A0A077Z8E5_TRITR Loading...

Acylamino-acid-releasing enzyme

AlphaFold DB , UniProt , Accession A0A077Z8E5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 590 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	31.5	Very low	45	Very low	203 Å²	203	99.6 Å²	99.6	100%	1	50%	0.497	S	S	*	.				0	126.7	0	-90.6	-176.3	-70.7	0	0	106.7
2	C	39.2	Very low	45.1	Very low	85 Å²	85	94.6 Å²	94.6	57%	0.574	48%	0.475	S	S	*	.			trans	-93.9	142.7	163.3	-63.2	0	0	0	0	107.7	F15	C2-F15 HydrophobicContact CB-CB 4.25Å; C2-F15 HydrophobicContact CB-CD2 3.41Å; C2-F15 VanDerWaalsContact CB-CD2 3.41Å; C2-F15 HydrophobicContact CB-CE2 3.9Å; C2-F15 HydrophobicContact CB-CG 4.05Å; C2-F15 WeakPolarHBondContact O-CD2 3.04Å
3	R	41.7	Very low	45.4	Very low	138 Å²	138	87.9 Å²	87.9	52%	0.521	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.6	165.6	-73.5	-178.1	178.2	178.2	0.5	106.9	Y5 Y128	R3-Y5 HydrophobicContact CB-CE2 4.14Å; R3-Y128 HydrophobicContact CB-CE1 4.32Å
4	A	43.9	Very low	45.5	Very low	26 Å²	26	88.3 Å²	88.3	22%	0.215	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	143	172.8	0	0	0	0	0	110.5	V12 A13 F15	A4-V12 WeakPolarHBondContact O-CA 3.48Å; A4-A13 HydrophobicContact CB-CB 3.74Å; A4-A13 PolarHBondContact N-O 3.13Å; A4-A13 PolarHBondContact O-N 3.39Å; A4-F15 HydrophobicContact CB-CE2 3.4Å; A4-F15 VanDerWaalsContact CB-CE2 3.4Å; A4-F15 HydrophobicContact CB-CZ 3.79Å
5	Y	46.1	Very low	46.1	Very low	52 Å²	52	84.3 Å²	84.3	20%	0.204	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.9	177.3	-62.2	-91.2	0	0	0	108.7	R3 V12 Y128 W131	R3-Y5 HydrophobicContact CB-CE2 4.14Å; Y5-V12 HydrophobicContact CD1-CG2 4.26Å; Y5-V12 HydrophobicContact CE1-CG2 4.2Å; Y5-Y128 HydrophobicContact CE2-CD1 4.38Å; Y5-Y128 HydrophobicContact CE2-CD2 4.45Å; Y5-Y128 HydrophobicContact CE2-CG 4.17Å; Y5-W131 PolarHBondContact O-NE1 3.49Å; Y5-W131 VanDerWaalsContact O-NE1 3.07Å
6	T	51.3	Low	46.2	Very low	26 Å²	26	88.9 Å²	88.9	16%	0.16	43%	0.434	C	S	.	.			trans	-69.4	157.9	169.8	48.5	0	0	0	0	111.2	D8 C9 R11 L106	T6-D8 VanDerWaalsContact CB-OD1 3.26Å; T6-D8 WeakPolarHBondContact CB-OD1 3.49Å; T6-D8 PolarHBondContact O-N 3.4Å; T6-D8 VanDerWaalsContact O-N 3.12Å; T6-D8 PolarHBondContact OG1-OD1 3.05Å; T6-C9 WeakPolarHBondContact O-CA 3.49Å; T6-C9 PolarHBondContact O-N 3.44Å; T6-R11 HydrophobicContact CG2-CB 3.71Å; T6-R11 PolarHBondContact N-O 3.09Å; T6-R11 PolarHBondContact OG1-N 2.97Å; T6-R11 VanDerWaalsContact OG1-N 3.07Å; T6-R11 PolarHBondContact OG1-O 3.45Å; T6-L106 HydrophobicContact CG2-CD1 3.9Å
7	A	47.5	Very low	46.5	Very low	76 Å²	76	90.6 Å²	90.6	63%	0.628	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-26.5	178.9	0	0	0	0	0	113.3
8	D	53.1	Low	46.6	Very low	90 Å²	90	88.3 Å²	88.3	48%	0.481	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	1.6	175.8	70.4	-7.5	0	0	0	114	T6 R10	T6-D8 VanDerWaalsContact CB-OD1 3.26Å; T6-D8 WeakPolarHBondContact CB-OD1 3.49Å; T6-D8 PolarHBondContact O-N 3.4Å; T6-D8 VanDerWaalsContact O-N 3.12Å; T6-D8 PolarHBondContact OG1-OD1 3.05Å; D8-R10 PolarHBondContact O-N 3.45Å; D8-R10 PolarHBondContact OD1-N 3.19Å
9	C	49.4	Very low	46.9	Very low	59 Å²	59	88.6 Å²	88.6	40%	0.399	44%	0.439	S	S	.	.	S	Bend	trans	54.7	12.9	-174.9	-66.5	0	0	0	0	115.3	T6	T6-C9 WeakPolarHBondContact O-CA 3.49Å; T6-C9 PolarHBondContact O-N 3.44Å
10	R	45.5	Very low	46.9	Very low	197 Å²	197	87.3 Å²	87.3	74%	0.743	44%	0.437	S	S	*	.			trans	-93.2	-26.1	-175.9	-72	179.2	175.9	-170	-2.6	113.8	D8	D8-R10 PolarHBondContact O-N 3.45Å; D8-R10 PolarHBondContact OD1-N 3.19Å
11	R	46.4	Very low	46.6	Very low	144 Å²	144	87.5 Å²	87.5	54%	0.543	45%	0.453	S	S	.	.			trans	-114.1	122.1	179.1	-58.4	-178.7	-175.3	169.8	0.4	109.6	T6	T6-R11 HydrophobicContact CG2-CB 3.71Å; T6-R11 PolarHBondContact N-O 3.09Å; T6-R11 PolarHBondContact OG1-N 2.97Å; T6-R11 VanDerWaalsContact OG1-N 3.07Å; T6-R11 PolarHBondContact OG1-O 3.45Å
12	V	45.9	Very low	46.9	Very low	39 Å²	39	87.9 Å²	87.9	24%	0.236	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.5	171.2	-178.5	0	0	0	0	107.3	A4 Y5 V41	A4-V12 WeakPolarHBondContact O-CA 3.48Å; Y5-V12 HydrophobicContact CD1-CG2 4.26Å; Y5-V12 HydrophobicContact CE1-CG2 4.2Å; V12-V41 HydrophobicContact CB-CB 4.08Å; V12-V41 HydrophobicContact CB-CG2 3.89Å; V12-V41 HydrophobicContact CG1-CG2 3.87Å; V12-V41 WeakPolarHBondContact O-CG2 3.21Å; V12-V41 PolarHBondContact O-N 3.09Å; V12-V41 VanDerWaalsContact O-N 3.09Å
13	A	49.2	Very low	46.6	Very low	8 Å²	8	94.3 Å²	94.3	7%	0.066	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	118.7	172.9	0	0	0	0	0	109.5	A4 I38 Y39	A4-A13 HydrophobicContact CB-CB 3.74Å; A4-A13 PolarHBondContact N-O 3.13Å; A4-A13 PolarHBondContact O-N 3.39Å; A13-I38 HydrophobicContact CB-CG2 3.7Å; A13-Y39 VanDerWaalsContact CA-O 3.3Å; A13-Y39 WeakPolarHBondContact CA-O 3.28Å
14	M	46.3	Very low	46.3	Very low	93 Å²	93	93.7 Å²	93.7	46%	0.458	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	127.7	170.1	-81.5	-178.9	68.9	0	0	110	I38 Y39 V41	M14-I38 WeakPolarHBondContact O-CA 3.14Å; M14-Y39 PolarHBondContact N-O 2.9Å; M14-Y39 PolarHBondContact O-N 3.21Å; M14-V41 HydrophobicContact CB-CG2 4.2Å; M14-V41 HydrophobicContact CG-CG2 3.49Å; M14-V41 VanDerWaalsContact CG-CG2 3.49Å; M14-V41 HydrophobicContact SD-CG2 3.67Å
15	F	54.4	Low	46.1	Very low	28 Å²	28	96.6 Å²	96.6	12%	0.123	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	119.4	175.6	-60.1	-92	0	0	0	110.6	C2 A4 L36 D37 I38 F104	C2-F15 HydrophobicContact CB-CB 4.25Å; C2-F15 HydrophobicContact CB-CD2 3.41Å; C2-F15 VanDerWaalsContact CB-CD2 3.41Å; C2-F15 HydrophobicContact CB-CE2 3.9Å; C2-F15 HydrophobicContact CB-CG 4.05Å; C2-F15 WeakPolarHBondContact O-CD2 3.04Å; A4-F15 HydrophobicContact CB-CE2 3.4Å; A4-F15 VanDerWaalsContact CB-CE2 3.4Å; A4-F15 HydrophobicContact CB-CZ 3.79Å; F15-L36 HydrophobicContact CB-CD1 3.74Å; F15-L36 HydrophobicContact CB-CD2 4.22Å; F15-L36 HydrophobicContact CB-CG 3.93Å; F15-L36 HydrophobicContact CD1-CD1 4.35Å; F15-L36 HydrophobicContact CD1-CD2 3.27Å; F15-L36 HydrophobicContact CD1-CG 3.65Å; F15-L36 HydrophobicContact CE1-CD2 3.89Å; F15-L36 HydrophobicContact CG-CD1 4.48Å; F15-L36 HydrophobicContact CG-CD2 4.06Å; F15-L36 HydrophobicContact CG-CG 4.24Å; F15-D37 CarbonylContact C-O 3.42Å; F15-D37 WeakPolarHBondContact CA-O 3.32Å; F15-I38 HydrophobicContact CD1-CD1 3.98Å; F15-I38 HydrophobicContact CD1-CG1 3.51Å; F15-I38 HydrophobicContact CE1-CD1 3.53Å; F15-I38 HydrophobicContact CE1-CG1 3.57Å; F15-F104 HydrophobicContact CZ-CB 4.49Å
16	R	47.8	Very low	45.6	Very low	159 Å²	159	98 Å²	98	60%	0.6	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	122.6	175	-175.3	179.5	-178.3	178.1	2.1	109.9	V18 D37 Y39	R16-V18 HydrophobicContact CG-CG2 4.18Å; R16-V18 PolarHBondContact O-N 2.71Å; R16-D37 HydrophobicContact CB-CB 4.5Å; R16-D37 PolarHBondContact N-O 3.37Å; R16-D37 PolarHBondContact O-N 2.73Å; R16-Y39 HydrophobicContact CB-CE2 4.24Å
17	K	51.5	Low	45	Very low	118 Å²	118	103.2 Å²	103.2	51%	0.513	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.7	121.5	166.4	-174.1	173.7	178.3	170.7	0	108.8	E34 F35 L52	K17-E34 WeakPolarHBondContact CE-OE1 3.28Å; K17-E34 WeakPolarHBondContact CE-OE2 3.36Å; K17-E34 IonicContact NZ-OE1 2.97Å; K17-E34 PolarHBondContact NZ-OE1 3.33Å; K17-E34 IonicContact NZ-OE2 2.84Å; K17-E34 PolarHBondContact NZ-OE2 3.46Å; K17-F35 CarbonylContact C-O 3.52Å; K17-F35 WeakPolarHBondContact CA-O 3.39Å; K17-L52 HydrophobicContact CD-CD1 4.42Å; K17-L52 HydrophobicContact CG-CD1 4.1Å
18	V	48.4	Very low	44.5	Very low	48 Å²	48	104.8 Å²	104.8	29%	0.291	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.4	118.3	177.4	-175.4	0	0	0	0	109	R16 F35 D37	R16-V18 HydrophobicContact CG-CG2 4.18Å; R16-V18 PolarHBondContact O-N 2.71Å; V18-F35 PolarHBondContact N-O 2.82Å; V18-F35 PolarHBondContact O-N 2.83Å; V18-D37 HydrophobicContact CG2-CB 4.32Å; V18-D37 WeakPolarHBondContact CG2-OD2 3.34Å
19	T	52.7	Low	43.8	Very low	94 Å²	94	104.5 Å²	104.5	58%	0.577	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-90.7	129	167.8	-42.3	0	0	0	0	108.1	A21	T19-A21 PolarHBondContact O-N 3.3Å
20	P	46.6	Very low	43.5	Very low	62 Å²	62	108.1 Å²	108.1	40%	0.403	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-56	128.4	176.4	-23	31	0	0	0	111.2	K22 A32 S33	P20-K22 PolarHBondContact O-N 3.07Å; P20-A32 HydrophobicContact CG-CB 4.32Å; P20-S33 WeakPolarHBondContact CD-O 3.46Å; P20-S33 WeakPolarHBondContact CG-O 3.27Å
21	A	40.5	Very low	43.3	Very low	93 Å²	93	105 Å²	105	77%	0.769	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-61.6	129.7	176	0	0	0	0	0	110.2	T19 R23	T19-A21 PolarHBondContact O-N 3.3Å; A21-R23 PolarHBondContact O-N 2.69Å
22	K	37.2	Very low	43.3	Very low	210 Å²	210	100.8 Å²	100.8	91%	0.913	59%	0.588	S	S	*	*			trans	-58.2	103.1	171.6	-78	-177.4	176.5	178.3	0	108.9	P20 S24	P20-K22 PolarHBondContact O-N 3.07Å; K22-S24 PolarHBondContact O-N 3.26Å
23	R	32.5	Very low	43.6	Very low	221 Å²	221	100.6 Å²	100.6	83%	0.834	59%	0.588	S	S	*	*			trans	-66	123.6	164.4	-81.3	-174.6	175.7	-178.4	-0.7	107.7	A21 G25 A26	A21-R23 PolarHBondContact O-N 2.69Å; R23-G25 PolarHBondContact O-N 3.18Å; R23-G25 VanDerWaalsContact O-N 3.14Å; R23-A26 PolarHBondContact O-N 3.13Å
24	S	36.9	Very low	44.2	Very low	125 Å²	125	102.8 Å²	102.8	87%	0.874	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.7	116.8	175.2	52	0	0	0	0	110.2	K22	K22-S24 PolarHBondContact O-N 3.26Å
25	G	38.4	Very low	44.9	Very low	86 Å²	86	101.7 Å²	101.7	89%	0.887	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	109.8	-4.4	172.2	0	0	0	0	0	116.9	R23	R23-G25 PolarHBondContact O-N 3.18Å; R23-G25 VanDerWaalsContact O-N 3.14Å
26	A	36.8	Very low	45.4	Very low	82 Å²	82	101.6 Å²	101.6	68%	0.678	59%	0.591	S	S	*	*			trans	-92	122.5	173.7	0	0	0	0	0	111.6	R23 S28	R23-A26 PolarHBondContact O-N 3.13Å; A26-S28 PolarHBondContact O-N 3.27Å
27	V	37.3	Very low	46.2	Very low	136 Å²	136	94.7 Å²	94.7	82%	0.824	57%	0.566	S	S	*	*			trans	-52.1	130.7	168.2	-179.9	0	0	0	0	108.4	S29	V27-S29 PolarHBondContact O-N 2.98Å
28	S	38.7	Very low	46.7	Very low	108 Å²	108	89.1 Å²	89.1	76%	0.755	54%	0.541	S	S	*	.			trans	-50.3	103.6	-177.8	51.6	0	0	0	0	111.4	A26	A26-S28 PolarHBondContact O-N 3.27Å
29	S	38	Very low	47.3	Very low	85 Å²	85	89.9 Å²	89.9	59%	0.594	54%	0.54	S	S	*	.			trans	-71.5	134.8	160.8	66.8	0	0	0	0	107.4	V27 E31	V27-S29 PolarHBondContact O-N 2.98Å; S29-E31 PolarHBondContact O-N 2.97Å
30	P	41.7	Very low	47.7	Very low	135 Å²	135	85.7 Å²	85.7	88%	0.877	51%	0.514	S	S	*	.	S	Bend	trans	-66.7	7.1	175.2	-17.8	30.6	0	0	0	114
31	E	43.1	Very low	48.1	Very low	130 Å²	130	86 Å²	86	61%	0.607	51%	0.514	S	S	*	.			trans	-126.1	46.4	-168.4	-59.7	-153.6	116.3	0	0	112.6	S29 S33 K53	S29-E31 PolarHBondContact O-N 2.97Å; E31-S33 VanDerWaalsContact C-N 3.32Å; E31-S33 PolarHBondContact O-N 3.08Å; E31-K53 IonicContact OE1-NZ 3.69Å; E31-K53 PolarHBondContact OE1-NZ 3.36Å
32	A	45.9	Very low	48.9	Very low	57 Å²	57	86.8 Å²	86.8	47%	0.471	51%	0.509	S	S	.	.			trans	-62.7	100.2	160.2	0	0	0	0	0	107.9	P20 E34	P20-A32 HydrophobicContact CG-CB 4.32Å; A32-E34 PolarHBondContact O-N 2.78Å
33	S	52.1	Low	50.4	Low	34 Å²	34	82.5 Å²	82.5	24%	0.238	50%	0.496	C	S	.	.			trans	-64.9	124.1	173	27.2	0	0	0	0	108.9	P20 E31 F35	P20-S33 WeakPolarHBondContact CD-O 3.46Å; P20-S33 WeakPolarHBondContact CG-O 3.27Å; E31-S33 VanDerWaalsContact C-N 3.32Å; E31-S33 PolarHBondContact O-N 3.08Å; S33-F35 VanDerWaalsContact O-CD2 3.29Å; S33-F35 WeakPolarHBondContact O-CD2 3.2Å; S33-F35 WeakPolarHBondContact O-CE2 3.3Å; S33-F35 WeakPolarHBondContact OG-CE2 3.34Å
34	E	61.2	Low	52.1	Low	55 Å²	55	78.9 Å²	78.9	26%	0.257	49%	0.493	S	S	.	.			trans	-82.1	132.8	173.1	-55.7	-171.3	135.7	0	0	108.4	K17 A32 L52	K17-E34 WeakPolarHBondContact CE-OE1 3.28Å; K17-E34 WeakPolarHBondContact CE-OE2 3.36Å; K17-E34 IonicContact NZ-OE1 2.97Å; K17-E34 PolarHBondContact NZ-OE1 3.33Å; K17-E34 IonicContact NZ-OE2 2.84Å; K17-E34 PolarHBondContact NZ-OE2 3.46Å; A32-E34 PolarHBondContact O-N 2.78Å; E34-L52 HydrophobicContact CB-CB 4.22Å; E34-L52 HydrophobicContact CB-CD1 3.69Å; E34-L52 WeakPolarHBondContact O-CB 3.11Å; E34-L52 PolarHBondContact O-N 2.89Å
35	F	61.9	Low	53.7	Low	69 Å²	69	75.4 Å²	75.4	30%	0.303	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	145.9	178.8	-70.9	-95.9	0	0	0	110.5	K17 V18 S33 C50 N51	K17-F35 CarbonylContact C-O 3.52Å; K17-F35 WeakPolarHBondContact CA-O 3.39Å; V18-F35 PolarHBondContact N-O 2.82Å; V18-F35 PolarHBondContact O-N 2.83Å; S33-F35 VanDerWaalsContact O-CD2 3.29Å; S33-F35 WeakPolarHBondContact O-CD2 3.2Å; S33-F35 WeakPolarHBondContact O-CE2 3.3Å; S33-F35 WeakPolarHBondContact OG-CE2 3.34Å; F35-C50 CarbonylContact C-O 3.59Å; F35-C50 WeakPolarHBondContact CA-O 3.17Å; F35-N51 HydrophobicContact CD1-CB 4.46Å; F35-N51 HydrophobicContact CE1-CB 4.22Å
36	L	63.7	Low	55.2	Low	27 Å²	27	77 Å²	77	14%	0.141	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	100.5	167.2	-162.3	71.5	0	0	0	107.9	F15 C50 L52 I111	F15-L36 HydrophobicContact CB-CD1 3.74Å; F15-L36 HydrophobicContact CB-CD2 4.22Å; F15-L36 HydrophobicContact CB-CG 3.93Å; F15-L36 HydrophobicContact CD1-CD1 4.35Å; F15-L36 HydrophobicContact CD1-CD2 3.27Å; F15-L36 HydrophobicContact CD1-CG 3.65Å; F15-L36 HydrophobicContact CE1-CD2 3.89Å; F15-L36 HydrophobicContact CG-CD1 4.48Å; F15-L36 HydrophobicContact CG-CD2 4.06Å; F15-L36 HydrophobicContact CG-CG 4.24Å; L36-C50 HydrophobicContact CB-CB 4.46Å; L36-C50 PolarHBondContact N-O 2.96Å; L36-C50 PolarHBondContact O-N 2.96Å; L36-L52 HydrophobicContact CB-CD2 4.14Å; L36-L52 HydrophobicContact CB-CG 4.14Å; L36-L52 HydrophobicContact CD1-CD2 4.42Å; L36-I111 HydrophobicContact CD2-CD1 4.3Å
37	D	64.4	Low	56.7	Low	14 Å²	14	76.8 Å²	76.8	8%	0.075	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	135.3	173.3	-79.4	-10.9	0	0	0	109.9	F15 R16 V18 Y39 K46 S49	F15-D37 CarbonylContact C-O 3.42Å; F15-D37 WeakPolarHBondContact CA-O 3.32Å; R16-D37 HydrophobicContact CB-CB 4.5Å; R16-D37 PolarHBondContact N-O 3.37Å; R16-D37 PolarHBondContact O-N 2.73Å; V18-D37 HydrophobicContact CG2-CB 4.32Å; V18-D37 WeakPolarHBondContact CG2-OD2 3.34Å; D37-Y39 HydrophobicContact CB-CD2 4.15Å; D37-Y39 HydrophobicContact CB-CE2 3.43Å; D37-Y39 VanDerWaalsContact CB-CE2 3.43Å; D37-Y39 PolarHBondContact OD2-OH 3.36Å; D37-K46 HydrophobicContact CB-CD 4.16Å; D37-S49 WeakPolarHBondContact OD1-CB 3.47Å; D37-S49 PolarHBondContact OD1-OG 3.22Å
38	I	62.1	Low	58.1	Low	0 Å²	0	73.7 Å²	73.7	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.1	180	-61.3	172.7	0	0	0	108	A13 M14 F15 K46 I47 H48 F104	A13-I38 HydrophobicContact CB-CG2 3.7Å; M14-I38 WeakPolarHBondContact O-CA 3.14Å; F15-I38 HydrophobicContact CD1-CD1 3.98Å; F15-I38 HydrophobicContact CD1-CG1 3.51Å; F15-I38 HydrophobicContact CE1-CD1 3.53Å; F15-I38 HydrophobicContact CE1-CG1 3.57Å; I38-K46 CarbonylContact O-C 3.51Å; I38-I47 HydrophobicContact CG2-CB 4.33Å; I38-I47 HydrophobicContact CG2-CD1 4.29Å; I38-I47 PolarHBondContact O-N 3.44Å; I38-H48 HydrophobicContact CB-CB 4.23Å; I38-H48 HydrophobicContact CD1-CB 4.23Å; I38-H48 PolarHBondContact N-O 2.93Å; I38-H48 PolarHBondContact O-N 3.11Å; I38-F104 HydrophobicContact CD1-CD1 3.83Å; I38-F104 HydrophobicContact CD1-CD2 4.21Å; I38-F104 HydrophobicContact CD1-CE1 3.24Å; I38-F104 HydrophobicContact CD1-CE2 3.65Å; I38-F104 HydrophobicContact CD1-CG 4.28Å; I38-F104 HydrophobicContact CD1-CZ 3.13Å
39	Y	61.2	Low	59.4	Low	65 Å²	65	70.7 Å²	70.7	26%	0.255	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	138.5	-179.8	-70.7	-97.7	0	0	0	111.3	A13 M14 R16 D37 V41 S45 K46	A13-Y39 VanDerWaalsContact CA-O 3.3Å; A13-Y39 WeakPolarHBondContact CA-O 3.28Å; M14-Y39 PolarHBondContact N-O 2.9Å; M14-Y39 PolarHBondContact O-N 3.21Å; R16-Y39 HydrophobicContact CB-CE2 4.24Å; D37-Y39 HydrophobicContact CB-CD2 4.15Å; D37-Y39 HydrophobicContact CB-CE2 3.43Å; D37-Y39 VanDerWaalsContact CB-CE2 3.43Å; D37-Y39 PolarHBondContact OD2-OH 3.36Å; Y39-V41 PolarHBondContact O-N 3.34Å; Y39-S45 CarbonylContact C-O 3.54Å; Y39-S45 WeakPolarHBondContact CA-O 3.33Å; Y39-K46 HydrophobicContact CD1-CB 4.11Å; Y39-K46 HydrophobicContact CE1-CB 3.79Å; Y39-K46 HydrophobicContact CE1-CG 4.43Å
40	D	60.7	Low	60.5	Low	6 Å²	6	67.2 Å²	67.2	3%	0.032	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	115	162.7	-168.5	-55.7	0	0	0	107.1	V42 L43 N44 S45 I47	D40-V42 VanDerWaalsContact C-N 3.29Å; D40-V42 PolarHBondContact O-N 3.42Å; D40-V42 WeakPolarHBondContact OD1-CA 3.41Å; D40-V42 WeakPolarHBondContact OD1-CB 3.38Å; D40-V42 PolarHBondContact OD1-N 3.14Å; D40-L43 HydrophobicContact CB-CB 4.02Å; D40-L43 HydrophobicContact CB-CD1 4.46Å; D40-L43 HydrophobicContact CB-CG 4.45Å; D40-L43 PolarHBondContact OD1-N 3.47Å; D40-N44 VanDerWaalsContact O-CA 3.22Å; D40-N44 WeakPolarHBondContact O-CA 3.48Å; D40-N44 PolarHBondContact O-N 3.42Å; D40-S45 PolarHBondContact N-O 3.36Å; D40-S45 PolarHBondContact O-N 2.91Å; D40-I47 HydrophobicContact CB-CD1 3.62Å; D40-I47 HydrophobicContact CB-CG1 3.66Å
41	V	56.2	Low	61.6	Low	67 Å²	67	63.3 Å²	63.3	41%	0.406	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-32.4	-179.6	176.9	0	0	0	0	111.8	V12 M14 Y39	V12-V41 HydrophobicContact CB-CB 4.08Å; V12-V41 HydrophobicContact CB-CG2 3.89Å; V12-V41 HydrophobicContact CG1-CG2 3.87Å; V12-V41 WeakPolarHBondContact O-CG2 3.21Å; V12-V41 PolarHBondContact O-N 3.09Å; V12-V41 VanDerWaalsContact O-N 3.09Å; M14-V41 HydrophobicContact CB-CG2 4.2Å; M14-V41 HydrophobicContact CG-CG2 3.49Å; M14-V41 VanDerWaalsContact CG-CG2 3.49Å; M14-V41 HydrophobicContact SD-CG2 3.67Å; Y39-V41 PolarHBondContact O-N 3.34Å
42	V	57.5	Low	62.4	Low	110 Å²	110	58.5 Å²	58.5	67%	0.667	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-44.8	-177.9	-179.4	0	0	0	0	110.5	D40 N44	D40-V42 VanDerWaalsContact C-N 3.29Å; D40-V42 PolarHBondContact O-N 3.42Å; D40-V42 WeakPolarHBondContact OD1-CA 3.41Å; D40-V42 WeakPolarHBondContact OD1-CB 3.38Å; D40-V42 PolarHBondContact OD1-N 3.14Å; V42-N44 VanDerWaalsContact C-N 3.29Å
43	L	67.7	Low	63	Low	121 Å²	121	59.6 Å²	59.6	63%	0.634	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-7.1	178.6	-59.9	175.6	0	0	0	113.1	D40 S45	D40-L43 HydrophobicContact CB-CB 4.02Å; D40-L43 HydrophobicContact CB-CD1 4.46Å; D40-L43 HydrophobicContact CB-CG 4.45Å; D40-L43 PolarHBondContact OD1-N 3.47Å; L43-S45 WeakPolarHBondContact CB-OG 3.41Å; L43-S45 PolarHBondContact O-N 2.86Å; L43-S45 VanDerWaalsContact O-N 3.17Å
44	N	68.6	Low	62.9	Low	145 Å²	145	61.6 Å²	61.6	78%	0.775	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	42.5	-172.2	-167.6	32.8	0	0	0	112.6	D40 V42	D40-N44 VanDerWaalsContact O-CA 3.22Å; D40-N44 WeakPolarHBondContact O-CA 3.48Å; D40-N44 PolarHBondContact O-N 3.42Å; V42-N44 VanDerWaalsContact C-N 3.29Å
45	S	70	Confident	62.2	Low	52 Å²	52	60.5 Å²	60.5	36%	0.364	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	148.1	-173	67.1	0	0	0	0	111.5	Y39 D40 L43 I47	Y39-S45 CarbonylContact C-O 3.54Å; Y39-S45 WeakPolarHBondContact CA-O 3.33Å; D40-S45 PolarHBondContact N-O 3.36Å; D40-S45 PolarHBondContact O-N 2.91Å; L43-S45 WeakPolarHBondContact CB-OG 3.41Å; L43-S45 PolarHBondContact O-N 2.86Å; L43-S45 VanDerWaalsContact O-N 3.17Å; S45-I47 PolarHBondContact O-N 3.02Å
46	K	70.2	Confident	61.3	Low	118 Å²	118	60.3 Å²	60.3	51%	0.513	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	118.8	177.2	-172.9	175	68.2	175.1	0	109.5	D37 I38 Y39	D37-K46 HydrophobicContact CB-CD 4.16Å; I38-K46 CarbonylContact O-C 3.51Å; Y39-K46 HydrophobicContact CD1-CB 4.11Å; Y39-K46 HydrophobicContact CE1-CB 3.79Å; Y39-K46 HydrophobicContact CE1-CG 4.43Å
47	I	68.5	Low	60.3	Low	78 Å²	78	66.9 Å²	66.9	40%	0.4	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-47	176.1	-52	175.5	0	0	0	110.2	I38 D40 S45	I38-I47 HydrophobicContact CG2-CB 4.33Å; I38-I47 HydrophobicContact CG2-CD1 4.29Å; I38-I47 PolarHBondContact O-N 3.44Å; D40-I47 HydrophobicContact CB-CD1 3.62Å; D40-I47 HydrophobicContact CB-CG1 3.66Å; S45-I47 PolarHBondContact O-N 3.02Å
48	H	66.1	Low	59.2	Low	72 Å²	72	73.7 Å²	73.7	33%	0.333	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	162.5	-171.6	-159	73.8	0	0	0	111.7	I38 F104	I38-H48 HydrophobicContact CB-CB 4.23Å; I38-H48 HydrophobicContact CD1-CB 4.23Å; I38-H48 PolarHBondContact N-O 2.93Å; I38-H48 PolarHBondContact O-N 3.11Å; H48-F104 HydrophobicContact CB-CZ 4.48Å; H48-F104 AromaticContact CD2-CZ 3.94Å
49	S	66.8	Low	57.7	Low	44 Å²	44	76.5 Å²	76.5	31%	0.308	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	117.9	173.7	-168.5	0	0	0	0	108.5	D37	D37-S49 WeakPolarHBondContact OD1-CB 3.47Å; D37-S49 PolarHBondContact OD1-OG 3.22Å
50	C	61.3	Low	56.2	Low	12 Å²	12	80 Å²	80	8%	0.081	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	139.9	-179.5	175.6	0	0	0	0	109.8	F35 L36	F35-C50 CarbonylContact C-O 3.59Å; F35-C50 WeakPolarHBondContact CA-O 3.17Å; L36-C50 HydrophobicContact CB-CB 4.46Å; L36-C50 PolarHBondContact N-O 2.96Å; L36-C50 PolarHBondContact O-N 2.96Å
51	N	64.4	Low	54.5	Low	54 Å²	54	85 Å²	85	29%	0.289	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	122.8	172.2	-173.2	-27.3	0	0	0	109.4	F35 K53 S54	F35-N51 HydrophobicContact CD1-CB 4.46Å; F35-N51 HydrophobicContact CE1-CB 4.22Å; N51-K53 PolarHBondContact O-N 3.49Å; N51-K53 WeakPolarHBondContact OD1-CB 3.3Å; N51-K53 PolarHBondContact OD1-N 2.9Å; N51-S54 PolarHBondContact O-N 2.86Å; N51-S54 VanDerWaalsContact O-N 3.11Å; N51-S54 PolarHBondContact O-OG 3.48Å
52	L	59.3	Low	53	Low	29 Å²	29	90.3 Å²	90.3	15%	0.152	49%	0.485	C	S	.	.	H	α-helix	trans	-64	-27.5	179.6	-78.5	161.8	0	0	0	112.3	K17 E34 L36 S54 A55 E56	K17-L52 HydrophobicContact CD-CD1 4.42Å; K17-L52 HydrophobicContact CG-CD1 4.1Å; E34-L52 HydrophobicContact CB-CB 4.22Å; E34-L52 HydrophobicContact CB-CD1 3.69Å; E34-L52 WeakPolarHBondContact O-CB 3.11Å; E34-L52 PolarHBondContact O-N 2.89Å; L36-L52 HydrophobicContact CB-CD2 4.14Å; L36-L52 HydrophobicContact CB-CG 4.14Å; L36-L52 HydrophobicContact CD1-CD2 4.42Å; L52-S54 PolarHBondContact O-N 3.13Å; L52-S54 VanDerWaalsContact O-N 3.13Å; L52-A55 CarbonylContact O-C 3.46Å; L52-A55 WeakPolarHBondContact O-CA 3.34Å; L52-A55 PolarHBondContact O-N 3.08Å; L52-E56 WeakPolarHBondContact O-CB 3.31Å; L52-E56 WeakPolarHBondContact O-CG 3.23Å; L52-E56 PolarHBondContact O-N 2.7Å
53	K	58.1	Low	51.4	Low	80 Å²	80	93 Å²	93	35%	0.348	49%	0.493	S	S	.	.	H	α-helix	trans	-57.8	-28.7	174.7	-79.1	-173.3	173.7	-179.4	0	112.7	E31 N51	E31-K53 IonicContact OE1-NZ 3.69Å; E31-K53 PolarHBondContact OE1-NZ 3.36Å; N51-K53 PolarHBondContact O-N 3.49Å; N51-K53 WeakPolarHBondContact OD1-CB 3.3Å; N51-K53 PolarHBondContact OD1-N 2.9Å
54	S	50.1	Low	49.5	Very low	75 Å²	75	90.1 Å²	90.1	52%	0.524	49%	0.493	S	S	.	.	H	α-helix	trans	-78.4	-23.5	174.6	48.7	0	0	0	0	113.5	N51 L52	N51-S54 PolarHBondContact O-N 2.86Å; N51-S54 VanDerWaalsContact O-N 3.11Å; N51-S54 PolarHBondContact O-OG 3.48Å; L52-S54 PolarHBondContact O-N 3.13Å; L52-S54 VanDerWaalsContact O-N 3.13Å
55	A	47.1	Very low	47.4	Very low	32 Å²	32	87.4 Å²	87.4	26%	0.264	49%	0.491	S	S	.	.	H	α-helix	trans	-88.8	-28.7	175.3	0	0	0	0	0	112.7	L52 Q57 I111	L52-A55 CarbonylContact O-C 3.46Å; L52-A55 WeakPolarHBondContact O-CA 3.34Å; L52-A55 PolarHBondContact O-N 3.08Å; A55-Q57 PolarHBondContact O-N 2.89Å; A55-I111 HydrophobicContact CB-CD1 4.32Å
56	E	43.3	Very low	45.3	Very low	66 Å²	66	91 Å²	91	31%	0.308	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-69	-6.6	179.5	-80.4	-178.7	174.9	0	0	114.7	L52 H58 G59 K60	L52-E56 WeakPolarHBondContact O-CB 3.31Å; L52-E56 WeakPolarHBondContact O-CG 3.23Å; L52-E56 PolarHBondContact O-N 2.7Å; E56-H58 PolarHBondContact O-N 3.4Å; E56-G59 PolarHBondContact O-N 3.23Å; E56-K60 HydrophobicContact CB-CG 4.35Å; E56-K60 PolarHBondContact O-N 3.43Å
57	Q	43.3	Very low	43.3	Very low	164 Å²	164	92.5 Å²	92.5	77%	0.766	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-58.3	-14	172.5	-71.7	-171	-12.7	0	0	112.7	A55	A55-Q57 PolarHBondContact O-N 2.89Å
58	H	40.5	Very low	41.4	Very low	157 Å²	157	93.5 Å²	93.5	73%	0.727	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-106.8	7.8	174.4	-63.4	-51.9	0	0	0	115.3	E56	E56-H58 PolarHBondContact O-N 3.4Å
59	G	31.7	Very low	39.7	Very low	60 Å²	60	96.9 Å²	96.9	62%	0.619	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152	10.6	-173.4	0	0	0	0	0	117.9	E56 V61	E56-G59 PolarHBondContact O-N 3.23Å; G59-V61 PolarHBondContact O-N 2.9Å
60	K	27.8	Very low	38.1	Very low	137 Å²	137	105.5 Å²	105.5	60%	0.596	59%	0.593	S	S	*	*			trans	-63.9	122.8	179.3	-90.8	-170.9	176.1	-179.4	0	113.2	E56 H62	E56-K60 HydrophobicContact CB-CG 4.35Å; E56-K60 PolarHBondContact O-N 3.43Å; K60-H62 PolarHBondContact O-N 3.11Å
61	V	25.5	Very low	36.9	Very low	112 Å²	112	112.9 Å²	112.9	68%	0.679	63%	0.63	S	S	*	*			trans	-66.2	119.2	149.6	176.7	0	0	0	0	107.3	G59 I63	G59-V61 PolarHBondContact O-N 2.9Å; V61-I63 PolarHBondContact O-N 3.41Å; V61-I63 VanDerWaalsContact O-N 3.14Å
62	H	25	Very low	35.5	Very low	179 Å²	179	115.7 Å²	115.7	83%	0.829	65%	0.654	S	S	*	*			trans	-65.6	109.4	176.4	-79.2	-78	0	0	0	110.5	K60	K60-H62 PolarHBondContact O-N 3.11Å
