 I117	Y113-G115 VanDerWaalsContact CE1-CA 3.47Å; Y113-G115 PolarHBondContact O-N 2.74Å; G115-I117 PolarHBondContact O-N 2.87Å
116	R	68.2	Low	73.9	Confident	137 Å²	137	50.3 Å²	50.3	52%	0.517	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	36.9	172.5	-60	-174.5	176.5	173.4	0.9	116.4	Q78	Q78-R116 PolarHBondContact O-NH1 2.95Å
117	I	81.8	Confident	76.5	Confident	13 Å²	13	46.4 Å²	46.4	7%	0.067	24%	0.235	C	C	.	.			trans	-112.8	146.1	167.7	69.6	171.4	0	0	0	111	C38 L114 G115 T121 L122 E143 I147	C38-I117 HydrophobicContact CB-CD1 4.27Å; C38-I117 HydrophobicContact CB-CG1 3.61Å; L114-I117 HydrophobicContact CB-CD1 3.57Å; L114-I117 HydrophobicContact CB-CG1 4.1Å; L114-I117 HydrophobicContact CD1-CD1 3.9Å; L114-I117 HydrophobicContact CG-CD1 4.33Å; G115-I117 PolarHBondContact O-N 2.87Å; I117-T121 HydrophobicContact CB-CG2 4.22Å; I117-L122 HydrophobicContact CD1-CB 3.95Å; I117-L122 HydrophobicContact CD1-CD1 4.07Å; I117-E143 HydrophobicContact CB-CB 4.46Å; I117-E143 HydrophobicContact CG2-CB 4.16Å; I117-I147 HydrophobicContact CD1-CD1 3.83Å; I117-I147 HydrophobicContact CG2-CD1 4.14Å; I117-I147 HydrophobicContact CG2-CG1 4.19Å
118	S	84.4	Confident	78.9	Confident	33 Å²	33	38.1 Å²	38.1	23%	0.231	20%	0.196	C	C	.	.			trans	-69.8	153.8	174	67.8	0	0	0	0	111.7	K120 T121 L122 E143	S118-K120 PolarHBondContact O-N 3.25Å; S118-K120 VanDerWaalsContact O-N 3.16Å; S118-T121 PolarHBondContact O-N 3.43Å; S118-T121 VanDerWaalsContact O-N 3.07Å; S118-T121 PolarHBondContact OG-N 3.24Å; S118-T121 PolarHBondContact OG-OG1 2.97Å; S118-T121 VanDerWaalsContact OG-OG1 3.08Å; S118-L122 PolarHBondContact O-N 3.48Å; S118-E143 WeakPolarHBondContact CB-OE2 3.23Å; S118-E143 PolarHBondContact N-OE2 3.45Å; S118-E143 PolarHBondContact OG-OE2 2.9Å
119	A	86.2	Confident	80.5	Confident	31 Å²	31	34.5 Å²	34.5	26%	0.256	17%	0.173	S	C	.	.	H	α-helix	trans	-54.9	-33.1	173.3	0	0	0	0	0	112.4	H41 L122 D123	H41-A119 HydrophobicContact CB-CB 3.8Å; A119-L122 PolarHBondContact O-N 3.02Å; A119-D123 PolarHBondContact O-N 3.42Å
120	K	88.4	Confident	81.6	Confident	93 Å²	93	35 Å²	35	40%	0.404	17%	0.173	S	C	.	.	H	α-helix	trans	-67	-42.2	177	-175.5	-178.3	173	-167.4	0	112.1	S118 D123 T124 D137 T140	S118-K120 PolarHBondContact O-N 3.25Å; S118-K120 VanDerWaalsContact O-N 3.16Å; K120-D123 PolarHBondContact O-N 2.84Å; K120-T124 WeakPolarHBondContact O-CB 3.13Å; K120-T124 PolarHBondContact O-N 2.63Å; K120-T124 PolarHBondContact O-OG1 3.17Å; K120-D137 VanDerWaalsContact CE-OD2 3.27Å; K120-D137 WeakPolarHBondContact CE-OD2 3.39Å; K120-D137 IonicContact NZ-OD1 2.78Å; K120-D137 IonicContact NZ-OD2 3.13Å; K120-D137 PolarHBondContact NZ-OD2 2.83Å; K120-T140 HydrophobicContact CD-CG2 4.11Å; K120-T140 HydrophobicContact CG-CG2 4.1Å
121	T	88.8	Confident	82.3	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-42.7	174.8	-65.1	0	0	0	0	111.1	I117 S118 D123 T124 F125 T140 E143 L144 I147	I117-T121 HydrophobicContact CB-CG2 4.22Å; S118-T121 PolarHBondContact O-N 3.43Å; S118-T121 VanDerWaalsContact O-N 3.07Å; S118-T121 PolarHBondContact OG-N 3.24Å; S118-T121 PolarHBondContact OG-OG1 2.97Å; S118-T121 VanDerWaalsContact OG-OG1 3.08Å; T121-D123 PolarHBondContact O-N 3.44Å; T121-T124 PolarHBondContact O-N 3.29Å; T121-F125 WeakPolarHBondContact O-CB 3.26Å; T121-F125 PolarHBondContact O-N 2.79Å; T121-T140 WeakPolarHBondContact OG1-CG2 3.5Å; T121-E143 WeakPolarHBondContact CB-OE2 3.36Å; T121-E143 HydrophobicContact CG2-CB 3.6Å; T121-E143 PolarHBondContact OG1-OE2 3.46Å; T121-L144 HydrophobicContact CG2-CD2 3.73Å; T121-L144 HydrophobicContact CG2-CG 3.98Å; T121-I147 HydrophobicContact CG2-CD1 3.62Å
122	L	88.3	Confident	82.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.3	-48	175.8	-177.7	65.6	0	0	0	111.2	L36 C38 H41 Q43 L114 I117 S118 A119 T124 F125 V126	L36-L122 HydrophobicContact CB-CD1 4.02Å; L36-L122 HydrophobicContact CD1-CD1 4.42Å; C38-L122 HydrophobicContact CB-CD2 4.42Å; H41-L122 HydrophobicContact CB-CD2 4.18Å; Q43-L122 HydrophobicContact CG-CD2 4.21Å; L114-L122 HydrophobicContact CD1-CD1 3.92Å; I117-L122 HydrophobicContact CD1-CB 3.95Å; I117-L122 HydrophobicContact CD1-CD1 4.07Å; S118-L122 PolarHBondContact O-N 3.48Å; A119-L122 PolarHBondContact O-N 3.02Å; L122-T124 VanDerWaalsContact C-N 3.34Å; L122-T124 PolarHBondContact O-N 3.49Å; L122-F125 PolarHBondContact O-N 3.38Å; L122-V126 HydrophobicContact CD1-CG2 4.44Å; L122-V126 WeakPolarHBondContact O-CG2 3.38Å; L122-V126 PolarHBondContact O-N 3.21Å
123	D	88.3	Confident	83.1	Confident	54 Å²	54	39.9 Å²	39.9	29%	0.289	19%	0.191	S	C	.	.	H	α-helix	trans	-62.7	-39.2	177.5	-176.5	58.2	0	0	0	112.6	Q43 A119 K120 T121 V126 K127	Q43-D123 PolarHBondContact NE2-OD1 3.13Å; A119-D123 PolarHBondContact O-N 3.42Å; K120-D123 PolarHBondContact O-N 2.84Å; T121-D123 PolarHBondContact O-N 3.44Å; D123-V126 PolarHBondContact O-N 3.01Å; D123-K127 WeakPolarHBondContact O-CB 3.31Å; D123-K127 VanDerWaalsContact O-CG 3.26Å; D123-K127 WeakPolarHBondContact O-CG 3.48Å; D123-K127 PolarHBondContact O-N 3.39Å; D123-K127 WeakPolarHBondContact OD2-CE 3.14Å; D123-K127 IonicContact OD2-NZ 3.17Å; D123-K127 PolarHBondContact OD2-NZ 2.76Å
124	T	88.5	Confident	83.5	Confident	10 Å²	10	37.4 Å²	37.4	6%	0.061	18%	0.182	C	C	.	.	H	α-helix	trans	-65.3	-41.1	176	-56.7	0	0	0	0	111.4	K120 T121 L122 K127 Y128 I134 T135 L144	K120-T124 WeakPolarHBondContact O-CB 3.13Å; K120-T124 PolarHBondContact O-N 2.63Å; K120-T124 PolarHBondContact O-OG1 3.17Å; T121-T124 PolarHBondContact O-N 3.29Å; L122-T124 VanDerWaalsContact C-N 3.34Å; L122-T124 PolarHBondContact O-N 3.49Å; T124-K127 WeakPolarHBondContact O-CB 3.36Å; T124-K127 PolarHBondContact O-N 2.87Å; T124-Y128 PolarHBondContact O-N 3.2Å; T124-I134 HydrophobicContact CG2-CG1 4.14Å; T124-T135 WeakPolarHBondContact CG2-O 3.02Å; T124-L144 HydrophobicContact CG2-CD1 4.21Å; T124-L144 HydrophobicContact CG2-CD2 4.48Å
125	F	88.7	Confident	84.2	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.5	-43.5	176.2	-178.7	-118	0	0	0	111.8	L36 L114 T121 L122 K127 Y128 I129 L144 I147 L151 I153 I156	L36-F125 HydrophobicContact CD1-CD1 4.39Å; L36-F125 HydrophobicContact CD1-CE1 4.29Å; L114-F125 HydrophobicContact CD1-CD1 4.3Å; L114-F125 HydrophobicContact CD1-CE1 4.42Å; T121-F125 WeakPolarHBondContact O-CB 3.26Å; T121-F125 PolarHBondContact O-N 2.79Å; L122-F125 PolarHBondContact O-N 3.38Å; F125-K127 VanDerWaalsContact C-N 3.34Å; F125-K127 PolarHBondContact O-N 2.55Å; F125-Y128 HydrophobicContact CD2-CD1 4.35Å; F125-Y128 HydrophobicContact CE2-CD1 4.26Å; F125-Y128 WeakPolarHBondContact O-CB 3.36Å; F125-Y128 PolarHBondContact O-N 3.07Å; F125-I129 HydrophobicContact CD1-CD1 3.7Å; F125-I129 HydrophobicContact CE1-CD1 3.4Å; F125-I129 HydrophobicContact CE1-CG1 4.2Å; F125-I129 HydrophobicContact CE2-CD1 4.39Å; F125-I129 HydrophobicContact CE2-CG1 4.33Å; F125-I129 HydrophobicContact CG-CD1 4.31Å; F125-I129 HydrophobicContact CZ-CD1 3.76Å; F125-I129 HydrophobicContact CZ-CG1 4.06Å; F125-I129 VanDerWaalsContact O-CG1 3.3Å; F125-I129 WeakPolarHBondContact O-CG1 3.36Å; F125-I129 PolarHBondContact O-N 3.03Å; F125-L144 HydrophobicContact CB-CD2 4.35Å; F125-I147 HydrophobicContact CB-CD1 4.27Å; F125-I147 HydrophobicContact CD1-CG2 4.2Å; F125-I147 HydrophobicContact CD2-CG2 3.72Å; F125-I147 HydrophobicContact CE1-CG2 4.03Å; F125-I147 HydrophobicContact CE2-CG2 3.56Å; F125-I147 HydrophobicContact CG-CD1 4.29Å; F125-I147 HydrophobicContact CG-CG2 4.06Å; F125-I147 HydrophobicContact CZ-CG2 3.73Å; F125-L151 HydrophobicContact CE1-CD1 3.73Å; F125-L151 HydrophobicContact CE2-CD1 4.28Å; F125-L151 HydrophobicContact CZ-CD1 3.34Å; F125-I153 HydrophobicContact CE2-CD1 3.58Å; F125-I153 HydrophobicContact CZ-CD1 3.81Å; F125-I156 HydrophobicContact CD2-CD1 3.81Å; F125-I156 HydrophobicContact CE2-CD1 3.65Å
126	V	87.3	Confident	85.2	Confident	13 Å²	13	39.3 Å²	39.3	8%	0.079	19%	0.188	C	C	.	.	H	α-helix	trans	-64.8	-38.3	175.1	175.3	0	0	0	0	111.4	L36 Q43 V45 L122 D123 Y128 I129 Y130	L36-V126 HydrophobicContact CD1-CG2 4.09Å; Q43-V126 HydrophobicContact CB-CG2 4.3Å; Q43-V126 VanDerWaalsContact OE1-CB 3.28Å; Q43-V126 VanDerWaalsContact OE1-CG1 3.29Å; V45-V126 HydrophobicContact CG1-CG1 3.88Å; V45-V126 HydrophobicContact CG1-CG2 3.94Å; L122-V126 HydrophobicContact CD1-CG2 4.44Å; L122-V126 WeakPolarHBondContact O-CG2 3.38Å; L122-V126 PolarHBondContact O-N 3.21Å; D123-V126 PolarHBondContact O-N 3.01Å; V126-Y128 PolarHBondContact O-N 2.91Å; V126-I129 HydrophobicContact CG2-CD1 4.5Å; V126-I129 WeakPolarHBondContact O-CB 3.49Å; V126-I129 PolarHBondContact O-N 2.78Å; V126-Y130 HydrophobicContact CG1-CD2 4.01Å; V126-Y130 HydrophobicContact CG1-CE2 3.94Å; V126-Y130 WeakPolarHBondContact O-CD2 3.31Å; V126-Y130 PolarHBondContact O-N 3.47Å
127	K	87.1	Confident	86	Confident	102 Å²	102	33.7 Å²	33.7	44%	0.443	17%	0.168	S	C	.	.	H	α-helix	trans	-59.7	-44.3	170.9	-78.5	167.1	178.1	163.7	0	111.9	D123 T124 F125 I129 Y130 K131	D123-K127 WeakPolarHBondContact O-CB 3.31Å; D123-K127 VanDerWaalsContact O-CG 3.26Å; D123-K127 WeakPolarHBondContact O-CG 3.48Å; D123-K127 PolarHBondContact O-N 3.39Å; D123-K127 WeakPolarHBondContact OD2-CE 3.14Å; D123-K127 IonicContact OD2-NZ 3.17Å; D123-K127 PolarHBondContact OD2-NZ 2.76Å; T124-K127 WeakPolarHBondContact O-CB 3.36Å; T124-K127 PolarHBondContact O-N 2.87Å; F125-K127 VanDerWaalsContact C-N 3.34Å; F125-K127 PolarHBondContact O-N 2.55Å; K127-I129 VanDerWaalsContact C-N 3.34Å; K127-I129 PolarHBondContact O-N 2.91Å; K127-Y130 PolarHBondContact O-N 3Å; K127-K131 VanDerWaalsContact O-CB 3.3Å; K127-K131 WeakPolarHBondContact O-CB 3.5Å; K127-K131 PolarHBondContact O-N 3.16Å
128	Y	87	Confident	85.9	Confident	6 Å²	6	37 Å²	37	2%	0.024	19%	0.186	C	C	.	.	H	α-helix	trans	-59.3	-45.8	175.1	165.4	-100.6	0	0	0	111.7	N10 V53 T124 F125 V126 Y130 K131 S132 E133 I134 I153 F155 I156	N10-Y128 HydrophobicContact CB-CE2 4.42Å; V53-Y128 HydrophobicContact CG1-CE1 3.94Å; T124-Y128 PolarHBondContact O-N 3.2Å; F125-Y128 HydrophobicContact CD2-CD1 4.35Å; F125-Y128 HydrophobicContact CE2-CD1 4.26Å; F125-Y128 WeakPolarHBondContact O-CB 3.36Å; F125-Y128 PolarHBondContact O-N 3.07Å; V126-Y128 PolarHBondContact O-N 2.91Å; Y128-Y130 PolarHBondContact O-N 3.44Å; Y128-K131 PolarHBondContact O-N 2.75Å; Y128-S132 WeakPolarHBondContact O-CA 3.11Å; Y128-S132 PolarHBondContact O-N 2.9Å; Y128-E133 VanDerWaalsContact CA-O 3.31Å; Y128-E133 WeakPolarHBondContact CA-O 3.39Å; Y128-I134 HydrophobicContact CD2-CB 3.97Å; Y128-I134 HydrophobicContact CG-CB 4.39Å; Y128-I134 HydrophobicContact CG-CD1 4.45Å; Y128-I153 HydrophobicContact CE1-CG2 4.16Å; Y128-F155 AromaticContact CE2-CD1 3.6Å; Y128-F155 HydrophobicContact CE2-CD1 3.6Å; Y128-F155 AromaticContact CE2-CE1 3.86Å; Y128-F155 HydrophobicContact CE2-CE1 3.86Å; Y128-I156 HydrophobicContact CD1-CD1 3.74Å; Y128-I156 HydrophobicContact CD1-CG1 4.31Å; Y128-I156 HydrophobicContact CE1-CD1 3.67Å; Y128-I156 HydrophobicContact CE1-CG1 3.98Å; Y128-I156 HydrophobicContact CG-CD1 4.41Å
129	I	83.7	Confident	85.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-52.7	-42.5	179.2	-74.8	164.1	0	0	0	111.7	L36 V49 L50 V53 F125 V126 K127	L36-I129 HydrophobicContact CD1-CD1 4.16Å; V49-I129 HydrophobicContact CB-CG2 4.43Å; V49-I129 HydrophobicContact CG1-CG2 3.09Å; L50-I129 HydrophobicContact CD2-CD1 3.73Å; V53-I129 HydrophobicContact CG1-CG1 4.42Å; V53-I129 HydrophobicContact CG2-CB 4.41Å; V53-I129 HydrophobicContact CG2-CG1 4.17Å; V53-I129 HydrophobicContact CG2-CG2 4.22Å; F125-I129 HydrophobicContact CD1-CD1 3.7Å; F125-I129 HydrophobicContact CE1-CD1 3.4Å; F125-I129 HydrophobicContact CE1-CG1 4.2Å; F125-I129 HydrophobicContact CE2-CD1 4.39Å; F125-I129 HydrophobicContact CE2-CG1 4.33Å; F125-I129 HydrophobicContact CG-CD1 4.31Å; F125-I129 HydrophobicContact CZ-CD1 3.76Å; F125-I129 HydrophobicContact CZ-CG1 4.06Å; F125-I129 VanDerWaalsContact O-CG1 3.3Å; F125-I129 WeakPolarHBondContact O-CG1 3.36Å; F125-I129 PolarHBondContact O-N 3.03Å; V126-I129 HydrophobicContact CG2-CD1 4.5Å; V126-I129 WeakPolarHBondContact O-CB 3.49Å; V126-I129 PolarHBondContact O-N 2.78Å; K127-I129 VanDerWaalsContact C-N 3.34Å; K127-I129 PolarHBondContact O-N 2.91Å
130	Y	81.8	Confident	85.8	Confident	70 Å²	70	39.3 Å²	39.3	28%	0.275	19%	0.19	S	C	.	.	H	α-helix	trans	-92.6	-33	-178	-73.1	-75.2	0	0	0	114.9	V45 H46 V49 V126 K127 Y128	V45-Y130 HydrophobicContact CG1-CE2 4.24Å; H46-Y130 PolarHBondContact N-OH 2.7Å; H46-Y130 AromaticContact ND1-CZ 3.93Å; H46-Y130 PolarHBondContact ND1-OH 2.61Å; V49-Y130 HydrophobicContact CB-CE1 4.47Å; V49-Y130 HydrophobicContact CG1-CD1 4.28Å; V49-Y130 HydrophobicContact CG1-CE1 4.07Å; V49-Y130 HydrophobicContact CG2-CE1 4.12Å; V126-Y130 HydrophobicContact CG1-CD2 4.01Å; V126-Y130 HydrophobicContact CG1-CE2 3.94Å; V126-Y130 WeakPolarHBondContact O-CD2 3.31Å; V126-Y130 PolarHBondContact O-N 3.47Å; K127-Y130 PolarHBondContact O-N 3Å; Y128-Y130 PolarHBondContact O-N 3.44Å
131	K	83	Confident	85.6	Confident	125 Å²	125	35.1 Å²	35.1	54%	0.543	17%	0.173	S	C	.	.	H	α-helix	trans	-100.9	-13.5	-172.8	-65.3	-172	176.1	-175.9	0	113.9	K127 Y128 E133	K127-K131 VanDerWaalsContact O-CB 3.3Å; K127-K131 WeakPolarHBondContact O-CB 3.5Å; K127-K131 PolarHBondContact O-N 3.16Å; Y128-K131 PolarHBondContact O-N 2.75Å; K131-E133 HydrophobicContact CB-CB 4.42Å; K131-E133 HydrophobicContact CB-CG 4.49Å; K131-E133 PolarHBondContact O-N 2.96Å
132	S	81.5	Confident	85.2	Confident	4 Å²	4	37.8 Å²	37.8	3%	0.028	19%	0.186	C	C	.	.	S	Bend	trans	58	21	-170.4	-55.5	0	0	0	0	114.2	N10 G13 P14 F15 Y128	N10-S132 PolarHBondContact N-O 3.31Å; G13-S132 VanDerWaalsContact C-OG 3.25Å; G13-S132 WeakPolarHBondContact CA-OG 3.31Å; P14-S132 WeakPolarHBondContact CD-OG 3.41Å; P14-S132 VanDerWaalsContact N-OG 3.11Å; F15-S132 WeakPolarHBondContact CB-OG 3.33Å; F15-S132 PolarHBondContact N-OG 2.86Å; Y128-S132 WeakPolarHBondContact O-CA 3.11Å; Y128-S132 PolarHBondContact O-N 2.9Å
133	E	84.6	Confident	85	Confident	66 Å²	66	40 Å²	40	31%	0.308	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134	177	-58	-170.4	144.8	0	0	108.5	K7 F8 V9 Y128 K131	K7-E133 WeakPolarHBondContact CE-OE2 3.41Å; K7-E133 IonicContact NZ-OE1 3.31Å; K7-E133 PolarHBondContact NZ-OE1 3.17Å; K7-E133 IonicContact NZ-OE2 2.65Å; K7-E133 PolarHBondContact NZ-OE2 3.12Å; F8-E133 WeakPolarHBondContact O-CA 3.4Å; V9-E133 HydrophobicContact CG1-CG 4.46Å; V9-E133 HydrophobicContact CG2-CG 4.11Å; Y128-E133 VanDerWaalsContact CA-O 3.31Å; Y128-E133 WeakPolarHBondContact CA-O 3.39Å; K131-E133 HydrophobicContact CB-CB 4.42Å; K131-E133 HydrophobicContact CB-CG 4.49Å; K131-E133 PolarHBondContact O-N 2.96Å
134	I	87.7	Confident	84.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.6	176.9	-163.4	165.3	0	0	0	109.7	F8 T124 Y128 I136 L144 F155 I156	F8-I134 HydrophobicContact CB-CG2 3.94Å; F8-I134 PolarHBondContact N-O 2.97Å; F8-I134 PolarHBondContact O-N 3.09Å; T124-I134 HydrophobicContact CG2-CG1 4.14Å; Y128-I134 HydrophobicContact CD2-CB 3.97Å; Y128-I134 HydrophobicContact CG-CB 4.39Å; Y128-I134 HydrophobicContact CG-CD1 4.45Å; I134-I136 HydrophobicContact CG1-CG1 4.33Å; I134-I136 HydrophobicContact CG2-CD1 4.42Å; I134-I136 HydrophobicContact CG2-CG1 4.35Å; I134-L144 HydrophobicContact CD1-CD1 3.95Å; I134-L144 HydrophobicContact CD1-CD2 4.07Å; I134-L144 HydrophobicContact CD1-CG 4.48Å; I134-L144 HydrophobicContact CG1-CD1 4.18Å; I134-F155 HydrophobicContact CG2-CE1 4.01Å; I134-I156 HydrophobicContact CD1-CD1 4.16Å; I134-I156 HydrophobicContact CD1-CG1 3.94Å; I134-I156 HydrophobicContact CD1-CG2 4.21Å
135	T	87.5	Confident	84.7	Confident	68 Å²	68	37.1 Å²	37.1	42%	0.417	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	115.2	174.1	51	0	0	0	0	108.3	G6 K7 T124	G6-T135 WeakPolarHBondContact O-CA 3.09Å; K7-T135 HydrophobicContact CB-CG2 4.44Å; K7-T135 HydrophobicContact CG-CG2 4.14Å; T124-T135 WeakPolarHBondContact CG2-O 3.02Å
136	I	86.6	Confident	84.3	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.9	-177.8	-54	179.2	0	0	0	108.5	G6 F8 I134 V141 L144 Y163	G6-I136 PolarHBondContact N-O 3.46Å; G6-I136 VanDerWaalsContact N-O 3.09Å; G6-I136 PolarHBondContact O-N 3.34Å; F8-I136 HydrophobicContact CD2-CD1 3.82Å; F8-I136 HydrophobicContact CD2-CG1 4.11Å; F8-I136 HydrophobicContact CE2-CB 4.32Å; F8-I136 HydrophobicContact CE2-CD1 3.8Å; F8-I136 HydrophobicContact CE2-CG1 4.19Å; I134-I136 HydrophobicContact CG1-CG1 4.33Å; I134-I136 HydrophobicContact CG2-CD1 4.42Å; I134-I136 HydrophobicContact CG2-CG1 4.35Å; I136-V141 HydrophobicContact CG2-CB 3.58Å; I136-V141 HydrophobicContact CG2-CG2 3.62Å; I136-L144 HydrophobicContact CG1-CD1 4.22Å; I136-Y163 HydrophobicContact CB-CD2 4.37Å; I136-Y163 HydrophobicContact CB-CG 4.23Å; I136-Y163 HydrophobicContact CG2-CD1 3.55Å; I136-Y163 HydrophobicContact CG2-CD2 4.23Å; I136-Y163 HydrophobicContact CG2-CE1 3.98Å; I136-Y163 HydrophobicContact CG2-CG 3.67Å
137	D	85.4	Confident	84.1	Confident	20 Å²	20	39.2 Å²	39.2	11%	0.107	19%	0.191	C	C	.	.			trans	-133.9	172.5	171.7	64.9	27.5	0	0	0	111	K5 K120 I139 T140 V141	K5-D137 HydrophobicContact CG-CB 4.42Å; K120-D137 VanDerWaalsContact CE-OD2 3.27Å; K120-D137 WeakPolarHBondContact CE-OD2 3.39Å; K120-D137 IonicContact NZ-OD1 2.78Å; K120-D137 IonicContact NZ-OD2 3.13Å; K120-D137 PolarHBondContact NZ-OD2 2.83Å; D137-I139 PolarHBondContact O-N 3.01Å; D137-I139 VanDerWaalsContact O-N 3.08Å; D137-I139 PolarHBondContact OD1-N 2.77Å; D137-T140 PolarHBondContact N-OG1 2.93Å; D137-T140 PolarHBondContact O-N 3.11Å; D137-T140 PolarHBondContact O-OG1 2.92Å; D137-T140 WeakPolarHBondContact OD1-CB 3.45Å; D137-T140 VanDerWaalsContact OD1-CG2 3.29Å; D137-T140 WeakPolarHBondContact OD1-CG2 3.27Å; D137-T140 PolarHBondContact OD1-N 3.46Å; D137-T140 PolarHBondContact OD1-OG1 3.43Å; D137-V141 WeakPolarHBondContact O-CB 3.23Å; D137-V141 PolarHBondContact O-N 3.31Å
138	D	79.9	Confident	84	Confident	83 Å²	83	34.4 Å²	34.4	44%	0.444	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.8	-174.8	-59	-17	0	0	0	113.8	Y163 I167	D138-Y163 PolarHBondContact N-OH 3.07Å; D138-Y163 PolarHBondContact OD1-OH 2.76Å; D138-I167 VanDerWaalsContact OD1-CD1 3.23Å; D138-I167 WeakPolarHBondContact OD1-CD1 3.29Å
139	I	82.4	Confident	83.6	Confident	112 Å²	112	35.9 Å²	35.9	57%	0.574	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-41.3	-176.7	-56.8	171.5	0	0	0	110.2	D137	D137-I139 PolarHBondContact O-N 3.01Å; D137-I139 VanDerWaalsContact O-N 3.08Å; D137-I139 PolarHBondContact OD1-N 2.77Å
140	T	84.4	Confident	83.5	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-21.4	-171.7	54.9	0	0	0	0	113.3	K120 T121 D137 I142 E143 L144	K120-T140 HydrophobicContact CD-CG2 4.11Å; K120-T140 HydrophobicContact CG-CG2 4.1Å; T121-T140 WeakPolarHBondContact OG1-CG2 3.5Å; D137-T140 PolarHBondContact N-OG1 2.93Å; D137-T140 PolarHBondContact O-N 3.11Å; D137-T140 PolarHBondContact O-OG1 2.92Å; D137-T140 WeakPolarHBondContact OD1-CB 3.45Å; D137-T140 VanDerWaalsContact OD1-CG2 3.29Å; D137-T140 WeakPolarHBondContact OD1-CG2 3.27Å; D137-T140 PolarHBondContact OD1-N 3.46Å; D137-T140 PolarHBondContact OD1-OG1 3.43Å; T140-I142 PolarHBondContact O-N 3.29Å; T140-E143 PolarHBondContact O-N 2.87Å; T140-L144 WeakPolarHBondContact O-CB 3.22Å; T140-L144 WeakPolarHBondContact O-CG 3.32Å; T140-L144 PolarHBondContact O-N 3.35Å
141	V	85.5	Confident	83.5	Confident	5 Å²	5	34.6 Å²	34.6	3%	0.03	18%	0.176	C	C	.	.	H	α-helix	trans	-57.9	-45.5	-167.8	64.1	0	0	0	0	114.8	I136 D137 L144 Y145 C160 Y163 L164	I136-V141 HydrophobicContact CG2-CB 3.58Å; I136-V141 HydrophobicContact CG2-CG2 3.62Å; D137-V141 WeakPolarHBondContact O-CB 3.23Å; D137-V141 PolarHBondContact O-N 3.31Å; V141-L144 PolarHBondContact O-N 2.88Å; V141-Y145 WeakPolarHBondContact O-CB 3.44Å; V141-Y145 PolarHBondContact O-N 3.49Å; V141-C160 HydrophobicContact CG2-CB 4.04Å; V141-Y163 HydrophobicContact CB-CD1 4.07Å; V141-Y163 HydrophobicContact CB-CE1 4.32Å; V141-Y163 HydrophobicContact CG1-CD1 4.46Å; V141-Y163 HydrophobicContact CG1-CE1 4.48Å; V141-Y163 HydrophobicContact CG2-CD1 3.85Å; V141-L164 HydrophobicContact CG1-CD2 3.82Å; V141-L164 HydrophobicContact CG2-CD1 4.07Å; V141-L164 HydrophobicContact CG2-CD2 3.92Å; V141-L164 HydrophobicContact CG2-CG 3.69Å
142	I	80	Confident	83.5	Confident	56 Å²	56	32.9 Å²	32.9	29%	0.287	17%	0.172	S	C	.	.	H	α-helix	trans	-68.4	-43.5	-178.8	-61.8	175.6	0	0	0	109.8	T140 Y145 N146 L176	T140-I142 PolarHBondContact O-N 3.29Å; I142-Y145 PolarHBondContact O-N 3.38Å; I142-N146 VanDerWaalsContact O-CG 3.26Å; I142-N146 PolarHBondContact O-N 2.89Å; I142-N146 PolarHBondContact O-ND2 3.06Å; I142-L176 HydrophobicContact CD1-CD2 3.74Å; I142-L176 HydrophobicContact CG1-CD2 4.18Å
143	E	84.5	Confident	83.7	Confident	45 Å²	45	33 Å²	33	21%	0.21	17%	0.173	C	C	.	.	H	α-helix	trans	-63.7	-43.3	178.6	-56.8	-178.4	173.8	0	0	110.8	I117 S118 T121 T140 N146 I147	I117-E143 HydrophobicContact CB-CB 4.46Å; I117-E143 HydrophobicContact CG2-CB 4.16Å; S118-E143 WeakPolarHBondContact CB-OE2 3.23Å; S118-E143 PolarHBondContact N-OE2 3.45Å; S118-E143 PolarHBondContact OG-OE2 2.9Å; T121-E143 WeakPolarHBondContact CB-OE2 3.36Å; T121-E143 HydrophobicContact CG2-CB 3.6Å; T121-E143 PolarHBondContact OG1-OE2 3.46Å; T140-E143 PolarHBondContact O-N 2.87Å; E143-N146 PolarHBondContact O-N 3.26Å; E143-I147 VanDerWaalsContact O-CG1 3.31Å; E143-I147 WeakPolarHBondContact O-CG1 3.26Å; E143-I147 PolarHBondContact O-N 3.48Å
144	L	86.7	Confident	83.6	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-41.7	174.3	-72.4	174.4	0	0	0	112.2	T121 T124 F125 I134 I136 T140 V141 N146 I147 G148 I156	T121-L144 HydrophobicContact CG2-CD2 3.73Å; T121-L144 HydrophobicContact CG2-CG 3.98Å; T124-L144 HydrophobicContact CG2-CD1 4.21Å; T124-L144 HydrophobicContact CG2-CD2 4.48Å; F125-L144 HydrophobicContact CB-CD2 4.35Å; I134-L144 HydrophobicContact CD1-CD1 3.95Å; I134-L144 HydrophobicContact CD1-CD2 4.07Å; I134-L144 HydrophobicContact CD1-CG 4.48Å; I134-L144 HydrophobicContact CG1-CD1 4.18Å; I136-L144 HydrophobicContact CG1-CD1 4.22Å; T140-L144 WeakPolarHBondContact O-CB 3.22Å; T140-L144 WeakPolarHBondContact O-CG 3.32Å; T140-L144 PolarHBondContact O-N 3.35Å; V141-L144 PolarHBondContact O-N 2.88Å; L144-N146 VanDerWaalsContact C-N 3.34Å; L144-N146 PolarHBondContact O-N 3.5Å; L144-I147 HydrophobicContact CD2-CD1 4.46Å; L144-I147 WeakPolarHBondContact O-CB 3.2Å; L144-I147 PolarHBondContact O-N 2.98Å; L144-G148 PolarHBondContact O-N 2.85Å; L144-I156 HydrophobicContact CB-CG2 4.26Å; L144-I156 WeakPolarHBondContact O-CG2 3.35Å
145	Y	84.2	Confident	83.6	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-60.4	-45.1	176.5	-177.5	-111.2	0	0	0	111.2	V141 I142 I147 G148 I149 Q157 C160 I161 N189 L191	V141-Y145 WeakPolarHBondContact O-CB 3.44Å; V141-Y145 PolarHBondContact O-N 3.49Å; I142-Y145 PolarHBondContact O-N 3.38Å; Y145-I147 PolarHBondContact O-N 2.96Å; Y145-G148 CarbonylContact O-C 3.59Å; Y145-G148 WeakPolarHBondContact O-CA 3.39Å; Y145-G148 PolarHBondContact O-N 3.01Å; Y145-I149 HydrophobicContact CD1-CD1 3.84Å; Y145-I149 HydrophobicContact CE1-CD1 3.32Å; Y145-I149 HydrophobicContact CE1-CG1 4.25Å; Y145-I149 HydrophobicContact CE2-CD1 4.43Å; Y145-I149 PolarHBondContact O-N 3.09Å; Y145-Q157 HydrophobicContact CD2-CB 4.41Å; Y145-Q157 HydrophobicContact CE2-CB 4.1Å; Y145-Q157 HydrophobicContact CE2-CG 4.36Å; Y145-C160 HydrophobicContact CD2-CB 3.87Å; Y145-C160 HydrophobicContact CG-CB 4.35Å; Y145-I161 HydrophobicContact CD2-CG1 4.36Å; Y145-I161 HydrophobicContact CE2-CD1 3.84Å; Y145-I161 HydrophobicContact CE2-CG1 3.75Å; Y145-N189 PolarHBondContact OH-OD1 3.29Å; Y145-L191 HydrophobicContact CD1-CD2 3.89Å; Y145-L191 HydrophobicContact CE1-CB 3.88Å; Y145-L191 HydrophobicContact CE1-CD2 3.67Å; Y145-L191 HydrophobicContact CE1-CG 4.46Å; Y145-L191 HydrophobicContact CE2-CB 4.4Å; Y145-L191 WeakPolarHBondContact OH-CB 3.45Å
146	N	79.4	Confident	83.5	Confident	55 Å²	55	33 Å²	33	29%	0.294	17%	0.167	S	C	.	.	H	α-helix	trans	-61.6	-41.3	176	-70.5	-21.7	0	0	0	112.1	I142 E143 L144 G148 I149 L150	I142-N146 VanDerWaalsContact O-CG 3.26Å; I142-N146 PolarHBondContact O-N 2.89Å; I142-N146 PolarHBondContact O-ND2 3.06Å; E143-N146 PolarHBondContact O-N 3.26Å; L144-N146 VanDerWaalsContact C-N 3.34Å; L144-N146 PolarHBondContact O-N 3.5Å; N146-G148 VanDerWaalsContact C-N 3.31Å; N146-G148 PolarHBondContact O-N 3.19Å; N146-I149 PolarHBondContact O-N 3.05Å; N146-L150 VanDerWaalsContact O-CB 3.26Å; N146-L150 WeakPolarHBondContact O-CB 3.26Å; N146-L150 PolarHBondContact O-N 2.67Å
147	I	83.1	Confident	83.4	Confident	3 Å²	3	34 Å²	34	2%	0.015	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-43.7	171.8	-66.2	169	0	0	0	110.5	L114 I117 T121 F125 E143 L144 Y145 I149 L150 L151	L114-I147 HydrophobicContact CD2-CG1 4.37Å; I117-I147 HydrophobicContact CD1-CD1 3.83Å; I117-I147 HydrophobicContact CG2-CD1 4.14Å; I117-I147 HydrophobicContact CG2-CG1 4.19Å; T121-I147 HydrophobicContact CG2-CD1 3.62Å; F125-I147 HydrophobicContact CB-CD1 4.27Å; F125-I147 HydrophobicContact CD1-CG2 4.2Å; F125-I147 HydrophobicContact CD2-CG2 3.72Å; F125-I147 HydrophobicContact CE1-CG2 4.03Å; F125-I147 HydrophobicContact CE2-CG2 3.56Å; F125-I147 HydrophobicContact CG-CD1 4.29Å; F125-I147 HydrophobicContact CG-CG2 4.06Å; F125-I147 HydrophobicContact CZ-CG2 3.73Å; E143-I147 VanDerWaalsContact O-CG1 3.31Å; E143-I147 WeakPolarHBondContact O-CG1 3.26Å; E143-I147 PolarHBondContact O-N 3.48Å; L144-I147 HydrophobicContact CD2-CD1 4.46Å; L144-I147 WeakPolarHBondContact O-CB 3.2Å; L144-I147 PolarHBondContact O-N 2.98Å; Y145-I147 PolarHBondContact O-N 2.96Å; I147-I149 VanDerWaalsContact C-N 3.33Å; I147-I149 PolarHBondContact O-N 3.43Å; I147-L150 PolarHBondContact O-N 3.08Å; I147-L151 HydrophobicContact CG2-CD1 3.76Å; I147-L151 HydrophobicContact CG2-CG 4.33Å; I147-L151 WeakPolarHBondContact O-CB 3.33Å; I147-L151 PolarHBondContact O-N 3.25Å
148	G	84.5	Confident	83.4	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.9	-41.9	176.5	0	0	0	0	0	112.8	L144 Y145 N146 N152 I153 Q157	L144-G148 PolarHBondContact O-N 2.85Å; Y145-G148 CarbonylContact O-C 3.59Å; Y145-G148 WeakPolarHBondContact O-CA 3.39Å; Y145-G148 PolarHBondContact O-N 3.01Å; N146-G148 VanDerWaalsContact C-N 3.31Å; N146-G148 PolarHBondContact O-N 3.19Å; G148-N152 CarbonylContact O-C 3.58Å; G148-N152 VanDerWaalsContact O-CA 3.23Å; G148-N152 WeakPolarHBondContact O-CA 3.42Å; G148-N152 PolarHBondContact O-N 3.34Å; G148-I153 PolarHBondContact O-N 2.51Å; G148-Q157 PolarHBondContact O-NE2 2.97Å
149	I	79.2	Confident	83.7	Confident	37 Å²	37	32.4 Å²	32.4	19%	0.19	16%	0.164	C	C	.	.	H	α-helix	trans	-68.4	-52.2	174.8	-69.6	173.5	0	0	0	110.8	Y145 N146 I147 L151 N152 Q157	Y145-I149 HydrophobicContact CD1-CD1 3.84Å; Y145-I149 HydrophobicContact CE1-CD1 3.32Å; Y145-I149 HydrophobicContact CE1-CG1 4.25Å; Y145-I149 HydrophobicContact CE2-CD1 4.43Å; Y145-I149 PolarHBondContact O-N 3.09Å; N146-I149 PolarHBondContact O-N 3.05Å; I147-I149 VanDerWaalsContact C-N 3.33Å; I147-I149 PolarHBondContact O-N 3.43Å; I149-L151 VanDerWaalsContact C-N 3.31Å; I149-L151 PolarHBondContact O-N 3.25Å; I149-N152 PolarHBondContact O-N 3.08Å; I149-N152 VanDerWaalsContact O-N 3.09Å; I149-Q157 HydrophobicContact CG1-CG 4.33Å
150	L	80.9	Confident	83.8	Confident	43 Å²	43	27 Å²	27	23%	0.225	14%	0.136	C	C	.	.	H	α-helix	trans	-55.9	-48.1	-175.9	178.9	65.2	0	0	0	111	K56 F60 I81 F112 L114 N146 I147	K56-L150 WeakPolarHBondContact CD-O 3.49Å; F60-L150 HydrophobicContact CZ-CD1 4.09Å; I81-L150 HydrophobicContact CD1-CD1 3.79Å; F112-L150 HydrophobicContact CE1-CD2 4.22Å; F112-L150 HydrophobicContact CZ-CD2 4.25Å; L114-L150 HydrophobicContact CD2-CD2 3.73Å; N146-L150 VanDerWaalsContact O-CB 3.26Å; N146-L150 WeakPolarHBondContact O-CB 3.26Å; N146-L150 PolarHBondContact O-N 2.67Å; I147-L150 PolarHBondContact O-N 3.08Å
151	L	82.2	Confident	83.7	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	2.9	-178.7	-58.9	-178.5	0	0	0	113.1	S54 I57 F112 F125 I147 I149 I153	S54-L151 VanDerWaalsContact CB-O 3.25Å; S54-L151 WeakPolarHBondContact CB-O 3.23Å; S54-L151 PolarHBondContact OG-O 3.24Å; I57-L151 HydrophobicContact CD1-CD2 4.29Å; I57-L151 HydrophobicContact CG1-CD2 3.8Å; F112-L151 HydrophobicContact CE1-CD2 4.01Å; F112-L151 HydrophobicContact CZ-CD2 4.18Å; F125-L151 HydrophobicContact CE1-CD1 3.73Å; F125-L151 HydrophobicContact CE2-CD1 4.28Å; F125-L151 HydrophobicContact CZ-CD1 3.34Å; I147-L151 HydrophobicContact CG2-CD1 3.76Å; I147-L151 HydrophobicContact CG2-CG 4.33Å; I147-L151 WeakPolarHBondContact O-CB 3.33Å; I147-L151 PolarHBondContact O-N 3.25Å; I149-L151 VanDerWaalsContact C-N 3.31Å; I149-L151 PolarHBondContact O-N 3.25Å; L151-I153 VanDerWaalsContact C-N 3.33Å; L151-I153 HydrophobicContact CB-CD1 3.73Å; L151-I153 HydrophobicContact CB-CG1 3.86Å; L151-I153 HydrophobicContact CD1-CD1 4.1Å; L151-I153 PolarHBondContact O-N 2.79Å
152	N	83.1	Confident	83.6	Confident	88 Å²	88	31.8 Å²	31.8	47%	0.471	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	44.8	-179.1	-163	40.7	0	0	0	114.2	K56 G148 I149	K56-N152 HydrophobicContact CD-CB 3.72Å; K56-N152 HydrophobicContact CG-CB 4.08Å; G148-N152 CarbonylContact O-C 3.58Å; G148-N152 VanDerWaalsContact O-CA 3.23Å; G148-N152 WeakPolarHBondContact O-CA 3.42Å; G148-N152 PolarHBondContact O-N 3.34Å; I149-N152 PolarHBondContact O-N 3.08Å; I149-N152 VanDerWaalsContact O-N 3.09Å
153	I	85	Confident	83.8	Confident	8 Å²	8	29.5 Å²	29.5	4%	0.041	15%	0.146	C	C	.	.			trans	-97.3	91	178.8	-52.7	167.2	0	0	0	108.6	V53 F125 Y128 G148 L151 F155 I156 Q157	V53-I153 HydrophobicContact CG1-CD1 3.49Å; V53-I153 VanDerWaalsContact CG1-CD1 3.49Å; V53-I153 HydrophobicContact CG1-CG1 4.08Å; F125-I153 HydrophobicContact CE2-CD1 3.58Å; F125-I153 HydrophobicContact CZ-CD1 3.81Å; Y128-I153 HydrophobicContact CE1-CG2 4.16Å; G148-I153 PolarHBondContact O-N 2.51Å; L151-I153 VanDerWaalsContact C-N 3.33Å; L151-I153 HydrophobicContact CB-CD1 3.73Å; L151-I153 HydrophobicContact CB-CG1 3.86Å; L151-I153 HydrophobicContact CD1-CD1 4.1Å; L151-I153 PolarHBondContact O-N 2.79Å; I153-F155 PolarHBondContact O-N 3.09Å; I153-F155 VanDerWaalsContact O-N 3.17Å; I153-I156 HydrophobicContact CB-CB 4.41Å; I153-I156 HydrophobicContact CB-CD1 4.23Å; I153-I156 HydrophobicContact CB-CG1 4.33Å; I153-I156 HydrophobicContact CD1-CD1 3.92Å; I153-I156 HydrophobicContact CG2-CB 4.21Å; I153-I156 HydrophobicContact CG2-CD1 3.91Å; I153-I156 HydrophobicContact CG2-CG1 3.75Å; I153-I156 PolarHBondContact O-N 2.84Å; I153-I156 VanDerWaalsContact O-N 3.12Å; I153-Q157 PolarHBondContact O-N 3.31Å
154	Q	84	Confident	83.6	Confident	91 Å²	91	27.7 Å²	27.7	43%	0.425	14%	0.138	S	C	.	.	H	α-helix	trans	-55.9	-35.7	-175.5	-166.1	66.1	34.1	0	0	113.3	Q157 N158	Q154-Q157 PolarHBondContact O-N 3.38Å; Q154-N158 PolarHBondContact NE2-OD1 2.86Å; Q154-N158 WeakPolarHBondContact O-CB 3.48Å; Q154-N158 VanDerWaalsContact O-CG 3.27Å; Q154-N158 PolarHBondContact O-N 3.19Å
155	F	86.6	Confident	83.3	Confident	41 Å²	41	33 Å²	33	18%	0.18	16%	0.158	C	C	.	.	H	α-helix	trans	-61.6	-45.4	178.9	-179.9	-95.3	0	0	0	112.2	F8 N10 Y128 I134 I153 T159	F8-F155 HydrophobicContact CB-CZ 4.16Å; N10-F155 VanDerWaalsContact CA-CE2 3.49Å; N10-F155 VanDerWaalsContact CA-CZ 3.47Å; N10-F155 HydrophobicContact CB-CD1 3.92Å; N10-F155 HydrophobicContact CB-CD2 3.87Å; N10-F155 HydrophobicContact CB-CE1 3.72Å; N10-F155 HydrophobicContact CB-CE2 3.67Å; N10-F155 HydrophobicContact CB-CG 4Å; N10-F155 HydrophobicContact CB-CZ 3.59Å; Y128-F155 AromaticContact CE2-CD1 3.6Å; Y128-F155 HydrophobicContact CE2-CD1 3.6Å; Y128-F155 AromaticContact CE2-CE1 3.86Å; Y128-F155 HydrophobicContact CE2-CE1 3.86Å; I134-F155 HydrophobicContact CG2-CE1 4.01Å; I153-F155 PolarHBondContact O-N 3.09Å; I153-F155 VanDerWaalsContact O-N 3.17Å; F155-T159 HydrophobicContact CD1-CG2 4.29Å; F155-T159 HydrophobicContact CD2-CG2 4.35Å; F155-T159 HydrophobicContact CE1-CG2 3.84Å; F155-T159 HydrophobicContact CE2-CG2 3.9Å; F155-T159 HydrophobicContact CZ-CG2 3.62Å; F155-T159 WeakPolarHBondContact O-CB 3.37Å; F155-T159 WeakPolarHBondContact O-CG2 3.45Å; F155-T159 PolarHBondContact O-N 3.31Å; F155-T159 PolarHBondContact O-OG1 3.34Å
156	I	86.6	Confident	83.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.3	-43.5	176.9	-63.9	179.5	0	0	0	109.7	F125 Y128 I134 L144 I153 N158 T159 C160	F125-I156 HydrophobicContact CD2-CD1 3.81Å; F125-I156 HydrophobicContact CE2-CD1 3.65Å; Y128-I156 HydrophobicContact CD1-CD1 3.74Å; Y128-I156 HydrophobicContact CD1-CG1 4.31Å; Y128-I156 HydrophobicContact CE1-CD1 3.67Å; Y128-I156 HydrophobicContact CE1-CG1 3.98Å; Y128-I156 HydrophobicContact CG-CD1 4.41Å; I134-I156 HydrophobicContact CD1-CD1 4.16Å; I134-I156 HydrophobicContact CD1-CG1 3.94Å; I134-I156 HydrophobicContact CD1-CG2 4.21Å; L144-I156 HydrophobicContact CB-CG2 4.26Å; L144-I156 WeakPolarHBondContact O-CG2 3.35Å; I153-I156 HydrophobicContact CB-CB 4.41Å; I153-I156 HydrophobicContact CB-CD1 4.23Å; I153-I156 HydrophobicContact CB-CG1 4.33Å; I153-I156 HydrophobicContact CD1-CD1 3.92Å; I153-I156 HydrophobicContact CG2-CB 4.21Å; I153-I156 HydrophobicContact CG2-CD1 3.91Å; I153-I156 HydrophobicContact CG2-CG1 3.75Å; I153-I156 PolarHBondContact O-N 2.84Å; I153-I156 VanDerWaalsContact O-N 3.12Å; I156-N158 PolarHBondContact O-N 3.43Å; I156-T159 WeakPolarHBondContact CA-OG1 3.48Å; I156-T159 PolarHBondContact O-N 2.84Å; I156-T159 PolarHBondContact O-OG1 2.64Å; I156-T159 VanDerWaalsContact O-OG1 3.11Å; I156-C160 VanDerWaalsContact O-CB 3.26Å; I156-C160 WeakPolarHBondContact O-CB 3.41Å; I156-C160 PolarHBondContact O-N 2.88Å; I156-C160 PolarHBondContact O-SG 3.43Å
157	Q	84.6	Confident	83.3	Confident	22 Å²	22	36.8 Å²	36.8	10%	0.103	18%	0.182	C	C	.	.	H	α-helix	trans	-56.9	-52.1	177.5	-65	177.8	36.1	0	0	111.5	Y145 G148 I149 I153 Q154 C160 I161	Y145-Q157 HydrophobicContact CD2-CB 4.41Å; Y145-Q157 HydrophobicContact CE2-CB 4.1Å; Y145-Q157 HydrophobicContact CE2-CG 4.36Å; G148-Q157 PolarHBondContact O-NE2 2.97Å; I149-Q157 HydrophobicContact CG1-CG 4.33Å; I153-Q157 PolarHBondContact O-N 3.31Å; Q154-Q157 PolarHBondContact O-N 3.38Å; Q157-C160 PolarHBondContact O-N 3.25Å; Q157-I161 WeakPolarHBondContact O-CD1 3.22Å; Q157-I161 VanDerWaalsContact O-CG1 3.22Å; Q157-I161 WeakPolarHBondContact O-CG1 3.48Å; Q157-I161 PolarHBondContact O-N 3.47Å
158	N	84.6	Confident	83.2	Confident	63 Å²	63	37.3 Å²	37.3	34%	0.337	19%	0.185	S	C	.	.	H	α-helix	trans	-63.4	-45.2	-178.4	-69.1	-6.8	0	0	0	112.4	Q154 I156 I161 E162	Q154-N158 PolarHBondContact NE2-OD1 2.86Å; Q154-N158 WeakPolarHBondContact O-CB 3.48Å; Q154-N158 VanDerWaalsContact O-CG 3.27Å; Q154-N158 PolarHBondContact O-N 3.19Å; I156-N158 PolarHBondContact O-N 3.43Å; N158-I161 PolarHBondContact O-N 2.74Å; N158-E162 WeakPolarHBondContact O-CG 3.37Å; N158-E162 PolarHBondContact O-N 2.87Å
159	T	86	Confident	83	Confident	6 Å²	6	40.3 Å²	40.3	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-66.8	-38.4	179.9	50	0	0	0	0	112.4	F8 F155 I156 E162 Y163	F8-T159 HydrophobicContact CB-CG2 3.75Å; F8-T159 HydrophobicContact CD1-CG2 3.78Å; F8-T159 HydrophobicContact CD2-CG2 4.49Å; F8-T159 HydrophobicContact CG-CG2 3.77Å; F155-T159 HydrophobicContact CD1-CG2 4.29Å; F155-T159 HydrophobicContact CD2-CG2 4.35Å; F155-T159 HydrophobicContact CE1-CG2 3.84Å; F155-T159 HydrophobicContact CE2-CG2 3.9Å; F155-T159 HydrophobicContact CZ-CG2 3.62Å; F155-T159 WeakPolarHBondContact O-CB 3.37Å; F155-T159 WeakPolarHBondContact O-CG2 3.45Å; F155-T159 PolarHBondContact O-N 3.31Å; F155-T159 PolarHBondContact O-OG1 3.34Å; I156-T159 WeakPolarHBondContact CA-OG1 3.48Å; I156-T159 PolarHBondContact O-N 2.84Å; I156-T159 PolarHBondContact O-OG1 2.64Å; I156-T159 VanDerWaalsContact O-OG1 3.11Å; T159-E162 PolarHBondContact O-N 3.36Å; T159-Y163 WeakPolarHBondContact O-CB 3.29Å; T159-Y163 PolarHBondContact O-N 3Å
160	C	85.2	Confident	82.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-43	171.4	-75.4	0	0	0	0	111.6	V141 Y145 I156 Q157 Y163 L164	V141-C160 HydrophobicContact CG2-CB 4.04Å; Y145-C160 HydrophobicContact CD2-CB 3.87Å; Y145-C160 HydrophobicContact CG-CB 4.35Å; I156-C160 VanDerWaalsContact O-CB 3.26Å; I156-C160 WeakPolarHBondContact O-CB 3.41Å; I156-C160 PolarHBondContact O-N 2.88Å; I156-C160 PolarHBondContact O-SG 3.43Å; Q157-C160 PolarHBondContact O-N 3.25Å; C160-Y163 PolarHBondContact O-N 2.92Å; C160-L164 WeakPolarHBondContact O-CB 3.22Å; C160-L164 VanDerWaalsContact O-CG 3.22Å; C160-L164 WeakPolarHBondContact O-CG 3.23Å; C160-L164 PolarHBondContact O-N 3.08Å
161	I	81.6	Confident	82.4	Confident	2 Å²	2	45 Å²	45	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-64	-43.2	176.6	-68.5	165.5	0	0	0	111	Y145 Q157 N158 Y163 L164 R165 Q190 L191 E194	Y145-I161 HydrophobicContact CD2-CG1 4.36Å; Y145-I161 HydrophobicContact CE2-CD1 3.84Å; Y145-I161 HydrophobicContact CE2-CG1 3.75Å; Q157-I161 WeakPolarHBondContact O-CD1 3.22Å; Q157-I161 VanDerWaalsContact O-CG1 3.22Å; Q157-I161 WeakPolarHBondContact O-CG1 3.48Å; Q157-I161 PolarHBondContact O-N 3.47Å; N158-I161 PolarHBondContact O-N 2.74Å; I161-Y163 VanDerWaalsContact C-N 3.34Å; I161-Y163 PolarHBondContact O-N 2.59Å; I161-L164 PolarHBondContact O-N 3.16Å; I161-R165 HydrophobicContact CG2-CG 4.49Å; I161-R165 WeakPolarHBondContact O-CB 3.39Å; I161-R165 WeakPolarHBondContact O-CG 3.48Å; I161-R165 PolarHBondContact O-N 3.36Å; I161-Q190 HydrophobicContact CD1-CB 3.71Å; I161-Q190 HydrophobicContact CD1-CG 3.67Å; I161-L191 HydrophobicContact CG1-CB 4.33Å; I161-E194 HydrophobicContact CG2-CG 4.14Å
162	E	84	Confident	82.2	Confident	103 Å²	103	46.4 Å²	46.4	48%	0.481	23%	0.232	S	C	.	.	H	α-helix	trans	-60.2	-43.5	175.6	-76.5	-171.1	155.6	0	0	112	N158 T159	N158-E162 WeakPolarHBondContact O-CG 3.37Å; N158-E162 PolarHBondContact O-N 2.87Å; T159-E162 PolarHBondContact O-N 3.36Å
163	Y	84	Confident	82	Confident	7 Å²	7	42.2 Å²	42.2	3%	0.027	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-47.5	175	-174.5	-98.1	0	0	0	111.4	M4 I136 D138 V141 T159 C160 I161 R165 T166 I167	M4-Y163 PolarHBondContact O-OH 3.38Å; I136-Y163 HydrophobicContact CB-CD2 4.37Å; I136-Y163 HydrophobicContact CB-CG 4.23Å; I136-Y163 HydrophobicContact CG2-CD1 3.55Å; I136-Y163 HydrophobicContact CG2-CD2 4.23Å; I136-Y163 HydrophobicContact CG2-CE1 3.98Å; I136-Y163 HydrophobicContact CG2-CG 3.67Å; D138-Y163 PolarHBondContact N-OH 3.07Å; D138-Y163 PolarHBondContact OD1-OH 2.76Å; V141-Y163 HydrophobicContact CB-CD1 4.07Å; V141-Y163 HydrophobicContact CB-CE1 4.32Å; V141-Y163 HydrophobicContact CG1-CD1 4.46Å; V141-Y163 HydrophobicContact CG1-CE1 4.48Å; V141-Y163 HydrophobicContact CG2-CD1 3.85Å; T159-Y163 WeakPolarHBondContact O-CB 3.29Å; T159-Y163 PolarHBondContact O-N 3Å; C160-Y163 PolarHBondContact O-N 2.92Å; I161-Y163 VanDerWaalsContact C-N 3.34Å; I161-Y163 PolarHBondContact O-N 2.59Å; Y163-R165 VanDerWaalsContact C-N 3.31Å; Y163-R165 PolarHBondContact O-N 2.86Å; Y163-T166 PolarHBondContact O-N 3.42Å; Y163-T166 PolarHBondContact O-OG1 2.86Å; Y163-I167 HydrophobicContact CD1-CD1 3.5Å; Y163-I167 VanDerWaalsContact CD1-CD1 3.5Å; Y163-I167 HydrophobicContact CE1-CD1 2.98Å; Y163-I167 HydrophobicContact CE1-CG1 4.43Å; Y163-I167 HydrophobicContact CE2-CD1 4.11Å; Y163-I167 HydrophobicContact CG-CD1 4.26Å
164	L	80.7	Confident	81.6	Confident	8 Å²	8	41.9 Å²	41.9	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-58.9	-41.4	178.7	-73.8	167.8	0	0	0	111.7	V141 C160 I161 T166 I167 L168 L176 L191	V141-L164 HydrophobicContact CG1-CD2 3.82Å; V141-L164 HydrophobicContact CG2-CD1 4.07Å; V141-L164 HydrophobicContact CG2-CD2 3.92Å; V141-L164 HydrophobicContact CG2-CG 3.69Å; C160-L164 WeakPolarHBondContact O-CB 3.22Å; C160-L164 VanDerWaalsContact O-CG 3.22Å; C160-L164 WeakPolarHBondContact O-CG 3.23Å; C160-L164 PolarHBondContact O-N 3.08Å; I161-L164 PolarHBondContact O-N 3.16Å; L164-T166 PolarHBondContact O-N 2.99Å; L164-T166 VanDerWaalsContact O-N 3.13Å; L164-I167 CarbonylContact O-C 3.55Å; L164-I167 PolarHBondContact O-N 3.11Å; L164-L168 WeakPolarHBondContact O-CG 3.33Å; L164-L168 PolarHBondContact O-N 3.26Å; L164-L176 HydrophobicContact CD2-CD1 4.22Å; L164-L191 HydrophobicContact CB-CD1 4.13Å; L164-L191 HydrophobicContact CD1-CD1 3.52Å; L164-L191 HydrophobicContact CD1-CD2 3.56Å; L164-L191 HydrophobicContact CD1-CG 4.2Å; L164-L191 HydrophobicContact CG-CD1 4.43Å
165	R	80.5	Confident	81.3	Confident	111 Å²	111	41 Å²	41	42%	0.419	21%	0.205	S	C	.	.	H	α-helix	trans	-53.9	-32.4	174.5	-79.7	173.3	173.1	170.6	-5.5	113.2	I161 Y163 I167 E194	I161-R165 HydrophobicContact CG2-CG 4.49Å; I161-R165 WeakPolarHBondContact O-CB 3.39Å; I161-R165 WeakPolarHBondContact O-CG 3.48Å; I161-R165 PolarHBondContact O-N 3.36Å; Y163-R165 VanDerWaalsContact C-N 3.31Å; Y163-R165 PolarHBondContact O-N 2.86Å; R165-I167 VanDerWaalsContact C-N 3.33Å; R165-E194 IonicContact CZ-OE1 3.45Å; R165-E194 IonicContact CZ-OE2 3.92Å; R165-E194 VanDerWaalsContact CZ-OE2 3.29Å; R165-E194 VanDerWaalsContact NE-CD 3.32Å; R165-E194 IonicContact NE-OE1 2.69Å; R165-E194 IonicContact NE-OE2 3.08Å; R165-E194 PolarHBondContact NE-OE2 2.96Å; R165-E194 IonicContact NH2-OE1 2.58Å; R165-E194 PolarHBondContact NH2-OE1 3.11Å; R165-E194 IonicContact NH2-OE2 3.03Å; R165-E194 PolarHBondContact NH2-OE2 3.21Å; R165-E194 VanDerWaalsContact NH2-OE2 3.08Å
166	T	81.4	Confident	80.8	Confident	95 Å²	95	39.6 Å²	39.6	58%	0.583	20%	0.199	S	C	*	.	H	α-helix	trans	-77.1	-18.1	177.7	67.4	0	0	0	0	114.1	Y163 L164	Y163-T166 PolarHBondContact O-N 3.42Å; Y163-T166 PolarHBondContact O-OG1 2.86Å; L164-T166 PolarHBondContact O-N 2.99Å; L164-T166 VanDerWaalsContact O-N 3.13Å
167	I	81.5	Confident	80.3	Confident	43 Å²	43	39.6 Å²	39.6	22%	0.221	20%	0.199	C	C	.	.	H	α-helix	trans	-108.7	-15.2	-175.4	-64.2	158	0	0	0	111.9	D138 Y163 L164 R165 N169 N172	D138-I167 VanDerWaalsContact OD1-CD1 3.23Å; D138-I167 WeakPolarHBondContact OD1-CD1 3.29Å; Y163-I167 HydrophobicContact CD1-CD1 3.5Å; Y163-I167 VanDerWaalsContact CD1-CD1 3.5Å; Y163-I167 HydrophobicContact CE1-CD1 2.98Å; Y163-I167 HydrophobicContact CE1-CG1 4.43Å; Y163-I167 HydrophobicContact CE2-CD1 4.11Å; Y163-I167 HydrophobicContact CG-CD1 4.26Å; L164-I167 CarbonylContact O-C 3.55Å; L164-I167 PolarHBondContact O-N 3.11Å; R165-I167 VanDerWaalsContact C-N 3.33Å; I167-N169 PolarHBondContact O-N 3Å; I167-N169 PolarHBondContact O-ND2 2.74Å; I167-N169 VanDerWaalsContact O-ND2 3.09Å; I167-N172 PolarHBondContact O-ND2 2.94Å
168	L	80.8	Confident	79.7	Confident	15 Å²	15	41.4 Å²	41.4	8%	0.079	21%	0.205	C	C	.	.			trans	-51.6	126.1	175.6	-75.6	177.6	0	0	0	110.6	L164 N172 C173 L176 Y198	L164-L168 WeakPolarHBondContact O-CG 3.33Å; L164-L168 PolarHBondContact O-N 3.26Å; L168-N172 WeakPolarHBondContact CA-OD1 3.33Å; L168-C173 HydrophobicContact CD2-CB 4.05Å; L168-L176 HydrophobicContact CD2-CD1 3.78Å; L168-Y198 HydrophobicContact CB-CD1 4.3Å; L168-Y198 HydrophobicContact CB-CD2 3.84Å; L168-Y198 HydrophobicContact CB-CE1 4.45Å; L168-Y198 HydrophobicContact CB-CE2 3.98Å; L168-Y198 HydrophobicContact CB-CG 4.02Å; L168-Y198 HydrophobicContact CD1-CD2 4.24Å; L168-Y198 HydrophobicContact CD1-CG 4.16Å; L168-Y198 PolarHBondContact O-OH 3.43Å