63	I	24.5	Very low	34.7	Very low	166 Å²	166	117.8 Å²	117.8	85%	0.851	67%	0.665	S	S	*	*			trans	-94.4	86.5	156.9	-55.2	176.8	0	0	0	105.8	V61 A65	V61-I63 PolarHBondContact O-N 3.41Å; V61-I63 VanDerWaalsContact O-N 3.14Å; I63-A65 PolarHBondContact O-N 2.93Å
64	G	26.6	Very low	34	Very low	60 Å²	60	121.9 Å²	121.9	62%	0.619	69%	0.69	S	S	*	*			trans	-71.8	114.8	177.3	0	0	0	0	0	110.3	C66	G64-C66 PolarHBondContact O-N 2.84Å
65	A	25.6	Very low	33.8	Very low	89 Å²	89	127.6 Å²	127.6	74%	0.736	71%	0.708	S	S	*	*			trans	-61.3	118.5	159.8	0	0	0	0	0	107.9	I63 N67	I63-A65 PolarHBondContact O-N 2.93Å; A65-N67 VanDerWaalsContact C-N 3.29Å; A65-N67 PolarHBondContact O-N 3.48Å
66	C	26.1	Very low	33.9	Very low	128 Å²	128	130.1 Å²	130.1	87%	0.865	72%	0.723	S	S	*	*			trans	-60.2	87.5	174.6	-73.8	0	0	0	0	110.5	G64	G64-C66 PolarHBondContact O-N 2.84Å
67	N	26.9	Very low	34.4	Very low	149 Å²	149	133 Å²	133	80%	0.797	75%	0.751	S	S	*	*			trans	-128.9	104.6	161.4	-84.1	-27.9	0	0	0	108.6	A65	A65-N67 VanDerWaalsContact C-N 3.29Å; A65-N67 PolarHBondContact O-N 3.48Å
68	A	29.9	Very low	35	Very low	98 Å²	98	131.4 Å²	131.4	81%	0.81	74%	0.741	S	S	*	*			trans	57.2	67	160.9	0	0	0	0	0	117.1	R70	A68-R70 PolarHBondContact O-N 3.03Å; A68-R70 VanDerWaalsContact O-N 3.16Å
69	I	30.7	Very low	36	Very low	143 Å²	143	131 Å²	131	73%	0.733	74%	0.74	S	S	*	*			trans	-75.1	101.4	156.7	-62.3	176.8	0	0	0	107.6	L71 I73	I69-L71 PolarHBondContact O-N 2.97Å; I69-I73 HydrophobicContact CG2-CD1 4.39Å
70	R	32.1	Very low	37.7	Very low	226 Å²	226	133.3 Å²	133.3	85%	0.853	75%	0.745	S	S	*	*			trans	-59.7	123.6	160.2	-84.4	179.9	171.2	178.1	-2.7	107.9	A68 S72	A68-R70 PolarHBondContact O-N 3.03Å; A68-R70 VanDerWaalsContact O-N 3.16Å; R70-S72 PolarHBondContact O-N 2.99Å
71	L	35.7	Very low	40.1	Very low	166 Å²	166	131.5 Å²	131.5	87%	0.869	74%	0.742	S	S	*	*	S	Bend	trans	-60.5	92.7	176.2	-86.9	142.6	0	0	0	111.1	I69	I69-L71 PolarHBondContact O-N 2.97Å
72	S	36.2	Very low	42.6	Very low	113 Å²	113	134.2 Å²	134.2	79%	0.79	75%	0.747	S	S	*	*			trans	-128.5	52.1	161.6	64.2	0	0	0	0	109.8	R70	R70-S72 PolarHBondContact O-N 2.99Å
73	I	42.9	Very low	45.3	Very low	74 Å²	74	134.1 Å²	134.1	38%	0.379	75%	0.745	S	S	.	*			trans	-96	-1	-171.7	-67.7	178.1	0	0	0	113.6	I69 H75 F78	I69-I73 HydrophobicContact CG2-CD1 4.39Å; I73-H75 PolarHBondContact O-N 2.97Å; I73-F78 HydrophobicContact CG2-CB 3.86Å; I73-F78 HydrophobicContact CG2-CD1 4.39Å; I73-F78 HydrophobicContact CG2-CG 4.13Å
74	L	42.4	Very low	48	Very low	166 Å²	166	128.5 Å²	128.5	87%	0.869	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	0	-170.2	-77.9	168.3	0	0	0	117.4
75	H	45.8	Very low	50.7	Low	195 Å²	195	132.5 Å²	132.5	90%	0.903	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.2	13	-173.4	-78.5	-11.1	0	0	0	118	I73	I73-H75 PolarHBondContact O-N 2.97Å
76	S	49	Very low	53.5	Low	84 Å²	84	135.3 Å²	135.3	59%	0.587	73%	0.731	S	S	*	*	S	Bend	trans	-137.9	138.2	160.5	57.3	0	0	0	0	106.7	F78	S76-F78 PolarHBondContact O-N 3.25Å
77	S	54.2	Low	56.4	Low	127 Å²	127	133.2 Å²	133.2	89%	0.888	71%	0.709	S	S	*	*			trans	-54.1	84.1	176.4	52	0	0	0	0	110.7	Q79	S77-Q79 PolarHBondContact O-N 2.57Å; S77-Q79 VanDerWaalsContact O-N 3.11Å
78	F	55.1	Low	59.3	Low	130 Å²	130	129.1 Å²	129.1	57%	0.57	68%	0.684	S	S	*	*			trans	-79.4	99.3	-179.5	-171.2	-90.7	0	0	0	106.1	I73 S76	I73-F78 HydrophobicContact CG2-CB 3.86Å; I73-F78 HydrophobicContact CG2-CD1 4.39Å; I73-F78 HydrophobicContact CG2-CG 4.13Å; S76-F78 PolarHBondContact O-N 3.25Å
79	Q	63.2	Low	62.1	Low	150 Å²	150	124.8 Å²	124.8	70%	0.701	65%	0.647	S	S	*	*			trans	-89.1	119.6	172	-163.6	170.4	-2	0	0	107.9	S77 N81	S77-Q79 PolarHBondContact O-N 2.57Å; S77-Q79 VanDerWaalsContact O-N 3.11Å; Q79-N81 WeakPolarHBondContact CG-OD1 3.37Å; Q79-N81 PolarHBondContact O-N 3.36Å; Q79-N81 VanDerWaalsContact O-N 3.11Å
80	C	66.6	Low	64.9	Low	108 Å²	108	118 Å²	118	73%	0.73	61%	0.612	S	S	*	*			trans	-65.6	109.5	170.5	-71.9	0	0	0	0	108.8
81	N	77.7	Confident	67.5	Low	99 Å²	99	107.2 Å²	107.2	53%	0.529	57%	0.572	S	S	.	*			trans	-104.1	7.5	-173.5	-71.2	-24.2	0	0	0	114.3	Q79 F83 A84	Q79-N81 WeakPolarHBondContact CG-OD1 3.37Å; Q79-N81 PolarHBondContact O-N 3.36Å; Q79-N81 VanDerWaalsContact O-N 3.11Å; N81-F83 VanDerWaalsContact C-N 3.25Å; N81-F83 PolarHBondContact O-N 2.6Å; N81-A84 HydrophobicContact CB-CB 4.08Å; N81-A84 WeakPolarHBondContact O-CB 3.42Å; N81-A84 PolarHBondContact O-N 3.15Å; N81-A84 VanDerWaalsContact O-N 3.11Å
82	E	78	Confident	69.8	Low	168 Å²	168	102.6 Å²	102.6	79%	0.785	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-41.2	-177.9	-176.9	178	-176.4	0	0	112.7
83	F	81.8	Confident	72.1	Confident	178 Å²	178	98 Å²	98	78%	0.781	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	16.5	178	-55.5	-69.9	0	0	0	112.9	N81 V85	N81-F83 VanDerWaalsContact C-N 3.25Å; N81-F83 PolarHBondContact O-N 2.6Å; F83-V85 PolarHBondContact O-N 2.83Å
84	A	82.1	Confident	73.9	Confident	48 Å²	48	96.2 Å²	96.2	40%	0.397	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-62.5	124.6	177.1	0	0	0	0	0	109.4	N81 K86	N81-A84 HydrophobicContact CB-CB 4.08Å; N81-A84 WeakPolarHBondContact O-CB 3.42Å; N81-A84 PolarHBondContact O-N 3.15Å; N81-A84 VanDerWaalsContact O-N 3.11Å; A84-K86 PolarHBondContact O-N 2.97Å
85	V	83.4	Confident	75.7	Confident	144 Å²	144	95.8 Å²	95.8	87%	0.873	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-64	124.6	176.5	178.3	0	0	0	0	108.2	F83	F83-V85 PolarHBondContact O-N 2.83Å
86	K	82.9	Confident	77.4	Confident	148 Å²	148	88.4 Å²	88.4	64%	0.643	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-97.8	119.9	170.4	-62.7	-177.7	179.9	-179.9	0	107.9	A84 H88 C97	A84-K86 PolarHBondContact O-N 2.97Å; K86-H88 PolarHBondContact O-N 3.14Å; K86-C97 VanDerWaalsContact CB-SG 3.55Å
87	E	87.4	Confident	79.1	Confident	84 Å²	84	86.2 Å²	86.2	39%	0.393	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-63.3	128.5	174.4	-168.9	-179	-166.6	0	0	109.7	I148 K149	E87-I148 WeakPolarHBondContact OE1-CA 3.44Å; E87-K149 HydrophobicContact CB-CD 4.34Å; E87-K149 HydrophobicContact CG-CB 4.11Å; E87-K149 HydrophobicContact CG-CD 4.05Å; E87-K149 HydrophobicContact CG-CG 4.1Å; E87-K149 PolarHBondContact OE1-N 3.21Å
88	H	88.7	Confident	80.6	Confident	62 Å²	62	83.2 Å²	83.2	29%	0.287	42%	0.424	S	S	.	.			trans	-107.2	164.3	176.7	58.2	47.9	0	0	0	110.3	K86 G90 N94 I96 L527	K86-H88 PolarHBondContact O-N 3.14Å; H88-G90 PolarHBondContact ND1-N 2.82Å; H88-G90 PolarHBondContact O-N 2.9Å; H88-N94 VanDerWaalsContact CB-O 3.3Å; H88-N94 WeakPolarHBondContact CB-O 3.31Å; H88-N94 PolarHBondContact CD2-O 3.39Å; H88-I96 CarbonylContact C-O 3.34Å; H88-I96 VanDerWaalsContact CA-O 3.24Å; H88-I96 WeakPolarHBondContact CA-O 3.45Å; H88-L527 VanDerWaalsContact CE1-CD1 3.4Å; H88-L527 WeakPolarHBondContact CE1-CD1 3.09Å
89	W	88.1	Confident	82.1	Confident	8 Å²	8	78 Å²	78	3%	0.03	40%	0.403	C	S	.	.			trans	-71.2	-15.1	-179.4	-74.3	99.5	0	0	0	115.2	M93 I96 C97 P99 T122 M143 N144 E145 K149 G151	W89-M93 HydrophobicContact CB-CB 3.93Å; W89-M93 HydrophobicContact CB-CE 3.69Å; W89-M93 HydrophobicContact CB-SD 4.23Å; W89-M93 HydrophobicContact CG-CE 4.46Å; W89-I96 VanDerWaalsContact CD1-O 3.24Å; W89-I96 PolarHBondContact N-O 3.27Å; W89-C97 PolarHBondContact NE1-O 3.25Å; W89-P99 VanDerWaalsContact NE1-CD 3.27Å; W89-T122 WeakPolarHBondContact CZ2-OG1 3.23Å; W89-M143 HydrophobicContact CH2-CB 4Å; W89-M143 HydrophobicContact CZ3-CB 4.27Å; W89-M143 HydrophobicContact CZ3-CE 4.12Å; W89-N144 WeakPolarHBondContact CH2-O 3.34Å; W89-E145 HydrophobicContact CH2-CG 4.02Å; W89-E145 HydrophobicContact CZ2-CG 3.67Å; W89-K149 HydrophobicContact CD2-CB 3.99Å; W89-K149 HydrophobicContact CD2-CD 4.21Å; W89-K149 HydrophobicContact CD2-CG 4.27Å; W89-K149 HydrophobicContact CE3-CB 3.72Å; W89-K149 HydrophobicContact CE3-CG 4.22Å; W89-K149 HydrophobicContact CH2-CG 4.39Å; W89-K149 HydrophobicContact CZ2-CD 4.34Å; W89-K149 HydrophobicContact CZ2-CG 4.38Å; W89-K149 HydrophobicContact CZ3-CB 4.1Å; W89-K149 HydrophobicContact CZ3-CG 4.29Å; W89-G151 VanDerWaalsContact O-CA 3.26Å; W89-G151 WeakPolarHBondContact O-CA 3.45Å; W89-G151 PolarHBondContact O-N 2.81Å
90	G	88.6	Confident	83.1	Confident	0 Å²	0	74 Å²	74	0%	0	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	63.7	-157	-172.7	0	0	0	0	0	110.5	H88 Q92 M93	H88-G90 PolarHBondContact ND1-N 2.82Å; H88-G90 PolarHBondContact O-N 2.9Å; G90-Q92 VanDerWaalsContact C-N 3.26Å; G90-Q92 PolarHBondContact O-N 2.82Å; G90-M93 WeakPolarHBondContact O-CA 3.46Å; G90-M93 WeakPolarHBondContact O-CB 3.35Å; G90-M93 PolarHBondContact O-N 2.95Å
91	E	86.9	Confident	84.1	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	36.6	-180	-54.4	-139.4	-142.8	0	0	114.4	M93 G151 R152 L153 F154 C155 R158 D474 R528	E91-M93 HydrophobicContact CB-CE 4.35Å; E91-M93 PolarHBondContact O-N 3.46Å; E91-G151 WeakPolarHBondContact CB-O 3.25Å; E91-G151 VanDerWaalsContact CG-C 3.45Å; E91-G151 WeakPolarHBondContact CG-O 3.43Å; E91-R152 WeakPolarHBondContact OE1-CA 3.19Å; E91-R152 PolarHBondContact OE1-N 3.08Å; E91-L153 HydrophobicContact CB-CB 4.14Å; E91-L153 WeakPolarHBondContact O-CD2 3.28Å; E91-L153 PolarHBondContact OE2-N 3.32Å; E91-F154 WeakPolarHBondContact OE2-CA 3.35Å; E91-F154 WeakPolarHBondContact OE2-CB 3.39Å; E91-F154 PolarHBondContact OE2-N 3.17Å; E91-C155 VanDerWaalsContact OE1-CB 3.23Å; E91-C155 WeakPolarHBondContact OE1-CB 3.48Å; E91-C155 PolarHBondContact OE1-SG 3.02Å; E91-C155 PolarHBondContact OE2-N 2.99Å; E91-C155 PolarHBondContact OE2-SG 3.21Å; E91-R158 IonicContact OE1-CZ 3.05Å; E91-R158 VanDerWaalsContact OE1-CZ 3.3Å; E91-R158 IonicContact OE1-NE 3.67Å; E91-R158 IonicContact OE1-NH1 2.84Å; E91-R158 PolarHBondContact OE1-NH1 2.96Å; E91-D474 PolarHBondContact N-OD2 2.85Å; E91-R528 VanDerWaalsContact CB-NH2 3.28Å; E91-R528 IonicContact OE2-CZ 2.74Å; E91-R528 IonicContact OE2-NH2 3.6Å; E91-R528 PolarHBondContact OE2-NH2 3.25Å
92	Q	85	Confident	84.4	Confident	69 Å²	69	67.6 Å²	67.6	32%	0.322	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	-0.5	-170.8	-47.7	173.8	12.9	0	0	115.3	G90 N94 L153 F154 P559	G90-Q92 VanDerWaalsContact C-N 3.26Å; G90-Q92 PolarHBondContact O-N 2.82Å; Q92-N94 PolarHBondContact O-N 2.6Å; Q92-L153 HydrophobicContact CB-CD2 4.41Å; Q92-F154 VanDerWaalsContact CD-CE2 3.49Å; Q92-F154 HydrophobicContact CG-CE2 4Å; Q92-P559 VanDerWaalsContact NE2-CD 3.27Å
93	M	84.6	Confident	84.6	Confident	17 Å²	17	61.5 Å²	61.5	8%	0.084	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-92.9	44	169.2	-59.3	-177.1	-79.7	0	0	111.3	W89 G90 E91 D95 I96 E125 G151	W89-M93 HydrophobicContact CB-CB 3.93Å; W89-M93 HydrophobicContact CB-CE 3.69Å; W89-M93 HydrophobicContact CB-SD 4.23Å; W89-M93 HydrophobicContact CG-CE 4.46Å; G90-M93 WeakPolarHBondContact O-CA 3.46Å; G90-M93 WeakPolarHBondContact O-CB 3.35Å; G90-M93 PolarHBondContact O-N 2.95Å; E91-M93 HydrophobicContact CB-CE 4.35Å; E91-M93 PolarHBondContact O-N 3.46Å; M93-D95 PolarHBondContact O-N 3.4Å; M93-I96 HydrophobicContact CB-CB 3.98Å; M93-I96 HydrophobicContact CB-CD1 3.83Å; M93-I96 HydrophobicContact CB-CG1 3.93Å; M93-I96 HydrophobicContact CG-CD1 3.83Å; M93-I96 HydrophobicContact CG-CG1 4.48Å; M93-I96 PolarHBondContact O-N 3.48Å; M93-I96 HydrophobicContact SD-CD1 4.21Å; M93-E125 HydrophobicContact SD-CG 4.39Å; M93-G151 VanDerWaalsContact CE-C 3.49Å; M93-G151 WeakPolarHBondContact CE-O 3.27Å
94	N	80.9	Confident	84.6	Confident	35 Å²	35	54.6 Å²	54.6	19%	0.187	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.2	-171.9	-60.3	1.8	0	0	0	113.5	H88 Q92 L527	H88-N94 VanDerWaalsContact CB-O 3.3Å; H88-N94 WeakPolarHBondContact CB-O 3.31Å; H88-N94 PolarHBondContact CD2-O 3.39Å; Q92-N94 PolarHBondContact O-N 2.6Å; N94-L527 HydrophobicContact CB-CD1 4.3Å; N94-L527 WeakPolarHBondContact OD1-CD1 3.41Å
95	D	78.9	Confident	84.5	Confident	158 Å²	158	55.9 Å²	55.9	85%	0.845	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-2.4	177.3	-60.5	-40	0	0	0	112.8	M93	M93-D95 PolarHBondContact O-N 3.4Å
96	I	82.9	Confident	84.4	Confident	39 Å²	39	53 Å²	53	20%	0.2	28%	0.277	C	S	.	.			trans	-98.3	111.6	-175.6	-48.6	-171.5	0	0	0	108.4	H88 W89 M93 P99 E125	H88-I96 CarbonylContact C-O 3.34Å; H88-I96 VanDerWaalsContact CA-O 3.24Å; H88-I96 WeakPolarHBondContact CA-O 3.45Å; W89-I96 VanDerWaalsContact CD1-O 3.24Å; W89-I96 PolarHBondContact N-O 3.27Å; M93-I96 HydrophobicContact CB-CB 3.98Å; M93-I96 HydrophobicContact CB-CD1 3.83Å; M93-I96 HydrophobicContact CB-CG1 3.93Å; M93-I96 HydrophobicContact CG-CD1 3.83Å; M93-I96 HydrophobicContact CG-CG1 4.48Å; M93-I96 PolarHBondContact O-N 3.48Å; M93-I96 HydrophobicContact SD-CD1 4.21Å; I96-P99 HydrophobicContact CG2-CG 3.81Å; I96-E125 VanDerWaalsContact CD1-CD 3.45Å; I96-E125 HydrophobicContact CD1-CG 4.5Å; I96-E125 WeakPolarHBondContact CD1-OE1 3.31Å
97	C	84.3	Confident	84.4	Confident	38 Å²	38	53.8 Å²	53.8	26%	0.257	29%	0.289	S	S	.	.	S	Bend	trans	-96	-51.9	176.4	-57.3	0	0	0	0	111.4	K86 W89 K149	K86-C97 VanDerWaalsContact CB-SG 3.55Å; W89-C97 PolarHBondContact NE1-O 3.25Å; C97-K149 PolarHBondContact O-NZ 3.42Å
98	H	85.8	Confident	83.9	Confident	64 Å²	64	52.2 Å²	52.2	30%	0.296	30%	0.295	S	S	.	.	S	Bend	trans	-140.8	97.2	-174.1	-168.3	85.3	0	0	0	109.7	D115 T122 E145	H98-D115 IonicContact CD2-OD1 2.65Å; H98-D115 PolarHBondContact CD2-OD1 2.84Å; H98-D115 VanDerWaalsContact CD2-OD1 3.27Å; H98-D115 IonicContact NE2-OD1 2.95Å; H98-D115 PolarHBondContact NE2-OD1 3.49Å; H98-T122 WeakPolarHBondContact CE1-CG2 3.21Å; H98-T122 VanDerWaalsContact ND1-CG2 3.31Å; H98-T122 WeakPolarHBondContact ND1-CG2 3.44Å; H98-E145 IonicContact CE1-OE1 3.78Å; H98-E145 IonicContact CE1-OE2 3.93Å; H98-E145 IonicContact CG-OE1 2.78Å; H98-E145 IonicContact ND1-OE1 3.56Å; H98-E145 PolarHBondContact ND1-OE1 2.91Å; H98-E145 IonicContact ND1-OE2 2.66Å; H98-E145 PolarHBondContact ND1-OE2 3.15Å
99	P	86.2	Confident	83.4	Confident	20 Å²	20	49.9 Å²	49.9	13%	0.13	29%	0.288	C	S	.	.			trans	-65.1	141.1	175.9	-17.3	28.5	0	0	0	111	W89 I96 P123	W89-P99 VanDerWaalsContact NE1-CD 3.27Å; I96-P99 HydrophobicContact CG2-CG 3.81Å; P99-P123 VanDerWaalsContact CB-O 3.28Å; P99-P123 WeakPolarHBondContact CB-O 3.35Å; P99-P123 WeakPolarHBondContact CG-O 3.48Å
100	V	85.1	Confident	83.1	Confident	66 Å²	66	53.1 Å²	53.1	40%	0.4	31%	0.309	S	S	.	.			trans	-129.6	157.4	178.5	-62	0	0	0	0	110.5	V113 D115	V100-V113 HydrophobicContact CB-CG1 4.01Å; V100-V113 HydrophobicContact CG1-CG1 4.49Å; V100-V113 HydrophobicContact CG2-CG1 3.74Å; V100-D115 HydrophobicContact CG1-CB 4.18Å; V100-D115 WeakPolarHBondContact CG1-OD1 3.31Å
101	I	86.7	Confident	82.8	Confident	13 Å²	13	55.6 Å²	55.6	7%	0.067	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.7	171.8	-71.1	168.2	0	0	0	108.4	L114 L117 P123 P129 F138 F140	I101-L114 PolarHBondContact N-O 3.13Å; I101-L114 WeakPolarHBondContact O-CA 3.35Å; I101-L114 WeakPolarHBondContact O-CB 3.42Å; I101-L114 PolarHBondContact O-N 3.36Å; I101-L117 HydrophobicContact CD1-CD1 4.28Å; I101-P123 HydrophobicContact CD1-CB 4.05Å; I101-P123 HydrophobicContact CD1-CG 3.66Å; I101-P123 HydrophobicContact CG1-CB 3.97Å; I101-P123 HydrophobicContact CG1-CG 3.59Å; I101-P129 HydrophobicContact CD1-CB 4.37Å; I101-P129 HydrophobicContact CD1-CG 3.78Å; I101-P129 HydrophobicContact CG1-CG 3.81Å; I101-P129 HydrophobicContact CG2-CG 4.45Å; I101-F138 HydrophobicContact CB-CZ 4.47Å; I101-F138 HydrophobicContact CD1-CD2 4.22Å; I101-F138 HydrophobicContact CD1-CE2 3.45Å; I101-F138 VanDerWaalsContact CD1-CE2 3.45Å; I101-F138 HydrophobicContact CD1-CZ 4.11Å; I101-F138 HydrophobicContact CG2-CE1 4.29Å; I101-F138 HydrophobicContact CG2-CE2 4.04Å; I101-F138 HydrophobicContact CG2-CZ 3.76Å; I101-F140 HydrophobicContact CD1-CB 3.98Å; I101-F140 HydrophobicContact CD1-CD1 3.58Å; I101-F140 HydrophobicContact CD1-CD2 3.97Å; I101-F140 HydrophobicContact CD1-CE1 3.95Å; I101-F140 HydrophobicContact CD1-CE2 4.3Å; I101-F140 HydrophobicContact CD1-CG 3.58Å; I101-F140 HydrophobicContact CD1-CZ 4.28Å
102	A	84	Confident	82.6	Confident	61 Å²	61	59.2 Å²	59.2	50%	0.504	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.6	175.1	0	0	0	0	0	110.3	I111 T112 V113	A102-I111 HydrophobicContact CB-CG2 4.02Å; A102-T112 CarbonylContact C-O 3.48Å; A102-T112 WeakPolarHBondContact CA-O 3.18Å; A102-V113 HydrophobicContact CB-CG2 4.44Å
103	I	83.2	Confident	82.5	Confident	39 Å²	39	58.4 Å²	58.4	20%	0.2	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.3	175.5	-59.5	169	0	0	0	108.2	I111 T112 L114 F138 F167	I103-I111 CarbonylContact O-C 3.55Å; I103-I111 WeakPolarHBondContact O-CA 3.22Å; I103-T112 PolarHBondContact N-O 2.83Å; I103-T112 PolarHBondContact O-N 2.84Å; I103-L114 HydrophobicContact CD1-CD1 3.52Å; I103-L114 HydrophobicContact CD1-CG 4.08Å; I103-L114 HydrophobicContact CG1-CD1 4.19Å; I103-F138 HydrophobicContact CD1-CE1 4.21Å; I103-F167 HydrophobicContact CD1-CE1 3.56Å; I103-F167 HydrophobicContact CD1-CZ 4.15Å
104	F	81.6	Confident	82.6	Confident	34 Å²	34	58.6 Å²	58.6	15%	0.149	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	120.1	173.1	-177.2	-113.4	0	0	0	110.6	F15 I38 H48 L106 G109 I111	F15-F104 HydrophobicContact CZ-CB 4.49Å; I38-F104 HydrophobicContact CD1-CD1 3.83Å; I38-F104 HydrophobicContact CD1-CD2 4.21Å; I38-F104 HydrophobicContact CD1-CE1 3.24Å; I38-F104 HydrophobicContact CD1-CE2 3.65Å; I38-F104 HydrophobicContact CD1-CG 4.28Å; I38-F104 HydrophobicContact CD1-CZ 3.13Å; H48-F104 HydrophobicContact CB-CZ 4.48Å; H48-F104 AromaticContact CD2-CZ 3.94Å; F104-L106 HydrophobicContact CD1-CD2 3.81Å; F104-L106 HydrophobicContact CE1-CD2 3.75Å; F104-G109 WeakPolarHBondContact CE2-O 3.25Å; F104-I111 HydrophobicContact CD2-CD1 4.44Å; F104-I111 HydrophobicContact CD2-CG1 3.56Å; F104-I111 HydrophobicContact CE2-CG1 4.2Å
105	N	79.7	Confident	82.7	Confident	75 Å²	75	60.8 Å²	60.8	40%	0.401	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-83.5	116.1	173.3	-175.1	-35.3	0	0	0	109.5	D107 G108 G109 T110	N105-D107 PolarHBondContact OD1-N 3.18Å; N105-G108 PolarHBondContact OD1-N 3.15Å; N105-G109 VanDerWaalsContact O-CA 3.27Å; N105-G109 WeakPolarHBondContact O-CA 3.3Å; N105-G109 PolarHBondContact O-N 2.99Å; N105-T110 WeakPolarHBondContact CB-OG1 3.44Å; N105-T110 PolarHBondContact N-O 2.85Å
106	L	81.9	Confident	83	Confident	82 Å²	82	58 Å²	58	43%	0.429	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-36	-178.3	-67.3	176.3	0	0	0	113.4	T6 F104	T6-L106 HydrophobicContact CG2-CD1 3.9Å; F104-L106 HydrophobicContact CD1-CD2 3.81Å; F104-L106 HydrophobicContact CE1-CD2 3.75Å
107	D	81.7	Confident	83.4	Confident	166 Å²	166	57.9 Å²	57.9	89%	0.888	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-39.8	-176.4	-61.8	-37.1	0	0	0	111.2	N105	N105-D107 PolarHBondContact OD1-N 3.18Å
108	G	77.7	Confident	83.8	Confident	51 Å²	51	57.4 Å²	57.4	53%	0.526	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-16.8	-178.4	0	0	0	0	0	115	N105 T110	N105-G108 PolarHBondContact OD1-N 3.15Å; G108-T110 PolarHBondContact O-N 3.48Å
109	G	77.7	Confident	84	Confident	12 Å²	12	60.8 Å²	60.8	12%	0.124	36%	0.356	C	S	.	.			trans	67	13.3	-173.8	0	0	0	0	0	114.5	F104 N105	F104-G109 WeakPolarHBondContact CE2-O 3.25Å; N105-G109 VanDerWaalsContact O-CA 3.27Å; N105-G109 WeakPolarHBondContact O-CA 3.3Å; N105-G109 PolarHBondContact O-N 2.99Å
110	T	81.4	Confident	84.3	Confident	77 Å²	77	62.9 Å²	62.9	47%	0.472	37%	0.366	S	S	.	.			trans	-90.5	141.9	-177	58.5	0	0	0	0	111.8	N105 G108	N105-T110 WeakPolarHBondContact CB-OG1 3.44Å; N105-T110 PolarHBondContact N-O 2.85Å; G108-T110 PolarHBondContact O-N 3.48Å
111	I	82.4	Confident	84.7	Confident	51 Å²	51	61.1 Å²	61.1	26%	0.262	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.2	171.4	-62.5	167.7	0	0	0	108.7	L36 A55 A102 I103 F104 V113	L36-I111 HydrophobicContact CD2-CD1 4.3Å; A55-I111 HydrophobicContact CB-CD1 4.32Å; A102-I111 HydrophobicContact CB-CG2 4.02Å; I103-I111 CarbonylContact O-C 3.55Å; I103-I111 WeakPolarHBondContact O-CA 3.22Å; F104-I111 HydrophobicContact CD2-CD1 4.44Å; F104-I111 HydrophobicContact CD2-CG1 3.56Å; F104-I111 HydrophobicContact CE2-CG1 4.2Å; I111-V113 HydrophobicContact CG2-CG2 4.31Å
112	T	82.6	Confident	84.9	Confident	76 Å²	76	60.6 Å²	60.6	47%	0.466	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.8	170.9	-57	0	0	0	0	108.9	A102 I103 L114	A102-T112 CarbonylContact C-O 3.48Å; A102-T112 WeakPolarHBondContact CA-O 3.18Å; I103-T112 PolarHBondContact N-O 2.83Å; I103-T112 PolarHBondContact O-N 2.84Å; T112-L114 HydrophobicContact CG2-CD2 4.22Å
113	V	83.7	Confident	85.1	Confident	52 Å²	52	58.5 Å²	58.5	32%	0.315	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	123.9	175.8	-177.9	0	0	0	0	109	V100 A102 I111 D115	V100-V113 HydrophobicContact CB-CG1 4.01Å; V100-V113 HydrophobicContact CG1-CG1 4.49Å; V100-V113 HydrophobicContact CG2-CG1 3.74Å; A102-V113 HydrophobicContact CB-CG2 4.44Å; I111-V113 HydrophobicContact CG2-CG2 4.31Å; V113-D115 HydrophobicContact CG1-CB 4.5Å
114	L	85.3	Confident	85.1	Confident	22 Å²	22	57.4 Å²	57.4	12%	0.115	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	108.2	171.6	-59	-176.2	0	0	0	108.2	I101 I103 T112 L117 F138 Y165	I101-L114 PolarHBondContact N-O 3.13Å; I101-L114 WeakPolarHBondContact O-CA 3.35Å; I101-L114 WeakPolarHBondContact O-CB 3.42Å; I101-L114 PolarHBondContact O-N 3.36Å; I103-L114 HydrophobicContact CD1-CD1 3.52Å; I103-L114 HydrophobicContact CD1-CG 4.08Å; I103-L114 HydrophobicContact CG1-CD1 4.19Å; T112-L114 HydrophobicContact CG2-CD2 4.22Å; L114-L117 HydrophobicContact CB-CD1 4.18Å; L114-L117 HydrophobicContact CB-CD2 4.03Å; L114-L117 HydrophobicContact CB-CG 4.23Å; L114-F138 HydrophobicContact CD1-CE1 3.69Å; L114-F138 HydrophobicContact CD1-CZ 3.62Å; L114-Y165 HydrophobicContact CD1-CD1 4.27Å; L114-Y165 HydrophobicContact CD1-CE1 3.74Å; L114-Y165 HydrophobicContact CD1-CE2 4.27Å
115	D	83.7	Confident	84.5	Confident	81 Å²	81	60.8 Å²	60.8	43%	0.433	34%	0.342	S	S	.	.			trans	-118.4	153.6	-176.9	-169.1	19.9	0	0	0	110.3	H98 V100 V113 L117	H98-D115 IonicContact CD2-OD1 2.65Å; H98-D115 PolarHBondContact CD2-OD1 2.84Å; H98-D115 VanDerWaalsContact CD2-OD1 3.27Å; H98-D115 IonicContact NE2-OD1 2.95Å; H98-D115 PolarHBondContact NE2-OD1 3.49Å; V100-D115 HydrophobicContact CG1-CB 4.18Å; V100-D115 WeakPolarHBondContact CG1-OD1 3.31Å; V113-D115 HydrophobicContact CG1-CB 4.5Å; D115-L117 VanDerWaalsContact C-N 3.27Å; D115-L117 PolarHBondContact O-N 2.81Å
116	N	85.9	Confident	83.6	Confident	99 Å²	99	58.3 Å²	58.3	53%	0.529	33%	0.329	S	S	.	.			trans	47.7	46.3	-179.6	-61.7	-69.3	0	0	0	113.6	I118	N116-I118 VanDerWaalsContact C-N 3.26Å; N116-I118 PolarHBondContact O-N 2.85Å
117	L	89.9	Confident	82.8	Confident	36 Å²	36	54.5 Å²	54.5	19%	0.188	31%	0.31	C	S	.	.	S	Bend	trans	-62.2	-34.7	-179.4	-74.9	178.3	0	0	0	112.6	I101 L114 D115 F138 F140 Y165 A172	I101-L117 HydrophobicContact CD1-CD1 4.28Å; L114-L117 HydrophobicContact CB-CD1 4.18Å; L114-L117 HydrophobicContact CB-CD2 4.03Å; L114-L117 HydrophobicContact CB-CG 4.23Å; D115-L117 VanDerWaalsContact C-N 3.27Å; D115-L117 PolarHBondContact O-N 2.81Å; L117-F138 HydrophobicContact CD1-CE2 4.47Å; L117-F138 HydrophobicContact CD1-CZ 4.3Å; L117-F140 HydrophobicContact CB-CZ 4.33Å; L117-F140 HydrophobicContact CD1-CE1 3.88Å; L117-F140 HydrophobicContact CD1-CZ 3.81Å; L117-Y165 HydrophobicContact CD1-CD2 4.44Å; L117-Y165 HydrophobicContact CD2-CD2 3.66Å; L117-Y165 HydrophobicContact CD2-CE2 3.57Å; L117-A172 HydrophobicContact CB-CB 3.89Å
118	I	93.3	Very high	82.5	Confident	28 Å²	28	51.4 Å²	51.4	14%	0.144	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-138.6	131.5	171.9	-61.6	-174.6	0	0	0	107.4	N116 D120 W121 V163 A172 F174	N116-I118 VanDerWaalsContact C-N 3.26Å; N116-I118 PolarHBondContact O-N 2.85Å; I118-D120 PolarHBondContact O-N 3.42Å; I118-W121 HydrophobicContact CB-CB 4.13Å; I118-W121 HydrophobicContact CG2-CB 4.02Å; I118-W121 HydrophobicContact CG2-CG 4.29Å; I118-W121 PolarHBondContact O-N 2.78Å; I118-W121 VanDerWaalsContact O-N 3.14Å; I118-W121 VanDerWaalsContact O-O 3.1Å; I118-V163 HydrophobicContact CD1-CB 4.35Å; I118-V163 HydrophobicContact CD1-CG1 3.57Å; I118-V163 HydrophobicContact CD1-CG2 3.75Å; I118-V163 HydrophobicContact CG1-CG1 4.41Å; I118-A172 HydrophobicContact CD1-CB 4.15Å; I118-A172 HydrophobicContact CG1-CB 3.77Å; I118-F174 HydrophobicContact CD1-CD1 4.02Å; I118-F174 HydrophobicContact CD1-CD2 4.39Å; I118-F174 HydrophobicContact CD1-CE1 3.75Å; I118-F174 HydrophobicContact CD1-CE2 4.16Å; I118-F174 HydrophobicContact CD1-CG 4.33Å; I118-F174 HydrophobicContact CD1-CZ 3.85Å; I118-F174 HydrophobicContact CG2-CE1 4.5Å; I118-F174 HydrophobicContact CG2-CE2 3.88Å; I118-F174 HydrophobicContact CG2-CZ 3.66Å
119	D	91	Very high	82.9	Confident	136 Å²	136	51.5 Å²	51.5	73%	0.727	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	130.9	179.4	-66.4	-22.5	0	0	0	111.3	W121	D119-W121 VanDerWaalsContact O-CD1 3.26Å; D119-W121 PolarHBondContact O-N 3.09Å
120	D	91.1	Very high	83.3	Confident	64 Å²	64	52.4 Å²	52.4	34%	0.342	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	1	179.1	-57.5	-29.2	0	0	0	116.1	I118 N144 E145 K146	I118-D120 PolarHBondContact O-N 3.42Å; D120-N144 CarbonylContact O-C 3.52Å; D120-N144 WeakPolarHBondContact O-CA 3.38Å; D120-N144 PolarHBondContact O-OD1 3.37Å; D120-E145 PolarHBondContact O-N 2.75Å; D120-K146 HydrophobicContact CB-CD 4.36Å; D120-K146 WeakPolarHBondContact OD1-CE 3.29Å; D120-K146 IonicContact OD1-NZ 3.5Å; D120-K146 PolarHBondContact OD1-NZ 3.07Å; D120-K146 WeakPolarHBondContact OD2-CD 3.46Å; D120-K146 IonicContact OD2-NZ 3.89Å; D120-K146 PolarHBondContact OD2-NZ 3.18Å
121	W	93.4	Very high	83.7	Confident	29 Å²	29	52.2 Å²	52.2	11%	0.11	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.5	-179.4	-72.8	79.5	0	0	0	111.5	I118 D119 A142 M143 N144 E159 R161 F174	I118-W121 HydrophobicContact CB-CB 4.13Å; I118-W121 HydrophobicContact CG2-CB 4.02Å; I118-W121 HydrophobicContact CG2-CG 4.29Å; I118-W121 PolarHBondContact O-N 2.78Å; I118-W121 VanDerWaalsContact O-N 3.14Å; I118-W121 VanDerWaalsContact O-O 3.1Å; D119-W121 VanDerWaalsContact O-CD1 3.26Å; D119-W121 PolarHBondContact O-N 3.09Å; W121-A142 HydrophobicContact CB-CB 4.24Å; W121-A142 HydrophobicContact CE3-CB 4.03Å; W121-A142 WeakPolarHBondContact CZ3-O 3.35Å; W121-M143 CarbonylContact C-O 3.48Å; W121-M143 VanDerWaalsContact CA-O 3.3Å; W121-M143 WeakPolarHBondContact CA-O 3.36Å; W121-N144 HydrophobicContact CD2-CB 4.1Å; W121-N144 HydrophobicContact CE3-CB 4.3Å; W121-N144 HydrophobicContact CH2-CB 4.06Å; W121-N144 HydrophobicContact CZ2-CB 3.89Å; W121-N144 HydrophobicContact CZ3-CB 4.25Å; W121-E159 HydrophobicContact CH2-CG 3.98Å; W121-R161 HydrophobicContact CE3-CB 4.43Å; W121-R161 HydrophobicContact CE3-CG 4.11Å; W121-R161 HydrophobicContact CH2-CG 3.46Å; W121-R161 VanDerWaalsContact CH2-CG 3.46Å; W121-R161 HydrophobicContact CZ2-CG 4.12Å; W121-R161 HydrophobicContact CZ3-CB 4.08Å; W121-R161 HydrophobicContact CZ3-CG 3.45Å; W121-R161 VanDerWaalsContact CZ3-CG 3.45Å; W121-F174 HydrophobicContact CB-CZ 4.31Å; W121-F174 AromaticContact CD1-CZ 3.77Å; W121-F174 HydrophobicContact CD2-CE1 4.05Å; W121-F174 AromaticContact CD2-CZ 3.72Å; W121-F174 HydrophobicContact CD2-CZ 3.72Å; W121-F174 AromaticContact CE2-CZ 3.86Å; W121-F174 HydrophobicContact CE3-CE1 4.21Å; W121-F174 HydrophobicContact CE3-CZ 4.34Å; W121-F174 HydrophobicContact CG-CE1 4.24Å; W121-F174 AromaticContact CG-CZ 3.69Å; W121-F174 HydrophobicContact CG-CZ 3.69Å; W121-F174 AromaticContact NE1-CZ 3.88Å
122	T	91	Very high	84.1	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.012	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	150.7	178.7	58.3	0	0	0	0	112.7	W89 H98 A142 M143 E145	W89-T122 WeakPolarHBondContact CZ2-OG1 3.23Å; H98-T122 WeakPolarHBondContact CE1-CG2 3.21Å; H98-T122 VanDerWaalsContact ND1-CG2 3.31Å; H98-T122 WeakPolarHBondContact ND1-CG2 3.44Å; T122-A142 CarbonylContact O-C 3.35Å; T122-A142 WeakPolarHBondContact O-CA 3.29Å; T122-M143 PolarHBondContact N-O 2.95Å; T122-M143 PolarHBondContact O-N 2.63Å; T122-E145 HydrophobicContact CG2-CG 3.7Å; T122-E145 VanDerWaalsContact CG2-OE1 3.28Å; T122-E145 WeakPolarHBondContact CG2-OE1 3.41Å
123	P	89.7	Confident	84.3	Confident	17 Å²	17	51.2 Å²	51.2	11%	0.11	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.9	144.9	166.4	-20.4	28.7	0	0	0	112.7	P99 I101 F140	P99-P123 VanDerWaalsContact CB-O 3.28Å; P99-P123 WeakPolarHBondContact CB-O 3.35Å; P99-P123 WeakPolarHBondContact CG-O 3.48Å; I101-P123 HydrophobicContact CD1-CB 4.05Å; I101-P123 HydrophobicContact CD1-CG 3.66Å; I101-P123 HydrophobicContact CG1-CB 3.97Å; I101-P123 HydrophobicContact CG1-CG 3.59Å; P123-F140 HydrophobicContact CB-CD2 3.91Å; P123-F140 HydrophobicContact CB-CE2 4.27Å; P123-F140 HydrophobicContact CG-CD2 3.97Å; P123-F140 HydrophobicContact CG-CE2 3.85Å
124	T	83.1	Confident	84.6	Confident	16 Å²	16	54.3 Å²	54.3	10%	0.098	28%	0.282	C	S	.	.			trans	-100.3	151.7	174.1	67.9	0	0	0	0	111.3	V126 V141 M143	T124-V126 VanDerWaalsContact C-N 3.28Å; T124-V141 HydrophobicContact CG2-CG1 4.39Å; T124-V141 PolarHBondContact N-O 3.28Å; T124-V141 PolarHBondContact OG1-O 3.02Å; T124-M143 HydrophobicContact CG2-CB 3.74Å; T124-M143 HydrophobicContact CG2-CG 3.26Å; T124-M143 HydrophobicContact CG2-SD 3.39Å; T124-M143 WeakPolarHBondContact CG2-SD 3.47Å
125	E	68.7	Low	84.8	Confident	105 Å²	105	55 Å²	55	49%	0.491	30%	0.295	S	S	.	.	S	Bend	trans	-74.7	-20.7	172.5	-61.6	-160.1	144.8	0	0	112.9	M93 I96 S127	M93-E125 HydrophobicContact SD-CG 4.39Å; I96-E125 VanDerWaalsContact CD1-CD 3.45Å; I96-E125 HydrophobicContact CD1-CG 4.5Å; I96-E125 WeakPolarHBondContact CD1-OE1 3.31Å; E125-S127 VanDerWaalsContact C-N 3.27Å; E125-S127 PolarHBondContact O-N 3.04Å
126	V	61.5	Low	85.1	Confident	22 Å²	22	53 Å²	53	13%	0.133	29%	0.287	C	S	.	.	S	Bend	trans	-70.1	-26.5	-171.4	-168.7	0	0	0	0	111.9	T124 R152	T124-V126 VanDerWaalsContact C-N 3.28Å; V126-R152 HydrophobicContact CG2-CB 4.27Å; V126-R152 HydrophobicContact CG2-CG 4.14Å
127	S	64.2	Low	85.5	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.014	26%	0.262	C	S	.	.	S	Bend	trans	-130.6	115.1	166.8	67.4	0	0	0	0	110.3	E125 V141	E125-S127 VanDerWaalsContact C-N 3.27Å; E125-S127 PolarHBondContact O-N 3.04Å; S127-V141 WeakPolarHBondContact OG-CB 3.07Å; S127-V141 WeakPolarHBondContact OG-CG2 3.41Å
128	Y	74.4	Confident	85.6	Confident	101 Å²	101	46.9 Å²	46.9	40%	0.396	25%	0.254	S	S	.	.			trans	-53.4	148.4	170.5	-57.5	-80.1	0	0	0	110.9	R3 Y5 V130	R3-Y128 HydrophobicContact CB-CE1 4.32Å; Y5-Y128 HydrophobicContact CE2-CD1 4.38Å; Y5-Y128 HydrophobicContact CE2-CD2 4.45Å; Y5-Y128 HydrophobicContact CE2-CG 4.17Å; Y128-V130 PolarHBondContact O-N 2.84Å
129	P	86.6	Confident	85.4	Confident	54 Å²	54	46 Å²	46	35%	0.351	25%	0.249	S	C	.	.			trans	-54.9	136.8	168.2	-23.5	33.3	0	0	0	110.9	I101 F138 M139 F140	I101-P129 HydrophobicContact CD1-CB 4.37Å; I101-P129 HydrophobicContact CD1-CG 3.78Å; I101-P129 HydrophobicContact CG1-CG 3.81Å; I101-P129 HydrophobicContact CG2-CG 4.45Å; P129-F138 HydrophobicContact CB-CD2 4.16Å; P129-M139 CarbonylContact C-O 3.48Å; P129-M139 WeakPolarHBondContact CA-O 3.31Å; P129-F140 HydrophobicContact CB-CB 4.32Å; P129-F140 HydrophobicContact CG-CB 4.34Å
130	V	87.2	Confident	85.5	Confident	30 Å²	30	39.6 Å²	39.6	18%	0.182	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	128.6	-179.4	-176.2	0	0	0	0	108.7	Y128 F138 M139 P185 F187	Y128-V130 PolarHBondContact O-N 2.84Å; V130-F138 CarbonylContact O-C 3.58Å; V130-F138 VanDerWaalsContact O-CA 3.25Å; V130-F138 WeakPolarHBondContact O-CA 3.46Å; V130-F138 WeakPolarHBondContact O-CB 3.43Å; V130-M139 PolarHBondContact N-O 2.88Å; V130-M139 PolarHBondContact O-N 3.33Å; V130-P185 HydrophobicContact CG2-CG 4.08Å; V130-F187 HydrophobicContact CG1-CD2 3.77Å; V130-F187 HydrophobicContact CG1-CE2 4.14Å
131	W	89.4	Confident	85.5	Confident	74 Å²	74	36.5 Å²	36.5	28%	0.28	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	139.6	175.1	-70.7	110.9	0	0	0	111.4	Y5 F138 F167 F187	Y5-W131 PolarHBondContact O-NE1 3.49Å; Y5-W131 VanDerWaalsContact O-NE1 3.07Å; W131-F138 HydrophobicContact CE3-CB 4.23Å; W131-F138 HydrophobicContact CZ3-CD1 4.48Å; W131-F167 HydrophobicContact CH2-CE2 4.41Å; W131-F167 AromaticContact CH2-CZ 3.99Å; W131-F167 HydrophobicContact CH2-CZ 3.99Å; W131-F167 AromaticContact CZ3-CE2 3.61Å; W131-F167 HydrophobicContact CZ3-CE2 3.61Å; W131-F167 AromaticContact CZ3-CZ 3.51Å; W131-F167 HydrophobicContact CZ3-CZ 3.51Å; W131-F187 WeakPolarHBondContact O-CD2 3.43Å; W131-F187 WeakPolarHBondContact O-CE2 3.44Å
132	Q	90.2	Very high	85.5	Confident	29 Å²	29	35.1 Å²	35.1	14%	0.136	19%	0.193	C	C	.	.			trans	-68.9	143.3	165.8	-67.5	179.1	20.6	0	0	108.9	D134 G135 S136 G137 F138 M139 S164 Y165	Q132-D134 PolarHBondContact O-N 3.12Å; Q132-D134 VanDerWaalsContact O-N 3.15Å; Q132-G135 PolarHBondContact O-N 2.82Å; Q132-S136 PolarHBondContact OE1-OG 2.98Å; Q132-G137 WeakPolarHBondContact CB-O 3.34Å; Q132-G137 PolarHBondContact N-O 3.38Å; Q132-F138 PolarHBondContact NE2-O 3Å; Q132-M139 HydrophobicContact CG-CG 4.19Å; Q132-S164 PolarHBondContact NE2-OG 2.97Å; Q132-Y165 PolarHBondContact NE2-O 2.85Å
133	P	88	Confident	85.5	Confident	76 Å²	76	35.6 Å²	35.6	49%	0.494	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-29.9	-174.2	-27.5	35.4	0	0	0	114.8	G135 F187 G191	P133-G135 VanDerWaalsContact C-N 3.29Å; P133-F187 HydrophobicContact CG-CB 4.32Å; P133-F187 HydrophobicContact CG-CD1 3.6Å; P133-F187 HydrophobicContact CG-CD2 4.23Å; P133-F187 HydrophobicContact CG-CE1 3.86Å; P133-F187 HydrophobicContact CG-CE2 4.46Å; P133-F187 HydrophobicContact CG-CG 3.8Å; P133-F187 HydrophobicContact CG-CZ 4.28Å; P133-G191 WeakPolarHBondContact CG-O 3.49Å
134	D	89.2	Confident	85.6	Confident	117 Å²	117	37 Å²	37	63%	0.626	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-1.2	177.6	68.3	-5.7	0	0	0	113.5	Q132 S136	Q132-D134 PolarHBondContact O-N 3.12Å; Q132-D134 VanDerWaalsContact O-N 3.15Å; D134-S136 VanDerWaalsContact CG-CB 3.5Å; D134-S136 PolarHBondContact O-N 3.21Å; D134-S136 WeakPolarHBondContact OD1-CB 3.5Å; D134-S136 PolarHBondContact OD1-N 3.43Å; D134-S136 PolarHBondContact OD1-OG 3.38Å; D134-S136 WeakPolarHBondContact OD2-CB 3.45Å; D134-S136 PolarHBondContact OD2-OG 3Å
135	G	89.2	Confident	85.8	Confident	38 Å²	38	37.5 Å²	37.5	39%	0.392	20%	0.203	S	C	.	.	S	Bend	trans	67.1	9.2	-175.8	0	0	0	0	0	114.4	Q132 P133 G137	Q132-G135 PolarHBondContact O-N 2.82Å; P133-G135 VanDerWaalsContact C-N 3.29Å; G135-G137 PolarHBondContact O-N 2.86Å
136	S	91.1	Very high	86.7	Confident	39 Å²	39	38.1 Å²	38.1	27%	0.273	21%	0.205	S	C	.	.	S	Bend	trans	-74.4	-8.2	-177.2	73.5	0	0	0	0	113.7	Q132 D134 F167	Q132-S136 PolarHBondContact OE1-OG 2.98Å; D134-S136 VanDerWaalsContact CG-CB 3.5Å; D134-S136 PolarHBondContact O-N 3.21Å; D134-S136 WeakPolarHBondContact OD1-CB 3.5Å; D134-S136 PolarHBondContact OD1-N 3.43Å; D134-S136 PolarHBondContact OD1-OG 3.38Å; D134-S136 WeakPolarHBondContact OD2-CB 3.45Å; D134-S136 PolarHBondContact OD2-OG 3Å; S136-F167 VanDerWaalsContact C-CD2 3.44Å; S136-F167 VanDerWaalsContact O-CD2 3.28Å; S136-F167 WeakPolarHBondContact O-CD2 3.37Å; S136-F167 PolarHBondContact O-N 3.26Å
137	G	92.5	Very high	87.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.9	-164.2	-174.7	0	0	0	0	0	112.7	Q132 G135 Y165	Q132-G137 WeakPolarHBondContact CB-O 3.34Å; Q132-G137 PolarHBondContact N-O 3.38Å; G135-G137 PolarHBondContact O-N 2.86Å; G137-Y165 CarbonylContact C-O 3.55Å; G137-Y165 WeakPolarHBondContact CA-O 3.43Å
138	F	92.6	Very high	88.9	Confident	5 Å²	5	46 Å²	46	2%	0.022	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	169.9	174.3	59.9	-97.3	0	0	0	110.4	I101 I103 L114 L117 P129 V130 W131 Q132 F140 Y165 F167	I101-F138 HydrophobicContact CB-CZ 4.47Å; I101-F138 HydrophobicContact CD1-CD2 4.22Å; I101-F138 HydrophobicContact CD1-CE2 3.45Å; I101-F138 VanDerWaalsContact CD1-CE2 3.45Å; I101-F138 HydrophobicContact CD1-CZ 4.11Å; I101-F138 HydrophobicContact CG2-CE1 4.29Å; I101-F138 HydrophobicContact CG2-CE2 4.04Å; I101-F138 HydrophobicContact CG2-CZ 3.76Å; I103-F138 HydrophobicContact CD1-CE1 4.21Å; L114-F138 HydrophobicContact CD1-CE1 3.69Å; L114-F138 HydrophobicContact CD1-CZ 3.62Å; L117-F138 HydrophobicContact CD1-CE2 4.47Å; L117-F138 HydrophobicContact CD1-CZ 4.3Å; P129-F138 HydrophobicContact CB-CD2 4.16Å; V130-F138 CarbonylContact O-C 3.58Å; V130-F138 VanDerWaalsContact O-CA 3.25Å; V130-F138 WeakPolarHBondContact O-CA 3.46Å; V130-F138 WeakPolarHBondContact O-CB 3.43Å; W131-F138 HydrophobicContact CE3-CB 4.23Å; W131-F138 HydrophobicContact CZ3-CD1 4.48Å; Q132-F138 PolarHBondContact NE2-O 3Å; F138-F140 AromaticContact CD2-CD1 3.88Å; F138-F140 HydrophobicContact CD2-CD1 3.88Å; F138-F140 HydrophobicContact CD2-CE1 4.5Å; F138-F140 AromaticContact CE2-CD1 3.59Å; F138-F140 HydrophobicContact CE2-CD1 3.59Å; F138-F140 AromaticContact CE2-CE1 3.84Å; F138-F140 HydrophobicContact CE2-CE1 3.84Å; F138-Y165 AromaticContact CD1-CD1 3.86Å; F138-Y165 HydrophobicContact CD1-CD1 3.86Å; F138-Y165 AromaticContact CE1-CD1 3.21Å; F138-Y165 HydrophobicContact CE1-CD1 3.21Å; F138-Y165 AromaticContact CE1-CE1 3.8Å; F138-Y165 HydrophobicContact CE1-CE1 3.8Å; F138-Y165 AromaticContact CE1-CG 3.86Å; F138-Y165 HydrophobicContact CE1-CG 3.86Å; F138-Y165 HydrophobicContact CE2-CD1 4.31Å; F138-Y165 HydrophobicContact CE2-CG 4.15Å; F138-Y165 AromaticContact CZ-CD1 3.47Å; F138-Y165 HydrophobicContact CZ-CD1 3.47Å; F138-Y165 VanDerWaalsContact CZ-CD1 3.47Å; F138-Y165 HydrophobicContact CZ-CD2 4.45Å; F138-Y165 HydrophobicContact CZ-CE1 4.21Å; F138-Y165 AromaticContact CZ-CG 3.6Å; F138-Y165 HydrophobicContact CZ-CG 3.6Å; F138-Y165 PolarHBondContact N-O 3.11Å; F138-Y165 VanDerWaalsContact N-O 3.08Å; F138-Y165 PolarHBondContact O-N 3.32Å; F138-F167 HydrophobicContact CD1-CE1 4.34Å; F138-F167 HydrophobicContact CD1-CZ 4.05Å; F138-F167 HydrophobicContact CE1-CE1 4.26Å; F138-F167 HydrophobicContact CE1-CZ 4.4Å
139	M	90.3	Very high	89.6	Confident	9 Å²	9	42.5 Å²	42.5	4%	0.044	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.8	176.2	-69	178.8	50.4	0	0	110.2	P129 V130 Q132 L162 V163 I175 F187 L194	P129-M139 CarbonylContact C-O 3.48Å; P129-M139 WeakPolarHBondContact CA-O 3.31Å; V130-M139 PolarHBondContact N-O 2.88Å; V130-M139 PolarHBondContact O-N 3.33Å; Q132-M139 HydrophobicContact CG-CG 4.19Å; M139-L162 HydrophobicContact CE-CD1 3.75Å; M139-L162 HydrophobicContact CE-CD2 3.49Å; M139-L162 VanDerWaalsContact CE-CD2 3.49Å; M139-L162 HydrophobicContact CE-CG 3.58Å; M139-V163 CarbonylContact C-O 3.56Å; M139-V163 WeakPolarHBondContact CA-O 3.49Å; M139-I175 HydrophobicContact CE-CD1 3.2Å; M139-I175 HydrophobicContact CE-CG1 4.42Å; M139-I175 HydrophobicContact SD-CD1 4.12Å; M139-F187 HydrophobicContact SD-CE2 3.91Å; M139-F187 HydrophobicContact SD-CZ 3.46Å; M139-F187 WeakPolarHBondContact SD-CZ 3.39Å; M139-L194 HydrophobicContact CE-CD1 4.47Å; M139-L194 HydrophobicContact CE-CD2 3.42Å; M139-L194 VanDerWaalsContact CE-CD2 3.42Å; M139-L194 HydrophobicContact SD-CD2 4.25Å
140	F	91.4	Very high	89.6	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.009	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	157.5	178.6	62.7	-81.9	0	0	0	110.4	I101 L117 P123 P129 F138 A142 V163	I101-F140 HydrophobicContact CD1-CB 3.98Å; I101-F140 HydrophobicContact CD1-CD1 3.58Å; I101-F140 HydrophobicContact CD1-CD2 3.97Å; I101-F140 HydrophobicContact CD1-CE1 3.95Å; I101-F140 HydrophobicContact CD1-CE2 4.3Å; I101-F140 HydrophobicContact CD1-CG 3.58Å; I101-F140 HydrophobicContact CD1-CZ 4.28Å; L117-F140 HydrophobicContact CB-CZ 4.33Å; L117-F140 HydrophobicContact CD1-CE1 3.88Å; L117-F140 HydrophobicContact CD1-CZ 3.81Å; P123-F140 HydrophobicContact CB-CD2 3.91Å; P123-F140 HydrophobicContact CB-CE2 4.27Å; P123-F140 HydrophobicContact CG-CD2 3.97Å; P123-F140 HydrophobicContact CG-CE2 3.85Å; P129-F140 HydrophobicContact CB-CB 4.32Å; P129-F140 HydrophobicContact CG-CB 4.34Å; F138-F140 AromaticContact CD2-CD1 3.88Å; F138-F140 HydrophobicContact CD2-CD1 3.88Å; F138-F140 HydrophobicContact CD2-CE1 4.5Å; F138-F140 AromaticContact CE2-CD1 3.59Å; F138-F140 HydrophobicContact CE2-CD1 3.59Å; F138-F140 AromaticContact CE2-CE1 3.84Å; F138-F140 HydrophobicContact CE2-CE1 3.84Å; F140-A142 HydrophobicContact CD2-CB 4.21Å; F140-A142 HydrophobicContact CE2-CB 3.87Å; F140-V163 HydrophobicContact CD1-CB 4.07Å; F140-V163 HydrophobicContact CD1-CG1 4.21Å; F140-V163 HydrophobicContact CD2-CB 4.25Å; F140-V163 HydrophobicContact CE1-CB 3.71Å; F140-V163 HydrophobicContact CE1-CG1 3.41Å; F140-V163 VanDerWaalsContact CE1-CG1 3.41Å; F140-V163 HydrophobicContact CE2-CB 3.91Å; F140-V163 HydrophobicContact CE2-CG1 4.15Å; F140-V163 HydrophobicContact CE2-CG2 4.11Å; F140-V163 HydrophobicContact CG-CB 4.35Å; F140-V163 HydrophobicContact CZ-CB 3.64Å; F140-V163 HydrophobicContact CZ-CG1 3.39Å; F140-V163 HydrophobicContact CZ-CG2 4.17Å; F140-V163 PolarHBondContact N-O 2.85Å; F140-V163 PolarHBondContact O-N 3.22Å
141	V	91.7	Very high	89.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.8	170.7	178.7	0	0	0	0	108.4	T124 S127 C160 R161 L162 I182 P185	T124-V141 HydrophobicContact CG2-CG1 4.39Å; T124-V141 PolarHBondContact N-O 3.28Å; T124-V141 PolarHBondContact OG1-O 3.02Å; S127-V141 WeakPolarHBondContact OG-CB 3.07Å; S127-V141 WeakPolarHBondContact OG-CG2 3.41Å; V141-C160 HydrophobicContact CG1-CB 3.5Å; V141-C160 VanDerWaalsContact CG1-CB 3.5Å; V141-R161 CarbonylContact C-O 3.58Å; V141-R161 WeakPolarHBondContact CA-O 3.12Å; V141-L162 HydrophobicContact CG2-CD1 4.25Å; V141-I182 WeakPolarHBondContact CG1-O 3.44Å; V141-I182 HydrophobicContact CG2-CG2 4.23Å; V141-P185 HydrophobicContact CG2-CG 4.3Å
142	A	92.7	Very high	89.5	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	150.7	178	0	0	0	0	0	111.6	W121 T122 F140 C160 R161 V163	W121-A142 HydrophobicContact CB-CB 4.24Å; W121-A142 HydrophobicContact CE3-CB 4.03Å; W121-A142 WeakPolarHBondContact CZ3-O 3.35Å; T122-A142 CarbonylContact O-C 3.35Å; T122-A142 WeakPolarHBondContact O-CA 3.29Å; F140-A142 HydrophobicContact CD2-CB 4.21Å; F140-A142 HydrophobicContact CE2-CB 3.87Å; A142-C160 CarbonylContact O-C 3.59Å; A142-C160 VanDerWaalsContact O-CA 3.23Å; A142-C160 WeakPolarHBondContact O-CA 3.38Å; A142-R161 PolarHBondContact N-O 3.26Å; A142-R161 PolarHBondContact O-N 3Å; A142-V163 HydrophobicContact CB-CG2 3.64Å
143	M	92.1	Very high	89.1	Confident	11 Å²	11	38.2 Å²	38.2	5%	0.054	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	149.1	173.1	-81.6	176.5	75.2	0	0	111	W89 W121 T122 T124 L150 R152 R158 C160	W89-M143 HydrophobicContact CH2-CB 4Å; W89-M143 HydrophobicContact CZ3-CB 4.27Å; W89-M143 HydrophobicContact CZ3-CE 4.12Å; W121-M143 CarbonylContact C-O 3.48Å; W121-M143 VanDerWaalsContact CA-O 3.3Å; W121-M143 WeakPolarHBondContact CA-O 3.36Å; T122-M143 PolarHBondContact N-O 2.95Å; T122-M143 PolarHBondContact O-N 2.63Å; T124-M143 HydrophobicContact CG2-CB 3.74Å; T124-M143 HydrophobicContact CG2-CG 3.26Å; T124-M143 HydrophobicContact CG2-SD 3.39Å; T124-M143 WeakPolarHBondContact CG2-SD 3.47Å; M143-L150 WeakPolarHBondContact CE-O 3.34Å; M143-R152 HydrophobicContact CE-CB 3.74Å; M143-R152 HydrophobicContact SD-CB 3.39Å; M143-R152 WeakPolarHBondContact SD-CB 3.08Å; M143-R152 HydrophobicContact SD-CG 4.16Å; M143-R158 HydrophobicContact CE-CB 4.11Å; M143-C160 HydrophobicContact CG-CB 4.33Å; M143-C160 WeakPolarHBondContact CG-SG 3.4Å
144	N	91.8	Very high	88.9	Confident	48 Å²	48	38.9 Å²	38.9	26%	0.257	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	131.8	177.4	-163.2	-32.3	0	0	0	110.7	W89 D120 W121 K146	W89-N144 WeakPolarHBondContact CH2-O 3.34Å; D120-N144 CarbonylContact O-C 3.52Å; D120-N144 WeakPolarHBondContact O-CA 3.38Å; D120-N144 PolarHBondContact O-OD1 3.37Å; W121-N144 HydrophobicContact CD2-CB 4.1Å; W121-N144 HydrophobicContact CE3-CB 4.3Å; W121-N144 HydrophobicContact CH2-CB 4.06Å; W121-N144 HydrophobicContact CZ2-CB 3.89Å; W121-N144 HydrophobicContact CZ3-CB 4.25Å; N144-K146 PolarHBondContact OD1-N 2.86Å; N144-K146 PolarHBondContact OD1-O 2.98Å
145	E	88	Confident	88.8	Confident	25 Å²	25	33.3 Å²	33.3	12%	0.117	18%	0.181	C	C	.	.			trans	-80.5	-15.5	176.2	-67.9	-155.3	128.4	0	0	113.6	W89 H98 D120 T122 K149	W89-E145 HydrophobicContact CH2-CG 4.02Å; W89-E145 HydrophobicContact CZ2-CG 3.67Å; H98-E145 IonicContact CE1-OE1 3.78Å; H98-E145 IonicContact CE1-OE2 3.93Å; H98-E145 IonicContact CG-OE1 2.78Å; H98-E145 IonicContact ND1-OE1 3.56Å; H98-E145 PolarHBondContact ND1-OE1 2.91Å; H98-E145 IonicContact ND1-OE2 2.66Å; H98-E145 PolarHBondContact ND1-OE2 3.15Å; D120-E145 PolarHBondContact O-N 2.75Å; T122-E145 HydrophobicContact CG2-CG 3.7Å; T122-E145 VanDerWaalsContact CG2-OE1 3.28Å; T122-E145 WeakPolarHBondContact CG2-OE1 3.41Å; E145-K149 WeakPolarHBondContact O-CG 3.4Å; E145-K149 WeakPolarHBondContact OE1-CE 3.35Å; E145-K149 IonicContact OE1-NZ 3.41Å; E145-K149 PolarHBondContact OE1-NZ 3.14Å; E145-K149 IonicContact OE2-NZ 3.71Å
146	K	87.5	Confident	88.4	Confident	119 Å²	119	32.5 Å²	32.5	52%	0.517	17%	0.167	S	C	.	.	S	Bend	trans	-116.7	154	-172.7	-69.9	-175	-174.4	157.1	0	112.5	D120 N144 I148	D120-K146 HydrophobicContact CB-CD 4.36Å; D120-K146 WeakPolarHBondContact OD1-CE 3.29Å; D120-K146 IonicContact OD1-NZ 3.5Å; D120-K146 PolarHBondContact OD1-NZ 3.07Å; D120-K146 WeakPolarHBondContact OD2-CD 3.46Å; D120-K146 IonicContact OD2-NZ 3.89Å; D120-K146 PolarHBondContact OD2-NZ 3.18Å; N144-K146 PolarHBondContact OD1-N 2.86Å; N144-K146 PolarHBondContact OD1-O 2.98Å; K146-I148 VanDerWaalsContact C-N 3.29Å
147	P	84.8	Confident	88.2	Confident	96 Å²	96	31 Å²	31	62%	0.623	16%	0.156	S	C	*	.	S	Bend	cis	-76.1	-13.3	-8.5	32.1	-35.8	0	0	0	113.4
148	I	85.5	Confident	88	Confident	93 Å²	93	31.7 Å²	31.7	48%	0.477	16%	0.159	S	C	.	.	S	Bend	trans	-138.5	137.9	-175.9	-58.9	171.3	0	0	0	107.9	E87 K146 L150	E87-I148 WeakPolarHBondContact OE1-CA 3.44Å; K146-I148 VanDerWaalsContact C-N 3.29Å; I148-L150 HydrophobicContact CG2-CD2 4.13Å; I148-L150 HydrophobicContact CG2-CG 4.31Å; I148-L150 PolarHBondContact O-N 3.17Å
149	K	89	Confident	87.9	Confident	27 Å²	27	34.4 Å²	34.4	12%	0.117	17%	0.171	C	C	.	.			trans	-78.2	114.8	173.5	-65.1	-175.9	-176.6	-170.9	0	110.5	E87 W89 C97 E145	E87-K149 HydrophobicContact CB-CD 4.34Å; E87-K149 HydrophobicContact CG-CB 4.11Å; E87-K149 HydrophobicContact CG-CD 4.05Å; E87-K149 HydrophobicContact CG-CG 4.1Å; E87-K149 PolarHBondContact OE1-N 3.21Å; W89-K149 HydrophobicContact CD2-CB 3.99Å; W89-K149 HydrophobicContact CD2-CD 4.21Å; W89-K149 HydrophobicContact CD2-CG 4.27Å; W89-K149 HydrophobicContact CE3-CB 3.72Å; W89-K149 HydrophobicContact CE3-CG 4.22Å; W89-K149 HydrophobicContact CH2-CG 4.39Å; W89-K149 HydrophobicContact CZ2-CD 4.34Å; W89-K149 HydrophobicContact CZ2-CG 4.38Å; W89-K149 HydrophobicContact CZ3-CB 4.1Å; W89-K149 HydrophobicContact CZ3-CG 4.29Å; C97-K149 PolarHBondContact O-NZ 3.42Å; E145-K149 WeakPolarHBondContact O-CG 3.4Å; E145-K149 WeakPolarHBondContact OE1-CE 3.35Å; E145-K149 IonicContact OE1-NZ 3.41Å; E145-K149 PolarHBondContact OE1-NZ 3.14Å; E145-K149 IonicContact OE2-NZ 3.71Å
150	L	87.7	Confident	88	Confident	34 Å²	34	34 Å²	34	18%	0.178	17%	0.169	C	C	.	.			trans	-120	93.8	177.6	-69.1	-175.9	0	0	0	108.1	M143 I148 R152 R158 P476 L488	M143-L150 WeakPolarHBondContact CE-O 3.34Å; I148-L150 HydrophobicContact CG2-CD2 4.13Å; I148-L150 HydrophobicContact CG2-CG 4.31Å; I148-L150 PolarHBondContact O-N 3.17Å; L150-R152 PolarHBondContact O-N 2.95Å; L150-R158 WeakPolarHBondContact O-CD 3.39Å; L150-R158 PolarHBondContact O-NH1 2.93Å; L150-P476 HydrophobicContact CD2-CG 4.16Å; L150-L488 HydrophobicContact CD1-CD2 4.1Å
151	G	87.6	Confident	88	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.01	18%	0.175	C	C	.	.			trans	-84.8	79.9	-164.1	0	0	0	0	0	118.9	W89 E91 M93 L153	W89-G151 VanDerWaalsContact O-CA 3.26Å; W89-G151 WeakPolarHBondContact O-CA 3.45Å; W89-G151 PolarHBondContact O-N 2.81Å; E91-G151 WeakPolarHBondContact CB-O 3.25Å; E91-G151 VanDerWaalsContact CG-C 3.45Å; E91-G151 WeakPolarHBondContact CG-O 3.43Å; M93-G151 VanDerWaalsContact CE-C 3.49Å; M93-G151 WeakPolarHBondContact CE-O 3.27Å; G151-L153 VanDerWaalsContact C-N 3.35Å; G151-L153 PolarHBondContact O-N 3.2Å
152	R	85.4	Confident	88	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.008	18%	0.175	C	C	.	.			trans	-4	-6.2	170.2	-165.2	165.7	-173	-71.8	-12.4	127.5	E91 V126 M143 L150 F154 C155 C160 I182 S183	E91-R152 WeakPolarHBondContact OE1-CA 3.19Å; E91-R152 PolarHBondContact OE1-N 3.08Å; V126-R152 HydrophobicContact CG2-CB 4.27Å; V126-R152 HydrophobicContact CG2-CG 4.14Å; M143-R152 HydrophobicContact CE-CB 3.74Å; M143-R152 HydrophobicContact SD-CB 3.39Å; M143-R152 WeakPolarHBondContact SD-CB 3.08Å; M143-R152 HydrophobicContact SD-CG 4.16Å; L150-R152 PolarHBondContact O-N 2.95Å; R152-F154 VanDerWaalsContact C-N 3.25Å; R152-F154 PolarHBondContact O-N 3.38Å; R152-F154 VanDerWaalsContact O-N 3.1Å; R152-C155 PolarHBondContact O-N 3.33Å; R152-C160 WeakPolarHBondContact CD-SG 3.25Å; R152-C160 PolarHBondContact NE-SG 2.88Å; R152-I182 PolarHBondContact NH2-O 3.21Å; R152-S183 PolarHBondContact NH2-OG 3.14Å
153	L	82.9	Confident	88.1	Confident	60 Å²	60	35.6 Å²	35.6	31%	0.314	18%	0.175	S	C	.	.	S	Bend	trans	-55.2	-37	-171.5	-175.1	61.1	0	0	0	113.7	E91 Q92 G151	E91-L153 HydrophobicContact CB-CB 4.14Å; E91-L153 WeakPolarHBondContact O-CD2 3.28Å; E91-L153 PolarHBondContact OE2-N 3.32Å; Q92-L153 HydrophobicContact CB-CD2 4.41Å; G151-L153 VanDerWaalsContact C-N 3.35Å; G151-L153 PolarHBondContact O-N 3.2Å
154	F	83	Confident	88.2	Confident	90 Å²	90	35.9 Å²	35.9	40%	0.395	18%	0.179	S	C	.	.	S	Bend	trans	-116	-12.9	175.6	-56.5	-79.6	0	0	0	113.1	E91 Q92 R152 F156	E91-F154 WeakPolarHBondContact OE2-CA 3.35Å; E91-F154 WeakPolarHBondContact OE2-CB 3.39Å; E91-F154 PolarHBondContact OE2-N 3.17Å; Q92-F154 VanDerWaalsContact CD-CE2 3.49Å; Q92-F154 HydrophobicContact CG-CE2 4Å; R152-F154 VanDerWaalsContact C-N 3.25Å; R152-F154 PolarHBondContact O-N 3.38Å; R152-F154 VanDerWaalsContact O-N 3.1Å; F154-F156 WeakPolarHBondContact O-CE2 3.41Å
155	C	87	Confident	88.3	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.			trans	-108.5	86.6	-176	-44.3	0	0	0	0	111.7	E91 R152 N157 R158 H205 I475	E91-C155 VanDerWaalsContact OE1-CB 3.23Å; E91-C155 WeakPolarHBondContact OE1-CB 3.48Å; E91-C155 PolarHBondContact OE1-SG 3.02Å; E91-C155 PolarHBondContact OE2-N 2.99Å; E91-C155 PolarHBondContact OE2-SG 3.21Å; R152-C155 PolarHBondContact O-N 3.33Å; C155-N157 PolarHBondContact O-N 2.93Å; C155-R158 HydrophobicContact CB-CG 4.37Å; C155-H205 PolarHBondContact SG-CE1 3.38Å; C155-H205 PolarHBondContact SG-NE2 2.83Å; C155-I475 VanDerWaalsContact SG-CG2 3.52Å