169	N	80.7	Confident	78.9	Confident	63 Å²	63	43 Å²	43	34%	0.337	21%	0.21	S	C	.	.			trans	-146.5	175	179.3	63.2	56.9	0	0	0	109.7	I167 N171 N172 C173	I167-N169 PolarHBondContact O-N 3Å; I167-N169 PolarHBondContact O-ND2 2.74Å; I167-N169 VanDerWaalsContact O-ND2 3.09Å; N169-N171 PolarHBondContact O-N 3.43Å; N169-N171 VanDerWaalsContact O-N 3.07Å; N169-N171 WeakPolarHBondContact OD1-CB 3.48Å; N169-N171 PolarHBondContact OD1-N 3.38Å; N169-N172 PolarHBondContact N-OD1 3.18Å; N169-N172 PolarHBondContact ND2-ND2 2.91Å; N169-N172 PolarHBondContact O-N 3.38Å; N169-N172 PolarHBondContact O-OD1 3.1Å; N169-N172 PolarHBondContact OD1-N 3.28Å; N169-N172 VanDerWaalsContact OD1-N 3.11Å; N169-N172 PolarHBondContact OD1-OD1 2.84Å; N169-C173 PolarHBondContact O-N 3.17Å; N169-C173 PolarHBondContact O-SG 3.47Å
170	E	74.4	Confident	77.9	Confident	67 Å²	67	42.9 Å²	42.9	31%	0.313	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.5	-175.4	-64.4	159	-159	0	0	113.5	K205 M206 N209	E170-K205 HydrophobicContact CG-CB 4.49Å; E170-K205 WeakPolarHBondContact OE1-CD 3.49Å; E170-K205 IonicContact OE1-NZ 2.74Å; E170-K205 PolarHBondContact OE1-NZ 2.87Å; E170-M206 HydrophobicContact CB-CG 4.15Å; E170-M206 HydrophobicContact CG-CG 4.15Å; E170-M206 VanDerWaalsContact O-CE 3.26Å; E170-M206 WeakPolarHBondContact O-CE 3.26Å; E170-N209 PolarHBondContact O-ND2 3.41Å
171	N	73.6	Confident	76.7	Confident	111 Å²	111	44.2 Å²	44.2	59%	0.594	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-28.2	-176.4	-63.6	-41	0	0	0	113.7	N169 I175	N169-N171 PolarHBondContact O-N 3.43Å; N169-N171 VanDerWaalsContact O-N 3.07Å; N169-N171 WeakPolarHBondContact OD1-CB 3.48Å; N169-N171 PolarHBondContact OD1-N 3.38Å; N171-I175 VanDerWaalsContact O-CD1 3.32Å; N171-I175 WeakPolarHBondContact O-CD1 3.45Å
172	N	77.4	Confident	75.3	Confident	31 Å²	31	48.1 Å²	48.1	17%	0.166	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-22.8	-173.6	67.9	6.7	0	0	0	114.3	I167 L168 N169 L174 I175 L176	I167-N172 PolarHBondContact O-ND2 2.94Å; L168-N172 WeakPolarHBondContact CA-OD1 3.33Å; N169-N172 PolarHBondContact N-OD1 3.18Å; N169-N172 PolarHBondContact ND2-ND2 2.91Å; N169-N172 PolarHBondContact O-N 3.38Å; N169-N172 PolarHBondContact O-OD1 3.1Å; N169-N172 PolarHBondContact OD1-N 3.28Å; N169-N172 VanDerWaalsContact OD1-N 3.11Å; N169-N172 PolarHBondContact OD1-OD1 2.84Å; N172-L174 PolarHBondContact O-N 3.07Å; N172-I175 PolarHBondContact O-N 3.13Å; N172-L176 HydrophobicContact CB-CD1 4.36Å; N172-L176 WeakPolarHBondContact O-CB 3.46Å; N172-L176 WeakPolarHBondContact O-CG 3.35Å; N172-L176 PolarHBondContact O-N 2.91Å
173	C	78.7	Confident	73.7	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-45.2	-171.2	53.3	0	0	0	0	112.9	L168 N169 L176 M177 Y198 M206	L168-C173 HydrophobicContact CD2-CB 4.05Å; N169-C173 PolarHBondContact O-N 3.17Å; N169-C173 PolarHBondContact O-SG 3.47Å; C173-L176 PolarHBondContact O-N 3.29Å; C173-M177 WeakPolarHBondContact O-CB 3.4Å; C173-M177 PolarHBondContact O-N 3.22Å; C173-Y198 HydrophobicContact CB-CD1 4.04Å; C173-M206 WeakPolarHBondContact SG-CE 3.22Å
174	L	77.3	Confident	71.9	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-67.1	-36.2	176.3	-69	173.9	0	0	0	112.9	N172 M177 R178 T199 M206 E211 T212 T215 I223	N172-L174 PolarHBondContact O-N 3.07Å; L174-M177 HydrophobicContact CD2-CE 3.71Å; L174-M177 PolarHBondContact O-N 3.26Å; L174-R178 WeakPolarHBondContact O-CG 3.35Å; L174-R178 PolarHBondContact O-N 2.83Å; L174-T199 HydrophobicContact CD2-CG2 3.98Å; L174-M206 HydrophobicContact CD1-CE 3.59Å; L174-M206 HydrophobicContact CG-CE 3.76Å; L174-E211 HydrophobicContact CD1-CB 3.83Å; L174-T212 HydrophobicContact CD1-CG2 3.57Å; L174-T215 HydrophobicContact CD1-CG2 4.45Å; L174-T215 HydrophobicContact CD2-CG2 3.9Å; L174-I223 HydrophobicContact CD2-CD1 4.25Å
175	I	76.2	Confident	70.6	Confident	71 Å²	71	55.6 Å²	55.6	36%	0.364	28%	0.28	S	S	.	.	H	α-helix	trans	-65.6	-48	178.2	-60.6	176.5	0	0	0	109.5	N171 N172 M177 R178 Q179	N171-I175 VanDerWaalsContact O-CD1 3.32Å; N171-I175 WeakPolarHBondContact O-CD1 3.45Å; N172-I175 PolarHBondContact O-N 3.13Å; I175-M177 VanDerWaalsContact C-N 3.31Å; I175-M177 PolarHBondContact O-N 3.21Å; I175-R178 PolarHBondContact O-N 3.24Å; I175-Q179 HydrophobicContact CG2-CG 4.44Å; I175-Q179 WeakPolarHBondContact O-CB 3.28Å; I175-Q179 VanDerWaalsContact O-CG 3.28Å; I175-Q179 WeakPolarHBondContact O-CG 3.32Å; I175-Q179 PolarHBondContact O-N 2.84Å
176	L	76.1	Confident	69.2	Low	12 Å²	12	53.1 Å²	53.1	6%	0.063	27%	0.271	C	S	.	.	H	α-helix	trans	-62.6	-38.4	177.2	-72.2	170.4	0	0	0	111.8	I142 L164 L168 N172 C173 N180	I142-L176 HydrophobicContact CD1-CD2 3.74Å; I142-L176 HydrophobicContact CG1-CD2 4.18Å; L164-L176 HydrophobicContact CD2-CD1 4.22Å; L168-L176 HydrophobicContact CD2-CD1 3.78Å; N172-L176 HydrophobicContact CB-CD1 4.36Å; N172-L176 WeakPolarHBondContact O-CB 3.46Å; N172-L176 WeakPolarHBondContact O-CG 3.35Å; N172-L176 PolarHBondContact O-N 2.91Å; C173-L176 PolarHBondContact O-N 3.29Å; L176-N180 WeakPolarHBondContact O-CB 3.45Å; L176-N180 PolarHBondContact O-N 2.76Å; L176-N180 PolarHBondContact O-ND2 3.18Å
177	M	76.9	Confident	67.8	Low	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60	-52.8	174.3	-172.6	-176.4	71.6	0	0	111.3	C173 L174 I175 Q179 N180 N181 T192 C195 I196 E219 I223	C173-M177 WeakPolarHBondContact O-CB 3.4Å; C173-M177 PolarHBondContact O-N 3.22Å; L174-M177 HydrophobicContact CD2-CE 3.71Å; L174-M177 PolarHBondContact O-N 3.26Å; I175-M177 VanDerWaalsContact C-N 3.31Å; I175-M177 PolarHBondContact O-N 3.21Å; M177-Q179 PolarHBondContact O-N 3.09Å; M177-N180 PolarHBondContact O-N 2.98Å; M177-N181 VanDerWaalsContact O-CG 3.3Å; M177-N181 PolarHBondContact O-N 3.36Å; M177-T192 HydrophobicContact CG-CG2 4.01Å; M177-C195 HydrophobicContact CB-CB 3.98Å; M177-I196 HydrophobicContact CG-CG1 4.25Å; M177-I196 HydrophobicContact SD-CD1 4.44Å; M177-I196 HydrophobicContact SD-CG1 3.59Å; M177-I196 VanDerWaalsContact SD-CG1 3.59Å; M177-E219 HydrophobicContact CE-CB 3.8Å; M177-E219 HydrophobicContact CE-CG 3.9Å; M177-I223 HydrophobicContact CE-CD1 4.38Å; M177-I223 HydrophobicContact SD-CD1 4.4Å
178	R	71.7	Confident	66.6	Low	60 Å²	60	59.9 Å²	59.9	23%	0.226	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-42.1	-179.8	-75.1	-179.9	-173.6	147.4	12.6	113.3	L174 I175 N180 N181 E211 N214 T215 E219	L174-R178 WeakPolarHBondContact O-CG 3.35Å; L174-R178 PolarHBondContact O-N 2.83Å; I175-R178 PolarHBondContact O-N 3.24Å; R178-N180 PolarHBondContact O-N 3.47Å; R178-N181 PolarHBondContact O-N 3.01Å; R178-E211 IonicContact CZ-OE2 3.63Å; R178-E211 IonicContact NH1-OE2 3.65Å; R178-E211 PolarHBondContact NH1-OE2 2.96Å; R178-E211 PolarHBondContact NH2-O 3.4Å; R178-N214 PolarHBondContact NH2-O 3.44Å; R178-T215 VanDerWaalsContact NH2-N 3.13Å; R178-E219 WeakPolarHBondContact CG-OE1 3.5Å; R178-E219 IonicContact NE-OE2 3.96Å
179	Q	68.6	Low	66.1	Low	96 Å²	96	59.5 Å²	59.5	45%	0.449	30%	0.301	S	S	.	.	H	α-helix	trans	-61.6	-32.1	178.8	-75	175.9	-10.3	0	0	112.3	I175 M177	I175-Q179 HydrophobicContact CG2-CG 4.44Å; I175-Q179 WeakPolarHBondContact O-CB 3.28Å; I175-Q179 VanDerWaalsContact O-CG 3.28Å; I175-Q179 WeakPolarHBondContact O-CG 3.32Å; I175-Q179 PolarHBondContact O-N 2.84Å; M177-Q179 PolarHBondContact O-N 3.09Å
180	N	63.9	Low	65.7	Low	4 Å²	4	60.1 Å²	60.1	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-90.7	-21.1	-178.7	-81	-79.4	0	0	0	113.9	L176 M177 R178 I182 I183 N189 L191 T192	L176-N180 WeakPolarHBondContact O-CB 3.45Å; L176-N180 PolarHBondContact O-N 2.76Å; L176-N180 PolarHBondContact O-ND2 3.18Å; M177-N180 PolarHBondContact O-N 2.98Å; R178-N180 PolarHBondContact O-N 3.47Å; N180-I182 VanDerWaalsContact C-N 3.25Å; N180-I182 PolarHBondContact O-N 3.46Å; N180-I183 PolarHBondContact O-N 2.89Å; N180-N189 PolarHBondContact OD1-ND2 2.98Å; N180-L191 VanDerWaalsContact ND2-CD2 3.35Å; N180-L191 WeakPolarHBondContact ND2-CD2 3.4Å; N180-T192 WeakPolarHBondContact CB-OG1 3.3Å
181	N	60.8	Low	65.7	Low	29 Å²	29	57 Å²	57	16%	0.155	29%	0.287	C	S	.	.	H	α-helix	trans	-65.7	-24.4	175.7	-82	-14.4	0	0	0	113.7	M177 R178 I183 Y186 T192 E219	M177-N181 VanDerWaalsContact O-CG 3.3Å; M177-N181 PolarHBondContact O-N 3.36Å; R178-N181 PolarHBondContact O-N 3.01Å; N181-I183 PolarHBondContact O-N 2.99Å; N181-Y186 WeakPolarHBondContact ND2-CE1 3.36Å; N181-Y186 PolarHBondContact ND2-OH 3.45Å; N181-Y186 VanDerWaalsContact ND2-OH 3.11Å; N181-Y186 WeakPolarHBondContact OD1-CE1 3.17Å; N181-T192 WeakPolarHBondContact OD1-CG2 3.32Å; N181-E219 PolarHBondContact ND2-OE1 3.34Å
182	I	52.5	Low	65.9	Low	84 Å²	84	51.8 Å²	51.8	43%	0.431	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-21.1	-178.6	-61.2	174.7	0	0	0	111.8	Q78 N180	Q78-I182 VanDerWaalsContact OE1-CD1 3.28Å; N180-I182 VanDerWaalsContact C-N 3.25Å; N180-I182 PolarHBondContact O-N 3.46Å
183	I	50.3	Low	66	Low	52 Å²	52	53 Å²	53	27%	0.267	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-35.4	-165.9	-59.4	177.9	0	0	0	112.9	N180 N181	N180-I183 PolarHBondContact O-N 2.89Å; N181-I183 PolarHBondContact O-N 2.99Å
184	N	46.9	Very low	66	Low	88 Å²	88	54.8 Å²	54.8	47%	0.471	27%	0.274	S	S	.	.	S	Bend	trans	-159.5	139.9	-179.7	-75.6	-49.6	0	0	0	110.4
185	N	52.7	Low	66.3	Low	134 Å²	134	54.8 Å²	54.8	72%	0.717	27%	0.274	S	S	*	.			trans	-33.2	135.9	174.1	-73.3	-24.5	0	0	0	113.2	E187 T188	N185-E187 PolarHBondContact O-N 3.47Å; N185-T188 PolarHBondContact O-N 2.95Å; N185-T188 PolarHBondContact O-OG1 3.33Å
186	Y	51.8	Low	66.7	Low	60 Å²	60	51.5 Å²	51.5	24%	0.235	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-36.6	-39.1	-177.4	-73.4	-90.8	0	0	0	114.7	N181 T188 T192 N193 I196 K218 E219	N181-Y186 WeakPolarHBondContact ND2-CE1 3.36Å; N181-Y186 PolarHBondContact ND2-OH 3.45Å; N181-Y186 VanDerWaalsContact ND2-OH 3.11Å; N181-Y186 WeakPolarHBondContact OD1-CE1 3.17Å; Y186-T188 VanDerWaalsContact C-N 3.25Å; Y186-T188 PolarHBondContact O-N 2.98Å; Y186-T192 HydrophobicContact CD1-CG2 4.15Å; Y186-N193 PolarHBondContact O-OD1 3.47Å; Y186-I196 HydrophobicContact CD1-CD1 4.18Å; Y186-K218 HydrophobicContact CE2-CB 4.39Å; Y186-E219 HydrophobicContact CE1-CG 4.1Å; Y186-E219 WeakPolarHBondContact OH-CG 3.29Å
187	E	51.1	Low	67.1	Low	172 Å²	172	54.7 Å²	54.7	80%	0.804	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-65.9	-20.8	-173.9	-62.9	177.8	166.7	0	0	114.7	N185	N185-E187 PolarHBondContact O-N 3.47Å
188	T	55.6	Low	67.5	Low	107 Å²	107	57.2 Å²	57.2	66%	0.656	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-108.4	-12.2	-170.3	42.7	0	0	0	0	115.3	N185 Y186	N185-T188 PolarHBondContact O-N 2.95Å; N185-T188 PolarHBondContact O-OG1 3.33Å; Y186-T188 VanDerWaalsContact C-N 3.25Å; Y186-T188 PolarHBondContact O-N 2.98Å
189	N	70	Confident	68.2	Low	8 Å²	8	54.4 Å²	54.4	4%	0.043	27%	0.27	C	S	.	.			trans	-97.1	107.4	-176.7	-164.4	-27.9	0	0	0	111.4	Y145 N180 L191 T192 N193	Y145-N189 PolarHBondContact OH-OD1 3.29Å; N180-N189 PolarHBondContact OD1-ND2 2.98Å; N189-L191 PolarHBondContact O-N 3.45Å; N189-L191 WeakPolarHBondContact OD1-CB 3.46Å; N189-L191 PolarHBondContact OD1-N 3.16Å; N189-L191 VanDerWaalsContact OD1-N 3.1Å; N189-T192 WeakPolarHBondContact CB-OG1 3.34Å; N189-T192 PolarHBondContact O-N 3.43Å; N189-T192 VanDerWaalsContact O-N 3.16Å; N189-N193 PolarHBondContact O-N 3.44Å; N189-N193 VanDerWaalsContact O-N 3.11Å
190	Q	73	Confident	69	Low	75 Å²	75	49.8 Å²	49.8	35%	0.35	25%	0.248	S	C	.	.	H	α-helix	trans	-57.6	-36.9	179.8	-168.3	-179.7	-3.5	0	0	112.2	I161 E194	I161-Q190 HydrophobicContact CD1-CB 3.71Å; I161-Q190 HydrophobicContact CD1-CG 3.67Å; Q190-E194 VanDerWaalsContact O-CG 3.29Å; Q190-E194 WeakPolarHBondContact O-CG 3.36Å; Q190-E194 PolarHBondContact O-N 3.26Å; Q190-E194 VanDerWaalsContact O-N 3.17Å
191	L	75.3	Confident	70.1	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-68.1	-43.1	177.3	178.7	59.1	0	0	0	112.2	Y145 I161 L164 N180 N189 N193 E194 C195	Y145-L191 HydrophobicContact CD1-CD2 3.89Å; Y145-L191 HydrophobicContact CE1-CB 3.88Å; Y145-L191 HydrophobicContact CE1-CD2 3.67Å; Y145-L191 HydrophobicContact CE1-CG 4.46Å; Y145-L191 HydrophobicContact CE2-CB 4.4Å; Y145-L191 WeakPolarHBondContact OH-CB 3.45Å; I161-L191 HydrophobicContact CG1-CB 4.33Å; L164-L191 HydrophobicContact CB-CD1 4.13Å; L164-L191 HydrophobicContact CD1-CD1 3.52Å; L164-L191 HydrophobicContact CD1-CD2 3.56Å; L164-L191 HydrophobicContact CD1-CG 4.2Å; L164-L191 HydrophobicContact CG-CD1 4.43Å; N180-L191 VanDerWaalsContact ND2-CD2 3.35Å; N180-L191 WeakPolarHBondContact ND2-CD2 3.4Å; N189-L191 PolarHBondContact O-N 3.45Å; N189-L191 WeakPolarHBondContact OD1-CB 3.46Å; N189-L191 PolarHBondContact OD1-N 3.16Å; N189-L191 VanDerWaalsContact OD1-N 3.1Å; L191-N193 VanDerWaalsContact C-N 3.32Å; L191-N193 PolarHBondContact O-N 3.07Å; L191-E194 PolarHBondContact O-N 3.29Å; L191-C195 PolarHBondContact O-N 3.03Å; L191-C195 PolarHBondContact O-SG 3.36Å; L191-C195 VanDerWaalsContact O-SG 3.38Å
192	T	77	Confident	71.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.2	-46.3	176.6	-59	0	0	0	0	110.6	M177 N180 N181 Y186 N189 E194 C195 I196	M177-T192 HydrophobicContact CG-CG2 4.01Å; N180-T192 WeakPolarHBondContact CB-OG1 3.3Å; N181-T192 WeakPolarHBondContact OD1-CG2 3.32Å; Y186-T192 HydrophobicContact CD1-CG2 4.15Å; N189-T192 WeakPolarHBondContact CB-OG1 3.34Å; N189-T192 PolarHBondContact O-N 3.43Å; N189-T192 VanDerWaalsContact O-N 3.16Å; T192-E194 VanDerWaalsContact C-N 3.3Å; T192-E194 PolarHBondContact O-N 3.43Å; T192-C195 PolarHBondContact O-N 2.92Å; T192-I196 HydrophobicContact CG2-CD1 3.83Å; T192-I196 HydrophobicContact CG2-CG1 4.41Å; T192-I196 VanDerWaalsContact O-CG1 3.3Å; T192-I196 WeakPolarHBondContact O-CG1 3.45Å; T192-I196 PolarHBondContact O-N 3.08Å
193	N	79.4	Confident	72.9	Confident	58 Å²	58	53 Å²	53	31%	0.31	26%	0.256	S	S	.	.	H	α-helix	trans	-60.5	-38.5	177.4	-72.7	-21.3	0	0	0	112.6	Y186 N189 L191 I196 K197	Y186-N193 PolarHBondContact O-OD1 3.47Å; N189-N193 PolarHBondContact O-N 3.44Å; N189-N193 VanDerWaalsContact O-N 3.11Å; L191-N193 VanDerWaalsContact C-N 3.32Å; L191-N193 PolarHBondContact O-N 3.07Å; N193-I196 PolarHBondContact O-N 3.47Å; N193-K197 WeakPolarHBondContact O-CG 3.47Å; N193-K197 PolarHBondContact O-N 2.78Å
194	E	79.5	Confident	74.4	Confident	37 Å²	37	52 Å²	52	17%	0.173	25%	0.251	C	S	.	.	H	α-helix	trans	-68.2	-40	175.4	-68.3	-64.9	144.3	0	0	112.6	I161 R165 Q190 L191 T192 K197 Y198	I161-E194 HydrophobicContact CG2-CG 4.14Å; R165-E194 IonicContact CZ-OE1 3.45Å; R165-E194 IonicContact CZ-OE2 3.92Å; R165-E194 VanDerWaalsContact CZ-OE2 3.29Å; R165-E194 VanDerWaalsContact NE-CD 3.32Å; R165-E194 IonicContact NE-OE1 2.69Å; R165-E194 IonicContact NE-OE2 3.08Å; R165-E194 PolarHBondContact NE-OE2 2.96Å; R165-E194 IonicContact NH2-OE1 2.58Å; R165-E194 PolarHBondContact NH2-OE1 3.11Å; R165-E194 IonicContact NH2-OE2 3.03Å; R165-E194 PolarHBondContact NH2-OE2 3.21Å; R165-E194 VanDerWaalsContact NH2-OE2 3.08Å; Q190-E194 VanDerWaalsContact O-CG 3.29Å; Q190-E194 WeakPolarHBondContact O-CG 3.36Å; Q190-E194 PolarHBondContact O-N 3.26Å; Q190-E194 VanDerWaalsContact O-N 3.17Å; L191-E194 PolarHBondContact O-N 3.29Å; T192-E194 VanDerWaalsContact C-N 3.3Å; T192-E194 PolarHBondContact O-N 3.43Å; E194-K197 PolarHBondContact O-N 2.89Å; E194-Y198 WeakPolarHBondContact O-CB 3.38Å; E194-Y198 PolarHBondContact O-N 3.2Å
195	C	83.8	Confident	76.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.3	-41.8	174	-68	0	0	0	0	111.7	M177 L191 T192 Y198 T199	M177-C195 HydrophobicContact CB-CB 3.98Å; L191-C195 PolarHBondContact O-N 3.03Å; L191-C195 PolarHBondContact O-SG 3.36Å; L191-C195 VanDerWaalsContact O-SG 3.38Å; T192-C195 PolarHBondContact O-N 2.92Å; C195-Y198 PolarHBondContact O-N 3.46Å; C195-T199 WeakPolarHBondContact O-CB 3.45Å; C195-T199 PolarHBondContact O-N 3.42Å; C195-T199 PolarHBondContact O-OG1 3.17Å
196	I	84.4	Confident	77.5	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.015	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-49.5	176.9	-70.9	168.4	0	0	0	110.2	M177 Y186 T192 N193 Y198 T199 A200 A222 I223 Q226	M177-I196 HydrophobicContact CG-CG1 4.25Å; M177-I196 HydrophobicContact SD-CD1 4.44Å; M177-I196 HydrophobicContact SD-CG1 3.59Å; M177-I196 VanDerWaalsContact SD-CG1 3.59Å; Y186-I196 HydrophobicContact CD1-CD1 4.18Å; T192-I196 HydrophobicContact CG2-CD1 3.83Å; T192-I196 HydrophobicContact CG2-CG1 4.41Å; T192-I196 VanDerWaalsContact O-CG1 3.3Å; T192-I196 WeakPolarHBondContact O-CG1 3.45Å; T192-I196 PolarHBondContact O-N 3.08Å; N193-I196 PolarHBondContact O-N 3.47Å; I196-Y198 PolarHBondContact O-N 3.5Å; I196-T199 PolarHBondContact O-N 3.33Å; I196-A200 WeakPolarHBondContact O-CB 3.46Å; I196-A200 PolarHBondContact O-N 3.11Å; I196-A222 HydrophobicContact CD1-CB 4.1Å; I196-A222 VanDerWaalsContact CG2-O 3.31Å; I196-A222 WeakPolarHBondContact CG2-O 3.34Å; I196-I223 HydrophobicContact CG2-CG1 4.19Å; I196-Q226 HydrophobicContact CG2-CG 3.53Å
197	K	84.4	Confident	78.9	Confident	78 Å²	78	45.2 Å²	45.2	34%	0.339	21%	0.213	S	C	.	.	H	α-helix	trans	-59	-43.8	176.8	-74.4	178.6	179.5	-169.4	0	113.1	N193 E194 T199 A200 K201	N193-K197 WeakPolarHBondContact O-CG 3.47Å; N193-K197 PolarHBondContact O-N 2.78Å; E194-K197 PolarHBondContact O-N 2.89Å; K197-T199 VanDerWaalsContact C-N 3.34Å; K197-A200 PolarHBondContact O-N 3.05Å; K197-K201 WeakPolarHBondContact O-CB 3.4Å; K197-K201 PolarHBondContact O-N 2.69Å; K197-K201 VanDerWaalsContact O-N 3.08Å
198	Y	85.5	Confident	80.1	Confident	54 Å²	54	44.3 Å²	44.3	21%	0.212	21%	0.214	C	C	.	.	H	α-helix	trans	-62.2	-45.1	176.1	-173.3	-83.9	0	0	0	111.1	L168 C173 E194 C195 I196 A200 K201 Y202	L168-Y198 HydrophobicContact CB-CD1 4.3Å; L168-Y198 HydrophobicContact CB-CD2 3.84Å; L168-Y198 HydrophobicContact CB-CE1 4.45Å; L168-Y198 HydrophobicContact CB-CE2 3.98Å; L168-Y198 HydrophobicContact CB-CG 4.02Å; L168-Y198 HydrophobicContact CD1-CD2 4.24Å; L168-Y198 HydrophobicContact CD1-CG 4.16Å; L168-Y198 PolarHBondContact O-OH 3.43Å; C173-Y198 HydrophobicContact CB-CD1 4.04Å; E194-Y198 WeakPolarHBondContact O-CB 3.38Å; E194-Y198 PolarHBondContact O-N 3.2Å; C195-Y198 PolarHBondContact O-N 3.46Å; I196-Y198 PolarHBondContact O-N 3.5Å; Y198-A200 PolarHBondContact O-N 2.91Å; Y198-K201 PolarHBondContact O-N 3.11Å; Y198-Y202 HydrophobicContact CD1-CD2 4.06Å; Y198-Y202 HydrophobicContact CD2-CD2 4.07Å; Y198-Y202 AromaticContact CD2-CE2 3.99Å; Y198-Y202 HydrophobicContact CD2-CE2 3.99Å; Y198-Y202 AromaticContact CE1-CD2 3.71Å; Y198-Y202 HydrophobicContact CE1-CD2 3.71Å; Y198-Y202 HydrophobicContact CE1-CE2 4.35Å; Y198-Y202 HydrophobicContact CE1-CG 4.45Å; Y198-Y202 AromaticContact CE2-CD2 3.74Å; Y198-Y202 HydrophobicContact CE2-CD2 3.74Å; Y198-Y202 AromaticContact CE2-CE2 3.53Å; Y198-Y202 HydrophobicContact CE2-CE2 3.53Å; Y198-Y202 HydrophobicContact CG-CD2 4.21Å; Y198-Y202 AromaticContact CZ-CD2 3.51Å; Y198-Y202 AromaticContact CZ-CE2 3.71Å; Y198-Y202 WeakPolarHBondContact O-CD2 3.37Å; Y198-Y202 PolarHBondContact O-N 2.85Å
199	T	85.7	Confident	81.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.7	-43.4	179.4	-53.4	0	0	0	0	111	L174 C195 I196 K197 K201 Y202 F203 M206 I223	L174-T199 HydrophobicContact CD2-CG2 3.98Å; C195-T199 WeakPolarHBondContact O-CB 3.45Å; C195-T199 PolarHBondContact O-N 3.42Å; C195-T199 PolarHBondContact O-OG1 3.17Å; I196-T199 PolarHBondContact O-N 3.33Å; K197-T199 VanDerWaalsContact C-N 3.34Å; T199-K201 PolarHBondContact O-N 3.41Å; T199-Y202 CarbonylContact O-C 3.43Å; T199-Y202 PolarHBondContact O-N 3.23Å; T199-F203 HydrophobicContact CG2-CD2 4.22Å; T199-F203 VanDerWaalsContact O-CA 3.25Å; T199-F203 WeakPolarHBondContact O-CA 3.43Å; T199-F203 WeakPolarHBondContact O-CB 3.39Å; T199-F203 PolarHBondContact O-N 2.69Å; T199-M206 HydrophobicContact CG2-CE 4.27Å; T199-M206 HydrophobicContact CG2-SD 4.08Å; T199-I223 HydrophobicContact CG2-CD1 3.76Å; T199-I223 HydrophobicContact CG2-CG1 4.22Å; T199-I223 HydrophobicContact CG2-CG2 4.11Å
200	A	86.5	Confident	81.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-43.2	177.1	0	0	0	0	0	112.3	I196 K197 Y198 Y202 I223 Q226 F229 K230	I196-A200 WeakPolarHBondContact O-CB 3.46Å; I196-A200 PolarHBondContact O-N 3.11Å; K197-A200 PolarHBondContact O-N 3.05Å; Y198-A200 PolarHBondContact O-N 2.91Å; A200-Y202 VanDerWaalsContact C-N 3.33Å; A200-Y202 PolarHBondContact O-N 3.18Å; A200-I223 HydrophobicContact CB-CG2 4.14Å; A200-I223 WeakPolarHBondContact CB-O 3.19Å; A200-Q226 HydrophobicContact CB-CB 3.67Å; A200-Q226 HydrophobicContact CB-CG 3.89Å; A200-F229 HydrophobicContact CB-CB 4.13Å; A200-F229 HydrophobicContact CB-CD2 4.24Å; A200-F229 WeakPolarHBondContact O-CA 3.27Å; A200-K230 PolarHBondContact O-N 3.29Å
201	K	86.3	Confident	81.7	Confident	108 Å²	108	46.2 Å²	46.2	47%	0.47	22%	0.22	S	C	.	.	H	α-helix	trans	-65.6	-32.7	-179.9	-176.1	177.9	178.5	-174.3	0	113.8	K197 Y198 T199 E228	K197-K201 WeakPolarHBondContact O-CB 3.4Å; K197-K201 PolarHBondContact O-N 2.69Å; K197-K201 VanDerWaalsContact O-N 3.08Å; Y198-K201 PolarHBondContact O-N 3.11Å; T199-K201 PolarHBondContact O-N 3.41Å; K201-E228 WeakPolarHBondContact CA-O 2.96Å
202	Y	84.5	Confident	82	Confident	74 Å²	74	46 Å²	46	29%	0.29	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115	17.7	-176.1	-63.1	-72.5	0	0	0	113.2	Y198 T199 A200 D204 K205	Y198-Y202 HydrophobicContact CD1-CD2 4.06Å; Y198-Y202 HydrophobicContact CD2-CD2 4.07Å; Y198-Y202 AromaticContact CD2-CE2 3.99Å; Y198-Y202 HydrophobicContact CD2-CE2 3.99Å; Y198-Y202 AromaticContact CE1-CD2 3.71Å; Y198-Y202 HydrophobicContact CE1-CD2 3.71Å; Y198-Y202 HydrophobicContact CE1-CE2 4.35Å; Y198-Y202 HydrophobicContact CE1-CG 4.45Å; Y198-Y202 AromaticContact CE2-CD2 3.74Å; Y198-Y202 HydrophobicContact CE2-CD2 3.74Å; Y198-Y202 AromaticContact CE2-CE2 3.53Å; Y198-Y202 HydrophobicContact CE2-CE2 3.53Å; Y198-Y202 HydrophobicContact CG-CD2 4.21Å; Y198-Y202 AromaticContact CZ-CD2 3.51Å; Y198-Y202 AromaticContact CZ-CE2 3.71Å; Y198-Y202 WeakPolarHBondContact O-CD2 3.37Å; Y198-Y202 PolarHBondContact O-N 2.85Å; T199-Y202 CarbonylContact O-C 3.43Å; T199-Y202 PolarHBondContact O-N 3.23Å; A200-Y202 VanDerWaalsContact C-N 3.33Å; A200-Y202 PolarHBondContact O-N 3.18Å; Y202-D204 VanDerWaalsContact C-N 3.25Å; Y202-D204 PolarHBondContact O-N 3.38Å; Y202-K205 PolarHBondContact O-N 2.71Å; Y202-K205 VanDerWaalsContact O-N 3.08Å
203	F	86.5	Confident	82.3	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.009	23%	0.226	C	C	.	.	H	α-helix	trans	-56.8	-39	-173.6	-164.6	-101.1	0	0	0	112.5	T199 K205 M206 L207 L220 I223 F229 L237 F240	T199-F203 HydrophobicContact CG2-CD2 4.22Å; T199-F203 VanDerWaalsContact O-CA 3.25Å; T199-F203 WeakPolarHBondContact O-CA 3.43Å; T199-F203 WeakPolarHBondContact O-CB 3.39Å; T199-F203 PolarHBondContact O-N 2.69Å; F203-K205 PolarHBondContact O-N 3.23Å; F203-K205 VanDerWaalsContact O-N 3.14Å; F203-M206 CarbonylContact O-C 3.46Å; F203-M206 WeakPolarHBondContact O-CA 2.99Å; F203-M206 PolarHBondContact O-N 3.36Å; F203-L207 HydrophobicContact CD1-CD2 3.8Å; F203-L207 HydrophobicContact CD1-CG 4.24Å; F203-L207 HydrophobicContact CE1-CD2 3.42Å; F203-L207 VanDerWaalsContact CE1-CD2 3.42Å; F203-L207 HydrophobicContact CE1-CG 4.3Å; F203-L207 HydrophobicContact CZ-CD2 4.35Å; F203-L207 PolarHBondContact O-N 3.02Å; F203-L207 VanDerWaalsContact O-N 3.1Å; F203-L220 HydrophobicContact CE2-CD1 4.18Å; F203-L220 HydrophobicContact CZ-CD1 3.93Å; F203-I223 HydrophobicContact CD2-CG2 3.78Å; F203-I223 HydrophobicContact CE2-CG2 4.02Å; F203-F229 HydrophobicContact CB-CD2 4.24Å; F203-F229 HydrophobicContact CB-CE2 3.66Å; F203-F229 HydrophobicContact CB-CZ 4.32Å; F203-F229 AromaticContact CD1-CE2 3.47Å; F203-F229 HydrophobicContact CD1-CE2 3.47Å; F203-F229 VanDerWaalsContact CD1-CE2 3.47Å; F203-F229 AromaticContact CD1-CZ 3.64Å; F203-F229 HydrophobicContact CD1-CZ 3.64Å; F203-F229 HydrophobicContact CD2-CE2 4.06Å; F203-F229 HydrophobicContact CE1-CE2 4.07Å; F203-F229 HydrophobicContact CE1-CZ 4.17Å; F203-F229 HydrophobicContact CG-CD2 4.38Å; F203-F229 AromaticContact CG-CE2 3.46Å; F203-F229 HydrophobicContact CG-CE2 3.46Å; F203-F229 VanDerWaalsContact CG-CE2 3.46Å; F203-F229 HydrophobicContact CG-CZ 4.09Å; F203-L237 HydrophobicContact CD1-CD1 4.43Å; F203-L237 HydrophobicContact CE1-CD1 3.8Å; F203-F240 HydrophobicContact CE1-CD1 4.37Å; F203-F240 HydrophobicContact CE1-CE1 4.44Å; F203-F240 HydrophobicContact CZ-CD1 4.22Å; F203-F240 AromaticContact CZ-CE1 3.83Å; F203-F240 HydrophobicContact CZ-CE1 3.83Å; F203-F240 HydrophobicContact CZ-CZ 4.26Å
204	D	83.4	Confident	82.6	Confident	32 Å²	32	48.1 Å²	48.1	17%	0.171	23%	0.23	C	C	.	.	H	α-helix	trans	-50.6	-37.4	177.2	-167.8	70.6	0	0	0	113.7	Y202 Q232	Y202-D204 VanDerWaalsContact C-N 3.25Å; Y202-D204 PolarHBondContact O-N 3.38Å; D204-Q232 PolarHBondContact OD1-N 3.22Å
205	K	82.1	Confident	82.8	Confident	126 Å²	126	46.5 Å²	46.5	55%	0.548	22%	0.222	S	C	.	.	H	α-helix	trans	-80.6	-20.7	177.8	-62.3	-174	179	-178	0	113.3	E170 Y202 F203	E170-K205 HydrophobicContact CG-CB 4.49Å; E170-K205 WeakPolarHBondContact OE1-CD 3.49Å; E170-K205 IonicContact OE1-NZ 2.74Å; E170-K205 PolarHBondContact OE1-NZ 2.87Å; Y202-K205 PolarHBondContact O-N 2.71Å; Y202-K205 VanDerWaalsContact O-N 3.08Å; F203-K205 PolarHBondContact O-N 3.23Å; F203-K205 VanDerWaalsContact O-N 3.14Å
206	M	82	Confident	82.9	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-96.5	-5	-175.6	-59.5	-174.7	59.4	0	0	113	E170 C173 L174 T199 F203 D208 N209 T212	E170-M206 HydrophobicContact CB-CG 4.15Å; E170-M206 HydrophobicContact CG-CG 4.15Å; E170-M206 VanDerWaalsContact O-CE 3.26Å; E170-M206 WeakPolarHBondContact O-CE 3.26Å; C173-M206 WeakPolarHBondContact SG-CE 3.22Å; L174-M206 HydrophobicContact CD1-CE 3.59Å; L174-M206 HydrophobicContact CG-CE 3.76Å; T199-M206 HydrophobicContact CG2-CE 4.27Å; T199-M206 HydrophobicContact CG2-SD 4.08Å; F203-M206 CarbonylContact O-C 3.46Å; F203-M206 WeakPolarHBondContact O-CA 2.99Å; F203-M206 PolarHBondContact O-N 3.36Å; M206-D208 PolarHBondContact O-N 3.48Å; M206-N209 VanDerWaalsContact O-CB 3.32Å; M206-N209 WeakPolarHBondContact O-CB 3.49Å; M206-N209 PolarHBondContact O-N 3.07Å; M206-T212 HydrophobicContact CB-CG2 3.63Å; M206-T212 HydrophobicContact CE-CG2 3.92Å; M206-T212 WeakPolarHBondContact O-CB 3.5Å; M206-T212 WeakPolarHBondContact O-CG2 3.34Å; M206-T212 PolarHBondContact O-OG1 3.19Å
207	L	81.2	Confident	83	Confident	11 Å²	11	53 Å²	53	6%	0.058	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-37	179.6	-75	167.2	0	0	0	112.8	F203 V231 K236 F240	F203-L207 HydrophobicContact CD1-CD2 3.8Å; F203-L207 HydrophobicContact CD1-CG 4.24Å; F203-L207 HydrophobicContact CE1-CD2 3.42Å; F203-L207 VanDerWaalsContact CE1-CD2 3.42Å; F203-L207 HydrophobicContact CE1-CG 4.3Å; F203-L207 HydrophobicContact CZ-CD2 4.35Å; F203-L207 PolarHBondContact O-N 3.02Å; F203-L207 VanDerWaalsContact O-N 3.1Å; L207-V231 HydrophobicContact CD1-CG2 4.18Å; L207-K236 HydrophobicContact CD1-CB 3.85Å; L207-K236 HydrophobicContact CD1-CD 4.38Å; L207-F240 HydrophobicContact CD2-CB 3.69Å; L207-F240 HydrophobicContact CD2-CD1 4.27Å; L207-F240 HydrophobicContact CD2-CD2 4.21Å; L207-F240 HydrophobicContact CD2-CG 3.79Å; L207-F240 WeakPolarHBondContact O-CD2 3.22Å
208	D	75.1	Confident	83	Confident	154 Å²	154	55.4 Å²	55.4	82%	0.824	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-0.7	-178.7	-61.4	-34	0	0	0	113.7	M206	M206-D208 PolarHBondContact O-N 3.48Å
209	N	77.3	Confident	82.9	Confident	39 Å²	39	53.1 Å²	53.1	21%	0.209	26%	0.256	C	S	.	.			trans	-77.4	136	-176.6	-165.9	-14.4	0	0	0	111.2	E170 M206 E211 T212 M213	E170-N209 PolarHBondContact O-ND2 3.41Å; M206-N209 VanDerWaalsContact O-CB 3.32Å; M206-N209 WeakPolarHBondContact O-CB 3.49Å; M206-N209 PolarHBondContact O-N 3.07Å; N209-E211 PolarHBondContact O-N 3.14Å; N209-E211 PolarHBondContact OD1-N 3.25Å; N209-T212 PolarHBondContact O-N 3.1Å; N209-T212 PolarHBondContact O-OG1 3.11Å; N209-M213 PolarHBondContact O-N 3.36Å
210	N	78.3	Confident	83	Confident	125 Å²	125	53.1 Å²	53.1	67%	0.668	26%	0.256	S	S	*	.	H	α-helix	trans	-61.9	-30.7	176	-75.7	-38.8	0	0	0	112.5	M213 N214	N210-M213 WeakPolarHBondContact O-CB 3.28Å; N210-M213 PolarHBondContact O-N 3.03Å; N210-N214 PolarHBondContact O-N 3.02Å; N210-N214 PolarHBondContact O-ND2 3.03Å
211	E	78.6	Confident	83.1	Confident	65 Å²	65	53.7 Å²	53.7	30%	0.304	26%	0.259	S	S	.	.	H	α-helix	trans	-69.2	-37.1	179.6	-69.9	-56.8	147.8	0	0	112.7	L174 R178 N209 M213 N214	L174-E211 HydrophobicContact CD1-CB 3.83Å; R178-E211 IonicContact CZ-OE2 3.63Å; R178-E211 IonicContact NH1-OE2 3.65Å; R178-E211 PolarHBondContact NH1-OE2 2.96Å; R178-E211 PolarHBondContact NH2-O 3.4Å; N209-E211 PolarHBondContact O-N 3.14Å; N209-E211 PolarHBondContact OD1-N 3.25Å; E211-M213 VanDerWaalsContact C-N 3.28Å; E211-M213 PolarHBondContact O-N 3.44Å; E211-N214 PolarHBondContact O-N 3Å
212	T	81.2	Confident	83.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.9	-37.2	174.3	44	0	0	0	0	110.8	L174 M206 N209 N214 T215	L174-T212 HydrophobicContact CD1-CG2 3.57Å; M206-T212 HydrophobicContact CB-CG2 3.63Å; M206-T212 HydrophobicContact CE-CG2 3.92Å; M206-T212 WeakPolarHBondContact O-CB 3.5Å; M206-T212 WeakPolarHBondContact O-CG2 3.34Å; M206-T212 PolarHBondContact O-OG1 3.19Å; N209-T212 PolarHBondContact O-N 3.1Å; N209-T212 PolarHBondContact O-OG1 3.11Å; T212-N214 PolarHBondContact O-N 3.19Å; T212-T215 WeakPolarHBondContact O-CB 3.31Å; T212-T215 VanDerWaalsContact O-CG2 3.31Å; T212-T215 WeakPolarHBondContact O-CG2 3.49Å; T212-T215 PolarHBondContact O-N 3.1Å; T212-T215 VanDerWaalsContact O-N 3.16Å; T212-T215 PolarHBondContact O-OG1 2.88Å
213	M	83.7	Confident	83.2	Confident	29 Å²	29	45.9 Å²	45.9	14%	0.143	23%	0.23	C	C	.	.	H	α-helix	trans	-64.6	-22.1	178.7	-162.8	58.7	67.6	0	0	113.8	N209 N210 E211 F240 I243 W244 K247 R252	N209-M213 PolarHBondContact O-N 3.36Å; N210-M213 WeakPolarHBondContact O-CB 3.28Å; N210-M213 PolarHBondContact O-N 3.03Å; E211-M213 VanDerWaalsContact C-N 3.28Å; E211-M213 PolarHBondContact O-N 3.44Å; M213-F240 HydrophobicContact CE-CD2 3.77Å; M213-F240 HydrophobicContact CE-CE2 3.78Å; M213-F240 HydrophobicContact SD-CE2 4.3Å; M213-I243 HydrophobicContact CE-CB 4.27Å; M213-I243 HydrophobicContact CE-CG2 3.72Å; M213-I243 HydrophobicContact SD-CG2 4.02Å; M213-W244 VanDerWaalsContact SD-CA 3.56Å; M213-W244 HydrophobicContact SD-CB 3.79Å; M213-W244 HydrophobicContact SD-CG 4.33Å; M213-K247 HydrophobicContact CG-CD 3.73Å; M213-R252 PolarHBondContact O-NH1 3.46Å; M213-R252 PolarHBondContact O-NH2 3.27Å; M213-R252 VanDerWaalsContact O-NH2 3.16Å
214	N	84.3	Confident	83.3	Confident	73 Å²	73	46 Å²	46	39%	0.39	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	1.9	179.1	-68.6	-21.7	0	0	0	113.9	R178 N210 E211 T212 K247	R178-N214 PolarHBondContact NH2-O 3.44Å; N210-N214 PolarHBondContact O-N 3.02Å; N210-N214 PolarHBondContact O-ND2 3.03Å; E211-N214 PolarHBondContact O-N 3Å; T212-N214 PolarHBondContact O-N 3.19Å; N214-K247 PolarHBondContact OD1-NZ 3.21Å
215	T	84.8	Confident	83.5	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.012	25%	0.248	C	C	.	.			trans	-59.6	143.7	177.2	49.9	0	0	0	0	111.7	L174 R178 T212 W244 R252	L174-T215 HydrophobicContact CD1-CG2 4.45Å; L174-T215 HydrophobicContact CD2-CG2 3.9Å; R178-T215 VanDerWaalsContact NH2-N 3.13Å; T212-T215 WeakPolarHBondContact O-CB 3.31Å; T212-T215 VanDerWaalsContact O-CG2 3.31Å; T212-T215 WeakPolarHBondContact O-CG2 3.49Å; T212-T215 PolarHBondContact O-N 3.1Å; T212-T215 VanDerWaalsContact O-N 3.16Å; T212-T215 PolarHBondContact O-OG1 2.88Å; T215-W244 WeakPolarHBondContact O-CZ2 3.41Å; T215-W244 PolarHBondContact O-NE1 2.84Å; T215-W244 PolarHBondContact OG1-NE1 3.08Å; T215-R252 PolarHBondContact O-NH2 3.14Å
216	E	84.9	Confident	83.6	Confident	119 Å²	119	46.2 Å²	46.2	56%	0.556	23%	0.232	S	C	*	.			trans	-75.7	155.4	172.5	-68.6	-168.2	173.2	0	0	110.9	K218 E219 L220	E216-K218 VanDerWaalsContact C-N 3.27Å; E216-K218 PolarHBondContact O-N 3.38Å; E216-E219 HydrophobicContact CB-CG 4.11Å; E216-E219 PolarHBondContact N-OE2 2.66Å; E216-E219 VanDerWaalsContact N-OE2 3.11Å; E216-E219 WeakPolarHBondContact O-CB 3.44Å; E216-E219 PolarHBondContact O-N 3.19Å; E216-L220 PolarHBondContact O-N 3.19Å
217	P	86	Confident	83.6	Confident	21 Å²	21	54 Å²	54	14%	0.136	27%	0.274	C	S	.	.	H	α-helix	trans	-54.8	-40.1	-177.4	-24	30.1	0	0	0	114.6	E219 L220 L221 W244 R252 Y255	P217-E219 VanDerWaalsContact C-N 3.35Å; P217-L220 PolarHBondContact O-N 3.18Å; P217-L221 WeakPolarHBondContact O-CG 3.37Å; P217-L221 PolarHBondContact O-N 3.16Å; P217-W244 HydrophobicContact CB-CH2 3.85Å; P217-W244 HydrophobicContact CB-CZ2 4.48Å; P217-W244 HydrophobicContact CG-CH2 3.8Å; P217-W244 HydrophobicContact CG-CZ2 4.28Å; P217-R252 HydrophobicContact CG-CG 4.29Å; P217-Y255 HydrophobicContact CB-CD1 4.12Å; P217-Y255 HydrophobicContact CB-CD2 3.42Å; P217-Y255 VanDerWaalsContact CB-CD2 3.42Å; P217-Y255 HydrophobicContact CB-CE1 4.13Å; P217-Y255 HydrophobicContact CB-CE2 3.44Å; P217-Y255 VanDerWaalsContact CB-CE2 3.44Å; P217-Y255 HydrophobicContact CB-CG 3.76Å; P217-Y255 HydrophobicContact CG-CD2 3.84Å; P217-Y255 HydrophobicContact CG-CE2 3.69Å
218	K	84.4	Confident	83.5	Confident	128 Å²	128	57.4 Å²	57.4	56%	0.557	29%	0.29	S	S	*	.	H	α-helix	trans	-68.1	-34.2	178	-65.7	-176.5	177.5	-177.8	0	112.5	Y186 E216 A222	Y186-K218 HydrophobicContact CE2-CB 4.39Å; E216-K218 VanDerWaalsContact C-N 3.27Å; E216-K218 PolarHBondContact O-N 3.38Å; K218-A222 WeakPolarHBondContact O-CB 3.42Å; K218-A222 PolarHBondContact O-N 3.23Å; K218-A222 VanDerWaalsContact O-N 3.1Å
219	E	84.9	Confident	84	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.028	25%	0.252	C	S	.	.	H	α-helix	trans	-67.1	-46.8	175.6	-64.4	-179.7	156.1	0	0	110.6	M177 R178 N181 Y186 E216 P217 A222 I223	M177-E219 HydrophobicContact CE-CB 3.8Å; M177-E219 HydrophobicContact CE-CG 3.9Å; R178-E219 WeakPolarHBondContact CG-OE1 3.5Å; R178-E219 IonicContact NE-OE2 3.96Å; N181-E219 PolarHBondContact ND2-OE1 3.34Å; Y186-E219 HydrophobicContact CE1-CG 4.1Å; Y186-E219 WeakPolarHBondContact OH-CG 3.29Å; E216-E219 HydrophobicContact CB-CG 4.11Å; E216-E219 PolarHBondContact N-OE2 2.66Å; E216-E219 VanDerWaalsContact N-OE2 3.11Å; E216-E219 WeakPolarHBondContact O-CB 3.44Å; E216-E219 PolarHBondContact O-N 3.19Å; P217-E219 VanDerWaalsContact C-N 3.35Å; E219-A222 PolarHBondContact O-N 3.45Å; E219-I223 WeakPolarHBondContact O-CD1 3.41Å; E219-I223 VanDerWaalsContact O-CG1 3.29Å; E219-I223 WeakPolarHBondContact O-CG1 3.31Å; E219-I223 PolarHBondContact O-N 3.3Å; E219-I223 VanDerWaalsContact O-N 3.11Å
220	L	88	Confident	84.3	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-44.8	-178.9	-177.8	60	0	0	0	111.3	F203 E216 P217 I223 L224 F240 W244 L259	F203-L220 HydrophobicContact CE2-CD1 4.18Å; F203-L220 HydrophobicContact CZ-CD1 3.93Å; E216-L220 PolarHBondContact O-N 3.19Å; P217-L220 PolarHBondContact O-N 3.18Å; L220-I223 WeakPolarHBondContact O-CB 3.25Å; L220-I223 PolarHBondContact O-N 3.19Å; L220-L224 HydrophobicContact CD1-CD1 4.33Å; L220-L224 HydrophobicContact CD1-CG 4.25Å; L220-L224 HydrophobicContact CG-CD1 4.07Å; L220-L224 HydrophobicContact CG-CG 4.39Å; L220-L224 WeakPolarHBondContact O-CG 3.34Å; L220-L224 PolarHBondContact O-N 3Å; L220-F240 HydrophobicContact CD1-CE1 4.02Å; L220-F240 HydrophobicContact CD2-CE1 4.21Å; L220-W244 HydrophobicContact CB-CZ2 4.39Å; L220-W244 HydrophobicContact CD2-CD2 3.8Å; L220-W244 HydrophobicContact CD2-CE3 3.95Å; L220-W244 HydrophobicContact CD2-CG 4.36Å; L220-W244 HydrophobicContact CD2-CH2 4.13Å; L220-W244 HydrophobicContact CD2-CZ2 3.96Å; L220-W244 HydrophobicContact CD2-CZ3 4.12Å; L220-L259 HydrophobicContact CD2-CD2 3.88Å; L220-L259 HydrophobicContact CG-CD2 4.08Å
221	L	87.7	Confident	84.6	Confident	11 Å²	11	47.7 Å²	47.7	6%	0.058	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-47	175.5	-74.8	168.1	0	0	0	111.7	P217 I223 L224 E225 Y255 Q258 L259	P217-L221 WeakPolarHBondContact O-CG 3.37Å; P217-L221 PolarHBondContact O-N 3.16Å; L221-I223 PolarHBondContact O-N 2.69Å; L221-I223 VanDerWaalsContact O-N 3.14Å; L221-L224 PolarHBondContact O-N 2.72Å; L221-L224 VanDerWaalsContact O-N 3.07Å; L221-E225 WeakPolarHBondContact O-CB 3.34Å; L221-E225 VanDerWaalsContact O-CG 3.28Å; L221-E225 WeakPolarHBondContact O-CG 3.17Å; L221-E225 PolarHBondContact O-N 3.2Å; L221-Y255 HydrophobicContact CD1-CD1 3.62Å; L221-Y255 HydrophobicContact CD1-CE1 4.26Å; L221-Y255 HydrophobicContact CD1-CG 4.42Å; L221-Q258 HydrophobicContact CD1-CB 4.46Å; L221-Q258 VanDerWaalsContact CD1-OE1 3.26Å; L221-Q258 HydrophobicContact CD2-CB 3.82Å; L221-L259 HydrophobicContact CD2-CD2 3.7Å; L221-L259 HydrophobicContact CD2-CG 4.19Å; L221-L259 HydrophobicContact CG-CD2 4.13Å
222	A	85.8	Confident	84.8	Confident	17 Å²	17	53.1 Å²	53.1	14%	0.14	26%	0.259	C	S	.	.	H	α-helix	trans	-59.1	-30.5	177.9	0	0	0	0	0	113.1	I196 K218 E219 Q226	I196-A222 HydrophobicContact CD1-CB 4.1Å; I196-A222 VanDerWaalsContact CG2-O 3.31Å; I196-A222 WeakPolarHBondContact CG2-O 3.34Å; K218-A222 WeakPolarHBondContact O-CB 3.42Å; K218-A222 PolarHBondContact O-N 3.23Å; K218-A222 VanDerWaalsContact O-N 3.1Å; E219-A222 PolarHBondContact O-N 3.45Å; A222-Q226 WeakPolarHBondContact O-CG 3.5Å; A222-Q226 PolarHBondContact O-NE2 3.44Å
223	I	87.2	Confident	84.9	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-74.6	-45.7	174	-66	160.7	0	0	0	111.5	L174 M177 I196 T199 A200 F203 E219 L220 L221 E225 Q226 F229	L174-I223 HydrophobicContact CD2-CD1 4.25Å; M177-I223 HydrophobicContact CE-CD1 4.38Å; M177-I223 HydrophobicContact SD-CD1 4.4Å; I196-I223 HydrophobicContact CG2-CG1 4.19Å; T199-I223 HydrophobicContact CG2-CD1 3.76Å; T199-I223 HydrophobicContact CG2-CG1 4.22Å; T199-I223 HydrophobicContact CG2-CG2 4.11Å; A200-I223 HydrophobicContact CB-CG2 4.14Å; A200-I223 WeakPolarHBondContact CB-O 3.19Å; F203-I223 HydrophobicContact CD2-CG2 3.78Å; F203-I223 HydrophobicContact CE2-CG2 4.02Å; E219-I223 WeakPolarHBondContact O-CD1 3.41Å; E219-I223 VanDerWaalsContact O-CG1 3.29Å; E219-I223 WeakPolarHBondContact O-CG1 3.31Å; E219-I223 PolarHBondContact O-N 3.3Å; E219-I223 VanDerWaalsContact O-N 3.11Å; L220-I223 WeakPolarHBondContact O-CB 3.25Å; L220-I223 PolarHBondContact O-N 3.19Å; L221-I223 PolarHBondContact O-N 2.69Å; L221-I223 VanDerWaalsContact O-N 3.14Å; I223-E225 VanDerWaalsContact C-N 3.31Å; I223-E225 PolarHBondContact O-N 3.23Å; I223-Q226 PolarHBondContact O-N 3.43Å; I223-F229 HydrophobicContact CG2-CD2 4.3Å
224	L	87.9	Confident	85.1	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-69.1	-28.2	-178.6	-66.3	177.5	0	0	0	113	L220 L221 Q226 F229 L237 I241 L259 H262	L220-L224 HydrophobicContact CD1-CD1 4.33Å; L220-L224 HydrophobicContact CD1-CG 4.25Å; L220-L224 HydrophobicContact CG-CD1 4.07Å; L220-L224 HydrophobicContact CG-CG 4.39Å; L220-L224 WeakPolarHBondContact O-CG 3.34Å; L220-L224 PolarHBondContact O-N 3Å; L221-L224 PolarHBondContact O-N 2.72Å; L221-L224 VanDerWaalsContact O-N 3.07Å; L224-Q226 VanDerWaalsContact C-N 3.32Å; L224-F229 HydrophobicContact CD2-CD2 4.07Å; L224-F229 HydrophobicContact CD2-CE1 4.28Å; L224-F229 HydrophobicContact CD2-CE2 3.41Å; L224-F229 VanDerWaalsContact CD2-CE2 3.41Å; L224-F229 HydrophobicContact CD2-CZ 3.5Å; L224-L237 HydrophobicContact CD2-CD1 4.12Å; L224-I241 HydrophobicContact CD1-CD1 4.4Å; L224-L259 HydrophobicContact CD1-CD2 3.52Å; L224-H262 HydrophobicContact CB-CB 4.07Å; L224-H262 HydrophobicContact CD1-CB 4.36Å
225	E	87.2	Confident	85.3	Confident	115 Å²	115	53.4 Å²	53.4	54%	0.537	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-11.8	177.7	-74.6	173.6	-174.5	0	0	113.7	L221 I223 H262	L221-E225 WeakPolarHBondContact O-CB 3.34Å; L221-E225 VanDerWaalsContact O-CG 3.28Å; L221-E225 WeakPolarHBondContact O-CG 3.17Å; L221-E225 PolarHBondContact O-N 3.2Å; I223-E225 VanDerWaalsContact C-N 3.31Å; I223-E225 PolarHBondContact O-N 3.23Å; E225-H262 VanDerWaalsContact CG-CE1 3.5Å; E225-H262 WeakPolarHBondContact CG-CE1 3.49Å
226	Q	85.2	Confident	85.5	Confident	48 Å²	48	58.1 Å²	58.1	22%	0.224	28%	0.278	C	S	.	.			trans	-70	137.3	179.1	-62.2	-55.3	-66.8	0	0	112.1	I196 A200 A222 I223 L224 E228 F229	I196-Q226 HydrophobicContact CG2-CG 3.53Å; A200-Q226 HydrophobicContact CB-CB 3.67Å; A200-Q226 HydrophobicContact CB-CG 3.89Å; A222-Q226 WeakPolarHBondContact O-CG 3.5Å; A222-Q226 PolarHBondContact O-NE2 3.44Å; I223-Q226 PolarHBondContact O-N 3.43Å; L224-Q226 VanDerWaalsContact C-N 3.32Å; Q226-E228 PolarHBondContact O-N 2.75Å; Q226-F229 WeakPolarHBondContact O-CB 3.32Å; Q226-F229 PolarHBondContact O-N 3.46Å
227	D	80.9	Confident	85.8	Confident	165 Å²	165	52.4 Å²	52.4	88%	0.882	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-33	175.7	-68	-27.2	0	0	0	112.5	F229	D227-F229 PolarHBondContact O-N 3.36Å
228	E	80	Confident	86	Confident	82 Å²	82	51.4 Å²	51.4	38%	0.383	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	6	178.8	-56	92.8	156.5	0	0	114.2	K201 Q226 K230	K201-E228 WeakPolarHBondContact CA-O 2.96Å; Q226-E228 PolarHBondContact O-N 2.75Å; E228-K230 PolarHBondContact O-N 2.7Å
229	F	86.2	Confident	86.2	Confident	6 Å²	6	49.3 Å²	49.3	3%	0.026	24%	0.237	C	C	.	.			trans	-61.5	122	179.2	-179.4	-86.9	0	0	0	111.7	A200 F203 I223 L224 Q226 D227 V231 L237 R310	A200-F229 HydrophobicContact CB-CB 4.13Å; A200-F229 HydrophobicContact CB-CD2 4.24Å; A200-F229 WeakPolarHBondContact O-CA 3.27Å; F203-F229 HydrophobicContact CB-CD2 4.24Å; F203-F229 HydrophobicContact CB-CE2 3.66Å; F203-F229 HydrophobicContact CB-CZ 4.32Å; F203-F229 AromaticContact CD1-CE2 3.47Å; F203-F229 HydrophobicContact CD1-CE2 3.47Å; F203-F229 VanDerWaalsContact CD1-CE2 3.47Å; F203-F229 AromaticContact CD1-CZ 3.64Å; F203-F229 HydrophobicContact CD1-CZ 3.64Å; F203-F229 HydrophobicContact CD2-CE2 4.06Å; F203-F229 HydrophobicContact CE1-CE2 4.07Å; F203-F229 HydrophobicContact CE1-CZ 4.17Å; F203-F229 HydrophobicContact CG-CD2 4.38Å; F203-F229 AromaticContact CG-CE2 3.46Å; F203-F229 HydrophobicContact CG-CE2 3.46Å; F203-F229 VanDerWaalsContact CG-CE2 3.46Å; F203-F229 HydrophobicContact CG-CZ 4.09Å; I223-F229 HydrophobicContact CG2-CD2 4.3Å; L224-F229 HydrophobicContact CD2-CD2 4.07Å; L224-F229 HydrophobicContact CD2-CE1 4.28Å; L224-F229 HydrophobicContact CD2-CE2 3.41Å; L224-F229 VanDerWaalsContact CD2-CE2 3.41Å; L224-F229 HydrophobicContact CD2-CZ 3.5Å; Q226-F229 WeakPolarHBondContact O-CB 3.32Å; Q226-F229 PolarHBondContact O-N 3.46Å; D227-F229 PolarHBondContact O-N 3.36Å; F229-V231 HydrophobicContact CE1-CB 3.99Å; F229-V231 HydrophobicContact CE1-CG1 3.87Å; F229-V231 HydrophobicContact CZ-CB 4.27Å; F229-L237 HydrophobicContact CE1-CD2 4.03Å; F229-L237 HydrophobicContact CZ-CD1 4.07Å; F229-L237 HydrophobicContact CZ-CD2 4.06Å; F229-R310 VanDerWaalsContact CD1-CZ 3.48Å; F229-R310 VanDerWaalsContact CE1-CZ 3.45Å
230	K	82.4	Confident	86.4	Confident	90 Å²	90	49.4 Å²	49.4	39%	0.391	24%	0.238	S	C	.	.			trans	-127.3	125.1	-179.7	-70.8	-178.3	176.9	-106	0	111.4	A200 E228 D311	A200-K230 PolarHBondContact O-N 3.29Å; E228-K230 PolarHBondContact O-N 2.7Å; K230-D311 IonicContact NZ-OD1 2.71Å; K230-D311 PolarHBondContact NZ-OD1 3.04Å; K230-D311 IonicContact NZ-OD2 2.63Å
231	V	85.8	Confident	86.6	Confident	18 Å²	18	49.4 Å²	49.4	11%	0.109	24%	0.237	C	C	.	.			trans	-130.3	136.7	166.7	68.8	0	0	0	0	108.5	L207 F229 D233 E234 L237	L207-V231 HydrophobicContact CD1-CG2 4.18Å; F229-V231 HydrophobicContact CE1-CB 3.99Å; F229-V231 HydrophobicContact CE1-CG1 3.87Å; F229-V231 HydrophobicContact CZ-CB 4.27Å; V231-D233 WeakPolarHBondContact CG2-O 3.39Å; V231-E234 WeakPolarHBondContact CG1-OE1 2.94Å; V231-L237 HydrophobicContact CG1-CB 4.47Å; V231-L237 HydrophobicContact CG1-CD2 4.17Å; V231-L237 HydrophobicContact CG2-CB 4.24Å