156	F	82.7	Confident	88.6	Confident	21 Å²	21	35 Å²	35	9%	0.092	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-0.8	-173.1	-48.8	-70.2	0	0	0	115.5	F154 A181 A206 R208	F154-F156 WeakPolarHBondContact O-CE2 3.41Å; F156-A181 WeakPolarHBondContact O-CB 3.33Å; F156-A206 HydrophobicContact CD2-CB 3.82Å; F156-A206 HydrophobicContact CE2-CB 4.17Å; F156-R208 VanDerWaalsContact CZ-NH2 3.32Å
157	N	86.3	Confident	88.8	Confident	7 Å²	7	33.3 Å²	33.3	4%	0.037	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	18.4	-173.7	62.8	-36.1	0	0	0	113.6	C155 G202 G203	C155-N157 PolarHBondContact O-N 2.93Å; N157-G202 WeakPolarHBondContact CB-O 3.36Å; N157-G202 PolarHBondContact ND2-O 2.91Å; N157-G202 PolarHBondContact O-N 2.87Å; N157-G203 PolarHBondContact ND2-O 3.02Å
158	R	88.8	Confident	89.2	Confident	16 Å²	16	38.4 Å²	38.4	6%	0.06	18%	0.181	C	C	.	.	S	Bend	trans	-99.5	142	-177.3	-64.4	174.7	175.8	-174.6	-11.5	110.8	E91 M143 L150 C155 C160 A181 I475 D477	E91-R158 IonicContact OE1-CZ 3.05Å; E91-R158 VanDerWaalsContact OE1-CZ 3.3Å; E91-R158 IonicContact OE1-NE 3.67Å; E91-R158 IonicContact OE1-NH1 2.84Å; E91-R158 PolarHBondContact OE1-NH1 2.96Å; M143-R158 HydrophobicContact CE-CB 4.11Å; L150-R158 WeakPolarHBondContact O-CD 3.39Å; L150-R158 PolarHBondContact O-NH1 2.93Å; C155-R158 HydrophobicContact CB-CG 4.37Å; R158-C160 PolarHBondContact O-N 3.02Å; R158-C160 PolarHBondContact O-SG 2.84Å; R158-A181 WeakPolarHBondContact O-CA 3.39Å; R158-A181 WeakPolarHBondContact O-CB 3.47Å; R158-I475 VanDerWaalsContact NH2-CG2 3.29Å; R158-D477 IonicContact CZ-OD1 2.94Å; R158-D477 IonicContact CZ-OD2 3.75Å; R158-D477 IonicContact NE-OD2 3.33Å; R158-D477 PolarHBondContact NE-OD2 2.83Å; R158-D477 VanDerWaalsContact NH2-CG 3.31Å; R158-D477 IonicContact NH2-OD1 3.55Å; R158-D477 PolarHBondContact NH2-OD1 3.4Å; R158-D477 IonicContact NH2-OD2 3.15Å; R158-D477 PolarHBondContact NH2-OD2 3.49Å
159	E	90.1	Very high	89.5	Confident	62 Å²	62	37.2 Å²	37.2	29%	0.29	18%	0.181	S	C	.	.			trans	-56	125.4	-174.9	-166.3	-174.1	173.7	0	0	111	W121 R161 I201	W121-E159 HydrophobicContact CH2-CG 3.98Å; E159-R161 IonicContact OE1-CZ 2.64Å; E159-R161 IonicContact OE1-NE 2.56Å; E159-R161 PolarHBondContact OE1-NE 2.83Å; E159-R161 IonicContact OE1-NH2 3.3Å; E159-R161 PolarHBondContact OE1-NH2 3.23Å; E159-I201 HydrophobicContact CB-CG2 3.91Å; E159-I201 HydrophobicContact CG-CG2 4.28Å
160	C	91.2	Very high	89.7	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	152.3	173.4	-54.8	0	0	0	0	110.2	V141 A142 M143 R152 R158 N180 I182	V141-C160 HydrophobicContact CG1-CB 3.5Å; V141-C160 VanDerWaalsContact CG1-CB 3.5Å; A142-C160 CarbonylContact O-C 3.59Å; A142-C160 VanDerWaalsContact O-CA 3.23Å; A142-C160 WeakPolarHBondContact O-CA 3.38Å; M143-C160 HydrophobicContact CG-CB 4.33Å; M143-C160 WeakPolarHBondContact CG-SG 3.4Å; R152-C160 WeakPolarHBondContact CD-SG 3.25Å; R152-C160 PolarHBondContact NE-SG 2.88Å; R158-C160 PolarHBondContact O-N 3.02Å; R158-C160 PolarHBondContact O-SG 2.84Å; C160-N180 PolarHBondContact N-O 2.87Å; C160-I182 HydrophobicContact CB-CB 4.3Å
161	R	92.1	Very high	89.9	Confident	34 Å²	34	43.5 Å²	43.5	13%	0.128	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.2	176.8	-56.4	-68.5	-168.7	109.2	15.2	110.6	W121 V141 A142 E159 F174 S176 P177 P178	W121-R161 HydrophobicContact CE3-CB 4.43Å; W121-R161 HydrophobicContact CE3-CG 4.11Å; W121-R161 HydrophobicContact CH2-CG 3.46Å; W121-R161 VanDerWaalsContact CH2-CG 3.46Å; W121-R161 HydrophobicContact CZ2-CG 4.12Å; W121-R161 HydrophobicContact CZ3-CB 4.08Å; W121-R161 HydrophobicContact CZ3-CG 3.45Å; W121-R161 VanDerWaalsContact CZ3-CG 3.45Å; V141-R161 CarbonylContact C-O 3.58Å; V141-R161 WeakPolarHBondContact CA-O 3.12Å; A142-R161 PolarHBondContact N-O 3.26Å; A142-R161 PolarHBondContact O-N 3Å; E159-R161 IonicContact OE1-CZ 2.64Å; E159-R161 IonicContact OE1-NE 2.56Å; E159-R161 PolarHBondContact OE1-NE 2.83Å; E159-R161 IonicContact OE1-NH2 3.3Å; E159-R161 PolarHBondContact OE1-NH2 3.23Å; R161-F174 HydrophobicContact CB-CD1 3.35Å; R161-F174 HydrophobicContact CB-CE1 3.47Å; R161-F174 VanDerWaalsContact CB-CE1 3.47Å; R161-F174 HydrophobicContact CB-CG 4.38Å; R161-F174 HydrophobicContact CG-CD1 3.87Å; R161-F174 HydrophobicContact CG-CE1 3.77Å; R161-F174 HydrophobicContact CG-CZ 4.44Å; R161-S176 WeakPolarHBondContact CA-OG 3.34Å; R161-P177 WeakPolarHBondContact CD-O 3.39Å; R161-P177 VanDerWaalsContact NH1-C 3.34Å; R161-P177 PolarHBondContact NH1-O 3.33Å; R161-P178 VanDerWaalsContact CZ-CB 3.44Å; R161-P178 VanDerWaalsContact NH1-CG 3.3Å
162	L	92	Very high	90.3	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126.7	168.2	-168.1	55.9	0	0	0	109.3	M139 V141 I175 S176 I182 P185 L194 Y196	M139-L162 HydrophobicContact CE-CD1 3.75Å; M139-L162 HydrophobicContact CE-CD2 3.49Å; M139-L162 VanDerWaalsContact CE-CD2 3.49Å; M139-L162 HydrophobicContact CE-CG 3.58Å; V141-L162 HydrophobicContact CG2-CD1 4.25Å; L162-I175 HydrophobicContact CB-CD1 4.45Å; L162-I175 HydrophobicContact CB-CG1 3.89Å; L162-I175 HydrophobicContact CD2-CD1 3.7Å; L162-I175 HydrophobicContact CD2-CG1 3.99Å; L162-I175 HydrophobicContact CG-CD1 3.72Å; L162-I175 HydrophobicContact CG-CG1 3.71Å; L162-I175 WeakPolarHBondContact O-CG1 3.43Å; L162-I175 PolarHBondContact O-N 2.86Å; L162-S176 PolarHBondContact N-OG 3.32Å; L162-I182 HydrophobicContact CB-CG2 4.47Å; L162-P185 HydrophobicContact CD1-CB 3.92Å; L162-P185 HydrophobicContact CD1-CG 3.98Å; L162-L194 HydrophobicContact CD2-CD2 3.97Å; L162-Y196 HydrophobicContact CD2-CD1 3.79Å; L162-Y196 HydrophobicContact CD2-CE1 3.99Å; L162-Y196 HydrophobicContact CD2-CG 4.39Å
163	V	93.9	Very high	90.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.4	-178	-178.7	0	0	0	0	109.3	I118 M139 F140 A142 A172 Q173 F174	I118-V163 HydrophobicContact CD1-CB 4.35Å; I118-V163 HydrophobicContact CD1-CG1 3.57Å; I118-V163 HydrophobicContact CD1-CG2 3.75Å; I118-V163 HydrophobicContact CG1-CG1 4.41Å; M139-V163 CarbonylContact C-O 3.56Å; M139-V163 WeakPolarHBondContact CA-O 3.49Å; F140-V163 HydrophobicContact CD1-CB 4.07Å; F140-V163 HydrophobicContact CD1-CG1 4.21Å; F140-V163 HydrophobicContact CD2-CB 4.25Å; F140-V163 HydrophobicContact CE1-CB 3.71Å; F140-V163 HydrophobicContact CE1-CG1 3.41Å; F140-V163 VanDerWaalsContact CE1-CG1 3.41Å; F140-V163 HydrophobicContact CE2-CB 3.91Å; F140-V163 HydrophobicContact CE2-CG1 4.15Å; F140-V163 HydrophobicContact CE2-CG2 4.11Å; F140-V163 HydrophobicContact CG-CB 4.35Å; F140-V163 HydrophobicContact CZ-CB 3.64Å; F140-V163 HydrophobicContact CZ-CG1 3.39Å; F140-V163 HydrophobicContact CZ-CG2 4.17Å; F140-V163 PolarHBondContact N-O 2.85Å; F140-V163 PolarHBondContact O-N 3.22Å; A142-V163 HydrophobicContact CB-CG2 3.64Å; V163-A172 HydrophobicContact CG1-CB 3.76Å; V163-Q173 WeakPolarHBondContact CA-O 3.39Å; V163-F174 HydrophobicContact CG2-CD1 3.59Å; V163-F174 HydrophobicContact CG2-CE1 3.68Å
164	S	94.2	Very high	91.4	Very high	18 Å²	18	51.1 Å²	51.1	13%	0.126	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.9	171.1	176.7	0	0	0	0	109.8	Q132 A172 Q173	Q132-S164 PolarHBondContact NE2-OG 2.97Å; S164-A172 CarbonylContact O-C 3.52Å; S164-A172 VanDerWaalsContact O-CA 3.28Å; S164-A172 WeakPolarHBondContact O-CA 3.38Å; S164-Q173 PolarHBondContact N-O 2.6Å; S164-Q173 PolarHBondContact O-N 3.06Å
165	Y	94.4	Very high	91.8	Very high	22 Å²	22	50.5 Å²	50.5	9%	0.086	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.3	174.3	176.9	-94.8	0	0	0	110.1	L114 L117 Q132 G137 F138 F167 K171 A172	L114-Y165 HydrophobicContact CD1-CD1 4.27Å; L114-Y165 HydrophobicContact CD1-CE1 3.74Å; L114-Y165 HydrophobicContact CD1-CE2 4.27Å; L117-Y165 HydrophobicContact CD1-CD2 4.44Å; L117-Y165 HydrophobicContact CD2-CD2 3.66Å; L117-Y165 HydrophobicContact CD2-CE2 3.57Å; Q132-Y165 PolarHBondContact NE2-O 2.85Å; G137-Y165 CarbonylContact C-O 3.55Å; G137-Y165 WeakPolarHBondContact CA-O 3.43Å; F138-Y165 AromaticContact CD1-CD1 3.86Å; F138-Y165 HydrophobicContact CD1-CD1 3.86Å; F138-Y165 AromaticContact CE1-CD1 3.21Å; F138-Y165 HydrophobicContact CE1-CD1 3.21Å; F138-Y165 AromaticContact CE1-CE1 3.8Å; F138-Y165 HydrophobicContact CE1-CE1 3.8Å; F138-Y165 AromaticContact CE1-CG 3.86Å; F138-Y165 HydrophobicContact CE1-CG 3.86Å; F138-Y165 HydrophobicContact CE2-CD1 4.31Å; F138-Y165 HydrophobicContact CE2-CG 4.15Å; F138-Y165 AromaticContact CZ-CD1 3.47Å; F138-Y165 HydrophobicContact CZ-CD1 3.47Å; F138-Y165 VanDerWaalsContact CZ-CD1 3.47Å; F138-Y165 HydrophobicContact CZ-CD2 4.45Å; F138-Y165 HydrophobicContact CZ-CE1 4.21Å; F138-Y165 AromaticContact CZ-CG 3.6Å; F138-Y165 HydrophobicContact CZ-CG 3.6Å; F138-Y165 PolarHBondContact N-O 3.11Å; F138-Y165 VanDerWaalsContact N-O 3.08Å; F138-Y165 PolarHBondContact O-N 3.32Å; Y165-F167 HydrophobicContact CD1-CD1 4.33Å; Y165-F167 HydrophobicContact CD1-CE1 4.22Å; Y165-F167 AromaticContact CE1-CD1 3.65Å; Y165-F167 HydrophobicContact CE1-CD1 3.65Å; Y165-F167 AromaticContact CE1-CE1 3.74Å; Y165-F167 HydrophobicContact CE1-CE1 3.74Å; Y165-K171 WeakPolarHBondContact CA-O 3.33Å; Y165-A172 HydrophobicContact CD2-CB 4.17Å
166	S	94.7	Very high	91.9	Very high	32 Å²	32	50.9 Å²	50.9	22%	0.224	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.4	178.1	176	0	0	0	0	111.8	K168 S169 G170 K171	S166-K168 VanDerWaalsContact C-N 3.3Å; S166-K168 PolarHBondContact O-N 2.94Å; S166-K168 PolarHBondContact OG-N 3.1Å; S166-S169 WeakPolarHBondContact CB-OG 3.41Å; S166-G170 WeakPolarHBondContact O-CA 3.45Å; S166-G170 PolarHBondContact O-N 3.46Å; S166-K171 PolarHBondContact N-O 3.43Å; S166-K171 VanDerWaalsContact N-O 3.12Å
167	F	92	Very high	92	Very high	83 Å²	83	53.1 Å²	53.1	36%	0.364	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-32.3	174.4	-65.9	-51.5	0	0	0	113.4	I103 W131 S136 F138 Y165	I103-F167 HydrophobicContact CD1-CE1 3.56Å; I103-F167 HydrophobicContact CD1-CZ 4.15Å; W131-F167 HydrophobicContact CH2-CE2 4.41Å; W131-F167 AromaticContact CH2-CZ 3.99Å; W131-F167 HydrophobicContact CH2-CZ 3.99Å; W131-F167 AromaticContact CZ3-CE2 3.61Å; W131-F167 HydrophobicContact CZ3-CE2 3.61Å; W131-F167 AromaticContact CZ3-CZ 3.51Å; W131-F167 HydrophobicContact CZ3-CZ 3.51Å; S136-F167 VanDerWaalsContact C-CD2 3.44Å; S136-F167 VanDerWaalsContact O-CD2 3.28Å; S136-F167 WeakPolarHBondContact O-CD2 3.37Å; S136-F167 PolarHBondContact O-N 3.26Å; F138-F167 HydrophobicContact CD1-CE1 4.34Å; F138-F167 HydrophobicContact CD1-CZ 4.05Å; F138-F167 HydrophobicContact CE1-CE1 4.26Å; F138-F167 HydrophobicContact CE1-CZ 4.4Å; Y165-F167 HydrophobicContact CD1-CD1 4.33Å; Y165-F167 HydrophobicContact CD1-CE1 4.22Å; Y165-F167 AromaticContact CE1-CD1 3.65Å; Y165-F167 HydrophobicContact CE1-CD1 3.65Å; Y165-F167 AromaticContact CE1-CE1 3.74Å; Y165-F167 HydrophobicContact CE1-CE1 3.74Å
168	K	92.4	Very high	92.2	Very high	203 Å²	203	56.9 Å²	56.9	88%	0.883	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-41.1	-177.9	-175.9	178.8	178.8	-179.6	0	111.6	S166	S166-K168 VanDerWaalsContact C-N 3.3Å; S166-K168 PolarHBondContact O-N 2.94Å; S166-K168 PolarHBondContact OG-N 3.1Å
169	S	93.2	Very high	92.1	Very high	69 Å²	69	57.4 Å²	57.4	48%	0.483	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-21.5	-179.4	66.2	0	0	0	0	113.4	S166 K171	S166-S169 WeakPolarHBondContact CB-OG 3.41Å; S169-K171 PolarHBondContact O-N 3.4Å; S169-K171 PolarHBondContact OG-N 3.21Å
170	G	91.3	Very high	91.9	Very high	43 Å²	43	55.2 Å²	55.2	44%	0.443	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	21.4	-171	0	0	0	0	0	113.2	S166	S166-G170 WeakPolarHBondContact O-CA 3.45Å; S166-G170 PolarHBondContact O-N 3.46Å
171	K	93.8	Very high	91.6	Very high	150 Å²	150	55.2 Å²	55.2	65%	0.652	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	143.8	-175	-65.2	-175.8	178.8	-174.2	0	111.6	Y165 S166 S169	Y165-K171 WeakPolarHBondContact CA-O 3.33Å; S166-K171 PolarHBondContact N-O 3.43Å; S166-K171 VanDerWaalsContact N-O 3.12Å; S169-K171 PolarHBondContact O-N 3.4Å; S169-K171 PolarHBondContact OG-N 3.21Å
172	A	95.4	Very high	91.3	Very high	20 Å²	20	53.7 Å²	53.7	17%	0.165	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	143.9	166.7	0	0	0	0	0	110.6	L117 I118 V163 S164 Y165	L117-A172 HydrophobicContact CB-CB 3.89Å; I118-A172 HydrophobicContact CD1-CB 4.15Å; I118-A172 HydrophobicContact CG1-CB 3.77Å; V163-A172 HydrophobicContact CG1-CB 3.76Å; S164-A172 CarbonylContact O-C 3.52Å; S164-A172 VanDerWaalsContact O-CA 3.28Å; S164-A172 WeakPolarHBondContact O-CA 3.38Å; Y165-A172 HydrophobicContact CD2-CB 4.17Å
173	Q	95.6	Very high	91.1	Very high	126 Å²	126	54 Å²	54	59%	0.589	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.2	143.2	177.3	65.8	-175.4	10.1	0	0	111.2	V163 S164 I175	V163-Q173 WeakPolarHBondContact CA-O 3.39Å; S164-Q173 PolarHBondContact N-O 2.6Å; S164-Q173 PolarHBondContact O-N 3.06Å; Q173-I175 HydrophobicContact CG-CG2 4.37Å
174	F	95.6	Very high	90.6	Very high	76 Å²	76	54 Å²	54	33%	0.333	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	138.8	169.4	-63.7	-58.8	0	0	0	110.4	I118 W121 R161 V163	I118-F174 HydrophobicContact CD1-CD1 4.02Å; I118-F174 HydrophobicContact CD1-CD2 4.39Å; I118-F174 HydrophobicContact CD1-CE1 3.75Å; I118-F174 HydrophobicContact CD1-CE2 4.16Å; I118-F174 HydrophobicContact CD1-CG 4.33Å; I118-F174 HydrophobicContact CD1-CZ 3.85Å; I118-F174 HydrophobicContact CG2-CE1 4.5Å; I118-F174 HydrophobicContact CG2-CE2 3.88Å; I118-F174 HydrophobicContact CG2-CZ 3.66Å; W121-F174 HydrophobicContact CB-CZ 4.31Å; W121-F174 AromaticContact CD1-CZ 3.77Å; W121-F174 HydrophobicContact CD2-CE1 4.05Å; W121-F174 AromaticContact CD2-CZ 3.72Å; W121-F174 HydrophobicContact CD2-CZ 3.72Å; W121-F174 AromaticContact CE2-CZ 3.86Å; W121-F174 HydrophobicContact CE3-CE1 4.21Å; W121-F174 HydrophobicContact CE3-CZ 4.34Å; W121-F174 HydrophobicContact CG-CE1 4.24Å; W121-F174 AromaticContact CG-CZ 3.69Å; W121-F174 HydrophobicContact CG-CZ 3.69Å; W121-F174 AromaticContact NE1-CZ 3.88Å; R161-F174 HydrophobicContact CB-CD1 3.35Å; R161-F174 HydrophobicContact CB-CE1 3.47Å; R161-F174 VanDerWaalsContact CB-CE1 3.47Å; R161-F174 HydrophobicContact CB-CG 4.38Å; R161-F174 HydrophobicContact CG-CD1 3.87Å; R161-F174 HydrophobicContact CG-CE1 3.77Å; R161-F174 HydrophobicContact CG-CZ 4.44Å; V163-F174 HydrophobicContact CG2-CD1 3.59Å; V163-F174 HydrophobicContact CG2-CE1 3.68Å
175	I	91.6	Very high	90.3	Very high	78 Å²	78	53.2 Å²	53.2	40%	0.4	29%	0.291	S	S	.	.			trans	-120.8	-15.1	174.6	65.3	168.2	0	0	0	112.9	M139 L162 Q173	M139-I175 HydrophobicContact CE-CD1 3.2Å; M139-I175 HydrophobicContact CE-CG1 4.42Å; M139-I175 HydrophobicContact SD-CD1 4.12Å; L162-I175 HydrophobicContact CB-CD1 4.45Å; L162-I175 HydrophobicContact CB-CG1 3.89Å; L162-I175 HydrophobicContact CD2-CD1 3.7Å; L162-I175 HydrophobicContact CD2-CG1 3.99Å; L162-I175 HydrophobicContact CG-CD1 3.72Å; L162-I175 HydrophobicContact CG-CG1 3.71Å; L162-I175 WeakPolarHBondContact O-CG1 3.43Å; L162-I175 PolarHBondContact O-N 2.86Å; Q173-I175 HydrophobicContact CG-CG2 4.37Å
176	S	88	Confident	89.8	Confident	8 Å²	8	53.6 Å²	53.6	6%	0.056	29%	0.292	C	S	.	.	S	Bend	trans	-98.1	153.1	173.5	68.4	0	0	0	0	111.9	R161 L162 I182	R161-S176 WeakPolarHBondContact CA-OG 3.34Å; L162-S176 PolarHBondContact N-OG 3.32Å; S176-I182 WeakPolarHBondContact OG-CD1 3.35Å
177	P	85.6	Confident	89.4	Confident	68 Å²	68	54.3 Å²	54.3	44%	0.442	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-66.1	166.7	174.7	28	-35	0	0	0	113.4	R161	R161-P177 WeakPolarHBondContact CD-O 3.39Å; R161-P177 VanDerWaalsContact NH1-C 3.34Å; R161-P177 PolarHBondContact NH1-O 3.33Å
178	P	90.1	Very high	88.9	Confident	86 Å²	86	50.6 Å²	50.6	56%	0.558	28%	0.276	S	S	*	.	S	Bend	trans	-67.1	165.2	167.8	-14.4	26.6	0	0	0	115.7	R161 N180	R161-P178 VanDerWaalsContact CZ-CB 3.44Å; R161-P178 VanDerWaalsContact NH1-CG 3.3Å; P178-N180 VanDerWaalsContact C-N 3.34Å
179	G	86.8	Confident	88.4	Confident	27 Å²	27	46.1 Å²	46.1	28%	0.278	26%	0.261	S	S	.	.	S	Bend	trans	84	8.4	164.3	0	0	0	0	0	114.7	I201	G179-I201 WeakPolarHBondContact O-CG1 3.35Å; G179-I201 WeakPolarHBondContact O-CG2 3.4Å; G179-I201 PolarHBondContact O-N 2.86Å
180	N	85.8	Confident	87.9	Confident	15 Å²	15	47.7 Å²	47.7	8%	0.08	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	150	-178.3	-61	-41	0	0	0	111.8	C160 P178 I182 T199 D211	C160-N180 PolarHBondContact N-O 2.87Å; P178-N180 VanDerWaalsContact C-N 3.34Å; N180-I182 HydrophobicContact CB-CD1 4.47Å; N180-I182 HydrophobicContact CB-CG1 4.13Å; N180-T199 CarbonylContact C-O 3.55Å; N180-T199 VanDerWaalsContact CA-O 3.24Å; N180-T199 WeakPolarHBondContact CA-O 3.48Å; N180-D211 PolarHBondContact ND2-OD2 2.81Å; N180-D211 PolarHBondContact OD1-OD2 3.19Å
181	A	86.4	Confident	87.6	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.9	161.4	0	0	0	0	0	108.6	F156 R158 A198 T199	F156-A181 WeakPolarHBondContact O-CB 3.33Å; R158-A181 WeakPolarHBondContact O-CA 3.39Å; R158-A181 WeakPolarHBondContact O-CB 3.47Å; A181-A198 CarbonylContact O-C 3.59Å; A181-A198 WeakPolarHBondContact O-CA 3.49Å; A181-T199 HydrophobicContact CB-CG2 3.8Å; A181-T199 PolarHBondContact N-O 2.8Å; A181-T199 PolarHBondContact O-N 2.86Å
182	I	85.6	Confident	87	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	143.8	-171.6	-64.4	175.9	0	0	0	110.3	V141 R152 C160 L162 S176 N180 Y196 L197 A198	V141-I182 WeakPolarHBondContact CG1-O 3.44Å; V141-I182 HydrophobicContact CG2-CG2 4.23Å; R152-I182 PolarHBondContact NH2-O 3.21Å; C160-I182 HydrophobicContact CB-CB 4.3Å; L162-I182 HydrophobicContact CB-CG2 4.47Å; S176-I182 WeakPolarHBondContact OG-CD1 3.35Å; N180-I182 HydrophobicContact CB-CD1 4.47Å; N180-I182 HydrophobicContact CB-CG1 4.13Å; I182-Y196 HydrophobicContact CD1-CE2 4.48Å; I182-Y196 HydrophobicContact CG2-CD2 3.87Å; I182-Y196 HydrophobicContact CG2-CE2 4.5Å; I182-Y196 HydrophobicContact CG2-CG 4.33Å; I182-L197 CarbonylContact C-O 3.59Å; I182-L197 VanDerWaalsContact CA-O 3.26Å; I182-L197 WeakPolarHBondContact CA-O 3.38Å; I182-A198 HydrophobicContact CG1-CB 4.28Å
183	S	86.3	Confident	86.3	Confident	9 Å²	9	47.5 Å²	47.5	6%	0.063	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	165.8	172.6	29.7	0	0	0	0	113.4	R152 Y196 L197	R152-S183 PolarHBondContact NH2-OG 3.14Å; S183-Y196 WeakPolarHBondContact O-CB 3.33Å; S183-L197 PolarHBondContact N-O 3.11Å; S183-L197 PolarHBondContact O-N 3.35Å
184	S	84.9	Confident	85.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.2	55	164.3	-83.9	0	0	0	0	115.1	R186 D236 L237	S184-R186 PolarHBondContact O-N 3.03Å; S184-R186 PolarHBondContact OG-NH2 2.84Å; S184-D236 VanDerWaalsContact OG-CA 3.3Å; S184-D236 WeakPolarHBondContact OG-CA 3.49Å; S184-D236 VanDerWaalsContact OG-CB 3.31Å; S184-D236 WeakPolarHBondContact OG-CB 3.33Å; S184-D236 PolarHBondContact OG-OD1 2.96Å; S184-L237 PolarHBondContact OG-N 3.32Å
185	P	87.3	Confident	84.9	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	129.3	168.8	27.5	-33.5	0	0	0	110.9	V130 V141 L162 L194 V195	V130-P185 HydrophobicContact CG2-CG 4.08Å; V141-P185 HydrophobicContact CG2-CG 4.3Å; L162-P185 HydrophobicContact CD1-CB 3.92Å; L162-P185 HydrophobicContact CD1-CG 3.98Å; P185-L194 HydrophobicContact CB-CD1 4.07Å; P185-V195 CarbonylContact C-O 3.57Å; P185-V195 WeakPolarHBondContact CA-O 3.31Å
186	R	84.1	Confident	84.5	Confident	30 Å²	30	40 Å²	40	11%	0.113	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	117.1	-179.3	-59.4	-65.2	179.2	-94.7	-4.7	110.8	S184 V195 L237 P238 H239 W242	S184-R186 PolarHBondContact O-N 3.03Å; S184-R186 PolarHBondContact OG-NH2 2.84Å; R186-V195 HydrophobicContact CB-CG1 3.87Å; R186-V195 PolarHBondContact N-O 3.4Å; R186-V195 PolarHBondContact O-N 3.19Å; R186-L237 HydrophobicContact CB-CD1 4.35Å; R186-L237 HydrophobicContact CG-CB 3.87Å; R186-L237 HydrophobicContact CG-CD1 3.81Å; R186-L237 HydrophobicContact CG-CG 4.49Å; R186-L237 PolarHBondContact NE-O 2.81Å; R186-L237 PolarHBondContact NH2-O 3.2Å; R186-P238 WeakPolarHBondContact CD-O 3.3Å; R186-P238 PolarHBondContact NE-O 2.88Å; R186-H239 WeakPolarHBondContact CD-O 3.43Å; R186-W242 PolarHBondContact O-NE1 2.86Å
187	F	84.9	Confident	84.2	Confident	48 Å²	48	40.1 Å²	40.1	21%	0.211	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	144.3	169.9	-73.5	-77.1	0	0	0	111.1	V130 W131 P133 M139 K193 L194 W242	V130-F187 HydrophobicContact CG1-CD2 3.77Å; V130-F187 HydrophobicContact CG1-CE2 4.14Å; W131-F187 WeakPolarHBondContact O-CD2 3.43Å; W131-F187 WeakPolarHBondContact O-CE2 3.44Å; P133-F187 HydrophobicContact CG-CB 4.32Å; P133-F187 HydrophobicContact CG-CD1 3.6Å; P133-F187 HydrophobicContact CG-CD2 4.23Å; P133-F187 HydrophobicContact CG-CE1 3.86Å; P133-F187 HydrophobicContact CG-CE2 4.46Å; P133-F187 HydrophobicContact CG-CG 3.8Å; P133-F187 HydrophobicContact CG-CZ 4.28Å; M139-F187 HydrophobicContact SD-CE2 3.91Å; M139-F187 HydrophobicContact SD-CZ 3.46Å; M139-F187 WeakPolarHBondContact SD-CZ 3.39Å; F187-K193 CarbonylContact C-O 3.45Å; F187-K193 WeakPolarHBondContact CA-O 3.42Å; F187-L194 HydrophobicContact CD1-CB 4.14Å; F187-L194 HydrophobicContact CD1-CD1 4.14Å; F187-L194 HydrophobicContact CD2-CD1 4.25Å; F187-L194 HydrophobicContact CE1-CB 4.06Å; F187-L194 HydrophobicContact CE1-CD1 4.11Å; F187-L194 HydrophobicContact CE2-CD1 4.22Å; F187-L194 HydrophobicContact CG-CD1 4.21Å; F187-L194 HydrophobicContact CZ-CD1 4.16Å; F187-W242 VanDerWaalsContact C-NE1 3.34Å; F187-W242 PolarHBondContact O-NE1 3.27Å
188	S	81.5	Confident	83.9	Confident	5 Å²	5	37.5 Å²	37.5	4%	0.035	21%	0.209	C	C	.	.			trans	-61.2	158.8	162	49.8	0	0	0	0	111	D190 G191 T192 K193	S188-D190 VanDerWaalsContact C-N 3.26Å; S188-D190 PolarHBondContact O-N 3.36Å; S188-D190 PolarHBondContact OG-OD1 2.97Å; S188-D190 VanDerWaalsContact OG-OD1 3.08Å; S188-G191 WeakPolarHBondContact O-CA 3.49Å; S188-G191 PolarHBondContact O-N 3.32Å; S188-T192 PolarHBondContact OG-N 2.82Å; S188-K193 PolarHBondContact N-O 3.02Å; S188-K193 WeakPolarHBondContact OG-CA 3.33Å; S188-K193 WeakPolarHBondContact OG-CB 3.16Å; S188-K193 PolarHBondContact OG-N 3.04Å; S188-K193 PolarHBondContact OG-O 3.15Å
189	L	83.6	Confident	83.3	Confident	108 Å²	108	33.6 Å²	33.6	57%	0.565	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-34.4	-175.3	-83.6	78.8	0	0	0	113.1	G191 W242	L189-G191 VanDerWaalsContact C-N 3.26Å; L189-W242 HydrophobicContact CD1-CB 3.78Å
190	D	82.8	Confident	83	Confident	102 Å²	102	37.1 Å²	37.1	55%	0.545	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-3	176.4	66.6	10.9	0	0	0	113.3	S188 T192	S188-D190 VanDerWaalsContact C-N 3.26Å; S188-D190 PolarHBondContact O-N 3.36Å; S188-D190 PolarHBondContact OG-OD1 2.97Å; S188-D190 VanDerWaalsContact OG-OD1 3.08Å; D190-T192 HydrophobicContact CB-CG2 4.31Å; D190-T192 VanDerWaalsContact CG-OG1 3.23Å; D190-T192 PolarHBondContact O-N 3.32Å; D190-T192 WeakPolarHBondContact OD1-CB 3.49Å; D190-T192 WeakPolarHBondContact OD1-CG2 3.03Å; D190-T192 PolarHBondContact OD1-N 2.87Å; D190-T192 PolarHBondContact OD1-OG1 2.85Å; D190-T192 PolarHBondContact OD2-OG1 3.07Å
191	G	85	Confident	83.1	Confident	17 Å²	17	39.5 Å²	39.5	18%	0.175	21%	0.205	C	C	.	.	S	Bend	trans	73.6	2.1	-179.6	0	0	0	0	0	115.5	P133 S188 L189	P133-G191 WeakPolarHBondContact CG-O 3.49Å; S188-G191 WeakPolarHBondContact O-CA 3.49Å; S188-G191 PolarHBondContact O-N 3.32Å; L189-G191 VanDerWaalsContact C-N 3.26Å
192	T	80.7	Confident	83.1	Confident	101 Å²	101	40.2 Å²	40.2	62%	0.62	21%	0.213	S	C	*	.	S	Bend	trans	-81.7	-23.8	-171.9	64.5	0	0	0	0	113.4	S188 D190	S188-T192 PolarHBondContact OG-N 2.82Å; D190-T192 HydrophobicContact CB-CG2 4.31Å; D190-T192 VanDerWaalsContact CG-OG1 3.23Å; D190-T192 PolarHBondContact O-N 3.32Å; D190-T192 WeakPolarHBondContact OD1-CB 3.49Å; D190-T192 WeakPolarHBondContact OD1-CG2 3.03Å; D190-T192 PolarHBondContact OD1-N 2.87Å; D190-T192 PolarHBondContact OD1-OG1 2.85Å; D190-T192 PolarHBondContact OD2-OG1 3.07Å
193	K	80.3	Confident	83.1	Confident	92 Å²	92	40.5 Å²	40.5	40%	0.4	22%	0.216	S	C	.	.			trans	-122.5	147.7	179.3	-55.6	176	-167.8	168.3	0	111.5	F187 S188 W242 G246	F187-K193 CarbonylContact C-O 3.45Å; F187-K193 WeakPolarHBondContact CA-O 3.42Å; S188-K193 PolarHBondContact N-O 3.02Å; S188-K193 WeakPolarHBondContact OG-CA 3.33Å; S188-K193 WeakPolarHBondContact OG-CB 3.16Å; S188-K193 PolarHBondContact OG-N 3.04Å; S188-K193 PolarHBondContact OG-O 3.15Å; K193-W242 HydrophobicContact CB-CH2 3.98Å; K193-W242 HydrophobicContact CB-CZ2 4.24Å; K193-W242 HydrophobicContact CD-CH2 4.13Å; K193-W242 HydrophobicContact CD-CZ3 4.31Å; K193-G246 PolarHBondContact NZ-O 3.13Å