232	Q	81.3	Confident	86.6	Confident	180 Å²	180	49.9 Å²	49.9	84%	0.841	24%	0.239	S	C	*	.	S	Bend	trans	-79.8	-33.5	-179.6	-66.3	-172.8	2.7	0	0	111.9	D204	D204-Q232 PolarHBondContact OD1-N 3.22Å
233	D	83.6	Confident	86.7	Confident	55 Å²	55	53.4 Å²	53.4	29%	0.294	26%	0.255	S	S	.	.			trans	-128.7	107.5	-176.4	-172	3	0	0	0	110.6	V231 W235 K236 L237	V231-D233 WeakPolarHBondContact CG2-O 3.39Å; D233-W235 PolarHBondContact O-N 3.05Å; D233-W235 WeakPolarHBondContact OD1-CB 3.49Å; D233-W235 PolarHBondContact OD1-N 3.12Å; D233-K236 HydrophobicContact CB-CB 4.46Å; D233-K236 HydrophobicContact CB-CD 4.23Å; D233-K236 HydrophobicContact CB-CG 4.04Å; D233-K236 PolarHBondContact O-N 2.65Å; D233-L237 PolarHBondContact O-N 3.3Å
234	E	88.9	Confident	86.9	Confident	9 Å²	9	53.4 Å²	53.4	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-60	-24.6	176.8	-69	-70.7	155.4	0	0	112.1	V231 L237 L238 R264 L267 I268 R310	V231-E234 WeakPolarHBondContact CG1-OE1 2.94Å; E234-L237 PolarHBondContact O-N 3.07Å; E234-L238 PolarHBondContact O-N 2.98Å; E234-R264 HydrophobicContact CG-CB 4.07Å; E234-R264 PolarHBondContact OE2-N 3.39Å; E234-L267 HydrophobicContact CB-CB 4.48Å; E234-L267 HydrophobicContact CG-CB 3.97Å; E234-L267 HydrophobicContact CG-CD1 4.04Å; E234-I268 HydrophobicContact CB-CD1 4.38Å; E234-I268 HydrophobicContact CB-CG1 3.78Å; E234-R310 IonicContact OE1-CZ 2.75Å; E234-R310 IonicContact OE1-NE 3.88Å; E234-R310 PolarHBondContact OE1-NE 3.46Å; E234-R310 IonicContact OE1-NH2 3.72Å; E234-R310 PolarHBondContact OE1-NH2 2.83Å; E234-R310 IonicContact OE2-NH2 2.76Å; E234-R310 PolarHBondContact OE2-NH2 3.37Å
235	W	88.2	Confident	86.9	Confident	44 Å²	44	53.4 Å²	53.4	17%	0.167	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-43.8	173.5	172.5	-98.8	0	0	0	111.8	D233 L237 L238 E239 I268 K272 I276	D233-W235 PolarHBondContact O-N 3.05Å; D233-W235 WeakPolarHBondContact OD1-CB 3.49Å; D233-W235 PolarHBondContact OD1-N 3.12Å; W235-L237 VanDerWaalsContact C-N 3.31Å; W235-L237 PolarHBondContact O-N 2.83Å; W235-L238 HydrophobicContact CE3-CD2 4.23Å; W235-L238 HydrophobicContact CZ3-CD2 4.2Å; W235-L238 WeakPolarHBondContact O-CB 3.45Å; W235-L238 PolarHBondContact O-N 3.1Å; W235-E239 HydrophobicContact CD2-CG 4.4Å; W235-E239 VanDerWaalsContact CE2-CD 3.5Å; W235-E239 HydrophobicContact CZ2-CG 3.92Å; W235-E239 PolarHBondContact NE1-OE1 2.71Å; W235-E239 PolarHBondContact NE1-OE2 2.72Å; W235-E239 PolarHBondContact O-N 3.3Å; W235-I268 HydrophobicContact CB-CG2 4.44Å; W235-I268 HydrophobicContact CE3-CG2 3.8Å; W235-K272 HydrophobicContact CB-CD 4.39Å; W235-K272 VanDerWaalsContact CD1-NZ 3.27Å; W235-K272 HydrophobicContact CD2-CD 3.59Å; W235-K272 HydrophobicContact CE3-CB 3.82Å; W235-K272 HydrophobicContact CE3-CD 3.7Å; W235-K272 HydrophobicContact CE3-CG 4.34Å; W235-K272 HydrophobicContact CG-CD 3.86Å; W235-K272 VanDerWaalsContact CG-NZ 3.31Å; W235-K272 HydrophobicContact CH2-CB 4.31Å; W235-K272 HydrophobicContact CZ3-CB 3.67Å; W235-K272 HydrophobicContact CZ3-CD 4.2Å; W235-K272 HydrophobicContact CZ3-CG 4.39Å; W235-I276 HydrophobicContact CE3-CD1 4.49Å; W235-I276 HydrophobicContact CH2-CG1 4.37Å; W235-I276 HydrophobicContact CZ3-CD1 3.71Å; W235-I276 HydrophobicContact CZ3-CG1 3.97Å
236	K	89.2	Confident	86.9	Confident	100 Å²	100	54.1 Å²	54.1	44%	0.435	25%	0.253	S	S	.	.	H	α-helix	trans	-66.3	-35.8	178.7	-65.5	-175.6	178.2	-176.6	0	112	L207 D233 E239 F240	L207-K236 HydrophobicContact CD1-CB 3.85Å; L207-K236 HydrophobicContact CD1-CD 4.38Å; D233-K236 HydrophobicContact CB-CB 4.46Å; D233-K236 HydrophobicContact CB-CD 4.23Å; D233-K236 HydrophobicContact CB-CG 4.04Å; D233-K236 PolarHBondContact O-N 2.65Å; K236-E239 PolarHBondContact O-N 3.16Å; K236-F240 WeakPolarHBondContact O-CB 3.11Å; K236-F240 PolarHBondContact O-N 3.19Å
237	L	91.2	Very high	86.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-45.6	174.5	-179.5	58.9	0	0	0	111.1	F203 L224 F229 V231 D233 E234 W235 F240 I241 I263	F203-L237 HydrophobicContact CD1-CD1 4.43Å; F203-L237 HydrophobicContact CE1-CD1 3.8Å; L224-L237 HydrophobicContact CD2-CD1 4.12Å; F229-L237 HydrophobicContact CE1-CD2 4.03Å; F229-L237 HydrophobicContact CZ-CD1 4.07Å; F229-L237 HydrophobicContact CZ-CD2 4.06Å; V231-L237 HydrophobicContact CG1-CB 4.47Å; V231-L237 HydrophobicContact CG1-CD2 4.17Å; V231-L237 HydrophobicContact CG2-CB 4.24Å; D233-L237 PolarHBondContact O-N 3.3Å; E234-L237 PolarHBondContact O-N 3.07Å; W235-L237 VanDerWaalsContact C-N 3.31Å; W235-L237 PolarHBondContact O-N 2.83Å; L237-F240 PolarHBondContact O-N 2.86Å; L237-I241 HydrophobicContact CD1-CD1 3.95Å; L237-I241 HydrophobicContact CD1-CG1 4.34Å; L237-I241 HydrophobicContact CG-CD1 3.98Å; L237-I241 WeakPolarHBondContact O-CG1 3.19Å; L237-I241 PolarHBondContact O-N 2.74Å; L237-I263 HydrophobicContact CD2-CG1 4.34Å; L237-I263 HydrophobicContact CG-CG1 4.45Å
238	L	90.1	Very high	87.2	Confident	0 Å²	0	52 Å²	52	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.4	-47.9	175.8	-177.7	84.8	0	0	0	111.6	E234 W235 F240 I241 H242 I263 F265 I268 I276 M282 F285	E234-L238 PolarHBondContact O-N 2.98Å; W235-L238 HydrophobicContact CE3-CD2 4.23Å; W235-L238 HydrophobicContact CZ3-CD2 4.2Å; W235-L238 WeakPolarHBondContact O-CB 3.45Å; W235-L238 PolarHBondContact O-N 3.1Å; L238-F240 VanDerWaalsContact C-N 3.34Å; L238-F240 PolarHBondContact O-N 3.04Å; L238-I241 PolarHBondContact O-N 3.26Å; L238-H242 WeakPolarHBondContact O-CB 3.4Å; L238-H242 PolarHBondContact O-N 3.19Å; L238-I263 HydrophobicContact CD1-CD1 3.76Å; L238-I263 HydrophobicContact CD1-CG2 4.41Å; L238-F265 HydrophobicContact CD1-CD1 4.33Å; L238-F265 HydrophobicContact CD1-CE1 3.43Å; L238-F265 VanDerWaalsContact CD1-CE1 3.43Å; L238-F265 HydrophobicContact CD1-CZ 3.83Å; L238-I268 HydrophobicContact CB-CD1 4.26Å; L238-I268 HydrophobicContact CD2-CD1 4.16Å; L238-I276 HydrophobicContact CD2-CD1 3.35Å; L238-I276 HydrophobicContact CD2-CG1 4.35Å; L238-M282 HydrophobicContact CD2-CE 4.01Å; L238-M282 HydrophobicContact CG-CE 4.3Å; L238-F285 HydrophobicContact CD1-CD1 3.85Å; L238-F285 HydrophobicContact CD1-CD2 4.35Å; L238-F285 HydrophobicContact CD1-CE1 3.94Å; L238-F285 HydrophobicContact CD1-CE2 4.42Å; L238-F285 HydrophobicContact CD1-CG 4.06Å; L238-F285 HydrophobicContact CD1-CZ 4.23Å
239	E	87.8	Confident	87.4	Confident	83 Å²	83	51.1 Å²	51.1	39%	0.388	24%	0.24	S	C	.	.	H	α-helix	trans	-59.2	-44.9	177.2	-78.7	-172.1	129.9	0	0	111.6	W235 K236 H242 I243	W235-E239 HydrophobicContact CD2-CG 4.4Å; W235-E239 VanDerWaalsContact CE2-CD 3.5Å; W235-E239 HydrophobicContact CZ2-CG 3.92Å; W235-E239 PolarHBondContact NE1-OE1 2.71Å; W235-E239 PolarHBondContact NE1-OE2 2.72Å; W235-E239 PolarHBondContact O-N 3.3Å; K236-E239 PolarHBondContact O-N 3.16Å; E239-H242 PolarHBondContact O-N 2.77Å; E239-I243 VanDerWaalsContact O-CG1 3.28Å; E239-I243 WeakPolarHBondContact O-CG1 3.48Å; E239-I243 PolarHBondContact O-N 3.03Å
240	F	90.6	Very high	87.2	Confident	9 Å²	9	57.3 Å²	57.3	4%	0.039	27%	0.273	C	S	.	.	H	α-helix	trans	-58.6	-49.6	175.6	170.4	-93.9	0	0	0	111.6	F203 L207 M213 L220 K236 L237 L238 H242 I243 W244	F203-F240 HydrophobicContact CE1-CD1 4.37Å; F203-F240 HydrophobicContact CE1-CE1 4.44Å; F203-F240 HydrophobicContact CZ-CD1 4.22Å; F203-F240 AromaticContact CZ-CE1 3.83Å; F203-F240 HydrophobicContact CZ-CE1 3.83Å; F203-F240 HydrophobicContact CZ-CZ 4.26Å; L207-F240 HydrophobicContact CD2-CB 3.69Å; L207-F240 HydrophobicContact CD2-CD1 4.27Å; L207-F240 HydrophobicContact CD2-CD2 4.21Å; L207-F240 HydrophobicContact CD2-CG 3.79Å; L207-F240 WeakPolarHBondContact O-CD2 3.22Å; M213-F240 HydrophobicContact CE-CD2 3.77Å; M213-F240 HydrophobicContact CE-CE2 3.78Å; M213-F240 HydrophobicContact SD-CE2 4.3Å; L220-F240 HydrophobicContact CD1-CE1 4.02Å; L220-F240 HydrophobicContact CD2-CE1 4.21Å; K236-F240 WeakPolarHBondContact O-CB 3.11Å; K236-F240 PolarHBondContact O-N 3.19Å; L237-F240 PolarHBondContact O-N 2.86Å; L238-F240 VanDerWaalsContact C-N 3.34Å; L238-F240 PolarHBondContact O-N 3.04Å; F240-H242 VanDerWaalsContact C-N 3.31Å; F240-H242 PolarHBondContact O-N 3.34Å; F240-I243 PolarHBondContact O-N 3.16Å; F240-W244 HydrophobicContact CE1-CB 4.37Å; F240-W244 HydrophobicContact CE1-CG 4.48Å; F240-W244 HydrophobicContact CZ-CB 4.43Å; F240-W244 HydrophobicContact CZ-CG 4.43Å; F240-W244 WeakPolarHBondContact O-CB 3.45Å; F240-W244 PolarHBondContact O-N 3.47Å
241	I	90.5	Very high	87.4	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-41	179.7	-71.9	169.4	0	0	0	110.5	L224 L237 L238 W244 I245 L259 I263 F285	L224-I241 HydrophobicContact CD1-CD1 4.4Å; L237-I241 HydrophobicContact CD1-CD1 3.95Å; L237-I241 HydrophobicContact CD1-CG1 4.34Å; L237-I241 HydrophobicContact CG-CD1 3.98Å; L237-I241 WeakPolarHBondContact O-CG1 3.19Å; L237-I241 PolarHBondContact O-N 2.74Å; L238-I241 PolarHBondContact O-N 3.26Å; I241-W244 PolarHBondContact O-N 2.89Å; I241-I245 HydrophobicContact CG2-CD1 3.78Å; I241-I245 HydrophobicContact CG2-CG1 4.37Å; I241-I245 WeakPolarHBondContact O-CB 3.45Å; I241-I245 VanDerWaalsContact O-CG1 3.26Å; I241-I245 WeakPolarHBondContact O-CG1 3.45Å; I241-I245 PolarHBondContact O-N 2.9Å; I241-L259 HydrophobicContact CG2-CB 4.32Å; I241-L259 HydrophobicContact CG2-CD1 4.3Å; I241-I263 HydrophobicContact CD1-CD1 3.54Å; I241-I263 HydrophobicContact CD1-CG1 3.74Å; I241-F285 HydrophobicContact CG2-CE1 4.47Å; I241-F285 HydrophobicContact CG2-CZ 4.37Å
242	H	88.7	Confident	87.6	Confident	21 Å²	21	57.5 Å²	57.5	10%	0.097	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-49.3	176.2	179.7	59.2	0	0	0	112.3	L238 E239 F240 W244 I245 R246 E281 M282 F285	L238-H242 WeakPolarHBondContact O-CB 3.4Å; L238-H242 PolarHBondContact O-N 3.19Å; E239-H242 PolarHBondContact O-N 2.77Å; F240-H242 VanDerWaalsContact C-N 3.31Å; F240-H242 PolarHBondContact O-N 3.34Å; H242-W244 VanDerWaalsContact C-N 3.34Å; H242-I245 PolarHBondContact O-N 2.66Å; H242-R246 WeakPolarHBondContact NE2-CD 3.15Å; H242-R246 WeakPolarHBondContact O-CG 3.35Å; H242-R246 PolarHBondContact O-N 2.92Å; H242-E281 PolarHBondContact CE1-O 3.03Å; H242-M282 HydrophobicContact CB-CE 4.1Å; H242-M282 HydrophobicContact CB-SD 3.92Å; H242-M282 PolarHBondContact CD2-SD 3.46Å; H242-M282 PolarHBondContact CE1-SD 3.19Å; H242-M282 PolarHBondContact ND1-SD 2.86Å; H242-M282 PolarHBondContact NE2-SD 3.02Å; H242-M282 VanDerWaalsContact NE2-SD 3.42Å; H242-F285 HydrophobicContact CB-CE2 3.81Å; H242-F285 HydrophobicContact CB-CZ 4.1Å; H242-F285 AromaticContact ND1-CE2 3.74Å
243	I	88	Confident	87.8	Confident	92 Å²	92	53.4 Å²	53.4	47%	0.472	26%	0.257	S	S	.	.	H	α-helix	trans	-65.4	-40.6	179.2	-65.1	166.3	0	0	0	110.5	M213 E239 F240 R246 K247	M213-I243 HydrophobicContact CE-CB 4.27Å; M213-I243 HydrophobicContact CE-CG2 3.72Å; M213-I243 HydrophobicContact SD-CG2 4.02Å; E239-I243 VanDerWaalsContact O-CG1 3.28Å; E239-I243 WeakPolarHBondContact O-CG1 3.48Å; E239-I243 PolarHBondContact O-N 3.03Å; F240-I243 PolarHBondContact O-N 3.16Å; I243-R246 PolarHBondContact O-N 3.32Å; I243-K247 PolarHBondContact O-N 3.24Å; I243-K247 VanDerWaalsContact O-N 3.12Å
244	W	90.4	Very high	88	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-43.1	178.4	-177.4	95.1	0	0	0	111.5	M213 T215 P217 L220 F240 I241 H242 K247 R252 L259	M213-W244 VanDerWaalsContact SD-CA 3.56Å; M213-W244 HydrophobicContact SD-CB 3.79Å; M213-W244 HydrophobicContact SD-CG 4.33Å; T215-W244 WeakPolarHBondContact O-CZ2 3.41Å; T215-W244 PolarHBondContact O-NE1 2.84Å; T215-W244 PolarHBondContact OG1-NE1 3.08Å; P217-W244 HydrophobicContact CB-CH2 3.85Å; P217-W244 HydrophobicContact CB-CZ2 4.48Å; P217-W244 HydrophobicContact CG-CH2 3.8Å; P217-W244 HydrophobicContact CG-CZ2 4.28Å; L220-W244 HydrophobicContact CB-CZ2 4.39Å; L220-W244 HydrophobicContact CD2-CD2 3.8Å; L220-W244 HydrophobicContact CD2-CE3 3.95Å; L220-W244 HydrophobicContact CD2-CG 4.36Å; L220-W244 HydrophobicContact CD2-CH2 4.13Å; L220-W244 HydrophobicContact CD2-CZ2 3.96Å; L220-W244 HydrophobicContact CD2-CZ3 4.12Å; F240-W244 HydrophobicContact CE1-CB 4.37Å; F240-W244 HydrophobicContact CE1-CG 4.48Å; F240-W244 HydrophobicContact CZ-CB 4.43Å; F240-W244 HydrophobicContact CZ-CG 4.43Å; F240-W244 WeakPolarHBondContact O-CB 3.45Å; F240-W244 PolarHBondContact O-N 3.47Å; I241-W244 PolarHBondContact O-N 2.89Å; H242-W244 VanDerWaalsContact C-N 3.34Å; W244-K247 PolarHBondContact O-N 3.47Å; W244-R252 VanDerWaalsContact CD1-NH1 3.35Å; W244-R252 VanDerWaalsContact CE2-CZ 3.47Å; W244-R252 HydrophobicContact CE3-CB 4.15Å; W244-R252 HydrophobicContact CE3-CG 4.19Å; W244-R252 HydrophobicContact CH2-CB 3.91Å; W244-R252 HydrophobicContact CH2-CG 3.54Å; W244-R252 HydrophobicContact CZ2-CG 4Å; W244-R252 HydrophobicContact CZ3-CB 3.55Å; W244-R252 HydrophobicContact CZ3-CG 3.65Å; W244-R252 WeakPolarHBondContact O-CD 3.37Å; W244-R252 PolarHBondContact O-NH1 3.14Å; W244-L259 HydrophobicContact CE3-CD1 4.24Å; W244-L259 HydrophobicContact CZ3-CD1 3.71Å
245	I	88.4	Confident	88	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-63.4	-45.1	173.9	-67.7	169	0	0	0	110.4	I241 H242 K247 D248 C249 I256 L259	I241-I245 HydrophobicContact CG2-CD1 3.78Å; I241-I245 HydrophobicContact CG2-CG1 4.37Å; I241-I245 WeakPolarHBondContact O-CB 3.45Å; I241-I245 VanDerWaalsContact O-CG1 3.26Å; I241-I245 WeakPolarHBondContact O-CG1 3.45Å; I241-I245 PolarHBondContact O-N 2.9Å; H242-I245 PolarHBondContact O-N 2.66Å; I245-K247 PolarHBondContact O-N 2.92Å; I245-D248 CarbonylContact O-C 3.44Å; I245-D248 VanDerWaalsContact O-C 3.3Å; I245-D248 PolarHBondContact O-N 2.92Å; I245-C249 WeakPolarHBondContact O-CA 3.35Å; I245-C249 PolarHBondContact O-N 3.49Å; I245-C249 VanDerWaalsContact O-N 3.13Å; I245-C249 PolarHBondContact O-SG 3.05Å; I245-I256 HydrophobicContact CD1-CB 4.37Å; I245-I256 HydrophobicContact CD1-CD1 4.1Å; I245-I256 HydrophobicContact CD1-CG1 3.95Å; I245-L259 HydrophobicContact CD1-CD1 4.46Å
246	R	86.7	Confident	87.9	Confident	130 Å²	130	60.1 Å²	60.1	49%	0.491	28%	0.284	S	S	.	.	H	α-helix	trans	-59.7	-28.8	-179.5	-80.3	-176.7	80.7	153.3	8.6	113.9	H242 I243 E281	H242-R246 WeakPolarHBondContact NE2-CD 3.15Å; H242-R246 WeakPolarHBondContact O-CG 3.35Å; H242-R246 PolarHBondContact O-N 2.92Å; I243-R246 PolarHBondContact O-N 3.32Å; R246-E281 IonicContact CZ-OE1 3.91Å; R246-E281 IonicContact CZ-OE2 3.45Å; R246-E281 IonicContact NH1-OE1 3.75Å; R246-E281 IonicContact NH1-OE2 3.36Å; R246-E281 PolarHBondContact NH1-OE2 2.62Å; R246-E281 IonicContact NH2-OE1 2.66Å; R246-E281 PolarHBondContact NH2-OE1 2.93Å; R246-E281 IonicContact NH2-OE2 2.67Å
247	K	86.7	Confident	87.8	Confident	117 Å²	117	60.9 Å²	60.9	51%	0.509	29%	0.289	S	S	.	.	H	α-helix	trans	-69.5	-30.5	-178.5	-169.2	175.7	-175.9	180	0	113.4	M213 N214 I243 W244 I245	M213-K247 HydrophobicContact CG-CD 3.73Å; N214-K247 PolarHBondContact OD1-NZ 3.21Å; I243-K247 PolarHBondContact O-N 3.24Å; I243-K247 VanDerWaalsContact O-N 3.12Å; W244-K247 PolarHBondContact O-N 3.47Å; I245-K247 PolarHBondContact O-N 2.92Å
248	D	86.4	Confident	87.6	Confident	53 Å²	53	65.3 Å²	65.3	28%	0.283	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.4	70.9	176.8	179.7	7.7	0	0	0	109.8	I245 D250 N251 R252	I245-D248 CarbonylContact O-C 3.44Å; I245-D248 VanDerWaalsContact O-C 3.3Å; I245-D248 PolarHBondContact O-N 2.92Å; D248-D250 VanDerWaalsContact C-N 3.27Å; D248-D250 PolarHBondContact O-N 2.94Å; D248-N251 PolarHBondContact O-N 2.76Å; D248-N251 PolarHBondContact OD1-N 3.08Å; D248-N251 PolarHBondContact OD1-ND2 2.87Å; D248-N251 WeakPolarHBondContact OD2-CB 3.04Å; D248-N251 PolarHBondContact OD2-ND2 2.66Å; D248-R252 HydrophobicContact CB-CG 4.11Å; D248-R252 WeakPolarHBondContact O-CB 3.25Å; D248-R252 WeakPolarHBondContact O-CG 3.22Å; D248-R252 PolarHBondContact O-N 3.23Å
249	C	83.2	Confident	87.6	Confident	63 Å²	63	65.3 Å²	65.3	43%	0.426	31%	0.31	S	S	.	.	H	α-helix	trans	-56.6	-40.5	-175.6	-70.2	0	0	0	0	112.3	I245 N251 H253	I245-C249 WeakPolarHBondContact O-CA 3.35Å; I245-C249 PolarHBondContact O-N 3.49Å; I245-C249 VanDerWaalsContact O-N 3.13Å; I245-C249 PolarHBondContact O-SG 3.05Å; C249-N251 PolarHBondContact O-N 3.24Å; C249-H253 WeakPolarHBondContact O-CB 3.27Å; C249-H253 PolarHBondContact O-N 2.85Å
250	D	83.2	Confident	87.6	Confident	136 Å²	136	61.5 Å²	61.5	73%	0.727	29%	0.292	S	S	*	.	H	α-helix	trans	-64.2	-39.7	-171.6	-65.4	-31	0	0	0	112.4	D248	D248-D250 VanDerWaalsContact C-N 3.27Å; D248-D250 PolarHBondContact O-N 2.94Å
251	N	86.4	Confident	87.4	Confident	94 Å²	94	68.1 Å²	68.1	50%	0.503	32%	0.323	S	S	.	.	H	α-helix	trans	-91	-33	179.2	-63.1	-48.5	0	0	0	113.1	D248 C249 Y255	D248-N251 PolarHBondContact O-N 2.76Å; D248-N251 PolarHBondContact OD1-N 3.08Å; D248-N251 PolarHBondContact OD1-ND2 2.87Å; D248-N251 WeakPolarHBondContact OD2-CB 3.04Å; D248-N251 PolarHBondContact OD2-ND2 2.66Å; C249-N251 PolarHBondContact O-N 3.24Å; N251-Y255 WeakPolarHBondContact O-CE2 3.38Å
252	R	89.7	Confident	87.3	Confident	18 Å²	18	70.1 Å²	70.1	7%	0.068	33%	0.332	C	S	.	.	H	α-helix	trans	-90.8	-28.3	-169.3	-62.1	177	175.3	-172.2	-9.6	113.7	M213 T215 P217 W244 D248 K254 Y255	M213-R252 PolarHBondContact O-NH1 3.46Å; M213-R252 PolarHBondContact O-NH2 3.27Å; M213-R252 VanDerWaalsContact O-NH2 3.16Å; T215-R252 PolarHBondContact O-NH2 3.14Å; P217-R252 HydrophobicContact CG-CG 4.29Å; W244-R252 VanDerWaalsContact CD1-NH1 3.35Å; W244-R252 VanDerWaalsContact CE2-CZ 3.47Å; W244-R252 HydrophobicContact CE3-CB 4.15Å; W244-R252 HydrophobicContact CE3-CG 4.19Å; W244-R252 HydrophobicContact CH2-CB 3.91Å; W244-R252 HydrophobicContact CH2-CG 3.54Å; W244-R252 HydrophobicContact CZ2-CG 4Å; W244-R252 HydrophobicContact CZ3-CB 3.55Å; W244-R252 HydrophobicContact CZ3-CG 3.65Å; W244-R252 WeakPolarHBondContact O-CD 3.37Å; W244-R252 PolarHBondContact O-NH1 3.14Å; D248-R252 HydrophobicContact CB-CG 4.11Å; D248-R252 WeakPolarHBondContact O-CB 3.25Å; D248-R252 WeakPolarHBondContact O-CG 3.22Å; D248-R252 PolarHBondContact O-N 3.23Å; R252-K254 PolarHBondContact O-N 3.48Å; R252-K254 VanDerWaalsContact O-N 3.12Å; R252-Y255 PolarHBondContact O-N 3.45Å; R252-Y255 VanDerWaalsContact O-N 3.08Å
253	H	85.8	Confident	87.4	Confident	94 Å²	94	69.5 Å²	69.5	44%	0.435	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-59.5	-29	-176.1	-172.2	75.1	0	0	0	113.4	C249 Y255 I256	C249-H253 WeakPolarHBondContact O-CB 3.27Å; C249-H253 PolarHBondContact O-N 2.85Å; H253-Y255 PolarHBondContact O-N 3.27Å; H253-I256 WeakPolarHBondContact O-CB 3.26Å; H253-I256 VanDerWaalsContact O-CG2 3.29Å; H253-I256 WeakPolarHBondContact O-CG2 3.36Å; H253-I256 PolarHBondContact O-N 2.92Å
254	K	88.4	Confident	87.3	Confident	170 Å²	170	68.5 Å²	68.5	74%	0.739	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-63.7	-20.4	178.9	-61	175.9	-172.4	170	0	114	R252	R252-K254 PolarHBondContact O-N 3.48Å; R252-K254 VanDerWaalsContact O-N 3.12Å
255	Y	88.3	Confident	87.2	Confident	64 Å²	64	68.9 Å²	68.9	25%	0.251	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-99.4	5.3	-176.3	-61.7	-87.5	0	0	0	112.8	P217 L221 N251 R252 H253 E257 Q258 L259	P217-Y255 HydrophobicContact CB-CD1 4.12Å; P217-Y255 HydrophobicContact CB-CD2 3.42Å; P217-Y255 VanDerWaalsContact CB-CD2 3.42Å; P217-Y255 HydrophobicContact CB-CE1 4.13Å; P217-Y255 HydrophobicContact CB-CE2 3.44Å; P217-Y255 VanDerWaalsContact CB-CE2 3.44Å; P217-Y255 HydrophobicContact CB-CG 3.76Å; P217-Y255 HydrophobicContact CG-CD2 3.84Å; P217-Y255 HydrophobicContact CG-CE2 3.69Å; L221-Y255 HydrophobicContact CD1-CD1 3.62Å; L221-Y255 HydrophobicContact CD1-CE1 4.26Å; L221-Y255 HydrophobicContact CD1-CG 4.42Å; N251-Y255 WeakPolarHBondContact O-CE2 3.38Å; R252-Y255 PolarHBondContact O-N 3.45Å; R252-Y255 VanDerWaalsContact O-N 3.08Å; H253-Y255 PolarHBondContact O-N 3.27Å; Y255-E257 PolarHBondContact O-N 3.29Å; Y255-Q258 PolarHBondContact O-N 3.38Å; Y255-L259 VanDerWaalsContact O-CG 3.27Å; Y255-L259 WeakPolarHBondContact O-CG 3.42Å; Y255-L259 PolarHBondContact O-N 3.27Å
256	I	86.4	Confident	86.9	Confident	15 Å²	15	70 Å²	70	8%	0.077	33%	0.327	C	S	.	.	H	α-helix	trans	-60.8	-43.3	-171.8	-167	169.5	0	0	0	113.7	I245 H253 Q258 L259 C260 I284	I245-I256 HydrophobicContact CD1-CB 4.37Å; I245-I256 HydrophobicContact CD1-CD1 4.1Å; I245-I256 HydrophobicContact CD1-CG1 3.95Å; H253-I256 WeakPolarHBondContact O-CB 3.26Å; H253-I256 VanDerWaalsContact O-CG2 3.29Å; H253-I256 WeakPolarHBondContact O-CG2 3.36Å; H253-I256 PolarHBondContact O-N 2.92Å; I256-Q258 VanDerWaalsContact C-N 3.35Å; I256-Q258 PolarHBondContact O-N 3.14Å; I256-L259 PolarHBondContact O-N 3.18Å; I256-C260 WeakPolarHBondContact O-CB 3.02Å; I256-C260 PolarHBondContact O-N 3.46Å; I256-C260 PolarHBondContact O-SG 3.48Å; I256-I284 HydrophobicContact CD1-CB 3.46Å; I256-I284 VanDerWaalsContact CD1-CB 3.46Å; I256-I284 HydrophobicContact CD1-CD1 3.68Å; I256-I284 HydrophobicContact CD1-CG1 3.76Å; I256-I284 HydrophobicContact CD1-CG2 4.24Å
257	E	86.2	Confident	86.8	Confident	115 Å²	115	66.4 Å²	66.4	54%	0.537	32%	0.317	S	S	.	.	H	α-helix	trans	-60.3	-47.9	179.7	-66.5	-67.9	154.7	0	0	110	Y255 L259 C260 E261 H288	Y255-E257 PolarHBondContact O-N 3.29Å; E257-L259 PolarHBondContact O-N 3.08Å; E257-C260 PolarHBondContact O-N 3.37Å; E257-E261 WeakPolarHBondContact O-CG 3.17Å; E257-E261 PolarHBondContact O-N 3.12Å; E257-E261 VanDerWaalsContact O-N 3.14Å; E257-H288 IonicContact OE2-CE1 3.65Å; E257-H288 IonicContact OE2-NE2 3.55Å
258	Q	87.8	Confident	86.7	Confident	94 Å²	94	61.1 Å²	61.1	44%	0.439	29%	0.294	S	S	.	.	H	α-helix	trans	-62.2	-42.8	177.4	-65.4	176.6	-9.3	0	0	111.7	L221 Y255 I256 E261 H262	L221-Q258 HydrophobicContact CD1-CB 4.46Å; L221-Q258 VanDerWaalsContact CD1-OE1 3.26Å; L221-Q258 HydrophobicContact CD2-CB 3.82Å; Y255-Q258 PolarHBondContact O-N 3.38Å; I256-Q258 VanDerWaalsContact C-N 3.35Å; I256-Q258 PolarHBondContact O-N 3.14Å; Q258-E261 PolarHBondContact O-N 3.02Å; Q258-H262 PolarHBondContact O-CD2 3.26Å
259	L	90.1	Very high	86.5	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.8	-39.6	177.9	-68.5	170.4	0	0	0	112.1	L220 L221 L224 I241 W244 I245 Y255 I256 E257 E261 H262	L220-L259 HydrophobicContact CD2-CD2 3.88Å; L220-L259 HydrophobicContact CG-CD2 4.08Å; L221-L259 HydrophobicContact CD2-CD2 3.7Å; L221-L259 HydrophobicContact CD2-CG 4.19Å; L221-L259 HydrophobicContact CG-CD2 4.13Å; L224-L259 HydrophobicContact CD1-CD2 3.52Å; I241-L259 HydrophobicContact CG2-CB 4.32Å; I241-L259 HydrophobicContact CG2-CD1 4.3Å; W244-L259 HydrophobicContact CE3-CD1 4.24Å; W244-L259 HydrophobicContact CZ3-CD1 3.71Å; I245-L259 HydrophobicContact CD1-CD1 4.46Å; Y255-L259 VanDerWaalsContact O-CG 3.27Å; Y255-L259 WeakPolarHBondContact O-CG 3.42Å; Y255-L259 PolarHBondContact O-N 3.27Å; I256-L259 PolarHBondContact O-N 3.18Å; E257-L259 PolarHBondContact O-N 3.08Å; L259-E261 VanDerWaalsContact C-N 3.33Å; L259-E261 PolarHBondContact O-N 2.98Å; L259-H262 PolarHBondContact O-N 3.38Å
260	C	87.9	Confident	86.4	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.014	29%	0.293	C	S	.	.	H	α-helix	trans	-69	-29.6	-179.2	-69.6	0	0	0	0	112.7	I256 E257 H262 I263 F265 H288	I256-C260 WeakPolarHBondContact O-CB 3.02Å; I256-C260 PolarHBondContact O-N 3.46Å; I256-C260 PolarHBondContact O-SG 3.48Å; E257-C260 PolarHBondContact O-N 3.37Å; C260-H262 PolarHBondContact O-N 3.48Å; C260-I263 PolarHBondContact O-N 3.39Å; C260-I263 VanDerWaalsContact O-N 3.08Å; C260-F265 HydrophobicContact CB-CE2 4.17Å; C260-F265 HydrophobicContact CB-CZ 4.37Å; C260-H288 WeakPolarHBondContact CB-NE2 3.5Å
261	E	87	Confident	86.3	Confident	148 Å²	148	59 Å²	59	69%	0.692	28%	0.28	S	S	*	.	H	α-helix	trans	-60.1	-26.4	173.3	-73.7	176.4	-175.9	0	0	112.7	E257 Q258 L259	E257-E261 WeakPolarHBondContact O-CG 3.17Å; E257-E261 PolarHBondContact O-N 3.12Å; E257-E261 VanDerWaalsContact O-N 3.14Å; Q258-E261 PolarHBondContact O-N 3.02Å; L259-E261 VanDerWaalsContact C-N 3.33Å; L259-E261 PolarHBondContact O-N 2.98Å
262	H	88	Confident	86.3	Confident	42 Å²	42	57.8 Å²	57.8	19%	0.194	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-4.5	177.4	-63.5	-69.2	0	0	0	114.3	L224 E225 Q258 L259 C260 R310	L224-H262 HydrophobicContact CB-CB 4.07Å; L224-H262 HydrophobicContact CD1-CB 4.36Å; E225-H262 VanDerWaalsContact CG-CE1 3.5Å; E225-H262 WeakPolarHBondContact CG-CE1 3.49Å; Q258-H262 PolarHBondContact O-CD2 3.26Å; L259-H262 PolarHBondContact O-N 3.38Å; C260-H262 PolarHBondContact O-N 3.48Å; H262-R310 PolarHBondContact O-NH2 3.4Å
263	I	89.6	Confident	86.1	Confident	8 Å²	8	56.9 Å²	56.9	4%	0.041	27%	0.267	C	S	.	.			trans	-96.5	124.9	177.7	-54	174.6	0	0	0	109.2	L237 L238 I241 C260 F265 I268	L237-I263 HydrophobicContact CD2-CG1 4.34Å; L237-I263 HydrophobicContact CG-CG1 4.45Å; L238-I263 HydrophobicContact CD1-CD1 3.76Å; L238-I263 HydrophobicContact CD1-CG2 4.41Å; I241-I263 HydrophobicContact CD1-CD1 3.54Å; I241-I263 HydrophobicContact CD1-CG1 3.74Å; C260-I263 PolarHBondContact O-N 3.39Å; C260-I263 VanDerWaalsContact O-N 3.08Å; I263-F265 VanDerWaalsContact C-N 3.32Å; I263-F265 HydrophobicContact CB-CD2 4.06Å; I263-F265 HydrophobicContact CB-CE2 3.72Å; I263-F265 HydrophobicContact CB-CZ 4.19Å; I263-F265 HydrophobicContact CD1-CE2 4.43Å; I263-F265 HydrophobicContact CD1-CZ 4.14Å; I263-F265 HydrophobicContact CG2-CD1 4.44Å; I263-F265 HydrophobicContact CG2-CD2 4.02Å; I263-F265 HydrophobicContact CG2-CE1 4.41Å; I263-F265 HydrophobicContact CG2-CE2 3.97Å; I263-F265 HydrophobicContact CG2-CG 4.25Å; I263-F265 HydrophobicContact CG2-CZ 4.17Å; I263-F265 VanDerWaalsContact O-CD2 3.32Å; I263-F265 WeakPolarHBondContact O-CD2 3.5Å; I263-F265 PolarHBondContact O-N 3.44Å; I263-F265 VanDerWaalsContact O-N 3.09Å; I263-I268 HydrophobicContact CG2-CD1 4.49Å
264	R	87.7	Confident	86	Confident	72 Å²	72	56.4 Å²	56.4	27%	0.272	27%	0.267	S	S	.	.			trans	-89	73.7	176.8	-69.2	146.9	-179.7	-119.9	11.7	109.3	E234 Q266 L267 W308 N309	E234-R264 HydrophobicContact CG-CB 4.07Å; E234-R264 PolarHBondContact OE2-N 3.39Å; R264-Q266 PolarHBondContact O-N 3.06Å; R264-L267 HydrophobicContact CB-CD1 4.05Å; R264-L267 HydrophobicContact CB-CG 4.13Å; R264-L267 WeakPolarHBondContact O-CB 3.14Å; R264-L267 PolarHBondContact O-N 3.18Å; R264-W308 WeakPolarHBondContact CD-O 3.31Å; R264-W308 PolarHBondContact NH1-O 3.23Å; R264-N309 PolarHBondContact NH1-O 2.93Å
265	F	87	Confident	85.9	Confident	7 Å²	7	52.4 Å²	52.4	3%	0.031	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-50.2	-31.3	-178.9	-71.4	-90.9	0	0	0	113.3	L238 C260 I263 L267 I268 L273 F285 H288 V289 A292	L238-F265 HydrophobicContact CD1-CD1 4.33Å; L238-F265 HydrophobicContact CD1-CE1 3.43Å; L238-F265 VanDerWaalsContact CD1-CE1 3.43Å; L238-F265 HydrophobicContact CD1-CZ 3.83Å; C260-F265 HydrophobicContact CB-CE2 4.17Å; C260-F265 HydrophobicContact CB-CZ 4.37Å; I263-F265 VanDerWaalsContact C-N 3.32Å; I263-F265 HydrophobicContact CB-CD2 4.06Å; I263-F265 HydrophobicContact CB-CE2 3.72Å; I263-F265 HydrophobicContact CB-CZ 4.19Å; I263-F265 HydrophobicContact CD1-CE2 4.43Å; I263-F265 HydrophobicContact CD1-CZ 4.14Å; I263-F265 HydrophobicContact CG2-CD1 4.44Å; I263-F265 HydrophobicContact CG2-CD2 4.02Å; I263-F265 HydrophobicContact CG2-CE1 4.41Å; I263-F265 HydrophobicContact CG2-CE2 3.97Å; I263-F265 HydrophobicContact CG2-CG 4.25Å; I263-F265 HydrophobicContact CG2-CZ 4.17Å; I263-F265 VanDerWaalsContact O-CD2 3.32Å; I263-F265 WeakPolarHBondContact O-CD2 3.5Å; I263-F265 PolarHBondContact O-N 3.44Å; I263-F265 VanDerWaalsContact O-N 3.09Å; F265-L267 PolarHBondContact O-N 2.94Å; F265-I268 HydrophobicContact CD1-CD1 4.35Å; F265-I268 WeakPolarHBondContact O-CB 3.34Å; F265-I268 PolarHBondContact O-N 3.3Å; F265-L273 HydrophobicContact CD1-CD2 4.39Å; F265-F285 HydrophobicContact CE1-CB 4.33Å; F265-F285 HydrophobicContact CE1-CD1 4.41Å; F265-F285 HydrophobicContact CZ-CD1 4.12Å; F265-H288 HydrophobicContact CD2-CB 3.94Å; F265-H288 HydrophobicContact CE1-CB 4.14Å; F265-H288 HydrophobicContact CE2-CB 3.52Å; F265-H288 HydrophobicContact CG-CB 4.43Å; F265-H288 HydrophobicContact CZ-CB 3.63Å; F265-V289 HydrophobicContact CD1-CG2 3.84Å; F265-V289 HydrophobicContact CE1-CG2 3.94Å; F265-A292 HydrophobicContact CB-CB 3.43Å; F265-A292 VanDerWaalsContact CB-CB 3.43Å; F265-A292 HydrophobicContact CG-CB 4.48Å
266	Q	82.9	Confident	85.8	Confident	29 Å²	29	49.5 Å²	49.5	14%	0.136	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-67.8	-15.5	179.1	-57.6	85.3	-8.5	0	0	113.8	R264 A292 D295 L296 W308	R264-Q266 PolarHBondContact O-N 3.06Å; Q266-A292 HydrophobicContact CG-CB 3.96Å; Q266-D295 HydrophobicContact CG-CB 4.19Å; Q266-D295 PolarHBondContact NE2-OD2 3.04Å; Q266-L296 HydrophobicContact CB-CD2 4.08Å; Q266-L296 HydrophobicContact CB-CG 4.08Å; Q266-L296 HydrophobicContact CG-CG 4.31Å; Q266-L296 WeakPolarHBondContact O-CD2 3.37Å; Q266-W308 HydrophobicContact CB-CD2 3.54Å; Q266-W308 HydrophobicContact CB-CE3 3.25Å; Q266-W308 HydrophobicContact CB-CG 4.1Å; Q266-W308 HydrophobicContact CB-CH2 4.21Å; Q266-W308 HydrophobicContact CB-CZ2 4.41Å; Q266-W308 HydrophobicContact CB-CZ3 3.63Å; Q266-W308 HydrophobicContact CG-CD2 3.71Å; Q266-W308 HydrophobicContact CG-CE3 3.69Å; Q266-W308 HydrophobicContact CG-CG 4.42Å; Q266-W308 HydrophobicContact CG-CH2 3.75Å; Q266-W308 HydrophobicContact CG-CZ2 3.71Å; Q266-W308 HydrophobicContact CG-CZ3 3.71Å
267	L	84.7	Confident	85.7	Confident	54 Å²	54	51 Å²	51	28%	0.283	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-90.4	-8.7	172.9	-61.9	-176.5	0	0	0	113.2	E234 R264 F265 I305 W308	E234-L267 HydrophobicContact CB-CB 4.48Å; E234-L267 HydrophobicContact CG-CB 3.97Å; E234-L267 HydrophobicContact CG-CD1 4.04Å; R264-L267 HydrophobicContact CB-CD1 4.05Å; R264-L267 HydrophobicContact CB-CG 4.13Å; R264-L267 WeakPolarHBondContact O-CB 3.14Å; R264-L267 PolarHBondContact O-N 3.18Å; F265-L267 PolarHBondContact O-N 2.94Å; L267-I305 HydrophobicContact CD2-CB 4.5Å; L267-I305 HydrophobicContact CD2-CG1 4.26Å; L267-W308 VanDerWaalsContact CD1-O 3.25Å; L267-W308 WeakPolarHBondContact CD1-O 3.4Å; L267-W308 HydrophobicContact CD2-CB 4.14Å; L267-W308 HydrophobicContact CG-CB 4.15Å
268	I	85	Confident	85.6	Confident	5 Å²	5	53.1 Å²	53.1	3%	0.026	26%	0.26	C	S	.	.	S	Bend	trans	-78	141.1	175.9	-58.2	178.3	0	0	0	108.8	E234 W235 L238 I263 F265 T270 K272 L273	E234-I268 HydrophobicContact CB-CD1 4.38Å; E234-I268 HydrophobicContact CB-CG1 3.78Å; W235-I268 HydrophobicContact CB-CG2 4.44Å; W235-I268 HydrophobicContact CE3-CG2 3.8Å; L238-I268 HydrophobicContact CB-CD1 4.26Å; L238-I268 HydrophobicContact CD2-CD1 4.16Å; I263-I268 HydrophobicContact CG2-CD1 4.49Å; F265-I268 HydrophobicContact CD1-CD1 4.35Å; F265-I268 WeakPolarHBondContact O-CB 3.34Å; F265-I268 PolarHBondContact O-N 3.3Å; I268-T270 PolarHBondContact O-N 3.26Å; I268-K272 HydrophobicContact CG2-CB 4.03Å; I268-K272 HydrophobicContact CG2-CD 4.48Å; I268-L273 HydrophobicContact CB-CD2 3.86Å; I268-L273 HydrophobicContact CB-CG 4.06Å; I268-L273 HydrophobicContact CD1-CD2 4.32Å; I268-L273 HydrophobicContact CG2-CD2 3.88Å; I268-L273 HydrophobicContact CG2-CG 3.96Å
269	D	80.5	Confident	85.4	Confident	61 Å²	61	52 Å²	52	33%	0.326	26%	0.257	S	S	.	.			trans	-56	133.6	177.8	-164.5	-73.3	0	0	0	111.5	I271 K272 L273 R301	D269-I271 PolarHBondContact O-N 3.37Å; D269-I271 WeakPolarHBondContact OD1-CB 3.36Å; D269-I271 PolarHBondContact OD1-N 2.8Å; D269-K272 HydrophobicContact CB-CD 4.31Å; D269-K272 HydrophobicContact CB-CG 4.22Å; D269-K272 WeakPolarHBondContact O-CB 3.48Å; D269-K272 PolarHBondContact O-N 2.91Å; D269-L273 PolarHBondContact O-N 3.46Å; D269-R301 IonicContact OD2-NH2 3.61Å
270	T	81.1	Confident	84.9	Confident	59 Å²	59	60.1 Å²	60.1	36%	0.362	30%	0.295	S	S	.	.	H	α-helix	trans	-56.7	-34.7	-176.8	-51.3	0	0	0	0	112.5	I268 L273 L274 L293	I268-T270 PolarHBondContact O-N 3.26Å; T270-L273 PolarHBondContact O-N 3.45Å; T270-L274 HydrophobicContact CG2-CD1 4.41Å; T270-L274 VanDerWaalsContact O-CG 3.31Å; T270-L274 WeakPolarHBondContact O-CG 2.93Å; T270-L274 PolarHBondContact O-N 3.4Å; T270-L293 HydrophobicContact CG2-CD2 3.83Å
271	I	82.1	Confident	84.5	Confident	89 Å²	89	65.4 Å²	65.4	46%	0.456	32%	0.32	S	S	.	.	H	α-helix	trans	-63.2	-48.1	177.4	-61.5	173.2	0	0	0	109.7	D269 L273 L274 D275 L664	D269-I271 PolarHBondContact O-N 3.37Å; D269-I271 WeakPolarHBondContact OD1-CB 3.36Å; D269-I271 PolarHBondContact OD1-N 2.8Å; I271-L273 VanDerWaalsContact C-N 3.3Å; I271-L273 PolarHBondContact O-N 3.31Å; I271-L274 WeakPolarHBondContact O-CB 3.2Å; I271-L274 PolarHBondContact O-N 3.27Å; I271-L274 VanDerWaalsContact O-N 3.1Å; I271-D275 PolarHBondContact O-N 3.02Å; I271-L664 HydrophobicContact CD1-CD2 4.18Å
272	K	85.4	Confident	84.2	Confident	67 Å²	67	58.9 Å²	58.9	29%	0.291	29%	0.289	S	S	.	.	H	α-helix	trans	-62.9	-36.6	178	-64	-175.9	175.6	-171.5	0	112.5	W235 I268 D269 L274 D275 I276	W235-K272 HydrophobicContact CB-CD 4.39Å; W235-K272 VanDerWaalsContact CD1-NZ 3.27Å; W235-K272 HydrophobicContact CD2-CD 3.59Å; W235-K272 HydrophobicContact CE3-CB 3.82Å; W235-K272 HydrophobicContact CE3-CD 3.7Å; W235-K272 HydrophobicContact CE3-CG 4.34Å; W235-K272 HydrophobicContact CG-CD 3.86Å; W235-K272 VanDerWaalsContact CG-NZ 3.31Å; W235-K272 HydrophobicContact CH2-CB 4.31Å; W235-K272 HydrophobicContact CZ3-CB 3.67Å; W235-K272 HydrophobicContact CZ3-CD 4.2Å; W235-K272 HydrophobicContact CZ3-CG 4.39Å; I268-K272 HydrophobicContact CG2-CB 4.03Å; I268-K272 HydrophobicContact CG2-CD 4.48Å; D269-K272 HydrophobicContact CB-CD 4.31Å; D269-K272 HydrophobicContact CB-CG 4.22Å; D269-K272 WeakPolarHBondContact O-CB 3.48Å; D269-K272 PolarHBondContact O-N 2.91Å; K272-L274 VanDerWaalsContact C-N 3.35Å; K272-D275 PolarHBondContact O-N 3.4Å; K272-I276 WeakPolarHBondContact O-CG1 3.28Å; K272-I276 PolarHBondContact O-N 2.9Å; K272-I276 VanDerWaalsContact O-N 3.09Å
273	L	86.2	Confident	84	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.1	-41.1	173.9	-70.6	178.3	0	0	0	111.9	F265 I268 D269 T270 I271 I276 L277 V289 L293 L296	F265-L273 HydrophobicContact CD1-CD2 4.39Å; I268-L273 HydrophobicContact CB-CD2 3.86Å; I268-L273 HydrophobicContact CB-CG 4.06Å; I268-L273 HydrophobicContact CD1-CD2 4.32Å; I268-L273 HydrophobicContact CG2-CD2 3.88Å; I268-L273 HydrophobicContact CG2-CG 3.96Å; D269-L273 PolarHBondContact O-N 3.46Å; T270-L273 PolarHBondContact O-N 3.45Å; I271-L273 VanDerWaalsContact C-N 3.3Å; I271-L273 PolarHBondContact O-N 3.31Å; L273-I276 HydrophobicContact CD2-CD1 4.28Å; L273-I276 WeakPolarHBondContact O-CB 3.23Å; L273-I276 PolarHBondContact O-N 2.89Å; L273-L277 PolarHBondContact O-N 3.29Å; L273-V289 HydrophobicContact CB-CG1 3.96Å; L273-V289 HydrophobicContact CD2-CG1 4.05Å; L273-V289 HydrophobicContact CD2-CG2 4.07Å; L273-V289 WeakPolarHBondContact O-CG1 3.46Å; L273-L293 HydrophobicContact CB-CD2 4.12Å; L273-L293 HydrophobicContact CB-CG 4.47Å; L273-L293 HydrophobicContact CD1-CD2 3.89Å; L273-L293 HydrophobicContact CD1-CG 4.34Å; L273-L296 HydrophobicContact CD1-CD1 4.08Å
274	L	83	Confident	83.7	Confident	84 Å²	84	62.7 Å²	62.7	44%	0.44	31%	0.314	S	S	.	.	H	α-helix	trans	-65.9	-41.6	175.6	-67.6	169.9	0	0	0	111.2	T270 I271 K272 I276 L277 E278 L293	T270-L274 HydrophobicContact CG2-CD1 4.41Å; T270-L274 VanDerWaalsContact O-CG 3.31Å; T270-L274 WeakPolarHBondContact O-CG 2.93Å; T270-L274 PolarHBondContact O-N 3.4Å; I271-L274 WeakPolarHBondContact O-CB 3.2Å; I271-L274 PolarHBondContact O-N 3.27Å; I271-L274 VanDerWaalsContact O-N 3.1Å; K272-L274 VanDerWaalsContact C-N 3.35Å; L274-I276 VanDerWaalsContact C-N 3.26Å; L274-I276 PolarHBondContact O-N 3.48Å; L274-L277 WeakPolarHBondContact O-CB 3.43Å; L274-L277 PolarHBondContact O-N 3.13Å; L274-E278 PolarHBondContact O-N 3.4Å; L274-L293 HydrophobicContact CD2-CD1 4.12Å
275	D	86	Confident	83.8	Confident	85 Å²	85	59.2 Å²	59.2	46%	0.455	30%	0.301	S	S	.	.	H	α-helix	trans	-58.4	-37.6	175.2	-64.4	-21.6	0	0	0	112	I271 K272 L277 E278 N279	I271-D275 PolarHBondContact O-N 3.02Å; K272-D275 PolarHBondContact O-N 3.4Å; D275-L277 VanDerWaalsContact C-N 3.32Å; D275-L277 PolarHBondContact O-N 3.43Å; D275-E278 PolarHBondContact O-N 3.29Å; D275-N279 WeakPolarHBondContact O-CB 3.38Å; D275-N279 PolarHBondContact O-N 3.18Å
276	I	86.4	Confident	83.8	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-61	-40.9	174.3	-69.5	162.3	0	0	0	111.4	W235 L238 K272 L273 L274 E278 N279 M282 F285 H286 V289	W235-I276 HydrophobicContact CE3-CD1 4.49Å; W235-I276 HydrophobicContact CH2-CG1 4.37Å; W235-I276 HydrophobicContact CZ3-CD1 3.71Å; W235-I276 HydrophobicContact CZ3-CG1 3.97Å; L238-I276 HydrophobicContact CD2-CD1 3.35Å; L238-I276 HydrophobicContact CD2-CG1 4.35Å; K272-I276 WeakPolarHBondContact O-CG1 3.28Å; K272-I276 PolarHBondContact O-N 2.9Å; K272-I276 VanDerWaalsContact O-N 3.09Å; L273-I276 HydrophobicContact CD2-CD1 4.28Å; L273-I276 WeakPolarHBondContact O-CB 3.23Å; L273-I276 PolarHBondContact O-N 2.89Å; L274-I276 VanDerWaalsContact C-N 3.26Å; L274-I276 PolarHBondContact O-N 3.48Å; I276-E278 VanDerWaalsContact C-N 3.27Å; I276-E278 PolarHBondContact O-N 2.84Å; I276-N279 PolarHBondContact O-N 3.24Å; I276-M282 HydrophobicContact CG1-CE 4.39Å; I276-M282 HydrophobicContact CG2-CB 3.84Å; I276-F285 HydrophobicContact CG2-CB 4.34Å; I276-H286 PolarHBondContact O-CD2 3.37Å; I276-H286 PolarHBondContact O-NE2 3.46Å; I276-V289 HydrophobicContact CB-CG2 4.44Å; I276-V289 HydrophobicContact CD1-CG2 4.21Å; I276-V289 HydrophobicContact CG2-CG2 3.91Å
277	L	84.2	Confident	84	Confident	47 Å²	47	62.8 Å²	62.8	25%	0.246	33%	0.325	C	S	.	.	H	α-helix	trans	-67.9	-28.7	-180	-66.8	178.8	0	0	0	112.5	L273 L274 D275 H286 V289 K290 L293	L273-L277 PolarHBondContact O-N 3.29Å; L274-L277 WeakPolarHBondContact O-CB 3.43Å; L274-L277 PolarHBondContact O-N 3.13Å; D275-L277 VanDerWaalsContact C-N 3.32Å; D275-L277 PolarHBondContact O-N 3.43Å; L277-H286 HydrophobicContact CD2-CB 4.01Å; L277-H286 PolarHBondContact O-CE1 2.64Å; L277-H286 VanDerWaalsContact O-CE1 3.28Å; L277-V289 HydrophobicContact CD1-CG1 4.09Å; L277-V289 HydrophobicContact CD2-CB 4.08Å; L277-V289 HydrophobicContact CD2-CG1 3.82Å; L277-V289 HydrophobicContact CG-CG1 3.74Å; L277-K290 HydrophobicContact CD1-CG 4.46Å; L277-K290 HydrophobicContact CD2-CG 4.07Å; L277-L293 HydrophobicContact CD1-CD1 3.69Å
278	E	85.2	Confident	84.2	Confident	159 Å²	159	61.8 Å²	61.8	74%	0.743	32%	0.319	S	S	*	.	H	α-helix	trans	-79.1	-29	174.3	-63.9	-173	175.1	0	0	112.3	L274 D275 I276 Q280	L274-E278 PolarHBondContact O-N 3.4Å; D275-E278 PolarHBondContact O-N 3.29Å; I276-E278 VanDerWaalsContact C-N 3.27Å; I276-E278 PolarHBondContact O-N 2.84Å; E278-Q280 PolarHBondContact O-N 3.43Å
279	N	83.3	Confident	84.3	Confident	71 Å²	71	61.5 Å²	61.5	38%	0.38	32%	0.318	S	S	.	.			trans	-77.4	115	-178.4	-169.1	-16.4	0	0	0	112.8	D275 I276 E281 M282 H286	D275-N279 WeakPolarHBondContact O-CB 3.38Å; D275-N279 PolarHBondContact O-N 3.18Å; I276-N279 PolarHBondContact O-N 3.24Å; N279-E281 VanDerWaalsContact C-N 3.28Å; N279-E281 PolarHBondContact O-N 3.12Å; N279-E281 WeakPolarHBondContact OD1-CB 3.24Å; N279-E281 PolarHBondContact OD1-N 3.35Å; N279-M282 HydrophobicContact CB-CB 4.36Å; N279-M282 HydrophobicContact CB-CG 4.33Å; N279-M282 PolarHBondContact O-N 2.97Å; N279-H286 PolarHBondContact O-NE2 3.46Å
280	Q	79.7	Confident	84.6	Confident	170 Å²	170	64.3 Å²	64.3	79%	0.794	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-65.8	-25.3	179	-66.4	-172.1	-13.6	0	0	113.8	E278 M282 T283	E278-Q280 PolarHBondContact O-N 3.43Å; Q280-M282 VanDerWaalsContact C-N 3.28Å; Q280-M282 PolarHBondContact O-N 3.12Å; Q280-T283 WeakPolarHBondContact O-CG2 3.25Å; Q280-T283 PolarHBondContact O-OG1 3.48Å
281	E	79.3	Confident	84.8	Confident	112 Å²	112	65.5 Å²	65.5	52%	0.523	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-75.4	-19.3	178.4	-60.1	-165	139.9	0	0	112.7	H242 R246 N279	H242-E281 PolarHBondContact CE1-O 3.03Å; R246-E281 IonicContact CZ-OE1 3.91Å; R246-E281 IonicContact CZ-OE2 3.45Å; R246-E281 IonicContact NH1-OE1 3.75Å; R246-E281 IonicContact NH1-OE2 3.36Å; R246-E281 PolarHBondContact NH1-OE2 2.62Å; R246-E281 IonicContact NH2-OE1 2.66Å; R246-E281 PolarHBondContact NH2-OE1 2.93Å; R246-E281 IonicContact NH2-OE2 2.67Å; N279-E281 VanDerWaalsContact C-N 3.28Å; N279-E281 PolarHBondContact O-N 3.12Å; N279-E281 WeakPolarHBondContact OD1-CB 3.24Å; N279-E281 PolarHBondContact OD1-N 3.35Å
282	M	81.8	Confident	84.9	Confident	12 Å²	12	61.3 Å²	61.3	6%	0.059	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-103	16.4	-177.4	-65	-72.7	-87.5	0	0	112.9	L238 H242 I276 N279 Q280 I284 F285 H286	L238-M282 HydrophobicContact CD2-CE 4.01Å; L238-M282 HydrophobicContact CG-CE 4.3Å; H242-M282 HydrophobicContact CB-CE 4.1Å; H242-M282 HydrophobicContact CB-SD 3.92Å; H242-M282 PolarHBondContact CD2-SD 3.46Å; H242-M282 PolarHBondContact CE1-SD 3.19Å; H242-M282 PolarHBondContact ND1-SD 2.86Å; H242-M282 PolarHBondContact NE2-SD 3.02Å; H242-M282 VanDerWaalsContact NE2-SD 3.42Å; I276-M282 HydrophobicContact CG1-CE 4.39Å; I276-M282 HydrophobicContact CG2-CB 3.84Å; N279-M282 HydrophobicContact CB-CB 4.36Å; N279-M282 HydrophobicContact CB-CG 4.33Å; N279-M282 PolarHBondContact O-N 2.97Å; Q280-M282 VanDerWaalsContact C-N 3.28Å; Q280-M282 PolarHBondContact O-N 3.12Å; M282-I284 PolarHBondContact O-N 3.19Å; M282-F285 HydrophobicContact CB-CD2 4.29Å; M282-F285 HydrophobicContact CE-CD2 3.53Å; M282-F285 HydrophobicContact CE-CE2 3.59Å; M282-F285 PolarHBondContact O-N 2.77Å; M282-F285 HydrophobicContact SD-CD2 3.78Å; M282-F285 HydrophobicContact SD-CE2 3.7Å; M282-H286 PolarHBondContact O-CD2 2.66Å; M282-H286 VanDerWaalsContact O-CD2 3.25Å
283	T	82.3	Confident	84.6	Confident	79 Å²	79	59.9 Å²	59.9	49%	0.485	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-52.5	-30.1	-179	43.3	0	0	0	0	113.6	Q280 F285 H286	Q280-T283 WeakPolarHBondContact O-CG2 3.25Å; Q280-T283 PolarHBondContact O-OG1 3.48Å; T283-F285 PolarHBondContact O-N 3.28Å; T283-H286 WeakPolarHBondContact O-CB 3.33Å; T283-H286 PolarHBondContact O-N 3.09Å; T283-H286 VanDerWaalsContact O-N 3.16Å
284	I	84.9	Confident	84.3	Confident	50 Å²	50	64.4 Å²	64.4	26%	0.256	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-58.9	-27	176.3	65.2	-178.8	0	0	0	113.9	I256 M282	I256-I284 HydrophobicContact CD1-CB 3.46Å; I256-I284 VanDerWaalsContact CD1-CB 3.46Å; I256-I284 HydrophobicContact CD1-CD1 3.68Å; I256-I284 HydrophobicContact CD1-CG1 3.76Å; I256-I284 HydrophobicContact CD1-CG2 4.24Å; M282-I284 PolarHBondContact O-N 3.19Å
285	F	89.3	Confident	84	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-97.5	-7.1	179.5	-57.5	-67.5	0	0	0	113.5	L238 I241 H242 F265 I276 M282 T283 S287 H288 V289	L238-F285 HydrophobicContact CD1-CD1 3.85Å; L238-F285 HydrophobicContact CD1-CD2 4.35Å; L238-F285 HydrophobicContact CD1-CE1 3.94Å; L238-F285 HydrophobicContact CD1-CE2 4.42Å; L238-F285 HydrophobicContact CD1-CG 4.06Å; L238-F285 HydrophobicContact CD1-CZ 4.23Å; I241-F285 HydrophobicContact CG2-CE1 4.47Å; I241-F285 HydrophobicContact CG2-CZ 4.37Å; H242-F285 HydrophobicContact CB-CE2 3.81Å; H242-F285 HydrophobicContact CB-CZ 4.1Å; H242-F285 AromaticContact ND1-CE2 3.74Å; F265-F285 HydrophobicContact CE1-CB 4.33Å; F265-F285 HydrophobicContact CE1-CD1 4.41Å; F265-F285 HydrophobicContact CZ-CD1 4.12Å; I276-F285 HydrophobicContact CG2-CB 4.34Å; M282-F285 HydrophobicContact CB-CD2 4.29Å; M282-F285 HydrophobicContact CE-CD2 3.53Å; M282-F285 HydrophobicContact CE-CE2 3.59Å; M282-F285 PolarHBondContact O-N 2.77Å; M282-F285 HydrophobicContact SD-CD2 3.78Å; M282-F285 HydrophobicContact SD-CE2 3.7Å; T283-F285 PolarHBondContact O-N 3.28Å; F285-S287 PolarHBondContact O-N 3.08Å; F285-S287 VanDerWaalsContact O-N 3.16Å; F285-H288 PolarHBondContact O-N 2.88Å; F285-H288 VanDerWaalsContact O-N 3.14Å; F285-V289 HydrophobicContact CB-CG2 4.3Å; F285-V289 WeakPolarHBondContact O-CG2 3.47Å; F285-V289 PolarHBondContact O-N 3.17Å
286	H	87.4	Confident	83.3	Confident	34 Å²	34	60.5 Å²	60.5	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-58.2	-35.7	-170.4	-75.2	-168	0	0	0	113.3	I276 L277 N279 M282 T283 K290	I276-H286 PolarHBondContact O-CD2 3.37Å; I276-H286 PolarHBondContact O-NE2 3.46Å; L277-H286 HydrophobicContact CD2-CB 4.01Å; L277-H286 PolarHBondContact O-CE1 2.64Å; L277-H286 VanDerWaalsContact O-CE1 3.28Å; N279-H286 PolarHBondContact O-NE2 3.46Å; M282-H286 PolarHBondContact O-CD2 2.66Å; M282-H286 VanDerWaalsContact O-CD2 3.25Å; T283-H286 WeakPolarHBondContact O-CB 3.33Å; T283-H286 PolarHBondContact O-N 3.09Å; T283-H286 VanDerWaalsContact O-N 3.16Å; H286-K290 WeakPolarHBondContact O-CB 3.29Å; H286-K290 WeakPolarHBondContact O-CG 3.44Å; H286-K290 PolarHBondContact O-N 3.16Å
287	S	87.1	Confident	82.4	Confident	76 Å²	76	62.7 Å²	62.7	53%	0.531	33%	0.332	S	S	.	.	H	α-helix	trans	-64.5	-50.7	177.8	-168.6	0	0	0	0	111.5	F285 V289 K290 N291	F285-S287 PolarHBondContact O-N 3.08Å; F285-S287 VanDerWaalsContact O-N 3.16Å; S287-V289 PolarHBondContact O-N 2.97Å; S287-K290 PolarHBondContact O-N 3.28Å; S287-N291 PolarHBondContact O-N 3.1Å; S287-N291 PolarHBondContact O-ND2 3.31Å
288	H	88.8	Confident	81.7	Confident	33 Å²	33	66.9 Å²	66.9	15%	0.153	35%	0.35	C	S	.	.	H	α-helix	trans	-64.3	-40.6	178.7	-60.9	-77.8	0	0	0	112.1	E257 C260 F265 F285 N291 A292	E257-H288 IonicContact OE2-CE1 3.65Å; E257-H288 IonicContact OE2-NE2 3.55Å; C260-H288 WeakPolarHBondContact CB-NE2 3.5Å; F265-H288 HydrophobicContact CD2-CB 3.94Å; F265-H288 HydrophobicContact CE1-CB 4.14Å; F265-H288 HydrophobicContact CE2-CB 3.52Å; F265-H288 HydrophobicContact CG-CB 4.43Å; F265-H288 HydrophobicContact CZ-CB 3.63Å; F285-H288 PolarHBondContact O-N 2.88Å; F285-H288 VanDerWaalsContact O-N 3.14Å; H288-N291 PolarHBondContact O-N 2.81Å; H288-A292 WeakPolarHBondContact O-CB 3.19Å; H288-A292 PolarHBondContact O-N 2.93Å
289	V	87	Confident	80.7	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.4	-43.5	176.4	172.2	0	0	0	0	111.5	F265 L273 I276 L277 F285 S287 N291 A292 L293	F265-V289 HydrophobicContact CD1-CG2 3.84Å; F265-V289 HydrophobicContact CE1-CG2 3.94Å; L273-V289 HydrophobicContact CB-CG1 3.96Å; L273-V289 HydrophobicContact CD2-CG1 4.05Å; L273-V289 HydrophobicContact CD2-CG2 4.07Å; L273-V289 WeakPolarHBondContact O-CG1 3.46Å; I276-V289 HydrophobicContact CB-CG2 4.44Å; I276-V289 HydrophobicContact CD1-CG2 4.21Å; I276-V289 HydrophobicContact CG2-CG2 3.91Å; L277-V289 HydrophobicContact CD1-CG1 4.09Å; L277-V289 HydrophobicContact CD2-CB 4.08Å; L277-V289 HydrophobicContact CD2-CG1 3.82Å; L277-V289 HydrophobicContact CG-CG1 3.74Å; F285-V289 HydrophobicContact CB-CG2 4.3Å; F285-V289 WeakPolarHBondContact O-CG2 3.47Å; F285-V289 PolarHBondContact O-N 3.17Å; S287-V289 PolarHBondContact O-N 2.97Å; V289-N291 PolarHBondContact O-N 3.19Å; V289-A292 PolarHBondContact O-N 2.86Å; V289-L293 HydrophobicContact CG1-CD1 4.04Å; V289-L293 HydrophobicContact CG1-CG 4.42Å; V289-L293 WeakPolarHBondContact O-CB 3.32Å; V289-L293 WeakPolarHBondContact O-CG 3.42Å; V289-L293 PolarHBondContact O-N 2.69Å
290	K	86.7	Confident	79.5	Confident	119 Å²	119	58.9 Å²	58.9	52%	0.517	31%	0.313	S	S	.	.	H	α-helix	trans	-60.3	-45.4	175.3	-77.3	171.9	-176.1	176.1	0	111.6	L277 H286 S287 L293 I294	L277-K290 HydrophobicContact CD1-CG 4.46Å; L277-K290 HydrophobicContact CD2-CG 4.07Å; H286-K290 WeakPolarHBondContact O-CB 3.29Å; H286-K290 WeakPolarHBondContact O-CG 3.44Å; H286-K290 PolarHBondContact O-N 3.16Å; S287-K290 PolarHBondContact O-N 3.28Å; K290-L293 PolarHBondContact O-N 3.45Å; K290-I294 VanDerWaalsContact O-CG1 3.27Å; K290-I294 WeakPolarHBondContact O-CG1 3.36Å; K290-I294 PolarHBondContact O-N 2.86Å
291	N	85.7	Confident	78.6	Confident	85 Å²	85	57.9 Å²	57.9	46%	0.455	30%	0.302	S	S	.	.	H	α-helix	trans	-62.1	-44.5	177	-68.7	-18.3	0	0	0	111.3	S287 H288 V289 L293 I294 D295	S287-N291 PolarHBondContact O-N 3.1Å; S287-N291 PolarHBondContact O-ND2 3.31Å; H288-N291 PolarHBondContact O-N 2.81Å; V289-N291 PolarHBondContact O-N 3.19Å; N291-L293 VanDerWaalsContact C-N 3.35Å; N291-L293 PolarHBondContact O-N 3.42Å; N291-I294 WeakPolarHBondContact O-CB 3.41Å; N291-I294 PolarHBondContact O-N 2.85Å; N291-I294 VanDerWaalsContact O-N 3.14Å; N291-D295 VanDerWaalsContact O-CG 3.26Å; N291-D295 PolarHBondContact O-N 2.89Å
292	A	82.3	Confident	77.7	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-39.6	177	0	0	0	0	0	113	F265 Q266 H288 V289 I294 D295 L296	F265-A292 HydrophobicContact CB-CB 3.43Å; F265-A292 VanDerWaalsContact CB-CB 3.43Å; F265-A292 HydrophobicContact CG-CB 4.48Å; Q266-A292 HydrophobicContact CG-CB 3.96Å; H288-A292 WeakPolarHBondContact O-CB 3.19Å; H288-A292 PolarHBondContact O-N 2.93Å; V289-A292 PolarHBondContact O-N 2.86Å; A292-I294 VanDerWaalsContact C-N 3.35Å; A292-D295 PolarHBondContact O-N 3.01Å; A292-L296 WeakPolarHBondContact O-CB 3.45Å; A292-L296 VanDerWaalsContact O-CG 3.29Å; A292-L296 WeakPolarHBondContact O-CG 3.39Å; A292-L296 PolarHBondContact O-N 3.39Å
293	L	79.7	Confident	76.9	Confident	37 Å²	37	56.6 Å²	56.6	19%	0.194	31%	0.305	C	S	.	.	H	α-helix	trans	-67.2	-35	174.8	-72.1	172.5	0	0	0	112.2	T270 L273 L274 L277 V289 K290 N291 G297	T270-L293 HydrophobicContact CG2-CD2 3.83Å; L273-L293 HydrophobicContact CB-CD2 4.12Å; L273-L293 HydrophobicContact CB-CG 4.47Å; L273-L293 HydrophobicContact CD1-CD2 3.89Å; L273-L293 HydrophobicContact CD1-CG 4.34Å; L274-L293 HydrophobicContact CD2-CD1 4.12Å; L277-L293 HydrophobicContact CD1-CD1 3.69Å; V289-L293 HydrophobicContact CG1-CD1 4.04Å; V289-L293 HydrophobicContact CG1-CG 4.42Å; V289-L293 WeakPolarHBondContact O-CB 3.32Å; V289-L293 WeakPolarHBondContact O-CG 3.42Å; V289-L293 PolarHBondContact O-N 2.69Å; K290-L293 PolarHBondContact O-N 3.45Å; N291-L293 VanDerWaalsContact C-N 3.35Å; N291-L293 PolarHBondContact O-N 3.42Å; L293-G297 PolarHBondContact O-N 2.9Å
294	I	79.4	Confident	75.9	Confident	96 Å²	96	52.9 Å²	52.9	49%	0.492	28%	0.282	S	S	.	.	H	α-helix	trans	-64.5	-47.7	172.5	-68.4	163.7	0	0	0	109.9	K290 N291 A292 L296 G297 Q298	K290-I294 VanDerWaalsContact O-CG1 3.27Å; K290-I294 WeakPolarHBondContact O-CG1 3.36Å; K290-I294 PolarHBondContact O-N 2.86Å; N291-I294 WeakPolarHBondContact O-CB 3.41Å; N291-I294 PolarHBondContact O-N 2.85Å; N291-I294 VanDerWaalsContact O-N 3.14Å; A292-I294 VanDerWaalsContact C-N 3.35Å; I294-L296 PolarHBondContact O-N 2.99Å; I294-G297 PolarHBondContact O-N 3.01Å; I294-G297 VanDerWaalsContact O-N 3.16Å; I294-Q298 WeakPolarHBondContact O-CG 3.37Å; I294-Q298 PolarHBondContact O-N 3.09Å
295	D	77.1	Confident	74.9	Confident	53 Å²	53	54.2 Å²	54.2	28%	0.283	29%	0.289	S	S	.	.	H	α-helix	trans	-61.1	-44	178.5	-65.7	-22.6	0	0	0	111.7	Q266 N291 A292 G297 Q298 L299 W308	Q266-D295 HydrophobicContact CG-CB 4.19Å; Q266-D295 PolarHBondContact NE2-OD2 3.04Å; N291-D295 VanDerWaalsContact O-CG 3.26Å; N291-D295 PolarHBondContact O-N 2.89Å; A292-D295 PolarHBondContact O-N 3.01Å; D295-G297 VanDerWaalsContact C-N 3.32Å; D295-G297 PolarHBondContact O-N 3.16Å; D295-Q298 PolarHBondContact O-N 2.94Å; D295-L299 PolarHBondContact O-N 3.44Å; D295-W308 HydrophobicContact CB-CH2 3.62Å; D295-W308 HydrophobicContact CB-CZ2 3.8Å
296	L	72.8	Confident	73.8	Confident	34 Å²	34	56.3 Å²	56.3	18%	0.178	31%	0.306	C	S	.	.	H	α-helix	trans	-64.7	-34.5	175.1	-78	174.7	0	0	0	112.4	Q266 L273 A292 I294 Q298 L299 A304 W308	Q266-L296 HydrophobicContact CB-CD2 4.08Å; Q266-L296 HydrophobicContact CB-CG 4.08Å; Q266-L296 HydrophobicContact CG-CG 4.31Å; Q266-L296 WeakPolarHBondContact O-CD2 3.37Å; L273-L296 HydrophobicContact CD1-CD1 4.08Å; A292-L296 WeakPolarHBondContact O-CB 3.45Å; A292-L296 VanDerWaalsContact O-CG 3.29Å; A292-L296 WeakPolarHBondContact O-CG 3.39Å; A292-L296 PolarHBondContact O-N 3.39Å; I294-L296 PolarHBondContact O-N 2.99Å; L296-Q298 PolarHBondContact O-N 3.25Å; L296-L299 PolarHBondContact O-N 2.65Å; L296-A304 HydrophobicContact CD2-CB 3.61Å; L296-W308 HydrophobicContact CD2-CZ3 4.32Å
297	G	66.4	Low	73	Confident	50 Å²	50	57 Å²	57	52%	0.515	31%	0.309	S	S	.	.	H	α-helix	trans	-65.3	-24.6	175	0	0	0	0	0	113.4	L293 I294 D295	L293-G297 PolarHBondContact O-N 2.9Å; I294-G297 PolarHBondContact O-N 3.01Å; I294-G297 VanDerWaalsContact O-N 3.16Å; D295-G297 VanDerWaalsContact C-N 3.32Å; D295-G297 PolarHBondContact O-N 3.16Å
298	Q	69.9	Low	72.4	Confident	134 Å²	134	55 Å²	55	63%	0.626	29%	0.289	S	S	*	.	H	α-helix	trans	-89	-21.6	-179.5	-67.2	178	4.7	0	0	113.4	I294 D295 L296 R501	I294-Q298 WeakPolarHBondContact O-CG 3.37Å; I294-Q298 PolarHBondContact O-N 3.09Å; D295-Q298 PolarHBondContact O-N 2.94Å; L296-Q298 PolarHBondContact O-N 3.25Å; Q298-R501 PolarHBondContact O-NH1 3.31Å
299	L	63.5	Low	71.6	Confident	45 Å²	45	56.3 Å²	56.3	24%	0.236	30%	0.298	C	S	.	.	S	Bend	trans	-115.7	155.3	-174.4	-59.2	177	0	0	0	111.8	D295 L296 V303 K307 W308 R501	D295-L299 PolarHBondContact O-N 3.44Å; L296-L299 PolarHBondContact O-N 2.65Å; L299-V303 HydrophobicContact CB-CB 4.43Å; L299-V303 HydrophobicContact CB-CG1 4.32Å; L299-V303 HydrophobicContact CD1-CG1 4.28Å; L299-V303 HydrophobicContact CD2-CG1 3.95Å; L299-V303 HydrophobicContact CG-CG1 4.42Å; L299-K307 HydrophobicContact CD1-CD 3.8Å; L299-W308 HydrophobicContact CD1-CH2 3.34Å; L299-W308 HydrophobicContact CD1-CZ2 4.24Å; L299-W308 HydrophobicContact CD1-CZ3 3.68Å; L299-W308 HydrophobicContact CG-CH2 4.48Å; L299-R501 VanDerWaalsContact C-NH1 3.3Å
300	S	59	Low	70.9	Confident	17 Å²	17	58.7 Å²	58.7	12%	0.119	31%	0.307	C	S	.	.			trans	-71.9	155.1	166.1	59.7	0	0	0	0	109.1	S302 V303 A304	S300-S302 PolarHBondContact O-N 2.85Å; S300-S302 PolarHBondContact OG-OG 3.07Å; S300-V303 PolarHBondContact O-N 2.71Å; S300-V303 VanDerWaalsContact O-N 3.1Å; S300-V303 WeakPolarHBondContact OG-CB 3.47Å; S300-V303 WeakPolarHBondContact OG-CG2 3.46Å; S300-V303 PolarHBondContact OG-N 3.06Å; S300-A304 WeakPolarHBondContact O-CB 3.49Å; S300-A304 PolarHBondContact O-N 3.25Å
301	R	60.2	Low	70	Confident	150 Å²	150	57.7 Å²	57.7	57%	0.566	31%	0.307	S	S	*	.	H	α-helix	trans	-57.7	-35.8	179.5	-171.8	174.5	-177.2	131.4	-0.3	112.2	D269 I305	D269-R301 IonicContact OD2-NH2 3.61Å; R301-I305 HydrophobicContact CG-CD1 4.02Å; R301-I305 WeakPolarHBondContact O-CD1 3.22Å; R301-I305 VanDerWaalsContact O-CG1 3.25Å; R301-I305 WeakPolarHBondContact O-CG1 3.48Å; R301-I305 PolarHBondContact O-N 3.46Å
302	S	60.4	Low	68.7	Low	51 Å²	51	55.3 Å²	55.3	36%	0.357	30%	0.297	S	S	.	.	H	α-helix	trans	-61.5	-48.6	174.9	49.5	0	0	0	0	111.7	S300 I305 A306 D476	S300-S302 PolarHBondContact O-N 2.85Å; S300-S302 PolarHBondContact OG-OG 3.07Å; S302-I305 PolarHBondContact O-N 2.87Å; S302-A306 WeakPolarHBondContact O-CB 3Å; S302-A306 PolarHBondContact O-N 3.01Å; S302-D476 PolarHBondContact OG-OD1 2.91Å
303	V	65.1	Low	67	Low	46 Å²	46	62.7 Å²	62.7	28%	0.279	34%	0.336	S	S	.	.	H	α-helix	trans	-68.2	-38.5	179	175.8	0	0	0	0	111.3	L299 S300 A306 K307	L299-V303 HydrophobicContact CB-CB 4.43Å; L299-V303 HydrophobicContact CB-CG1 4.32Å; L299-V303 HydrophobicContact CD1-CG1 4.28Å; L299-V303 HydrophobicContact CD2-CG1 3.95Å; L299-V303 HydrophobicContact CG-CG1 4.42Å; S300-V303 PolarHBondContact O-N 2.71Å; S300-V303 VanDerWaalsContact O-N 3.1Å; S300-V303 WeakPolarHBondContact OG-CB 3.47Å; S300-V303 WeakPolarHBondContact OG-CG2 3.46Å; S300-V303 PolarHBondContact OG-N 3.06Å; V303-A306 PolarHBondContact O-N 2.94Å; V303-K307 VanDerWaalsContact O-CB 3.24Å; V303-K307 WeakPolarHBondContact O-CB 3.32Å; V303-K307 PolarHBondContact O-N 3.02Å
304	A	61.6	Low	65.2	Low	1 Å²	1	65.8 Å²	65.8	1%	0.008	35%	0.346	C	S	.	.	H	α-helix	trans	-58.7	-51.9	173.8	0	0	0	0	0	111.5	L296 S300 A306 K307 W308	L296-A304 HydrophobicContact CD2-CB 3.61Å; S300-A304 WeakPolarHBondContact O-CB 3.49Å; S300-A304 PolarHBondContact O-N 3.25Å; A304-A306 VanDerWaalsContact C-N 3.31Å; A304-A306 PolarHBondContact O-N 3.16Å; A304-K307 PolarHBondContact O-N 2.53Å; A304-W308 VanDerWaalsContact CA-CE3 3.44Å; A304-W308 VanDerWaalsContact CA-CZ3 3.43Å; A304-W308 HydrophobicContact CB-CE3 3.69Å; A304-W308 HydrophobicContact CB-CZ3 3.42Å; A304-W308 VanDerWaalsContact CB-CZ3 3.42Å; A304-W308 PolarHBondContact O-N 3.42Å
305	I	63.7	Low	63.3	Low	77 Å²	77	64.7 Å²	64.7	40%	0.395	35%	0.347	S	S	.	.	H	α-helix	trans	-59.7	-44.4	176.8	-66.9	165.7	0	0	0	110	L267 R301 S302 K307 W308 N309	L267-I305 HydrophobicContact CD2-CB 4.5Å; L267-I305 HydrophobicContact CD2-CG1 4.26Å; R301-I305 HydrophobicContact CG-CD1 4.02Å; R301-I305 WeakPolarHBondContact O-CD1 3.22Å; R301-I305 VanDerWaalsContact O-CG1 3.25Å; R301-I305 WeakPolarHBondContact O-CG1 3.48Å; R301-I305 PolarHBondContact O-N 3.46Å; S302-I305 PolarHBondContact O-N 2.87Å; I305-K307 VanDerWaalsContact C-N 3.34Å; I305-K307 PolarHBondContact O-N 2.85Å; I305-W308 PolarHBondContact O-N 2.9Å; I305-N309 WeakPolarHBondContact O-CB 3.36Å; I305-N309 PolarHBondContact O-N 2.91Å
306	A	66.2	Low	61.3	Low	44 Å²	44	68 Å²	68	36%	0.364	36%	0.364	S	S	.	.	H	α-helix	trans	-62.7	-39.2	178	0	0	0	0	0	112.9	S302 V303 A304 S312	S302-A306 WeakPolarHBondContact O-CB 3Å; S302-A306 PolarHBondContact O-N 3.01Å; V303-A306 PolarHBondContact O-N 2.94Å; A304-A306 VanDerWaalsContact C-N 3.31Å; A304-A306 PolarHBondContact O-N 3.16Å; A306-S312 WeakPolarHBondContact O-CB 3.45Å; A306-S312 PolarHBondContact O-OG 3.39Å
307	K	70.1	Confident	59.5	Low	49 Å²	49	73.6 Å²	73.6	21%	0.213	39%	0.394	C	S	.	.	H	α-helix	trans	-71.7	-38.2	-179.2	-176.5	170.5	177.2	173.9	0	112.4	L299 V303 A304 I305 Y314 E319	L299-K307 HydrophobicContact CD1-CD 3.8Å; V303-K307 VanDerWaalsContact O-CB 3.24Å; V303-K307 WeakPolarHBondContact O-CB 3.32Å; V303-K307 PolarHBondContact O-N 3.02Å; A304-K307 PolarHBondContact O-N 2.53Å; I305-K307 VanDerWaalsContact C-N 3.34Å; I305-K307 PolarHBondContact O-N 2.85Å; K307-Y314 HydrophobicContact CB-CD1 4.2Å; K307-Y314 HydrophobicContact CB-CE1 4.27Å; K307-Y314 HydrophobicContact CD-CE1 4.36Å; K307-Y314 HydrophobicContact CG-CD1 3.94Å; K307-Y314 HydrophobicContact CG-CE1 3.97Å; K307-E319 IonicContact NZ-OE1 3.7Å; K307-E319 PolarHBondContact NZ-OE1 3.01Å
308	W	75.2	Confident	58.1	Low	34 Å²	34	76.3 Å²	76.3	13%	0.129	39%	0.391	C	S	.	.	H	α-helix	trans	-112.5	6.2	-172.2	-64.3	-70.8	0	0	0	115.1	R264 Q266 L267 D295 L296 L299 A304 I305	R264-W308 WeakPolarHBondContact CD-O 3.31Å; R264-W308 PolarHBondContact NH1-O 3.23Å; Q266-W308 HydrophobicContact CB-CD2 3.54Å; Q266-W308 HydrophobicContact CB-CE3 3.25Å; Q266-W308 HydrophobicContact CB-CG 4.1Å; Q266-W308 HydrophobicContact CB-CH2 4.21Å; Q266-W308 HydrophobicContact CB-CZ2 4.41Å; Q266-W308 HydrophobicContact CB-CZ3 3.63Å; Q266-W308 HydrophobicContact CG-CD2 3.71Å; Q266-W308 HydrophobicContact CG-CE3 3.69Å; Q266-W308 HydrophobicContact CG-CG 4.42Å; Q266-W308 HydrophobicContact CG-CH2 3.75Å; Q266-W308 HydrophobicContact CG-CZ2 3.71Å; Q266-W308 HydrophobicContact CG-CZ3 3.71Å; L267-W308 VanDerWaalsContact CD1-O 3.25Å; L267-W308 WeakPolarHBondContact CD1-O 3.4Å; L267-W308 HydrophobicContact CD2-CB 4.14Å; L267-W308 HydrophobicContact CG-CB 4.15Å; D295-W308 HydrophobicContact CB-CH2 3.62Å; D295-W308 HydrophobicContact CB-CZ2 3.8Å; L296-W308 HydrophobicContact CD2-CZ3 4.32Å; L299-W308 HydrophobicContact CD1-CH2 3.34Å; L299-W308 HydrophobicContact CD1-CZ2 4.24Å; L299-W308 HydrophobicContact CD1-CZ3 3.68Å; L299-W308 HydrophobicContact CG-CH2 4.48Å; A304-W308 VanDerWaalsContact CA-CE3 3.44Å; A304-W308 VanDerWaalsContact CA-CZ3 3.43Å; A304-W308 HydrophobicContact CB-CE3 3.69Å; A304-W308 HydrophobicContact CB-CZ3 3.42Å; A304-W308 VanDerWaalsContact CB-CZ3 3.42Å; A304-W308 PolarHBondContact O-N 3.42Å; I305-W308 PolarHBondContact O-N 2.9Å
309	N	72.5	Confident	56.3	Low	61 Å²	61	75.4 Å²	75.4	33%	0.326	39%	0.387	S	S	.	.			trans	-70.6	136.7	174.1	-174.9	-12.3	0	0	0	111.7	R264 I305 D311 S312	R264-N309 PolarHBondContact NH1-O 2.93Å; I305-N309 WeakPolarHBondContact O-CB 3.36Å; I305-N309 PolarHBondContact O-N 2.91Å; N309-D311 PolarHBondContact O-N 2.58Å; N309-D311 PolarHBondContact OD1-N 2.98Å; N309-D311 VanDerWaalsContact OD1-N 3.07Å; N309-S312 PolarHBondContact O-N 2.98Å; N309-S312 VanDerWaalsContact O-N 3.16Å; N309-S312 PolarHBondContact O-OG 3.06Å
310	R	71.4	Confident	54.7	Low	49 Å²	49	81.2 Å²	81.2	19%	0.185	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-29	-179.6	-74.2	-176.1	-170.8	-96.2	1.5	112.6	F229 E234 H262	F229-R310 VanDerWaalsContact CD1-CZ 3.48Å; F229-R310 VanDerWaalsContact CE1-CZ 3.45Å; E234-R310 IonicContact OE1-CZ 2.75Å; E234-R310 IonicContact OE1-NE 3.88Å; E234-R310 PolarHBondContact OE1-NE 3.46Å; E234-R310 IonicContact OE1-NH2 3.72Å; E234-R310 PolarHBondContact OE1-NH2 2.83Å; E234-R310 IonicContact OE2-NH2 2.76Å; E234-R310 PolarHBondContact OE2-NH2 3.37Å; H262-R310 PolarHBondContact O-NH2 3.4Å
311	D	67.1	Low	53.3	Low	98 Å²	98	86.1 Å²	86.1	52%	0.524	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	3.2	178.7	-66.9	-43.5	0	0	0	113.5	K230 N309	K230-D311 IonicContact NZ-OD1 2.71Å; K230-D311 PolarHBondContact NZ-OD1 3.04Å; K230-D311 IonicContact NZ-OD2 2.63Å; N309-D311 PolarHBondContact O-N 2.58Å; N309-D311 PolarHBondContact OD1-N 2.98Å; N309-D311 VanDerWaalsContact OD1-N 3.07Å
312	S	58.6	Low	51.9	Low	36 Å²	36	82.6 Å²	82.6	25%	0.252	44%	0.438	S	S	.	.			trans	-90.2	130.3	-179.6	69.5	0	0	0	0	112.9	A306 N309 Y314	A306-S312 WeakPolarHBondContact O-CB 3.45Å; A306-S312 PolarHBondContact O-OG 3.39Å; N309-S312 PolarHBondContact O-N 2.98Å; N309-S312 VanDerWaalsContact O-N 3.16Å; N309-S312 PolarHBondContact O-OG 3.06Å; S312-Y314 PolarHBondContact O-N 3.24Å
313	N	47.4	Very low	50.4	Low	154 Å²	154	86 Å²	86	82%	0.824	46%	0.457	S	S	*	.			trans	-77.8	40.8	170.9	-75.4	-27.2	0	0	0	112	S315	N313-S315 PolarHBondContact O-N 3.43Å
314	Y	41.1	Very low	48.6	Very low	102 Å²	102	88.2 Å²	88.2	40%	0.4	47%	0.467	S	S	.	.			trans	-79.4	91.9	-177	-160.1	-89.5	0	0	0	110.3	K307 S312	K307-Y314 HydrophobicContact CB-CD1 4.2Å; K307-Y314 HydrophobicContact CB-CE1 4.27Å; K307-Y314 HydrophobicContact CD-CE1 4.36Å; K307-Y314 HydrophobicContact CG-CD1 3.94Å; K307-Y314 HydrophobicContact CG-CE1 3.97Å; S312-Y314 PolarHBondContact O-N 3.24Å
315	S	39.1	Very low	47.1	Very low	74 Å²	74	93.7 Å²	93.7	52%	0.517	50%	0.496	S	S	.	.			trans	-74.2	129	175.7	176	0	0	0	0	111.2	N313 D317	N313-S315 PolarHBondContact O-N 3.43Å; S315-D317 PolarHBondContact O-N 3.45Å
316	I	37	Very low	45.5	Very low	123 Å²	123	94.3 Å²	94.3	63%	0.631	51%	0.507	S	S	*	.	S	Bend	trans	-68	-6.5	-176.1	-72.8	165.1	0	0	0	113.3	K318	I316-K318 PolarHBondContact O-N 2.79Å
317	D	34.5	Very low	43.8	Very low	151 Å²	151	98.3 Å²	98.3	81%	0.807	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	17.9	-179.9	-67.1	-34	0	0	0	115.2	S315	S315-D317 PolarHBondContact O-N 3.45Å
318	K	36.9	Very low	41.8	Very low	106 Å²	106	100.4 Å²	100.4	46%	0.461	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	3.1	-179.9	-79.6	-167	163.5	-175.9	0	114.6	I316 I320 L322	I316-K318 PolarHBondContact O-N 2.79Å; K318-I320 PolarHBondContact O-N 3.39Å; K318-I320 VanDerWaalsContact O-N 3.09Å; K318-L322 HydrophobicContact CB-CD1 3.69Å; K318-L322 HydrophobicContact CD-CD1 3.64Å; K318-L322 HydrophobicContact CD-CD2 3.69Å; K318-L322 HydrophobicContact CD-CG 4.26Å; K318-L322 HydrophobicContact CG-CD1 3.43Å; K318-L322 VanDerWaalsContact CG-CD1 3.43Å; K318-L322 HydrophobicContact CG-CD2 4.44Å
319	E	31	Very low	39.5	Very low	116 Å²	116	104 Å²	104	54%	0.542	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.2	93	169.3	-80.2	179.3	173.1	0	0	110	K307	K307-E319 IonicContact NZ-OE1 3.7Å; K307-E319 PolarHBondContact NZ-OE1 3.01Å
320	I	31.4	Very low	37.4	Very low	167 Å²	167	109.2 Å²	109.2	86%	0.856	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	159.4	-9.2	150.4	-81.3	159.4	0	0	0	111.4	K318	K318-I320 PolarHBondContact O-N 3.39Å; K318-I320 VanDerWaalsContact O-N 3.09Å
321	T	28.4	Very low	35.2	Very low	119 Å²	119	116.4 Å²	116.4	73%	0.73	63%	0.627	S	S	*	*	S	Bend	trans	-148.6	43	-171.7	-13	0	0	0	0	116.2
322	L	32	Very low	33.3	Very low	76 Å²	76	117.1 Å²	117.1	40%	0.398	64%	0.639	S	S	.	*			trans	-138.6	70.9	176.5	-80.4	104.1	0	0	0	114.8	K318 L325	K318-L322 HydrophobicContact CB-CD1 3.69Å; K318-L322 HydrophobicContact CD-CD1 3.64Å; K318-L322 HydrophobicContact CD-CD2 3.69Å; K318-L322 HydrophobicContact CD-CG 4.26Å; K318-L322 HydrophobicContact CG-CD1 3.43Å; K318-L322 VanDerWaalsContact CG-CD1 3.43Å; K318-L322 HydrophobicContact CG-CD2 4.44Å; L322-L325 HydrophobicContact CD2-CB 3.84Å; L322-L325 HydrophobicContact CD2-CD1 3.36Å; L322-L325 HydrophobicContact CD2-CG 4.17Å; L322-L325 HydrophobicContact CG-CD1 4.48Å
323	T	28.6	Very low	31.7	Very low	122 Å²	122	123 Å²	123	75%	0.748	67%	0.668	S	S	*	*	S	Bend		-70.5	133.5	129.8	43.3	0	0	0	0	107.2
324	N	27.8	Very low	30.8	Very low	94 Å²	94	120.4 Å²	120.4	50%	0.503	66%	0.662	S	S	.	*			trans	74.4	93.5	-176.2	-41.1	-72.6	0	0	0	115.7	T544	N324-T544 PolarHBondContact OD1-O 3.35Å; N324-T544 VanDerWaalsContact OD1-O 3.08Å
325	L	30.2	Very low	30	Very low	116 Å²	116	120.6 Å²	120.6	61%	0.607	68%	0.676	S	S	*	*			trans	-166.3	124.5	135	-98.7	142.6	0	0	0	110.4	L322	L322-L325 HydrophobicContact CD2-CB 3.84Å; L322-L325 HydrophobicContact CD2-CD1 3.36Å; L322-L325 HydrophobicContact CD2-CG 4.17Å; L322-L325 HydrophobicContact CG-CD1 4.48Å
326	S	28.1	Very low	29.5	Very low	90 Å²	90	127 Å²	127	63%	0.629	69%	0.694	S	S	*	*			trans	-53.4	125.6	177	50.5	0	0	0	0	113.5
327	V	31.9	Very low	29.3	Very low	127 Å²	127	127.8 Å²	127.8	77%	0.77	70%	0.695	S	S	*	*			trans	-91.2	100.6	165.1	-180	0	0	0	0	108.4
328	S	28.2	Very low	29.4	Very low	94 Å²	94	126.8 Å²	126.8	66%	0.657	70%	0.695	S	S	*	*			trans	-69	125.8	169.6	50.3	0	0	0	0	111.2
329	S	25.8	Very low	30	Very low	110 Å²	110	124 Å²	124	77%	0.769	69%	0.687	S	S	*	*			trans	48.5	82.3	153.1	66.3	0	0	0	0	117.8
330	Y	28.5	Very low	31.2	Very low	169 Å²	169	123.5 Å²	123.5	66%	0.663	68%	0.684	S	S	*	*			trans	-104.6	121.7	143.5	-85.5	-91.6	0	0	0	108.3	S332	Y330-S332 PolarHBondContact O-N 3.34Å
331	K	25.7	Very low	33.4	Very low	201 Å²	201	118.4 Å²	118.4	87%	0.874	66%	0.659	S	S	*	*			trans	-58	121.4	170	-74.8	176.3	174.7	177.7	0	107.7	D333	K331-D333 PolarHBondContact O-N 2.87Å
332	S	26.6	Very low	36.3	Very low	113 Å²	113	113.4 Å²	113.4	79%	0.79	63%	0.628	S	S	*	*			trans	-70.6	92	174.4	58.3	0	0	0	0	109.7	Y330 S334	Y330-S332 PolarHBondContact O-N 3.34Å; S332-S334 PolarHBondContact O-N 3.36Å
333	D	25.5	Very low	39.1	Very low	160 Å²	160	109.8 Å²	109.8	86%	0.856	61%	0.609	S	S	*	*			trans	-78.8	100.6	149.5	-78.1	-29.8	0	0	0	106.1	K331	K331-D333 PolarHBondContact O-N 2.87Å
334	S	27.9	Very low	42.2	Very low	98 Å²	98	104 Å²	104	69%	0.685	57%	0.574	S	S	*	*			trans	-55.5	129.8	174.3	52.4	0	0	0	0	109.3	S332 K336	S332-S334 PolarHBondContact O-N 3.36Å; S334-K336 PolarHBondContact O-N 2.86Å
335	P	26.1	Very low	45.4	Very low	107 Å²	107	99.5 Å²	99.5	70%	0.695	55%	0.55	S	S	*	.			trans	-62.5	130	169.9	27	-28.8	0	0	0	106.9	Q337	P335-Q337 PolarHBondContact O-N 2.8Å
336	K	27.4	Very low	48.4	Very low	208 Å²	208	94.2 Å²	94.2	90%	0.904	52%	0.522	S	S	*	.			trans	-61.7	80.7	170	-73.4	178.5	177.5	176.9	0	108.4	S334 T338	S334-K336 PolarHBondContact O-N 2.86Å; K336-T338 PolarHBondContact O-N 2.78Å
337	Q	32.8	Very low	51.5	Low	140 Å²	140	90 Å²	90	65%	0.654	49%	0.492	S	S	*	.			trans	-63.9	129.2	161.6	-84.1	-179.1	-14.3	0	0	106.8	P335 T339	P335-Q337 PolarHBondContact O-N 2.8Å; Q337-T339 PolarHBondContact O-N 2.97Å
338	T	37.6	Very low	54.3	Low	130 Å²	130	84.2 Å²	84.2	80%	0.798	46%	0.459	S	S	*	.			trans	-48	104.4	176.4	35.8	0	0	0	0	110.1	K336 E340	K336-T338 PolarHBondContact O-N 2.78Å; T338-E340 PolarHBondContact O-N 3.4Å
339	T	49.2	Very low	57.2	Low	47 Å²	47	79.9 Å²	79.9	29%	0.288	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-69.6	-2.6	-172.8	48.8	0	0	0	0	113.8	Q337 N341 N614	Q337-T339 PolarHBondContact O-N 2.97Å; T339-N341 VanDerWaalsContact C-N 3.31Å; T339-N341 PolarHBondContact O-N 3.03Å; T339-N614 WeakPolarHBondContact CG2-ND2 3.29Å
340	E	56.1	Low	60.3	Low	106 Å²	106	79.7 Å²	79.7	50%	0.495	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-79	-8.9	-169.1	-63.9	-164.4	153.9	0	0	114.7	T338 K364	T338-E340 PolarHBondContact O-N 3.4Å; E340-K364 WeakPolarHBondContact O-CE 3.48Å; E340-K364 PolarHBondContact O-NZ 2.83Å; E340-K364 VanDerWaalsContact O-NZ 3.13Å
341	N	77.4	Confident	63.2	Low	59 Å²	59	73.4 Å²	73.4	32%	0.316	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-129.7	38.8	-172.4	-89.4	1.3	0	0	0	114.3	T339 K364 S662 L663	T339-N341 VanDerWaalsContact C-N 3.31Å; T339-N341 PolarHBondContact O-N 3.03Å; N341-K364 PolarHBondContact OD1-NZ 2.78Å; N341-S662 CarbonylContact O-C 3.53Å; N341-S662 WeakPolarHBondContact O-CA 3.5Å; N341-L663 HydrophobicContact CB-CB 4.43Å; N341-L663 WeakPolarHBondContact CB-O 3.23Å; N341-L663 PolarHBondContact ND2-O 3.06Å; N341-L663 PolarHBondContact O-N 2.95Å
342	T	89	Confident	66.2	Low	15 Å²	15	69.9 Å²	69.9	9%	0.092	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	135.5	171.8	-44.7	0	0	0	0	112.3	I365 W613 T660 T661	T342-I365 HydrophobicContact CG2-CD1 4.09Å; T342-I365 PolarHBondContact O-N 3.32Å; T342-W613 PolarHBondContact OG1-NE1 3Å; T342-W613 VanDerWaalsContact OG1-NE1 3.11Å; T342-T660 HydrophobicContact CG2-CG2 4.3Å; T342-T661 CarbonylContact C-O 3.52Å; T342-T661 WeakPolarHBondContact CA-O 3.45Å; T342-T661 WeakPolarHBondContact CG2-O 3.21Å
343	A	91.6	Very high	69.1	Low	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	140	168.5	0	0	0	0	0	112.4	Y363 I409 T660 T661 L663	A343-Y363 CarbonylContact C-O 3.59Å; A343-Y363 WeakPolarHBondContact CA-O 3.29Å; A343-I409 HydrophobicContact CB-CD1 4.09Å; A343-T660 CarbonylContact O-C 3.54Å; A343-T660 WeakPolarHBondContact O-CA 3.41Å; A343-T661 HydrophobicContact CB-CG2 4.05Å; A343-T661 PolarHBondContact N-O 3.43Å; A343-T661 PolarHBondContact O-N 2.64Å; A343-L663 HydrophobicContact CB-CD1 3.92Å; A343-L663 HydrophobicContact CB-CD2 3.85Å; A343-L663 HydrophobicContact CB-CG 3.81Å
344	L	93.5	Very high	71.9	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	119.6	168	-180	64.2	0	0	0	109	C362 Y363 I365 L406 R611 F618 I620 T660	L344-C362 CarbonylContact O-C 3.58Å; L344-C362 WeakPolarHBondContact O-CA 3.41Å; L344-Y363 PolarHBondContact N-O 2.82Å; L344-Y363 PolarHBondContact O-N 2.88Å; L344-I365 HydrophobicContact CB-CD1 4.01Å; L344-I365 HydrophobicContact CB-CG1 4.06Å; L344-L406 HydrophobicContact CD2-CD1 4.12Å; L344-L406 HydrophobicContact CD2-CD2 4.41Å; L344-R611 HydrophobicContact CD1-CB 4.15Å; L344-R611 HydrophobicContact CD1-CG 4.23Å; L344-F618 HydrophobicContact CD2-CB 4.42Å; L344-F618 HydrophobicContact CD2-CD1 4.35Å; L344-F618 HydrophobicContact CD2-CD2 4.44Å; L344-F618 HydrophobicContact CD2-CG 4.17Å; L344-I620 HydrophobicContact CD1-CD1 3.84Å; L344-I620 HydrophobicContact CD2-CD1 3.68Å; L344-I620 HydrophobicContact CG-CD1 3.97Å; L344-T660 HydrophobicContact CD1-CG2 4.01Å
345	I	93.8	Very high	74.8	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.5	-176.1	-53.4	173.8	0	0	0	109.1	F347 I360 C362 L411 L414 I433 S658 I659 T661	I345-F347 HydrophobicContact CB-CE2 3.97Å; I345-F347 HydrophobicContact CB-CZ 4.35Å; I345-F347 HydrophobicContact CG2-CD2 4.16Å; I345-F347 HydrophobicContact CG2-CE1 4.33Å; I345-F347 HydrophobicContact CG2-CE2 3.37Å; I345-F347 HydrophobicContact CG2-CZ 3.45Å; I345-F347 VanDerWaalsContact CG2-CZ 3.45Å; I345-I360 HydrophobicContact CG2-CG2 3.44Å; I345-I360 VanDerWaalsContact CG2-CG2 3.44Å; I345-C362 HydrophobicContact CG1-CB 4.46Å; I345-L411 HydrophobicContact CD1-CD1 3.94Å; I345-L414 HydrophobicContact CD1-CD2 4.02Å; I345-L414 HydrophobicContact CG2-CD2 4.31Å; I345-I433 HydrophobicContact CD1-CD1 3.69Å; I345-S658 VanDerWaalsContact O-CA 3.26Å; I345-S658 WeakPolarHBondContact O-CA 3.32Å; I345-I659 HydrophobicContact CB-CD1 4.4Å; I345-I659 HydrophobicContact CB-CG1 3.92Å; I345-I659 HydrophobicContact CD1-CD1 4.49Å; I345-I659 PolarHBondContact N-O 3.23Å; I345-I659 PolarHBondContact O-N 2.91Å; I345-T661 HydrophobicContact CD1-CG2 3.69Å
346	C	94.3	Very high	77.8	Confident	5 Å²	5	64.2 Å²	64.2	3%	0.034	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.8	-177.9	-57.3	0	0	0	0	110.2	I360 T361 L649 C657	C346-I360 CarbonylContact O-C 3.58Å; C346-I360 WeakPolarHBondContact O-CA 3.37Å; C346-T361 PolarHBondContact N-O 3.07Å; C346-T361 PolarHBondContact O-N 3.29Å; C346-L649 HydrophobicContact CB-CD2 4.04Å; C346-C657 CarbonylContact C-O 3.46Å; C346-C657 WeakPolarHBondContact CA-O 3.35Å
347	F	93.9	Very high	80.9	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.9	-176.1	-62.9	-99.2	0	0	0	111.2	I345 I360 M417 F424 A426 I433 C656 C657 I659	I345-F347 HydrophobicContact CB-CE2 3.97Å; I345-F347 HydrophobicContact CB-CZ 4.35Å; I345-F347 HydrophobicContact CG2-CD2 4.16Å; I345-F347 HydrophobicContact CG2-CE1 4.33Å; I345-F347 HydrophobicContact CG2-CE2 3.37Å; I345-F347 HydrophobicContact CG2-CZ 3.45Å; I345-F347 VanDerWaalsContact CG2-CZ 3.45Å; F347-I360 HydrophobicContact CD1-CD1 3.75Å; F347-I360 HydrophobicContact CD1-CG1 3.71Å; F347-I360 HydrophobicContact CD1-CG2 4.22Å; F347-I360 HydrophobicContact CE1-CD1 3.65Å; F347-I360 HydrophobicContact CE1-CG1 4.02Å; F347-I360 HydrophobicContact CE1-CG2 4.07Å; F347-I360 HydrophobicContact CZ-CG2 4.35Å; F347-M417 HydrophobicContact CB-SD 4.39Å; F347-M417 HydrophobicContact CD1-CG 4.3Å; F347-F424 HydrophobicContact CB-CE2 3.77Å; F347-F424 HydrophobicContact CB-CZ 3.96Å; F347-A426 HydrophobicContact CD2-CB 4.02Å; F347-A426 HydrophobicContact CE2-CB 4.2Å; F347-A426 HydrophobicContact CG-CB 4.3Å; F347-I433 HydrophobicContact CE1-CG2 4.28Å; F347-I433 HydrophobicContact CZ-CD1 4.38Å; F347-I433 HydrophobicContact CZ-CG2 3.74Å; F347-C656 WeakPolarHBondContact O-CA 3.37Å; F347-C656 WeakPolarHBondContact O-CB 3.34Å; F347-C657 HydrophobicContact CB-CB 4.35Å; F347-C657 PolarHBondContact N-O 3.01Å; F347-C657 PolarHBondContact O-N 3.07Å; F347-C657 VanDerWaalsContact O-N 3.12Å; F347-I659 HydrophobicContact CE2-CD1 3.46Å; F347-I659 VanDerWaalsContact CE2-CD1 3.46Å; F347-I659 HydrophobicContact CE2-CG1 3.79Å; F347-I659 HydrophobicContact CZ-CD1 3.74Å; F347-I659 HydrophobicContact CZ-CG1 4.5Å
348	G	88.8	Confident	83.7	Confident	6 Å²	6	49.6 Å²	49.6	6%	0.062	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	48.5	-143.7	162.2	0	0	0	0	0	115.2	S357 N359 C656	G348-S357 WeakPolarHBondContact CA-O 3.37Å; G348-N359 WeakPolarHBondContact CA-O 3.41Å; G348-N359 PolarHBondContact N-O 2.98Å; G348-C656 VanDerWaalsContact O-CB 3.3Å; G348-C656 WeakPolarHBondContact O-CB 3.46Å
349	G	89.2	Confident	86.3	Confident	4 Å²	4	45.9 Å²	45.9	4%	0.041	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124	-173.8	179.8	0	0	0	0	0	112.5	F356 S357 S654	G349-F356 CarbonylContact O-C 3.51Å; G349-F356 VanDerWaalsContact O-CA 3.32Å; G349-F356 WeakPolarHBondContact O-CA 3.48Å; G349-S357 PolarHBondContact O-N 3.35Å; G349-S654 CarbonylContact C-O 3.46Å; G349-S654 WeakPolarHBondContact CA-O 3.36Å
350	R	90.8	Very high	88.4	Confident	106 Å²	106	44.3 Å²	44.3	40%	0.4	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.9	175.5	-173.6	-178.6	-172.5	178.2	0.1	109.7	S355 F356 V653 S654	R350-S355 WeakPolarHBondContact CA-O 3.34Å; R350-F356 HydrophobicContact CB-CD1 4.08Å; R350-F356 HydrophobicContact CB-CE1 3.94Å; R350-F356 HydrophobicContact CG-CD1 4.38Å; R350-F356 HydrophobicContact CG-CE1 4.01Å; R350-V653 WeakPolarHBondContact O-CA 3.31Å; R350-S654 PolarHBondContact N-O 3.39Å; R350-S654 PolarHBondContact O-N 3.46Å; R350-S654 PolarHBondContact O-OG 2.73Å
351	L	90.7	Very high	90.2	Very high	36 Å²	36	40 Å²	40	19%	0.188	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	169.9	180	-65.8	170.8	0	0	0	111.7	D353 K354 S355 Y651 V653	L351-D353 VanDerWaalsContact C-N 3.29Å; L351-D353 VanDerWaalsContact CB-OD1 3.29Å; L351-D353 WeakPolarHBondContact CB-OD1 3.39Å; L351-D353 PolarHBondContact O-N 2.68Å; L351-K354 WeakPolarHBondContact O-CA 3.39Å; L351-K354 PolarHBondContact O-N 2.99Å; L351-S355 WeakPolarHBondContact CD1-OG 3.31Å; L351-S355 PolarHBondContact N-O 3.19Å; L351-Y651 HydrophobicContact CD2-CG 4.36Å; L351-V653 HydrophobicContact CD2-CG1 3.77Å
352	F	87.4	Confident	90.9	Very high	128 Å²	128	37.4 Å²	37.4	56%	0.561	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-40.3	178	-179	-90.6	0	0	0	113.1	K354 E627 L652	F352-K354 PolarHBondContact O-N 3.23Å; F352-E627 HydrophobicContact CD2-CB 4.19Å; F352-E627 HydrophobicContact CE2-CB 4.01Å; F352-L652 HydrophobicContact CD2-CD1 4.35Å
353	D	88	Confident	91.1	Very high	109 Å²	109	36.9 Å²	36.9	58%	0.583	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	6.9	176.8	71	-12	0	0	0	113.9	L351 S355	L351-D353 VanDerWaalsContact C-N 3.29Å; L351-D353 VanDerWaalsContact CB-OD1 3.29Å; L351-D353 WeakPolarHBondContact CB-OD1 3.39Å; L351-D353 PolarHBondContact O-N 2.68Å; D353-S355 PolarHBondContact O-N 3.47Å; D353-S355 VanDerWaalsContact OD1-CB 3.23Å; D353-S355 WeakPolarHBondContact OD1-CB 3.48Å; D353-S355 PolarHBondContact OD1-N 2.86Å; D353-S355 PolarHBondContact OD1-OG 3.35Å; D353-S355 PolarHBondContact OD2-OG 3.48Å; D353-S355 VanDerWaalsContact OD2-OG 3.06Å
354	K	84.1	Confident	91.1	Very high	147 Å²	147	39 Å²	39	64%	0.639	19%	0.192	S	C	*	.	S	Bend	trans	68.3	3	-176.3	-54.9	173.4	-179.5	174	0	114.6	L351 F352	L351-K354 WeakPolarHBondContact O-CA 3.39Å; L351-K354 PolarHBondContact O-N 2.99Å; F352-K354 PolarHBondContact O-N 3.23Å
355	S	90.1	Very high	91	Very high	44 Å²	44	39 Å²	39	31%	0.308	19%	0.192	S	C	.	.			trans	-73.1	169.4	169.9	77.3	0	0	0	0	110.8	R350 L351 D353	R350-S355 WeakPolarHBondContact CA-O 3.34Å; L351-S355 WeakPolarHBondContact CD1-OG 3.31Å; L351-S355 PolarHBondContact N-O 3.19Å; D353-S355 PolarHBondContact O-N 3.47Å; D353-S355 VanDerWaalsContact OD1-CB 3.23Å; D353-S355 WeakPolarHBondContact OD1-CB 3.48Å; D353-S355 PolarHBondContact OD1-N 2.86Å; D353-S355 PolarHBondContact OD1-OG 3.35Å; D353-S355 PolarHBondContact OD2-OG 3.48Å; D353-S355 VanDerWaalsContact OD2-OG 3.06Å
356	F	89.3	Confident	90.5	Very high	58 Å²	58	40.2 Å²	40.2	25%	0.254	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	147	176.3	-59.9	-72.6	0	0	0	109.7	G349 R350 L420 K422	G349-F356 CarbonylContact O-C 3.51Å; G349-F356 VanDerWaalsContact O-CA 3.32Å; G349-F356 WeakPolarHBondContact O-CA 3.48Å; R350-F356 HydrophobicContact CB-CD1 4.08Å; R350-F356 HydrophobicContact CB-CE1 3.94Å; R350-F356 HydrophobicContact CG-CD1 4.38Å; R350-F356 HydrophobicContact CG-CE1 4.01Å; F356-L420 HydrophobicContact CB-CD1 3.92Å; F356-L420 HydrophobicContact CB-CG 4.37Å; F356-L420 WeakPolarHBondContact O-CD1 3.44Å; F356-K422 HydrophobicContact CD1-CB 3.62Å; F356-K422 HydrophobicContact CD1-CD 4.41Å; F356-K422 HydrophobicContact CD2-CB 4.46Å; F356-K422 HydrophobicContact CD2-CD 4.28Å; F356-K422 HydrophobicContact CE1-CB 3.5Å; F356-K422 HydrophobicContact CE1-CD 3.65Å; F356-K422 HydrophobicContact CE1-CG 4.19Å; F356-K422 HydrophobicContact CE2-CB 4.38Å; F356-K422 HydrophobicContact CE2-CD 3.51Å; F356-K422 HydrophobicContact CG-CB 4.13Å; F356-K422 HydrophobicContact CZ-CB 3.94Å; F356-K422 HydrophobicContact CZ-CD 3.16Å; F356-K422 HydrophobicContact CZ-CG 4.16Å
357	S	90.8	Very high	89.5	Confident	8 Å²	8	42.3 Å²	42.3	6%	0.056	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	138.7	175.2	-174.3	0	0	0	0	110.9	G348 G349 N359 M417	G348-S357 WeakPolarHBondContact CA-O 3.37Å; G349-S357 PolarHBondContact O-N 3.35Å; S357-N359 WeakPolarHBondContact OG-CB 3.39Å; S357-N359 PolarHBondContact OG-N 3.37Å; S357-N359 VanDerWaalsContact OG-N 3.07Å; S357-N359 PolarHBondContact OG-ND2 3.14Å; S357-M417 WeakPolarHBondContact O-CE 3.36Å
358	S	92	Very high	88	Confident	33 Å²	33	44.3 Å²	44.3	23%	0.231	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	0.8	166.4	54.9	0	0	0	0	113.2	T416 M417	S358-T416 CarbonylContact O-C 3.54Å; S358-T416 VanDerWaalsContact O-CA 3.28Å; S358-T416 WeakPolarHBondContact O-CA 3.3Å; S358-M417 PolarHBondContact O-N 2.89Å
359	N	92.1	Very high	86.3	Confident	53 Å²	53	49.9 Å²	49.9	28%	0.283	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	145.4	-171.9	-63.6	-15.3	0	0	0	111.5	G348 S357 Y651	G348-N359 WeakPolarHBondContact CA-O 3.41Å; G348-N359 PolarHBondContact N-O 2.98Å; S357-N359 WeakPolarHBondContact OG-CB 3.39Å; S357-N359 PolarHBondContact OG-N 3.37Å; S357-N359 VanDerWaalsContact OG-N 3.07Å; S357-N359 PolarHBondContact OG-ND2 3.14Å; N359-Y651 HydrophobicContact CB-CE2 4.49Å; N359-Y651 WeakPolarHBondContact ND2-CE2 3.27Å
360	I	93.5	Very high	84.2	Confident	14 Å²	14	50.9 Å²	50.9	7%	0.072	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132	173.5	-56.1	171	0	0	0	107.8	I345 C346 F347 L414 N415 M417 W457	I345-I360 HydrophobicContact CG2-CG2 3.44Å; I345-I360 VanDerWaalsContact CG2-CG2 3.44Å; C346-I360 CarbonylContact O-C 3.58Å; C346-I360 WeakPolarHBondContact O-CA 3.37Å; F347-I360 HydrophobicContact CD1-CD1 3.75Å; F347-I360 HydrophobicContact CD1-CG1 3.71Å; F347-I360 HydrophobicContact CD1-CG2 4.22Å; F347-I360 HydrophobicContact CE1-CD1 3.65Å; F347-I360 HydrophobicContact CE1-CG1 4.02Å; F347-I360 HydrophobicContact CE1-CG2 4.07Å; F347-I360 HydrophobicContact CZ-CG2 4.35Å; I360-L414 HydrophobicContact CD1-CD1 3.77Å; I360-L414 HydrophobicContact CD1-CG 4.1Å; I360-L414 HydrophobicContact CG2-CD2 4.44Å; I360-L414 HydrophobicContact CG2-CG 4.1Å; I360-N415 PolarHBondContact N-O 3.41Å; I360-M417 HydrophobicContact CD1-CG 4.11Å; I360-M417 HydrophobicContact CG1-CG 4.09Å; I360-W457 HydrophobicContact CD1-CZ2 4.11Å
361	T	93.4	Very high	81.6	Confident	15 Å²	15	47.2 Å²	47.2	9%	0.092	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.9	177.6	-52.6	0	0	0	0	109.5	C346 Y363 L649 P650	C346-T361 PolarHBondContact N-O 3.07Å; C346-T361 PolarHBondContact O-N 3.29Å; T361-Y363 HydrophobicContact CG2-CD2 4.34Å; T361-Y363 HydrophobicContact CG2-CE2 3.49Å; T361-Y363 VanDerWaalsContact CG2-CE2 3.49Å; T361-Y363 WeakPolarHBondContact CG2-OH 3.17Å; T361-L649 HydrophobicContact CG2-CD2 4.36Å; T361-P650 HydrophobicContact CG2-CG 4.22Å
362	C	93.5	Very high	79	Confident	4 Å²	4	49.6 Å²	49.6	3%	0.027	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138	-177.2	-56.4	0	0	0	0	110.5	L344 I345 Q408 I409	L344-C362 CarbonylContact O-C 3.58Å; L344-C362 WeakPolarHBondContact O-CA 3.41Å; I345-C362 HydrophobicContact CG1-CB 4.46Å; C362-Q408 WeakPolarHBondContact O-CA 3.17Å; C362-I409 HydrophobicContact CB-CD1 4.28Å; C362-I409 HydrophobicContact CB-CG1 3.65Å; C362-I409 PolarHBondContact O-N 3.49Å
363	Y	92.9	Very high	76.8	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.7	172.9	-59.7	-89	0	0	0	109.8	A343 L344 T361 L406 K407 Q408 I632 T648 L649	A343-Y363 CarbonylContact C-O 3.59Å; A343-Y363 WeakPolarHBondContact CA-O 3.29Å; L344-Y363 PolarHBondContact N-O 2.82Å; L344-Y363 PolarHBondContact O-N 2.88Å; T361-Y363 HydrophobicContact CG2-CD2 4.34Å; T361-Y363 HydrophobicContact CG2-CE2 3.49Å; T361-Y363 VanDerWaalsContact CG2-CE2 3.49Å; T361-Y363 WeakPolarHBondContact CG2-OH 3.17Å; Y363-L406 HydrophobicContact CD1-CB 3.93Å; Y363-L406 HydrophobicContact CG-CB 4.18Å; Y363-L406 HydrophobicContact CG-CD1 4.43Å; Y363-K407 CarbonylContact C-O 3.49Å; Y363-K407 VanDerWaalsContact CA-O 3.27Å; Y363-K407 WeakPolarHBondContact CA-O 3.46Å; Y363-Q408 HydrophobicContact CD1-CB 4.04Å; Y363-Q408 HydrophobicContact CE1-CB 4.01Å; Y363-Q408 HydrophobicContact CE1-CG 4.34Å; Y363-I632 HydrophobicContact CE2-CD1 4.31Å; Y363-T648 PolarHBondContact OH-O 3.33Å; Y363-L649 HydrophobicContact CE2-CD2 3.93Å; Y363-L649 WeakPolarHBondContact OH-CA 3.45Å
364	K	91.3	Very high	74.6	Confident	44 Å²	44	50.4 Å²	50.4	19%	0.191	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	132.1	162.7	-174.7	166.8	177.5	168.6	0	108.9	E340 N341 F366 K407 I409 L663	E340-K364 WeakPolarHBondContact O-CE 3.48Å; E340-K364 PolarHBondContact O-NZ 2.83Å; E340-K364 VanDerWaalsContact O-NZ 3.13Å; N341-K364 PolarHBondContact OD1-NZ 2.78Å; K364-F366 HydrophobicContact CB-CE2 3.82Å; K364-F366 HydrophobicContact CB-CZ 4.37Å; K364-F366 HydrophobicContact CD-CE1 4.31Å; K364-F366 HydrophobicContact CD-CE2 3.92Å; K364-F366 HydrophobicContact CD-CZ 3.57Å; K364-F366 HydrophobicContact CG-CD2 4.31Å; K364-F366 HydrophobicContact CG-CE2 3.61Å; K364-F366 HydrophobicContact CG-CZ 3.8Å; K364-K407 PolarHBondContact N-O 3.05Å; K364-K407 PolarHBondContact O-N 3.49Å; K364-I409 HydrophobicContact CB-CD1 4.28Å; K364-I409 HydrophobicContact CB-CG2 3.82Å; K364-L663 HydrophobicContact CD-CD1 4.43Å
365	I	90.8	Very high	72.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	132.1	179.7	-51.1	164.8	0	0	0	108.8	T342 L344 P404 L406 W613 F618 T660	T342-I365 HydrophobicContact CG2-CD1 4.09Å; T342-I365 PolarHBondContact O-N 3.32Å; L344-I365 HydrophobicContact CB-CD1 4.01Å; L344-I365 HydrophobicContact CB-CG1 4.06Å; I365-P404 HydrophobicContact CG2-CB 3.82Å; I365-L406 HydrophobicContact CB-CD2 4.19Å; I365-L406 HydrophobicContact CG1-CD2 3.71Å; I365-L406 HydrophobicContact CG2-CD2 4.11Å; I365-W613 HydrophobicContact CB-CH2 4.2Å; I365-W613 HydrophobicContact CB-CZ2 4.08Å; I365-W613 HydrophobicContact CD1-CB 4.49Å; I365-W613 HydrophobicContact CD1-CD2 3.95Å; I365-W613 HydrophobicContact CD1-CG 3.93Å; I365-W613 HydrophobicContact CG2-CD2 4.1Å; I365-W613 HydrophobicContact CG2-CE3 3.82Å; I365-W613 HydrophobicContact CG2-CH2 3.28Å; I365-W613 HydrophobicContact CG2-CZ2 3.65Å; I365-W613 HydrophobicContact CG2-CZ3 3.43Å; I365-W613 VanDerWaalsContact CG2-CZ3 3.43Å; I365-F618 HydrophobicContact CD1-CE2 4.06Å; I365-F618 HydrophobicContact CD1-CZ 4.36Å; I365-F618 HydrophobicContact CG2-CZ 4.11Å; I365-T660 HydrophobicContact CD1-CG2 4.25Å
366	F	83.4	Confident	69.9	Low	26 Å²	26	51.8 Å²	51.8	11%	0.114	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.4	174.7	-65.8	-92.7	0	0	0	110.1	K364 F371 P404 Y405 K407	K364-F366 HydrophobicContact CB-CE2 3.82Å; K364-F366 HydrophobicContact CB-CZ 4.37Å; K364-F366 HydrophobicContact CD-CE1 4.31Å; K364-F366 HydrophobicContact CD-CE2 3.92Å; K364-F366 HydrophobicContact CD-CZ 3.57Å; K364-F366 HydrophobicContact CG-CD2 4.31Å; K364-F366 HydrophobicContact CG-CE2 3.61Å; K364-F366 HydrophobicContact CG-CZ 3.8Å; F366-F371 HydrophobicContact CB-CD2 4.01Å; F366-F371 AromaticContact CD1-CD2 3.72Å; F366-F371 HydrophobicContact CD1-CD2 3.72Å; F366-F371 HydrophobicContact CD1-CE2 4.18Å; F366-F371 HydrophobicContact CE1-CD2 4.32Å; F366-F371 HydrophobicContact CE1-CE2 4.4Å; F366-F371 AromaticContact CG-CD2 3.87Å; F366-F371 HydrophobicContact CG-CD2 3.87Å; F366-F371 HydrophobicContact CG-CE2 4.29Å; F366-P404 WeakPolarHBondContact O-CA 3.28Å; F366-Y405 HydrophobicContact CD2-CD1 4.32Å; F366-Y405 PolarHBondContact N-O 2.87Å; F366-Y405 PolarHBondContact O-N 2.91Å; F366-K407 HydrophobicContact CD2-CB 4.14Å; F366-K407 HydrophobicContact CE2-CB 3.58Å; F366-K407 HydrophobicContact CE2-CD 4.12Å; F366-K407 HydrophobicContact CZ-CD 4.4Å
367	E	73.7	Confident	67.5	Low	50 Å²	50	55.4 Å²	55.4	23%	0.234	29%	0.285	C	S	.	.			trans	-75.9	130.7	165.1	-65	-166.5	162.1	0	0	109	K369 S370 F371 W613 N614	E367-K369 PolarHBondContact O-N 3.16Å; E367-S370 PolarHBondContact O-N 2.69Å; E367-S370 PolarHBondContact O-OG 3.48Å; E367-F371 PolarHBondContact O-N 2.94Å; E367-W613 HydrophobicContact CG-CH2 3.35Å; E367-W613 HydrophobicContact CG-CZ2 4.21Å; E367-W613 HydrophobicContact CG-CZ3 4.03Å; E367-N614 PolarHBondContact OE1-ND2 2.76Å