194	L	82.3	Confident	82.8	Confident	40 Å²	40	40.1 Å²	40.1	21%	0.209	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.1	172	175.7	70.6	0	0	0	108.7	M139 L162 P185 F187 Y196	M139-L194 HydrophobicContact CE-CD1 4.47Å; M139-L194 HydrophobicContact CE-CD2 3.42Å; M139-L194 VanDerWaalsContact CE-CD2 3.42Å; M139-L194 HydrophobicContact SD-CD2 4.25Å; L162-L194 HydrophobicContact CD2-CD2 3.97Å; P185-L194 HydrophobicContact CB-CD1 4.07Å; F187-L194 HydrophobicContact CD1-CB 4.14Å; F187-L194 HydrophobicContact CD1-CD1 4.14Å; F187-L194 HydrophobicContact CD2-CD1 4.25Å; F187-L194 HydrophobicContact CE1-CB 4.06Å; F187-L194 HydrophobicContact CE1-CD1 4.11Å; F187-L194 HydrophobicContact CE2-CD1 4.22Å; F187-L194 HydrophobicContact CG-CD1 4.21Å; F187-L194 HydrophobicContact CZ-CD1 4.16Å; L194-Y196 HydrophobicContact CD2-CD1 4.31Å; L194-Y196 HydrophobicContact CG-CD1 4.4Å
195	V	79.5	Confident	81.9	Confident	24 Å²	24	40.8 Å²	40.8	15%	0.145	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	145.7	168.6	65.3	0	0	0	0	109.4	P185 R186 L237 W242 V249	P185-V195 CarbonylContact C-O 3.57Å; P185-V195 WeakPolarHBondContact CA-O 3.31Å; R186-V195 HydrophobicContact CB-CG1 3.87Å; R186-V195 PolarHBondContact N-O 3.4Å; R186-V195 PolarHBondContact O-N 3.19Å; V195-L237 HydrophobicContact CG1-CD1 3.68Å; V195-L237 HydrophobicContact CG2-CD1 4.27Å; V195-W242 HydrophobicContact CB-CZ2 3.81Å; V195-W242 HydrophobicContact CG1-CZ2 3.6Å; V195-V249 HydrophobicContact CG1-CG1 4.48Å; V195-V249 HydrophobicContact CG1-CG2 4.21Å
196	Y	82.4	Confident	80.6	Confident	59 Å²	59	41.1 Å²	41.1	23%	0.231	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	163.9	170.2	55.8	-95.8	0	0	0	109.1	L162 I182 S183 L194 A198	L162-Y196 HydrophobicContact CD2-CD1 3.79Å; L162-Y196 HydrophobicContact CD2-CE1 3.99Å; L162-Y196 HydrophobicContact CD2-CG 4.39Å; I182-Y196 HydrophobicContact CD1-CE2 4.48Å; I182-Y196 HydrophobicContact CG2-CD2 3.87Å; I182-Y196 HydrophobicContact CG2-CE2 4.5Å; I182-Y196 HydrophobicContact CG2-CG 4.33Å; S183-Y196 WeakPolarHBondContact O-CB 3.33Å; L194-Y196 HydrophobicContact CD2-CD1 4.31Å; L194-Y196 HydrophobicContact CG-CD1 4.4Å; Y196-A198 HydrophobicContact CD2-CB 4.17Å; Y196-A198 HydrophobicContact CE2-CB 3.96Å
197	L	81.3	Confident	79.3	Confident	10 Å²	10	39.9 Å²	39.9	5%	0.052	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132	174.8	-55.5	-178.3	0	0	0	108.8	I182 S183 I209 L237 M251	I182-L197 CarbonylContact C-O 3.59Å; I182-L197 VanDerWaalsContact CA-O 3.26Å; I182-L197 WeakPolarHBondContact CA-O 3.38Å; S183-L197 PolarHBondContact N-O 3.11Å; S183-L197 PolarHBondContact O-N 3.35Å; L197-I209 HydrophobicContact CB-CD1 4.23Å; L197-I209 HydrophobicContact CB-CG1 4.06Å; L197-I209 HydrophobicContact CD1-CD1 4.1Å; L197-I209 HydrophobicContact CD2-CD1 3.59Å; L197-I209 HydrophobicContact CD2-CG1 4.25Å; L197-I209 HydrophobicContact CG-CD1 4.16Å; L197-L237 HydrophobicContact CD1-CG 4.28Å; L197-L237 HydrophobicContact CD2-CD1 4.36Å; L197-L237 HydrophobicContact CD2-CD2 3.87Å; L197-L237 HydrophobicContact CD2-CG 4Å; L197-L237 HydrophobicContact CG-CD2 4.38Å; L197-L237 HydrophobicContact CG-CG 4.03Å; L197-M251 HydrophobicContact CD2-CE 4.38Å
198	A	80.1	Confident	77.8	Confident	12 Å²	12	39.4 Å²	39.4	10%	0.099	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	141.1	176.8	0	0	0	0	0	111.1	A181 I182 Y196 I209 S210 D211	A181-A198 CarbonylContact O-C 3.59Å; A181-A198 WeakPolarHBondContact O-CA 3.49Å; I182-A198 HydrophobicContact CG1-CB 4.28Å; Y196-A198 HydrophobicContact CD2-CB 4.17Å; Y196-A198 HydrophobicContact CE2-CB 3.96Å; A198-I209 VanDerWaalsContact O-CA 3.31Å; A198-I209 WeakPolarHBondContact O-CA 3.3Å; A198-S210 PolarHBondContact O-N 3.43Å; A198-S210 VanDerWaalsContact O-N 3.14Å; A198-D211 HydrophobicContact CB-CB 3.93Å
199	T	78.1	Confident	76.1	Confident	5 Å²	5	40.1 Å²	40.1	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	154.9	175	-166.9	0	0	0	0	110.6	N180 A181 I209	N180-T199 CarbonylContact C-O 3.55Å; N180-T199 VanDerWaalsContact CA-O 3.24Å; N180-T199 WeakPolarHBondContact CA-O 3.48Å; A181-T199 HydrophobicContact CB-CG2 3.8Å; A181-T199 PolarHBondContact N-O 2.8Å; A181-T199 PolarHBondContact O-N 2.86Å; T199-I209 PolarHBondContact OG1-N 2.89Å
200	E	80.7	Confident	73.9	Confident	101 Å²	101	36.3 Å²	36.3	47%	0.472	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	138.7	170.2	-168.1	-174.1	-164	0	0	110.7	K207 R398	E200-K207 IonicContact OE2-NZ 3.41Å; E200-R398 IonicContact OE2-NH2 2.69Å; E200-R398 PolarHBondContact OE2-NH2 3.44Å
201	I	87.3	Confident	71.7	Confident	65 Å²	65	33.8 Å²	33.8	33%	0.333	18%	0.184	S	C	.	.	S	Bend	trans	-66.8	153.5	173.8	59.5	174.5	0	0	0	112	E159 G179	E159-I201 HydrophobicContact CB-CG2 3.91Å; E159-I201 HydrophobicContact CG-CG2 4.28Å; G179-I201 WeakPolarHBondContact O-CG1 3.35Å; G179-I201 WeakPolarHBondContact O-CG2 3.4Å; G179-I201 PolarHBondContact O-N 2.86Å
202	G	85.8	Confident	69.1	Low	16 Å²	16	38.9 Å²	38.9	17%	0.165	21%	0.207	C	C	.	.	S	Bend	trans	76.8	-155.2	177.4	0	0	0	0	0	113.4	N157 D487	N157-G202 WeakPolarHBondContact CB-O 3.36Å; N157-G202 PolarHBondContact ND2-O 2.91Å; N157-G202 PolarHBondContact O-N 2.87Å; G202-D487 WeakPolarHBondContact CA-OD1 3.41Å
203	G	85.8	Confident	66.6	Low	7 Å²	7	40.8 Å²	40.8	7%	0.072	21%	0.213	C	C	.	.	S	Bend	trans	62.9	-157.6	-174.1	0	0	0	0	0	113.3	N157 H205 V481 D487	N157-G203 PolarHBondContact ND2-O 3.02Å; G203-H205 PolarHBondContact O-N 2.86Å; G203-V481 WeakPolarHBondContact O-CG1 3.5Å; G203-D487 PolarHBondContact N-OD1 3.01Å
204	P	79.6	Confident	64.2	Low	1 Å²	1	40.7 Å²	40.7	1%	0.006	22%	0.22	C	C	.	.	S	Bend	trans	-39.3	123.2	178	-32.3	35.1	0	0	0	112.4	A206 K207 H360 L397 R398 P401	P204-A206 PolarHBondContact O-N 3.42Å; P204-K207 HydrophobicContact CB-CB 4.09Å; P204-K207 WeakPolarHBondContact O-CB 3.43Å; P204-K207 PolarHBondContact O-N 2.96Å; P204-H360 VanDerWaalsContact C-CD2 3.46Å; P204-H360 WeakPolarHBondContact CA-NE2 3.42Å; P204-H360 WeakPolarHBondContact CB-NE2 3.36Å; P204-L397 HydrophobicContact CB-CD1 4.15Å; P204-L397 HydrophobicContact CB-CD2 4.18Å; P204-L397 HydrophobicContact CB-CG 3.93Å; P204-L397 HydrophobicContact CG-CD2 4.22Å; P204-L397 HydrophobicContact CG-CG 3.91Å; P204-R398 HydrophobicContact CG-CG 4.03Å; P204-P401 HydrophobicContact CG-CG 4.07Å
205	H	66	Low	61.9	Low	13 Å²	13	46 Å²	46	6%	0.06	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	121.1	-179.8	-170.9	-80.9	0	0	0	111.1	C155 G203 H360 I475 W478	C155-H205 PolarHBondContact SG-CE1 3.38Å; C155-H205 PolarHBondContact SG-NE2 2.83Å; G203-H205 PolarHBondContact O-N 2.86Å; H205-H360 PolarHBondContact N-CD2 2.89Å; H205-H360 VanDerWaalsContact O-CB 3.26Å; H205-H360 WeakPolarHBondContact O-CB 3.43Å; H205-H360 PolarHBondContact O-CD2 2.78Å; H205-I475 VanDerWaalsContact NE2-CG2 3.34Å; H205-I475 WeakPolarHBondContact NE2-CG2 3.27Å; H205-W478 AromaticContact CG-CD1 3.86Å
206	A	60.6	Low	59.7	Low	8 Å²	8	48.5 Å²	48.5	7%	0.066	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	13.1	-167.9	0	0	0	0	0	116.6	F156 P204 F390	F156-A206 HydrophobicContact CD2-CB 3.82Å; F156-A206 HydrophobicContact CE2-CB 4.17Å; P204-A206 PolarHBondContact O-N 3.42Å; A206-F390 HydrophobicContact CB-CZ 4Å; A206-F390 WeakPolarHBondContact O-CZ 3.16Å
207	K	57	Low	57.6	Low	4 Å²	4	49.1 Å²	49.1	2%	0.017	27%	0.269	C	S	.	.			trans	-47.2	140.7	168.9	-175.9	175.2	167.6	178.3	0	111.6	E200 P204 E394 L397	E200-K207 IonicContact OE2-NZ 3.41Å; P204-K207 HydrophobicContact CB-CB 4.09Å; P204-K207 WeakPolarHBondContact O-CB 3.43Å; P204-K207 PolarHBondContact O-N 2.96Å; K207-E394 WeakPolarHBondContact CE-OE1 3.43Å; K207-E394 IonicContact NZ-OE1 2.96Å; K207-E394 PolarHBondContact NZ-OE1 2.94Å; K207-L397 HydrophobicContact CG-CD2 4.08Å
208	R	52.9	Low	55.3	Low	38 Å²	38	53.7 Å²	53.7	14%	0.143	29%	0.294	C	S	.	.			trans	-130.9	138.8	-177.9	-74.9	161.4	176.1	-171.4	6.7	111.6	F156 A234 A235	F156-R208 VanDerWaalsContact CZ-NH2 3.32Å; R208-A234 WeakPolarHBondContact CD-O 3.28Å; R208-A234 PolarHBondContact NE-O 3.33Å; R208-A234 VanDerWaalsContact NH1-C 3.31Å; R208-A235 VanDerWaalsContact CZ-CB 3.43Å; R208-A235 VanDerWaalsContact CZ-N 3.29Å; R208-A235 VanDerWaalsContact NH2-CA 3.27Å
209	I	46.6	Very low	53.4	Low	20 Å²	20	54.7 Å²	54.7	10%	0.103	30%	0.299	C	S	.	.			trans	42	115.1	170.5	-51.7	154.3	0	0	0	118.8	L197 A198 T199 T219 L232	L197-I209 HydrophobicContact CB-CD1 4.23Å; L197-I209 HydrophobicContact CB-CG1 4.06Å; L197-I209 HydrophobicContact CD1-CD1 4.1Å; L197-I209 HydrophobicContact CD2-CD1 3.59Å; L197-I209 HydrophobicContact CD2-CG1 4.25Å; L197-I209 HydrophobicContact CG-CD1 4.16Å; A198-I209 VanDerWaalsContact O-CA 3.31Å; A198-I209 WeakPolarHBondContact O-CA 3.3Å; T199-I209 PolarHBondContact OG1-N 2.89Å; I209-T219 WeakPolarHBondContact O-CG2 3.26Å; I209-L232 HydrophobicContact CB-CB 4.04Å; I209-L232 HydrophobicContact CD1-CB 3.54Å; I209-L232 HydrophobicContact CD1-CD1 4Å; I209-L232 HydrophobicContact CD1-CG 4.42Å; I209-L232 HydrophobicContact CG1-CB 4.42Å; I209-L232 HydrophobicContact CG2-CB 4.34Å; I209-L232 HydrophobicContact CG2-CD1 3.96Å
210	S	37.9	Very low	52	Low	27 Å²	27	56 Å²	56	19%	0.189	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-165.6	108.8	156	62.1	0	0	0	0	106.5	A198	A198-S210 PolarHBondContact O-N 3.43Å; A198-S210 VanDerWaalsContact O-N 3.14Å
211	D	36	Very low	50.3	Low	50 Å²	50	53.9 Å²	53.9	27%	0.267	31%	0.306	S	S	.	.			trans	-162.6	157.7	165.6	-153.3	15.2	0	0	0	114.6	N180 A198 L216	N180-D211 PolarHBondContact ND2-OD2 2.81Å; N180-D211 PolarHBondContact OD1-OD2 3.19Å; A198-D211 HydrophobicContact CB-CB 3.93Å; D211-L216 VanDerWaalsContact O-CD2 3.29Å; D211-L216 WeakPolarHBondContact O-CD2 3.31Å; D211-L216 VanDerWaalsContact O-CG 3.28Å; D211-L216 WeakPolarHBondContact O-CG 3.42Å
212	D	29.7	Very low	48.5	Very low	124 Å²	124	57.1 Å²	57.1	66%	0.663	32%	0.318	S	S	*	.	S	Bend	trans	-69.4	147.4	-179.5	-72.9	-40.5	0	0	0	113.7
213	D	29.3	Very low	47	Very low	141 Å²	141	58 Å²	58	75%	0.754	32%	0.32	S	S	*	.	S	Bend	trans	60.9	69	170.2	-64.9	-25.2	0	0	0	118.1
214	V	29.8	Very low	45.9	Very low	89 Å²	89	63.7 Å²	63.7	54%	0.539	35%	0.349	S	S	.	.	S	Bend	trans	-179.7	113	131.5	166.2	0	0	0	0	106.8	L216	V214-L216 PolarHBondContact O-N 2.91Å
215	I	33.9	Very low	45	Very low	151 Å²	151	66.3 Å²	66.3	77%	0.774	37%	0.368	S	S	*	.	S	Bend	trans	31.2	73.5	179	-49	-179.8	0	0	0	113.1	V217	I215-V217 PolarHBondContact O-N 2.67Å
216	L	32.3	Very low	44.9	Very low	78 Å²	78	70.8 Å²	70.8	41%	0.408	39%	0.392	S	S	.	.			trans	-63.8	124.8	177.5	-101.6	149.9	0	0	0	111.8	D211 V214 N218	D211-L216 VanDerWaalsContact O-CD2 3.29Å; D211-L216 WeakPolarHBondContact O-CD2 3.31Å; D211-L216 VanDerWaalsContact O-CG 3.28Å; D211-L216 WeakPolarHBondContact O-CG 3.42Å; V214-L216 PolarHBondContact O-N 2.91Å; L216-N218 HydrophobicContact CD2-CB 4.25Å
217	V	38.8	Very low	45.2	Very low	72 Å²	72	78.8 Å²	78.8	44%	0.436	43%	0.428	S	S	.	.			trans	-96.9	98.3	145.1	-164.3	0	0	0	0	105.4	I215 F229 L232	I215-V217 PolarHBondContact O-N 2.67Å; V217-F229 HydrophobicContact CB-CE1 4.34Å; V217-F229 HydrophobicContact CB-CZ 4.28Å; V217-F229 HydrophobicContact CG1-CD1 3.94Å; V217-F229 HydrophobicContact CG1-CE1 3.22Å; V217-F229 HydrophobicContact CG1-CE2 4.09Å; V217-F229 HydrophobicContact CG1-CZ 3.3Å; V217-L232 HydrophobicContact CB-CD1 3.9Å; V217-L232 HydrophobicContact CB-CD2 4.32Å; V217-L232 HydrophobicContact CB-CG 4.13Å; V217-L232 HydrophobicContact CG1-CD2 4.49Å; V217-L232 HydrophobicContact CG2-CD1 4.32Å
218	N	33.7	Very low	45.9	Very low	106 Å²	106	81.5 Å²	81.5	57%	0.567	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-66.1	147.1	-174.7	-156.2	-3.7	0	0	0	110.8	L216 F229	L216-N218 HydrophobicContact CD2-CB 4.25Å; N218-F229 WeakPolarHBondContact O-CE1 3.21Å
219	T	39.1	Very low	46.8	Very low	33 Å²	33	81.7 Å²	81.7	20%	0.202	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-63.5	134.8	170.1	30	0	0	0	0	110.5	I209	I209-T219 WeakPolarHBondContact O-CG2 3.26Å
220	V	48.3	Very low	48.2	Very low	31 Å²	31	80.9 Å²	80.9	19%	0.188	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-85.7	121.2	168.3	177	0	0	0	0	107.8	K222 T223 E228 F229 E394	V220-K222 VanDerWaalsContact C-N 3.27Å; V220-K222 WeakPolarHBondContact CG1-O 3.13Å; V220-K222 PolarHBondContact O-N 2.97Å; V220-T223 HydrophobicContact CG1-CG2 4.45Å; V220-E228 HydrophobicContact CG1-CG 4.29Å; V220-E228 WeakPolarHBondContact CG1-OE1 3.45Å; V220-F229 WeakPolarHBondContact CB-O 3.49Å; V220-F229 HydrophobicContact CG2-CD1 4.19Å; V220-F229 WeakPolarHBondContact CG2-O 3.12Å; V220-E394 PolarHBondContact O-N 2.96Å
221	A	46.3	Very low	49.9	Very low	58 Å²	58	79.6 Å²	79.6	48%	0.479	43%	0.429	S	S	.	.	S	Bend	trans	-57.8	-42.9	-178	0	0	0	0	0	111.5	D395	A221-D395 VanDerWaalsContact O-CB 3.24Å; A221-D395 WeakPolarHBondContact O-CB 3.3Å; A221-D395 PolarHBondContact O-N 2.88Å
222	K	49.9	Very low	51.8	Low	132 Å²	132	77.8 Å²	77.8	57%	0.574	42%	0.42	S	S	*	.	S	Bend	trans	-145.4	125.8	178.8	-179.7	-177	178	-170.7	0	109.4	V220	V220-K222 VanDerWaalsContact C-N 3.27Å; V220-K222 WeakPolarHBondContact CG1-O 3.13Å; V220-K222 PolarHBondContact O-N 2.97Å
223	T	54.3	Low	54.2	Low	34 Å²	34	72.1 Å²	72.1	21%	0.209	39%	0.389	C	S	.	.			trans	-76.6	130.3	167.9	54.8	0	0	0	0	109.3	V220 E228 P230	V220-T223 HydrophobicContact CG1-CG2 4.45Å; T223-E228 HydrophobicContact CG2-CB 4.18Å; T223-E228 HydrophobicContact CG2-CG 4.45Å; T223-E228 WeakPolarHBondContact CG2-O 3.48Å; T223-P230 HydrophobicContact CG2-CB 3.86Å
224	N	61.8	Low	56.5	Low	127 Å²	127	65.6 Å²	65.6	68%	0.679	36%	0.355	S	S	*	.	S	Bend	trans	-86.9	-14.5	174.8	-60	-68.8	0	0	0	112	E228	N224-E228 WeakPolarHBondContact CB-OE2 3.45Å; N224-E228 PolarHBondContact N-OE2 3.23Å; N224-E228 PolarHBondContact ND2-OE2 3.24Å
225	S	60.9	Low	58.5	Low	57 Å²	57	63 Å²	63	40%	0.399	34%	0.343	S	S	.	.	S	Bend	trans	-151.8	163.7	174.2	66	0	0	0	0	110.8	E227 E228	S225-E227 PolarHBondContact O-N 3.32Å; S225-E227 VanDerWaalsContact O-N 3.17Å; S225-E227 PolarHBondContact OG-N 3.37Å; S225-E228 PolarHBondContact O-N 3.08Å; S225-E228 VanDerWaalsContact O-N 3.11Å; S225-E228 PolarHBondContact OG-N 3.19Å
226	D	64.8	Low	60.5	Low	107 Å²	107	58.7 Å²	58.7	57%	0.572	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-13.4	174.2	-57	-19.9	0	0	0	112.6	W255	D226-W255 PolarHBondContact O-NE1 2.92Å
227	E	66.6	Low	62.8	Low	175 Å²	175	55.1 Å²	55.1	82%	0.818	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-7.6	176.6	-62.2	-178.6	177.5	0	0	113.3	S225 W255	S225-E227 PolarHBondContact O-N 3.32Å; S225-E227 VanDerWaalsContact O-N 3.17Å; S225-E227 PolarHBondContact OG-N 3.37Å; E227-W255 WeakPolarHBondContact O-CZ2 3.27Å
228	E	70.2	Confident	64.9	Low	61 Å²	61	52.6 Å²	52.6	29%	0.285	29%	0.288	S	S	.	.	S	Bend	trans	-84.4	135.4	177.5	-170.4	170.5	-175	0	0	111	V220 T223 N224 S225 P230 W255	V220-E228 HydrophobicContact CG1-CG 4.29Å; V220-E228 WeakPolarHBondContact CG1-OE1 3.45Å; T223-E228 HydrophobicContact CG2-CB 4.18Å; T223-E228 HydrophobicContact CG2-CG 4.45Å; T223-E228 WeakPolarHBondContact CG2-O 3.48Å; N224-E228 WeakPolarHBondContact CB-OE2 3.45Å; N224-E228 PolarHBondContact N-OE2 3.23Å; N224-E228 PolarHBondContact ND2-OE2 3.24Å; S225-E228 PolarHBondContact O-N 3.08Å; S225-E228 VanDerWaalsContact O-N 3.11Å; S225-E228 PolarHBondContact OG-N 3.19Å; E228-P230 VanDerWaalsContact O-CD 3.3Å; E228-P230 WeakPolarHBondContact O-CD 3.24Å; E228-P230 VanDerWaalsContact O-N 3.15Å; E228-W255 VanDerWaalsContact O-CZ2 3.24Å; E228-W255 WeakPolarHBondContact O-CZ2 3.45Å
229	F	73.3	Confident	67.2	Low	43 Å²	43	51.7 Å²	51.7	19%	0.189	28%	0.28	C	S	.	.			trans	-56.3	116.7	-179.9	174.4	-105.8	0	0	0	111.3	V217 N218 V220 G231 L232 W255 L262	V217-F229 HydrophobicContact CB-CE1 4.34Å; V217-F229 HydrophobicContact CB-CZ 4.28Å; V217-F229 HydrophobicContact CG1-CD1 3.94Å; V217-F229 HydrophobicContact CG1-CE1 3.22Å; V217-F229 HydrophobicContact CG1-CE2 4.09Å; V217-F229 HydrophobicContact CG1-CZ 3.3Å; N218-F229 WeakPolarHBondContact O-CE1 3.21Å; V220-F229 WeakPolarHBondContact CB-O 3.49Å; V220-F229 HydrophobicContact CG2-CD1 4.19Å; V220-F229 WeakPolarHBondContact CG2-O 3.12Å; F229-G231 VanDerWaalsContact C-N 3.31Å; F229-G231 WeakPolarHBondContact CZ-O 3.42Å; F229-G231 PolarHBondContact O-N 2.9Å; F229-L232 HydrophobicContact CE2-CD2 4.03Å; F229-L232 HydrophobicContact CZ-CD2 3.6Å; F229-L232 HydrophobicContact CZ-CG 3.85Å; F229-W255 VanDerWaalsContact CA-CH2 3.47Å; F229-W255 HydrophobicContact CB-CH2 4.03Å; F229-W255 HydrophobicContact CB-CZ3 4.33Å; F229-W255 HydrophobicContact CD2-CE3 4.31Å; F229-W255 HydrophobicContact CD2-CH2 4.37Å; F229-W255 AromaticContact CD2-CZ3 3.81Å; F229-W255 HydrophobicContact CD2-CZ3 3.81Å; F229-L262 HydrophobicContact CE2-CD1 4.02Å; F229-L262 HydrophobicContact CE2-CD2 4.35Å
230	P	74.9	Confident	69.5	Low	2 Å²	2	55.5 Å²	55.5	1%	0.013	29%	0.291	C	S	.	.			trans	-85.5	-0.1	-169.5	32.3	-35.7	0	0	0	114.3	T223 E228 Y233 W255 G391 G393	T223-P230 HydrophobicContact CG2-CB 3.86Å; E228-P230 VanDerWaalsContact O-CD 3.3Å; E228-P230 WeakPolarHBondContact O-CD 3.24Å; E228-P230 VanDerWaalsContact O-N 3.15Å; P230-Y233 HydrophobicContact CB-CE2 4.08Å; P230-Y233 HydrophobicContact CG-CE2 4.3Å; P230-Y233 VanDerWaalsContact O-CE2 3.23Å; P230-Y233 WeakPolarHBondContact O-CE2 3.48Å; P230-Y233 PolarHBondContact O-OH 3.28Å; P230-Y233 VanDerWaalsContact O-OH 3.06Å; P230-W255 VanDerWaalsContact CD-CE2 3.49Å; P230-W255 HydrophobicContact CG-CB 4.16Å; P230-W255 HydrophobicContact CG-CD2 3.91Å; P230-W255 HydrophobicContact CG-CE3 4.46Å; P230-W255 HydrophobicContact CG-CG 3.75Å; P230-G391 WeakPolarHBondContact CB-O 3.39Å; P230-G391 WeakPolarHBondContact CG-O 3.49Å; P230-G393 WeakPolarHBondContact O-CA 3.4Å
231	G	73.3	Confident	71.2	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.282	C	S	.	.			trans	106.1	172.6	-167	0	0	0	0	0	113	F229 Y233	F229-G231 VanDerWaalsContact C-N 3.31Å; F229-G231 WeakPolarHBondContact CZ-O 3.42Å; F229-G231 PolarHBondContact O-N 2.9Å; G231-Y233 WeakPolarHBondContact O-CD2 3.24Å
232	L	76.7	Confident	73	Confident	13 Å²	13	52.2 Å²	52.2	7%	0.068	26%	0.262	C	S	.	.			trans	-93.8	108.9	-179.5	-63.9	178.8	0	0	0	111.3	I209 V217 F229 M251 L262	I209-L232 HydrophobicContact CB-CB 4.04Å; I209-L232 HydrophobicContact CD1-CB 3.54Å; I209-L232 HydrophobicContact CD1-CD1 4Å; I209-L232 HydrophobicContact CD1-CG 4.42Å; I209-L232 HydrophobicContact CG1-CB 4.42Å; I209-L232 HydrophobicContact CG2-CB 4.34Å; I209-L232 HydrophobicContact CG2-CD1 3.96Å; V217-L232 HydrophobicContact CB-CD1 3.9Å; V217-L232 HydrophobicContact CB-CD2 4.32Å; V217-L232 HydrophobicContact CB-CG 4.13Å; V217-L232 HydrophobicContact CG1-CD2 4.49Å; V217-L232 HydrophobicContact CG2-CD1 4.32Å; F229-L232 HydrophobicContact CE2-CD2 4.03Å; F229-L232 HydrophobicContact CZ-CD2 3.6Å; F229-L232 HydrophobicContact CZ-CG 3.85Å; L232-M251 HydrophobicContact CD2-SD 4.12Å; L232-L262 HydrophobicContact CD2-CD1 3.21Å
233	Y	80.3	Confident	74.4	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.016	24%	0.235	C	C	.	.			trans	-109.1	62	177.2	-59.6	-85.9	0	0	0	111.2	P230 G231 S253 V254 F390 G393 L397	P230-Y233 HydrophobicContact CB-CE2 4.08Å; P230-Y233 HydrophobicContact CG-CE2 4.3Å; P230-Y233 VanDerWaalsContact O-CE2 3.23Å; P230-Y233 WeakPolarHBondContact O-CE2 3.48Å; P230-Y233 PolarHBondContact O-OH 3.28Å; P230-Y233 VanDerWaalsContact O-OH 3.06Å; G231-Y233 WeakPolarHBondContact O-CD2 3.24Å; Y233-S253 PolarHBondContact N-OG 2.82Å; Y233-V254 WeakPolarHBondContact CD2-O 3.09Å; Y233-V254 HydrophobicContact CG-CB 4.41Å; Y233-V254 PolarHBondContact O-N 3.46Å; Y233-F390 HydrophobicContact CD1-CB 3.63Å; Y233-F390 AromaticContact CD1-CD1 3.55Å; Y233-F390 HydrophobicContact CD1-CD1 3.55Å; Y233-F390 HydrophobicContact CD1-CE1 4.38Å; Y233-F390 AromaticContact CD1-CG 3.73Å; Y233-F390 HydrophobicContact CD1-CG 3.73Å; Y233-F390 HydrophobicContact CE1-CB 4.23Å; Y233-F390 AromaticContact CE1-CD1 3.98Å; Y233-F390 HydrophobicContact CE1-CD1 3.98Å; Y233-F390 HydrophobicContact CE1-CG 4.45Å; Y233-F390 HydrophobicContact CG-CB 4.02Å; Y233-F390 HydrophobicContact CG-CG 4.41Å; Y233-G393 VanDerWaalsContact OH-CA 3.28Å; Y233-G393 WeakPolarHBondContact OH-CA 3.48Å; Y233-G393 PolarHBondContact OH-N 2.61Å; Y233-G393 VanDerWaalsContact OH-N 3.16Å; Y233-G393 PolarHBondContact OH-O 3.15Å; Y233-L397 HydrophobicContact CE1-CD2 4.44Å
234	A	78.1	Confident	75.8	Confident	5 Å²	5	48.5 Å²	48.5	4%	0.041	25%	0.247	C	C	.	.			trans	-113	138.1	-178.2	0	0	0	0	0	112.6	R208 M251 S252	R208-A234 WeakPolarHBondContact CD-O 3.28Å; R208-A234 PolarHBondContact NE-O 3.33Å; R208-A234 VanDerWaalsContact NH1-C 3.31Å; A234-M251 HydrophobicContact CB-SD 4.32Å; A234-S252 WeakPolarHBondContact CB-O 3.28Å
235	A	70.7	Confident	76.7	Confident	34 Å²	34	45.1 Å²	45.1	28%	0.281	23%	0.229	S	C	.	.	S	Bend	trans	-74.9	-46	179.5	0	0	0	0	0	111.5	R208	R208-A235 VanDerWaalsContact CZ-CB 3.43Å; R208-A235 VanDerWaalsContact CZ-N 3.29Å; R208-A235 VanDerWaalsContact NH2-CA 3.27Å
236	D	77.2	Confident	77.4	Confident	60 Å²	60	42.6 Å²	42.6	32%	0.321	21%	0.212	S	C	.	.			trans	-150.9	158	-172.7	-77.3	-57.7	0	0	0	108.6	S184	S184-D236 VanDerWaalsContact OG-CA 3.3Å; S184-D236 WeakPolarHBondContact OG-CA 3.49Å; S184-D236 VanDerWaalsContact OG-CB 3.31Å; S184-D236 WeakPolarHBondContact OG-CB 3.33Å; S184-D236 PolarHBondContact OG-OD1 2.96Å
237	L	80.3	Confident	77.7	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.021	21%	0.214	C	C	.	.			trans	-79.5	141.8	161.5	-63	178.1	0	0	0	108.9	S184 R186 V195 L197 C241 V249 M251	S184-L237 PolarHBondContact OG-N 3.32Å; R186-L237 HydrophobicContact CB-CD1 4.35Å; R186-L237 HydrophobicContact CG-CB 3.87Å; R186-L237 HydrophobicContact CG-CD1 3.81Å; R186-L237 HydrophobicContact CG-CG 4.49Å; R186-L237 PolarHBondContact NE-O 2.81Å; R186-L237 PolarHBondContact NH2-O 3.2Å; V195-L237 HydrophobicContact CG1-CD1 3.68Å; V195-L237 HydrophobicContact CG2-CD1 4.27Å; L197-L237 HydrophobicContact CD1-CG 4.28Å; L197-L237 HydrophobicContact CD2-CD1 4.36Å; L197-L237 HydrophobicContact CD2-CD2 3.87Å; L197-L237 HydrophobicContact CD2-CG 4Å; L197-L237 HydrophobicContact CG-CD2 4.38Å; L197-L237 HydrophobicContact CG-CG 4.03Å; L237-C241 HydrophobicContact CB-CB 4.5Å; L237-V249 HydrophobicContact CD2-CG1 4.33Å; L237-M251 HydrophobicContact CD2-CB 3.95Å; L237-M251 HydrophobicContact CD2-CE 3.34Å; L237-M251 HydrophobicContact CD2-SD 4.14Å
238	P	81.9	Confident	78.2	Confident	19 Å²	19	39 Å²	39	12%	0.123	19%	0.187	C	C	.	.			trans	-48.8	149.8	163.3	-24.7	33.4	0	0	0	110.9	R186 R240 C241 L274	R186-P238 WeakPolarHBondContact CD-O 3.3Å; R186-P238 PolarHBondContact NE-O 2.88Å; P238-R240 WeakPolarHBondContact CB-O 3.47Å; P238-R240 PolarHBondContact O-N 3.35Å; P238-C241 HydrophobicContact CB-CB 4.35Å; P238-C241 HydrophobicContact CG-CB 4.49Å; P238-L274 HydrophobicContact CG-CD2 3.89Å; P238-L274 HydrophobicContact CG-CG 4.22Å
239	H	82.8	Confident	78.5	Confident	87 Å²	87	37.8 Å²	37.8	40%	0.403	18%	0.184	S	C	.	.	S	Bend	trans	-57.9	-40.2	178.9	-177.4	-79.5	0	0	0	111.5	R186	R186-H239 WeakPolarHBondContact CD-O 3.43Å
240	R	87.3	Confident	79	Confident	112 Å²	112	35.7 Å²	35.7	42%	0.423	18%	0.175	S	C	.	.	S	Bend	trans	-111.1	115.4	165	-67.3	-174	-70.4	-105.1	6.7	108.8	P238 D276 V277	P238-R240 WeakPolarHBondContact CB-O 3.47Å; P238-R240 PolarHBondContact O-N 3.35Å; R240-D276 IonicContact CZ-OD1 2.73Å; R240-D276 IonicContact CZ-OD2 3.34Å; R240-D276 IonicContact NE-OD1 3.97Å; R240-D276 PolarHBondContact NE-OD1 3.35Å; R240-D276 IonicContact NE-OD2 2.67Å; R240-D276 IonicContact NH2-OD1 3.33Å; R240-D276 PolarHBondContact NH2-OD1 3.1Å; R240-D276 VanDerWaalsContact NH2-OD1 3.15Å; R240-D276 IonicContact NH2-OD2 2.86Å; R240-D276 PolarHBondContact NH2-OD2 3.34Å; R240-V277 HydrophobicContact CB-CB 4.49Å; R240-V277 WeakPolarHBondContact CB-O 3.19Å; R240-V277 WeakPolarHBondContact CD-O 3.45Å; R240-V277 PolarHBondContact NE-O 3.35Å; R240-V277 WeakPolarHBondContact O-CB 3.5Å; R240-V277 WeakPolarHBondContact O-CG2 3.36Å; R240-V277 PolarHBondContact O-N 3.04Å
241	C	84.6	Confident	79.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.			trans	-127.9	-5.8	-176.9	60.8	0	0	0	0	112.9	L237 P238 V249 F250	L237-C241 HydrophobicContact CB-CB 4.5Å; P238-C241 HydrophobicContact CB-CB 4.35Å; P238-C241 HydrophobicContact CG-CB 4.49Å; C241-V249 HydrophobicContact CB-CG1 4.11Å; C241-V249 CarbonylContact O-C 3.57Å; C241-V249 VanDerWaalsContact O-CA 3.3Å; C241-V249 WeakPolarHBondContact O-CA 3.43Å; C241-F250 WeakPolarHBondContact CB-O 3.48Å; C241-F250 PolarHBondContact O-N 2.86Å
242	W	82.6	Confident	80	Confident	20 Å²	20	37.4 Å²	37.4	8%	0.076	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-90	144.1	-176.5	-72.1	94.5	0	0	0	111.9	R186 F187 L189 K193 V195 G246 R248 V249 V277	R186-W242 PolarHBondContact O-NE1 2.86Å; F187-W242 VanDerWaalsContact C-NE1 3.34Å; F187-W242 PolarHBondContact O-NE1 3.27Å; L189-W242 HydrophobicContact CD1-CB 3.78Å; K193-W242 HydrophobicContact CB-CH2 3.98Å; K193-W242 HydrophobicContact CB-CZ2 4.24Å; K193-W242 HydrophobicContact CD-CH2 4.13Å; K193-W242 HydrophobicContact CD-CZ3 4.31Å; V195-W242 HydrophobicContact CB-CZ2 3.81Å; V195-W242 HydrophobicContact CG1-CZ2 3.6Å; W242-G246 WeakPolarHBondContact CZ3-O 3.38Å; W242-R248 WeakPolarHBondContact CA-O 3.21Å; W242-V249 HydrophobicContact CD2-CG2 3.77Å; W242-V249 HydrophobicContact CE3-CG2 3.63Å; W242-V249 HydrophobicContact CH2-CG2 3.74Å; W242-V249 HydrophobicContact CZ2-CG2 3.88Å; W242-V249 HydrophobicContact CZ3-CG2 3.62Å; W242-V277 VanDerWaalsContact O-CG1 3.3Å; W242-V277 WeakPolarHBondContact O-CG1 2.93Å
243	S	81	Confident	80.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.182	C	C	.	.			trans	-63.4	156.8	158.8	57.3	0	0	0	0	110.9	D245 G246 K247 R248	S243-D245 WeakPolarHBondContact CB-OD1 3.44Å; S243-D245 PolarHBondContact O-N 2.66Å; S243-D245 PolarHBondContact OG-OD1 3.41Å; S243-G246 PolarHBondContact O-N 2.71Å; S243-K247 PolarHBondContact OG-N 3.48Å; S243-R248 PolarHBondContact N-O 3.48Å; S243-R248 PolarHBondContact OG-N 3.1Å; S243-R248 PolarHBondContact OG-O 3.43Å
244	N	83.1	Confident	80.6	Confident	88 Å²	88	37 Å²	37	47%	0.471	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-30	-178.2	-166.2	36.6	0	0	0	112.5	G246 D280	N244-G246 VanDerWaalsContact C-N 3.3Å; N244-G246 PolarHBondContact O-N 2.91Å; N244-D280 VanDerWaalsContact CB-CG 3.47Å; N244-D280 WeakPolarHBondContact CB-OD1 3.3Å; N244-D280 VanDerWaalsContact CB-OD2 3.29Å; N244-D280 WeakPolarHBondContact CB-OD2 3.25Å; N244-D280 PolarHBondContact N-OD1 3.16Å
245	D	79.9	Confident	80.9	Confident	56 Å²	56	40.1 Å²	40.1	30%	0.299	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	1.9	176.3	75.7	-15	0	0	0	114.7	S243 K247 K303	S243-D245 WeakPolarHBondContact CB-OD1 3.44Å; S243-D245 PolarHBondContact O-N 2.66Å; S243-D245 PolarHBondContact OG-OD1 3.41Å; D245-K247 HydrophobicContact CB-CG 4.46Å; D245-K247 PolarHBondContact O-N 2.76Å; D245-K247 WeakPolarHBondContact OD1-CB 3.32Å; D245-K247 PolarHBondContact OD1-N 3.16Å; D245-K247 VanDerWaalsContact OD1-N 3.17Å; D245-K247 WeakPolarHBondContact OD2-CD 3.38Å; D245-K247 WeakPolarHBondContact OD2-CG 3.48Å; D245-K303 WeakPolarHBondContact OD2-CE 3.29Å; D245-K303 IonicContact OD2-NZ 3.23Å; D245-K303 PolarHBondContact OD2-NZ 2.93Å
246	G	75	Confident	81.5	Confident	4 Å²	4	38.8 Å²	38.8	4%	0.041	18%	0.183	C	C	.	.	S	Bend	trans	64.3	22.6	178.3	0	0	0	0	0	114.4	K193 W242 S243 N244	K193-G246 PolarHBondContact NZ-O 3.13Å; W242-G246 WeakPolarHBondContact CZ3-O 3.38Å; S243-G246 PolarHBondContact O-N 2.71Å; N244-G246 VanDerWaalsContact C-N 3.3Å; N244-G246 PolarHBondContact O-N 2.91Å
247	K	72.4	Confident	82	Confident	140 Å²	140	36 Å²	36	61%	0.609	17%	0.168	S	C	*	.			trans	-104.4	-25.1	-178.5	-62.4	-166.5	-177.5	-164.2	0	114.7	S243 D245	S243-K247 PolarHBondContact OG-N 3.48Å; D245-K247 HydrophobicContact CB-CG 4.46Å; D245-K247 PolarHBondContact O-N 2.76Å; D245-K247 WeakPolarHBondContact OD1-CB 3.32Å; D245-K247 PolarHBondContact OD1-N 3.16Å; D245-K247 VanDerWaalsContact OD1-N 3.17Å; D245-K247 WeakPolarHBondContact OD2-CD 3.38Å; D245-K247 WeakPolarHBondContact OD2-CG 3.48Å
248	R	77.4	Confident	82.2	Confident	68 Å²	68	37.2 Å²	37.2	26%	0.257	18%	0.176	S	C	.	.			trans	-119.4	144.1	-178.7	-64.7	176.1	-74.7	-169.2	-2.7	110.4	W242 S243 F250	W242-R248 WeakPolarHBondContact CA-O 3.21Å; S243-R248 PolarHBondContact N-O 3.48Å; S243-R248 PolarHBondContact OG-N 3.1Å; S243-R248 PolarHBondContact OG-O 3.43Å; R248-F250 HydrophobicContact CB-CE2 4.1Å; R248-F250 HydrophobicContact CB-CZ 3.88Å
249	V	76.2	Confident	82.3	Confident	34 Å²	34	37.4 Å²	37.4	21%	0.206	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-116.6	126.9	169.3	177.3	0	0	0	0	107.6	V195 L237 C241 W242 M251	V195-V249 HydrophobicContact CG1-CG1 4.48Å; V195-V249 HydrophobicContact CG1-CG2 4.21Å; L237-V249 HydrophobicContact CD2-CG1 4.33Å; C241-V249 HydrophobicContact CB-CG1 4.11Å; C241-V249 CarbonylContact O-C 3.57Å; C241-V249 VanDerWaalsContact O-CA 3.3Å; C241-V249 WeakPolarHBondContact O-CA 3.43Å; W242-V249 HydrophobicContact CD2-CG2 3.77Å; W242-V249 HydrophobicContact CE3-CG2 3.63Å; W242-V249 HydrophobicContact CH2-CG2 3.74Å; W242-V249 HydrophobicContact CZ2-CG2 3.88Å; W242-V249 HydrophobicContact CZ3-CG2 3.62Å; V249-M251 HydrophobicContact CG1-CE 4.15Å
250	F	83	Confident	82.3	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.165	C	C	.	.			trans	-103.5	136.6	177.9	-56.2	-79.2	0	0	0	110.1	C241 R248 V264 L274 V277 L282 L300	C241-F250 WeakPolarHBondContact CB-O 3.48Å; C241-F250 PolarHBondContact O-N 2.86Å; R248-F250 HydrophobicContact CB-CE2 4.1Å; R248-F250 HydrophobicContact CB-CZ 3.88Å; F250-V264 HydrophobicContact CD1-CG2 3.87Å; F250-V264 HydrophobicContact CE1-CG2 3.76Å; F250-L274 HydrophobicContact CB-CD2 3.36Å; F250-V277 HydrophobicContact CB-CG2 4.19Å; F250-V277 HydrophobicContact CD2-CG1 4.25Å; F250-V277 HydrophobicContact CD2-CG2 4.09Å; F250-V277 HydrophobicContact CG-CG2 4.47Å; F250-L282 HydrophobicContact CD1-CD2 4.29Å; F250-L282 HydrophobicContact CD2-CD2 3.95Å; F250-L282 HydrophobicContact CE1-CD2 4.49Å; F250-L282 HydrophobicContact CE2-CD2 4.16Å; F250-L282 HydrophobicContact CG-CD2 4.04Å; F250-L282 HydrophobicContact CZ-CD2 4.44Å; F250-L300 HydrophobicContact CE1-CD1 4.34Å; F250-L300 HydrophobicContact CE1-CD2 3.79Å; F250-L300 HydrophobicContact CE2-CD1 3.58Å; F250-L300 HydrophobicContact CE2-CD2 4.49Å; F250-L300 HydrophobicContact CZ-CD1 3.32Å; F250-L300 HydrophobicContact CZ-CD2 3.56Å; F250-L300 HydrophobicContact CZ-CG 4.06Å
251	M	83.1	Confident	81.9	Confident	19 Å²	19	29.3 Å²	29.3	9%	0.094	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	161.6	177.9	64.1	176.8	76	0	0	110.7	L197 L232 A234 L237 V249 I261 L262	L197-M251 HydrophobicContact CD2-CE 4.38Å; L232-M251 HydrophobicContact CD2-SD 4.12Å; A234-M251 HydrophobicContact CB-SD 4.32Å; L237-M251 HydrophobicContact CD2-CB 3.95Å; L237-M251 HydrophobicContact CD2-CE 3.34Å; L237-M251 HydrophobicContact CD2-SD 4.14Å; V249-M251 HydrophobicContact CG1-CE 4.15Å; M251-I261 CarbonylContact O-C 3.59Å; M251-I261 WeakPolarHBondContact O-CA 3.45Å; M251-L262 HydrophobicContact CG-CB 4.24Å; M251-L262 HydrophobicContact CG-CD1 4.38Å; M251-L262 PolarHBondContact O-N 2.87Å
252	S	85.6	Confident	81.5	Confident	18 Å²	18	30.7 Å²	30.7	13%	0.126	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	137.7	170.3	-73.1	0	0	0	0	111.4	A234 V260 M273 L274	A234-S252 WeakPolarHBondContact CB-O 3.28Å; S252-V260 CarbonylContact C-O 3.58Å; S252-V260 VanDerWaalsContact CA-O 3.22Å; S252-V260 WeakPolarHBondContact CA-O 3.36Å; S252-M273 WeakPolarHBondContact OG-CA 3.08Å; S252-L274 PolarHBondContact OG-N 3.46Å
253	S	85.1	Confident	80.6	Confident	1 Å²	1	33 Å²	33	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	150.8	176.7	-174.9	0	0	0	0	110.4	Y233 V260	Y233-S253 PolarHBondContact N-OG 2.82Å; S253-V260 PolarHBondContact N-O 3.34Å; S253-V260 WeakPolarHBondContact O-CG2 3.21Å; S253-V260 PolarHBondContact O-N 3.38Å
254	V	85.2	Confident	79.3	Confident	7 Å²	7	33.8 Å²	33.8	4%	0.042	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	134.9	167.1	-172.8	0	0	0	0	109.2	Y233 G256 M259 A362 L364 F390	Y233-V254 WeakPolarHBondContact CD2-O 3.09Å; Y233-V254 HydrophobicContact CG-CB 4.41Å; Y233-V254 PolarHBondContact O-N 3.46Å; V254-G256 WeakPolarHBondContact CG1-O 3.33Å; V254-M259 HydrophobicContact CG2-CE 4.2Å; V254-M259 HydrophobicContact CG2-SD 4.48Å; V254-A362 HydrophobicContact CG1-CB 4.06Å; V254-L364 HydrophobicContact CB-CD2 4.45Å; V254-L364 HydrophobicContact CG1-CD2 3.76Å; V254-L364 HydrophobicContact CG2-CD2 4.05Å; V254-F390 HydrophobicContact CB-CB 4.26Å; V254-F390 HydrophobicContact CG1-CB 4.23Å; V254-F390 HydrophobicContact CG2-CB 4.38Å
255	W	85	Confident	77.7	Confident	71 Å²	71	34.5 Å²	34.5	27%	0.269	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	111.6	171.5	-170	-44.5	0	0	0	108.2	D226 E227 E228 F229 P230 S257 T258 V260 L262	D226-W255 PolarHBondContact O-NE1 2.92Å; E227-W255 WeakPolarHBondContact O-CZ2 3.27Å; E228-W255 VanDerWaalsContact O-CZ2 3.24Å; E228-W255 WeakPolarHBondContact O-CZ2 3.45Å; F229-W255 VanDerWaalsContact CA-CH2 3.47Å; F229-W255 HydrophobicContact CB-CH2 4.03Å; F229-W255 HydrophobicContact CB-CZ3 4.33Å; F229-W255 HydrophobicContact CD2-CE3 4.31Å; F229-W255 HydrophobicContact CD2-CH2 4.37Å; F229-W255 AromaticContact CD2-CZ3 3.81Å; F229-W255 HydrophobicContact CD2-CZ3 3.81Å; P230-W255 VanDerWaalsContact CD-CE2 3.49Å; P230-W255 HydrophobicContact CG-CB 4.16Å; P230-W255 HydrophobicContact CG-CD2 3.91Å; P230-W255 HydrophobicContact CG-CE3 4.46Å; P230-W255 HydrophobicContact CG-CG 3.75Å; W255-S257 PolarHBondContact O-N 3.24Å; W255-T258 PolarHBondContact N-O 3.29Å; W255-T258 PolarHBondContact O-N 2.98Å; W255-V260 HydrophobicContact CB-CG1 4.15Å; W255-V260 HydrophobicContact CB-CG2 3.94Å; W255-V260 HydrophobicContact CE3-CG2 4.19Å; W255-L262 HydrophobicContact CE3-CD2 4.45Å
256	G	83.4	Confident	76.3	Confident	6 Å²	6	33.3 Å²	33.3	6%	0.062	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	-132	-165.2	0	0	0	0	0	110.9	V254 T258 G391	V254-G256 WeakPolarHBondContact CG1-O 3.33Å; G256-T258 VanDerWaalsContact C-N 3.3Å; G256-T258 PolarHBondContact O-N 3.37Å; G256-G391 PolarHBondContact N-O 3.16Å
257	S	86.3	Confident	74.8	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.007	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	16.9	173.3	-54.9	0	0	0	0	114.7	W255 E337 L364 T365 N385	W255-S257 PolarHBondContact O-N 3.24Å; S257-E337 WeakPolarHBondContact CB-OE2 3.48Å; S257-E337 PolarHBondContact N-OE2 3.09Å; S257-E337 VanDerWaalsContact OG-CB 3.3Å; S257-E337 WeakPolarHBondContact OG-CB 3.22Å; S257-E337 PolarHBondContact OG-OE2 3.42Å; S257-L364 CarbonylContact O-C 3.49Å; S257-L364 WeakPolarHBondContact O-CA 3.38Å; S257-T365 WeakPolarHBondContact O-CG2 3.31Å; S257-T365 PolarHBondContact O-N 3Å; S257-T365 PolarHBondContact O-OG1 3.35Å; S257-N385 PolarHBondContact OG-ND2 2.94Å
258	T	84.9	Confident	74	Confident	30 Å²	30	37.4 Å²	37.4	18%	0.184	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	145.8	-176.8	-61.1	0	0	0	0	111.8	W255 G256 V260 H270 T365	W255-T258 PolarHBondContact N-O 3.29Å; W255-T258 PolarHBondContact O-N 2.98Å; G256-T258 VanDerWaalsContact C-N 3.3Å; G256-T258 PolarHBondContact O-N 3.37Å; T258-V260 HydrophobicContact CG2-CG1 4.18Å; T258-H270 VanDerWaalsContact CG2-O 3.24Å; T258-H270 WeakPolarHBondContact CG2-O 3.36Å; T258-T365 PolarHBondContact OG1-OG1 2.59Å; T258-T365 VanDerWaalsContact OG1-OG1 3.1Å
259	M	85.2	Confident	73.3	Confident	23 Å²	23	41.2 Å²	41.2	11%	0.113	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.8	166.4	-171.9	75.6	64	0	0	109.2	V254 S271 W272 M273 L364	V254-M259 HydrophobicContact CG2-CE 4.2Å; V254-M259 HydrophobicContact CG2-SD 4.48Å; M259-S271 PolarHBondContact N-OG 2.9Å; M259-S271 WeakPolarHBondContact O-CA 3.44Å; M259-W272 CarbonylContact C-O 3.59Å; M259-W272 WeakPolarHBondContact CG-O 3.22Å; M259-W272 PolarHBondContact O-N 2.84Å; M259-M273 HydrophobicContact CE-CE 4.2Å; M259-L364 HydrophobicContact CB-CD1 4.24Å; M259-L364 HydrophobicContact CE-CD1 3.4Å
260	V	82.5	Confident	73	Confident	28 Å²	28	42.8 Å²	42.8	17%	0.17	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	155.5	-180	-60.4	0	0	0	0	111	S252 S253 W255 T258 L262	S252-V260 CarbonylContact C-O 3.58Å; S252-V260 VanDerWaalsContact CA-O 3.22Å; S252-V260 WeakPolarHBondContact CA-O 3.36Å; S253-V260 PolarHBondContact N-O 3.34Å; S253-V260 WeakPolarHBondContact O-CG2 3.21Å; S253-V260 PolarHBondContact O-N 3.38Å; W255-V260 HydrophobicContact CB-CG1 4.15Å; W255-V260 HydrophobicContact CB-CG2 3.94Å; W255-V260 HydrophobicContact CE3-CG2 4.19Å; T258-V260 HydrophobicContact CG2-CG1 4.18Å; V260-L262 HydrophobicContact CG2-CD2 3.83Å; V260-L262 HydrophobicContact CG2-CG 4.4Å
261	I	79.5	Confident	72.9	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	117.2	169.1	-49.5	170.6	0	0	0	107.9	M251 V264 I266 W272 L274 A284 W311	M251-I261 CarbonylContact O-C 3.59Å; M251-I261 WeakPolarHBondContact O-CA 3.45Å; I261-V264 VanDerWaalsContact O-O 3.06Å; I261-I266 HydrophobicContact CB-CD1 3.71Å; I261-I266 HydrophobicContact CD1-CD1 4.18Å; I261-I266 HydrophobicContact CG1-CD1 3.77Å; I261-W272 HydrophobicContact CD1-CB 4.17Å; I261-W272 HydrophobicContact CG1-CB 4Å; I261-L274 HydrophobicContact CD1-CB 4.12Å; I261-L274 HydrophobicContact CD1-CD1 4.36Å; I261-L274 HydrophobicContact CG1-CB 4.1Å; I261-L274 HydrophobicContact CG2-CB 4.07Å; I261-L274 HydrophobicContact CG2-CD1 4.45Å; I261-L274 HydrophobicContact CG2-CD2 4.09Å; I261-L274 HydrophobicContact CG2-CG 4.47Å; I261-A284 HydrophobicContact CD1-CB 3.75Å; I261-W311 HydrophobicContact CD1-CH2 3.75Å; I261-W311 HydrophobicContact CD1-CZ2 3.99Å
262	L	74.3	Confident	72.9	Confident	29 Å²	29	42.3 Å²	42.3	15%	0.152	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	151.5	178.9	-60.8	178.6	0	0	0	111.6	F229 L232 M251 W255 V260 V264	F229-L262 HydrophobicContact CE2-CD1 4.02Å; F229-L262 HydrophobicContact CE2-CD2 4.35Å; L232-L262 HydrophobicContact CD2-CD1 3.21Å; M251-L262 HydrophobicContact CG-CB 4.24Å; M251-L262 HydrophobicContact CG-CD1 4.38Å; M251-L262 PolarHBondContact O-N 2.87Å; W255-L262 HydrophobicContact CE3-CD2 4.45Å; V260-L262 HydrophobicContact CG2-CD2 3.83Å; V260-L262 HydrophobicContact CG2-CG 4.4Å; L262-V264 VanDerWaalsContact C-N 3.26Å
263	S	65.6	Low	73	Confident	69 Å²	69	45.9 Å²	45.9	48%	0.483	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	4.1	-165	-162.7	0	0	0	0	115.9
264	V	52.3	Low	73.1	Confident	16 Å²	16	46.3 Å²	46.3	10%	0.097	24%	0.243	C	C	.	.	S	Bend	trans	-125.6	129	171.6	172.6	0	0	0	0	108.4	F250 I261 L262 I266 L282 L300 V309 W311	F250-V264 HydrophobicContact CD1-CG2 3.87Å; F250-V264 HydrophobicContact CE1-CG2 3.76Å; I261-V264 VanDerWaalsContact O-O 3.06Å; L262-V264 VanDerWaalsContact C-N 3.26Å; V264-I266 HydrophobicContact CG1-CG1 4.03Å; V264-I266 PolarHBondContact O-N 3.15Å; V264-L282 HydrophobicContact CG2-CD1 3.6Å; V264-L300 HydrophobicContact CG2-CD2 4.48Å; V264-V309 HydrophobicContact CB-CG2 4.37Å; V264-V309 HydrophobicContact CG1-CB 3.63Å; V264-V309 HydrophobicContact CG1-CG1 3.95Å; V264-V309 HydrophobicContact CG1-CG2 3.53Å; V264-V309 HydrophobicContact CG2-CG2 4.24Å; V264-W311 HydrophobicContact CG1-CZ2 4.19Å
265	D	49.4	Very low	73.3	Confident	102 Å²	102	49.6 Å²	49.6	55%	0.545	26%	0.26	S	S	.	.			trans	-68.4	117.6	166.7	-170.4	7.5	0	0	0	108.4
266	I	50.3	Low	73.5	Confident	31 Å²	31	48.1 Å²	48.1	16%	0.159	26%	0.257	C	S	.	.			trans	-114.2	101.1	175	-54.8	-176.7	0	0	0	106.8	I261 V264 W272	I261-I266 HydrophobicContact CB-CD1 3.71Å; I261-I266 HydrophobicContact CD1-CD1 4.18Å; I261-I266 HydrophobicContact CG1-CD1 3.77Å; V264-I266 HydrophobicContact CG1-CG1 4.03Å; V264-I266 PolarHBondContact O-N 3.15Å; I266-W272 HydrophobicContact CD1-CB 3.73Å; I266-W272 HydrophobicContact CD1-CD2 4.31Å; I266-W272 HydrophobicContact CD1-CG 3.78Å; I266-W272 VanDerWaalsContact CG2-CD1 3.46Å; I266-W272 HydrophobicContact CG2-CD2 4.13Å; I266-W272 HydrophobicContact CG2-CG 3.99Å; I266-W272 HydrophobicContact CG2-CZ2 4.37Å; I266-W272 VanDerWaalsContact CG2-NE1 3.26Å
267	E	43.8	Very low	73.7	Confident	111 Å²	111	48 Å²	48	52%	0.519	26%	0.255	S	S	.	.			trans	-71.6	139.9	159.1	-63.3	-172.5	164.3	0	0	108.5	Q308	E267-Q308 PolarHBondContact OE1-NE2 2.79Å
268	N	55.2	Low	73.9	Confident	119 Å²	119	49.9 Å²	49.9	64%	0.636	27%	0.271	S	S	*	.	S	Bend	trans	126.5	152.8	159.5	-60.3	-45.9	0	0	0	116.1	H270	N268-H270 PolarHBondContact O-N 3.42Å
269	D	63.5	Low	73.9	Confident	148 Å²	148	55.4 Å²	55.4	79%	0.791	30%	0.295	S	S	*	.	S	Bend	trans	-67.9	24.6	178.5	-59.8	-35.3	0	0	0	115.4
270	H	69	Low	73.9	Confident	67 Å²	67	55.8 Å²	55.8	31%	0.31	30%	0.298	S	S	.	.	S	Bend	trans	-110	150.2	-176.8	-66.3	-63.3	0	0	0	111	T258 N268 V286	T258-H270 VanDerWaalsContact CG2-O 3.24Å; T258-H270 WeakPolarHBondContact CG2-O 3.36Å; N268-H270 PolarHBondContact O-N 3.42Å; H270-V286 HydrophobicContact CB-CG2 3.62Å
271	S	81.4	Confident	74.3	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.014	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.8	166.5	-78	0	0	0	0	110.8	M259 V286 S287 T365 S366	M259-S271 PolarHBondContact N-OG 2.9Å; M259-S271 WeakPolarHBondContact O-CA 3.44Å; S271-V286 WeakPolarHBondContact O-CA 3.24Å; S271-S287 PolarHBondContact N-O 3.28Å; S271-S287 PolarHBondContact O-N 3.17Å; S271-T365 VanDerWaalsContact OG-C 3.24Å; S271-T365 PolarHBondContact OG-OG1 3.25Å; S271-S366 WeakPolarHBondContact CB-OG 3.31Å; S271-S366 PolarHBondContact OG-N 2.82Å; S271-S366 VanDerWaalsContact OG-N 3.15Å; S271-S366 PolarHBondContact OG-OG 2.86Å; S271-S366 VanDerWaalsContact OG-OG 3.09Å
272	W	84.2	Confident	74.9	Confident	8 Å²	8	59.8 Å²	59.8	3%	0.03	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127	-177.9	-64.7	79.6	0	0	0	111.3	M259 I261 I266 A284 S285 V286 A296 W311 L313	M259-W272 CarbonylContact C-O 3.59Å; M259-W272 WeakPolarHBondContact CG-O 3.22Å; M259-W272 PolarHBondContact O-N 2.84Å; I261-W272 HydrophobicContact CD1-CB 4.17Å; I261-W272 HydrophobicContact CG1-CB 4Å; I266-W272 HydrophobicContact CD1-CB 3.73Å; I266-W272 HydrophobicContact CD1-CD2 4.31Å; I266-W272 HydrophobicContact CD1-CG 3.78Å; I266-W272 VanDerWaalsContact CG2-CD1 3.46Å; I266-W272 HydrophobicContact CG2-CD2 4.13Å; I266-W272 HydrophobicContact CG2-CG 3.99Å; I266-W272 HydrophobicContact CG2-CZ2 4.37Å; I266-W272 VanDerWaalsContact CG2-NE1 3.26Å; W272-A284 HydrophobicContact CE3-CB 4.22Å; W272-S285 CarbonylContact C-O 3.6Å; W272-S285 WeakPolarHBondContact CA-O 3.48Å; W272-V286 HydrophobicContact CD2-CB 3.91Å; W272-V286 HydrophobicContact CD2-CG2 3.71Å; W272-V286 VanDerWaalsContact CE2-CG2 3.47Å; W272-V286 HydrophobicContact CE3-CB 3.8Å; W272-V286 HydrophobicContact CE3-CG2 4.07Å; W272-V286 HydrophobicContact CG-CG2 4.28Å; W272-V286 HydrophobicContact CH2-CB 4.18Å; W272-V286 HydrophobicContact CH2-CG1 4.48Å; W272-V286 HydrophobicContact CH2-CG2 4.04Å; W272-V286 HydrophobicContact CZ2-CB 4.28Å; W272-V286 HydrophobicContact CZ2-CG2 3.66Å; W272-V286 HydrophobicContact CZ3-CB 3.93Å; W272-V286 HydrophobicContact CZ3-CG1 4.39Å; W272-V286 HydrophobicContact CZ3-CG2 4.22Å; W272-A296 HydrophobicContact CE3-CB 4.48Å; W272-A296 HydrophobicContact CH2-CB 4.42Å; W272-A296 HydrophobicContact CZ3-CB 3.65Å; W272-W311 HydrophobicContact CE3-CD2 4.37Å; W272-W311 HydrophobicContact CE3-CZ2 4.44Å; W272-W311 HydrophobicContact CH2-CB 4.04Å; W272-W311 AromaticContact CH2-CD1 3.9Å; W272-W311 AromaticContact CH2-CD2 3.98Å; W272-W311 HydrophobicContact CH2-CD2 3.98Å; W272-W311 AromaticContact CH2-CG 3.7Å; W272-W311 HydrophobicContact CH2-CG 3.7Å; W272-W311 HydrophobicContact CZ3-CB 4.34Å; W272-W311 AromaticContact CZ3-CD2 3.53Å; W272-W311 HydrophobicContact CZ3-CD2 3.53Å; W272-W311 AromaticContact CZ3-CE2 3.84Å; W272-W311 AromaticContact CZ3-CE3 3.81Å; W272-W311 HydrophobicContact CZ3-CE3 3.81Å; W272-W311 AromaticContact CZ3-CG 3.78Å; W272-W311 HydrophobicContact CZ3-CG 3.78Å; W272-W311 HydrophobicContact CZ3-CZ2 4.36Å; W272-W311 HydrophobicContact CZ3-CZ3 4.35Å; W272-L313 HydrophobicContact CH2-CD2 3.95Å; W272-L313 HydrophobicContact CZ3-CD2 4.37Å
273	M	87.1	Confident	75.7	Confident	92 Å²	92	60.9 Å²	60.9	45%	0.453	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.1	175	-177.1	174	-73.5	0	0	109.8	S252 M259 L275 A284 S285	S252-M273 WeakPolarHBondContact OG-CA 3.08Å; M259-M273 HydrophobicContact CE-CE 4.2Å; M273-L275 HydrophobicContact CG-CD2 4.39Å; M273-L275 PolarHBondContact O-N 2.78Å; M273-A284 CarbonylContact O-C 3.58Å; M273-A284 WeakPolarHBondContact O-CA 3.4Å; M273-A284 WeakPolarHBondContact O-CB 3.42Å; M273-S285 PolarHBondContact N-O 3.04Å; M273-S285 PolarHBondContact O-N 3.32Å
274	L	87.4	Confident	76.8	Confident	10 Å²	10	57.6 Å²	57.6	5%	0.052	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	122.5	173.4	-176.6	66.9	0	0	0	109	P238 F250 S252 I261 V277 L282	P238-L274 HydrophobicContact CG-CD2 3.89Å; P238-L274 HydrophobicContact CG-CG 4.22Å; F250-L274 HydrophobicContact CB-CD2 3.36Å; S252-L274 PolarHBondContact OG-N 3.46Å; I261-L274 HydrophobicContact CD1-CB 4.12Å; I261-L274 HydrophobicContact CD1-CD1 4.36Å; I261-L274 HydrophobicContact CG1-CB 4.1Å; I261-L274 HydrophobicContact CG2-CB 4.07Å; I261-L274 HydrophobicContact CG2-CD1 4.45Å; I261-L274 HydrophobicContact CG2-CD2 4.09Å; I261-L274 HydrophobicContact CG2-CG 4.47Å; L274-V277 HydrophobicContact CD1-CG2 4.13Å; L274-V277 HydrophobicContact CD2-CG2 3.94Å; L274-V277 HydrophobicContact CG-CG2 4.38Å; L274-L282 HydrophobicContact CD1-CB 4.29Å; L274-L282 HydrophobicContact CD1-CD2 4.3Å
275	L	89.7	Confident	78.6	Confident	77 Å²	77	57.7 Å²	57.7	40%	0.403	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-39.6	179.3	-58.4	179.8	0	0	0	111	M273 L283 L295	M273-L275 HydrophobicContact CG-CD2 4.39Å; M273-L275 PolarHBondContact O-N 2.78Å; L275-L283 HydrophobicContact CB-CD2 4.31Å; L275-L283 HydrophobicContact CB-CG 4.24Å; L275-L283 WeakPolarHBondContact CB-O 3.48Å; L275-L283 HydrophobicContact CD1-CD2 4.45Å; L275-L283 HydrophobicContact CD1-CG 4.29Å; L275-L283 PolarHBondContact N-O 3.4Å; L275-L295 HydrophobicContact CD1-CD2 3.67Å
276	D	88.9	Confident	80.3	Confident	39 Å²	39	53.2 Å²	53.2	21%	0.209	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	157.8	-173.6	-168.3	24.6	0	0	0	112.8	R240 L283	R240-D276 IonicContact CZ-OD1 2.73Å; R240-D276 IonicContact CZ-OD2 3.34Å; R240-D276 IonicContact NE-OD1 3.97Å; R240-D276 PolarHBondContact NE-OD1 3.35Å; R240-D276 IonicContact NE-OD2 2.67Å; R240-D276 IonicContact NH2-OD1 3.33Å; R240-D276 PolarHBondContact NH2-OD1 3.1Å; R240-D276 VanDerWaalsContact NH2-OD1 3.15Å; R240-D276 IonicContact NH2-OD2 2.86Å; R240-D276 PolarHBondContact NH2-OD2 3.34Å; D276-L283 HydrophobicContact CB-CB 4.23Å; D276-L283 HydrophobicContact CB-CD2 4.45Å; D276-L283 PolarHBondContact N-O 2.84Å; D276-L283 PolarHBondContact O-N 3.01Å
277	V	87.8	Confident	82	Confident	3 Å²	3	52 Å²	52	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128.5	173.4	-175.4	0	0	0	0	109.3	R240 W242 F250 L274 Y281 L282	R240-V277 HydrophobicContact CB-CB 4.49Å; R240-V277 WeakPolarHBondContact CB-O 3.19Å; R240-V277 WeakPolarHBondContact CD-O 3.45Å; R240-V277 PolarHBondContact NE-O 3.35Å; R240-V277 WeakPolarHBondContact O-CB 3.5Å; R240-V277 WeakPolarHBondContact O-CG2 3.36Å; R240-V277 PolarHBondContact O-N 3.04Å; W242-V277 VanDerWaalsContact O-CG1 3.3Å; W242-V277 WeakPolarHBondContact O-CG1 2.93Å; F250-V277 HydrophobicContact CB-CG2 4.19Å; F250-V277 HydrophobicContact CD2-CG1 4.25Å; F250-V277 HydrophobicContact CD2-CG2 4.09Å; F250-V277 HydrophobicContact CG-CG2 4.47Å; L274-V277 HydrophobicContact CD1-CG2 4.13Å; L274-V277 HydrophobicContact CD2-CG2 3.94Å; L274-V277 HydrophobicContact CG-CG2 4.38Å; V277-Y281 WeakPolarHBondContact CA-O 3.22Å; V277-L282 HydrophobicContact CB-CD2 4.41Å; V277-L282 HydrophobicContact CG1-CD2 4.01Å; V277-L282 HydrophobicContact CG2-CD2 3.76Å
278	A	89.1	Confident	83.8	Confident	42 Å²	42	47 Å²	47	35%	0.347	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	122.8	177.9	0	0	0	0	0	111.2	D280 Y281	A278-D280 PolarHBondContact O-N 3.46Å; A278-D280 VanDerWaalsContact O-N 3.12Å; A278-Y281 PolarHBondContact N-O 2.88Å; A278-Y281 WeakPolarHBondContact O-CA 3.49Å; A278-Y281 VanDerWaalsContact O-CB 3.28Å; A278-Y281 WeakPolarHBondContact O-CB 3.48Å; A278-Y281 WeakPolarHBondContact O-CD2 3.16Å; A278-Y281 PolarHBondContact O-N 3.34Å
279	E	85.1	Confident	85.1	Confident	145 Å²	145	41.5 Å²	41.5	68%	0.678	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.9	43.9	176.9	-59.7	-178.5	-168.5	0	0	113.2	Y281	E279-Y281 PolarHBondContact O-N 3.46Å
280	D	86.5	Confident	85.9	Confident	32 Å²	32	36.9 Å²	36.9	17%	0.171	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	6.1	-175.4	-63.1	-35.9	0	0	0	116.8	N244 A278 L300	N244-D280 VanDerWaalsContact CB-CG 3.47Å; N244-D280 WeakPolarHBondContact CB-OD1 3.3Å; N244-D280 VanDerWaalsContact CB-OD2 3.29Å; N244-D280 WeakPolarHBondContact CB-OD2 3.25Å; N244-D280 PolarHBondContact N-OD1 3.16Å; A278-D280 PolarHBondContact O-N 3.46Å; A278-D280 VanDerWaalsContact O-N 3.12Å; D280-L300 HydrophobicContact CB-CB 4.16Å; D280-L300 HydrophobicContact CB-CD1 3.97Å; D280-L300 HydrophobicContact CB-CG 4.42Å; D280-L300 WeakPolarHBondContact O-CG 3.06Å; D280-L300 PolarHBondContact O-N 3.23Å
281	Y	91.2	Very high	86.6	Confident	113 Å²	113	34.8 Å²	34.8	44%	0.443	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	135.1	163.1	-65.6	-90.8	0	0	0	111.2	V277 A278 E279 L297 S298 H299	V277-Y281 WeakPolarHBondContact CA-O 3.22Å; A278-Y281 PolarHBondContact N-O 2.88Å; A278-Y281 WeakPolarHBondContact O-CA 3.49Å; A278-Y281 VanDerWaalsContact O-CB 3.28Å; A278-Y281 WeakPolarHBondContact O-CB 3.48Å; A278-Y281 WeakPolarHBondContact O-CD2 3.16Å; A278-Y281 PolarHBondContact O-N 3.34Å; E279-Y281 PolarHBondContact O-N 3.46Å; Y281-L297 HydrophobicContact CD1-CD1 4.26Å; Y281-L297 HydrophobicContact CD1-CG 4.43Å; Y281-S298 CarbonylContact C-O 3.59Å; Y281-S298 VanDerWaalsContact CA-O 3.25Å; Y281-S298 WeakPolarHBondContact CA-O 3.29Å; Y281-H299 HydrophobicContact CD1-CB 4.02Å; Y281-H299 HydrophobicContact CE1-CB 3.94Å; Y281-H299 AromaticContact CE1-CD2 3.71Å; Y281-H299 AromaticContact CE2-CD2 3.71Å; Y281-H299 AromaticContact CZ-CD2 3.55Å