368	L	61.7	Low	65	Low	42 Å²	42	61 Å²	61	22%	0.22	31%	0.313	C	S	.	.	H	α-helix	trans	-59	-26.2	-175.4	-113.7	104.2	0	0	0	113.2	S370 F371 I372 T402 F403	L368-S370 VanDerWaalsContact C-N 3.3Å; L368-S370 PolarHBondContact O-N 3.08Å; L368-F371 PolarHBondContact O-N 3.14Å; L368-I372 HydrophobicContact CD2-CD1 4.18Å; L368-I372 HydrophobicContact CD2-CG1 4.46Å; L368-I372 WeakPolarHBondContact O-CG1 3.45Å; L368-I372 PolarHBondContact O-N 3.32Å; L368-T402 HydrophobicContact CB-CG2 4.35Å; L368-F403 WeakPolarHBondContact CD1-O 3.43Å
369	K	54.5	Low	62.2	Low	123 Å²	123	62.5 Å²	62.5	54%	0.535	32%	0.316	S	S	.	.	H	α-helix	trans	-61.7	-34.5	175.3	-71.4	-166.3	170.7	-161.1	0	112.8	E367 E399	E367-K369 PolarHBondContact O-N 3.16Å; K369-E399 IonicContact NZ-OE1 3.92Å; K369-E399 PolarHBondContact NZ-OE1 3.16Å
370	S	43.4	Very low	59.6	Low	24 Å²	24	65.7 Å²	65.7	17%	0.168	33%	0.331	C	S	.	.	H	α-helix	trans	-84.4	-28	175.1	56.6	0	0	0	0	112.4	E367 L368	E367-S370 PolarHBondContact O-N 2.69Å; E367-S370 PolarHBondContact O-OG 3.48Å; L368-S370 VanDerWaalsContact C-N 3.3Å; L368-S370 PolarHBondContact O-N 3.08Å
371	F	37.2	Very low	56.8	Low	29 Å²	29	71.4 Å²	71.4	13%	0.127	36%	0.362	C	S	.	.	H	α-helix	trans	-75.8	-36.4	-177.4	-155.3	-90.9	0	0	0	113.9	F366 E367 L368 N373 Q374 N375 F379	F366-F371 HydrophobicContact CB-CD2 4.01Å; F366-F371 AromaticContact CD1-CD2 3.72Å; F366-F371 HydrophobicContact CD1-CD2 3.72Å; F366-F371 HydrophobicContact CD1-CE2 4.18Å; F366-F371 HydrophobicContact CE1-CD2 4.32Å; F366-F371 HydrophobicContact CE1-CE2 4.4Å; F366-F371 AromaticContact CG-CD2 3.87Å; F366-F371 HydrophobicContact CG-CD2 3.87Å; F366-F371 HydrophobicContact CG-CE2 4.29Å; E367-F371 PolarHBondContact O-N 2.94Å; L368-F371 PolarHBondContact O-N 3.14Å; F371-N373 VanDerWaalsContact C-N 3.29Å; F371-N373 PolarHBondContact O-N 2.94Å; F371-Q374 PolarHBondContact O-N 3.16Å; F371-Q374 VanDerWaalsContact O-N 3.15Å; F371-N375 HydrophobicContact CE1-CB 4.35Å; F371-N375 PolarHBondContact O-N 2.98Å; F371-F379 HydrophobicContact CD1-CE2 4.37Å; F371-F379 HydrophobicContact CE1-CD2 4.09Å; F371-F379 AromaticContact CE1-CE2 3.47Å; F371-F379 HydrophobicContact CE1-CE2 3.47Å; F371-F379 VanDerWaalsContact CE1-CE2 3.47Å; F371-F379 AromaticContact CE1-CZ 3.81Å; F371-F379 HydrophobicContact CE1-CZ 3.81Å; F371-F379 HydrophobicContact CZ-CE2 4.28Å; F371-F379 HydrophobicContact CZ-CZ 4.43Å
372	I	36.9	Very low	53.9	Low	86 Å²	86	78.2 Å²	78.2	44%	0.441	39%	0.393	S	S	.	.	H	α-helix	trans	-63.6	-37.4	178.1	-67.9	167.9	0	0	0	110.9	L368 Q374 N375	L368-I372 HydrophobicContact CD2-CD1 4.18Å; L368-I372 HydrophobicContact CD2-CG1 4.46Å; L368-I372 WeakPolarHBondContact O-CG1 3.45Å; L368-I372 PolarHBondContact O-N 3.32Å; I372-Q374 PolarHBondContact O-N 3Å; I372-Q374 VanDerWaalsContact O-N 3.16Å; I372-N375 PolarHBondContact O-N 2.78Å
373	N	39.7	Very low	51.2	Low	133 Å²	133	83.4 Å²	83.4	71%	0.711	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-15.2	177.5	-70.6	-12	0	0	0	113.8	F371	F371-N373 VanDerWaalsContact C-N 3.29Å; F371-N373 PolarHBondContact O-N 2.94Å
374	Q	42	Very low	48.3	Very low	122 Å²	122	90.1 Å²	90.1	57%	0.57	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-17.2	-177.9	-67.8	-176.7	-1	0	0	113.8	F371 I372	F371-Q374 PolarHBondContact O-N 3.16Å; F371-Q374 VanDerWaalsContact O-N 3.15Å; I372-Q374 PolarHBondContact O-N 3Å; I372-Q374 VanDerWaalsContact O-N 3.16Å
375	N	37.5	Very low	45.4	Very low	61 Å²	61	95 Å²	95	33%	0.326	47%	0.473	S	S	.	.			trans	-145.4	71	-175	-72.8	-56.8	0	0	0	112.1	F371 I372 T377	F371-N375 HydrophobicContact CE1-CB 4.35Å; F371-N375 PolarHBondContact O-N 2.98Å; I372-N375 PolarHBondContact O-N 2.78Å; N375-T377 PolarHBondContact O-N 3.2Å
376	E	38.7	Very low	42.4	Very low	159 Å²	159	99.9 Å²	99.9	74%	0.743	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-6.3	-179.7	-74.1	-173.3	149	0	0	115
377	T	39.2	Very low	39.8	Very low	134 Å²	134	106.3 Å²	106.3	82%	0.822	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	0	-169.1	39.6	0	0	0	0	116.5	N375	N375-T377 PolarHBondContact O-N 3.2Å
378	L	37.4	Very low	37.7	Very low	125 Å²	125	109.7 Å²	109.7	65%	0.654	57%	0.565	S	S	*	*	S	Bend	trans	-123.8	-4.1	-167.5	-85.8	146.9	0	0	0	117.1
379	F	33.6	Very low	36.1	Very low	65 Å²	65	114.9 Å²	114.9	29%	0.285	59%	0.593	S	S	.	*	S	Bend	trans	-118.9	-1	-166.1	-86.6	-87.4	0	0	0	117.5	F371 D381 Y383	F371-F379 HydrophobicContact CD1-CE2 4.37Å; F371-F379 HydrophobicContact CE1-CD2 4.09Å; F371-F379 AromaticContact CE1-CE2 3.47Å; F371-F379 HydrophobicContact CE1-CE2 3.47Å; F371-F379 VanDerWaalsContact CE1-CE2 3.47Å; F371-F379 AromaticContact CE1-CZ 3.81Å; F371-F379 HydrophobicContact CE1-CZ 3.81Å; F371-F379 HydrophobicContact CZ-CE2 4.28Å; F371-F379 HydrophobicContact CZ-CZ 4.43Å; F379-D381 VanDerWaalsContact C-N 3.33Å; F379-D381 PolarHBondContact O-N 2.82Å; F379-Y383 HydrophobicContact CD1-CD2 4.36Å; F379-Y383 HydrophobicContact CD1-CE2 4.33Å
380	I	38.1	Very low	34.8	Very low	119 Å²	119	117.6 Å²	117.6	61%	0.61	61%	0.607	S	S	*	*	H	α-helix	trans	-70.7	-29.3	-177.8	-62.4	177.2	0	0	0	111.8
381	D	33.6	Very low	34.1	Very low	135 Å²	135	123.3 Å²	123.3	72%	0.722	64%	0.636	S	S	*	*	H	α-helix	trans	-86.7	-19.2	-172.7	-70.9	-20.9	0	0	0	115.5	F379	F379-D381 VanDerWaalsContact C-N 3.33Å; F379-D381 PolarHBondContact O-N 2.82Å
382	Q	33.8	Very low	33.8	Very low	157 Å²	157	131.9 Å²	131.9	73%	0.734	67%	0.669	S	S	*	*	H	α-helix	trans	-97.7	-15.1	-173.6	-71.6	-172.1	-6.4	0	0	114.7
383	Y	36.6	Very low	33.3	Very low	114 Å²	114	133.2 Å²	133.2	45%	0.447	69%	0.686	S	S	.	*	H	α-helix	trans	-105.7	-8.4	179.6	-88.7	-86.8	0	0	0	114.5	F379 N385	F379-Y383 HydrophobicContact CD1-CD2 4.36Å; F379-Y383 HydrophobicContact CD1-CE2 4.33Å; Y383-N385 VanDerWaalsContact C-N 3.29Å; Y383-N385 PolarHBondContact O-N 3.22Å
384	Q	31.9	Very low	32.8	Very low	144 Å²	144	133.8 Å²	133.8	67%	0.673	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-9.9	177.6	-82.7	-173.6	-23.5	0	0	114.7
385	N	30.6	Very low	32.1	Very low	148 Å²	148	131.9 Å²	131.9	79%	0.791	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	7.4	-174.5	-81	-28.7	0	0	0	115.6	Y383	Y383-N385 VanDerWaalsContact C-N 3.29Å; Y383-N385 PolarHBondContact O-N 3.22Å
386	C	27.4	Very low	31.8	Very low	102 Å²	102	137 Å²	137	69%	0.689	73%	0.73	S	S	*	*	S	Bend	trans	-136.9	112.1	173.4	-71.8	0	0	0	0	110.5
387	N	27.4	Very low	31.3	Very low	161 Å²	161	132.7 Å²	132.7	86%	0.861	72%	0.717	S	S	*	*			trans	75	73.8	169.2	-53.1	-23.4	0	0	0	117.1
388	V	30	Very low	30.9	Very low	120 Å²	120	134.9 Å²	134.9	73%	0.727	72%	0.72	S	S	*	*			trans	-138.5	104	147.8	-174.9	0	0	0	0	108.4	E390	V388-E390 PolarHBondContact O-N 2.88Å
389	D	28.1	Very low	30.9	Very low	151 Å²	151	136.1 Å²	136.1	81%	0.807	72%	0.722	S	S	*	*			trans	-59.5	119.8	154.5	-79.4	-40.3	0	0	0	107	N391	D389-N391 VanDerWaalsContact C-N 3.26Å; D389-N391 PolarHBondContact O-N 3.37Å
390	E	28	Very low	31.1	Very low	181 Å²	181	136.8 Å²	136.8	85%	0.846	74%	0.735	S	S	*	*	S	Bend	trans	-62.4	78	179.8	-67.7	-177.4	151.9	0	0	111.1	V388	V388-E390 PolarHBondContact O-N 2.88Å
391	N	28.4	Very low	31.6	Very low	144 Å²	144	134.5 Å²	134.5	77%	0.77	73%	0.729	S	S	*	*			trans	-157.6	25.3	172.6	-90.8	-39	0	0	0	115	D389	D389-N391 VanDerWaalsContact C-N 3.26Å; D389-N391 PolarHBondContact O-N 3.37Å
392	Y	30.3	Very low	33.3	Very low	208 Å²	208	130 Å²	130	82%	0.816	71%	0.706	S	S	*	*			trans	-129.5	69.3	174.1	-77.8	-81.8	0	0	0	112.6	N394	Y392-N394 PolarHBondContact O-N 3.19Å
393	S	26.7	Very low	35.5	Very low	115 Å²	115	124.4 Å²	124.4	80%	0.804	68%	0.68	S	S	*	*			trans	-84.8	82.6	160.9	37.1	0	0	0	0	109.6
394	N	29.7	Very low	37.8	Very low	145 Å²	145	119.1 Å²	119.1	78%	0.775	66%	0.659	S	S	*	*			trans	-161	109.9	157.4	-97.6	-24.3	0	0	0	109.6	Y392 N396	Y392-N394 PolarHBondContact O-N 3.19Å; N394-N396 VanDerWaalsContact C-N 3.3Å; N394-N396 PolarHBondContact O-N 3.04Å
395	G	27.7	Very low	40.3	Very low	82 Å²	82	114.9 Å²	114.9	85%	0.845	64%	0.638	S	S	*	*	S	Bend	trans	-73.9	59	-166.2	0	0	0	0	0	116.6
396	N	29.8	Very low	43.1	Very low	168 Å²	168	107.9 Å²	107.9	90%	0.898	60%	0.6	S	S	*	*	S	Bend	trans	-144.1	19.8	174	-91.3	-21.3	0	0	0	114.7	N394	N394-N396 VanDerWaalsContact C-N 3.3Å; N394-N396 PolarHBondContact O-N 3.04Å
397	S	29.8	Very low	46.1	Very low	68 Å²	68	108.5 Å²	108.5	48%	0.476	59%	0.591	S	S	.	*			trans	-123.6	10.4	-171.5	58.8	0	0	0	0	116.9	E399 S400	S397-E399 PolarHBondContact O-N 3.01Å; S397-S400 PolarHBondContact O-N 3.23Å; S397-S400 PolarHBondContact O-OG 2.93Å
398	M	31	Very low	49	Very low	180 Å²	180	106.3 Å²	106.3	89%	0.887	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-1.6	-174.5	-150.9	156.7	111.1	0	0	114.8	S400	M398-S400 VanDerWaalsContact C-N 3.32Å
399	E	35.6	Very low	51.9	Low	151 Å²	151	102.4 Å²	102.4	71%	0.706	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-7.1	174.6	-73.7	-155.5	113.2	0	0	114.3	K369 S397	K369-E399 IonicContact NZ-OE1 3.92Å; K369-E399 PolarHBondContact NZ-OE1 3.16Å; S397-E399 PolarHBondContact O-N 3.01Å
400	S	38.2	Very low	54.7	Low	80 Å²	80	101.8 Å²	101.8	56%	0.559	55%	0.545	S	S	*	.	S	Bend	trans	-90.5	-9.4	-157.1	61.8	0	0	0	0	117.7	S397 M398 T639	S397-S400 PolarHBondContact O-N 3.23Å; S397-S400 PolarHBondContact O-OG 2.93Å; M398-S400 VanDerWaalsContact C-N 3.32Å; S400-T639 VanDerWaalsContact O-CG2 3.23Å; S400-T639 WeakPolarHBondContact O-CG2 3.34Å
401	C	49.1	Very low	57.4	Low	70 Å²	70	94.1 Å²	94.1	47%	0.473	51%	0.51	S	S	.	.			trans	-155.2	66.5	178.6	-88.7	0	0	0	0	112.4
402	T	69.5	Low	60	Low	40 Å²	40	91.2 Å²	91.2	25%	0.245	50%	0.499	C	S	.	.			trans	-95.1	135.2	169.5	52.9	0	0	0	0	110	L368 Y616	L368-T402 HydrophobicContact CB-CG2 4.35Å; T402-Y616 PolarHBondContact O-OH 2.83Å
403	F	79.5	Confident	62.6	Low	41 Å²	41	86.2 Å²	86.2	18%	0.18	49%	0.487	C	S	.	.			trans	-111.3	153.5	173.8	-70.9	-78.2	0	0	0	109.2	L368 Y616 T634 N636 E641 A643 L645	L368-F403 WeakPolarHBondContact CD1-O 3.43Å; F403-Y616 HydrophobicContact CD1-CD1 4.47Å; F403-Y616 HydrophobicContact CD1-CE1 4.3Å; F403-T634 HydrophobicContact CB-CG2 4.1Å; F403-T634 HydrophobicContact CD1-CG2 3.29Å; F403-T634 HydrophobicContact CE1-CG2 3.9Å; F403-T634 HydrophobicContact CG-CG2 3.92Å; F403-N636 HydrophobicContact CD1-CB 4.29Å; F403-N636 HydrophobicContact CE1-CB 3.76Å; F403-N636 HydrophobicContact CZ-CB 4.48Å; F403-E641 HydrophobicContact CZ-CB 3.99Å; F403-A643 HydrophobicContact CD1-CB 4.01Å; F403-A643 HydrophobicContact CD2-CB 3.65Å; F403-A643 HydrophobicContact CE1-CB 3.76Å; F403-A643 HydrophobicContact CE2-CB 3.41Å; F403-A643 VanDerWaalsContact CE2-CB 3.41Å; F403-A643 HydrophobicContact CG-CB 3.94Å; F403-A643 HydrophobicContact CZ-CB 3.45Å; F403-A643 VanDerWaalsContact CZ-CB 3.45Å; F403-L645 HydrophobicContact CB-CD2 4.2Å
404	P	84.8	Confident	65.5	Low	2 Å²	2	80.8 Å²	80.8	1%	0.013	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-66.3	146.1	-179.8	25.6	-34.3	0	0	0	112.1	I365 F366 W613 Y616 F618 L645	I365-P404 HydrophobicContact CG2-CB 3.82Å; F366-P404 WeakPolarHBondContact O-CA 3.28Å; P404-W613 HydrophobicContact CB-CZ3 3.92Å; P404-W613 HydrophobicContact CG-CZ3 4.4Å; P404-Y616 VanDerWaalsContact CD-CD1 3.47Å; P404-Y616 HydrophobicContact CG-CD1 4.15Å; P404-Y616 HydrophobicContact CG-CD2 4.34Å; P404-Y616 HydrophobicContact CG-CG 4.03Å; P404-F618 HydrophobicContact CB-CE1 4.47Å; P404-F618 HydrophobicContact CB-CZ 4.15Å; P404-F618 HydrophobicContact CG-CE1 3.61Å; P404-F618 HydrophobicContact CG-CZ 3.52Å; P404-L645 WeakPolarHBondContact O-CD2 3.39Å
405	Y	84.9	Confident	68.1	Low	56 Å²	56	78.1 Å²	78.1	22%	0.22	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.6	171.7	179.2	-92.3	0	0	0	110	F366 K407	F366-Y405 HydrophobicContact CD2-CD1 4.32Å; F366-Y405 PolarHBondContact N-O 2.87Å; F366-Y405 PolarHBondContact O-N 2.91Å; Y405-K407 HydrophobicContact CE1-CB 4.08Å
406	L	90.3	Very high	71.1	Confident	1 Å²	1	77.7 Å²	77.7	1%	0.005	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.9	176.4	-61	-178.3	0	0	0	110.1	L344 Y363 I365 F618 I632 L645 Q647	L344-L406 HydrophobicContact CD2-CD1 4.12Å; L344-L406 HydrophobicContact CD2-CD2 4.41Å; Y363-L406 HydrophobicContact CD1-CB 3.93Å; Y363-L406 HydrophobicContact CG-CB 4.18Å; Y363-L406 HydrophobicContact CG-CD1 4.43Å; I365-L406 HydrophobicContact CB-CD2 4.19Å; I365-L406 HydrophobicContact CG1-CD2 3.71Å; I365-L406 HydrophobicContact CG2-CD2 4.11Å; L406-F618 HydrophobicContact CD1-CE1 4.48Å; L406-F618 HydrophobicContact CD2-CE1 4.18Å; L406-F618 HydrophobicContact CD2-CZ 4.35Å; L406-I632 HydrophobicContact CD1-CD1 3.73Å; L406-I632 HydrophobicContact CD1-CG2 4.32Å; L406-L645 HydrophobicContact CD1-CD1 3.66Å; L406-L645 HydrophobicContact CG-CD1 3.94Å; L406-Q647 HydrophobicContact CB-CB 4.1Å; L406-Q647 HydrophobicContact CB-CG 3.85Å; L406-Q647 VanDerWaalsContact O-CD 3.27Å; L406-Q647 WeakPolarHBondContact O-CG 3.32Å; L406-Q647 PolarHBondContact O-NE2 2.61Å
407	K	88.4	Confident	74.1	Confident	115 Å²	115	70 Å²	70	50%	0.5	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.7	170.4	-169	178.8	177.8	176.8	0	108.8	Y363 K364 F366 Y405 I409	Y363-K407 CarbonylContact C-O 3.49Å; Y363-K407 VanDerWaalsContact CA-O 3.27Å; Y363-K407 WeakPolarHBondContact CA-O 3.46Å; K364-K407 PolarHBondContact N-O 3.05Å; K364-K407 PolarHBondContact O-N 3.49Å; F366-K407 HydrophobicContact CD2-CB 4.14Å; F366-K407 HydrophobicContact CE2-CB 3.58Å; F366-K407 HydrophobicContact CE2-CD 4.12Å; F366-K407 HydrophobicContact CZ-CD 4.4Å; Y405-K407 HydrophobicContact CE1-CB 4.08Å; K407-I409 PolarHBondContact O-N 3.02Å
408	Q	89.4	Confident	77.1	Confident	114 Å²	114	69.6 Å²	69.6	53%	0.533	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	135.4	175.9	-170	173.9	-13.2	0	0	110.3	C362 Y363	C362-Q408 WeakPolarHBondContact O-CA 3.17Å; Y363-Q408 HydrophobicContact CD1-CB 4.04Å; Y363-Q408 HydrophobicContact CE1-CB 4.01Å; Y363-Q408 HydrophobicContact CE1-CG 4.34Å
409	I	90.6	Very high	79.8	Confident	39 Å²	39	63.1 Å²	63.1	20%	0.2	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	165.2	177.8	61.7	170.4	0	0	0	109.8	A343 C362 K364 K407 L411 L663	A343-I409 HydrophobicContact CB-CD1 4.09Å; C362-I409 HydrophobicContact CB-CD1 4.28Å; C362-I409 HydrophobicContact CB-CG1 3.65Å; C362-I409 PolarHBondContact O-N 3.49Å; K364-I409 HydrophobicContact CB-CD1 4.28Å; K364-I409 HydrophobicContact CB-CG2 3.82Å; K407-I409 PolarHBondContact O-N 3.02Å; I409-L411 HydrophobicContact CD1-CD2 4.3Å; I409-L411 HydrophobicContact CD1-CG 4.36Å; I409-L663 HydrophobicContact CD1-CD1 3.78Å
410	I	87.1	Confident	82.5	Confident	137 Å²	137	60.2 Å²	60.2	70%	0.703	33%	0.331	S	S	*	.			trans	-120	125	173.8	-59.2	173.5	0	0	0	106.8
411	L	85.3	Confident	85	Confident	21 Å²	21	56.7 Å²	56.7	11%	0.11	31%	0.306	C	S	.	.			trans	-98.5	141.2	173.6	-70.1	176.1	0	0	0	109.7	I345 I409 N413 L414 L663	I345-L411 HydrophobicContact CD1-CD1 3.94Å; I409-L411 HydrophobicContact CD1-CD2 4.3Å; I409-L411 HydrophobicContact CD1-CG 4.36Å; L411-N413 PolarHBondContact O-N 3.25Å; L411-L414 HydrophobicContact CB-CB 3.86Å; L411-L414 HydrophobicContact CB-CD2 4.07Å; L411-L414 HydrophobicContact CD1-CD2 3.71Å; L411-L414 PolarHBondContact O-N 2.8Å; L411-L414 VanDerWaalsContact O-N 3.12Å; L411-L663 HydrophobicContact CD1-CD2 4.28Å; L411-L663 HydrophobicContact CD2-CD2 3.81Å
412	P	82.3	Confident	87	Confident	82 Å²	82	56 Å²	56	53%	0.532	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	126	-176.5	-25.2	34.1	0	0	0	112.2	L414 Y450	P412-L414 PolarHBondContact O-N 3.03Å; P412-Y450 WeakPolarHBondContact O-CE2 3.39Å; P412-Y450 PolarHBondContact O-OH 2.7Å
413	N	84.1	Confident	88.1	Confident	104 Å²	104	54.4 Å²	54.4	56%	0.556	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	19.2	-179.4	-49.7	-50.2	0	0	0	115.7	L411 G455 W457	L411-N413 PolarHBondContact O-N 3.25Å; N413-G455 WeakPolarHBondContact CB-O 3.41Å; N413-G455 PolarHBondContact ND2-O 3.07Å; N413-W457 PolarHBondContact O-NE1 2.67Å
414	L	88.2	Confident	88.8	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	28%	0.281	C	S	.	.			trans	-112	50.5	176.6	-163.5	69.9	0	0	0	111.6	I345 I360 L411 P412 I433 Y450 W457	I345-L414 HydrophobicContact CD1-CD2 4.02Å; I345-L414 HydrophobicContact CG2-CD2 4.31Å; I360-L414 HydrophobicContact CD1-CD1 3.77Å; I360-L414 HydrophobicContact CD1-CG 4.1Å; I360-L414 HydrophobicContact CG2-CD2 4.44Å; I360-L414 HydrophobicContact CG2-CG 4.1Å; L411-L414 HydrophobicContact CB-CB 3.86Å; L411-L414 HydrophobicContact CB-CD2 4.07Å; L411-L414 HydrophobicContact CD1-CD2 3.71Å; L411-L414 PolarHBondContact O-N 2.8Å; L411-L414 VanDerWaalsContact O-N 3.12Å; P412-L414 PolarHBondContact O-N 3.03Å; L414-I433 HydrophobicContact CD2-CD1 4.14Å; L414-Y450 HydrophobicContact CB-CE1 4.23Å; L414-Y450 HydrophobicContact CB-CE2 3.95Å; L414-Y450 HydrophobicContact CD1-CD1 3.84Å; L414-Y450 HydrophobicContact CD1-CD2 3.78Å; L414-Y450 HydrophobicContact CD1-CE1 3.96Å; L414-Y450 HydrophobicContact CD1-CE2 3.92Å; L414-Y450 HydrophobicContact CD1-CG 3.72Å; L414-Y450 HydrophobicContact CD2-CD1 4.34Å; L414-Y450 HydrophobicContact CD2-CE1 3.92Å; L414-Y450 HydrophobicContact CG-CE1 4.25Å; L414-Y450 HydrophobicContact CG-CE2 4.46Å; L414-W457 HydrophobicContact CD1-CH2 4.46Å; L414-W457 HydrophobicContact CD1-CZ2 3.57Å
415	N	84.4	Confident	89.3	Confident	88 Å²	88	53.4 Å²	53.4	47%	0.471	28%	0.283	S	S	.	.	S	Bend	trans	-101	-30.2	179.6	-61.3	-11.8	0	0	0	111.7	I360	I360-N415 PolarHBondContact N-O 3.41Å
416	T	91.8	Very high	89.8	Confident	73 Å²	73	51 Å²	51	45%	0.448	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-140.2	148.4	-176.8	53.9	0	0	0	0	111.2	S358	S358-T416 CarbonylContact O-C 3.54Å; S358-T416 VanDerWaalsContact O-CA 3.28Å; S358-T416 WeakPolarHBondContact O-CA 3.3Å
417	M	92.2	Very high	90.1	Very high	7 Å²	7	51.5 Å²	51.5	3%	0.034	28%	0.277	C	S	.	.			trans	-68.1	147.6	170.7	-65.2	-168.7	-70	0	0	110.7	F347 S357 S358 I360 S419 R421 F424 L435	F347-M417 HydrophobicContact CB-SD 4.39Å; F347-M417 HydrophobicContact CD1-CG 4.3Å; S357-M417 WeakPolarHBondContact O-CE 3.36Å; S358-M417 PolarHBondContact O-N 2.89Å; I360-M417 HydrophobicContact CD1-CG 4.11Å; I360-M417 HydrophobicContact CG1-CG 4.09Å; M417-S419 PolarHBondContact O-N 2.82Å; M417-R421 HydrophobicContact CE-CG 4.49Å; M417-F424 HydrophobicContact CE-CD1 4.49Å; M417-F424 HydrophobicContact CE-CE1 3.73Å; M417-F424 HydrophobicContact CE-CZ 3.8Å; M417-F424 HydrophobicContact SD-CD2 4.4Å; M417-F424 HydrophobicContact SD-CE1 3.98Å; M417-F424 HydrophobicContact SD-CE2 3.83Å; M417-F424 HydrophobicContact SD-CZ 3.58Å; M417-F424 VanDerWaalsContact SD-CZ 3.58Å; M417-L435 HydrophobicContact CB-CD2 3.97Å; M417-L435 HydrophobicContact CG-CD2 4Å; M417-L435 HydrophobicContact SD-CD1 3.88Å; M417-L435 HydrophobicContact SD-CD2 3.93Å
418	P	91.7	Very high	90.3	Very high	60 Å²	60	47.3 Å²	47.3	39%	0.39	26%	0.26	S	S	.	.	S	Bend	trans	-57.7	-23.4	177.9	-28.4	36	0	0	0	115	N448 W457	P418-N448 HydrophobicContact CG-CB 3.94Å; P418-W457 HydrophobicContact CG-CB 4.5Å; P418-W457 HydrophobicContact CG-CD2 3.54Å; P418-W457 HydrophobicContact CG-CE3 3.66Å; P418-W457 HydrophobicContact CG-CG 3.94Å; P418-W457 HydrophobicContact CG-CH2 4.44Å; P418-W457 HydrophobicContact CG-CZ2 4.34Å; P418-W457 HydrophobicContact CG-CZ3 4.13Å
419	S	89.6	Confident	90.5	Very high	43 Å²	43	42.5 Å²	42.5	30%	0.301	24%	0.238	S	C	.	.	S	Bend	trans	-153.5	155.3	168.4	77.8	0	0	0	0	112.4	M417 R421	M417-S419 PolarHBondContact O-N 2.82Å; S419-R421 PolarHBondContact O-N 3.36Å; S419-R421 PolarHBondContact O-NE 2.87Å; S419-R421 PolarHBondContact OG-NE 3.4Å; S419-R421 PolarHBondContact OG-NH2 3.09Å
420	L	91	Very high	90.4	Very high	90 Å²	90	46 Å²	46	47%	0.471	26%	0.257	S	S	.	.			trans	-72.5	121.9	176.2	-173.3	68.3	0	0	0	111.1	F356 P440	F356-L420 HydrophobicContact CB-CD1 3.92Å; F356-L420 HydrophobicContact CB-CG 4.37Å; F356-L420 WeakPolarHBondContact O-CD1 3.44Å; L420-P440 WeakPolarHBondContact O-CB 3.2Å
421	R	91.7	Very high	90.3	Very high	7 Å²	7	42.4 Å²	42.4	3%	0.026	24%	0.239	C	C	.	.			trans	-155.5	155.8	-175.7	59.7	-173.5	82.2	-168.8	13.2	111.6	M417 S419 F424 G437 P440 M444 T446 N448	M417-R421 HydrophobicContact CE-CG 4.49Å; S419-R421 PolarHBondContact O-N 3.36Å; S419-R421 PolarHBondContact O-NE 2.87Å; S419-R421 PolarHBondContact OG-NE 3.4Å; S419-R421 PolarHBondContact OG-NH2 3.09Å; R421-F424 HydrophobicContact CG-CB 4.05Å; R421-F424 HydrophobicContact CG-CD1 3.71Å; R421-F424 HydrophobicContact CG-CE1 4.46Å; R421-F424 HydrophobicContact CG-CG 4.06Å; R421-F424 WeakPolarHBondContact O-CD1 3.29Å; R421-F424 WeakPolarHBondContact O-CE1 3.32Å; R421-G437 VanDerWaalsContact CD-O 3.28Å; R421-G437 WeakPolarHBondContact CD-O 3.38Å; R421-G437 PolarHBondContact NH1-O 2.91Å; R421-G437 VanDerWaalsContact NH1-O 3.09Å; R421-P440 HydrophobicContact CB-CG 4.4Å; R421-M444 HydrophobicContact CB-CE 4.09Å; R421-M444 VanDerWaalsContact CZ-SD 3.6Å; R421-M444 PolarHBondContact NH1-SD 3.16Å; R421-T446 PolarHBondContact NH1-OG1 3.43Å; R421-N448 PolarHBondContact NH2-OD1 3.42Å
422	K	91	Very high	90.6	Very high	55 Å²	55	45.3 Å²	45.3	24%	0.239	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-120.9	158.7	173.9	77.7	-160.5	171.9	-177.7	0	111.6	F356 F424 G438 K439 W469	F356-K422 HydrophobicContact CD1-CB 3.62Å; F356-K422 HydrophobicContact CD1-CD 4.41Å; F356-K422 HydrophobicContact CD2-CB 4.46Å; F356-K422 HydrophobicContact CD2-CD 4.28Å; F356-K422 HydrophobicContact CE1-CB 3.5Å; F356-K422 HydrophobicContact CE1-CD 3.65Å; F356-K422 HydrophobicContact CE1-CG 4.19Å; F356-K422 HydrophobicContact CE2-CB 4.38Å; F356-K422 HydrophobicContact CE2-CD 3.51Å; F356-K422 HydrophobicContact CG-CB 4.13Å; F356-K422 HydrophobicContact CZ-CB 3.94Å; F356-K422 HydrophobicContact CZ-CD 3.16Å; F356-K422 HydrophobicContact CZ-CG 4.16Å; K422-F424 PolarHBondContact O-N 3.36Å; K422-G438 CarbonylContact O-C 3.51Å; K422-G438 WeakPolarHBondContact O-CA 3.5Å; K422-K439 HydrophobicContact CG-CB 4.26Å; K422-K439 WeakPolarHBondContact CG-O 3.38Å; K422-K439 PolarHBondContact N-O 2.92Å; K422-K439 PolarHBondContact O-N 3.23Å; K422-W469 HydrophobicContact CD-CZ2 3.94Å; K422-W469 HydrophobicContact CG-CH2 4.43Å; K422-W469 HydrophobicContact CG-CZ2 3.84Å
423	G	92.1	Very high	91.2	Very high	6 Å²	6	41.4 Å²	41.4	6%	0.062	23%	0.226	C	C	.	.	S	Bend	trans	57.4	33.7	178.2	0	0	0	0	0	113	S468 W469	G423-S468 CarbonylContact O-C 3.56Å; G423-S468 WeakPolarHBondContact O-CA 3.33Å; G423-W469 PolarHBondContact O-N 3.11Å
424	F	94.8	Very high	91.8	Very high	17 Å²	17	37 Å²	37	8%	0.075	20%	0.201	C	C	.	.			trans	-87.8	164.1	175.7	59.6	-92	0	0	0	110.2	F347 M417 R421 K422 L435 C657	F347-F424 HydrophobicContact CB-CE2 3.77Å; F347-F424 HydrophobicContact CB-CZ 3.96Å; M417-F424 HydrophobicContact CE-CD1 4.49Å; M417-F424 HydrophobicContact CE-CE1 3.73Å; M417-F424 HydrophobicContact CE-CZ 3.8Å; M417-F424 HydrophobicContact SD-CD2 4.4Å; M417-F424 HydrophobicContact SD-CE1 3.98Å; M417-F424 HydrophobicContact SD-CE2 3.83Å; M417-F424 HydrophobicContact SD-CZ 3.58Å; M417-F424 VanDerWaalsContact SD-CZ 3.58Å; R421-F424 HydrophobicContact CG-CB 4.05Å; R421-F424 HydrophobicContact CG-CD1 3.71Å; R421-F424 HydrophobicContact CG-CE1 4.46Å; R421-F424 HydrophobicContact CG-CG 4.06Å; R421-F424 WeakPolarHBondContact O-CD1 3.29Å; R421-F424 WeakPolarHBondContact O-CE1 3.32Å; K422-F424 PolarHBondContact O-N 3.36Å; F424-L435 HydrophobicContact CD2-CD1 3.4Å; F424-L435 HydrophobicContact CE2-CD1 3.77Å; F424-L435 HydrophobicContact CG-CD1 4.18Å; F424-C657 HydrophobicContact CE2-CB 3.91Å
425	G	94.8	Very high	92.2	Very high	6 Å²	6	36.9 Å²	36.9	6%	0.062	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	144.3	169.5	0	0	0	0	0	111.4	V436 Y470	G425-V436 PolarHBondContact N-O 3.47Å; G425-V436 PolarHBondContact O-N 3.25Å; G425-Y470 PolarHBondContact N-OH 2.92Å
426	A	95.8	Very high	92.8	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.033	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138	166.4	0	0	0	0	0	109.8	F347 Y434 L435 C657 I659	F347-A426 HydrophobicContact CD2-CB 4.02Å; F347-A426 HydrophobicContact CE2-CB 4.2Å; F347-A426 HydrophobicContact CG-CB 4.3Å; A426-Y434 CarbonylContact C-O 3.57Å; A426-Y434 VanDerWaalsContact CA-O 3.23Å; A426-Y434 WeakPolarHBondContact CA-O 3.28Å; A426-L435 HydrophobicContact CB-CD1 4.21Å; A426-C657 HydrophobicContact CB-CB 4.36Å; A426-C657 PolarHBondContact N-SG 2.86Å; A426-I659 HydrophobicContact CB-CG2 4.26Å; A426-I659 WeakPolarHBondContact O-CG2 3.37Å
427	I	95.3	Very high	93	Very high	12 Å²	12	29.2 Å²	29.2	6%	0.062	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	145.5	177.6	-164	65.9	0	0	0	109.7	I433 Y434 L472 E474 I479	I427-I433 CarbonylContact O-C 3.41Å; I427-I433 WeakPolarHBondContact O-CA 3.37Å; I427-Y434 PolarHBondContact N-O 3.24Å; I427-Y434 PolarHBondContact O-N 2.71Å; I427-L472 HydrophobicContact CB-CD2 3.9Å; I427-L472 HydrophobicContact CB-CG 4.24Å; I427-L472 HydrophobicContact CG2-CD2 3.6Å; I427-L472 HydrophobicContact CG2-CG 4.05Å; I427-E474 HydrophobicContact CD1-CB 4.16Å; I427-E474 HydrophobicContact CG1-CB 3.86Å; I427-I479 HydrophobicContact CG2-CD1 3.76Å; I427-I479 HydrophobicContact CG2-CG1 4.04Å; I427-I479 HydrophobicContact CG2-CG2 3.89Å
428	N	94.2	Very high	93.1	Very high	28 Å²	28	28.9 Å²	28.9	15%	0.15	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	131	171.4	-178.4	29.7	0	0	0	109.4	K432 I659 T660 T661	N428-K432 PolarHBondContact OD1-O 2.9Å; N428-I659 HydrophobicContact CB-CD1 4.25Å; N428-T660 WeakPolarHBondContact CB-O 3.33Å; N428-T660 PolarHBondContact ND2-O 2.86Å; N428-T661 VanDerWaalsContact ND2-CA 3.28Å; N428-T661 WeakPolarHBondContact ND2-CA 3.28Å; N428-T661 WeakPolarHBondContact ND2-CB 3.29Å; N428-T661 PolarHBondContact ND2-OG1 3.07Å
429	L	92.4	Very high	93.1	Very high	12 Å²	12	27.7 Å²	27.7	6%	0.063	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	124.1	173.3	176.1	61.1	0	0	0	109.2	D431 K432 Y434 E474 G477 I479 P500	L429-D431 PolarHBondContact O-N 3.49Å; L429-K432 PolarHBondContact N-O 2.89Å; L429-K432 WeakPolarHBondContact O-CB 3.5Å; L429-K432 PolarHBondContact O-N 3.1Å; L429-Y434 HydrophobicContact CB-CE2 4.16Å; L429-E474 HydrophobicContact CD1-CG 4.01Å; L429-G477 WeakPolarHBondContact CD2-O 3.39Å; L429-I479 HydrophobicContact CB-CD1 4.36Å; L429-I479 HydrophobicContact CD2-CD1 3.87Å; L429-I479 HydrophobicContact CD2-CG1 3.62Å; L429-P500 HydrophobicContact CD2-CG 3.87Å
430	N	88.1	Confident	93.2	Very high	114 Å²	114	28.8 Å²	28.8	61%	0.61	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	53.5	178.6	-56.4	-21	0	0	0	113.1	K432	N430-K432 PolarHBondContact O-N 2.91Å
431	D	86.1	Confident	93.1	Very high	61 Å²	61	33.7 Å²	33.7	33%	0.326	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	22.1	-179.3	-55.7	-42.4	0	0	0	115.1	L429 I452	L429-D431 PolarHBondContact O-N 3.49Å; D431-I452 WeakPolarHBondContact O-CB 3.18Å; D431-I452 VanDerWaalsContact O-CG1 3.28Å; D431-I452 WeakPolarHBondContact O-CG1 3.29Å; D431-I452 PolarHBondContact O-N 3.48Å; D431-I452 VanDerWaalsContact O-N 3.09Å
432	K	91.9	Very high	93.2	Very high	82 Å²	82	37.2 Å²	37.2	36%	0.357	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.3	175.9	-69.2	179.9	-177.8	-178.8	0	110	N428 L429 N430 Y434 I449 Y450 D451	N428-K432 PolarHBondContact OD1-O 2.9Å; L429-K432 PolarHBondContact N-O 2.89Å; L429-K432 WeakPolarHBondContact O-CB 3.5Å; L429-K432 PolarHBondContact O-N 3.1Å; N430-K432 PolarHBondContact O-N 2.91Å; K432-Y434 HydrophobicContact CB-CD2 4.44Å; K432-Y434 HydrophobicContact CB-CE2 3.77Å; K432-Y434 WeakPolarHBondContact O-CD2 3.44Å; K432-I449 HydrophobicContact CB-CG2 3.83Å; K432-I449 HydrophobicContact CD-CG2 4.12Å; K432-I449 HydrophobicContact CG-CG2 4.2Å; K432-Y450 CarbonylContact C-O 3.51Å; K432-Y450 WeakPolarHBondContact CA-O 2.9Å; K432-D451 VanDerWaalsContact CE-OD2 3.29Å; K432-D451 WeakPolarHBondContact CE-OD2 3.45Å
433	I	94.9	Very high	93.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	115.9	176.6	-57	169.5	0	0	0	108.5	I345 F347 L414 I427 I449 Y450 I452 I659	I345-I433 HydrophobicContact CD1-CD1 3.69Å; F347-I433 HydrophobicContact CE1-CG2 4.28Å; F347-I433 HydrophobicContact CZ-CD1 4.38Å; F347-I433 HydrophobicContact CZ-CG2 3.74Å; L414-I433 HydrophobicContact CD2-CD1 4.14Å; I427-I433 CarbonylContact O-C 3.41Å; I427-I433 WeakPolarHBondContact O-CA 3.37Å; I433-I449 CarbonylContact O-C 3.49Å; I433-I449 WeakPolarHBondContact O-CA 3.42Å; I433-Y450 HydrophobicContact CD1-CD1 3.9Å; I433-Y450 HydrophobicContact CD1-CE1 4.49Å; I433-Y450 HydrophobicContact CG1-CD1 4.44Å; I433-Y450 PolarHBondContact N-O 3.11Å; I433-Y450 PolarHBondContact O-N 3.06Å; I433-I452 HydrophobicContact CD1-CD1 4.12Å; I433-I452 HydrophobicContact CD1-CG1 4.1Å; I433-I452 HydrophobicContact CG1-CD1 4.01Å; I433-I452 HydrophobicContact CG1-CG1 4.16Å; I433-I659 HydrophobicContact CB-CD1 4.21Å; I433-I659 HydrophobicContact CD1-CD1 3.83Å; I433-I659 HydrophobicContact CG1-CD1 3.72Å; I433-I659 HydrophobicContact CG2-CD1 3.52Å
434	Y	96	Very high	93.7	Very high	10 Å²	10	35.6 Å²	35.6	4%	0.039	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	118	176.4	-63.7	-106.9	0	0	0	109	A426 I427 L429 K432 I449 I479 L498	A426-Y434 CarbonylContact C-O 3.57Å; A426-Y434 VanDerWaalsContact CA-O 3.23Å; A426-Y434 WeakPolarHBondContact CA-O 3.28Å; I427-Y434 PolarHBondContact N-O 3.24Å; I427-Y434 PolarHBondContact O-N 2.71Å; L429-Y434 HydrophobicContact CB-CE2 4.16Å; K432-Y434 HydrophobicContact CB-CD2 4.44Å; K432-Y434 HydrophobicContact CB-CE2 3.77Å; K432-Y434 WeakPolarHBondContact O-CD2 3.44Å; Y434-I449 HydrophobicContact CD1-CD1 3.84Å; Y434-I449 HydrophobicContact CD1-CG1 3.67Å; Y434-I449 HydrophobicContact CE1-CD1 3.42Å; Y434-I449 VanDerWaalsContact CE1-CD1 3.42Å; Y434-I449 HydrophobicContact CE1-CG1 3.77Å; Y434-I449 HydrophobicContact CG-CG1 4.36Å; Y434-I479 HydrophobicContact CD1-CD1 3.86Å; Y434-I479 HydrophobicContact CD2-CD1 3.57Å; Y434-I479 HydrophobicContact CE1-CD1 4.09Å; Y434-I479 HydrophobicContact CE2-CD1 3.84Å; Y434-I479 HydrophobicContact CG-CD1 3.61Å; Y434-L498 HydrophobicContact CD1-CD2 4.12Å; Y434-L498 HydrophobicContact CE1-CD2 3.94Å
435	L	95.9	Very high	93.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	110.8	170.8	-178.4	73.8	0	0	0	108.7	M417 F424 A426 C447 N448 W457	M417-L435 HydrophobicContact CB-CD2 3.97Å; M417-L435 HydrophobicContact CG-CD2 4Å; M417-L435 HydrophobicContact SD-CD1 3.88Å; M417-L435 HydrophobicContact SD-CD2 3.93Å; F424-L435 HydrophobicContact CD2-CD1 3.4Å; F424-L435 HydrophobicContact CE2-CD1 3.77Å; F424-L435 HydrophobicContact CG-CD1 4.18Å; A426-L435 HydrophobicContact CB-CD1 4.21Å; L435-C447 WeakPolarHBondContact O-CA 3.38Å; L435-N448 HydrophobicContact CB-CB 4.42Å; L435-N448 PolarHBondContact N-O 2.87Å; L435-N448 PolarHBondContact O-N 3.33Å; L435-W457 HydrophobicContact CB-CH2 4.07Å; L435-W457 HydrophobicContact CB-CZ3 3.99Å; L435-W457 HydrophobicContact CD2-CH2 4.37Å
436	V	96.9	Very high	93.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	142.7	-166.4	-170.3	0	0	0	0	110.6	G425 C447 L463 Y470 L472 W505	G425-V436 PolarHBondContact N-O 3.47Å; G425-V436 PolarHBondContact O-N 3.25Å; V436-C447 HydrophobicContact CG2-CB 4.36Å; V436-L463 HydrophobicContact CG1-CD1 3.67Å; V436-L463 HydrophobicContact CG1-CD2 4.15Å; V436-L463 HydrophobicContact CG1-CG 3.8Å; V436-Y470 VanDerWaalsContact CB-OH 3.26Å; V436-Y470 WeakPolarHBondContact CB-OH 3.41Å; V436-Y470 WeakPolarHBondContact CG1-OH 3.21Å; V436-Y470 PolarHBondContact O-OH 3.44Å; V436-L472 HydrophobicContact CB-CD1 4.4Å; V436-L472 HydrophobicContact CB-CD2 4.1Å; V436-L472 HydrophobicContact CG2-CD1 4.42Å; V436-L472 HydrophobicContact CG2-CD2 3.88Å; V436-W505 HydrophobicContact CG1-CH2 4.42Å; V436-W505 HydrophobicContact CG1-CZ2 3.91Å; V436-W505 HydrophobicContact CG2-CZ2 4.18Å
437	G	96.3	Very high	93.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.			trans	62.3	-149.4	169.1	0	0	0	0	0	114.3	R421 M444 T446	R421-G437 VanDerWaalsContact CD-O 3.28Å; R421-G437 WeakPolarHBondContact CD-O 3.38Å; R421-G437 PolarHBondContact NH1-O 2.91Å; R421-G437 VanDerWaalsContact NH1-O 3.09Å; G437-M444 VanDerWaalsContact C-CG 3.49Å; G437-M444 WeakPolarHBondContact CA-O 3.02Å; G437-M444 WeakPolarHBondContact O-CG 3.43Å; G437-T446 PolarHBondContact N-O 3.4Å
438	G	94.8	Very high	93.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.			trans	100.9	-177.1	-177.4	0	0	0	0	0	113.7	K422 S443 M444 R467	K422-G438 CarbonylContact O-C 3.51Å; K422-G438 WeakPolarHBondContact O-CA 3.5Å; G438-S443 CarbonylContact O-C 3.56Å; G438-S443 WeakPolarHBondContact O-CA 3.38Å; G438-M444 WeakPolarHBondContact O-CG 3.46Å; G438-M444 PolarHBondContact O-N 3.15Å; G438-R467 PolarHBondContact N-O 2.88Å
439	K	92.6	Very high	94	Very high	34 Å²	34	40.3 Å²	40.3	15%	0.148	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-138.3	100.4	-175.6	-178.9	161.9	-173	173.7	0	112.2	K422 K441 C442 D489	K422-K439 HydrophobicContact CG-CB 4.26Å; K422-K439 WeakPolarHBondContact CG-O 3.38Å; K422-K439 PolarHBondContact N-O 2.92Å; K422-K439 PolarHBondContact O-N 3.23Å; K439-K441 WeakPolarHBondContact CE-O 3.39Å; K439-K441 WeakPolarHBondContact CG-O 3.29Å; K439-C442 WeakPolarHBondContact CA-O 3.48Å; K439-D489 IonicContact NZ-OD1 2.61Å; K439-D489 PolarHBondContact NZ-OD1 3.35Å; K439-D489 IonicContact NZ-OD2 3.92Å
440	P	90.2	Very high	94.1	Very high	66 Å²	66	39.8 Å²	39.8	43%	0.429	20%	0.204	S	C	.	.	S	Bend	trans	-72.7	-53.9	167.5	-12.9	29.7	0	0	0	109.1	L420 R421 C442 M444	L420-P440 WeakPolarHBondContact O-CB 3.2Å; R421-P440 HydrophobicContact CB-CG 4.4Å; P440-C442 VanDerWaalsContact CD-O 3.32Å; P440-C442 WeakPolarHBondContact CD-O 3.36Å; P440-M444 HydrophobicContact CB-CE 4.47Å; P440-M444 HydrophobicContact CG-CE 2.97Å
441	K	90.1	Very high	94.2	Very high	194 Å²	194	35.6 Å²	35.6	84%	0.843	18%	0.182	S	C	*	.	S	Bend	trans	-126.4	-55	172.3	-66.9	-175.2	-179.1	179.9	0	110.5	K439	K439-K441 WeakPolarHBondContact CE-O 3.39Å; K439-K441 WeakPolarHBondContact CG-O 3.29Å
442	C	93.7	Very high	94.3	Very high	80 Å²	80	33.7 Å²	33.7	54%	0.541	17%	0.171	S	C	.	.	S	Bend	trans	-108.9	158.6	170.9	54.9	0	0	0	0	111	K439 P440	K439-C442 WeakPolarHBondContact CA-O 3.48Å; P440-C442 VanDerWaalsContact CD-O 3.32Å; P440-C442 WeakPolarHBondContact CD-O 3.36Å
443	S	96.2	Very high	94	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.014	18%	0.181	C	C	.	.			trans	-59.4	137.1	172.7	-57.4	0	0	0	0	109.6	G438 S468 V485 G486 E487	G438-S443 CarbonylContact O-C 3.56Å; G438-S443 WeakPolarHBondContact O-CA 3.38Å; S443-S468 PolarHBondContact OG-OG 3.3Å; S443-V485 PolarHBondContact OG-O 3.01Å; S443-G486 VanDerWaalsContact CB-O 3.26Å; S443-G486 WeakPolarHBondContact CB-O 3.44Å; S443-G486 PolarHBondContact OG-O 3.36Å; S443-E487 VanDerWaalsContact O-CG 3.3Å; S443-E487 WeakPolarHBondContact O-CG 3.44Å
444	M	96.2	Very high	93.6	Very high	26 Å²	26	39.3 Å²	39.3	13%	0.128	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-118.6	159	-172.9	74.3	165.7	77.8	0	0	113.1	R421 G437 G438 P440 T446 G466 R467	R421-M444 HydrophobicContact CB-CE 4.09Å; R421-M444 VanDerWaalsContact CZ-SD 3.6Å; R421-M444 PolarHBondContact NH1-SD 3.16Å; G437-M444 VanDerWaalsContact C-CG 3.49Å; G437-M444 WeakPolarHBondContact CA-O 3.02Å; G437-M444 WeakPolarHBondContact O-CG 3.43Å; G438-M444 WeakPolarHBondContact O-CG 3.46Å; G438-M444 PolarHBondContact O-N 3.15Å; P440-M444 HydrophobicContact CB-CE 4.47Å; P440-M444 HydrophobicContact CG-CE 2.97Å; M444-T446 HydrophobicContact SD-CG2 4.02Å; M444-T446 PolarHBondContact SD-OG1 3.3Å; M444-G466 VanDerWaalsContact C-CA 3.43Å; M444-G466 VanDerWaalsContact O-CA 3.24Å; M444-G466 WeakPolarHBondContact O-CA 3.36Å; M444-R467 PolarHBondContact O-N 3.08Å; M444-R467 VanDerWaalsContact O-N 3.15Å
445	K	96.9	Very high	93.2	Very high	77 Å²	77	38.9 Å²	38.9	34%	0.335	21%	0.21	S	C	.	.			trans	-94.1	-13.7	179.1	-62.2	-179.1	-174.3	-159.1	0	114.4	N462 L463 N464 E487	K445-N462 HydrophobicContact CB-CB 4.18Å; K445-N462 CarbonylContact O-C 3.54Å; K445-N462 WeakPolarHBondContact O-CA 3.43Å; K445-L463 HydrophobicContact CB-CB 4.33Å; K445-L463 WeakPolarHBondContact CB-O 3.27Å; K445-L463 WeakPolarHBondContact CD-O 3.37Å; K445-L463 PolarHBondContact O-N 2.66Å; K445-N464 VanDerWaalsContact CE-O 3.29Å; K445-N464 WeakPolarHBondContact CE-O 3.34Å; K445-N464 PolarHBondContact NZ-O 3.13Å; K445-E487 VanDerWaalsContact CE-CD 3.4Å; K445-E487 WeakPolarHBondContact CE-OE1 3.01Å; K445-E487 WeakPolarHBondContact CE-OE2 3.47Å; K445-E487 IonicContact NZ-OE1 3.51Å
446	T	96.7	Very high	93	Very high	50 Å²	50	43.5 Å²	43.5	31%	0.307	23%	0.234	S	C	.	.			trans	-65.7	140	-163.8	70.6	0	0	0	0	112.4	R421 G437 M444 N462	R421-T446 PolarHBondContact NH1-OG1 3.43Å; G437-T446 PolarHBondContact N-O 3.4Å; M444-T446 HydrophobicContact SD-CG2 4.02Å; M444-T446 PolarHBondContact SD-OG1 3.3Å; T446-N462 WeakPolarHBondContact CA-OD1 3.32Å
447	C	96.6	Very high	92.8	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.014	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128	166.8	-179.9	0	0	0	0	109.3	L435 V436 G460 P461	L435-C447 WeakPolarHBondContact O-CA 3.38Å; V436-C447 HydrophobicContact CG2-CB 4.36Å; C447-G460 PolarHBondContact O-N 3.2Å; C447-P461 WeakPolarHBondContact CB-O 3.37Å
448	N	96	Very high	92.7	Very high	24 Å²	24	49.3 Å²	49.3	13%	0.128	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.8	170.2	-65.4	111.7	0	0	0	108.7	P418 R421 L435 W457 S458	P418-N448 HydrophobicContact CG-CB 3.94Å; R421-N448 PolarHBondContact NH2-OD1 3.42Å; L435-N448 HydrophobicContact CB-CB 4.42Å; L435-N448 PolarHBondContact N-O 2.87Å; L435-N448 PolarHBondContact O-N 3.33Å; N448-W457 HydrophobicContact CB-CE3 3.81Å; N448-W457 HydrophobicContact CB-CZ3 3.89Å; N448-S458 WeakPolarHBondContact CA-O 3.47Å
449	I	95.7	Very high	92.7	Very high	13 Å²	13	54.5 Å²	54.5	7%	0.067	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.4	-178.2	-56.4	174.7	0	0	0	108.3	K432 I433 Y434 W457 S458	K432-I449 HydrophobicContact CB-CG2 3.83Å; K432-I449 HydrophobicContact CD-CG2 4.12Å; K432-I449 HydrophobicContact CG-CG2 4.2Å; I433-I449 CarbonylContact O-C 3.49Å; I433-I449 WeakPolarHBondContact O-CA 3.42Å; Y434-I449 HydrophobicContact CD1-CD1 3.84Å; Y434-I449 HydrophobicContact CD1-CG1 3.67Å; Y434-I449 HydrophobicContact CE1-CD1 3.42Å; Y434-I449 VanDerWaalsContact CE1-CD1 3.42Å; Y434-I449 HydrophobicContact CE1-CG1 3.77Å; Y434-I449 HydrophobicContact CG-CG1 4.36Å; I449-W457 CarbonylContact O-C 3.55Å; I449-W457 WeakPolarHBondContact O-CA 3.49Å; I449-S458 PolarHBondContact N-O 2.8Å; I449-S458 PolarHBondContact O-N 3.43Å; I449-S458 PolarHBondContact O-OG 3.36Å
450	Y	94.7	Very high	92.8	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.5	169.9	176.8	-96.1	0	0	0	109.3	P412 L414 K432 I433 I452 G455 L456 W457	P412-Y450 WeakPolarHBondContact O-CE2 3.39Å; P412-Y450 PolarHBondContact O-OH 2.7Å; L414-Y450 HydrophobicContact CB-CE1 4.23Å; L414-Y450 HydrophobicContact CB-CE2 3.95Å; L414-Y450 HydrophobicContact CD1-CD1 3.84Å; L414-Y450 HydrophobicContact CD1-CD2 3.78Å; L414-Y450 HydrophobicContact CD1-CE1 3.96Å; L414-Y450 HydrophobicContact CD1-CE2 3.92Å; L414-Y450 HydrophobicContact CD1-CG 3.72Å; L414-Y450 HydrophobicContact CD2-CD1 4.34Å; L414-Y450 HydrophobicContact CD2-CE1 3.92Å; L414-Y450 HydrophobicContact CG-CE1 4.25Å; L414-Y450 HydrophobicContact CG-CE2 4.46Å; K432-Y450 CarbonylContact C-O 3.51Å; K432-Y450 WeakPolarHBondContact CA-O 2.9Å; I433-Y450 HydrophobicContact CD1-CD1 3.9Å; I433-Y450 HydrophobicContact CD1-CE1 4.49Å; I433-Y450 HydrophobicContact CG1-CD1 4.44Å; I433-Y450 PolarHBondContact N-O 3.11Å; I433-Y450 PolarHBondContact O-N 3.06Å; Y450-I452 HydrophobicContact CD1-CG1 3.98Å; Y450-I452 HydrophobicContact CE1-CB 4.38Å; Y450-I452 HydrophobicContact CE1-CG1 3.98Å; Y450-G455 VanDerWaalsContact CE2-C 3.49Å; Y450-G455 WeakPolarHBondContact OH-CA 3.37Å; Y450-L456 WeakPolarHBondContact CA-O 3.3Å; Y450-W457 AromaticContact CD2-CD1 3.82Å; Y450-W457 HydrophobicContact CD2-CD2 4.04Å; Y450-W457 AromaticContact CD2-CE2 3.82Å; Y450-W457 HydrophobicContact CD2-CG 4.06Å; Y450-W457 HydrophobicContact CD2-CZ2 4.41Å; Y450-W457 AromaticContact CD2-NE1 3.66Å; Y450-W457 HydrophobicContact CG-CD2 4.35Å; Y450-W457 HydrophobicContact CG-CZ2 4.37Å
451	D	90.3	Very high	93.1	Very high	26 Å²	26	51.5 Å²	51.5	14%	0.139	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	116.6	173	-167.6	-55.7	0	0	0	108.7	K432 S453 L454 G455 L456	K432-D451 VanDerWaalsContact CE-OD2 3.29Å; K432-D451 WeakPolarHBondContact CE-OD2 3.45Å; D451-S453 VanDerWaalsContact C-N 3.32Å; D451-S453 WeakPolarHBondContact OD1-CB 3.5Å; D451-S453 PolarHBondContact OD1-N 3.4Å; D451-S453 PolarHBondContact OD1-OG 2.69Å; D451-L454 HydrophobicContact CB-CB 4.16Å; D451-L454 HydrophobicContact CB-CD1 4.29Å; D451-L454 HydrophobicContact CB-CG 4.36Å; D451-L454 PolarHBondContact OD1-N 2.77Å; D451-L454 VanDerWaalsContact OD1-N 3.15Å; D451-G455 WeakPolarHBondContact O-CA 3.18Å; D451-G455 PolarHBondContact O-N 2.55Å; D451-L456 PolarHBondContact N-O 3.24Å; D451-L456 PolarHBondContact O-N 3.05Å
452	I	88.2	Confident	93.4	Very high	21 Å²	21	47 Å²	47	11%	0.108	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-36.8	-175	-61.8	172.3	0	0	0	110.7	D431 I433 Y450 T661	D431-I452 WeakPolarHBondContact O-CB 3.18Å; D431-I452 VanDerWaalsContact O-CG1 3.28Å; D431-I452 WeakPolarHBondContact O-CG1 3.29Å; D431-I452 PolarHBondContact O-N 3.48Å; D431-I452 VanDerWaalsContact O-N 3.09Å; I433-I452 HydrophobicContact CD1-CD1 4.12Å; I433-I452 HydrophobicContact CD1-CG1 4.1Å; I433-I452 HydrophobicContact CG1-CD1 4.01Å; I433-I452 HydrophobicContact CG1-CG1 4.16Å; Y450-I452 HydrophobicContact CD1-CG1 3.98Å; Y450-I452 HydrophobicContact CE1-CB 4.38Å; Y450-I452 HydrophobicContact CE1-CG1 3.98Å; I452-T661 HydrophobicContact CD1-CG2 3.86Å; I452-T661 WeakPolarHBondContact CD1-OG1 3.33Å
453	S	84.8	Confident	93.6	Very high	79 Å²	79	43.3 Å²	43.3	55%	0.552	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-39.6	-178.1	73	0	0	0	0	111.9	D451	D451-S453 VanDerWaalsContact C-N 3.32Å; D451-S453 WeakPolarHBondContact OD1-CB 3.5Å; D451-S453 PolarHBondContact OD1-N 3.4Å; D451-S453 PolarHBondContact OD1-OG 2.69Å
454	L	86.6	Confident	93.6	Very high	120 Å²	120	46.9 Å²	46.9	63%	0.628	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-20	179.7	-58.3	178.2	0	0	0	112.8	D451 L456	D451-L454 HydrophobicContact CB-CB 4.16Å; D451-L454 HydrophobicContact CB-CD1 4.29Å; D451-L454 HydrophobicContact CB-CG 4.36Å; D451-L454 PolarHBondContact OD1-N 2.77Å; D451-L454 VanDerWaalsContact OD1-N 3.15Å; L454-L456 VanDerWaalsContact C-N 3.33Å; L454-L456 HydrophobicContact CB-CB 4.38Å; L454-L456 HydrophobicContact CB-CD1 4.42Å; L454-L456 HydrophobicContact CB-CG 4.46Å
455	G	87.5	Confident	93.6	Very high	2 Å²	2	47.6 Å²	47.6	2%	0.021	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	36.9	-173.4	0	0	0	0	0	112.8	N413 Y450 D451	N413-G455 WeakPolarHBondContact CB-O 3.41Å; N413-G455 PolarHBondContact ND2-O 3.07Å; Y450-G455 VanDerWaalsContact CE2-C 3.49Å; Y450-G455 WeakPolarHBondContact OH-CA 3.37Å; D451-G455 WeakPolarHBondContact O-CA 3.18Å; D451-G455 PolarHBondContact O-N 2.55Å
456	L	91.2	Very high	93.6	Very high	97 Å²	97	44 Å²	44	51%	0.508	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	142.1	-173.2	-69.8	174.9	0	0	0	112.6	Y450 D451 L454	Y450-L456 WeakPolarHBondContact CA-O 3.3Å; D451-L456 PolarHBondContact N-O 3.24Å; D451-L456 PolarHBondContact O-N 3.05Å; L454-L456 VanDerWaalsContact C-N 3.33Å; L454-L456 HydrophobicContact CB-CB 4.38Å; L454-L456 HydrophobicContact CB-CD1 4.42Å; L454-L456 HydrophobicContact CB-CG 4.46Å
457	W	94	Very high	93.6	Very high	62 Å²	62	41.6 Å²	41.6	24%	0.235	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	143.3	168.8	-72.9	98	0	0	0	111.3	I360 N413 L414 P418 L435 N448 I449 Y450	I360-W457 HydrophobicContact CD1-CZ2 4.11Å; N413-W457 PolarHBondContact O-NE1 2.67Å; L414-W457 HydrophobicContact CD1-CH2 4.46Å; L414-W457 HydrophobicContact CD1-CZ2 3.57Å; P418-W457 HydrophobicContact CG-CB 4.5Å; P418-W457 HydrophobicContact CG-CD2 3.54Å; P418-W457 HydrophobicContact CG-CE3 3.66Å; P418-W457 HydrophobicContact CG-CG 3.94Å; P418-W457 HydrophobicContact CG-CH2 4.44Å; P418-W457 HydrophobicContact CG-CZ2 4.34Å; P418-W457 HydrophobicContact CG-CZ3 4.13Å; L435-W457 HydrophobicContact CB-CH2 4.07Å; L435-W457 HydrophobicContact CB-CZ3 3.99Å; L435-W457 HydrophobicContact CD2-CH2 4.37Å; N448-W457 HydrophobicContact CB-CE3 3.81Å; N448-W457 HydrophobicContact CB-CZ3 3.89Å; I449-W457 CarbonylContact O-C 3.55Å; I449-W457 WeakPolarHBondContact O-CA 3.49Å; Y450-W457 AromaticContact CD2-CD1 3.82Å; Y450-W457 HydrophobicContact CD2-CD2 4.04Å; Y450-W457 AromaticContact CD2-CE2 3.82Å; Y450-W457 HydrophobicContact CD2-CG 4.06Å; Y450-W457 HydrophobicContact CD2-CZ2 4.41Å; Y450-W457 AromaticContact CD2-NE1 3.66Å; Y450-W457 HydrophobicContact CG-CD2 4.35Å; Y450-W457 HydrophobicContact CG-CZ2 4.37Å
458	S	94.2	Very high	93.6	Very high	60 Å²	60	41.5 Å²	41.5	42%	0.42	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	166.9	173.1	62.1	0	0	0	0	110.5	N448 I449	N448-S458 WeakPolarHBondContact CA-O 3.47Å; I449-S458 PolarHBondContact N-O 2.8Å; I449-S458 PolarHBondContact O-N 3.43Å; I449-S458 PolarHBondContact O-OG 3.36Å
459	S	95.1	Very high	93.5	Very high	108 Å²	108	44.1 Å²	44.1	76%	0.755	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.9	172.4	-64.1	0	0	0	0	109.8
460	G	94.2	Very high	93.5	Very high	15 Å²	15	44.3 Å²	44.3	16%	0.155	25%	0.25	C	S	.	.			trans	-99.1	-178.3	172.1	0	0	0	0	0	112.6	C447	C447-G460 PolarHBondContact O-N 3.2Å
461	P	95.8	Very high	93.5	Very high	22 Å²	22	45.4 Å²	45.4	14%	0.143	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-68.3	133.9	177	29	-33.7	0	0	0	110.6	C447 L498 N503 W505	C447-P461 WeakPolarHBondContact CB-O 3.37Å; P461-L498 HydrophobicContact CG-CD1 3.67Å; P461-L498 HydrophobicContact CG-CD2 3.95Å; P461-L498 HydrophobicContact CG-CG 4.5Å; P461-N503 WeakPolarHBondContact CB-O 3.43Å; P461-N503 VanDerWaalsContact CD-OD1 3.25Å; P461-N503 WeakPolarHBondContact CD-OD1 3.48Å; P461-N503 WeakPolarHBondContact CG-OD1 3.46Å; P461-W505 VanDerWaalsContact O-CD1 3.25Å; P461-W505 PolarHBondContact O-NE1 2.73Å
462	N	96.8	Very high	93.8	Very high	99 Å²	99	45 Å²	45	53%	0.529	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-73.6	145.2	178.3	-69.7	-30.2	0	0	0	111.3	K445 T446 W505	K445-N462 HydrophobicContact CB-CB 4.18Å; K445-N462 CarbonylContact O-C 3.54Å; K445-N462 WeakPolarHBondContact O-CA 3.43Å; T446-N462 WeakPolarHBondContact CA-OD1 3.32Å; N462-W505 VanDerWaalsContact C-CD1 3.42Å
463	L	97.4	Very high	94.2	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-57.4	152.1	166.6	-68.5	165.4	0	0	0	110.6	V436 K445 T465 R467 A481 E496 W505	V436-L463 HydrophobicContact CG1-CD1 3.67Å; V436-L463 HydrophobicContact CG1-CD2 4.15Å; V436-L463 HydrophobicContact CG1-CG 3.8Å; K445-L463 HydrophobicContact CB-CB 4.33Å; K445-L463 WeakPolarHBondContact CB-O 3.27Å; K445-L463 WeakPolarHBondContact CD-O 3.37Å; K445-L463 PolarHBondContact O-N 2.66Å; L463-T465 VanDerWaalsContact CB-O 3.29Å; L463-T465 WeakPolarHBondContact CB-O 3.39Å; L463-R467 HydrophobicContact CD1-CB 4.28Å; L463-R467 HydrophobicContact CD1-CG 4.39Å; L463-A481 HydrophobicContact CD2-CB 3.84Å; L463-E496 HydrophobicContact CD2-CB 4.44Å; L463-W505 HydrophobicContact CD2-CD2 3.58Å; L463-W505 HydrophobicContact CD2-CE3 3.67Å; L463-W505 HydrophobicContact CD2-CG 4.19Å; L463-W505 HydrophobicContact CD2-CH2 4.03Å; L463-W505 HydrophobicContact CD2-CZ2 3.95Å; L463-W505 HydrophobicContact CD2-CZ3 3.9Å; L463-W505 HydrophobicContact CG-CD2 4.49Å
464	N	96.5	Very high	94.7	Very high	76 Å²	76	43.4 Å²	43.4	41%	0.406	24%	0.24	S	C	.	.	S	Bend	trans	-69.1	-42.1	171.5	-61.4	-76.6	0	0	0	110.8	K445 E496 W505	K445-N464 VanDerWaalsContact CE-O 3.29Å; K445-N464 WeakPolarHBondContact CE-O 3.34Å; K445-N464 PolarHBondContact NZ-O 3.13Å; N464-E496 WeakPolarHBondContact CA-OE2 3.39Å; N464-E496 WeakPolarHBondContact CB-OE2 3.32Å; N464-E496 PolarHBondContact N-OE2 2.84Å; N464-E496 PolarHBondContact ND2-OE2 2.94Å; N464-W505 PolarHBondContact ND2-O 2.78Å
465	T	96.2	Very high	95	Very high	42 Å²	42	37.7 Å²	37.7	26%	0.258	21%	0.21	S	C	.	.	S	Bend	trans	-114.1	133.9	176.7	-52.7	0	0	0	0	110.3	L463 R467 L492 E496	L463-T465 VanDerWaalsContact CB-O 3.29Å; L463-T465 WeakPolarHBondContact CB-O 3.39Å; T465-R467 WeakPolarHBondContact O-CG 3.39Å; T465-R467 PolarHBondContact O-N 2.96Å; T465-L492 HydrophobicContact CG2-CD1 4Å; T465-E496 PolarHBondContact N-OE1 2.93Å
466	G	96.7	Very high	95.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.223	C	C	.	.			trans	-70	131.4	174.8	0	0	0	0	0	110.9	M444 G486 E487	M444-G466 VanDerWaalsContact C-CA 3.43Å; M444-G466 VanDerWaalsContact O-CA 3.24Å; M444-G466 WeakPolarHBondContact O-CA 3.36Å; G466-G486 CarbonylContact O-C 3.56Å; G466-G486 WeakPolarHBondContact O-CA 3.36Å; G466-E487 PolarHBondContact N-OE1 3.35Å; G466-E487 PolarHBondContact O-N 3.45Å
467	R	97.4	Very high	95.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-128.2	141.9	-171	-67.1	168.6	-173.4	-87.3	-0.9	112.1	G438 M444 L463 T465 Y470 G483 V485 L492 S494 E496	G438-R467 PolarHBondContact N-O 2.88Å; M444-R467 PolarHBondContact O-N 3.08Å; M444-R467 VanDerWaalsContact O-N 3.15Å; L463-R467 HydrophobicContact CD1-CB 4.28Å; L463-R467 HydrophobicContact CD1-CG 4.39Å; T465-R467 WeakPolarHBondContact O-CG 3.39Å; T465-R467 PolarHBondContact O-N 2.96Å; R467-Y470 HydrophobicContact CB-CD1 3.74Å; R467-Y470 HydrophobicContact CB-CD2 4.39Å; R467-Y470 HydrophobicContact CB-CE1 4.14Å; R467-Y470 HydrophobicContact CB-CG 3.88Å; R467-G483 PolarHBondContact NH1-O 2.83Å; R467-G483 VanDerWaalsContact NH1-O 3.08Å; R467-V485 WeakPolarHBondContact CA-O 3.18Å; R467-L492 HydrophobicContact CG-CD1 3.9Å; R467-S494 PolarHBondContact NH1-O 3.07Å; R467-S494 PolarHBondContact NH1-OG 2.79Å; R467-S494 PolarHBondContact NH2-OG 2.94Å; R467-E496 IonicContact CZ-OE1 2.86Å; R467-E496 VanDerWaalsContact CZ-OE1 3.29Å; R467-E496 IonicContact NE-OE1 2.62Å; R467-E496 PolarHBondContact NE-OE1 2.82Å; R467-E496 IonicContact NH2-OE1 2.77Å; R467-E496 PolarHBondContact NH2-OE1 3.06Å
468	S	95.6	Very high	95.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-139.8	157.5	166.8	64.5	0	0	0	0	111.6	G423 S443 Y470 G484 V485	G423-S468 CarbonylContact O-C 3.56Å; G423-S468 WeakPolarHBondContact O-CA 3.33Å; S443-S468 PolarHBondContact OG-OG 3.3Å; S468-Y470 PolarHBondContact O-N 2.91Å; S468-Y470 VanDerWaalsContact O-N 3.1Å; S468-G484 CarbonylContact O-C 3.6Å; S468-G484 VanDerWaalsContact O-CA 3.31Å; S468-G484 WeakPolarHBondContact O-CA 3.16Å; S468-V485 PolarHBondContact N-O 3.1Å; S468-V485 PolarHBondContact O-N 3.34Å
469	W	94.3	Very high	95.3	Very high	79 Å²	79	31.6 Å²	31.6	30%	0.299	18%	0.183	S	C	.	.	S	Bend	trans	54.8	30.5	-177.9	-49.8	105.4	0	0	0	113.7	K422 G423 F516 G517 N655	K422-W469 HydrophobicContact CD-CZ2 3.94Å; K422-W469 HydrophobicContact CG-CH2 4.43Å; K422-W469 HydrophobicContact CG-CZ2 3.84Å; G423-W469 PolarHBondContact O-N 3.11Å; W469-F516 HydrophobicContact CB-CB 4.34Å; W469-F516 HydrophobicContact CB-CD2 4.45Å; W469-G517 PolarHBondContact O-N 3.37Å; W469-N655 VanDerWaalsContact CZ3-ND2 3.25Å; W469-N655 WeakPolarHBondContact CZ3-ND2 3.37Å; W469-N655 WeakPolarHBondContact CZ3-OD1 3.42Å
470	Y	96	Very high	95.4	Very high	18 Å²	18	26.8 Å²	26.8	7%	0.071	15%	0.148	C	C	.	.			trans	-102.3	176.5	179.8	79.5	-78	0	0	0	108.9	G425 V436 R467 S468 L472 A481 I482 G483	G425-Y470 PolarHBondContact N-OH 2.92Å; V436-Y470 VanDerWaalsContact CB-OH 3.26Å; V436-Y470 WeakPolarHBondContact CB-OH 3.41Å; V436-Y470 WeakPolarHBondContact CG1-OH 3.21Å; V436-Y470 PolarHBondContact O-OH 3.44Å; R467-Y470 HydrophobicContact CB-CD1 3.74Å; R467-Y470 HydrophobicContact CB-CD2 4.39Å; R467-Y470 HydrophobicContact CB-CE1 4.14Å; R467-Y470 HydrophobicContact CB-CG 3.88Å; S468-Y470 PolarHBondContact O-N 2.91Å; S468-Y470 VanDerWaalsContact O-N 3.1Å; Y470-L472 HydrophobicContact CE2-CB 4.11Å; Y470-L472 HydrophobicContact CE2-CD1 4.08Å; Y470-A481 HydrophobicContact CD2-CB 4.1Å; Y470-A481 HydrophobicContact CE2-CB 3.76Å; Y470-I482 WeakPolarHBondContact CB-O 3.41Å; Y470-G483 VanDerWaalsContact CB-O 3.27Å; Y470-G483 WeakPolarHBondContact CB-O 3.43Å
471	S	95.5	Very high	95.6	Very high	23 Å²	23	26.1 Å²	26.1	16%	0.161	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.6	172.7	-161.4	0	0	0	0	111.8	I482 V520	S471-I482 PolarHBondContact N-O 3.46Å; S471-I482 VanDerWaalsContact N-O 3.1Å; S471-I482 PolarHBondContact O-N 2.87Å; S471-V520 VanDerWaalsContact CB-CG2 3.41Å; S471-V520 WeakPolarHBondContact OG-CB 3.4Å; S471-V520 WeakPolarHBondContact OG-CG2 3.24Å
472	L	96.3	Very high	95.7	Very high	18 Å²	18	25 Å²	25	9%	0.094	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.7	173.6	-166.7	73.3	0	0	0	107.8	I427 V436 Y470 I479 Y480 A481 W505	I427-L472 HydrophobicContact CB-CD2 3.9Å; I427-L472 HydrophobicContact CB-CG 4.24Å; I427-L472 HydrophobicContact CG2-CD2 3.6Å; I427-L472 HydrophobicContact CG2-CG 4.05Å; V436-L472 HydrophobicContact CB-CD1 4.4Å; V436-L472 HydrophobicContact CB-CD2 4.1Å; V436-L472 HydrophobicContact CG2-CD1 4.42Å; V436-L472 HydrophobicContact CG2-CD2 3.88Å; Y470-L472 HydrophobicContact CE2-CB 4.11Å; Y470-L472 HydrophobicContact CE2-CD1 4.08Å; L472-I479 HydrophobicContact CD1-CG2 3.47Å; L472-I479 VanDerWaalsContact CD1-CG2 3.47Å; L472-I479 HydrophobicContact CD2-CG2 4.41Å; L472-I479 HydrophobicContact CG-CG2 3.85Å; L472-Y480 WeakPolarHBondContact CA-O 3.47Å; L472-A481 HydrophobicContact CD1-CB 4.07Å; L472-W505 HydrophobicContact CD1-CH2 4Å
473	T	95.7	Very high	95.7	Very high	12 Å²	12	20.3 Å²	20.3	7%	0.074	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	153.3	-179.6	-159.7	0	0	0	0	110.9	I479 Y480 I482 V520 S522 I527	T473-I479 CarbonylContact O-C 3.57Å; T473-I479 WeakPolarHBondContact O-CA 3.31Å; T473-Y480 PolarHBondContact N-O 2.99Å; T473-Y480 PolarHBondContact O-N 2.76Å; T473-I482 HydrophobicContact CG2-CD1 4.02Å; T473-V520 HydrophobicContact CG2-CG1 3.86Å; T473-S522 PolarHBondContact OG1-OG 2.84Å; T473-I527 HydrophobicContact CG2-CD1 4Å; T473-I527 HydrophobicContact CG2-CG1 4.25Å; T473-I527 HydrophobicContact CG2-CG2 3.85Å
474	E	94.9	Very high	95.7	Very high	55 Å²	55	20.1 Å²	20.1	26%	0.257	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	139.8	171	179.5	-81.3	136.8	0	0	109.1	I427 L429 D476 G477 V478 S522	I427-E474 HydrophobicContact CD1-CB 4.16Å; I427-E474 HydrophobicContact CG1-CB 3.86Å; L429-E474 HydrophobicContact CD1-CG 4.01Å; E474-D476 PolarHBondContact OE1-N 3.16Å; E474-G477 WeakPolarHBondContact OE1-CA 3.38Å; E474-G477 PolarHBondContact OE1-N 3Å; E474-V478 WeakPolarHBondContact CA-O 3.31Å; E474-S522 WeakPolarHBondContact O-CB 3.4Å; E474-S522 PolarHBondContact O-OG 3.16Å
475	C	93.5	Very high	95.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	122.8	175.5	-159.2	0	0	0	0	108.9	G477 V478 Y480 T523 I527 I543	C475-G477 VanDerWaalsContact C-N 3.32Å; C475-G477 PolarHBondContact O-N 3.34Å; C475-V478 PolarHBondContact N-O 2.99Å; C475-V478 PolarHBondContact O-N 3.34Å; C475-V478 VanDerWaalsContact O-N 3.11Å; C475-Y480 HydrophobicContact CB-CD2 4.12Å; C475-Y480 HydrophobicContact CB-CE2 3.91Å; C475-T523 PolarHBondContact SG-O 3.25Å; C475-I527 HydrophobicContact CB-CD1 3.92Å; C475-I527 HydrophobicContact CB-CG1 3.8Å; C475-I543 HydrophobicContact CB-CD1 3.69Å; C475-I543 WeakPolarHBondContact SG-CD1 3.27Å
476	D	90.9	Very high	95.7	Very high	54 Å²	54	15.3 Å²	15.3	29%	0.289	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	41.2	-174.7	-160.7	30.5	0	0	0	114.9	S302 E474 V478 N524	S302-D476 PolarHBondContact OG-OD1 2.91Å; E474-D476 PolarHBondContact OE1-N 3.16Å; D476-V478 PolarHBondContact O-N 3.04Å; D476-N524 WeakPolarHBondContact CB-O 3.47Å
477	G	91.7	Very high	95.7	Very high	22 Å²	22	19.8 Å²	19.8	23%	0.227	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	12.4	-180	0	0	0	0	0	114.3	L429 E474 C475 P500	L429-G477 WeakPolarHBondContact CD2-O 3.39Å; E474-G477 WeakPolarHBondContact OE1-CA 3.38Å; E474-G477 PolarHBondContact OE1-N 3Å; C475-G477 VanDerWaalsContact C-N 3.32Å; C475-G477 PolarHBondContact O-N 3.34Å; G477-P500 WeakPolarHBondContact O-CD 3.43Å
478	V	94	Very high	95.6	Very high	16 Å²	16	24.8 Å²	24.8	10%	0.097	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.7	177.5	178	0	0	0	0	109.4	E474 C475 D476 Y480 M497 L498	E474-V478 WeakPolarHBondContact CA-O 3.31Å; C475-V478 PolarHBondContact N-O 2.99Å; C475-V478 PolarHBondContact O-N 3.34Å; C475-V478 VanDerWaalsContact O-N 3.11Å; D476-V478 PolarHBondContact O-N 3.04Å; V478-Y480 HydrophobicContact CB-CE2 3.83Å; V478-Y480 HydrophobicContact CG1-CD2 4.24Å; V478-Y480 HydrophobicContact CG1-CE2 3.71Å; V478-Y480 WeakPolarHBondContact O-CD2 3.48Å; V478-M497 HydrophobicContact CG1-CB 3.79Å; V478-M497 HydrophobicContact CG1-CG 4.37Å; V478-M497 HydrophobicContact CG1-SD 4.23Å; V478-L498 WeakPolarHBondContact CG1-O 2.93Å
479	I	96.8	Very high	95.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.3	178.9	-57.9	171.5	0	0	0	109.5	I427 L429 Y434 L472 T473 M497 L498 W505	I427-I479 HydrophobicContact CG2-CD1 3.76Å; I427-I479 HydrophobicContact CG2-CG1 4.04Å; I427-I479 HydrophobicContact CG2-CG2 3.89Å; L429-I479 HydrophobicContact CB-CD1 4.36Å; L429-I479 HydrophobicContact CD2-CD1 3.87Å; L429-I479 HydrophobicContact CD2-CG1 3.62Å; Y434-I479 HydrophobicContact CD1-CD1 3.86Å; Y434-I479 HydrophobicContact CD2-CD1 3.57Å; Y434-I479 HydrophobicContact CE1-CD1 4.09Å; Y434-I479 HydrophobicContact CE2-CD1 3.84Å; Y434-I479 HydrophobicContact CG-CD1 3.61Å; L472-I479 HydrophobicContact CD1-CG2 3.47Å; L472-I479 VanDerWaalsContact CD1-CG2 3.47Å; L472-I479 HydrophobicContact CD2-CG2 4.41Å; L472-I479 HydrophobicContact CG-CG2 3.85Å; T473-I479 CarbonylContact O-C 3.57Å; T473-I479 WeakPolarHBondContact O-CA 3.31Å; I479-M497 CarbonylContact O-C 3.52Å; I479-M497 WeakPolarHBondContact O-CA 3.43Å; I479-L498 HydrophobicContact CB-CB 4.33Å; I479-L498 HydrophobicContact CD1-CD2 4.39Å; I479-L498 PolarHBondContact N-O 3.27Å; I479-L498 PolarHBondContact O-N 2.67Å; I479-W505 HydrophobicContact CB-CH2 4.45Å; I479-W505 HydrophobicContact CG2-CH2 3.86Å
480	Y	97.4	Very high	95.5	Very high	8 Å²	8	31.3 Å²	31.3	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.8	178.3	-68.1	-101.6	0	0	0	111.1	L472 T473 C475 V478 V495 E496 M497 I527 Y541 I543	L472-Y480 WeakPolarHBondContact CA-O 3.47Å; T473-Y480 PolarHBondContact N-O 2.99Å; T473-Y480 PolarHBondContact O-N 2.76Å; C475-Y480 HydrophobicContact CB-CD2 4.12Å; C475-Y480 HydrophobicContact CB-CE2 3.91Å; V478-Y480 HydrophobicContact CB-CE2 3.83Å; V478-Y480 HydrophobicContact CG1-CD2 4.24Å; V478-Y480 HydrophobicContact CG1-CE2 3.71Å; V478-Y480 WeakPolarHBondContact O-CD2 3.48Å; Y480-V495 HydrophobicContact CD1-CG1 4.09Å; Y480-E496 CarbonylContact C-O 3.56Å; Y480-E496 WeakPolarHBondContact CA-O 3.45Å; Y480-M497 HydrophobicContact CD1-CB 4.01Å; Y480-M497 HydrophobicContact CE1-CB 3.97Å; Y480-M497 HydrophobicContact CE1-CE 3.64Å; Y480-M497 HydrophobicContact CG-CB 4.5Å; Y480-I527 HydrophobicContact CD1-CD1 3.8Å; Y480-I527 HydrophobicContact CD2-CD1 3.57Å; Y480-I527 HydrophobicContact CE1-CD1 4.1Å; Y480-I527 HydrophobicContact CE2-CD1 3.93Å; Y480-I527 HydrophobicContact CG-CD1 3.51Å; Y480-Y541 HydrophobicContact CE1-CD1 4.49Å; Y480-Y541 AromaticContact CE1-CE1 3.93Å; Y480-Y541 HydrophobicContact CE1-CE1 3.93Å; Y480-I543 HydrophobicContact CE2-CD1 4.28Å
481	A	97.7	Very high	95.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	109.8	170.6	0	0	0	0	0	109.5	L463 Y470 L472 V495 E496 W505	L463-A481 HydrophobicContact CD2-CB 3.84Å; Y470-A481 HydrophobicContact CD2-CB 4.1Å; Y470-A481 HydrophobicContact CE2-CB 3.76Å; L472-A481 HydrophobicContact CD1-CB 4.07Å; A481-V495 WeakPolarHBondContact O-CA 3.44Å; A481-E496 PolarHBondContact N-O 2.82Å; A481-E496 PolarHBondContact O-N 3.42Å; A481-W505 HydrophobicContact CB-CH2 4.08Å; A481-W505 HydrophobicContact CB-CZ3 3.73Å
482	I	97.9	Very high	95.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.2	-166.2	-57.7	166.5	0	0	0	109.5	Y470 S471 T473 V495 M511 F518 V520 I527 V529 W548	Y470-I482 WeakPolarHBondContact CB-O 3.41Å; S471-I482 PolarHBondContact N-O 3.46Å; S471-I482 VanDerWaalsContact N-O 3.1Å; S471-I482 PolarHBondContact O-N 2.87Å; T473-I482 HydrophobicContact CG2-CD1 4.02Å; I482-V495 HydrophobicContact CG1-CG1 3.93Å; I482-V495 HydrophobicContact CG1-CG2 4.39Å; I482-V495 HydrophobicContact CG2-CG2 4.11Å; I482-M511 HydrophobicContact CG2-CE 3.96Å; I482-M511 HydrophobicContact CG2-CG 4.1Å; I482-M511 HydrophobicContact CG2-SD 3.48Å; I482-M511 WeakPolarHBondContact CG2-SD 3.24Å; I482-F518 HydrophobicContact CB-CZ 4.34Å; I482-F518 HydrophobicContact CG2-CE2 4.09Å; I482-F518 HydrophobicContact CG2-CZ 3.91Å; I482-F518 VanDerWaalsContact O-CZ 3.27Å; I482-F518 WeakPolarHBondContact O-CZ 3.41Å; I482-V520 HydrophobicContact CD1-CG2 4.45Å; I482-I527 HydrophobicContact CD1-CD1 4.49Å; I482-I527 HydrophobicContact CD1-CG2 3.63Å; I482-V529 HydrophobicContact CG2-CG2 4.04Å; I482-W548 HydrophobicContact CG2-CH2 4.33Å
483	G	97.2	Very high	95.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.			trans	61.1	-144.8	168.4	0	0	0	0	0	115.4	R467 Y470 L492 S494	R467-G483 PolarHBondContact NH1-O 2.83Å; R467-G483 VanDerWaalsContact NH1-O 3.08Å; Y470-G483 VanDerWaalsContact CB-O 3.27Å; Y470-G483 WeakPolarHBondContact CB-O 3.43Å; G483-L492 WeakPolarHBondContact CA-O 3.46Å; G483-S494 PolarHBondContact N-O 2.85Å
484	G	96.6	Very high	95.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.			trans	93.1	-150.9	178.8	0	0	0	0	0	113.9	S468 T491 L492 R515	S468-G484 CarbonylContact O-C 3.6Å; S468-G484 VanDerWaalsContact O-CA 3.31Å; S468-G484 WeakPolarHBondContact O-CA 3.16Å; G484-T491 CarbonylContact O-C 3.55Å; G484-T491 WeakPolarHBondContact O-CA 3.49Å; G484-L492 PolarHBondContact O-N 3.25Å; G484-R515 PolarHBondContact N-O 2.86Å
485	V	97.1	Very high	96	Very high	17 Å²	17	31.6 Å²	31.6	10%	0.103	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-118.5	127.5	-179.7	-178.8	0	0	0	0	109.4	S443 R467 S468 D489 Q490 F516	S443-V485 PolarHBondContact OG-O 3.01Å; R467-V485 WeakPolarHBondContact CA-O 3.18Å; S468-V485 PolarHBondContact N-O 3.1Å; S468-V485 PolarHBondContact O-N 3.34Å; V485-D489 HydrophobicContact CG1-CB 4.47Å; V485-Q490 WeakPolarHBondContact CA-O 3.47Å; V485-F516 HydrophobicContact CG2-CB 4.03Å; V485-F516 HydrophobicContact CG2-CD2 4.42Å; V485-F516 HydrophobicContact CG2-CG 4.08Å
486	G	97.1	Very high	96.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.			trans	-71.8	-177.8	-179.6	0	0	0	0	0	114.5	S443 G466 D488 D489 Q490	S443-G486 VanDerWaalsContact CB-O 3.26Å; S443-G486 WeakPolarHBondContact CB-O 3.44Å; S443-G486 PolarHBondContact OG-O 3.36Å; G466-G486 CarbonylContact O-C 3.56Å; G466-G486 WeakPolarHBondContact O-CA 3.36Å; G486-D488 VanDerWaalsContact C-N 3.26Å; G486-D489 PolarHBondContact O-N 3.44Å; G486-Q490 PolarHBondContact N-O 3.45Å
487	E	95.9	Very high	96.4	Very high	94 Å²	94	31.3 Å²	31.3	44%	0.439	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-28.7	171.5	-75.9	163.7	-89.5	0	0	112.7	S443 K445 G466 D489	S443-E487 VanDerWaalsContact O-CG 3.3Å; S443-E487 WeakPolarHBondContact O-CG 3.44Å; K445-E487 VanDerWaalsContact CE-CD 3.4Å; K445-E487 WeakPolarHBondContact CE-OE1 3.01Å; K445-E487 WeakPolarHBondContact CE-OE2 3.47Å; K445-E487 IonicContact NZ-OE1 3.51Å; G466-E487 PolarHBondContact N-OE1 3.35Å; G466-E487 PolarHBondContact O-N 3.45Å; E487-D489 PolarHBondContact O-N 3Å
488	D	94.6	Very high	96.7	Very high	104 Å²	104	30.2 Å²	30.2	56%	0.556	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	9.9	177.2	62.7	-11.5	0	0	0	113.4	G486 Q490	G486-D488 VanDerWaalsContact C-N 3.26Å; D488-Q490 HydrophobicContact CB-CG 4.36Å; D488-Q490 PolarHBondContact O-N 2.85Å; D488-Q490 VanDerWaalsContact O-N 3.11Å; D488-Q490 WeakPolarHBondContact OD1-CB 3.34Å; D488-Q490 PolarHBondContact OD1-N 3.28Å; D488-Q490 VanDerWaalsContact OD1-N 3.08Å; D488-Q490 VanDerWaalsContact OD2-CG 3.23Å; D488-Q490 WeakPolarHBondContact OD2-CG 3.48Å
489	D	92.8	Very high	96.6	Very high	98 Å²	98	30.9 Å²	30.9	52%	0.524	16%	0.164	S	C	.	.	S	Bend	trans	58.3	14.5	-174	-71.8	-40.5	0	0	0	114.6	K439 V485 G486 E487	K439-D489 IonicContact NZ-OD1 2.61Å; K439-D489 PolarHBondContact NZ-OD1 3.35Å; K439-D489 IonicContact NZ-OD2 3.92Å; V485-D489 HydrophobicContact CG1-CB 4.47Å; G486-D489 PolarHBondContact O-N 3.44Å; E487-D489 PolarHBondContact O-N 3Å
490	Q	96.3	Very high	96.2	Very high	118 Å²	118	32.4 Å²	32.4	55%	0.551	17%	0.174	S	C	*	.	P	Polyproline II helix	trans	-80.3	145.8	173.1	-62.4	-56.2	-50.7	0	0	111.4	V485 G486 D488	V485-Q490 WeakPolarHBondContact CA-O 3.47Å; G486-Q490 PolarHBondContact N-O 3.45Å; D488-Q490 HydrophobicContact CB-CG 4.36Å; D488-Q490 PolarHBondContact O-N 2.85Å; D488-Q490 VanDerWaalsContact O-N 3.11Å; D488-Q490 WeakPolarHBondContact OD1-CB 3.34Å; D488-Q490 PolarHBondContact OD1-N 3.28Å; D488-Q490 VanDerWaalsContact OD1-N 3.08Å; D488-Q490 VanDerWaalsContact OD2-CG 3.23Å; D488-Q490 WeakPolarHBondContact OD2-CG 3.48Å
491	T	96.9	Very high	95.7	Very high	53 Å²	53	37.8 Å²	37.8	33%	0.325	19%	0.194	S	C	.	.	B	Isolated β-bridge	trans	-74.2	132.9	172.5	-56.1	0	0	0	0	109.4	G484 P514 F516	G484-T491 CarbonylContact O-C 3.55Å; G484-T491 WeakPolarHBondContact O-CA 3.49Å; T491-P514 HydrophobicContact CG2-CB 3.64Å; T491-F516 HydrophobicContact CG2-CB 4.48Å; T491-F516 HydrophobicContact CG2-CD1 3.84Å
492	L	97.7	Very high	95.3	Very high	22 Å²	22	42 Å²	42	12%	0.115	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-100.8	138.1	-174.9	-58.5	175.6	0	0	0	111.1	T465 R467 G483 G484 R515	T465-L492 HydrophobicContact CG2-CD1 4Å; R467-L492 HydrophobicContact CG-CD1 3.9Å; G483-L492 WeakPolarHBondContact CA-O 3.46Å; G484-L492 PolarHBondContact O-N 3.25Å; L492-R515 PolarHBondContact O-N 3.2Å; L492-R515 VanDerWaalsContact O-N 3.17Å
493	S	97.4	Very high	94.9	Very high	35 Å²	35	46.3 Å²	46.3	25%	0.245	24%	0.242	C	C	.	.			trans	-97.4	-12.4	159.9	55.1	0	0	0	0	112.2	S510 M511	S493-S510 WeakPolarHBondContact O-CA 3.4Å; S493-S510 WeakPolarHBondContact O-CB 3.3Å; S493-M511 PolarHBondContact O-N 2.9Å
494	S	97.7	Very high	94.7	Very high	22 Å²	22	52.1 Å²	52.1	15%	0.154	27%	0.268	C	S	.	.			trans	-67.4	149.1	-173.3	60.8	0	0	0	0	112	R467 G483	R467-S494 PolarHBondContact NH1-O 3.07Å; R467-S494 PolarHBondContact NH1-OG 2.79Å; R467-S494 PolarHBondContact NH2-OG 2.94Å; G483-S494 PolarHBondContact N-O 2.85Å
495	V	97.9	Very high	94.7	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.6	-179.6	-178.2	0	0	0	0	107.9	Y480 A481 I482 C508 M511 W548	Y480-V495 HydrophobicContact CD1-CG1 4.09Å; A481-V495 WeakPolarHBondContact O-CA 3.44Å; I482-V495 HydrophobicContact CG1-CG1 3.93Å; I482-V495 HydrophobicContact CG1-CG2 4.39Å; I482-V495 HydrophobicContact CG2-CG2 4.11Å; V495-C508 HydrophobicContact CB-CB 4.18Å; V495-C508 HydrophobicContact CG1-CB 4.13Å; V495-C508 PolarHBondContact O-N 3.36Å; V495-M511 HydrophobicContact CG2-CG 4.32Å; V495-W548 HydrophobicContact CG2-CZ2 3.88Å
496	E	97.6	Very high	94.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140	172.8	-68.2	175.6	-117.6	0	0	109.3	L463 N464 T465 R467 Y480 A481 W505 E506 L507	L463-E496 HydrophobicContact CD2-CB 4.44Å; N464-E496 WeakPolarHBondContact CA-OE2 3.39Å; N464-E496 WeakPolarHBondContact CB-OE2 3.32Å; N464-E496 PolarHBondContact N-OE2 2.84Å; N464-E496 PolarHBondContact ND2-OE2 2.94Å; T465-E496 PolarHBondContact N-OE1 2.93Å; R467-E496 IonicContact CZ-OE1 2.86Å; R467-E496 VanDerWaalsContact CZ-OE1 3.29Å; R467-E496 IonicContact NE-OE1 2.62Å; R467-E496 PolarHBondContact NE-OE1 2.82Å; R467-E496 IonicContact NH2-OE1 2.77Å; R467-E496 PolarHBondContact NH2-OE1 3.06Å; Y480-E496 CarbonylContact C-O 3.56Å; Y480-E496 WeakPolarHBondContact CA-O 3.45Å; A481-E496 PolarHBondContact N-O 2.82Å; A481-E496 PolarHBondContact O-N 3.42Å; E496-W505 HydrophobicContact CB-CE3 3.82Å; E496-W505 HydrophobicContact CB-CZ3 4.42Å; E496-E506 CarbonylContact C-O 3.6Å; E496-E506 WeakPolarHBondContact CA-O 3.43Å; E496-L507 HydrophobicContact CG-CD2 3.77Å
497	M	96.5	Very high	94.5	Very high	47 Å²	47	62 Å²	62	23%	0.232	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	147.4	173.6	71	170.5	63.3	0	0	111.2	V478 I479 Y480 W505 E506 C508	V478-M497 HydrophobicContact CG1-CB 3.79Å; V478-M497 HydrophobicContact CG1-CG 4.37Å; V478-M497 HydrophobicContact CG1-SD 4.23Å; I479-M497 CarbonylContact O-C 3.52Å; I479-M497 WeakPolarHBondContact O-CA 3.43Å; Y480-M497 HydrophobicContact CD1-CB 4.01Å; Y480-M497 HydrophobicContact CE1-CB 3.97Å; Y480-M497 HydrophobicContact CE1-CE 3.64Å; Y480-M497 HydrophobicContact CG-CB 4.5Å; M497-W505 CarbonylContact O-C 3.56Å; M497-W505 VanDerWaalsContact O-CA 3.3Å; M497-W505 WeakPolarHBondContact O-CA 3.34Å; M497-E506 HydrophobicContact CG-CB 4.45Å; M497-E506 PolarHBondContact N-O 2.96Å; M497-E506 PolarHBondContact O-N 3.44Å; M497-C508 WeakPolarHBondContact CB-SG 3.34Å; M497-C508 HydrophobicContact CE-CB 4.18Å; M497-C508 WeakPolarHBondContact CE-SG 3.29Å; M497-C508 WeakPolarHBondContact CG-SG 3.2Å; M497-C508 PolarHBondContact N-SG 2.8Å
498	L	96.7	Very high	94.3	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	110.6	171.7	171.9	65.2	0	0	0	108.3	Y434 P461 V478 I479 K504 W505	Y434-L498 HydrophobicContact CD1-CD2 4.12Å; Y434-L498 HydrophobicContact CE1-CD2 3.94Å; P461-L498 HydrophobicContact CG-CD1 3.67Å; P461-L498 HydrophobicContact CG-CD2 3.95Å; P461-L498 HydrophobicContact CG-CG 4.5Å; V478-L498 WeakPolarHBondContact CG1-O 2.93Å; I479-L498 HydrophobicContact CB-CB 4.33Å; I479-L498 HydrophobicContact CD1-CD2 4.39Å; I479-L498 PolarHBondContact N-O 3.27Å; I479-L498 PolarHBondContact O-N 2.67Å; L498-K504 VanDerWaalsContact CD1-N 3.34Å; L498-K504 WeakPolarHBondContact CD1-O 3.4Å; L498-W505 HydrophobicContact CB-CD2 3.69Å; L498-W505 HydrophobicContact CB-CE3 3.67Å; L498-W505 HydrophobicContact CB-CG 4.37Å; L498-W505 HydrophobicContact CB-CH2 3.84Å; L498-W505 HydrophobicContact CB-CZ2 3.86Å; L498-W505 HydrophobicContact CB-CZ3 3.74Å; L498-W505 HydrophobicContact CD2-CH2 4.45Å; L498-W505 HydrophobicContact CD2-CZ2 3.79Å; L498-W505 HydrophobicContact CG-CZ2 4.45Å
499	D	92.1	Very high	94.3	Very high	30 Å²	30	56.3 Å²	56.3	16%	0.16	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	116.6	162.5	-173	-28.9	0	0	0	108.3	R501 V502 N503	D499-R501 PolarHBondContact O-N 3.3Å; D499-R501 VanDerWaalsContact O-N 3.12Å; D499-R501 VanDerWaalsContact OD1-CB 3.24Å; D499-R501 WeakPolarHBondContact OD1-CB 3.34Å; D499-R501 WeakPolarHBondContact OD1-CG 3.45Å; D499-R501 IonicContact OD1-CZ 3.22Å; D499-R501 PolarHBondContact OD1-N 3.02Å; D499-R501 IonicContact OD1-NE 3.19Å; D499-R501 PolarHBondContact OD1-NE 3.33Å; D499-R501 IonicContact OD1-NH2 2.72Å; D499-R501 IonicContact OD2-CZ 3.29Å; D499-R501 VanDerWaalsContact OD2-CZ 3.25Å; D499-R501 IonicContact OD2-NE 2.78Å; D499-R501 PolarHBondContact OD2-NE 3.25Å; D499-R501 VanDerWaalsContact OD2-NE 3.13Å; D499-R501 IonicContact OD2-NH2 2.65Å; D499-R501 PolarHBondContact OD2-NH2 2.95Å; D499-V502 HydrophobicContact CB-CB 4.33Å; D499-V502 HydrophobicContact CB-CG2 4.12Å; D499-V502 PolarHBondContact O-N 3.37Å; D499-V502 VanDerWaalsContact O-N 3.16Å; D499-N503 PolarHBondContact O-N 3.2Å
500	P	89.2	Confident	94.5	Very high	31 Å²	31	54.4 Å²	54.4	20%	0.201	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.4	-178.7	27.7	-36.9	0	0	0	113.4	L429 G477	L429-P500 HydrophobicContact CD2-CG 3.87Å; G477-P500 WeakPolarHBondContact O-CD 3.43Å
501	R	87	Confident	94.6	Very high	121 Å²	121	49.2 Å²	49.2	46%	0.457	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-40.1	176.9	-58.6	169.3	-69.7	-176.8	-5.3	111.8	Q298 L299 D499	Q298-R501 PolarHBondContact O-NH1 3.31Å; L299-R501 VanDerWaalsContact C-NH1 3.3Å; D499-R501 PolarHBondContact O-N 3.3Å; D499-R501 VanDerWaalsContact O-N 3.12Å; D499-R501 VanDerWaalsContact OD1-CB 3.24Å; D499-R501 WeakPolarHBondContact OD1-CB 3.34Å; D499-R501 WeakPolarHBondContact OD1-CG 3.45Å; D499-R501 IonicContact OD1-CZ 3.22Å; D499-R501 PolarHBondContact OD1-N 3.02Å; D499-R501 IonicContact OD1-NE 3.19Å; D499-R501 PolarHBondContact OD1-NE 3.33Å; D499-R501 IonicContact OD1-NH2 2.72Å; D499-R501 IonicContact OD2-CZ 3.29Å; D499-R501 VanDerWaalsContact OD2-CZ 3.25Å; D499-R501 IonicContact OD2-NE 2.78Å; D499-R501 PolarHBondContact OD2-NE 3.25Å; D499-R501 VanDerWaalsContact OD2-NE 3.13Å; D499-R501 IonicContact OD2-NH2 2.65Å; D499-R501 PolarHBondContact OD2-NH2 2.95Å
502	V	89.9	Confident	94.6	Very high	89 Å²	89	51.4 Å²	51.4	54%	0.539	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-28.9	176.7	-175.1	0	0	0	0	110.8	D499 K504	D499-V502 HydrophobicContact CB-CB 4.33Å; D499-V502 HydrophobicContact CB-CG2 4.12Å; D499-V502 PolarHBondContact O-N 3.37Å; D499-V502 VanDerWaalsContact O-N 3.16Å; V502-K504 VanDerWaalsContact C-N 3.3Å; V502-K504 HydrophobicContact CG1-CB 4.14Å; V502-K504 PolarHBondContact O-N 2.78Å
503	N	88.9	Confident	94.4	Very high	90 Å²	90	54.6 Å²	54.6	48%	0.481	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	39.4	179.5	-164.5	33	0	0	0	113	P461 D499	P461-N503 WeakPolarHBondContact CB-O 3.43Å; P461-N503 VanDerWaalsContact CD-OD1 3.25Å; P461-N503 WeakPolarHBondContact CD-OD1 3.48Å; P461-N503 WeakPolarHBondContact CG-OD1 3.46Å; D499-N503 PolarHBondContact O-N 3.2Å
504	K	92.5	Very high	94.4	Very high	123 Å²	123	56.4 Å²	56.4	54%	0.535	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	140.5	178.4	-172.2	-176.6	174.7	-167	0	110.7	L498 V502	L498-K504 VanDerWaalsContact CD1-N 3.34Å; L498-K504 WeakPolarHBondContact CD1-O 3.4Å; V502-K504 VanDerWaalsContact C-N 3.3Å; V502-K504 HydrophobicContact CG1-CB 4.14Å; V502-K504 PolarHBondContact O-N 2.78Å
505	W	96.6	Very high	94.3	Very high	3 Å²	3	55.7 Å²	55.7	1%	0.011	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	128	172.4	-69.9	92.8	0	0	0	111.2	V436 P461 N462 L463 N464 L472 I479 A481 E496 M497 L498	V436-W505 HydrophobicContact CG1-CH2 4.42Å; V436-W505 HydrophobicContact CG1-CZ2 3.91Å; V436-W505 HydrophobicContact CG2-CZ2 4.18Å; P461-W505 VanDerWaalsContact O-CD1 3.25Å; P461-W505 PolarHBondContact O-NE1 2.73Å; N462-W505 VanDerWaalsContact C-CD1 3.42Å; L463-W505 HydrophobicContact CD2-CD2 3.58Å; L463-W505 HydrophobicContact CD2-CE3 3.67Å; L463-W505 HydrophobicContact CD2-CG 4.19Å; L463-W505 HydrophobicContact CD2-CH2 4.03Å; L463-W505 HydrophobicContact CD2-CZ2 3.95Å; L463-W505 HydrophobicContact CD2-CZ3 3.9Å; L463-W505 HydrophobicContact CG-CD2 4.49Å; N464-W505 PolarHBondContact ND2-O 2.78Å; L472-W505 HydrophobicContact CD1-CH2 4Å; I479-W505 HydrophobicContact CB-CH2 4.45Å; I479-W505 HydrophobicContact CG2-CH2 3.86Å; A481-W505 HydrophobicContact CB-CH2 4.08Å; A481-W505 HydrophobicContact CB-CZ3 3.73Å; E496-W505 HydrophobicContact CB-CE3 3.82Å; E496-W505 HydrophobicContact CB-CZ3 4.42Å; M497-W505 CarbonylContact O-C 3.56Å; M497-W505 VanDerWaalsContact O-CA 3.3Å; M497-W505 WeakPolarHBondContact O-CA 3.34Å; L498-W505 HydrophobicContact CB-CD2 3.69Å; L498-W505 HydrophobicContact CB-CE3 3.67Å; L498-W505 HydrophobicContact CB-CG 4.37Å; L498-W505 HydrophobicContact CB-CH2 3.84Å; L498-W505 HydrophobicContact CB-CZ2 3.86Å; L498-W505 HydrophobicContact CB-CZ3 3.74Å; L498-W505 HydrophobicContact CD2-CH2 4.45Å; L498-W505 HydrophobicContact CD2-CZ2 3.79Å; L498-W505 HydrophobicContact CG-CZ2 4.45Å
506	E	96.1	Very high	94.1	Very high	100 Å²	100	58.9 Å²	58.9	47%	0.467	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	149.5	177.7	-59.8	-164.3	152.3	0	0	110.9	E496 M497	E496-E506 CarbonylContact C-O 3.6Å; E496-E506 WeakPolarHBondContact CA-O 3.43Å; M497-E506 HydrophobicContact CG-CB 4.45Å; M497-E506 PolarHBondContact N-O 2.96Å; M497-E506 PolarHBondContact O-N 3.44Å
507	L	95.2	Very high	93.8	Very high	122 Å²	122	59.7 Å²	59.7	64%	0.639	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	139.2	178.6	-73.8	164.3	0	0	0	110.8	E496	E496-L507 HydrophobicContact CG-CD2 3.77Å
508	C	91.2	Very high	93.8	Very high	21 Å²	21	58.3 Å²	58.3	14%	0.142	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	176.6	176.5	-42.7	0	0	0	0	111.4	V495 M497 S510	V495-C508 HydrophobicContact CB-CB 4.18Å; V495-C508 HydrophobicContact CG1-CB 4.13Å; V495-C508 PolarHBondContact O-N 3.36Å; M497-C508 WeakPolarHBondContact CB-SG 3.34Å; M497-C508 HydrophobicContact CE-CB 4.18Å; M497-C508 WeakPolarHBondContact CE-SG 3.29Å; M497-C508 WeakPolarHBondContact CG-SG 3.2Å; M497-C508 PolarHBondContact N-SG 2.8Å; C508-S510 PolarHBondContact O-N 2.88Å
509	S	94.8	Very high	93.7	Very high	56 Å²	56	59 Å²	59	39%	0.392	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-49.5	124.1	167.2	-63.5	0	0	0	0	110.7	G546 W548	S509-G546 VanDerWaalsContact CB-O 3.32Å; S509-G546 WeakPolarHBondContact CB-O 3.48Å; S509-G546 PolarHBondContact OG-O 2.86Å; S509-W548 PolarHBondContact O-NE1 2.87Å
510	S	97.2	Very high	93.9	Very high	59 Å²	59	58.7 Å²	58.7	41%	0.413	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-74	151.6	178.2	-60.9	0	0	0	0	110.9	S493 C508 W548	S493-S510 WeakPolarHBondContact O-CA 3.4Å; S493-S510 WeakPolarHBondContact O-CB 3.3Å; C508-S510 PolarHBondContact O-N 2.88Å; S510-W548 PolarHBondContact O-NE1 2.89Å
511	M	97.4	Very high	94.1	Very high	8 Å²	8	57.6 Å²	57.6	4%	0.039	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-55.2	158.7	170	-68.1	-175	-64	0	0	110.9	I482 S493 V495 R513 R515 F518 V529 W548	I482-M511 HydrophobicContact CG2-CE 3.96Å; I482-M511 HydrophobicContact CG2-CG 4.1Å; I482-M511 HydrophobicContact CG2-SD 3.48Å; I482-M511 WeakPolarHBondContact CG2-SD 3.24Å; S493-M511 PolarHBondContact O-N 2.9Å; V495-M511 HydrophobicContact CG2-CG 4.32Å; M511-R513 WeakPolarHBondContact CB-O 3.33Å; M511-R513 PolarHBondContact O-N 2.73Å; M511-R513 VanDerWaalsContact O-N 3.15Å; M511-R515 HydrophobicContact CE-CB 4.02Å; M511-R515 HydrophobicContact CE-CG 4.26Å; M511-F518 HydrophobicContact CE-CE1 4.45Å; M511-F518 HydrophobicContact CE-CZ 4.36Å; M511-V529 HydrophobicContact SD-CB 4.44Å; M511-V529 HydrophobicContact SD-CG1 4.01Å; M511-V529 HydrophobicContact SD-CG2 3.99Å; M511-W548 HydrophobicContact CG-CD2 4.27Å; M511-W548 HydrophobicContact CG-CE3 4.36Å; M511-W548 HydrophobicContact CG-CH2 3.85Å; M511-W548 HydrophobicContact CG-CZ2 3.76Å; M511-W548 HydrophobicContact CG-CZ3 4.15Å
512	L	96.6	Very high	94.5	Very high	100 Å²	100	53.4 Å²	53.4	52%	0.524	29%	0.291	S	S	.	.	S	Bend	trans	-65.4	-19.6	179.4	-54.1	177.5	0	0	0	112.3	E539 W548	L512-E539 WeakPolarHBondContact CB-OE2 3.46Å; L512-E539 HydrophobicContact CD1-CG 4.13Å; L512-E539 HydrophobicContact CG-CG 4.41Å; L512-E539 WeakPolarHBondContact CG-OE2 3.27Å; L512-E539 PolarHBondContact N-OE2 3.13Å; L512-W548 HydrophobicContact CD2-CB 4Å; L512-W548 HydrophobicContact CG-CB 4.05Å
513	R	94.8	Very high	94.6	Very high	88 Å²	88	51.2 Å²	51.2	33%	0.332	28%	0.277	S	S	.	.	S	Bend	trans	-149.4	156.3	176.8	69.4	-166.9	69.3	-162	-3.8	112.2	M511 R515 D535 T537 E539	M511-R513 WeakPolarHBondContact CB-O 3.33Å; M511-R513 PolarHBondContact O-N 2.73Å; M511-R513 VanDerWaalsContact O-N 3.15Å; R513-R515 VanDerWaalsContact CD-NH2 3.34Å; R513-R515 HydrophobicContact CG-CG 3.85Å; R513-D535 WeakPolarHBondContact CD-OD2 3.34Å; R513-D535 IonicContact CZ-OD2 3.41Å; R513-D535 IonicContact NE-OD2 2.71Å; R513-D535 IonicContact NH1-OD1 3.25Å; R513-D535 IonicContact NH1-OD2 3.79Å; R513-D535 PolarHBondContact NH1-OD2 2.89Å; R513-D535 VanDerWaalsContact NH1-OD2 3.07Å; R513-T537 PolarHBondContact NH1-OG1 2.57Å; R513-E539 WeakPolarHBondContact CG-OE1 3.41Å; R513-E539 IonicContact NE-OE1 2.69Å; R513-E539 PolarHBondContact NE-OE1 3.15Å
514	P	96.7	Very high	94.4	Very high	74 Å²	74	52.8 Å²	52.8	48%	0.481	29%	0.286	S	S	.	.			trans	-68.3	135.8	171.7	-19.1	32.8	0	0	0	112.1	T491	T491-P514 HydrophobicContact CG2-CB 3.64Å
515	R	95.8	Very high	94.3	Very high	6 Å²	6	49.7 Å²	49.7	2%	0.023	28%	0.275	C	S	.	.			trans	-141.7	148.2	-179.1	-57.7	177.2	-178.1	-112.1	3.2	112	G484 L492 M511 R513 F518 G531 D535 T537 E539	G484-R515 PolarHBondContact N-O 2.86Å; L492-R515 PolarHBondContact O-N 3.2Å; L492-R515 VanDerWaalsContact O-N 3.17Å; M511-R515 HydrophobicContact CE-CB 4.02Å; M511-R515 HydrophobicContact CE-CG 4.26Å; R513-R515 VanDerWaalsContact CD-NH2 3.34Å; R513-R515 HydrophobicContact CG-CG 3.85Å; R515-F518 HydrophobicContact CB-CD1 3.43Å; R515-F518 VanDerWaalsContact CB-CD1 3.43Å; R515-F518 HydrophobicContact CB-CE1 3.75Å; R515-F518 HydrophobicContact CB-CG 4.22Å; R515-F518 WeakPolarHBondContact O-CE1 3.5Å; R515-G531 PolarHBondContact NH1-O 2.91Å; R515-D535 IonicContact CZ-OD2 3.71Å; R515-D535 IonicContact NH1-OD1 3.13Å; R515-D535 IonicContact NH1-OD2 2.93Å; R515-T537 PolarHBondContact NH1-O 2.94Å; R515-T537 PolarHBondContact NH1-OG1 2.88Å; R515-T537 PolarHBondContact NH2-OG1 2.89Å; R515-E539 IonicContact CZ-OE1 3.77Å; R515-E539 IonicContact NE-OE1 3.78Å; R515-E539 PolarHBondContact NE-OE1 2.95Å; R515-E539 VanDerWaalsContact NH2-CD 3.33Å; R515-E539 IonicContact NH2-OE1 2.92Å; R515-E539 PolarHBondContact NH2-OE1 2.93Å
516	F	94.1	Very high	94.2	Very high	68 Å²	68	52 Å²	52	30%	0.298	29%	0.286	S	S	.	.	S	Bend	trans	-143.5	160.4	162.4	74.5	-81.9	0	0	0	109.5	W469 V485 T491 F518 V533	W469-F516 HydrophobicContact CB-CB 4.34Å; W469-F516 HydrophobicContact CB-CD2 4.45Å; V485-F516 HydrophobicContact CG2-CB 4.03Å; V485-F516 HydrophobicContact CG2-CD2 4.42Å; V485-F516 HydrophobicContact CG2-CG 4.08Å; T491-F516 HydrophobicContact CG2-CB 4.48Å; T491-F516 HydrophobicContact CG2-CD1 3.84Å; F516-F518 PolarHBondContact O-N 3.49Å; F516-V533 HydrophobicContact CD2-CG2 3.87Å; F516-V533 HydrophobicContact CE1-CB 4.19Å; F516-V533 HydrophobicContact CE1-CG2 4.24Å; F516-V533 HydrophobicContact CE2-CB 4.17Å; F516-V533 HydrophobicContact CE2-CG2 3.38Å; F516-V533 HydrophobicContact CG-CG2 4.49Å; F516-V533 HydrophobicContact CZ-CB 3.85Å; F516-V533 HydrophobicContact CZ-CG1 4.15Å; F516-V533 HydrophobicContact CZ-CG2 3.59Å; F516-V533 PolarHBondContact O-N 2.77Å
517	G	91.2	Very high	94.2	Very high	17 Å²	17	47.3 Å²	47.3	18%	0.175	26%	0.264	C	S	.	.	S	Bend	trans	67	18.1	-178.9	0	0	0	0	0	114.6	W469 A560	W469-G517 PolarHBondContact O-N 3.37Å; G517-A560 PolarHBondContact O-N 2.76Å
518	F	95.1	Very high	94.3	Very high	18 Å²	18	41.5 Å²	41.5	8%	0.079	23%	0.234	C	C	.	.			trans	-88.8	174.1	174	62.9	-90.5	0	0	0	110.6	I482 M511 R515 F516 V520 V529 V530 G531	I482-F518 HydrophobicContact CB-CZ 4.34Å; I482-F518 HydrophobicContact CG2-CE2 4.09Å; I482-F518 HydrophobicContact CG2-CZ 3.91Å; I482-F518 VanDerWaalsContact O-CZ 3.27Å; I482-F518 WeakPolarHBondContact O-CZ 3.41Å; M511-F518 HydrophobicContact CE-CE1 4.45Å; M511-F518 HydrophobicContact CE-CZ 4.36Å; R515-F518 HydrophobicContact CB-CD1 3.43Å; R515-F518 VanDerWaalsContact CB-CD1 3.43Å; R515-F518 HydrophobicContact CB-CE1 3.75Å; R515-F518 HydrophobicContact CB-CG 4.22Å; R515-F518 WeakPolarHBondContact O-CE1 3.5Å; F516-F518 PolarHBondContact O-N 3.49Å; F518-V520 HydrophobicContact CD2-CG2 3.83Å; F518-V520 HydrophobicContact CE2-CG2 3.55Å; F518-V529 HydrophobicContact CB-CG1 4.31Å; F518-V529 HydrophobicContact CD2-CB 4.48Å; F518-V529 HydrophobicContact CD2-CG1 3.48Å; F518-V529 VanDerWaalsContact CD2-CG1 3.48Å; F518-V529 HydrophobicContact CD2-CG2 4.49Å; F518-V529 HydrophobicContact CE2-CG1 3.87Å; F518-V529 HydrophobicContact CE2-CG2 4.2Å; F518-V529 HydrophobicContact CG-CG1 3.98Å; F518-V530 WeakPolarHBondContact CB-O 3.47Å; F518-G531 VanDerWaalsContact CB-O 3.24Å; F518-G531 WeakPolarHBondContact CB-O 3.35Å
519	S	95.2	Very high	94.6	Very high	15 Å²	15	40.5 Å²	40.5	11%	0.105	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	154	178.1	-54	0	0	0	0	110.5	V530 S561 V563	S519-V530 PolarHBondContact N-O 2.78Å; S519-V530 PolarHBondContact O-N 2.99Å; S519-S561 WeakPolarHBondContact CB-O 3.24Å; S519-S561 PolarHBondContact OG-N 2.81Å; S519-S561 PolarHBondContact OG-O 2.77Å; S519-V563 VanDerWaalsContact CB-CG2 3.47Å
520	V	95.7	Very high	94.7	Very high	23 Å²	23	38 Å²	38	14%	0.139	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143	179.9	172.6	0	0	0	0	110.6	S471 T473 I482 F518 I527 I528 V529	S471-V520 VanDerWaalsContact CB-CG2 3.41Å; S471-V520 WeakPolarHBondContact OG-CB 3.4Å; S471-V520 WeakPolarHBondContact OG-CG2 3.24Å; T473-V520 HydrophobicContact CG2-CG1 3.86Å; I482-V520 HydrophobicContact CD1-CG2 4.45Å; F518-V520 HydrophobicContact CD2-CG2 3.83Å; F518-V520 HydrophobicContact CE2-CG2 3.55Å; V520-I527 HydrophobicContact CG1-CG2 3.64Å; V520-I528 VanDerWaalsContact CA-O 3.29Å; V520-I528 WeakPolarHBondContact CA-O 3.3Å; V520-V529 HydrophobicContact CG2-CG2 3.87Å
521	C	95.3	Very high	94.6	Very high	9 Å²	9	35.2 Å²	35.2	6%	0.061	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.3	159.6	60.5	0	0	0	0	109.5	I528 V563 I565	C521-I528 PolarHBondContact N-O 2.87Å; C521-I528 PolarHBondContact O-N 3.18Å; C521-V563 HydrophobicContact CB-CG1 4.05Å; C521-I565 HydrophobicContact CB-CB 4.4Å; C521-I565 HydrophobicContact CB-CG2 4.24Å
522	S	94.5	Very high	94.4	Very high	33 Å²	33	34.9 Å²	34.9	23%	0.231	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	153.5	178.4	53.4	0	0	0	0	111.6	T473 E474 E526 I565	T473-S522 PolarHBondContact OG1-OG 2.84Å; E474-S522 WeakPolarHBondContact O-CB 3.4Å; E474-S522 PolarHBondContact O-OG 3.16Å; S522-E526 CarbonylContact C-O 3.53Å; S522-E526 VanDerWaalsContact CA-O 3.27Å; S522-E526 WeakPolarHBondContact CA-O 3.49Å; S522-I565 WeakPolarHBondContact O-CG2 3.23Å
523	T	90.9	Very high	94.2	Very high	42 Å²	42	32.1 Å²	32.1	26%	0.258	18%	0.176	S	C	.	.			trans	-106.7	-162	162.9	67.6	0	0	0	0	108.5	C475 N525 E526 I565	C475-T523 PolarHBondContact SG-O 3.25Å; T523-N525 VanDerWaalsContact C-N 3.3Å; T523-N525 PolarHBondContact OG1-N 3.09Å; T523-E526 PolarHBondContact N-O 3.11Å; T523-E526 PolarHBondContact OG1-N 3.29Å; T523-I565 HydrophobicContact CG2-CD1 3.54Å; T523-I565 HydrophobicContact CG2-CG1 4.16Å; T523-I565 HydrophobicContact CG2-CG2 3.94Å
524	N	85.6	Confident	94	Very high	124 Å²	124	38 Å²	38	66%	0.663	20%	0.198	S	C	*	.	S	Bend	trans	-78.6	-9.5	173	-68.7	-8.6	0	0	0	113.8	D476	D476-N524 WeakPolarHBondContact CB-O 3.47Å
525	N	91	Very high	93.9	Very high	58 Å²	58	35.6 Å²	35.6	31%	0.31	18%	0.181	S	C	.	.	S	Bend	trans	-135.4	-12.6	-178	-174.6	62.3	0	0	0	113.8	T523 D542 I543 T544	T523-N525 VanDerWaalsContact C-N 3.3Å; T523-N525 PolarHBondContact OG1-N 3.09Å; N525-D542 PolarHBondContact ND2-OD1 2.95Å; N525-I543 WeakPolarHBondContact O-CB 3.49Å; N525-I543 WeakPolarHBondContact O-CG1 3.19Å; N525-I543 PolarHBondContact O-N 3.06Å; N525-T544 PolarHBondContact OD1-OG1 3.49Å