282	L	90.1	Very high	86.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.9	173	-55.8	-178.8	0	0	0	109.2	F250 V264 L274 V277 L297 S298 L300 W311	F250-L282 HydrophobicContact CD1-CD2 4.29Å; F250-L282 HydrophobicContact CD2-CD2 3.95Å; F250-L282 HydrophobicContact CE1-CD2 4.49Å; F250-L282 HydrophobicContact CE2-CD2 4.16Å; F250-L282 HydrophobicContact CG-CD2 4.04Å; F250-L282 HydrophobicContact CZ-CD2 4.44Å; V264-L282 HydrophobicContact CG2-CD1 3.6Å; L274-L282 HydrophobicContact CD1-CB 4.29Å; L274-L282 HydrophobicContact CD1-CD2 4.3Å; V277-L282 HydrophobicContact CB-CD2 4.41Å; V277-L282 HydrophobicContact CG1-CD2 4.01Å; V277-L282 HydrophobicContact CG2-CD2 3.76Å; L282-L297 WeakPolarHBondContact O-CA 3.37Å; L282-S298 PolarHBondContact N-O 3.04Å; L282-S298 PolarHBondContact O-N 3.1Å; L282-L300 HydrophobicContact CD1-CD2 3.76Å; L282-L300 HydrophobicContact CD1-CG 4.36Å; L282-L300 HydrophobicContact CD2-CG 4.48Å; L282-L300 HydrophobicContact CG-CD2 4.18Å; L282-L300 HydrophobicContact CG-CG 4.24Å; L282-W311 HydrophobicContact CB-CH2 3.87Å; L282-W311 HydrophobicContact CB-CZ3 4.11Å; L282-W311 HydrophobicContact CD1-CH2 4.08Å; L282-W311 HydrophobicContact CD1-CZ2 4.4Å
283	L	91.8	Very high	86.9	Confident	53 Å²	53	40 Å²	40	28%	0.277	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.4	169.2	-178.3	68.1	0	0	0	108.8	L275 D276 L295	L275-L283 HydrophobicContact CB-CD2 4.31Å; L275-L283 HydrophobicContact CB-CG 4.24Å; L275-L283 WeakPolarHBondContact CB-O 3.48Å; L275-L283 HydrophobicContact CD1-CD2 4.45Å; L275-L283 HydrophobicContact CD1-CG 4.29Å; L275-L283 PolarHBondContact N-O 3.4Å; D276-L283 HydrophobicContact CB-CB 4.23Å; D276-L283 HydrophobicContact CB-CD2 4.45Å; D276-L283 PolarHBondContact N-O 2.84Å; D276-L283 PolarHBondContact O-N 3.01Å; L283-L295 HydrophobicContact CD1-CD2 4.39Å
284	A	89.6	Confident	86.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	156.7	-179.8	0	0	0	0	0	112.2	I261 W272 M273 L295 A296 W311	I261-A284 HydrophobicContact CD1-CB 3.75Å; W272-A284 HydrophobicContact CE3-CB 4.22Å; M273-A284 CarbonylContact O-C 3.58Å; M273-A284 WeakPolarHBondContact O-CA 3.4Å; M273-A284 WeakPolarHBondContact O-CB 3.42Å; A284-L295 CarbonylContact O-C 3.58Å; A284-L295 WeakPolarHBondContact O-CA 3.27Å; A284-A296 HydrophobicContact CB-CB 4.42Å; A284-A296 PolarHBondContact N-O 3.46Å; A284-A296 PolarHBondContact O-N 3.37Å; A284-W311 HydrophobicContact CB-CH2 3.85Å; A284-W311 HydrophobicContact CB-CZ3 3.68Å
285	S	89.6	Confident	87.1	Confident	18 Å²	18	42.1 Å²	42.1	13%	0.126	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132.1	162.8	-173.8	0	0	0	0	108.8	W272 M273 N293 R294	W272-S285 CarbonylContact C-O 3.6Å; W272-S285 WeakPolarHBondContact CA-O 3.48Å; M273-S285 PolarHBondContact N-O 3.04Å; M273-S285 PolarHBondContact O-N 3.32Å; S285-N293 PolarHBondContact OG-OD1 2.75Å; S285-N293 VanDerWaalsContact OG-OD1 3.07Å; S285-R294 CarbonylContact C-O 3.53Å; S285-R294 WeakPolarHBondContact CA-O 3.42Å
286	V	84.9	Confident	87.1	Confident	8 Å²	8	38.4 Å²	38.4	5%	0.048	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.9	175.3	62.1	0	0	0	0	110.3	H270 S271 W272 N293 R294 A296 L313	H270-V286 HydrophobicContact CB-CG2 3.62Å; S271-V286 WeakPolarHBondContact O-CA 3.24Å; W272-V286 HydrophobicContact CD2-CB 3.91Å; W272-V286 HydrophobicContact CD2-CG2 3.71Å; W272-V286 VanDerWaalsContact CE2-CG2 3.47Å; W272-V286 HydrophobicContact CE3-CB 3.8Å; W272-V286 HydrophobicContact CE3-CG2 4.07Å; W272-V286 HydrophobicContact CG-CG2 4.28Å; W272-V286 HydrophobicContact CH2-CB 4.18Å; W272-V286 HydrophobicContact CH2-CG1 4.48Å; W272-V286 HydrophobicContact CH2-CG2 4.04Å; W272-V286 HydrophobicContact CZ2-CB 4.28Å; W272-V286 HydrophobicContact CZ2-CG2 3.66Å; W272-V286 HydrophobicContact CZ3-CB 3.93Å; W272-V286 HydrophobicContact CZ3-CG1 4.39Å; W272-V286 HydrophobicContact CZ3-CG2 4.22Å; V286-N293 CarbonylContact O-C 3.53Å; V286-N293 WeakPolarHBondContact O-CA 3.34Å; V286-R294 HydrophobicContact CG1-CB 4Å; V286-R294 PolarHBondContact N-O 2.85Å; V286-R294 PolarHBondContact O-N 3.09Å; V286-A296 HydrophobicContact CG1-CB 4.3Å; V286-L313 HydrophobicContact CG1-CD2 3.83Å
287	S	85.7	Confident	87.3	Confident	4 Å²	4	39.1 Å²	39.1	3%	0.028	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	165	174.8	64	0	0	0	0	112.6	S271 S291 N293 S366 F367	S271-S287 PolarHBondContact N-O 3.28Å; S271-S287 PolarHBondContact O-N 3.17Å; S287-S291 WeakPolarHBondContact CB-O 3.11Å; S287-N293 WeakPolarHBondContact CB-OD1 3.39Å; S287-N293 PolarHBondContact OG-OD1 3.25Å; S287-S366 WeakPolarHBondContact OG-CA 3.17Å; S287-F367 PolarHBondContact OG-N 2.81Å
288	S	82.6	Confident	87.4	Confident	7 Å²	7	39.1 Å²	39.1	5%	0.049	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	168.3	163.4	55	0	0	0	0	109.3	N290 S291 T365 F367	S288-N290 WeakPolarHBondContact CB-OD1 3.25Å; S288-N290 PolarHBondContact O-N 2.9Å; S288-N290 PolarHBondContact OG-OD1 2.86Å; S288-S291 PolarHBondContact N-O 2.94Å; S288-S291 VanDerWaalsContact N-O 3.11Å; S288-S291 CarbonylContact O-C 3.06Å; S288-S291 PolarHBondContact O-N 2.71Å; S288-S291 WeakPolarHBondContact OG-CB 2.92Å; S288-S291 PolarHBondContact OG-N 2.88Å; S288-T365 CarbonylContact C-O 3.56Å; S288-T365 WeakPolarHBondContact CA-O 3.4Å; S288-F367 WeakPolarHBondContact O-CA 3.5Å; S288-F367 WeakPolarHBondContact O-CB 3.19Å; S288-F367 PolarHBondContact O-N 2.87Å
289	P	82.3	Confident	87.4	Confident	4 Å²	4	41.9 Å²	41.9	3%	0.026	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.7	-179.2	-24.9	39.4	0	0	0	113.8	F323 V326 I339 L341 T365	P289-F323 WeakPolarHBondContact O-CZ 3.41Å; P289-V326 HydrophobicContact CB-CG1 4.18Å; P289-V326 HydrophobicContact CB-CG2 3.82Å; P289-V326 HydrophobicContact CG-CG1 3.72Å; P289-V326 HydrophobicContact CG-CG2 4.15Å; P289-I339 HydrophobicContact CG-CG2 4.13Å; P289-L341 HydrophobicContact CB-CD1 4.32Å; P289-L341 HydrophobicContact CB-CD2 3.36Å; P289-L341 HydrophobicContact CB-CG 4.46Å; P289-L341 HydrophobicContact CG-CD2 4.18Å; P289-T365 WeakPolarHBondContact CD-O 3.48Å
290	N	80.7	Confident	87.2	Confident	50 Å²	50	35.1 Å²	35.1	27%	0.267	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	1.2	176.1	66.2	-13.8	0	0	0	114.4	S288 F323 S324 V326	S288-N290 WeakPolarHBondContact CB-OD1 3.25Å; S288-N290 PolarHBondContact O-N 2.9Å; S288-N290 PolarHBondContact OG-OD1 2.86Å; N290-F323 WeakPolarHBondContact O-CE1 3.35Å; N290-S324 WeakPolarHBondContact CB-OG 3.17Å; N290-V326 HydrophobicContact CB-CG2 3.91Å
291	S	82.3	Confident	86.7	Confident	23 Å²	23	35.1 Å²	35.1	16%	0.161	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	114.3	-178.3	-171.9	0	0	0	0	110.2	S287 S288 F367	S287-S291 WeakPolarHBondContact CB-O 3.11Å; S288-S291 PolarHBondContact N-O 2.94Å; S288-S291 VanDerWaalsContact N-O 3.11Å; S288-S291 CarbonylContact O-C 3.06Å; S288-S291 PolarHBondContact O-N 2.71Å; S288-S291 WeakPolarHBondContact OG-CB 2.92Å; S288-S291 PolarHBondContact OG-N 2.88Å; S291-F367 WeakPolarHBondContact O-CB 3.35Å
292	P	86.6	Confident	85.6	Confident	32 Å²	32	32.4 Å²	32.4	21%	0.208	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	162.2	178.2	-25.9	35.1	0	0	0	113.8	R294 A318 F367	P292-R294 PolarHBondContact O-N 3.09Å; P292-A318 HydrophobicContact CG-CB 4.2Å; P292-F367 HydrophobicContact CB-CD2 4.42Å; P292-F367 HydrophobicContact CB-CE2 4.5Å; P292-F367 HydrophobicContact CB-CG 4.42Å; P292-F367 HydrophobicContact CG-CD2 4.17Å; P292-F367 HydrophobicContact CG-CE2 3.93Å; P292-F367 HydrophobicContact CG-CZ 4.22Å
293	N	86.2	Confident	84.2	Confident	89 Å²	89	39.6 Å²	39.6	48%	0.476	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	131.4	178.5	-69.6	-72.9	0	0	0	112.5	S285 V286 S287	S285-N293 PolarHBondContact OG-OD1 2.75Å; S285-N293 VanDerWaalsContact OG-OD1 3.07Å; V286-N293 CarbonylContact O-C 3.53Å; V286-N293 WeakPolarHBondContact O-CA 3.34Å; S287-N293 WeakPolarHBondContact CB-OD1 3.39Å; S287-N293 PolarHBondContact OG-OD1 3.25Å
294	R	86.9	Confident	82.5	Confident	65 Å²	65	46.3 Å²	46.3	25%	0.245	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.1	173.1	-66.2	172	60.4	-168.2	1.6	109.5	S285 V286 P292 F314	S285-R294 CarbonylContact C-O 3.53Å; S285-R294 WeakPolarHBondContact CA-O 3.42Å; V286-R294 HydrophobicContact CG1-CB 4Å; V286-R294 PolarHBondContact N-O 2.85Å; V286-R294 PolarHBondContact O-N 3.09Å; P292-R294 PolarHBondContact O-N 3.09Å; R294-F314 PolarHBondContact NE-O 3.38Å; R294-F314 PolarHBondContact NH2-O 2.78Å
295	L	92.4	Very high	81	Confident	80 Å²	80	48.4 Å²	48.4	42%	0.419	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	142.1	168.6	-66.4	175.4	0	0	0	110	L275 L283 A284 F314	L275-L295 HydrophobicContact CD1-CD2 3.67Å; L283-L295 HydrophobicContact CD1-CD2 4.39Å; A284-L295 CarbonylContact O-C 3.58Å; A284-L295 WeakPolarHBondContact O-CA 3.27Å; L295-F314 HydrophobicContact CB-CB 4.14Å; L295-F314 HydrophobicContact CB-CD2 3.81Å; L295-F314 HydrophobicContact CB-CE2 4.43Å; L295-F314 HydrophobicContact CB-CG 3.98Å; L295-F314 WeakPolarHBondContact O-CB 3.45Å; L295-F314 WeakPolarHBondContact O-CD2 2.89Å; L295-F314 PolarHBondContact O-N 3.3Å
296	A	89.1	Confident	79.4	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.2	173.2	0	0	0	0	0	108.4	W272 A284 V286 W311 L312 L313	W272-A296 HydrophobicContact CE3-CB 4.48Å; W272-A296 HydrophobicContact CH2-CB 4.42Å; W272-A296 HydrophobicContact CZ3-CB 3.65Å; A284-A296 HydrophobicContact CB-CB 4.42Å; A284-A296 PolarHBondContact N-O 3.46Å; A284-A296 PolarHBondContact O-N 3.37Å; V286-A296 HydrophobicContact CG1-CB 4.3Å; A296-W311 HydrophobicContact CB-CE3 3.72Å; A296-W311 HydrophobicContact CB-CZ3 4.25Å; A296-L312 WeakPolarHBondContact CA-O 3.2Å; A296-L313 HydrophobicContact CB-CD2 3.54Å
297	L	93.2	Very high	78.1	Confident	53 Å²	53	59.4 Å²	59.4	28%	0.277	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.3	174.9	-177.4	70.2	0	0	0	108.5	Y281 L282 L312 F314	Y281-L297 HydrophobicContact CD1-CD1 4.26Å; Y281-L297 HydrophobicContact CD1-CG 4.43Å; L282-L297 WeakPolarHBondContact O-CA 3.37Å; L297-L312 PolarHBondContact N-O 2.83Å; L297-L312 WeakPolarHBondContact O-CB 3.42Å; L297-L312 PolarHBondContact O-N 2.81Å; L297-F314 HydrophobicContact CB-CE2 3.91Å
298	S	90	Very high	77.2	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	156.2	170.6	-176.4	0	0	0	0	110.3	Y281 L282 V309 K310 W311	Y281-S298 CarbonylContact C-O 3.59Å; Y281-S298 VanDerWaalsContact CA-O 3.25Å; Y281-S298 WeakPolarHBondContact CA-O 3.29Å; L282-S298 PolarHBondContact N-O 3.04Å; L282-S298 PolarHBondContact O-N 3.1Å; S298-V309 WeakPolarHBondContact OG-CG1 3.48Å; S298-K310 PolarHBondContact OG-O 3.21Å; S298-W311 VanDerWaalsContact CB-CE3 3.44Å
299	H	89.1	Confident	76.8	Confident	100 Å²	100	64.3 Å²	64.3	46%	0.463	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	130	167.2	-179.5	-88.3	0	0	0	107.7	Y281	Y281-H299 HydrophobicContact CD1-CB 4.02Å; Y281-H299 HydrophobicContact CE1-CB 3.94Å; Y281-H299 AromaticContact CE1-CD2 3.71Å; Y281-H299 AromaticContact CE2-CD2 3.71Å; Y281-H299 AromaticContact CZ-CD2 3.55Å
300	L	81.6	Confident	76.8	Confident	4 Å²	4	72.6 Å²	72.6	2%	0.021	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-60.1	137.2	-179.1	-68.8	166	0	0	0	110.4	F250 V264 D280 L282	F250-L300 HydrophobicContact CE1-CD1 4.34Å; F250-L300 HydrophobicContact CE1-CD2 3.79Å; F250-L300 HydrophobicContact CE2-CD1 3.58Å; F250-L300 HydrophobicContact CE2-CD2 4.49Å; F250-L300 HydrophobicContact CZ-CD1 3.32Å; F250-L300 HydrophobicContact CZ-CD2 3.56Å; F250-L300 HydrophobicContact CZ-CG 4.06Å; V264-L300 HydrophobicContact CG2-CD2 4.48Å; D280-L300 HydrophobicContact CB-CB 4.16Å; D280-L300 HydrophobicContact CB-CD1 3.97Å; D280-L300 HydrophobicContact CB-CG 4.42Å; D280-L300 WeakPolarHBondContact O-CG 3.06Å; D280-L300 PolarHBondContact O-N 3.23Å; L282-L300 HydrophobicContact CD1-CD2 3.76Å; L282-L300 HydrophobicContact CD1-CG 4.36Å; L282-L300 HydrophobicContact CD2-CG 4.48Å; L282-L300 HydrophobicContact CG-CD2 4.18Å; L282-L300 HydrophobicContact CG-CG 4.24Å
301	P	74.5	Confident	77	Confident	31 Å²	31	72.6 Å²	72.6	20%	0.201	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-62.5	150.6	169.7	22	-28.1	0	0	0	110.9	S305 V309	P301-S305 WeakPolarHBondContact CB-OG 3.43Å; P301-V309 HydrophobicContact CG-CG2 4.47Å
302	G	68.8	Low	77.4	Confident	56 Å²	56	77 Å²	77	58%	0.577	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-61.3	155.2	171.2	0	0	0	0	0	112.1	E304 S305	G302-E304 PolarHBondContact O-N 3.42Å; G302-S305 PolarHBondContact O-N 2.72Å
303	K	59.9	Low	77.5	Confident	151 Å²	151	78.8 Å²	78.8	66%	0.657	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45	-32	-171.9	-85.3	176.1	177.2	151.2	0	116.9	D245	D245-K303 WeakPolarHBondContact OD2-CE 3.29Å; D245-K303 IonicContact OD2-NZ 3.23Å; D245-K303 PolarHBondContact OD2-NZ 2.93Å
304	E	57.5	Low	77.6	Confident	194 Å²	194	78.7 Å²	78.7	91%	0.907	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-1.8	-172.9	-60.7	-168.5	174.3	0	0	114	G302	G302-E304 PolarHBondContact O-N 3.42Å
305	S	57.4	Low	77.2	Confident	45 Å²	45	80.8 Å²	80.8	32%	0.315	43%	0.425	S	S	.	.			trans	-90.3	115.8	-178.5	129.7	0	0	0	0	109.7	P301 G302 C307	P301-S305 WeakPolarHBondContact CB-OG 3.43Å; G302-S305 PolarHBondContact O-N 2.72Å; S305-C307 PolarHBondContact O-N 2.53Å; S305-C307 VanDerWaalsContact O-N 3.09Å; S305-C307 WeakPolarHBondContact OG-CB 3.39Å; S305-C307 PolarHBondContact OG-N 2.89Å; S305-C307 PolarHBondContact OG-SG 3.13Å
306	N	55.2	Low	76.2	Confident	176 Å²	176	80.4 Å²	80.4	94%	0.941	42%	0.421	S	S	*	.			trans	-68.8	14	158.6	-74.7	-10.5	0	0	0	112.3	Q308	N306-Q308 PolarHBondContact O-N 3.45Å
307	C	57.9	Low	75.1	Confident	81 Å²	81	87.3 Å²	87.3	55%	0.547	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-70.5	130.5	177.6	-59.8	0	0	0	0	110.3	S305	S305-C307 PolarHBondContact O-N 2.53Å; S305-C307 VanDerWaalsContact O-N 3.09Å; S305-C307 WeakPolarHBondContact OG-CB 3.39Å; S305-C307 PolarHBondContact OG-N 2.89Å; S305-C307 PolarHBondContact OG-SG 3.13Å
308	Q	67.4	Low	73.5	Confident	94 Å²	94	86.9 Å²	86.9	44%	0.439	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-53.6	146.8	163.9	-72.6	174.2	-12.2	0	0	110.8	E267 N306 K310	E267-Q308 PolarHBondContact OE1-NE2 2.79Å; N306-Q308 PolarHBondContact O-N 3.45Å; Q308-K310 PolarHBondContact O-N 2.86Å
309	V	74.7	Confident	71.9	Confident	20 Å²	20	90 Å²	90	12%	0.121	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-65.5	117.2	179	175.6	0	0	0	0	109.1	V264 S298 P301 W311	V264-V309 HydrophobicContact CB-CG2 4.37Å; V264-V309 HydrophobicContact CG1-CB 3.63Å; V264-V309 HydrophobicContact CG1-CG1 3.95Å; V264-V309 HydrophobicContact CG1-CG2 3.53Å; V264-V309 HydrophobicContact CG2-CG2 4.24Å; S298-V309 WeakPolarHBondContact OG-CG1 3.48Å; P301-V309 HydrophobicContact CG-CG2 4.47Å; V309-W311 HydrophobicContact CG1-CD2 4.48Å; V309-W311 HydrophobicContact CG1-CZ2 4.08Å
310	K	81	Confident	70.5	Confident	178 Å²	178	94.5 Å²	94.5	77%	0.774	52%	0.519	S	S	*	.			trans	-87.6	115.2	179.9	-70.6	-174.8	179.4	178.5	0	110.9	S298 Q308	S298-K310 PolarHBondContact OG-O 3.21Å; Q308-K310 PolarHBondContact O-N 2.86Å
311	W	86.4	Confident	69.6	Low	50 Å²	50	105.2 Å²	105.2	19%	0.189	56%	0.559	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-91	125.5	179.3	-64.5	94.8	0	0	0	112.3	I261 V264 W272 L282 A284 A296 S298 V309 L313	I261-W311 HydrophobicContact CD1-CH2 3.75Å; I261-W311 HydrophobicContact CD1-CZ2 3.99Å; V264-W311 HydrophobicContact CG1-CZ2 4.19Å; W272-W311 HydrophobicContact CE3-CD2 4.37Å; W272-W311 HydrophobicContact CE3-CZ2 4.44Å; W272-W311 HydrophobicContact CH2-CB 4.04Å; W272-W311 AromaticContact CH2-CD1 3.9Å; W272-W311 AromaticContact CH2-CD2 3.98Å; W272-W311 HydrophobicContact CH2-CD2 3.98Å; W272-W311 AromaticContact CH2-CG 3.7Å; W272-W311 HydrophobicContact CH2-CG 3.7Å; W272-W311 HydrophobicContact CZ3-CB 4.34Å; W272-W311 AromaticContact CZ3-CD2 3.53Å; W272-W311 HydrophobicContact CZ3-CD2 3.53Å; W272-W311 AromaticContact CZ3-CE2 3.84Å; W272-W311 AromaticContact CZ3-CE3 3.81Å; W272-W311 HydrophobicContact CZ3-CE3 3.81Å; W272-W311 AromaticContact CZ3-CG 3.78Å; W272-W311 HydrophobicContact CZ3-CG 3.78Å; W272-W311 HydrophobicContact CZ3-CZ2 4.36Å; W272-W311 HydrophobicContact CZ3-CZ3 4.35Å; L282-W311 HydrophobicContact CB-CH2 3.87Å; L282-W311 HydrophobicContact CB-CZ3 4.11Å; L282-W311 HydrophobicContact CD1-CH2 4.08Å; L282-W311 HydrophobicContact CD1-CZ2 4.4Å; A284-W311 HydrophobicContact CB-CH2 3.85Å; A284-W311 HydrophobicContact CB-CZ3 3.68Å; A296-W311 HydrophobicContact CB-CE3 3.72Å; A296-W311 HydrophobicContact CB-CZ3 4.25Å; S298-W311 VanDerWaalsContact CB-CE3 3.44Å; V309-W311 HydrophobicContact CG1-CD2 4.48Å; V309-W311 HydrophobicContact CG1-CZ2 4.08Å; W311-L313 HydrophobicContact CB-CD2 4.35Å
312	L	90.5	Very high	69.2	Low	114 Å²	114	107.3 Å²	107.3	60%	0.597	57%	0.572	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83	112.2	161.3	176.7	66.8	0	0	0	108.6	A296 L297	A296-L312 WeakPolarHBondContact CA-O 3.2Å; L297-L312 PolarHBondContact N-O 2.83Å; L297-L312 WeakPolarHBondContact O-CB 3.42Å; L297-L312 PolarHBondContact O-N 2.81Å
313	L	88.2	Confident	69.3	Low	70 Å²	70	107.1 Å²	107.1	37%	0.366	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.1	124.8	177.5	-59.2	179.9	0	0	0	111.2	W272 V286 A296 W311	W272-L313 HydrophobicContact CH2-CD2 3.95Å; W272-L313 HydrophobicContact CZ3-CD2 4.37Å; V286-L313 HydrophobicContact CG1-CD2 3.83Å; A296-L313 HydrophobicContact CB-CD2 3.54Å; W311-L313 HydrophobicContact CB-CD2 4.35Å
314	F	88	Confident	70.1	Confident	88 Å²	88	100 Å²	100	39%	0.386	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-67.2	147.7	173.7	-74.4	-109.2	0	0	0	110.2	R294 L295 L297	R294-F314 PolarHBondContact NE-O 3.38Å; R294-F314 PolarHBondContact NH2-O 2.78Å; L295-F314 HydrophobicContact CB-CB 4.14Å; L295-F314 HydrophobicContact CB-CD2 3.81Å; L295-F314 HydrophobicContact CB-CE2 4.43Å; L295-F314 HydrophobicContact CB-CG 3.98Å; L295-F314 WeakPolarHBondContact O-CB 3.45Å; L295-F314 WeakPolarHBondContact O-CD2 2.89Å; L295-F314 PolarHBondContact O-N 3.3Å; L297-F314 HydrophobicContact CB-CE2 3.91Å
315	P	79.3	Confident	71	Confident	108 Å²	108	97.4 Å²	97.4	70%	0.701	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-60	149.9	-177.6	25.2	-34.2	0	0	0	111.9
316	E	70.1	Confident	71.8	Confident	73 Å²	73	97.3 Å²	97.3	34%	0.341	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-69.5	134.1	174.2	-162.4	179.8	-179.8	0	0	110.1	A318	E316-A318 WeakPolarHBondContact CG-O 3.38Å
317	T	65.4	Low	72.7	Confident	145 Å²	145	91 Å²	91	89%	0.89	47%	0.469	S	S	*	.	S	Bend	trans	-87.5	-20.8	175.7	48.6	0	0	0	0	112.7
318	A	60	Low	73	Confident	43 Å²	43	90.1 Å²	90.1	36%	0.355	46%	0.459	S	S	.	.	S	Bend	trans	-95.6	148.6	178.2	0	0	0	0	0	111.6	P292 E316	P292-A318 HydrophobicContact CG-CB 4.2Å; E316-A318 WeakPolarHBondContact CG-O 3.38Å
319	G	56.7	Low	72.8	Confident	70 Å²	70	86.7 Å²	86.7	72%	0.722	45%	0.445	S	S	*	.			trans	-62.2	140.6	-174.9	0	0	0	0	0	114.2	R321	G319-R321 PolarHBondContact O-N 2.91Å
320	K	59.9	Low	72.1	Confident	194 Å²	194	91 Å²	91	84%	0.843	46%	0.462	S	S	*	.	S	Bend	trans	-58.9	1.8	-167.9	-67.9	-175.3	174.7	-177.6	0	119.3	P322	K320-P322 WeakPolarHBondContact O-CD 3.24Å
321	R	62	Low	71.2	Confident	228 Å²	228	83.4 Å²	83.4	86%	0.86	43%	0.432	S	S	*	.			trans	-91.4	117.3	-174.6	-72.5	-169.6	-175.4	-171.6	2.6	110.2	G319 F323	G319-R321 PolarHBondContact O-N 2.91Å; R321-F323 PolarHBondContact O-N 3.04Å
322	P	67.2	Low	69.9	Low	75 Å²	75	90.4 Å²	90.4	49%	0.487	47%	0.467	S	S	.	.			trans	-59.2	134.3	170.4	25.8	-32.2	0	0	0	108.2	K320 I344	K320-P322 WeakPolarHBondContact O-CD 3.24Å; P322-I344 HydrophobicContact CB-CD1 4.08Å; P322-I344 HydrophobicContact CG-CD1 4.1Å; P322-I344 VanDerWaalsContact O-CD1 3.28Å; P322-I344 WeakPolarHBondContact O-CD1 3.32Å
323	F	70.7	Confident	68.8	Low	53 Å²	53	92 Å²	92	23%	0.232	48%	0.476	C	S	.	.			trans	-95.7	-10.9	175.7	54.4	-92.2	0	0	0	111.8	P289 N290 R321 F367 A372	P289-F323 WeakPolarHBondContact O-CZ 3.41Å; N290-F323 WeakPolarHBondContact O-CE1 3.35Å; R321-F323 PolarHBondContact O-N 3.04Å; F323-F367 HydrophobicContact CE1-CE2 4.18Å; F323-F367 HydrophobicContact CZ-CD2 4.38Å; F323-F367 AromaticContact CZ-CE2 3.82Å; F323-F367 HydrophobicContact CZ-CE2 3.82Å; F323-A372 HydrophobicContact CD2-CB 4.42Å; F323-A372 HydrophobicContact CE1-CB 4.44Å; F323-A372 HydrophobicContact CE2-CB 3.45Å; F323-A372 VanDerWaalsContact CE2-CB 3.45Å; F323-A372 HydrophobicContact CZ-CB 3.45Å; F323-A372 VanDerWaalsContact CZ-CB 3.45Å
324	S	77.1	Confident	68	Low	0 Å²	0	90.1 Å²	90.1	0%	0	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	159.2	-179.6	64.2	0	0	0	0	112.3	N290 R342	N290-S324 WeakPolarHBondContact CB-OG 3.17Å; S324-R342 VanDerWaalsContact CA-O 3.27Å; S324-R342 WeakPolarHBondContact CA-O 3.21Å
325	R	77	Confident	67.4	Low	140 Å²	140	90.2 Å²	90.2	53%	0.528	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	142.9	159.8	-71.9	-179.2	-179.8	-169.4	5.4	109	L341 R342 I344	R325-L341 WeakPolarHBondContact O-CA 3.48Å; R325-R342 HydrophobicContact CB-CG 3.91Å; R325-R342 PolarHBondContact N-O 3.23Å; R325-R342 VanDerWaalsContact NH1-NH2 3.14Å; R325-R342 PolarHBondContact O-N 2.91Å; R325-I344 HydrophobicContact CG-CG1 4.31Å
326	V	73.1	Confident	67.7	Low	43 Å²	43	85.3 Å²	85.3	26%	0.261	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128	-175.7	-173	0	0	0	0	107.6	P289 N290 I339 Y340 L341	P289-V326 HydrophobicContact CB-CG1 4.18Å; P289-V326 HydrophobicContact CB-CG2 3.82Å; P289-V326 HydrophobicContact CG-CG1 3.72Å; P289-V326 HydrophobicContact CG-CG2 4.15Å; N290-V326 HydrophobicContact CB-CG2 3.91Å; V326-I339 HydrophobicContact CG1-CG2 4.11Å; V326-Y340 WeakPolarHBondContact CA-O 3.4Å; V326-L341 HydrophobicContact CB-CD2 4.2Å; V326-L341 HydrophobicContact CG1-CD2 3.95Å; V326-L341 HydrophobicContact CG2-CD2 3.71Å
327	E	73.8	Confident	68.6	Low	45 Å²	45	82.5 Å²	82.5	21%	0.21	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	134.4	176.9	-68.7	164.5	-160.1	0	0	107.1	Y340 R342 Y422	E327-Y340 HydrophobicContact CB-CD1 4.32Å; E327-Y340 PolarHBondContact N-O 3.4Å; E327-Y340 WeakPolarHBondContact O-CA 3.23Å; E327-Y340 WeakPolarHBondContact O-CB 3.46Å; E327-Y340 PolarHBondContact O-N 3.45Å; E327-R342 IonicContact OE1-CZ 3.62Å; E327-R342 IonicContact OE1-NE 3.37Å; E327-R342 PolarHBondContact OE1-NE 2.89Å; E327-R342 IonicContact OE1-NH2 2.83Å; E327-R342 PolarHBondContact OE1-NH2 2.95Å; E327-R342 IonicContact OE2-NE 3.14Å; E327-Y422 WeakPolarHBondContact OE2-CE1 3.42Å
328	N	64.9	Low	69.8	Low	61 Å²	61	75.6 Å²	75.6	33%	0.326	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	125.8	170.7	-70.4	-20.9	0	0	0	107.8	F330 A338	N328-F330 HydrophobicContact CB-CD2 4.46Å; N328-F330 HydrophobicContact CB-CE2 3.65Å; N328-F330 HydrophobicContact CB-CZ 3.84Å; N328-A338 WeakPolarHBondContact CA-O 3.34Å
329	S	62	Low	71.3	Confident	23 Å²	23	73.6 Å²	73.6	16%	0.161	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.4	172.2	70.3	0	0	0	0	109.4	A338	S329-A338 PolarHBondContact N-O 3.37Å; S329-A338 PolarHBondContact O-N 3.23Å; S329-A338 VanDerWaalsContact O-N 3.09Å; S329-A338 WeakPolarHBondContact OG-CB 3.2Å; S329-A338 PolarHBondContact OG-O 3.49Å
330	F	61.1	Low	73	Confident	109 Å²	109	70.4 Å²	70.4	48%	0.478	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139.2	172.6	-56.1	-90.9	0	0	0	108.4	N328 E337	N328-F330 HydrophobicContact CB-CD2 4.46Å; N328-F330 HydrophobicContact CB-CE2 3.65Å; N328-F330 HydrophobicContact CB-CZ 3.84Å; F330-E337 HydrophobicContact CD1-CG 3.77Å; F330-E337 HydrophobicContact CE1-CG 3.66Å
331	S	61.2	Low	74.6	Confident	19 Å²	19	61.2 Å²	61.2	13%	0.133	30%	0.297	C	S	.	.			trans	-96	122.5	167.2	171.7	0	0	0	0	109.3	N333 I334 H414	S331-N333 PolarHBondContact O-N 3.22Å; S331-N333 VanDerWaalsContact O-N 3.16Å; S331-N333 PolarHBondContact OG-N 2.71Å; S331-I334 VanDerWaalsContact CB-O 3.25Å; S331-I334 WeakPolarHBondContact CB-O 3.37Å; S331-I334 PolarHBondContact O-N 3.44Å; S331-I334 PolarHBondContact OG-N 3.49Å; S331-I334 VanDerWaalsContact OG-N 3.13Å; S331-H414 PolarHBondContact OG-CE1 2.77Å; S331-H414 VanDerWaalsContact OG-CE1 3.25Å
332	E	59.6	Low	76.1	Confident	198 Å²	198	51.4 Å²	51.4	93%	0.925	26%	0.26	S	S	*	.	S	Bend	trans	-59.4	-26.6	176.8	-67.5	-174.9	170.8	0	0	112.7
333	N	67.5	Low	77.3	Confident	148 Å²	148	48 Å²	48	79%	0.791	24%	0.238	S	C	*	.	S	Bend	trans	-105.6	-18.5	-174.4	-66.5	-41.3	0	0	0	114	S331	S331-N333 PolarHBondContact O-N 3.22Å; S331-N333 VanDerWaalsContact O-N 3.16Å; S331-N333 PolarHBondContact OG-N 2.71Å
334	I	70.9	Confident	78.1	Confident	30 Å²	30	49.2 Å²	49.2	15%	0.154	25%	0.246	C	C	.	.	S	Bend	trans	-129.8	122.1	-178.7	-46.6	-177.8	0	0	0	108.1	S331 Y336 H414	S331-I334 VanDerWaalsContact CB-O 3.25Å; S331-I334 WeakPolarHBondContact CB-O 3.37Å; S331-I334 PolarHBondContact O-N 3.44Å; S331-I334 PolarHBondContact OG-N 3.49Å; S331-I334 VanDerWaalsContact OG-N 3.13Å; I334-Y336 HydrophobicContact CB-CD1 3.85Å; I334-Y336 HydrophobicContact CB-CE1 3.88Å; I334-Y336 HydrophobicContact CD1-CE1 4.31Å; I334-Y336 HydrophobicContact CG2-CD1 3.47Å; I334-Y336 VanDerWaalsContact CG2-CD1 3.47Å; I334-Y336 HydrophobicContact CG2-CE1 3.89Å; I334-Y336 PolarHBondContact O-N 2.95Å; I334-H414 HydrophobicContact CD1-CB 4.33Å
335	P	75.1	Confident	78.5	Confident	90 Å²	90	53.1 Å²	53.1	58%	0.584	29%	0.286	S	S	*	.			trans	-78.2	34.5	-165.1	34.1	-39.4	0	0	0	114.1	F396	P335-F396 HydrophobicContact CG-CD2 4.19Å; P335-F396 HydrophobicContact CG-CE2 4.26Å; P335-F396 WeakPolarHBondContact O-CE2 3.4Å