526	E	94.1	Very high	93.8	Very high	52 Å²	52	36.6 Å²	36.6	24%	0.243	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.1	-172.2	-60.6	171.7	150.3	0	0	110.9	S522 T523 M540 Y541	S522-E526 CarbonylContact C-O 3.53Å; S522-E526 VanDerWaalsContact CA-O 3.27Å; S522-E526 WeakPolarHBondContact CA-O 3.49Å; T523-E526 PolarHBondContact N-O 3.11Å; T523-E526 PolarHBondContact OG1-N 3.29Å; E526-M540 HydrophobicContact CB-CG 4.2Å; E526-M540 HydrophobicContact CB-SD 4.34Å; E526-M540 HydrophobicContact CG-SD 4.2Å; E526-Y541 VanDerWaalsContact CA-O 3.31Å; E526-Y541 WeakPolarHBondContact CA-O 3.44Å
527	I	97	Very high	93.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.4	171.9	-55.1	172	0	0	0	108.5	T473 C475 Y480 I482 V520 M540 Y541	T473-I527 HydrophobicContact CG2-CD1 4Å; T473-I527 HydrophobicContact CG2-CG1 4.25Å; T473-I527 HydrophobicContact CG2-CG2 3.85Å; C475-I527 HydrophobicContact CB-CD1 3.92Å; C475-I527 HydrophobicContact CB-CG1 3.8Å; Y480-I527 HydrophobicContact CD1-CD1 3.8Å; Y480-I527 HydrophobicContact CD2-CD1 3.57Å; Y480-I527 HydrophobicContact CE1-CD1 4.1Å; Y480-I527 HydrophobicContact CE2-CD1 3.93Å; Y480-I527 HydrophobicContact CG-CD1 3.51Å; I482-I527 HydrophobicContact CD1-CD1 4.49Å; I482-I527 HydrophobicContact CD1-CG2 3.63Å; V520-I527 HydrophobicContact CG1-CG2 3.64Å; I527-M540 CarbonylContact O-C 3.6Å; I527-M540 VanDerWaalsContact O-CA 3.31Å; I527-M540 WeakPolarHBondContact O-CA 3.09Å; I527-Y541 HydrophobicContact CD1-CD1 4.16Å; I527-Y541 PolarHBondContact N-O 2.95Å; I527-Y541 PolarHBondContact O-N 3.19Å
528	I	97.1	Very high	94.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.5	-177.1	-58.1	172.8	0	0	0	109.2	V520 C521 V530 I538 E539 M540 L551 I565 V570 L590	V520-I528 VanDerWaalsContact CA-O 3.29Å; V520-I528 WeakPolarHBondContact CA-O 3.3Å; C521-I528 PolarHBondContact N-O 2.87Å; C521-I528 PolarHBondContact O-N 3.18Å; I528-V530 HydrophobicContact CG2-CG2 3.99Å; I528-I538 HydrophobicContact CG2-CG2 3.6Å; I528-E539 CarbonylContact C-O 3.59Å; I528-E539 WeakPolarHBondContact CA-O 3.28Å; I528-M540 HydrophobicContact CG1-CB 4.28Å; I528-M540 HydrophobicContact CG1-CG 3.95Å; I528-L551 HydrophobicContact CG2-CD1 4.26Å; I528-I565 HydrophobicContact CD1-CD1 3.9Å; I528-V570 HydrophobicContact CD1-CG2 3.56Å; I528-V570 HydrophobicContact CG2-CG2 4.42Å; I528-L590 HydrophobicContact CD1-CD1 3.81Å; I528-L590 HydrophobicContact CD1-CD2 4.18Å
529	V	97.1	Very high	94.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.6	175.9	171.3	0	0	0	0	108.8	I482 M511 F518 V520 I538 E539 W548	I482-V529 HydrophobicContact CG2-CG2 4.04Å; M511-V529 HydrophobicContact SD-CB 4.44Å; M511-V529 HydrophobicContact SD-CG1 4.01Å; M511-V529 HydrophobicContact SD-CG2 3.99Å; F518-V529 HydrophobicContact CB-CG1 4.31Å; F518-V529 HydrophobicContact CD2-CB 4.48Å; F518-V529 HydrophobicContact CD2-CG1 3.48Å; F518-V529 VanDerWaalsContact CD2-CG1 3.48Å; F518-V529 HydrophobicContact CD2-CG2 4.49Å; F518-V529 HydrophobicContact CE2-CG1 3.87Å; F518-V529 HydrophobicContact CE2-CG2 4.2Å; F518-V529 HydrophobicContact CG-CG1 3.98Å; V520-V529 HydrophobicContact CG2-CG2 3.87Å; V529-I538 VanDerWaalsContact O-CA 3.3Å; V529-I538 WeakPolarHBondContact O-CA 3.22Å; V529-I538 WeakPolarHBondContact O-CG2 3.02Å; V529-E539 PolarHBondContact N-O 3.11Å; V529-E539 PolarHBondContact O-N 2.88Å; V529-W548 HydrophobicContact CB-CZ3 4.29Å; V529-W548 HydrophobicContact CG2-CH2 3.7Å; V529-W548 HydrophobicContact CG2-CZ3 3.67Å
530	V	96.9	Very high	94.4	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.2	-175.1	178.8	0	0	0	0	110.7	F518 S519 I528 I538 M554 V563 V570 I572	F518-V530 WeakPolarHBondContact CB-O 3.47Å; S519-V530 PolarHBondContact N-O 2.78Å; S519-V530 PolarHBondContact O-N 2.99Å; I528-V530 HydrophobicContact CG2-CG2 3.99Å; V530-I538 HydrophobicContact CG1-CD1 4.23Å; V530-I538 HydrophobicContact CG1-CG1 4.23Å; V530-I538 HydrophobicContact CG2-CD1 4.34Å; V530-I538 HydrophobicContact CG2-CG1 4.38Å; V530-I538 HydrophobicContact CG2-CG2 4.11Å; V530-M554 HydrophobicContact CG1-CE 4.26Å; V530-M554 HydrophobicContact CG1-SD 3.83Å; V530-V563 HydrophobicContact CB-CG1 4.48Å; V530-V563 HydrophobicContact CB-CG2 4.08Å; V530-V563 HydrophobicContact CG1-CG2 4.14Å; V530-V563 HydrophobicContact CG2-CG1 3.86Å; V530-V563 HydrophobicContact CG2-CG2 4.32Å; V530-V570 HydrophobicContact CG2-CG1 4.21Å; V530-I572 HydrophobicContact CG1-CD1 3.54Å; V530-I572 HydrophobicContact CG1-CG1 4Å; V530-I572 HydrophobicContact CG1-CG2 4.34Å
531	G	94.6	Very high	94.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.			trans	66.8	-141.9	168	0	0	0	0	0	114	R515 F518 D535 T537	R515-G531 PolarHBondContact NH1-O 2.91Å; F518-G531 VanDerWaalsContact CB-O 3.24Å; F518-G531 WeakPolarHBondContact CB-O 3.35Å; G531-D535 CarbonylContact C-O 3.3Å; G531-D535 WeakPolarHBondContact CA-O 3.48Å; G531-T537 PolarHBondContact N-O 3.36Å; G531-T537 VanDerWaalsContact N-O 3.08Å
532	G	92.4	Very high	94.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.01	17%	0.171	C	C	.	.			trans	132.5	176.2	-172.1	0	0	0	0	0	111.2	R534 D535	G532-R534 PolarHBondContact O-N 3Å; G532-R534 VanDerWaalsContact O-N 3.09Å; G532-D535 PolarHBondContact N-O 2.86Å; G532-D535 PolarHBondContact O-N 2.89Å; G532-D535 VanDerWaalsContact O-N 3.11Å
533	V	92.4	Very high	94.2	Very high	43 Å²	43	34.1 Å²	34.1	26%	0.261	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	116.9	178	-177.7	0	0	0	0	109.7	F516 D535 E559	F516-V533 HydrophobicContact CD2-CG2 3.87Å; F516-V533 HydrophobicContact CE1-CB 4.19Å; F516-V533 HydrophobicContact CE1-CG2 4.24Å; F516-V533 HydrophobicContact CE2-CB 4.17Å; F516-V533 HydrophobicContact CE2-CG2 3.38Å; F516-V533 HydrophobicContact CG-CG2 4.49Å; F516-V533 HydrophobicContact CZ-CB 3.85Å; F516-V533 HydrophobicContact CZ-CG1 4.15Å; F516-V533 HydrophobicContact CZ-CG2 3.59Å; F516-V533 PolarHBondContact O-N 2.77Å; V533-D535 PolarHBondContact O-N 3.12Å; V533-E559 WeakPolarHBondContact CG2-OE2 3.47Å
534	R	91.5	Very high	94.1	Very high	210 Å²	210	34.2 Å²	34.2	79%	0.792	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	22	-177.7	-61.6	176.1	-72.8	-176.7	-3.5	114.6	G532	G532-R534 PolarHBondContact O-N 3Å; G532-R534 VanDerWaalsContact O-N 3.09Å
535	D	93.5	Very high	94.4	Very high	25 Å²	25	30.1 Å²	30.1	13%	0.134	15%	0.151	C	C	.	.			trans	-126.1	127.2	177.6	-155.8	-38.5	0	0	0	111.6	R513 R515 G531 G532 V533 T537	R513-D535 WeakPolarHBondContact CD-OD2 3.34Å; R513-D535 IonicContact CZ-OD2 3.41Å; R513-D535 IonicContact NE-OD2 2.71Å; R513-D535 IonicContact NH1-OD1 3.25Å; R513-D535 IonicContact NH1-OD2 3.79Å; R513-D535 PolarHBondContact NH1-OD2 2.89Å; R513-D535 VanDerWaalsContact NH1-OD2 3.07Å; R515-D535 IonicContact CZ-OD2 3.71Å; R515-D535 IonicContact NH1-OD1 3.13Å; R515-D535 IonicContact NH1-OD2 2.93Å; G531-D535 CarbonylContact C-O 3.3Å; G531-D535 WeakPolarHBondContact CA-O 3.48Å; G532-D535 PolarHBondContact N-O 2.86Å; G532-D535 PolarHBondContact O-N 2.89Å; G532-D535 VanDerWaalsContact O-N 3.11Å; V533-D535 PolarHBondContact O-N 3.12Å; D535-T537 VanDerWaalsContact OD1-CB 3.3Å; D535-T537 WeakPolarHBondContact OD1-CB 3.3Å; D535-T537 WeakPolarHBondContact OD1-CG2 3.26Å; D535-T537 PolarHBondContact OD1-N 2.98Å; D535-T537 PolarHBondContact OD1-OG1 3.05Å; D535-T537 PolarHBondContact OD2-OG1 3.16Å
536	S	95	Very high	94.4	Very high	27 Å²	27	28.2 Å²	28.2	19%	0.189	15%	0.145	C	C	.	.			trans	-103.4	-2.1	176.4	60.2	0	0	0	0	113.7	M554	S536-M554 WeakPolarHBondContact O-CB 3.42Å; S536-M554 PolarHBondContact O-N 2.95Å
537	T	96.7	Very high	94.4	Very high	19 Å²	19	32 Å²	32	12%	0.117	16%	0.161	C	C	.	.			trans	-82.7	154.6	-175.1	63.2	0	0	0	0	111.9	R513 R515 G531 D535 K553	R513-T537 PolarHBondContact NH1-OG1 2.57Å; R515-T537 PolarHBondContact NH1-O 2.94Å; R515-T537 PolarHBondContact NH1-OG1 2.88Å; R515-T537 PolarHBondContact NH2-OG1 2.89Å; G531-T537 PolarHBondContact N-O 3.36Å; G531-T537 VanDerWaalsContact N-O 3.08Å; D535-T537 VanDerWaalsContact OD1-CB 3.3Å; D535-T537 WeakPolarHBondContact OD1-CB 3.3Å; D535-T537 WeakPolarHBondContact OD1-CG2 3.26Å; D535-T537 PolarHBondContact OD1-N 2.98Å; D535-T537 PolarHBondContact OD1-OG1 3.05Å; D535-T537 PolarHBondContact OD2-OG1 3.16Å; T537-K553 HydrophobicContact CG2-CB 4.37Å
538	I	96.8	Very high	94.4	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.9	-179.3	-58	-178.4	0	0	0	107.7	I528 V529 V530 L551 M554 I572 L588 W595	I528-I538 HydrophobicContact CG2-CG2 3.6Å; V529-I538 VanDerWaalsContact O-CA 3.3Å; V529-I538 WeakPolarHBondContact O-CA 3.22Å; V529-I538 WeakPolarHBondContact O-CG2 3.02Å; V530-I538 HydrophobicContact CG1-CD1 4.23Å; V530-I538 HydrophobicContact CG1-CG1 4.23Å; V530-I538 HydrophobicContact CG2-CD1 4.34Å; V530-I538 HydrophobicContact CG2-CG1 4.38Å; V530-I538 HydrophobicContact CG2-CG2 4.11Å; I538-L551 HydrophobicContact CB-CB 4.04Å; I538-L551 HydrophobicContact CG2-CB 3.91Å; I538-L551 HydrophobicContact CG2-CD1 3.87Å; I538-L551 HydrophobicContact CG2-CG 4.29Å; I538-L551 PolarHBondContact O-N 2.62Å; I538-M554 HydrophobicContact CD1-CG 4.04Å; I538-M554 HydrophobicContact CG1-CG 4.39Å; I538-I572 HydrophobicContact CD1-CD1 4.01Å; I538-L588 HydrophobicContact CD1-CD2 4.13Å; I538-W595 HydrophobicContact CD1-CH2 3.68Å; I538-W595 HydrophobicContact CD1-CZ2 3.82Å
539	E	97	Very high	94.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.8	178	-69	176.8	-147.5	0	0	109.9	L512 R513 R515 I528 V529 W548 H549	L512-E539 WeakPolarHBondContact CB-OE2 3.46Å; L512-E539 HydrophobicContact CD1-CG 4.13Å; L512-E539 HydrophobicContact CG-CG 4.41Å; L512-E539 WeakPolarHBondContact CG-OE2 3.27Å; L512-E539 PolarHBondContact N-OE2 3.13Å; R513-E539 WeakPolarHBondContact CG-OE1 3.41Å; R513-E539 IonicContact NE-OE1 2.69Å; R513-E539 PolarHBondContact NE-OE1 3.15Å; R515-E539 IonicContact CZ-OE1 3.77Å; R515-E539 IonicContact NE-OE1 3.78Å; R515-E539 PolarHBondContact NE-OE1 2.95Å; R515-E539 VanDerWaalsContact NH2-CD 3.33Å; R515-E539 IonicContact NH2-OE1 2.92Å; R515-E539 PolarHBondContact NH2-OE1 2.93Å; I528-E539 CarbonylContact C-O 3.59Å; I528-E539 WeakPolarHBondContact CA-O 3.28Å; V529-E539 PolarHBondContact N-O 3.11Å; V529-E539 PolarHBondContact O-N 2.88Å; E539-W548 HydrophobicContact CB-CE3 3.84Å; E539-W548 HydrophobicContact CB-CZ3 4.2Å; E539-H549 CarbonylContact C-O 3.57Å; E539-H549 WeakPolarHBondContact CA-O 3.21Å
540	M	96.7	Very high	94.3	Very high	28 Å²	28	40.3 Å²	40.3	14%	0.138	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.2	177.9	-177.8	-177.7	84.5	0	0	109.5	E526 I527 I528 W548 H549 L551	E526-M540 HydrophobicContact CB-CG 4.2Å; E526-M540 HydrophobicContact CB-SD 4.34Å; E526-M540 HydrophobicContact CG-SD 4.2Å; I527-M540 CarbonylContact O-C 3.6Å; I527-M540 VanDerWaalsContact O-CA 3.31Å; I527-M540 WeakPolarHBondContact O-CA 3.09Å; I528-M540 HydrophobicContact CG1-CB 4.28Å; I528-M540 HydrophobicContact CG1-CG 3.95Å; M540-W548 CarbonylContact O-C 3.49Å; M540-W548 WeakPolarHBondContact O-CA 3.31Å; M540-H549 PolarHBondContact N-O 2.91Å; M540-H549 PolarHBondContact O-N 2.99Å; M540-L551 HydrophobicContact CB-CD1 3.93Å; M540-L551 HydrophobicContact CB-CD2 4.25Å; M540-L551 HydrophobicContact CB-CG 3.96Å; M540-L551 HydrophobicContact SD-CD1 4.47Å; M540-L551 HydrophobicContact SD-CD2 4.41Å
541	Y	97.2	Very high	94.2	Very high	14 Å²	14	42 Å²	42	6%	0.055	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	120.2	168.6	-174	-116.2	0	0	0	109	Y480 E526 I527 I543 G546 W548	Y480-Y541 HydrophobicContact CE1-CD1 4.49Å; Y480-Y541 AromaticContact CE1-CE1 3.93Å; Y480-Y541 HydrophobicContact CE1-CE1 3.93Å; E526-Y541 VanDerWaalsContact CA-O 3.31Å; E526-Y541 WeakPolarHBondContact CA-O 3.44Å; I527-Y541 HydrophobicContact CD1-CD1 4.16Å; I527-Y541 PolarHBondContact N-O 2.95Å; I527-Y541 PolarHBondContact O-N 3.19Å; Y541-I543 HydrophobicContact CD1-CG1 3.99Å; Y541-I543 HydrophobicContact CE1-CG1 3.93Å; Y541-G546 WeakPolarHBondContact CE2-O 3.42Å; Y541-W548 AromaticContact CD2-CD1 3.65Å; Y541-W548 AromaticContact CD2-CD2 3.87Å; Y541-W548 HydrophobicContact CD2-CD2 3.87Å; Y541-W548 AromaticContact CD2-CE2 3.54Å; Y541-W548 AromaticContact CD2-CG 3.93Å; Y541-W548 HydrophobicContact CD2-CG 3.93Å; Y541-W548 HydrophobicContact CD2-CZ2 4.08Å; Y541-W548 AromaticContact CD2-NE1 3.38Å; Y541-W548 AromaticContact CE2-NE1 3.89Å; Y541-W548 HydrophobicContact CG-CD2 4.24Å; Y541-W548 AromaticContact CG-CE2 3.89Å; Y541-W548 HydrophobicContact CG-CH2 4.45Å; Y541-W548 AromaticContact CG-CZ2 3.98Å; Y541-W548 HydrophobicContact CG-CZ2 3.98Å
542	D	92.8	Very high	94.2	Very high	31 Å²	31	43.6 Å²	43.6	17%	0.166	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	115.8	169	165.5	27.5	0	0	0	108.4	N525 T544 S545 G546 K547	N525-D542 PolarHBondContact ND2-OD1 2.95Å; D542-T544 VanDerWaalsContact C-N 3.26Å; D542-T544 PolarHBondContact O-N 3.18Å; D542-T544 WeakPolarHBondContact OD1-CB 3.17Å; D542-T544 PolarHBondContact OD1-N 3.28Å; D542-S545 WeakPolarHBondContact CB-OG 3.42Å; D542-S545 VanDerWaalsContact CG-OG 3.29Å; D542-S545 PolarHBondContact O-N 3.27Å; D542-S545 WeakPolarHBondContact OD2-CB 3.32Å; D542-S545 PolarHBondContact OD2-N 3.01Å; D542-S545 PolarHBondContact OD2-OG 2.96Å; D542-G546 WeakPolarHBondContact O-CA 3.2Å; D542-G546 PolarHBondContact O-N 3.41Å; D542-K547 PolarHBondContact N-O 2.89Å; D542-K547 PolarHBondContact O-N 2.97Å
543	I	91.3	Very high	94.4	Very high	38 Å²	38	50.3 Å²	50.3	20%	0.195	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-37.1	-178.8	-68.9	-178.3	0	0	0	110.9	C475 Y480 N525 Y541 S545 G546	C475-I543 HydrophobicContact CB-CD1 3.69Å; C475-I543 WeakPolarHBondContact SG-CD1 3.27Å; Y480-I543 HydrophobicContact CE2-CD1 4.28Å; N525-I543 WeakPolarHBondContact O-CB 3.49Å; N525-I543 WeakPolarHBondContact O-CG1 3.19Å; N525-I543 PolarHBondContact O-N 3.06Å; Y541-I543 HydrophobicContact CD1-CG1 3.99Å; Y541-I543 HydrophobicContact CE1-CG1 3.93Å; I543-S545 PolarHBondContact O-N 2.83Å; I543-G546 PolarHBondContact O-N 3.29Å
544	T	90.3	Very high	94.4	Very high	44 Å²	44	48.4 Å²	48.4	27%	0.27	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-42.7	-176.2	-63.8	0	0	0	0	111.3	N324 N525 D542	N324-T544 PolarHBondContact OD1-O 3.35Å; N324-T544 VanDerWaalsContact OD1-O 3.08Å; N525-T544 PolarHBondContact OD1-OG1 3.49Å; D542-T544 VanDerWaalsContact C-N 3.26Å; D542-T544 PolarHBondContact O-N 3.18Å; D542-T544 WeakPolarHBondContact OD1-CB 3.17Å; D542-T544 PolarHBondContact OD1-N 3.28Å
545	S	91	Very high	94.3	Very high	38 Å²	38	43.5 Å²	43.5	27%	0.266	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-14	177.7	62.9	0	0	0	0	114.3	D542 I543 K547	D542-S545 WeakPolarHBondContact CB-OG 3.42Å; D542-S545 VanDerWaalsContact CG-OG 3.29Å; D542-S545 PolarHBondContact O-N 3.27Å; D542-S545 WeakPolarHBondContact OD2-CB 3.32Å; D542-S545 PolarHBondContact OD2-N 3.01Å; D542-S545 PolarHBondContact OD2-OG 2.96Å; I543-S545 PolarHBondContact O-N 2.83Å; S545-K547 PolarHBondContact O-N 2.96Å
546	G	91.6	Very high	94.1	Very high	18 Å²	18	46.7 Å²	46.7	19%	0.186	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	24.5	-174.5	0	0	0	0	0	113.5	S509 Y541 D542 I543	S509-G546 VanDerWaalsContact CB-O 3.32Å; S509-G546 WeakPolarHBondContact CB-O 3.48Å; S509-G546 PolarHBondContact OG-O 2.86Å; Y541-G546 WeakPolarHBondContact CE2-O 3.42Å; D542-G546 WeakPolarHBondContact O-CA 3.2Å; D542-G546 PolarHBondContact O-N 3.41Å; I543-G546 PolarHBondContact O-N 3.29Å
547	K	94.1	Very high	94	Very high	132 Å²	132	47.2 Å²	47.2	57%	0.574	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.2	-172.6	-71.3	178.1	-174.6	177.2	0	112.7	D542 S545 H549	D542-K547 PolarHBondContact N-O 2.89Å; D542-K547 PolarHBondContact O-N 2.97Å; S545-K547 PolarHBondContact O-N 2.96Å; K547-H549 PolarHBondContact O-ND1 3.02Å
548	W	97.3	Very high	93.8	Very high	21 Å²	21	46.4 Å²	46.4	8%	0.08	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	137.7	171.5	-68.8	91.5	0	0	0	110.9	I482 V495 S509 S510 M511 L512 V529 E539 M540 Y541	I482-W548 HydrophobicContact CG2-CH2 4.33Å; V495-W548 HydrophobicContact CG2-CZ2 3.88Å; S509-W548 PolarHBondContact O-NE1 2.87Å; S510-W548 PolarHBondContact O-NE1 2.89Å; M511-W548 HydrophobicContact CG-CD2 4.27Å; M511-W548 HydrophobicContact CG-CE3 4.36Å; M511-W548 HydrophobicContact CG-CH2 3.85Å; M511-W548 HydrophobicContact CG-CZ2 3.76Å; M511-W548 HydrophobicContact CG-CZ3 4.15Å; L512-W548 HydrophobicContact CD2-CB 4Å; L512-W548 HydrophobicContact CG-CB 4.05Å; V529-W548 HydrophobicContact CB-CZ3 4.29Å; V529-W548 HydrophobicContact CG2-CH2 3.7Å; V529-W548 HydrophobicContact CG2-CZ3 3.67Å; E539-W548 HydrophobicContact CB-CE3 3.84Å; E539-W548 HydrophobicContact CB-CZ3 4.2Å; M540-W548 CarbonylContact O-C 3.49Å; M540-W548 WeakPolarHBondContact O-CA 3.31Å; Y541-W548 AromaticContact CD2-CD1 3.65Å; Y541-W548 AromaticContact CD2-CD2 3.87Å; Y541-W548 HydrophobicContact CD2-CD2 3.87Å; Y541-W548 AromaticContact CD2-CE2 3.54Å; Y541-W548 AromaticContact CD2-CG 3.93Å; Y541-W548 HydrophobicContact CD2-CG 3.93Å; Y541-W548 HydrophobicContact CD2-CZ2 4.08Å; Y541-W548 AromaticContact CD2-NE1 3.38Å; Y541-W548 AromaticContact CE2-NE1 3.89Å; Y541-W548 HydrophobicContact CG-CD2 4.24Å; Y541-W548 AromaticContact CG-CE2 3.89Å; Y541-W548 HydrophobicContact CG-CH2 4.45Å; Y541-W548 AromaticContact CG-CZ2 3.98Å; Y541-W548 HydrophobicContact CG-CZ2 3.98Å
549	H	95.2	Very high	93.6	Very high	80 Å²	80	48.9 Å²	48.9	37%	0.37	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	142.4	177.5	-55.3	91.5	0	0	0	109.5	E539 M540 K547	E539-H549 CarbonylContact C-O 3.57Å; E539-H549 WeakPolarHBondContact CA-O 3.21Å; M540-H549 PolarHBondContact N-O 2.91Å; M540-H549 PolarHBondContact O-N 2.99Å; K547-H549 PolarHBondContact O-ND1 3.02Å
550	S	96	Very high	93.5	Very high	74 Å²	74	49.4 Å²	49.4	52%	0.517	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	133.6	173.9	-170.1	0	0	0	0	110
551	L	95.7	Very high	93.4	Very high	38 Å²	38	48.5 Å²	48.5	20%	0.199	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	178.3	169.1	-61.9	-174.4	0	0	0	110.9	I528 I538 M540 K553 L588 L590	I528-L551 HydrophobicContact CG2-CD1 4.26Å; I538-L551 HydrophobicContact CB-CB 4.04Å; I538-L551 HydrophobicContact CG2-CB 3.91Å; I538-L551 HydrophobicContact CG2-CD1 3.87Å; I538-L551 HydrophobicContact CG2-CG 4.29Å; I538-L551 PolarHBondContact O-N 2.62Å; M540-L551 HydrophobicContact CB-CD1 3.93Å; M540-L551 HydrophobicContact CB-CD2 4.25Å; M540-L551 HydrophobicContact CB-CG 3.96Å; M540-L551 HydrophobicContact SD-CD1 4.47Å; M540-L551 HydrophobicContact SD-CD2 4.41Å; L551-K553 PolarHBondContact O-N 3.2Å; L551-L588 HydrophobicContact CB-CD2 4.4Å; L551-L588 HydrophobicContact CD1-CD2 4.42Å; L551-L590 HydrophobicContact CD1-CD2 3.77Å
552	A	94.6	Very high	93.3	Very high	35 Å²	35	48 Å²	48	29%	0.289	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-58.5	128.7	173.8	0	0	0	0	0	110.4	L588	A552-L588 HydrophobicContact CB-CD1 4.02Å
553	K	94.8	Very high	93.4	Very high	142 Å²	142	47.1 Å²	47.1	62%	0.617	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-70.8	152.4	178.6	65.9	178.1	-177.3	176.6	0	111.8	T537 L551 W595	T537-K553 HydrophobicContact CG2-CB 4.37Å; L551-K553 PolarHBondContact O-N 3.2Å; K553-W595 WeakPolarHBondContact O-CZ2 3.27Å; K553-W595 PolarHBondContact O-NE1 3.13Å; K553-W595 VanDerWaalsContact O-NE1 3.16Å
554	M	94.2	Very high	93.6	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.015	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-64.3	153.3	169.2	-61.5	-175.8	-67.4	0	0	110.7	V530 S536 I538 E556 R558 I572 W595	V530-M554 HydrophobicContact CG1-CE 4.26Å; V530-M554 HydrophobicContact CG1-SD 3.83Å; S536-M554 WeakPolarHBondContact O-CB 3.42Å; S536-M554 PolarHBondContact O-N 2.95Å; I538-M554 HydrophobicContact CD1-CG 4.04Å; I538-M554 HydrophobicContact CG1-CG 4.39Å; M554-E556 VanDerWaalsContact C-N 3.3Å; M554-E556 VanDerWaalsContact CB-O 3.28Å; M554-E556 WeakPolarHBondContact CB-O 3.33Å; M554-R558 HydrophobicContact CE-CB 4.31Å; M554-R558 HydrophobicContact SD-CB 4.47Å; M554-I572 HydrophobicContact CG-CD1 3.95Å; M554-I572 HydrophobicContact SD-CD1 3.73Å; M554-I572 HydrophobicContact SD-CG2 4.13Å; M554-W595 HydrophobicContact CB-CH2 4.45Å; M554-W595 HydrophobicContact CG-CH2 3.74Å; M554-W595 HydrophobicContact CG-CZ2 4.13Å
555	T	88.6	Confident	93.8	Very high	106 Å²	106	44.6 Å²	44.6	65%	0.65	24%	0.242	S	C	*	.	S	Bend	trans	-70.3	-29.9	174.8	53.4	0	0	0	0	112.4
556	E	89.8	Confident	93.9	Very high	93 Å²	93	44.5 Å²	44.5	44%	0.435	24%	0.237	S	C	.	.	S	Bend	trans	-128.2	152.2	179.4	-64.5	-176.3	-176.5	0	0	110.2	M554 N577	M554-E556 VanDerWaalsContact C-N 3.3Å; M554-E556 VanDerWaalsContact CB-O 3.28Å; M554-E556 WeakPolarHBondContact CB-O 3.33Å; E556-N577 PolarHBondContact OE2-ND2 3.24Å
557	V	92.9	Very high	93.9	Very high	37 Å²	37	49.5 Å²	49.5	22%	0.224	26%	0.259	C	S	.	.			trans	-70.8	130.5	169.4	173.3	0	0	0	0	108.7	N577	V557-N577 WeakPolarHBondContact O-CA 3.25Å; V557-N577 VanDerWaalsContact O-CB 3.32Å; V557-N577 WeakPolarHBondContact O-CB 3.35Å
558	R	92.3	Very high	93.7	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.011	25%	0.25	C	C	.	.			trans	-136.6	121.4	173.8	-56.7	-174.4	-176.3	-163.7	9.7	110.3	M554 S561 G574 A576 T584 D586	M554-R558 HydrophobicContact CE-CB 4.31Å; M554-R558 HydrophobicContact SD-CB 4.47Å; R558-S561 WeakPolarHBondContact CB-OG 3.39Å; R558-G574 WeakPolarHBondContact CD-O 3.25Å; R558-G574 PolarHBondContact NH1-O 3.43Å; R558-G574 VanDerWaalsContact NH1-O 3.16Å; R558-A576 WeakPolarHBondContact CA-O 3.36Å; R558-T584 PolarHBondContact NH1-O 2.86Å; R558-T584 PolarHBondContact NH1-OG1 3.3Å; R558-T584 PolarHBondContact NH2-OG1 2.88Å; R558-D586 IonicContact CZ-OD2 3.83Å; R558-D586 IonicContact NE-OD2 3.76Å; R558-D586 IonicContact NH2-OD1 3.24Å; R558-D586 PolarHBondContact NH2-OD1 2.88Å; R558-D586 VanDerWaalsContact NH2-OD1 3.08Å; R558-D586 IonicContact NH2-OD2 3.07Å; R558-D586 PolarHBondContact NH2-OD2 2.88Å
559	E	93.3	Very high	93.6	Very high	51 Å²	51	46.9 Å²	46.9	24%	0.238	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-96.7	152.8	169.5	65.2	175.6	-144.9	0	0	111.3	V533 S561 G575 A576	V533-E559 WeakPolarHBondContact CG2-OE2 3.47Å; E559-S561 VanDerWaalsContact C-N 3.27Å; E559-S561 PolarHBondContact O-N 2.74Å; E559-G575 CarbonylContact O-C 3.44Å; E559-G575 VanDerWaalsContact O-CA 3.24Å; E559-G575 WeakPolarHBondContact O-CA 3.3Å; E559-A576 HydrophobicContact CG-CB 3.95Å; E559-A576 PolarHBondContact N-O 2.83Å; E559-A576 PolarHBondContact O-N 2.74Å
560	A	93	Very high	93.7	Very high	11 Å²	11	43 Å²	43	9%	0.091	24%	0.237	C	C	.	.	S	Bend	trans	50.2	43.5	174.2	0	0	0	0	0	114.3	G517 F607	G517-A560 PolarHBondContact O-N 2.76Å; A560-F607 HydrophobicContact CB-CB 4.36Å; A560-F607 HydrophobicContact CB-CD1 3.44Å; A560-F607 VanDerWaalsContact CB-CD1 3.44Å; A560-F607 HydrophobicContact CB-CD2 3.77Å; A560-F607 HydrophobicContact CB-CE1 3.45Å; A560-F607 VanDerWaalsContact CB-CE1 3.45Å; A560-F607 HydrophobicContact CB-CE2 3.72Å; A560-F607 HydrophobicContact CB-CG 3.6Å; A560-F607 HydrophobicContact CB-CZ 3.57Å; A560-F607 PolarHBondContact O-N 3.23Å
561	S	95	Very high	93.7	Very high	9 Å²	9	41.1 Å²	41.1	6%	0.063	22%	0.219	C	C	.	.			trans	-77.8	157.4	176.6	-56.5	0	0	0	0	111.4	S519 R558 E559 G574	S519-S561 WeakPolarHBondContact CB-O 3.24Å; S519-S561 PolarHBondContact OG-N 2.81Å; S519-S561 PolarHBondContact OG-O 2.77Å; R558-S561 WeakPolarHBondContact CB-OG 3.39Å; E559-S561 VanDerWaalsContact C-N 3.27Å; E559-S561 PolarHBondContact O-N 2.74Å; S561-G574 PolarHBondContact OG-O 3.08Å
562	S	95.3	Very high	93.7	Very high	5 Å²	5	39.3 Å²	39.3	4%	0.035	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	113.1	169.7	-74.3	0	0	0	0	109.6	C573 T610 L619	S562-C573 WeakPolarHBondContact CB-O 3.24Å; S562-C573 PolarHBondContact N-O 3.32Å; S562-C573 PolarHBondContact O-N 2.78Å; S562-T610 VanDerWaalsContact CA-OG1 3.31Å; S562-T610 WeakPolarHBondContact CA-OG1 3.26Å; S562-T610 WeakPolarHBondContact CB-OG1 3.43Å; S562-T610 PolarHBondContact OG-OG1 3.4Å; S562-L619 VanDerWaalsContact CB-CD2 3.5Å; S562-L619 WeakPolarHBondContact OG-CD2 3.38Å
563	V	95.9	Very high	93.8	Very high	11 Å²	11	37.6 Å²	37.6	7%	0.067	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.1	-174.6	-179.9	0	0	0	0	110.9	S519 C521 V530 V570 Y571 I572	S519-V563 VanDerWaalsContact CB-CG2 3.47Å; C521-V563 HydrophobicContact CB-CG1 4.05Å; V530-V563 HydrophobicContact CB-CG1 4.48Å; V530-V563 HydrophobicContact CB-CG2 4.08Å; V530-V563 HydrophobicContact CG1-CG2 4.14Å; V530-V563 HydrophobicContact CG2-CG1 3.86Å; V530-V563 HydrophobicContact CG2-CG2 4.32Å; V563-V570 HydrophobicContact CG1-CG1 3.82Å; V563-Y571 VanDerWaalsContact CA-O 3.28Å; V563-Y571 WeakPolarHBondContact CA-O 3.29Å; V563-I572 HydrophobicContact CG2-CB 4.49Å; V563-I572 HydrophobicContact CG2-CG1 4.26Å; V563-I572 HydrophobicContact CG2-CG2 4.22Å
564	F	95.4	Very high	93.8	Very high	8 Å²	8	30.9 Å²	30.9	4%	0.035	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	161.2	172.7	62.6	-88	0	0	0	110.2	Y571 T610 V617 Y635 L637	F564-Y571 HydrophobicContact CD2-CD2 4.06Å; F564-Y571 HydrophobicContact CD2-CG 4.17Å; F564-Y571 VanDerWaalsContact CE1-CB 3.49Å; F564-Y571 HydrophobicContact CE1-CG 4.16Å; F564-Y571 VanDerWaalsContact CE2-CB 3.5Å; F564-Y571 AromaticContact CE2-CD1 3.93Å; F564-Y571 HydrophobicContact CE2-CD1 3.93Å; F564-Y571 AromaticContact CE2-CD2 3.47Å; F564-Y571 HydrophobicContact CE2-CD2 3.47Å; F564-Y571 VanDerWaalsContact CE2-CD2 3.47Å; F564-Y571 HydrophobicContact CE2-CE2 4.15Å; F564-Y571 AromaticContact CE2-CG 3.36Å; F564-Y571 HydrophobicContact CE2-CG 3.36Å; F564-Y571 AromaticContact CZ-CD1 3.63Å; F564-Y571 HydrophobicContact CZ-CD1 3.63Å; F564-Y571 AromaticContact CZ-CD2 4Å; F564-Y571 HydrophobicContact CZ-CD2 4Å; F564-Y571 HydrophobicContact CZ-CE1 4.46Å; F564-Y571 AromaticContact CZ-CG 3.36Å; F564-Y571 HydrophobicContact CZ-CG 3.36Å; F564-Y571 PolarHBondContact N-O 2.96Å; F564-Y571 PolarHBondContact O-N 2.83Å; F564-T610 HydrophobicContact CD1-CG2 4.27Å; F564-V617 HydrophobicContact CD1-CG1 3.7Å; F564-V617 HydrophobicContact CD1-CG2 4.11Å; F564-V617 HydrophobicContact CD2-CG2 3.85Å; F564-V617 HydrophobicContact CE1-CB 4.3Å; F564-V617 HydrophobicContact CE1-CG1 3.75Å; F564-V617 HydrophobicContact CE1-CG2 3.93Å; F564-V617 HydrophobicContact CE2-CG2 3.67Å; F564-V617 HydrophobicContact CG-CG1 4.28Å; F564-V617 HydrophobicContact CG-CG2 4.07Å; F564-V617 HydrophobicContact CZ-CB 4.45Å; F564-V617 HydrophobicContact CZ-CG1 4.37Å; F564-V617 HydrophobicContact CZ-CG2 3.7Å; F564-Y635 HydrophobicContact CZ-CD1 4.33Å; F564-L637 HydrophobicContact CE2-CD2 3.96Å; F564-L637 HydrophobicContact CZ-CD2 4.48Å
565	I	94.7	Very high	93.9	Very high	22 Å²	22	30.7 Å²	30.7	11%	0.113	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.1	177.4	-175.3	154	0	0	0	110	C521 S522 T523 I528 C569 V570 L590	C521-I565 HydrophobicContact CB-CB 4.4Å; C521-I565 HydrophobicContact CB-CG2 4.24Å; S522-I565 WeakPolarHBondContact O-CG2 3.23Å; T523-I565 HydrophobicContact CG2-CD1 3.54Å; T523-I565 HydrophobicContact CG2-CG1 4.16Å; T523-I565 HydrophobicContact CG2-CG2 3.94Å; I528-I565 HydrophobicContact CD1-CD1 3.9Å; I565-C569 WeakPolarHBondContact CA-O 3.36Å; I565-V570 HydrophobicContact CD1-CG2 4.19Å; I565-L590 HydrophobicContact CD1-CD1 3.65Å
566	H	92.7	Very high	94.1	Very high	35 Å²	35	26.1 Å²	26.1	16%	0.162	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	132.4	175.2	-177.2	75.5	0	0	0	109.3	D568 C569 Y571 L637	H566-D568 PolarHBondContact O-N 3.17Å; H566-C569 PolarHBondContact N-O 2.86Å; H566-C569 WeakPolarHBondContact O-CB 3.42Å; H566-C569 PolarHBondContact O-N 2.8Å; H566-Y571 HydrophobicContact CB-CE2 4.26Å; H566-L637 HydrophobicContact CB-CD1 4.21Å; H566-L637 HydrophobicContact CB-CD2 4.39Å
567	N	90.2	Very high	94.2	Very high	123 Å²	123	23.5 Å²	23.5	66%	0.658	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.1	51.7	179.9	-64.4	-19.2	0	0	0	114	C569	N567-C569 PolarHBondContact O-N 3.05Å; N567-C569 VanDerWaalsContact O-N 3.16Å; N567-C569 PolarHBondContact O-SG 3.3Å
568	D	91.7	Very high	93.9	Very high	71 Å²	71	30.1 Å²	30.1	38%	0.38	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	23.6	-179.3	-51.6	-45.1	0	0	0	114.6	H566 L590 K591	H566-D568 PolarHBondContact O-N 3.17Å; D568-L590 WeakPolarHBondContact O-CB 3.4Å; D568-L590 WeakPolarHBondContact O-CG 3.33Å; D568-L590 PolarHBondContact O-N 3.09Å; D568-K591 HydrophobicContact CB-CD 4.45Å; D568-K591 HydrophobicContact CB-CG 4.35Å; D568-K591 WeakPolarHBondContact OD2-CE 3.5Å; D568-K591 IonicContact OD2-NZ 2.61Å; D568-K591 PolarHBondContact OD2-NZ 3.33Å
569	C	95	Very high	93.7	Very high	27 Å²	27	35.7 Å²	35.7	18%	0.182	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.6	176.6	-62.5	0	0	0	0	110.2	I565 H566 N567 Y571 I587 L588	I565-C569 WeakPolarHBondContact CA-O 3.36Å; H566-C569 PolarHBondContact N-O 2.86Å; H566-C569 WeakPolarHBondContact O-CB 3.42Å; H566-C569 PolarHBondContact O-N 2.8Å; N567-C569 PolarHBondContact O-N 3.05Å; N567-C569 VanDerWaalsContact O-N 3.16Å; N567-C569 PolarHBondContact O-SG 3.3Å; C569-Y571 HydrophobicContact CB-CD2 4.35Å; C569-Y571 HydrophobicContact CB-CE2 3.76Å; C569-Y571 WeakPolarHBondContact O-CD2 3.49Å; C569-I587 HydrophobicContact CB-CG2 3.8Å; C569-L588 CarbonylContact C-O 3.55Å; C569-L588 WeakPolarHBondContact CA-O 3.45Å
570	V	96.4	Very high	93.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.6	175.4	-179	0	0	0	0	108.4	I528 V530 V563 I565 I572 I587 L588 L590	I528-V570 HydrophobicContact CD1-CG2 3.56Å; I528-V570 HydrophobicContact CG2-CG2 4.42Å; V530-V570 HydrophobicContact CG2-CG1 4.21Å; V563-V570 HydrophobicContact CG1-CG1 3.82Å; I565-V570 HydrophobicContact CD1-CG2 4.19Å; V570-I572 HydrophobicContact CG1-CG1 4.28Å; V570-I587 CarbonylContact O-C 3.58Å; V570-I587 WeakPolarHBondContact O-CA 3.47Å; V570-L588 HydrophobicContact CB-CB 4.37Å; V570-L588 PolarHBondContact N-O 2.79Å; V570-L588 PolarHBondContact O-N 3.24Å; V570-L590 HydrophobicContact CG2-CD1 4.21Å; V570-L590 HydrophobicContact CG2-CD2 3.89Å; V570-L590 HydrophobicContact CG2-CG 4.15Å
571	Y	96.6	Very high	93.7	Very high	33 Å²	33	34.6 Å²	34.6	13%	0.129	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.5	178	-70.3	-109.7	0	0	0	109.3	V563 F564 H566 C569 T585 I587 Y635	V563-Y571 VanDerWaalsContact CA-O 3.28Å; V563-Y571 WeakPolarHBondContact CA-O 3.29Å; F564-Y571 HydrophobicContact CD2-CD2 4.06Å; F564-Y571 HydrophobicContact CD2-CG 4.17Å; F564-Y571 VanDerWaalsContact CE1-CB 3.49Å; F564-Y571 HydrophobicContact CE1-CG 4.16Å; F564-Y571 VanDerWaalsContact CE2-CB 3.5Å; F564-Y571 AromaticContact CE2-CD1 3.93Å; F564-Y571 HydrophobicContact CE2-CD1 3.93Å; F564-Y571 AromaticContact CE2-CD2 3.47Å; F564-Y571 HydrophobicContact CE2-CD2 3.47Å; F564-Y571 VanDerWaalsContact CE2-CD2 3.47Å; F564-Y571 HydrophobicContact CE2-CE2 4.15Å; F564-Y571 AromaticContact CE2-CG 3.36Å; F564-Y571 HydrophobicContact CE2-CG 3.36Å; F564-Y571 AromaticContact CZ-CD1 3.63Å; F564-Y571 HydrophobicContact CZ-CD1 3.63Å; F564-Y571 AromaticContact CZ-CD2 4Å; F564-Y571 HydrophobicContact CZ-CD2 4Å; F564-Y571 HydrophobicContact CZ-CE1 4.46Å; F564-Y571 AromaticContact CZ-CG 3.36Å; F564-Y571 HydrophobicContact CZ-CG 3.36Å; F564-Y571 PolarHBondContact N-O 2.96Å; F564-Y571 PolarHBondContact O-N 2.83Å; H566-Y571 HydrophobicContact CB-CE2 4.26Å; C569-Y571 HydrophobicContact CB-CD2 4.35Å; C569-Y571 HydrophobicContact CB-CE2 3.76Å; C569-Y571 WeakPolarHBondContact O-CD2 3.49Å; Y571-T585 HydrophobicContact CD1-CG2 4.21Å; Y571-I587 HydrophobicContact CD1-CD1 3.76Å; Y571-I587 HydrophobicContact CD1-CG1 3.62Å; Y571-I587 HydrophobicContact CD2-CG2 4.46Å; Y571-I587 HydrophobicContact CE1-CD1 3.33Å; Y571-I587 HydrophobicContact CE1-CG1 3.73Å; Y571-I587 HydrophobicContact CE1-CG2 4.39Å; Y571-I587 HydrophobicContact CE2-CG2 4.28Å; Y571-I587 HydrophobicContact CG-CG1 4.23Å; Y571-Y635 HydrophobicContact CE1-CE1 4.45Å
572	I	96.5	Very high	93.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	98.3	-179.7	-52.2	172.6	0	0	0	107.7	V530 I538 M554 V563 V570 T585 D586 W595	V530-I572 HydrophobicContact CG1-CD1 3.54Å; V530-I572 HydrophobicContact CG1-CG1 4Å; V530-I572 HydrophobicContact CG1-CG2 4.34Å; I538-I572 HydrophobicContact CD1-CD1 4.01Å; M554-I572 HydrophobicContact CG-CD1 3.95Å; M554-I572 HydrophobicContact SD-CD1 3.73Å; M554-I572 HydrophobicContact SD-CG2 4.13Å; V563-I572 HydrophobicContact CG2-CB 4.49Å; V563-I572 HydrophobicContact CG2-CG1 4.26Å; V563-I572 HydrophobicContact CG2-CG2 4.22Å; V570-I572 HydrophobicContact CG1-CG1 4.28Å; I572-T585 WeakPolarHBondContact O-CA 3.37Å; I572-D586 HydrophobicContact CB-CB 4.5Å; I572-D586 PolarHBondContact N-O 3.42Å; I572-D586 PolarHBondContact O-N 2.85Å; I572-W595 HydrophobicContact CD1-CH2 3.56Å; I572-W595 HydrophobicContact CD1-CZ3 3.79Å
573	C	96	Very high	93.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.9	-174.9	-57.7	0	0	0	0	110.2	S562 T585 M601 L619	S562-C573 WeakPolarHBondContact CB-O 3.24Å; S562-C573 PolarHBondContact N-O 3.32Å; S562-C573 PolarHBondContact O-N 2.78Å; C573-T585 VanDerWaalsContact SG-CG2 3.57Å; C573-M601 HydrophobicContact CB-CG 4.19Å; C573-M601 HydrophobicContact CB-SD 3.7Å; C573-L619 HydrophobicContact CB-CD1 4.45Å
574	G	95.3	Very high	93.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.208	C	C	.	.			trans	69.1	-141.1	174.8	0	0	0	0	0	114	R558 S561 V582 T584	R558-G574 WeakPolarHBondContact CD-O 3.25Å; R558-G574 PolarHBondContact NH1-O 3.43Å; R558-G574 VanDerWaalsContact NH1-O 3.16Å; S561-G574 PolarHBondContact OG-O 3.08Å; G574-V582 WeakPolarHBondContact CA-O 3.42Å; G574-V582 WeakPolarHBondContact O-CG2 3.43Å; G574-T584 PolarHBondContact N-O 3.04Å
575	G	94.9	Very high	93.8	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.			trans	97	177.6	-172.3	0	0	0	0	0	112.6	E559 C581 V582 R605	E559-G575 CarbonylContact O-C 3.44Å; E559-G575 VanDerWaalsContact O-CA 3.24Å; E559-G575 WeakPolarHBondContact O-CA 3.3Å; G575-C581 WeakPolarHBondContact O-CA 3.46Å; G575-V582 PolarHBondContact O-N 2.86Å; G575-R605 PolarHBondContact N-O 2.93Å
576	A	93.8	Very high	93.8	Very high	10 Å²	10	37 Å²	37	8%	0.083	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-111.9	127.5	171.2	0	0	0	0	0	109.6	R558 E559 A606	R558-A576 WeakPolarHBondContact CA-O 3.36Å; E559-A576 HydrophobicContact CG-CB 3.95Å; E559-A576 PolarHBondContact N-O 2.83Å; E559-A576 PolarHBondContact O-N 2.74Å; A576-A606 HydrophobicContact CB-CB 4.03Å
577	N	91.6	Very high	94	Very high	37 Å²	37	36.2 Å²	36.2	20%	0.198	20%	0.199	C	C	.	.			trans	-95.2	-171.4	167.2	68.3	8.5	0	0	0	109.5	E556 V557 T579 S580	E556-N577 PolarHBondContact OE2-ND2 3.24Å; V557-N577 WeakPolarHBondContact O-CA 3.25Å; V557-N577 VanDerWaalsContact O-CB 3.32Å; V557-N577 WeakPolarHBondContact O-CB 3.35Å; N577-T579 PolarHBondContact O-N 3.39Å; N577-T579 VanDerWaalsContact O-N 3.16Å; N577-T579 PolarHBondContact OD1-N 3.24Å; N577-T579 PolarHBondContact OD1-OG1 2.88Å; N577-S580 PolarHBondContact N-O 3.38Å; N577-S580 VanDerWaalsContact N-O 3.11Å; N577-S580 PolarHBondContact OD1-N 3.1Å; N577-S580 PolarHBondContact OD1-O 2.94Å
578	E	86.6	Confident	94.3	Very high	177 Å²	177	30.5 Å²	30.5	83%	0.827	17%	0.168	S	C	*	.	S	Bend	trans	-62	-22.3	-178.7	-62.9	-174.7	169.8	0	0	113.7
579	T	88	Confident	94.5	Very high	120 Å²	120	28.2 Å²	28.2	74%	0.736	16%	0.158	S	C	*	.	S	Bend	trans	-99.9	-41.2	-176.2	61.4	0	0	0	0	113.2	N577	N577-T579 PolarHBondContact O-N 3.39Å; N577-T579 VanDerWaalsContact O-N 3.16Å; N577-T579 PolarHBondContact OD1-N 3.24Å; N577-T579 PolarHBondContact OD1-OG1 2.88Å
580	S	93.3	Very high	94.4	Very high	37 Å²	37	28.8 Å²	28.8	26%	0.259	16%	0.159	S	C	.	.			trans	-170.6	165.7	-166.1	50.5	0	0	0	0	113.8	N577 N625	N577-S580 PolarHBondContact N-O 3.38Å; N577-S580 VanDerWaalsContact N-O 3.11Å; N577-S580 PolarHBondContact OD1-N 3.1Å; N577-S580 PolarHBondContact OD1-O 2.94Å; S580-N625 VanDerWaalsContact CB-ND2 3.3Å; S580-N625 WeakPolarHBondContact CB-ND2 3.49Å
581	C	94	Very high	94.2	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-64.3	133.3	161.3	-58.1	0	0	0	0	110.6	G575 H604 N624 N625	G575-C581 WeakPolarHBondContact O-CA 3.46Å; C581-H604 HydrophobicContact CB-CB 4.44Å; C581-H604 PolarHBondContact O-ND1 3.44Å; C581-N624 VanDerWaalsContact SG-C 3.59Å; C581-N625 PolarHBondContact N-OD1 2.86Å; C581-N625 PolarHBondContact SG-OD1 2.79Å
582	V	95.2	Very high	94.1	Very high	15 Å²	15	38.8 Å²	38.8	9%	0.091	21%	0.21	C	C	.	.			trans	-108.4	161.7	179.6	-60.7	0	0	0	0	111.3	G574 G575 R605	G574-V582 WeakPolarHBondContact CA-O 3.42Å; G574-V582 WeakPolarHBondContact O-CG2 3.43Å; G575-V582 PolarHBondContact O-N 2.86Å; V582-R605 PolarHBondContact O-N 3.02Å; V582-R605 VanDerWaalsContact O-N 3.07Å
583	N	95.2	Very high	93.9	Very high	37 Å²	37	43.4 Å²	43.4	20%	0.198	24%	0.239	C	C	.	.			trans	-112.9	-0.1	172.6	70	-23.6	0	0	0	113	P600 M601 L603	N583-P600 CarbonylContact O-C 3.54Å; N583-P600 WeakPolarHBondContact O-CA 3.39Å; N583-M601 HydrophobicContact CB-CB 4.3Å; N583-M601 HydrophobicContact CB-CE 4.42Å; N583-M601 PolarHBondContact ND2-O 2.8Å; N583-M601 VanDerWaalsContact ND2-O 3.1Å; N583-M601 PolarHBondContact O-N 3.49Å; N583-L603 WeakPolarHBondContact CB-O 3.28Å
584	T	95.9	Very high	93.8	Very high	49 Å²	49	46.3 Å²	46.3	30%	0.301	26%	0.259	S	S	.	.			trans	-71.5	148.1	-175	54.9	0	0	0	0	112.7	R558 G574	R558-T584 PolarHBondContact NH1-O 2.86Å; R558-T584 PolarHBondContact NH1-OG1 3.3Å; R558-T584 PolarHBondContact NH2-OG1 2.88Å; G574-T584 PolarHBondContact N-O 3.04Å
585	T	96	Very high	93.9	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121	176.1	-57	0	0	0	0	110	Y571 I572 C573 I587 G598 K599	Y571-T585 HydrophobicContact CD1-CG2 4.21Å; I572-T585 WeakPolarHBondContact O-CA 3.37Å; C573-T585 VanDerWaalsContact SG-CG2 3.57Å; T585-I587 HydrophobicContact CG2-CG1 4.22Å; T585-G598 PolarHBondContact O-N 2.85Å; T585-K599 WeakPolarHBondContact CB-O 3.37Å; T585-K599 PolarHBondContact OG1-O 2.84Å
586	D	96.1	Very high	93.9	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.016	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	137.5	173.4	-65.8	-2.6	0	0	0	109	R558 I572 W595 K597	R558-D586 IonicContact CZ-OD2 3.83Å; R558-D586 IonicContact NE-OD2 3.76Å; R558-D586 IonicContact NH2-OD1 3.24Å; R558-D586 PolarHBondContact NH2-OD1 2.88Å; R558-D586 VanDerWaalsContact NH2-OD1 3.08Å; R558-D586 IonicContact NH2-OD2 3.07Å; R558-D586 PolarHBondContact NH2-OD2 2.88Å; I572-D586 HydrophobicContact CB-CB 4.5Å; I572-D586 PolarHBondContact N-O 3.42Å; I572-D586 PolarHBondContact O-N 2.85Å; D586-W595 HydrophobicContact CB-CE3 4.04Å; D586-W595 HydrophobicContact CB-CZ3 3.81Å; D586-K597 VanDerWaalsContact CG-NZ 3.31Å; D586-K597 WeakPolarHBondContact OD1-CD 3.23Å; D586-K597 WeakPolarHBondContact OD1-CE 3.44Å; D586-K597 IonicContact OD1-NZ 3.29Å; D586-K597 PolarHBondContact OD1-NZ 2.81Å; D586-K597 IonicContact OD2-NZ 3.08Å; D586-K597 PolarHBondContact OD2-NZ 3.12Å
587	I	96.8	Very high	94	Very high	17 Å²	17	59 Å²	59	9%	0.087	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.9	-176.8	-53.1	172.2	0	0	0	108.4	C569 V570 Y571 T585 W595 S596	C569-I587 HydrophobicContact CB-CG2 3.8Å; V570-I587 CarbonylContact O-C 3.58Å; V570-I587 WeakPolarHBondContact O-CA 3.47Å; Y571-I587 HydrophobicContact CD1-CD1 3.76Å; Y571-I587 HydrophobicContact CD1-CG1 3.62Å; Y571-I587 HydrophobicContact CD2-CG2 4.46Å; Y571-I587 HydrophobicContact CE1-CD1 3.33Å; Y571-I587 HydrophobicContact CE1-CG1 3.73Å; Y571-I587 HydrophobicContact CE1-CG2 4.39Å; Y571-I587 HydrophobicContact CE2-CG2 4.28Å; Y571-I587 HydrophobicContact CG-CG1 4.23Å; T585-I587 HydrophobicContact CG2-CG1 4.22Å; I587-W595 CarbonylContact O-C 3.46Å; I587-W595 WeakPolarHBondContact O-CA 3.35Å; I587-S596 PolarHBondContact N-O 3.09Å; I587-S596 PolarHBondContact O-N 3.42Å
588	L	96.6	Very high	94.1	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.016	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.6	171.7	174	63.4	0	0	0	109.1	I538 L551 A552 C569 V570 L590 W595	I538-L588 HydrophobicContact CD1-CD2 4.13Å; L551-L588 HydrophobicContact CB-CD2 4.4Å; L551-L588 HydrophobicContact CD1-CD2 4.42Å; A552-L588 HydrophobicContact CB-CD1 4.02Å; C569-L588 CarbonylContact C-O 3.55Å; C569-L588 WeakPolarHBondContact CA-O 3.45Å; V570-L588 HydrophobicContact CB-CB 4.37Å; V570-L588 PolarHBondContact N-O 2.79Å; V570-L588 PolarHBondContact O-N 3.24Å; L588-L590 HydrophobicContact CD2-CD2 4.38Å; L588-W595 HydrophobicContact CB-CD2 4.31Å; L588-W595 HydrophobicContact CB-CE3 4.06Å; L588-W595 HydrophobicContact CB-CH2 3.9Å; L588-W595 HydrophobicContact CB-CZ2 4.16Å; L588-W595 HydrophobicContact CB-CZ3 3.85Å; L588-W595 HydrophobicContact CD1-CD2 4.28Å; L588-W595 HydrophobicContact CD1-CZ2 4.31Å; L588-W595 HydrophobicContact CD2-CZ2 4.25Å; L588-W595 HydrophobicContact CG-CZ2 4.48Å
589	S	95.5	Very high	94.5	Very high	23 Å²	23	52.9 Å²	52.9	16%	0.161	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	122	168.9	-179.1	0	0	0	0	109.8	K591 T592 T593 S594	S589-K591 VanDerWaalsContact C-N 3.28Å; S589-K591 PolarHBondContact O-N 3.12Å; S589-T592 VanDerWaalsContact CB-OG1 3.27Å; S589-T592 WeakPolarHBondContact CB-OG1 3.27Å; S589-T592 PolarHBondContact OG-OG1 3.15Å; S589-T593 WeakPolarHBondContact O-CA 3.23Å; S589-T593 PolarHBondContact O-N 3.03Å; S589-S594 PolarHBondContact N-O 2.82Å
590	L	93.1	Very high	94.9	Very high	39 Å²	39	50.4 Å²	50.4	20%	0.204	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-26.6	178.4	-61.2	179.1	0	0	0	112.2	I528 L551 I565 D568 V570 L588	I528-L590 HydrophobicContact CD1-CD1 3.81Å; I528-L590 HydrophobicContact CD1-CD2 4.18Å; L551-L590 HydrophobicContact CD1-CD2 3.77Å; I565-L590 HydrophobicContact CD1-CD1 3.65Å; D568-L590 WeakPolarHBondContact O-CB 3.4Å; D568-L590 WeakPolarHBondContact O-CG 3.33Å; D568-L590 PolarHBondContact O-N 3.09Å; V570-L590 HydrophobicContact CG2-CD1 4.21Å; V570-L590 HydrophobicContact CG2-CD2 3.89Å; V570-L590 HydrophobicContact CG2-CG 4.15Å; L588-L590 HydrophobicContact CD2-CD2 4.38Å
591	K	91.8	Very high	95	Very high	157 Å²	157	48.8 Å²	48.8	68%	0.683	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-47.1	178.7	-72.7	177.1	176.1	152.2	0	113.1	D568 S589	D568-K591 HydrophobicContact CB-CD 4.45Å; D568-K591 HydrophobicContact CB-CG 4.35Å; D568-K591 WeakPolarHBondContact OD2-CE 3.5Å; D568-K591 IonicContact OD2-NZ 2.61Å; D568-K591 PolarHBondContact OD2-NZ 3.33Å; S589-K591 VanDerWaalsContact C-N 3.28Å; S589-K591 PolarHBondContact O-N 3.12Å
592	T	93.7	Very high	94.9	Very high	86 Å²	86	52.8 Å²	52.8	53%	0.528	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-8.6	-175.1	58.4	0	0	0	0	112.9	S589 S594	S589-T592 VanDerWaalsContact CB-OG1 3.27Å; S589-T592 WeakPolarHBondContact CB-OG1 3.27Å; S589-T592 PolarHBondContact OG-OG1 3.15Å; T592-S594 PolarHBondContact O-N 2.86Å; T592-S594 VanDerWaalsContact O-N 3.12Å; T592-S594 PolarHBondContact OG1-N 2.79Å; T592-S594 PolarHBondContact OG1-OG 2.6Å
593	T	92.1	Very high	94.8	Very high	98 Å²	98	54.4 Å²	54.4	60%	0.601	30%	0.295	S	S	*	.			trans	56.7	19.8	-172.3	66.9	0	0	0	0	113.8	S589	S589-T593 WeakPolarHBondContact O-CA 3.23Å; S589-T593 PolarHBondContact O-N 3.03Å
594	S	95	Very high	94.7	Very high	60 Å²	60	57.1 Å²	57.1	42%	0.42	31%	0.307	S	S	.	.			trans	-98.9	145.8	-177.6	66.3	0	0	0	0	111.9	S589 T592	S589-S594 PolarHBondContact N-O 2.82Å; T592-S594 PolarHBondContact O-N 2.86Å; T592-S594 VanDerWaalsContact O-N 3.12Å; T592-S594 PolarHBondContact OG1-N 2.79Å; T592-S594 PolarHBondContact OG1-OG 2.6Å
595	W	96.6	Very high	94.6	Very high	72 Å²	72	55.1 Å²	55.1	27%	0.273	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	141.9	174	-71.7	95.6	0	0	0	111.9	I538 K553 M554 I572 D586 I587 L588	I538-W595 HydrophobicContact CD1-CH2 3.68Å; I538-W595 HydrophobicContact CD1-CZ2 3.82Å; K553-W595 WeakPolarHBondContact O-CZ2 3.27Å; K553-W595 PolarHBondContact O-NE1 3.13Å; K553-W595 VanDerWaalsContact O-NE1 3.16Å; M554-W595 HydrophobicContact CB-CH2 4.45Å; M554-W595 HydrophobicContact CG-CH2 3.74Å; M554-W595 HydrophobicContact CG-CZ2 4.13Å; I572-W595 HydrophobicContact CD1-CH2 3.56Å; I572-W595 HydrophobicContact CD1-CZ3 3.79Å; D586-W595 HydrophobicContact CB-CE3 4.04Å; D586-W595 HydrophobicContact CB-CZ3 3.81Å; I587-W595 CarbonylContact O-C 3.46Å; I587-W595 WeakPolarHBondContact O-CA 3.35Å; L588-W595 HydrophobicContact CB-CD2 4.31Å; L588-W595 HydrophobicContact CB-CE3 4.06Å; L588-W595 HydrophobicContact CB-CH2 3.9Å; L588-W595 HydrophobicContact CB-CZ2 4.16Å; L588-W595 HydrophobicContact CB-CZ3 3.85Å; L588-W595 HydrophobicContact CD1-CD2 4.28Å; L588-W595 HydrophobicContact CD1-CZ2 4.31Å; L588-W595 HydrophobicContact CD2-CZ2 4.25Å; L588-W595 HydrophobicContact CG-CZ2 4.48Å
596	S	95.8	Very high	94.5	Very high	64 Å²	64	55 Å²	55	45%	0.448	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	165.5	166.8	65.5	0	0	0	0	110.5	I587	I587-S596 PolarHBondContact N-O 3.09Å; I587-S596 PolarHBondContact O-N 3.42Å
597	K	95.4	Very high	94.3	Very high	140 Å²	140	56.7 Å²	56.7	61%	0.609	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.4	174.9	-65.4	-67.6	-179.5	176.6	0	109.2	D586	D586-K597 VanDerWaalsContact CG-NZ 3.31Å; D586-K597 WeakPolarHBondContact OD1-CD 3.23Å; D586-K597 WeakPolarHBondContact OD1-CE 3.44Å; D586-K597 IonicContact OD1-NZ 3.29Å; D586-K597 PolarHBondContact OD1-NZ 2.81Å; D586-K597 IonicContact OD2-NZ 3.08Å; D586-K597 PolarHBondContact OD2-NZ 3.12Å
598	G	94	Very high	94.2	Very high	19 Å²	19	56.5 Å²	56.5	20%	0.196	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	176.9	172.2	0	0	0	0	0	112.1	T585	T585-G598 PolarHBondContact O-N 2.85Å
599	K	95.3	Very high	94.1	Very high	67 Å²	67	56.6 Å²	56.6	29%	0.291	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-62	128	173.1	-167.4	169.7	-172	164.3	0	109.9	T585 Y635 N640 E641 W642	T585-K599 WeakPolarHBondContact CB-O 3.37Å; T585-K599 PolarHBondContact OG1-O 2.84Å; K599-Y635 HydrophobicContact CB-CE2 4.38Å; K599-N640 WeakPolarHBondContact CD-O 3.46Å; K599-E641 IonicContact NZ-OE1 3.24Å; K599-E641 PolarHBondContact NZ-OE1 3.47Å; K599-E641 IonicContact NZ-OE2 2.74Å; K599-E641 PolarHBondContact NZ-OE2 2.89Å; K599-W642 PolarHBondContact O-NE1 2.78Å
600	P	96	Very high	94	Very high	68 Å²	68	57.1 Å²	57.1	44%	0.442	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-65.3	148	177.7	27.7	-34.6	0	0	0	110.6	N583	N583-P600 CarbonylContact O-C 3.54Å; N583-P600 WeakPolarHBondContact O-CA 3.39Å
601	M	95.4	Very high	94.1	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.015	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-63.4	156.9	170.3	-54.4	-177	-60.1	0	0	110.4	C573 N583 L603 R605 L619 W642	C573-M601 HydrophobicContact CB-CG 4.19Å; C573-M601 HydrophobicContact CB-SD 3.7Å; N583-M601 HydrophobicContact CB-CB 4.3Å; N583-M601 HydrophobicContact CB-CE 4.42Å; N583-M601 PolarHBondContact ND2-O 2.8Å; N583-M601 VanDerWaalsContact ND2-O 3.1Å; N583-M601 PolarHBondContact O-N 3.49Å; M601-L603 VanDerWaalsContact C-N 3.31Å; M601-L603 WeakPolarHBondContact CE-O 3.48Å; M601-L603 PolarHBondContact O-N 3.17Å; M601-R605 HydrophobicContact CE-CB 4.22Å; M601-L619 HydrophobicContact CG-CD1 4.17Å; M601-L619 HydrophobicContact SD-CD1 3.18Å; M601-L619 WeakPolarHBondContact SD-CD1 3.44Å; M601-W642 HydrophobicContact CG-CD2 4.49Å; M601-W642 HydrophobicContact CG-CH2 4Å; M601-W642 HydrophobicContact CG-CZ2 3.76Å; M601-W642 HydrophobicContact CG-CZ3 4.42Å
602	I	92.5	Very high	94.1	Very high	86 Å²	86	54 Å²	54	44%	0.441	29%	0.289	S	S	.	.	S	Bend	trans	-67.8	-37.3	176.8	-60.5	166.4	0	0	0	110.2	Q633 W642 V644	I602-Q633 VanDerWaalsContact CB-OE1 3.3Å; I602-W642 HydrophobicContact CD1-CB 4.05Å; I602-W642 HydrophobicContact CG1-CB 3.97Å; I602-V644 HydrophobicContact CB-CG2 4.45Å; I602-V644 HydrophobicContact CD1-CG2 3.87Å; I602-V644 HydrophobicContact CG2-CG2 4.23Å
603	L	91.2	Very high	94	Very high	48 Å²	48	50.5 Å²	50.5	25%	0.251	27%	0.267	S	S	.	.	S	Bend	trans	-112.2	140.5	-175.1	-53.8	173.2	0	0	0	112.3	N583 M601 R605 L631 Q633	N583-L603 WeakPolarHBondContact CB-O 3.28Å; M601-L603 VanDerWaalsContact C-N 3.31Å; M601-L603 WeakPolarHBondContact CE-O 3.48Å; M601-L603 PolarHBondContact O-N 3.17Å; L603-R605 PolarHBondContact O-N 3.18Å; L603-L631 HydrophobicContact CD1-CB 4.31Å; L603-L631 HydrophobicContact CD1-CD1 3.79Å; L603-Q633 HydrophobicContact CD1-CG 4.18Å
604	H	94	Very high	93.7	Very high	95 Å²	95	49.1 Å²	49.1	44%	0.44	26%	0.256	S	S	.	.			trans	-69	121.1	166.1	-71.3	-107.1	0	0	0	109.8	C581 N624	C581-H604 HydrophobicContact CB-CB 4.44Å; C581-H604 PolarHBondContact O-ND1 3.44Å; H604-N624 WeakPolarHBondContact O-CB 3.45Å
605	R	92.9	Very high	93.4	Very high	7 Å²	7	48.2 Å²	48.2	3%	0.026	25%	0.246	C	C	.	.			trans	-154.6	134.7	-166.4	-168.2	173.6	-82.6	-148	1.3	113.5	G575 V582 M601 L603 A608 G621 R623 S629 L631	G575-R605 PolarHBondContact N-O 2.93Å; V582-R605 PolarHBondContact O-N 3.02Å; V582-R605 VanDerWaalsContact O-N 3.07Å; M601-R605 HydrophobicContact CE-CB 4.22Å; L603-R605 PolarHBondContact O-N 3.18Å; R605-A608 HydrophobicContact CG-CB 3.88Å; R605-G621 WeakPolarHBondContact CD-O 3.35Å; R605-G621 PolarHBondContact NE-O 2.79Å; R605-G621 PolarHBondContact NH1-O 3.24Å; R605-R623 WeakPolarHBondContact CA-O 3.42Å; R605-S629 PolarHBondContact NH2-OG 2.83Å; R605-L631 PolarHBondContact NH1-O 3.29Å; R605-L631 PolarHBondContact NH2-O 2.74Å
606	A	93.8	Very high	93.2	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-126.1	163.9	165.1	0	0	0	0	0	110	A576 A608 G622 R623	A576-A606 HydrophobicContact CB-CB 4.03Å; A606-A608 PolarHBondContact O-N 2.86Å; A606-G622 CarbonylContact O-C 3.57Å; A606-G622 VanDerWaalsContact O-CA 3.24Å; A606-G622 WeakPolarHBondContact O-CA 3.2Å; A606-R623 PolarHBondContact N-O 2.93Å; A606-R623 PolarHBondContact O-N 3.09Å
607	F	93.4	Very high	93.2	Very high	39 Å²	39	43 Å²	43	17%	0.171	22%	0.217	C	C	.	.	S	Bend	trans	59.7	30.8	177.3	-54.5	-92.6	0	0	0	114	A560 G622 R623 N655	A560-F607 HydrophobicContact CB-CB 4.36Å; A560-F607 HydrophobicContact CB-CD1 3.44Å; A560-F607 VanDerWaalsContact CB-CD1 3.44Å; A560-F607 HydrophobicContact CB-CD2 3.77Å; A560-F607 HydrophobicContact CB-CE1 3.45Å; A560-F607 VanDerWaalsContact CB-CE1 3.45Å; A560-F607 HydrophobicContact CB-CE2 3.72Å; A560-F607 HydrophobicContact CB-CG 3.6Å; A560-F607 HydrophobicContact CB-CZ 3.57Å; A560-F607 PolarHBondContact O-N 3.23Å; F607-G622 VanDerWaalsContact O-CA 3.25Å; F607-G622 WeakPolarHBondContact O-CA 3.37Å; F607-R623 HydrophobicContact CD2-CG 4.09Å; F607-R623 VanDerWaalsContact CD2-NE 3.29Å; F607-N655 HydrophobicContact CB-CB 4.23Å; F607-N655 HydrophobicContact CD1-CB 4.28Å; F607-N655 PolarHBondContact O-N 2.97Å
608	A	94.2	Very high	93.1	Very high	12 Å²	12	36.3 Å²	36.3	10%	0.099	19%	0.188	C	C	.	.			trans	-86.9	139.1	175.6	0	0	0	0	0	110.7	R605 A606 G621	R605-A608 HydrophobicContact CG-CB 3.88Å; A606-A608 PolarHBondContact O-N 2.86Å; A608-G621 WeakPolarHBondContact CB-O 3.37Å
609	A	94.1	Very high	93.2	Very high	6 Å²	6	35.4 Å²	35.4	5%	0.05	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	137.3	169.5	0	0	0	0	0	109.3	L619 I620 C656 S658	A609-L619 WeakPolarHBondContact O-CA 3.5Å; A609-I620 HydrophobicContact CB-CB 4.35Å; A609-I620 PolarHBondContact N-O 3.44Å; A609-I620 PolarHBondContact O-N 3.49Å; A609-C656 VanDerWaalsContact CB-SG 3.56Å; A609-S658 VanDerWaalsContact CB-OG 3.3Å; A609-S658 WeakPolarHBondContact CB-OG 3.32Å
610	T	94.5	Very high	93.2	Very high	33 Å²	33	32.2 Å²	32.2	20%	0.202	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130	-172.2	-53.8	0	0	0	0	109.1	S562 F564 V617 F618 L619	S562-T610 VanDerWaalsContact CA-OG1 3.31Å; S562-T610 WeakPolarHBondContact CA-OG1 3.26Å; S562-T610 WeakPolarHBondContact CB-OG1 3.43Å; S562-T610 PolarHBondContact OG-OG1 3.4Å; F564-T610 HydrophobicContact CD1-CG2 4.27Å; T610-V617 HydrophobicContact CG2-CG1 4.05Å; T610-F618 CarbonylContact C-O 3.57Å; T610-F618 WeakPolarHBondContact CA-O 3.39Å; T610-L619 HydrophobicContact CG2-CD2 3.61Å; T610-L619 WeakPolarHBondContact OG1-CD2 3.47Å
611	R	94	Very high	93	Very high	72 Å²	72	29 Å²	29	27%	0.272	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	126.9	176.4	-166	60	-178.4	173.9	4.4	112.3	L344 F618 T660	L344-R611 HydrophobicContact CD1-CB 4.15Å; L344-R611 HydrophobicContact CD1-CG 4.23Å; R611-F618 PolarHBondContact N-O 3.15Å; R611-F618 PolarHBondContact O-N 2.81Å; R611-T660 HydrophobicContact CG-CG2 3.54Å; R611-T660 VanDerWaalsContact CZ-OG1 3.31Å; R611-T660 PolarHBondContact NE-OG1 2.81Å; R611-T660 PolarHBondContact NH2-OG1 3.36Å
612	L	92.4	Very high	92.9	Very high	58 Å²	58	28.8 Å²	28.8	30%	0.304	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	136.1	170.9	-175.4	70.3	0	0	0	109.4	V617 L637	L612-V617 HydrophobicContact CD1-CG2 3.56Å; L612-L637 HydrophobicContact CD1-CD1 3.63Å
613	W	90.6	Very high	92.9	Very high	14 Å²	14	28.5 Å²	28.5	5%	0.053	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	118.7	172.2	172.3	75.5	0	0	0	108.6	T342 I365 E367 P404 D615 Y616 F618 T660	T342-W613 PolarHBondContact OG1-NE1 3Å; T342-W613 VanDerWaalsContact OG1-NE1 3.11Å; I365-W613 HydrophobicContact CB-CH2 4.2Å; I365-W613 HydrophobicContact CB-CZ2 4.08Å; I365-W613 HydrophobicContact CD1-CB 4.49Å; I365-W613 HydrophobicContact CD1-CD2 3.95Å; I365-W613 HydrophobicContact CD1-CG 3.93Å; I365-W613 HydrophobicContact CG2-CD2 4.1Å; I365-W613 HydrophobicContact CG2-CE3 3.82Å; I365-W613 HydrophobicContact CG2-CH2 3.28Å; I365-W613 HydrophobicContact CG2-CZ2 3.65Å; I365-W613 HydrophobicContact CG2-CZ3 3.43Å; I365-W613 VanDerWaalsContact CG2-CZ3 3.43Å; E367-W613 HydrophobicContact CG-CH2 3.35Å; E367-W613 HydrophobicContact CG-CZ2 4.21Å; E367-W613 HydrophobicContact CG-CZ3 4.03Å; P404-W613 HydrophobicContact CB-CZ3 3.92Å; P404-W613 HydrophobicContact CG-CZ3 4.4Å; W613-D615 PolarHBondContact O-N 2.95Å; W613-Y616 AromaticContact CE3-CD2 3.86Å; W613-Y616 HydrophobicContact CE3-CD2 3.86Å; W613-Y616 AromaticContact CZ3-CD2 3.75Å; W613-Y616 HydrophobicContact CZ3-CD2 3.75Å; W613-Y616 HydrophobicContact CZ3-CE2 4.25Å; W613-Y616 PolarHBondContact N-O 2.98Å; W613-Y616 PolarHBondContact O-N 3.1Å; W613-Y616 VanDerWaalsContact O-O 3.11Å; W613-F618 HydrophobicContact CB-CD2 4.39Å; W613-F618 HydrophobicContact CB-CE2 3.85Å; W613-F618 HydrophobicContact CD2-CE2 4.42Å; W613-F618 HydrophobicContact CE3-CE2 4.04Å; W613-F618 HydrophobicContact CE3-CZ 4.18Å; W613-F618 HydrophobicContact CG-CE2 4.4Å; W613-T660 HydrophobicContact CB-CG2 4.48Å
614	N	87.1	Confident	92.9	Very high	69 Å²	69	29 Å²	29	37%	0.369	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	-123.5	-168.6	-60.8	-14.1	0	0	0	110.2	T339 E367	T339-N614 WeakPolarHBondContact CG2-ND2 3.29Å; E367-N614 PolarHBondContact OE1-ND2 2.76Å
615	D	88.5	Confident	92.6	Very high	41 Å²	41	29 Å²	29	22%	0.219	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	12.8	177.5	-55.5	-66.1	0	0	0	113.3	W613 L637 K638	W613-D615 PolarHBondContact O-N 2.95Å; D615-L637 HydrophobicContact CB-CB 4.35Å; D615-L637 VanDerWaalsContact O-CB 3.31Å; D615-L637 WeakPolarHBondContact O-CB 3.44Å; D615-L637 WeakPolarHBondContact O-CG 3.32Å; D615-L637 PolarHBondContact O-N 3.28Å; D615-K638 HydrophobicContact CB-CD 4.13Å; D615-K638 HydrophobicContact CB-CG 4.09Å; D615-K638 WeakPolarHBondContact OD2-CE 3.26Å; D615-K638 IonicContact OD2-NZ 3.87Å; D615-K638 PolarHBondContact OD2-NZ 3.03Å
616	Y	92.3	Very high	92.3	Very high	25 Å²	25	36.8 Å²	36.8	10%	0.098	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	138.4	-179.7	-60.1	-80.9	0	0	0	111.8	T402 F403 P404 W613 Y635 N636	T402-Y616 PolarHBondContact O-OH 2.83Å; F403-Y616 HydrophobicContact CD1-CD1 4.47Å; F403-Y616 HydrophobicContact CD1-CE1 4.3Å; P404-Y616 VanDerWaalsContact CD-CD1 3.47Å; P404-Y616 HydrophobicContact CG-CD1 4.15Å; P404-Y616 HydrophobicContact CG-CD2 4.34Å; P404-Y616 HydrophobicContact CG-CG 4.03Å; W613-Y616 AromaticContact CE3-CD2 3.86Å; W613-Y616 HydrophobicContact CE3-CD2 3.86Å; W613-Y616 AromaticContact CZ3-CD2 3.75Å; W613-Y616 HydrophobicContact CZ3-CD2 3.75Å; W613-Y616 HydrophobicContact CZ3-CE2 4.25Å; W613-Y616 PolarHBondContact N-O 2.98Å; W613-Y616 PolarHBondContact O-N 3.1Å; W613-Y616 VanDerWaalsContact O-O 3.11Å; Y616-Y635 CarbonylContact C-O 3.55Å; Y616-Y635 VanDerWaalsContact CA-O 3.29Å; Y616-Y635 WeakPolarHBondContact CA-O 3.4Å; Y616-N636 HydrophobicContact CD1-CB 4.03Å; Y616-N636 HydrophobicContact CE1-CB 3.84Å; Y616-N636 WeakPolarHBondContact CE1-ND2 3.43Å
617	V	94.8	Very high	92.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.1	173	-180	0	0	0	0	109.3	F564 T610 L612 L619 T634 Y635 L637	F564-V617 HydrophobicContact CD1-CG1 3.7Å; F564-V617 HydrophobicContact CD1-CG2 4.11Å; F564-V617 HydrophobicContact CD2-CG2 3.85Å; F564-V617 HydrophobicContact CE1-CB 4.3Å; F564-V617 HydrophobicContact CE1-CG1 3.75Å; F564-V617 HydrophobicContact CE1-CG2 3.93Å; F564-V617 HydrophobicContact CE2-CG2 3.67Å; F564-V617 HydrophobicContact CG-CG1 4.28Å; F564-V617 HydrophobicContact CG-CG2 4.07Å; F564-V617 HydrophobicContact CZ-CB 4.45Å; F564-V617 HydrophobicContact CZ-CG1 4.37Å; F564-V617 HydrophobicContact CZ-CG2 3.7Å; T610-V617 HydrophobicContact CG2-CG1 4.05Å; L612-V617 HydrophobicContact CD1-CG2 3.56Å; V617-L619 HydrophobicContact CG1-CD2 4.13Å; V617-T634 CarbonylContact O-C 3.55Å; V617-T634 WeakPolarHBondContact O-CA 3.29Å; V617-Y635 PolarHBondContact N-O 2.81Å; V617-Y635 PolarHBondContact O-N 2.92Å; V617-L637 HydrophobicContact CG2-CD1 4.11Å; V617-L637 HydrophobicContact CG2-CG 4.4Å
618	F	94.9	Very high	92	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.7	174.8	-59.9	-81	0	0	0	111	L344 I365 P404 L406 T610 R611 W613 I620 I632 Q633 L645	L344-F618 HydrophobicContact CD2-CB 4.42Å; L344-F618 HydrophobicContact CD2-CD1 4.35Å; L344-F618 HydrophobicContact CD2-CD2 4.44Å; L344-F618 HydrophobicContact CD2-CG 4.17Å; I365-F618 HydrophobicContact CD1-CE2 4.06Å; I365-F618 HydrophobicContact CD1-CZ 4.36Å; I365-F618 HydrophobicContact CG2-CZ 4.11Å; P404-F618 HydrophobicContact CB-CE1 4.47Å; P404-F618 HydrophobicContact CB-CZ 4.15Å; P404-F618 HydrophobicContact CG-CE1 3.61Å; P404-F618 HydrophobicContact CG-CZ 3.52Å; L406-F618 HydrophobicContact CD1-CE1 4.48Å; L406-F618 HydrophobicContact CD2-CE1 4.18Å; L406-F618 HydrophobicContact CD2-CZ 4.35Å; T610-F618 CarbonylContact C-O 3.57Å; T610-F618 WeakPolarHBondContact CA-O 3.39Å; R611-F618 PolarHBondContact N-O 3.15Å; R611-F618 PolarHBondContact O-N 2.81Å; W613-F618 HydrophobicContact CB-CD2 4.39Å; W613-F618 HydrophobicContact CB-CE2 3.85Å; W613-F618 HydrophobicContact CD2-CE2 4.42Å; W613-F618 HydrophobicContact CE3-CE2 4.04Å; W613-F618 HydrophobicContact CE3-CZ 4.18Å; W613-F618 HydrophobicContact CG-CE2 4.4Å; F618-I620 HydrophobicContact CB-CD1 4.3Å; F618-I620 HydrophobicContact CB-CG1 4.16Å; F618-I632 HydrophobicContact CD1-CG2 4.19Å; F618-Q633 CarbonylContact C-O 3.6Å; F618-Q633 WeakPolarHBondContact CA-O 3.33Å; F618-L645 HydrophobicContact CD1-CD1 4.08Å; F618-L645 HydrophobicContact CE1-CD1 3.86Å
619	L	95.2	Very high	91.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.3	168.8	-57.4	-169.7	0	0	0	110	S562 C573 M601 A609 T610 V617 I632 Q633 W642	S562-L619 VanDerWaalsContact CB-CD2 3.5Å; S562-L619 WeakPolarHBondContact OG-CD2 3.38Å; C573-L619 HydrophobicContact CB-CD1 4.45Å; M601-L619 HydrophobicContact CG-CD1 4.17Å; M601-L619 HydrophobicContact SD-CD1 3.18Å; M601-L619 WeakPolarHBondContact SD-CD1 3.44Å; A609-L619 WeakPolarHBondContact O-CA 3.5Å; T610-L619 HydrophobicContact CG2-CD2 3.61Å; T610-L619 WeakPolarHBondContact OG1-CD2 3.47Å; V617-L619 HydrophobicContact CG1-CD2 4.13Å; L619-I632 WeakPolarHBondContact O-CA 3.47Å; L619-Q633 HydrophobicContact CB-CB 4.28Å; L619-Q633 PolarHBondContact N-O 2.73Å; L619-Q633 PolarHBondContact O-N 2.88Å; L619-W642 HydrophobicContact CD1-CH2 3.47Å; L619-W642 VanDerWaalsContact CD1-CH2 3.47Å; L619-W642 HydrophobicContact CD1-CZ3 3.59Å; L619-W642 HydrophobicContact CG-CH2 3.93Å; L619-W642 HydrophobicContact CG-CZ3 3.83Å
620	I	94.9	Very high	91.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.9	-163.5	-48.7	172.9	0	0	0	109	L344 A609 F618 I632 L649 C656	L344-I620 HydrophobicContact CD1-CD1 3.84Å; L344-I620 HydrophobicContact CD2-CD1 3.68Å; L344-I620 HydrophobicContact CG-CD1 3.97Å; A609-I620 HydrophobicContact CB-CB 4.35Å; A609-I620 PolarHBondContact N-O 3.44Å; A609-I620 PolarHBondContact O-N 3.49Å; F618-I620 HydrophobicContact CB-CD1 4.3Å; F618-I620 HydrophobicContact CB-CG1 4.16Å; I620-I632 HydrophobicContact CG1-CG2 4.22Å; I620-I632 HydrophobicContact CG2-CD1 4.5Å; I620-I632 HydrophobicContact CG2-CG1 4.13Å; I620-L649 HydrophobicContact CG2-CD1 3.7Å; I620-L649 HydrophobicContact CG2-CD2 4.1Å; I620-L649 HydrophobicContact CG2-CG 4Å; I620-C656 PolarHBondContact O-SG 3.07Å
621	G	92.8	Very high	91.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.212	C	C	.	.			trans	56.2	-146.2	180	0	0	0	0	0	113.1	R605 A608 S629 L631 V653	R605-G621 WeakPolarHBondContact CD-O 3.35Å; R605-G621 PolarHBondContact NE-O 2.79Å; R605-G621 PolarHBondContact NH1-O 3.24Å; A608-G621 WeakPolarHBondContact CB-O 3.37Å; G621-S629 VanDerWaalsContact CA-O 3.27Å; G621-S629 WeakPolarHBondContact CA-O 3.41Å; G621-L631 PolarHBondContact N-O 2.95Å; G621-V653 CarbonylContact C-O 3.6Å
622	G	93.3	Very high	91.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.			trans	95	-167	-170.7	0	0	0	0	0	111.1	A606 F607 P628 S629 V653	A606-G622 CarbonylContact O-C 3.57Å; A606-G622 VanDerWaalsContact O-CA 3.24Å; A606-G622 WeakPolarHBondContact O-CA 3.2Å; F607-G622 VanDerWaalsContact O-CA 3.25Å; F607-G622 WeakPolarHBondContact O-CA 3.37Å; G622-P628 CarbonylContact O-C 3.5Å; G622-P628 VanDerWaalsContact O-CA 3.23Å; G622-P628 WeakPolarHBondContact O-CA 3.01Å; G622-S629 PolarHBondContact O-N 2.89Å; G622-V653 PolarHBondContact N-O 2.96Å; G622-V653 VanDerWaalsContact O-O 3.05Å
623	R	92.5	Very high	91.8	Very high	80 Å²	80	37 Å²	37	30%	0.302	19%	0.185	S	C	.	.	B	Isolated β-bridge	trans	-144.5	152.1	-175.6	64.4	-176.7	-173.4	88.1	-3.2	112.1	R605 A606 F607 E627	R605-R623 WeakPolarHBondContact CA-O 3.42Å; A606-R623 PolarHBondContact N-O 2.93Å; A606-R623 PolarHBondContact O-N 3.09Å; F607-R623 HydrophobicContact CD2-CG 4.09Å; F607-R623 VanDerWaalsContact CD2-NE 3.29Å; R623-E627 WeakPolarHBondContact CA-O 3.16Å; R623-E627 WeakPolarHBondContact CB-O 3.41Å
624	N	91.3	Very high	92	Very high	58 Å²	58	36.3 Å²	36.3	31%	0.31	18%	0.182	S	C	.	.			trans	-93.2	-161.2	160.8	65.2	21.4	0	0	0	109.1	C581 H604 M626 E627	C581-N624 VanDerWaalsContact SG-C 3.59Å; H604-N624 WeakPolarHBondContact O-CB 3.45Å; N624-M626 VanDerWaalsContact C-N 3.25Å; N624-M626 PolarHBondContact O-N 2.98Å; N624-M626 WeakPolarHBondContact OD1-CA 3.28Å; N624-M626 WeakPolarHBondContact OD1-CB 3.45Å; N624-M626 PolarHBondContact OD1-N 2.86Å; N624-E627 PolarHBondContact N-O 2.78Å; N624-E627 VanDerWaalsContact N-O 3.09Å; N624-E627 PolarHBondContact OD1-N 2.87Å; N624-E627 PolarHBondContact OD1-O 2.85Å; N624-E627 VanDerWaalsContact OD1-O 3.13Å
625	N	87.5	Confident	92.4	Very high	96 Å²	96	33.4 Å²	33.4	51%	0.513	17%	0.166	S	C	.	.	S	Bend	trans	-74	-13.4	178.1	-61.1	-31.4	0	0	0	114	S580 C581	S580-N625 VanDerWaalsContact CB-ND2 3.3Å; S580-N625 WeakPolarHBondContact CB-ND2 3.49Å; C581-N625 PolarHBondContact N-OD1 2.86Å; C581-N625 PolarHBondContact SG-OD1 2.79Å
626	M	86.1	Confident	92.5	Very high	170 Å²	170	31.7 Å²	31.7	84%	0.837	16%	0.157	S	C	*	.	S	Bend	trans	-107.1	-53.2	-173.8	-60.9	-63	-67.2	0	0	111.9	N624	N624-M626 VanDerWaalsContact C-N 3.25Å; N624-M626 PolarHBondContact O-N 2.98Å; N624-M626 WeakPolarHBondContact OD1-CA 3.28Å; N624-M626 WeakPolarHBondContact OD1-CB 3.45Å; N624-M626 PolarHBondContact OD1-N 2.86Å
627	E	89.4	Confident	92.5	Very high	94 Å²	94	31.7 Å²	31.7	44%	0.439	16%	0.158	S	C	.	.			trans	-147.2	156.9	-169.5	62.1	-177.1	-175.8	0	0	113.4	F352 R623 N624	F352-E627 HydrophobicContact CD2-CB 4.19Å; F352-E627 HydrophobicContact CE2-CB 4.01Å; R623-E627 WeakPolarHBondContact CA-O 3.16Å; R623-E627 WeakPolarHBondContact CB-O 3.41Å; N624-E627 PolarHBondContact N-O 2.78Å; N624-E627 VanDerWaalsContact N-O 3.09Å; N624-E627 PolarHBondContact OD1-N 2.87Å; N624-E627 PolarHBondContact OD1-O 2.85Å; N624-E627 VanDerWaalsContact OD1-O 3.13Å
628	P	92.4	Very high	92.2	Very high	16 Å²	16	39.1 Å²	39.1	10%	0.104	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-64.5	161.7	164.8	-15.1	30.5	0	0	0	111.7	G622 L652	G622-P628 CarbonylContact O-C 3.5Å; G622-P628 VanDerWaalsContact O-CA 3.23Å; G622-P628 WeakPolarHBondContact O-CA 3.01Å; P628-L652 HydrophobicContact CB-CB 4.2Å; P628-L652 WeakPolarHBondContact O-CD2 3.25Å
629	S	92.4	Very high	92	Very high	19 Å²	19	41.3 Å²	41.3	13%	0.133	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	152	178.2	-172	0	0	0	0	110.9	R605 G621 G622 L631 V653	R605-S629 PolarHBondContact NH2-OG 2.83Å; G621-S629 VanDerWaalsContact CA-O 3.27Å; G621-S629 WeakPolarHBondContact CA-O 3.41Å; G622-S629 PolarHBondContact O-N 2.89Å; S629-L631 PolarHBondContact OG-N 2.76Å; S629-V653 PolarHBondContact O-N 3.18Å; S629-V653 VanDerWaalsContact O-N 3.12Å
630	N	92.5	Very high	91.7	Very high	40 Å²	40	45.1 Å²	45.1	21%	0.214	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-1.2	169.1	67.1	-23.7	0	0	0	112.2	T648 L649 Y651 L652	N630-T648 WeakPolarHBondContact O-CA 3.39Å; N630-L649 HydrophobicContact CB-CB 4.07Å; N630-L649 WeakPolarHBondContact CB-O 3.36Å; N630-L649 PolarHBondContact ND2-O 3.44Å; N630-L649 PolarHBondContact O-N 2.87Å; N630-Y651 VanDerWaalsContact CB-O 3.23Å; N630-Y651 WeakPolarHBondContact CB-O 3.41Å; N630-L652 HydrophobicContact CB-CD2 4.03Å
631	L	93.1	Very high	91.6	Very high	54 Å²	54	48.4 Å²	48.4	28%	0.283	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	146	-174.6	-57.8	177.1	0	0	0	111.5	L603 R605 G621 S629 V644 T648	L603-L631 HydrophobicContact CD1-CB 4.31Å; L603-L631 HydrophobicContact CD1-CD1 3.79Å; R605-L631 PolarHBondContact NH1-O 3.29Å; R605-L631 PolarHBondContact NH2-O 2.74Å; G621-L631 PolarHBondContact N-O 2.95Å; S629-L631 PolarHBondContact OG-N 2.76Å; L631-V644 HydrophobicContact CB-CG1 4.36Å; L631-V644 HydrophobicContact CD1-CG1 4.49Å; L631-V644 HydrophobicContact CD2-CG1 4.48Å; L631-T648 HydrophobicContact CD2-CG2 3.72Å
632	I	93.7	Very high	91.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	117.6	173.5	-55.4	177.7	0	0	0	108.2	Y363 L406 F618 L619 I620 L645	Y363-I632 HydrophobicContact CE2-CD1 4.31Å; L406-I632 HydrophobicContact CD1-CD1 3.73Å; L406-I632 HydrophobicContact CD1-CG2 4.32Å; F618-I632 HydrophobicContact CD1-CG2 4.19Å; L619-I632 WeakPolarHBondContact O-CA 3.47Å; I620-I632 HydrophobicContact CG1-CG2 4.22Å; I620-I632 HydrophobicContact CG2-CD1 4.5Å; I620-I632 HydrophobicContact CG2-CG1 4.13Å; I632-L645 HydrophobicContact CB-CB 4.45Å; I632-L645 HydrophobicContact CB-CD1 4.46Å; I632-L645 HydrophobicContact CG2-CD1 3.84Å; I632-L645 HydrophobicContact CG2-CG 4.47Å; I632-L645 PolarHBondContact O-N 3.41Å
633	Q	93.1	Very high	91.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	145.3	169.2	-72.5	173.3	102.8	0	0	109.2	I602 L603 F618 L619 W642 A643 V644	I602-Q633 VanDerWaalsContact CB-OE1 3.3Å; L603-Q633 HydrophobicContact CD1-CG 4.18Å; F618-Q633 CarbonylContact C-O 3.6Å; F618-Q633 WeakPolarHBondContact CA-O 3.33Å; L619-Q633 HydrophobicContact CB-CB 4.28Å; L619-Q633 PolarHBondContact N-O 2.73Å; L619-Q633 PolarHBondContact O-N 2.88Å; Q633-W642 HydrophobicContact CB-CE3 4.21Å; Q633-W642 HydrophobicContact CB-CZ3 4.31Å; Q633-A643 CarbonylContact C-O 3.52Å; Q633-A643 VanDerWaalsContact CA-O 3.29Å; Q633-A643 WeakPolarHBondContact CA-O 3.4Å; Q633-V644 HydrophobicContact CG-CG2 4.02Å
634	T	94.2	Very high	91.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.1	172.4	-174.6	0	0	0	0	110.2	F403 V617 W642 A643 L645	F403-T634 HydrophobicContact CB-CG2 4.1Å; F403-T634 HydrophobicContact CD1-CG2 3.29Å; F403-T634 HydrophobicContact CE1-CG2 3.9Å; F403-T634 HydrophobicContact CG-CG2 3.92Å; V617-T634 CarbonylContact O-C 3.55Å; V617-T634 WeakPolarHBondContact O-CA 3.29Å; T634-W642 CarbonylContact O-C 3.6Å; T634-W642 WeakPolarHBondContact O-CA 2.93Å; T634-A643 HydrophobicContact CG2-CB 4.18Å; T634-A643 PolarHBondContact N-O 2.8Å; T634-A643 PolarHBondContact O-N 3.38Å; T634-L645 HydrophobicContact CG2-CD1 4.38Å; T634-L645 HydrophobicContact CG2-CD2 3.54Å; T634-L645 HydrophobicContact CG2-CG 3.85Å
635	Y	94.8	Very high	91.3	Very high	8 Å²	8	46.7 Å²	46.7	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.6	172.4	179.3	-120.9	0	0	0	109.2	F564 Y571 K599 Y616 V617 L637 N640 E641 W642	F564-Y635 HydrophobicContact CZ-CD1 4.33Å; Y571-Y635 HydrophobicContact CE1-CE1 4.45Å; K599-Y635 HydrophobicContact CB-CE2 4.38Å; Y616-Y635 CarbonylContact C-O 3.55Å; Y616-Y635 VanDerWaalsContact CA-O 3.29Å; Y616-Y635 WeakPolarHBondContact CA-O 3.4Å; V617-Y635 PolarHBondContact N-O 2.81Å; V617-Y635 PolarHBondContact O-N 2.92Å; Y635-L637 HydrophobicContact CD1-CD2 3.89Å; Y635-L637 HydrophobicContact CD1-CG 4.16Å; Y635-L637 HydrophobicContact CE1-CD2 3.55Å; Y635-L637 HydrophobicContact CE1-CG 4.2Å; Y635-N640 PolarHBondContact OH-OD1 3.08Å; Y635-E641 WeakPolarHBondContact CA-O 3.42Å; Y635-E641 VanDerWaalsContact CD2-O 3.32Å; Y635-E641 WeakPolarHBondContact CD2-O 3.17Å; Y635-W642 HydrophobicContact CD1-CZ2 4.4Å; Y635-W642 AromaticContact CD2-CD1 3.61Å; Y635-W642 AromaticContact CD2-CD2 3.74Å; Y635-W642 HydrophobicContact CD2-CD2 3.74Å; Y635-W642 AromaticContact CD2-CE2 3.48Å; Y635-W642 VanDerWaalsContact CD2-CE2 3.48Å; Y635-W642 AromaticContact CD2-CG 3.79Å; Y635-W642 HydrophobicContact CD2-CG 3.79Å; Y635-W642 HydrophobicContact CD2-CZ2 4.04Å; Y635-W642 AromaticContact CD2-NE1 3.43Å; Y635-W642 AromaticContact CE2-CD1 4Å; Y635-W642 AromaticContact CE2-NE1 3.76Å; Y635-W642 HydrophobicContact CG-CD2 4.05Å; Y635-W642 AromaticContact CG-CE2 3.74Å; Y635-W642 HydrophobicContact CG-CE3 4.44Å; Y635-W642 HydrophobicContact CG-CH2 4.2Å; Y635-W642 AromaticContact CG-CZ2 3.82Å; Y635-W642 HydrophobicContact CG-CZ2 3.82Å
636	N	91.7	Very high	91.1	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.032	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	111.6	174.9	-179.2	-28.3	0	0	0	108.7	F403 Y616 K638 T639 N640 E641	F403-N636 HydrophobicContact CD1-CB 4.29Å; F403-N636 HydrophobicContact CE1-CB 3.76Å; F403-N636 HydrophobicContact CZ-CB 4.48Å; Y616-N636 HydrophobicContact CD1-CB 4.03Å; Y616-N636 HydrophobicContact CE1-CB 3.84Å; Y616-N636 WeakPolarHBondContact CE1-ND2 3.43Å; N636-K638 VanDerWaalsContact C-N 3.25Å; N636-K638 PolarHBondContact O-N 2.93Å; N636-K638 WeakPolarHBondContact OD1-CA 3.43Å; N636-K638 WeakPolarHBondContact OD1-CB 3.23Å; N636-K638 PolarHBondContact OD1-N 3.12Å; N636-T639 VanDerWaalsContact CB-OG1 3.29Å; N636-T639 WeakPolarHBondContact CB-OG1 2.78Å; N636-T639 PolarHBondContact O-N 2.84Å; N636-T639 PolarHBondContact OD1-N 2.57Å; N636-T639 VanDerWaalsContact OD1-N 3.12Å; N636-N640 WeakPolarHBondContact O-CA 3.3Å; N636-N640 PolarHBondContact O-N 3.11Å; N636-E641 PolarHBondContact N-O 3.41Å; N636-E641 PolarHBondContact O-N 2.93Å
637	L	91.6	Very high	91.2	Very high	24 Å²	24	39.2 Å²	39.2	13%	0.126	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-26.4	-177.7	-72.9	160.3	0	0	0	112.8	F564 H566 L612 D615 V617 Y635	F564-L637 HydrophobicContact CE2-CD2 3.96Å; F564-L637 HydrophobicContact CZ-CD2 4.48Å; H566-L637 HydrophobicContact CB-CD1 4.21Å; H566-L637 HydrophobicContact CB-CD2 4.39Å; L612-L637 HydrophobicContact CD1-CD1 3.63Å; D615-L637 HydrophobicContact CB-CB 4.35Å; D615-L637 VanDerWaalsContact O-CB 3.31Å; D615-L637 WeakPolarHBondContact O-CB 3.44Å; D615-L637 WeakPolarHBondContact O-CG 3.32Å; D615-L637 PolarHBondContact O-N 3.28Å; V617-L637 HydrophobicContact CG2-CD1 4.11Å; V617-L637 HydrophobicContact CG2-CG 4.4Å; Y635-L637 HydrophobicContact CD1-CD2 3.89Å; Y635-L637 HydrophobicContact CD1-CG 4.16Å; Y635-L637 HydrophobicContact CE1-CD2 3.55Å; Y635-L637 HydrophobicContact CE1-CG 4.2Å
638	K	89.2	Confident	91.2	Very high	157 Å²	157	37.4 Å²	37.4	68%	0.683	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-42.1	178.1	-71.7	171	162.1	156.9	0	112.1	D615 N636	D615-K638 HydrophobicContact CB-CD 4.13Å; D615-K638 HydrophobicContact CB-CG 4.09Å; D615-K638 WeakPolarHBondContact OD2-CE 3.26Å; D615-K638 IonicContact OD2-NZ 3.87Å; D615-K638 PolarHBondContact OD2-NZ 3.03Å; N636-K638 VanDerWaalsContact C-N 3.25Å; N636-K638 PolarHBondContact O-N 2.93Å; N636-K638 WeakPolarHBondContact OD1-CA 3.43Å; N636-K638 WeakPolarHBondContact OD1-CB 3.23Å; N636-K638 PolarHBondContact OD1-N 3.12Å
639	T	89.6	Confident	91.2	Very high	46 Å²	46	37 Å²	37	28%	0.282	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-12.5	-177.8	64.8	0	0	0	0	113.1	S400 N636 E641	S400-T639 VanDerWaalsContact O-CG2 3.23Å; S400-T639 WeakPolarHBondContact O-CG2 3.34Å; N636-T639 VanDerWaalsContact CB-OG1 3.29Å; N636-T639 WeakPolarHBondContact CB-OG1 2.78Å; N636-T639 PolarHBondContact O-N 2.84Å; N636-T639 PolarHBondContact OD1-N 2.57Å; N636-T639 VanDerWaalsContact OD1-N 3.12Å; T639-E641 VanDerWaalsContact C-N 3.26Å; T639-E641 PolarHBondContact O-N 3.26Å; T639-E641 WeakPolarHBondContact OG1-CB 3.24Å
640	N	90.4	Very high	91	Very high	79 Å²	79	39.1 Å²	39.1	42%	0.422	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	36.5	-173	-174.6	26.8	0	0	0	112.3	K599 Y635 N636	K599-N640 WeakPolarHBondContact CD-O 3.46Å; Y635-N640 PolarHBondContact OH-OD1 3.08Å; N636-N640 WeakPolarHBondContact O-CA 3.3Å; N636-N640 PolarHBondContact O-N 3.11Å
641	E	91.6	Very high	90.8	Very high	69 Å²	69	42.8 Å²	42.8	32%	0.322	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.4	-176.7	-70.5	-62.3	134.2	0	0	112.3	F403 K599 Y635 N636 T639	F403-E641 HydrophobicContact CZ-CB 3.99Å; K599-E641 IonicContact NZ-OE1 3.24Å; K599-E641 PolarHBondContact NZ-OE1 3.47Å; K599-E641 IonicContact NZ-OE2 2.74Å; K599-E641 PolarHBondContact NZ-OE2 2.89Å; Y635-E641 WeakPolarHBondContact CA-O 3.42Å; Y635-E641 VanDerWaalsContact CD2-O 3.32Å; Y635-E641 WeakPolarHBondContact CD2-O 3.17Å; N636-E641 PolarHBondContact N-O 3.41Å; N636-E641 PolarHBondContact O-N 2.93Å; T639-E641 VanDerWaalsContact C-N 3.26Å; T639-E641 PolarHBondContact O-N 3.26Å; T639-E641 WeakPolarHBondContact OG1-CB 3.24Å
642	W	93	Very high	90.7	Very high	17 Å²	17	43 Å²	43	6%	0.064	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	144	170.9	-75.1	97.4	0	0	0	110.1	K599 M601 I602 L619 Q633 T634 Y635	K599-W642 PolarHBondContact O-NE1 2.78Å; M601-W642 HydrophobicContact CG-CD2 4.49Å; M601-W642 HydrophobicContact CG-CH2 4Å; M601-W642 HydrophobicContact CG-CZ2 3.76Å; M601-W642 HydrophobicContact CG-CZ3 4.42Å; I602-W642 HydrophobicContact CD1-CB 4.05Å; I602-W642 HydrophobicContact CG1-CB 3.97Å; L619-W642 HydrophobicContact CD1-CH2 3.47Å; L619-W642 VanDerWaalsContact CD1-CH2 3.47Å; L619-W642 HydrophobicContact CD1-CZ3 3.59Å; L619-W642 HydrophobicContact CG-CH2 3.93Å; L619-W642 HydrophobicContact CG-CZ3 3.83Å; Q633-W642 HydrophobicContact CB-CE3 4.21Å; Q633-W642 HydrophobicContact CB-CZ3 4.31Å; T634-W642 CarbonylContact O-C 3.6Å; T634-W642 WeakPolarHBondContact O-CA 2.93Å; Y635-W642 HydrophobicContact CD1-CZ2 4.4Å; Y635-W642 AromaticContact CD2-CD1 3.61Å; Y635-W642 AromaticContact CD2-CD2 3.74Å; Y635-W642 HydrophobicContact CD2-CD2 3.74Å; Y635-W642 AromaticContact CD2-CE2 3.48Å; Y635-W642 VanDerWaalsContact CD2-CE2 3.48Å; Y635-W642 AromaticContact CD2-CG 3.79Å; Y635-W642 HydrophobicContact CD2-CG 3.79Å; Y635-W642 HydrophobicContact CD2-CZ2 4.04Å; Y635-W642 AromaticContact CD2-NE1 3.43Å; Y635-W642 AromaticContact CE2-CD1 4Å; Y635-W642 AromaticContact CE2-NE1 3.76Å; Y635-W642 HydrophobicContact CG-CD2 4.05Å; Y635-W642 AromaticContact CG-CE2 3.74Å; Y635-W642 HydrophobicContact CG-CE3 4.44Å; Y635-W642 HydrophobicContact CG-CH2 4.2Å; Y635-W642 AromaticContact CG-CZ2 3.82Å; Y635-W642 HydrophobicContact CG-CZ2 3.82Å
643	A	90.1	Very high	90.6	Very high	20 Å²	20	43.4 Å²	43.4	17%	0.165	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	153	169.1	0	0	0	0	0	111.3	F403 Q633 T634	F403-A643 HydrophobicContact CD1-CB 4.01Å; F403-A643 HydrophobicContact CD2-CB 3.65Å; F403-A643 HydrophobicContact CE1-CB 3.76Å; F403-A643 HydrophobicContact CE2-CB 3.41Å; F403-A643 VanDerWaalsContact CE2-CB 3.41Å; F403-A643 HydrophobicContact CG-CB 3.94Å; F403-A643 HydrophobicContact CZ-CB 3.45Å; F403-A643 VanDerWaalsContact CZ-CB 3.45Å; Q633-A643 CarbonylContact C-O 3.52Å; Q633-A643 VanDerWaalsContact CA-O 3.29Å; Q633-A643 WeakPolarHBondContact CA-O 3.4Å; T634-A643 HydrophobicContact CG2-CB 4.18Å; T634-A643 PolarHBondContact N-O 2.8Å; T634-A643 PolarHBondContact O-N 3.38Å
644	V	89.8	Confident	90.5	Very high	58 Å²	58	43.7 Å²	43.7	35%	0.352	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.3	164.4	-178.6	0	0	0	0	106.9	I602 L631 Q633	I602-V644 HydrophobicContact CB-CG2 4.45Å; I602-V644 HydrophobicContact CD1-CG2 3.87Å; I602-V644 HydrophobicContact CG2-CG2 4.23Å; L631-V644 HydrophobicContact CB-CG1 4.36Å; L631-V644 HydrophobicContact CD1-CG1 4.49Å; L631-V644 HydrophobicContact CD2-CG1 4.48Å; Q633-V644 HydrophobicContact CG-CG2 4.02Å
645	L	90.4	Very high	90.3	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.037	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	147	175.3	-64.4	-178.9	0	0	0	110.1	F403 P404 L406 F618 I632 T634 Q647	F403-L645 HydrophobicContact CB-CD2 4.2Å; P404-L645 WeakPolarHBondContact O-CD2 3.39Å; L406-L645 HydrophobicContact CD1-CD1 3.66Å; L406-L645 HydrophobicContact CG-CD1 3.94Å; F618-L645 HydrophobicContact CD1-CD1 4.08Å; F618-L645 HydrophobicContact CE1-CD1 3.86Å; I632-L645 HydrophobicContact CB-CB 4.45Å; I632-L645 HydrophobicContact CB-CD1 4.46Å; I632-L645 HydrophobicContact CG2-CD1 3.84Å; I632-L645 HydrophobicContact CG2-CG 4.47Å; I632-L645 PolarHBondContact O-N 3.41Å; T634-L645 HydrophobicContact CG2-CD1 4.38Å; T634-L645 HydrophobicContact CG2-CD2 3.54Å; T634-L645 HydrophobicContact CG2-CG 3.85Å; L645-Q647 PolarHBondContact O-N 2.83Å
646	P	83.5	Confident	90	Very high	86 Å²	86	45.8 Å²	45.8	56%	0.558	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	-20.1	175	25	-31.7	0	0	0	112.3
647	Q	88.7	Confident	89.8	Confident	24 Å²	24	46.7 Å²	46.7	11%	0.112	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	138.8	174.7	-65.2	82.6	25.5	0	0	112.6	L406 L645	L406-Q647 HydrophobicContact CB-CB 4.1Å; L406-Q647 HydrophobicContact CB-CG 3.85Å; L406-Q647 VanDerWaalsContact O-CD 3.27Å; L406-Q647 WeakPolarHBondContact O-CG 3.32Å; L406-Q647 PolarHBondContact O-NE2 2.61Å; L645-Q647 PolarHBondContact O-N 2.83Å
648	T	90.3	Very high	89.5	Confident	56 Å²	56	46 Å²	46	34%	0.344	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	157	177.4	65.7	0	0	0	0	110.9	Y363 N630 L631	Y363-T648 PolarHBondContact OH-O 3.33Å; N630-T648 WeakPolarHBondContact O-CA 3.39Å; L631-T648 HydrophobicContact CD2-CG2 3.72Å
649	L	91	Very high	89.5	Confident	6 Å²	6	38.6 Å²	38.6	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	150.5	162.8	-65.3	179.4	0	0	0	110.3	C346 T361 Y363 I620 N630 Y651 V653	C346-L649 HydrophobicContact CB-CD2 4.04Å; T361-L649 HydrophobicContact CG2-CD2 4.36Å; Y363-L649 HydrophobicContact CE2-CD2 3.93Å; Y363-L649 WeakPolarHBondContact OH-CA 3.45Å; I620-L649 HydrophobicContact CG2-CD1 3.7Å; I620-L649 HydrophobicContact CG2-CD2 4.1Å; I620-L649 HydrophobicContact CG2-CG 4Å; N630-L649 HydrophobicContact CB-CB 4.07Å; N630-L649 WeakPolarHBondContact CB-O 3.36Å; N630-L649 PolarHBondContact ND2-O 3.44Å; N630-L649 PolarHBondContact O-N 2.87Å; L649-Y651 PolarHBondContact O-N 2.93Å; L649-V653 HydrophobicContact CD1-CG2 3.28Å
650	P	88.5	Confident	89.3	Confident	64 Å²	64	37.1 Å²	37.1	42%	0.416	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	-17.5	176.4	-21.9	32.4	0	0	0	114	T361	T361-P650 HydrophobicContact CG2-CG 4.22Å
651	Y	88.8	Confident	89	Confident	118 Å²	118	33.5 Å²	33.5	46%	0.463	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	150	-175.4	-48.8	-76.1	0	0	0	111.4	L351 N359 N630 L649 V653	L351-Y651 HydrophobicContact CD2-CG 4.36Å; N359-Y651 HydrophobicContact CB-CE2 4.49Å; N359-Y651 WeakPolarHBondContact ND2-CE2 3.27Å; N630-Y651 VanDerWaalsContact CB-O 3.23Å; N630-Y651 WeakPolarHBondContact CB-O 3.41Å; L649-Y651 PolarHBondContact O-N 2.93Å; Y651-V653 PolarHBondContact O-N 3.01Å
652	L	91.6	Very high	88.5	Confident	58 Å²	58	33 Å²	33	30%	0.304	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	112.1	169.2	-62	168.4	0	0	0	108.9	F352 P628 N630	F352-L652 HydrophobicContact CD2-CD1 4.35Å; P628-L652 HydrophobicContact CB-CB 4.2Å; P628-L652 WeakPolarHBondContact O-CD2 3.25Å; N630-L652 HydrophobicContact CB-CD2 4.03Å
653	V	91.3	Very high	87.5	Confident	9 Å²	9	33.5 Å²	33.5	6%	0.055	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	143.8	-174.4	-64.4	0	0	0	0	111.7	R350 L351 G621 G622 S629 L649 Y651 C656	R350-V653 WeakPolarHBondContact O-CA 3.31Å; L351-V653 HydrophobicContact CD2-CG1 3.77Å; G621-V653 CarbonylContact C-O 3.6Å; G622-V653 PolarHBondContact N-O 2.96Å; G622-V653 VanDerWaalsContact O-O 3.05Å; S629-V653 PolarHBondContact O-N 3.18Å; S629-V653 VanDerWaalsContact O-N 3.12Å; L649-V653 HydrophobicContact CD1-CG2 3.28Å; Y651-V653 PolarHBondContact O-N 3.01Å; V653-C656 HydrophobicContact CG2-CB 4.36Å
654	S	91	Very high	85.9	Confident	5 Å²	5	39.8 Å²	39.8	4%	0.035	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	158.7	166.8	59	0	0	0	0	109.9	G349 R350 C656	G349-S654 CarbonylContact C-O 3.46Å; G349-S654 WeakPolarHBondContact CA-O 3.36Å; R350-S654 PolarHBondContact N-O 3.39Å; R350-S654 PolarHBondContact O-N 3.46Å; R350-S654 PolarHBondContact O-OG 2.73Å; S654-C656 PolarHBondContact O-N 3.03Å
655	N	89.8	Confident	85.7	Confident	36 Å²	36	38.9 Å²	38.9	19%	0.193	22%	0.218	C	C	.	.	S	Bend	trans	57.9	36.7	176.7	-161.4	75.2	0	0	0	112.9	W469 F607	W469-N655 VanDerWaalsContact CZ3-ND2 3.25Å; W469-N655 WeakPolarHBondContact CZ3-ND2 3.37Å; W469-N655 WeakPolarHBondContact CZ3-OD1 3.42Å; F607-N655 HydrophobicContact CB-CB 4.23Å; F607-N655 HydrophobicContact CD1-CB 4.28Å; F607-N655 PolarHBondContact O-N 2.97Å
656	C	87.5	Confident	85.4	Confident	16 Å²	16	40.6 Å²	40.6	11%	0.108	23%	0.228	C	C	.	.			trans	-78.4	166.9	167.2	54.5	0	0	0	0	110	F347 G348 A609 I620 V653 S654	F347-C656 WeakPolarHBondContact O-CA 3.37Å; F347-C656 WeakPolarHBondContact O-CB 3.34Å; G348-C656 VanDerWaalsContact O-CB 3.3Å; G348-C656 WeakPolarHBondContact O-CB 3.46Å; A609-C656 VanDerWaalsContact CB-SG 3.56Å; I620-C656 PolarHBondContact O-SG 3.07Å; V653-C656 HydrophobicContact CG2-CB 4.36Å; S654-C656 PolarHBondContact O-N 3.03Å
657	C	87.8	Confident	85.6	Confident	25 Å²	25	38.1 Å²	38.1	17%	0.169	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	145.8	169.3	-172.8	0	0	0	0	109	C346 F347 F424 A426	C346-C657 CarbonylContact C-O 3.46Å; C346-C657 WeakPolarHBondContact CA-O 3.35Å; F347-C657 HydrophobicContact CB-CB 4.35Å; F347-C657 PolarHBondContact N-O 3.01Å; F347-C657 PolarHBondContact O-N 3.07Å; F347-C657 VanDerWaalsContact O-N 3.12Å; F424-C657 HydrophobicContact CE2-CB 3.91Å; A426-C657 HydrophobicContact CB-CB 4.36Å; A426-C657 PolarHBondContact N-SG 2.86Å
658	S	85.9	Confident	85.4	Confident	10 Å²	10	38.9 Å²	38.9	7%	0.07	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	142.9	175.6	65.1	0	0	0	0	111.6	I345 A609	I345-S658 VanDerWaalsContact O-CA 3.26Å; I345-S658 WeakPolarHBondContact O-CA 3.32Å; A609-S658 VanDerWaalsContact CB-OG 3.3Å; A609-S658 WeakPolarHBondContact CB-OG 3.32Å
659	I	89.6	Confident	85.1	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	161.2	176.5	71.3	-172.3	0	0	0	109.2	I345 F347 A426 N428 I433	I345-I659 HydrophobicContact CB-CD1 4.4Å; I345-I659 HydrophobicContact CB-CG1 3.92Å; I345-I659 HydrophobicContact CD1-CD1 4.49Å; I345-I659 PolarHBondContact N-O 3.23Å; I345-I659 PolarHBondContact O-N 2.91Å; F347-I659 HydrophobicContact CE2-CD1 3.46Å; F347-I659 VanDerWaalsContact CE2-CD1 3.46Å; F347-I659 HydrophobicContact CE2-CG1 3.79Å; F347-I659 HydrophobicContact CZ-CD1 3.74Å; F347-I659 HydrophobicContact CZ-CG1 4.5Å; A426-I659 HydrophobicContact CB-CG2 4.26Å; A426-I659 WeakPolarHBondContact O-CG2 3.37Å; N428-I659 HydrophobicContact CB-CD1 4.25Å; I433-I659 HydrophobicContact CB-CD1 4.21Å; I433-I659 HydrophobicContact CD1-CD1 3.83Å; I433-I659 HydrophobicContact CG1-CD1 3.72Å; I433-I659 HydrophobicContact CG2-CD1 3.52Å
660	T	84.6	Confident	84.7	Confident	16 Å²	16	39.9 Å²	39.9	10%	0.098	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	147.1	165.1	48.5	0	0	0	0	110.4	T342 A343 L344 I365 N428 R611 W613	T342-T660 HydrophobicContact CG2-CG2 4.3Å; A343-T660 CarbonylContact O-C 3.54Å; A343-T660 WeakPolarHBondContact O-CA 3.41Å; L344-T660 HydrophobicContact CD1-CG2 4.01Å; I365-T660 HydrophobicContact CD1-CG2 4.25Å; N428-T660 WeakPolarHBondContact CB-O 3.33Å; N428-T660 PolarHBondContact ND2-O 2.86Å; R611-T660 HydrophobicContact CG-CG2 3.54Å; R611-T660 VanDerWaalsContact CZ-OG1 3.31Å; R611-T660 PolarHBondContact NE-OG1 2.81Å; R611-T660 PolarHBondContact NH2-OG1 3.36Å; W613-T660 HydrophobicContact CB-CG2 4.48Å
661	T	84.9	Confident	84.4	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	148.9	171.7	-167.9	0	0	0	0	111	T342 A343 I345 N428 I452 L663	T342-T661 CarbonylContact C-O 3.52Å; T342-T661 WeakPolarHBondContact CA-O 3.45Å; T342-T661 WeakPolarHBondContact CG2-O 3.21Å; A343-T661 HydrophobicContact CB-CG2 4.05Å; A343-T661 PolarHBondContact N-O 3.43Å; A343-T661 PolarHBondContact O-N 2.64Å; I345-T661 HydrophobicContact CD1-CG2 3.69Å; N428-T661 VanDerWaalsContact ND2-CA 3.28Å; N428-T661 WeakPolarHBondContact ND2-CA 3.28Å; N428-T661 WeakPolarHBondContact ND2-CB 3.29Å; N428-T661 PolarHBondContact ND2-OG1 3.07Å; I452-T661 HydrophobicContact CD1-CG2 3.86Å; I452-T661 WeakPolarHBondContact CD1-OG1 3.33Å; T661-L663 HydrophobicContact CG2-CD2 4.35Å
662	S	80.4	Confident	84.1	Confident	57 Å²	57	32.1 Å²	32.1	40%	0.399	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	138.9	161.9	-60.8	0	0	0	0	108.4	N341	N341-S662 CarbonylContact O-C 3.53Å; N341-S662 WeakPolarHBondContact O-CA 3.5Å
663	L	71.2	Confident	83.4	Confident	28 Å²	28	29.9 Å²	29.9	15%	0.147	18%	0.175	C	C	.	.			trans	-95.2	126.6	168.3	-62.1	177	0	0	0	106.5	N341 A343 K364 I409 L411 T661	N341-L663 HydrophobicContact CB-CB 4.43Å; N341-L663 WeakPolarHBondContact CB-O 3.23Å; N341-L663 PolarHBondContact ND2-O 3.06Å; N341-L663 PolarHBondContact O-N 2.95Å; A343-L663 HydrophobicContact CB-CD1 3.92Å; A343-L663 HydrophobicContact CB-CD2 3.85Å; A343-L663 HydrophobicContact CB-CG 3.81Å; K364-L663 HydrophobicContact CD-CD1 4.43Å; I409-L663 HydrophobicContact CD1-CD1 3.78Å; L411-L663 HydrophobicContact CD1-CD2 4.28Å; L411-L663 HydrophobicContact CD2-CD2 3.81Å; T661-L663 HydrophobicContact CG2-CD2 4.35Å
664	L	57.3	Low	82.7	Confident	153 Å²	153	31.8 Å²	31.8	80%	0.801	19%	0.186	S	C	*	.			trans	-66.6	0	169.7	-69.4	166.4	0	0	0	110.4	I271	I271-L664 HydrophobicContact CD1-CD2 4.18Å

Retrieved 664 of 664 residues in 216.7 ms (Link to these results)

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