336	Y	86.4	Confident	79	Confident	4 Å²	4	51.1 Å²	51.1	2%	0.016	28%	0.281	C	S	.	.			trans	-101.2	155.6	178.2	77.3	-109.1	0	0	0	111.2	I334 V384 N385 D411 H414 A415	I334-Y336 HydrophobicContact CB-CD1 3.85Å; I334-Y336 HydrophobicContact CB-CE1 3.88Å; I334-Y336 HydrophobicContact CD1-CE1 4.31Å; I334-Y336 HydrophobicContact CG2-CD1 3.47Å; I334-Y336 VanDerWaalsContact CG2-CD1 3.47Å; I334-Y336 HydrophobicContact CG2-CE1 3.89Å; I334-Y336 PolarHBondContact O-N 2.95Å; Y336-V384 HydrophobicContact CD2-CG1 4.41Å; Y336-N385 WeakPolarHBondContact CB-O 3.36Å; Y336-D411 HydrophobicContact CD1-CB 4.08Å; Y336-D411 HydrophobicContact CE1-CB 4.36Å; Y336-H414 HydrophobicContact CE1-CB 4.47Å; Y336-H414 AromaticContact CE1-ND1 3.62Å; Y336-H414 AromaticContact CZ-ND1 3.6Å; Y336-H414 PolarHBondContact OH-ND1 3.42Å; Y336-A415 HydrophobicContact CE2-CB 3.67Å; Y336-A415 WeakPolarHBondContact OH-CA 2.93Å; Y336-A415 WeakPolarHBondContact OH-CB 3.23Å; Y336-A415 PolarHBondContact OH-N 3.46Å
337	E	89	Confident	79.8	Confident	15 Å²	15	56 Å²	56	7%	0.07	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	152.6	170.8	-73.4	177.5	-159.3	0	0	111.7	S257 F330 N385 F392	S257-E337 WeakPolarHBondContact CB-OE2 3.48Å; S257-E337 PolarHBondContact N-OE2 3.09Å; S257-E337 VanDerWaalsContact OG-CB 3.3Å; S257-E337 WeakPolarHBondContact OG-CB 3.22Å; S257-E337 PolarHBondContact OG-OE2 3.42Å; F330-E337 HydrophobicContact CD1-CG 3.77Å; F330-E337 HydrophobicContact CE1-CG 3.66Å; E337-N385 WeakPolarHBondContact O-CB 3.39Å; E337-N385 PolarHBondContact O-N 3.16Å; E337-F392 HydrophobicContact CB-CE1 3.9Å; E337-F392 HydrophobicContact CB-CZ 3.88Å; E337-F392 HydrophobicContact CG-CE1 3.66Å; E337-F392 HydrophobicContact CG-CZ 4.13Å
338	A	91.3	Very high	80.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	143.6	164.2	0	0	0	0	0	111.2	N328 S329 L382 R383 V384	N328-A338 WeakPolarHBondContact CA-O 3.34Å; S329-A338 PolarHBondContact N-O 3.37Å; S329-A338 PolarHBondContact O-N 3.23Å; S329-A338 VanDerWaalsContact O-N 3.09Å; S329-A338 WeakPolarHBondContact OG-CB 3.2Å; S329-A338 PolarHBondContact OG-O 3.49Å; A338-L382 HydrophobicContact CB-CD1 3.8Å; A338-L382 HydrophobicContact CB-CG 4.21Å; A338-R383 CarbonylContact C-O 3.58Å; A338-R383 WeakPolarHBondContact CA-O 2.94Å; A338-R383 WeakPolarHBondContact CB-O 3.41Å; A338-V384 HydrophobicContact CB-CB 4.37Å; A338-V384 HydrophobicContact CB-CG1 4.5Å; A338-V384 HydrophobicContact CB-CG2 4.14Å
339	I	91.1	Very high	82.2	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	115.9	178	-55.8	167.8	0	0	0	108	P289 V326 L341 L364 T365 R383	P289-I339 HydrophobicContact CG-CG2 4.13Å; V326-I339 HydrophobicContact CG1-CG2 4.11Å; I339-L341 HydrophobicContact CG2-CD2 4.11Å; I339-L364 WeakPolarHBondContact CD1-O 3.35Å; I339-T365 HydrophobicContact CD1-CG2 4.16Å; I339-T365 HydrophobicContact CG1-CG2 4.35Å; I339-R383 HydrophobicContact CB-CB 4.22Å; I339-R383 PolarHBondContact N-O 3.31Å; I339-R383 PolarHBondContact O-N 3.48Å
340	Y	93	Very high	83.9	Confident	3 Å²	3	56.3 Å²	56.3	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120	179.9	178.3	-129.8	0	0	0	111.1	V326 E327 R342 Y349 L351 A380 L382 V419 D423 I426	V326-Y340 WeakPolarHBondContact CA-O 3.4Å; E327-Y340 HydrophobicContact CB-CD1 4.32Å; E327-Y340 PolarHBondContact N-O 3.4Å; E327-Y340 WeakPolarHBondContact O-CA 3.23Å; E327-Y340 WeakPolarHBondContact O-CB 3.46Å; E327-Y340 PolarHBondContact O-N 3.45Å; Y340-R342 HydrophobicContact CE1-CB 4.03Å; Y340-R342 HydrophobicContact CE1-CG 4.41Å; Y340-Y349 VanDerWaalsContact OH-CE2 3.31Å; Y340-Y349 WeakPolarHBondContact OH-CE2 3.18Å; Y340-Y349 PolarHBondContact OH-OH 3.12Å; Y340-L351 HydrophobicContact CE2-CD1 4.37Å; Y340-A380 HydrophobicContact CE2-CB 3.82Å; Y340-L382 HydrophobicContact CD2-CD1 4.23Å; Y340-L382 HydrophobicContact CG-CD1 4.44Å; Y340-V419 HydrophobicContact CD1-CG2 3.99Å; Y340-V419 HydrophobicContact CD2-CG2 3.66Å; Y340-V419 HydrophobicContact CE1-CG2 4.04Å; Y340-V419 HydrophobicContact CE2-CG2 3.69Å; Y340-V419 HydrophobicContact CG-CG2 3.81Å; Y340-D423 HydrophobicContact CE1-CB 4.23Å; Y340-D423 WeakPolarHBondContact CE1-OD2 3.44Å; Y340-D423 PolarHBondContact OH-OD2 2.85Å; Y340-I426 HydrophobicContact CE2-CD1 4.04Å
341	L	92.6	Very high	85.7	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.7	174.7	-49.9	179.5	0	0	0	109.1	P289 R325 V326 I339 P371 T375 A380 V381	P289-L341 HydrophobicContact CB-CD1 4.32Å; P289-L341 HydrophobicContact CB-CD2 3.36Å; P289-L341 HydrophobicContact CB-CG 4.46Å; P289-L341 HydrophobicContact CG-CD2 4.18Å; R325-L341 WeakPolarHBondContact O-CA 3.48Å; V326-L341 HydrophobicContact CB-CD2 4.2Å; V326-L341 HydrophobicContact CG1-CD2 3.95Å; V326-L341 HydrophobicContact CG2-CD2 3.71Å; I339-L341 HydrophobicContact CG2-CD2 4.11Å; L341-P371 HydrophobicContact CD1-CB 3.61Å; L341-T375 HydrophobicContact CB-CG2 4.29Å; L341-A380 CarbonylContact O-C 3.5Å; L341-A380 VanDerWaalsContact O-CA 3.25Å; L341-A380 WeakPolarHBondContact O-CA 3.45Å; L341-V381 HydrophobicContact CB-CB 4.26Å; L341-V381 HydrophobicContact CD1-CB 4.45Å; L341-V381 PolarHBondContact N-O 2.82Å; L341-V381 PolarHBondContact O-N 3Å
342	R	92.5	Very high	87.4	Confident	22 Å²	22	50.2 Å²	50.2	8%	0.083	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.8	176.1	65.1	-178	176	98.6	-10	112.8	S324 R325 E327 Y340 Y349 T375 R425	S324-R342 VanDerWaalsContact CA-O 3.27Å; S324-R342 WeakPolarHBondContact CA-O 3.21Å; R325-R342 HydrophobicContact CB-CG 3.91Å; R325-R342 PolarHBondContact N-O 3.23Å; R325-R342 VanDerWaalsContact NH1-NH2 3.14Å; R325-R342 PolarHBondContact O-N 2.91Å; E327-R342 IonicContact OE1-CZ 3.62Å; E327-R342 IonicContact OE1-NE 3.37Å; E327-R342 PolarHBondContact OE1-NE 2.89Å; E327-R342 IonicContact OE1-NH2 2.83Å; E327-R342 PolarHBondContact OE1-NH2 2.95Å; E327-R342 IonicContact OE2-NE 3.14Å; Y340-R342 HydrophobicContact CE1-CB 4.03Å; Y340-R342 HydrophobicContact CE1-CG 4.41Å; R342-Y349 HydrophobicContact CB-CE2 4.49Å; R342-T375 VanDerWaalsContact C-CG2 3.49Å; R342-R425 VanDerWaalsContact NH1-NH1 3.18Å
343	P	92.8	Very high	89.3	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.032	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	152.1	177.1	30.7	-36.2	0	0	0	111.5	K346 Y349 T375	P343-K346 HydrophobicContact CG-CB 4.47Å; P343-Y349 HydrophobicContact CG-CD1 3.44Å; P343-Y349 VanDerWaalsContact CG-CD1 3.44Å; P343-Y349 HydrophobicContact CG-CD2 4.33Å; P343-Y349 HydrophobicContact CG-CE1 3.9Å; P343-Y349 HydrophobicContact CG-CG 3.64Å; P343-T375 HydrophobicContact CB-CG2 4.3Å
344	I	87.7	Confident	90.8	Very high	78 Å²	78	34.5 Å²	34.5	40%	0.4	20%	0.196	S	C	.	.	S	Bend	trans	-91.4	137.1	179.1	-63.3	175.2	0	0	0	110.1	P322 R325 K346	P322-I344 HydrophobicContact CB-CD1 4.08Å; P322-I344 HydrophobicContact CG-CD1 4.1Å; P322-I344 VanDerWaalsContact O-CD1 3.28Å; P322-I344 WeakPolarHBondContact O-CD1 3.32Å; R325-I344 HydrophobicContact CG-CG1 4.31Å; I344-K346 PolarHBondContact O-N 3.24Å
345	G	86.1	Confident	92	Very high	81 Å²	81	33.1 Å²	33.1	84%	0.835	19%	0.189	S	C	*	.	S	Bend	trans	75.7	19.2	171.5	0	0	0	0	0	115.4
346	K	87.3	Confident	93.1	Very high	98 Å²	98	29 Å²	29	43%	0.426	16%	0.162	S	C	.	.			trans	-111.9	134	173.5	-68.5	-157.7	177.7	-168.9	0	111.5	P343 I344 Y349	P343-K346 HydrophobicContact CG-CB 4.47Å; I344-K346 PolarHBondContact O-N 3.24Å; K346-Y349 HydrophobicContact CB-CD1 3.98Å
347	D	90.1	Very high	93.5	Very high	146 Å²	146	29.7 Å²	29.7	78%	0.781	17%	0.17	S	C	*	.	S	Bend	trans	-79.8	-29.8	178.5	-61.7	-34.8	0	0	0	112.8	R425	D347-R425 WeakPolarHBondContact O-CB 3.31Å; D347-R425 VanDerWaalsContact O-CG 3.3Å; D347-R425 WeakPolarHBondContact O-CG 3.07Å
348	Q	94.3	Very high	93.5	Very high	121 Å²	121	30.3 Å²	30.3	57%	0.565	18%	0.18	S	C	*	.	S	Bend	trans	-142	149	170.1	-72.1	-169.3	-2.7	0	0	111.6	R425	Q348-R425 CarbonylContact C-O 3.51Å; Q348-R425 WeakPolarHBondContact CA-O 3.28Å
349	Y	95.6	Very high	93.5	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	153.8	177.8	38.7	-99.8	0	0	0	113	Y340 R342 P343 K346 G378 A380 D423 R425 I426 D427	Y340-Y349 VanDerWaalsContact OH-CE2 3.31Å; Y340-Y349 WeakPolarHBondContact OH-CE2 3.18Å; Y340-Y349 PolarHBondContact OH-OH 3.12Å; R342-Y349 HydrophobicContact CB-CE2 4.49Å; P343-Y349 HydrophobicContact CG-CD1 3.44Å; P343-Y349 VanDerWaalsContact CG-CD1 3.44Å; P343-Y349 HydrophobicContact CG-CD2 4.33Å; P343-Y349 HydrophobicContact CG-CE1 3.9Å; P343-Y349 HydrophobicContact CG-CG 3.64Å; K346-Y349 HydrophobicContact CB-CD1 3.98Å; Y349-G378 WeakPolarHBondContact CB-O 3.28Å; Y349-A380 HydrophobicContact CD2-CB 3.41Å; Y349-A380 VanDerWaalsContact CD2-CB 3.41Å; Y349-A380 HydrophobicContact CE2-CB 3.52Å; Y349-A380 HydrophobicContact CG-CB 4.44Å; Y349-D423 VanDerWaalsContact OH-CG 3.29Å; Y349-D423 PolarHBondContact OH-OD1 3.21Å; Y349-D423 PolarHBondContact OH-OD2 3.41Å; Y349-R425 HydrophobicContact CD1-CB 4.33Å; Y349-R425 HydrophobicContact CE1-CB 3.66Å; Y349-R425 HydrophobicContact CE2-CB 4.31Å; Y349-R425 PolarHBondContact N-O 3.08Å; Y349-R425 PolarHBondContact OH-NE 2.81Å; Y349-R425 VanDerWaalsContact OH-NE 3.08Å; Y349-I426 HydrophobicContact CD2-CG1 4.13Å; Y349-I426 HydrophobicContact CE2-CG1 3.63Å; Y349-D427 PolarHBondContact O-N 3.49Å
350	P	97.1	Very high	93.6	Very high	13 Å²	13	30.5 Å²	30.5	8%	0.084	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	159.8	167.7	30.9	-36.6	0	0	0	112	F379 A380 R430 L581	P350-F379 HydrophobicContact CB-CD1 4.04Å; P350-F379 HydrophobicContact CB-CE1 4.43Å; P350-F379 HydrophobicContact CG-CB 4.45Å; P350-F379 HydrophobicContact CG-CD1 3.28Å; P350-F379 HydrophobicContact CG-CE1 3.65Å; P350-F379 HydrophobicContact CG-CG 4.08Å; P350-A380 PolarHBondContact O-N 3.46Å; P350-R430 CarbonylContact C-O 3.57Å; P350-R430 VanDerWaalsContact CA-O 3.23Å; P350-R430 WeakPolarHBondContact CA-O 3.38Å; P350-R430 HydrophobicContact CB-CB 3.91Å; P350-R430 VanDerWaalsContact CB-O 3.31Å; P350-R430 WeakPolarHBondContact CB-O 3.23Å; P350-L581 HydrophobicContact CB-CD1 3.64Å; P350-L581 HydrophobicContact CG-CD1 4.24Å
351	L	97.7	Very high	93.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	138.3	174.5	176.3	66.5	0	0	0	111	Y340 A380 L382 V419 I426 R430 I431 A432	Y340-L351 HydrophobicContact CE2-CD1 4.37Å; L351-A380 CarbonylContact C-O 3.56Å; L351-A380 WeakPolarHBondContact CA-O 3.37Å; L351-A380 HydrophobicContact CD1-CB 4.04Å; L351-L382 HydrophobicContact CD1-CB 3.95Å; L351-V419 HydrophobicContact CD2-CG1 3.78Å; L351-I426 HydrophobicContact CB-CG2 3.78Å; L351-I426 HydrophobicContact CD1-CD1 4.38Å; L351-I426 HydrophobicContact CD2-CD1 4.38Å; L351-I426 HydrophobicContact CD2-CG2 4.34Å; L351-R430 PolarHBondContact N-O 3.06Å; L351-I431 HydrophobicContact CB-CG1 4.37Å; L351-I431 HydrophobicContact CB-CG2 4.36Å; L351-I431 HydrophobicContact CD2-CG2 4.22Å; L351-I431 HydrophobicContact CG-CG2 4.37Å; L351-I431 CarbonylContact O-C 3.53Å; L351-I431 WeakPolarHBondContact O-CA 3.37Å; L351-A432 PolarHBondContact O-N 3.49Å
352	I	98.6	Very high	93.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	109.5	164.3	-58.2	173.4	0	0	0	107.5	W354 F374 F379 A380 V381 L382 A432 F434 I577	I352-W354 HydrophobicContact CG2-CE3 4.24Å; I352-F374 HydrophobicContact CD1-CB 3.96Å; I352-F374 HydrophobicContact CD1-CD1 3.28Å; I352-F374 HydrophobicContact CD1-CD2 4.33Å; I352-F374 HydrophobicContact CD1-CE1 3.75Å; I352-F374 HydrophobicContact CD1-CG 3.62Å; I352-F374 HydrophobicContact CD1-CZ 4.48Å; I352-F379 HydrophobicContact CD1-CB 3.85Å; I352-F379 HydrophobicContact CD1-CD1 4.17Å; I352-F379 HydrophobicContact CD1-CG 4.05Å; I352-F379 HydrophobicContact CG1-CB 4.24Å; I352-F379 HydrophobicContact CG1-CD1 4.37Å; I352-A380 PolarHBondContact N-O 2.74Å; I352-V381 HydrophobicContact CB-CG2 4.44Å; I352-V381 WeakPolarHBondContact O-CA 3.12Å; I352-L382 PolarHBondContact O-N 3.42Å; I352-A432 CarbonylContact C-O 3.52Å; I352-A432 WeakPolarHBondContact CA-O 3.47Å; I352-A432 HydrophobicContact CG1-CB 4.42Å; I352-F434 HydrophobicContact CG2-CB 3.8Å; I352-I577 HydrophobicContact CD1-CD1 4.11Å; I352-I577 HydrophobicContact CD1-CG2 4.26Å; I352-I577 HydrophobicContact CG1-CD1 4.5Å; I352-I577 HydrophobicContact CG1-CG2 4.36Å
353	L	98.5	Very high	93.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	123.8	169.3	175.8	64.4	0	0	0	108.8	L382 V384 C416 A432 L433 F434 L446 F454	L353-L382 HydrophobicContact CD1-CB 4.41Å; L353-L382 HydrophobicContact CD1-CD2 3.79Å; L353-L382 HydrophobicContact CD1-CG 4.38Å; L353-V384 HydrophobicContact CD1-CG2 3.67Å; L353-C416 HydrophobicContact CD1-CB 4.31Å; L353-C416 HydrophobicContact CD2-CB 3.82Å; L353-A432 PolarHBondContact N-O 3.11Å; L353-L433 HydrophobicContact CB-CD2 3.96Å; L353-L433 HydrophobicContact CD2-CD2 3.78Å; L353-L433 HydrophobicContact CG-CD2 3.98Å; L353-L433 WeakPolarHBondContact O-CA 3.44Å; L353-F434 PolarHBondContact O-N 2.74Å; L353-F434 VanDerWaalsContact O-N 3.1Å; L353-L446 HydrophobicContact CD2-CD1 3.97Å; L353-F454 HydrophobicContact CD2-CE1 4.02Å; L353-F454 HydrophobicContact CD2-CZ 4.29Å
354	W	98.2	Very high	93.1	Very high	16 Å²	16	34.6 Å²	34.6	6%	0.061	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	93.9	-167.3	-161.4	-19.9	0	0	0	110.7	I352 Y363 L370 P371 F374 V381 L382 R383 V384 F434	I352-W354 HydrophobicContact CG2-CE3 4.24Å; W354-Y363 AromaticContact CD1-CZ 3.85Å; W354-Y363 PolarHBondContact NE1-OH 3.31Å; W354-Y363 WeakPolarHBondContact O-CE2 3.24Å; W354-L370 HydrophobicContact CH2-CB 3.64Å; W354-L370 HydrophobicContact CH2-CD1 4.23Å; W354-L370 HydrophobicContact CZ3-CB 4.39Å; W354-P371 HydrophobicContact CE3-CG 4.33Å; W354-P371 HydrophobicContact CH2-CG 4.23Å; W354-P371 HydrophobicContact CZ3-CG 3.92Å; W354-F374 HydrophobicContact CH2-CD2 4.43Å; W354-F374 HydrophobicContact CH2-CE2 4.37Å; W354-F374 AromaticContact CZ3-CD2 3.94Å; W354-F374 HydrophobicContact CZ3-CD2 3.94Å; W354-F374 HydrophobicContact CZ3-CE2 4.22Å; W354-V381 HydrophobicContact CB-CG1 4.49Å; W354-V381 HydrophobicContact CE3-CG1 3.77Å; W354-L382 PolarHBondContact N-O 3.12Å; W354-R383 HydrophobicContact CB-CG 4.39Å; W354-R383 WeakPolarHBondContact O-CA 3.41Å; W354-V384 PolarHBondContact O-N 2.86Å; W354-F434 WeakPolarHBondContact CA-O 3.27Å; W354-F434 HydrophobicContact CD2-CB 3.98Å; W354-F434 AromaticContact CD2-CD1 3.94Å; W354-F434 HydrophobicContact CD2-CD1 3.94Å; W354-F434 HydrophobicContact CD2-CG 4.1Å; W354-F434 AromaticContact CE2-CD1 3.21Å; W354-F434 AromaticContact CE2-CE1 3.73Å; W354-F434 AromaticContact CE2-CG 3.82Å; W354-F434 HydrophobicContact CE3-CB 4.3Å; W354-F434 HydrophobicContact CE3-CG 4.4Å; W354-F434 HydrophobicContact CG-CB 4.15Å; W354-F434 HydrophobicContact CG-CD1 4.43Å; W354-F434 AromaticContact CH2-CD1 3.97Å; W354-F434 HydrophobicContact CH2-CD1 3.97Å; W354-F434 HydrophobicContact CH2-CD2 4.35Å; W354-F434 AromaticContact CH2-CE1 4Å; W354-F434 HydrophobicContact CH2-CE1 4Å; W354-F434 HydrophobicContact CH2-CE2 4.35Å; W354-F434 HydrophobicContact CH2-CG 4.17Å; W354-F434 HydrophobicContact CH2-CZ 4.19Å; W354-F434 AromaticContact CZ2-CD1 3.26Å; W354-F434 HydrophobicContact CZ2-CD1 3.26Å; W354-F434 HydrophobicContact CZ2-CD2 4.43Å; W354-F434 AromaticContact CZ2-CE1 3.29Å; W354-F434 HydrophobicContact CZ2-CE1 3.29Å; W354-F434 HydrophobicContact CZ2-CE2 4.42Å; W354-F434 AromaticContact CZ2-CG 3.89Å; W354-F434 HydrophobicContact CZ2-CG 3.89Å; W354-F434 AromaticContact CZ2-CZ 3.91Å; W354-F434 HydrophobicContact CZ2-CZ 3.91Å; W354-F434 HydrophobicContact CZ3-CG 4.43Å; W354-F434 AromaticContact NE1-CD1 3.32Å; W354-F434 VanDerWaalsContact NE1-CD1 3.32Å; W354-F434 AromaticContact NE1-CE1 3.95Å
355	P	98.2	Very high	93	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	148.6	168.5	29.2	-33.8	0	0	0	112.3	Y363 Y386 F434 G439 L442	P355-Y363 PolarHBondContact O-OH 2.91Å; P355-Y386 HydrophobicContact CB-CD1 4.43Å; P355-Y386 HydrophobicContact CB-CE1 4.1Å; P355-F434 WeakPolarHBondContact CD-O 3.22Å; P355-G439 WeakPolarHBondContact CG-O 3.3Å; P355-L442 HydrophobicContact CB-CB 4.07Å; P355-L442 HydrophobicContact CB-CD1 3.59Å; P355-L442 HydrophobicContact CB-CG 4.48Å; P355-L442 HydrophobicContact CG-CB 3.73Å; P355-L442 HydrophobicContact CG-CD1 4.23Å
356	H	97	Very high	92.9	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.019	16%	0.16	C	C	.	.			trans	-82.3	157.2	176.4	62.3	81	0	0	0	112.6	P359 S361 Y363 V384 Y386 S389 G439	H356-P359 PolarHBondContact CE1-O 3.45Å; H356-S361 PolarHBondContact CE1-O 2.91Å; H356-S361 VanDerWaalsContact CE1-O 3.26Å; H356-S361 PolarHBondContact NE2-O 2.87Å; H356-Y363 VanDerWaalsContact CA-OH 3.28Å; H356-Y363 WeakPolarHBondContact CA-OH 3.36Å; H356-Y363 HydrophobicContact CB-CD1 4.11Å; H356-Y363 HydrophobicContact CB-CD2 3.91Å; H356-Y363 HydrophobicContact CB-CE1 3.78Å; H356-Y363 HydrophobicContact CB-CE2 3.49Å; H356-Y363 VanDerWaalsContact CB-CE2 3.49Å; H356-Y363 HydrophobicContact CB-CG 4.24Å; H356-Y363 VanDerWaalsContact CB-CZ 3.44Å; H356-Y363 AromaticContact CD2-CD2 3.98Å; H356-Y363 PolarHBondContact N-OH 3.44Å; H356-V384 PolarHBondContact CD2-O 2.62Å; H356-Y386 AromaticContact CD2-CE1 3.96Å; H356-Y386 AromaticContact CE1-CE1 3.81Å; H356-Y386 AromaticContact CE1-CE2 3.96Å; H356-Y386 AromaticContact CE1-CZ 3.43Å; H356-Y386 VanDerWaalsContact CE1-CZ 3.43Å; H356-Y386 PolarHBondContact CE1-OH 3.38Å; H356-Y386 AromaticContact ND1-CZ 3.82Å; H356-Y386 PolarHBondContact ND1-OH 2.83Å; H356-Y386 AromaticContact NE2-CE1 3.71Å; H356-Y386 AromaticContact NE2-CZ 3.78Å; H356-Y386 PolarHBondContact O-OH 2.87Å; H356-S389 PolarHBondContact NE2-OG 3.4Å; H356-G439 VanDerWaalsContact O-CA 3.26Å; H356-G439 WeakPolarHBondContact O-CA 3.3Å; H356-G439 PolarHBondContact O-N 3.37Å; H356-G439 VanDerWaalsContact O-N 3.15Å
357	G	95	Very high	92.9	Very high	19 Å²	19	26 Å²	26	20%	0.196	15%	0.149	C	C	.	.	S	Bend	trans	-77.3	175.2	168.2	0	0	0	0	0	113.1	A436	G357-A436 WeakPolarHBondContact CA-O 3.48Å
358	G	88.1	Confident	92.9	Very high	27 Å²	27	20.3 Å²	20.3	28%	0.278	12%	0.122	S	C	.	.	S	Bend	trans	49.6	93.4	-177.1	0	0	0	0	0	110.9	H360 S361	G358-H360 CarbonylContact O-C 3.49Å; G358-H360 WeakPolarHBondContact O-CA 3.26Å; G358-H360 PolarHBondContact O-N 2.96Å; G358-S361 WeakPolarHBondContact O-CB 3.49Å; G358-S361 PolarHBondContact O-N 3.23Å; G358-S361 VanDerWaalsContact O-N 3.09Å
359	P	92.9	Very high	92.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-50.8	-30.7	-155.2	12.2	-22.1	0	0	0	113.5	H356 S361 Y386 G388 L400 H438 E482	H356-P359 PolarHBondContact CE1-O 3.45Å; P359-S361 PolarHBondContact O-N 3.34Å; P359-Y386 WeakPolarHBondContact CA-OH 2.92Å; P359-Y386 HydrophobicContact CB-CE2 4.39Å; P359-Y386 WeakPolarHBondContact O-CE2 3.37Å; P359-G388 CarbonylContact O-C 3.48Å; P359-L400 HydrophobicContact CB-CD2 3.37Å; P359-L400 HydrophobicContact CB-CG 4.49Å; P359-H438 WeakPolarHBondContact CB-ND1 3.35Å; P359-H438 WeakPolarHBondContact CD-ND1 3.47Å; P359-H438 VanDerWaalsContact CG-ND1 3.35Å; P359-H438 WeakPolarHBondContact CG-ND1 3.3Å; P359-E482 HydrophobicContact CG-CG 3.81Å
360	H	93	Very high	92.6	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.019	13%	0.128	C	C	.	.	S	Bend	trans	-92.8	82.7	168	-41.9	-60.5	0	0	0	112	P204 H205 G358 G388 F390 L397 E482	P204-H360 VanDerWaalsContact C-CD2 3.46Å; P204-H360 WeakPolarHBondContact CA-NE2 3.42Å; P204-H360 WeakPolarHBondContact CB-NE2 3.36Å; H205-H360 PolarHBondContact N-CD2 2.89Å; H205-H360 VanDerWaalsContact O-CB 3.26Å; H205-H360 WeakPolarHBondContact O-CB 3.43Å; H205-H360 PolarHBondContact O-CD2 2.78Å; G358-H360 CarbonylContact O-C 3.49Å; G358-H360 WeakPolarHBondContact O-CA 3.26Å; G358-H360 PolarHBondContact O-N 2.96Å; H360-G388 WeakPolarHBondContact CA-O 3.42Å; H360-G388 PolarHBondContact ND1-O 3.13Å; H360-F390 HydrophobicContact CB-CD1 4.32Å; H360-F390 HydrophobicContact CB-CE1 3.63Å; H360-F390 HydrophobicContact CB-CZ 4.05Å; H360-F390 VanDerWaalsContact O-CE2 3.23Å; H360-F390 WeakPolarHBondContact O-CE2 3.18Å; H360-F390 WeakPolarHBondContact O-CZ 3.33Å; H360-L397 HydrophobicContact CB-CD1 3.76Å; H360-L397 WeakPolarHBondContact ND1-CD1 3.3Å; H360-E482 IonicContact CD2-OE1 3.39Å; H360-E482 IonicContact NE2-OE1 3.48Å; H360-E482 PolarHBondContact NE2-OE1 3.1Å; H360-E482 IonicContact NE2-OE2 2.66Å; H360-E482 PolarHBondContact NE2-OE2 3.43Å
361	S	91	Very high	92.4	Very high	45 Å²	45	20.6 Å²	20.6	32%	0.315	13%	0.126	S	C	.	.			trans	-147.9	-175	170	-178.6	0	0	0	0	107.2	H356 G358 P359 S389 F390	H356-S361 PolarHBondContact CE1-O 2.91Å; H356-S361 VanDerWaalsContact CE1-O 3.26Å; H356-S361 PolarHBondContact NE2-O 2.87Å; G358-S361 WeakPolarHBondContact O-CB 3.49Å; G358-S361 PolarHBondContact O-N 3.23Å; G358-S361 VanDerWaalsContact O-N 3.09Å; P359-S361 PolarHBondContact O-N 3.34Å; S361-S389 CarbonylContact O-C 3.52Å; S361-S389 WeakPolarHBondContact O-CA 3.42Å; S361-S389 WeakPolarHBondContact O-CB 3.36Å; S361-F390 PolarHBondContact O-N 3.49Å
362	A	90.3	Very high	92.2	Very high	14 Å²	14	21 Å²	21	12%	0.116	13%	0.129	C	C	.	.			trans	-147	145.5	167.8	0	0	0	0	0	110.2	V254 L364 N385 F390	V254-A362 HydrophobicContact CG1-CB 4.06Å; A362-L364 HydrophobicContact CB-CD2 4.45Å; A362-N385 WeakPolarHBondContact CA-OD1 3.31Å; A362-F390 HydrophobicContact CB-CB 4.2Å
363	Y	91	Very high	91.9	Very high	29 Å²	29	23.8 Å²	23.8	11%	0.114	14%	0.144	C	C	.	.			trans	-75	132	155.5	-71.2	-46.8	0	0	0	110.5	W354 P355 H356 R383 N385	W354-Y363 AromaticContact CD1-CZ 3.85Å; W354-Y363 PolarHBondContact NE1-OH 3.31Å; W354-Y363 WeakPolarHBondContact O-CE2 3.24Å; P355-Y363 PolarHBondContact O-OH 2.91Å; H356-Y363 VanDerWaalsContact CA-OH 3.28Å; H356-Y363 WeakPolarHBondContact CA-OH 3.36Å; H356-Y363 HydrophobicContact CB-CD1 4.11Å; H356-Y363 HydrophobicContact CB-CD2 3.91Å; H356-Y363 HydrophobicContact CB-CE1 3.78Å; H356-Y363 HydrophobicContact CB-CE2 3.49Å; H356-Y363 VanDerWaalsContact CB-CE2 3.49Å; H356-Y363 HydrophobicContact CB-CG 4.24Å; H356-Y363 VanDerWaalsContact CB-CZ 3.44Å; H356-Y363 AromaticContact CD2-CD2 3.98Å; H356-Y363 PolarHBondContact N-OH 3.44Å; Y363-R383 VanDerWaalsContact CD1-NE 3.31Å; Y363-R383 HydrophobicContact CD2-CB 3.48Å; Y363-R383 VanDerWaalsContact CD2-CB 3.48Å; Y363-R383 HydrophobicContact CD2-CG 4.15Å; Y363-R383 HydrophobicContact CE2-CB 3.97Å; Y363-R383 HydrophobicContact CE2-CG 4.27Å; Y363-R383 HydrophobicContact CG-CB 3.89Å; Y363-R383 HydrophobicContact CG-CG 4.41Å; Y363-N385 PolarHBondContact N-OD1 2.91Å; Y363-N385 PolarHBondContact O-ND2 2.86Å
364	L	88.6	Confident	91.8	Very high	29 Å²	29	23.8 Å²	23.8	15%	0.152	14%	0.144	C	C	.	.			trans	-104.6	154.9	-179.6	-53.7	167	0	0	0	109.6	V254 S257 M259 I339 A362 S366 R383	V254-L364 HydrophobicContact CB-CD2 4.45Å; V254-L364 HydrophobicContact CG1-CD2 3.76Å; V254-L364 HydrophobicContact CG2-CD2 4.05Å; S257-L364 CarbonylContact O-C 3.49Å; S257-L364 WeakPolarHBondContact O-CA 3.38Å; M259-L364 HydrophobicContact CB-CD1 4.24Å; M259-L364 HydrophobicContact CE-CD1 3.4Å; I339-L364 WeakPolarHBondContact CD1-O 3.35Å; A362-L364 HydrophobicContact CB-CD2 4.45Å; L364-S366 WeakPolarHBondContact CB-OG 3.12Å; L364-S366 PolarHBondContact O-N 2.91Å; L364-R383 PolarHBondContact O-NH1 3.09Å
365	T	85	Confident	91.6	Very high	4 Å²	4	23 Å²	23	3%	0.025	14%	0.142	C	C	.	.	S	Bend	trans	-65.3	18.7	163.8	55	0	0	0	0	111.5	S257 T258 S271 S288 P289 I339	S257-T365 WeakPolarHBondContact O-CG2 3.31Å; S257-T365 PolarHBondContact O-N 3Å; S257-T365 PolarHBondContact O-OG1 3.35Å; T258-T365 PolarHBondContact OG1-OG1 2.59Å; T258-T365 VanDerWaalsContact OG1-OG1 3.1Å; S271-T365 VanDerWaalsContact OG-C 3.24Å; S271-T365 PolarHBondContact OG-OG1 3.25Å; S288-T365 CarbonylContact C-O 3.56Å; S288-T365 WeakPolarHBondContact CA-O 3.4Å; P289-T365 WeakPolarHBondContact CD-O 3.48Å; I339-T365 HydrophobicContact CD1-CG2 4.16Å; I339-T365 HydrophobicContact CG1-CG2 4.35Å
366	S	83.8	Confident	91.3	Very high	28 Å²	28	26.2 Å²	26.2	20%	0.196	16%	0.164	C	C	.	.	S	Bend	trans	-79.1	155.2	170.7	-52.5	0	0	0	0	110.6	S271 S287 L364 A368	S271-S366 WeakPolarHBondContact CB-OG 3.31Å; S271-S366 PolarHBondContact OG-N 2.82Å; S271-S366 VanDerWaalsContact OG-N 3.15Å; S271-S366 PolarHBondContact OG-OG 2.86Å; S271-S366 VanDerWaalsContact OG-OG 3.09Å; S287-S366 WeakPolarHBondContact OG-CA 3.17Å; L364-S366 WeakPolarHBondContact CB-OG 3.12Å; L364-S366 PolarHBondContact O-N 2.91Å; S366-A368 PolarHBondContact O-N 3.15Å
367	F	86.4	Confident	91.1	Very high	45 Å²	45	29.9 Å²	29.9	20%	0.197	18%	0.183	C	C	.	.			trans	-59.7	132.7	169.7	-179.3	-95.3	0	0	0	110.9	S287 S288 S291 P292 F323 L369 A372	S287-F367 PolarHBondContact OG-N 2.81Å; S288-F367 WeakPolarHBondContact O-CA 3.5Å; S288-F367 WeakPolarHBondContact O-CB 3.19Å; S288-F367 PolarHBondContact O-N 2.87Å; S291-F367 WeakPolarHBondContact O-CB 3.35Å; P292-F367 HydrophobicContact CB-CD2 4.42Å; P292-F367 HydrophobicContact CB-CE2 4.5Å; P292-F367 HydrophobicContact CB-CG 4.42Å; P292-F367 HydrophobicContact CG-CD2 4.17Å; P292-F367 HydrophobicContact CG-CE2 3.93Å; P292-F367 HydrophobicContact CG-CZ 4.22Å; F323-F367 HydrophobicContact CE1-CE2 4.18Å; F323-F367 HydrophobicContact CZ-CD2 4.38Å; F323-F367 AromaticContact CZ-CE2 3.82Å; F323-F367 HydrophobicContact CZ-CE2 3.82Å; F367-L369 HydrophobicContact CE1-CB 4.44Å; F367-A372 HydrophobicContact CD2-CB 4.41Å; F367-A372 HydrophobicContact CE2-CB 3.54Å; F367-A372 HydrophobicContact CZ-CB 3.78Å
368	A	90.4	Very high	91.1	Very high	26 Å²	26	29.1 Å²	29.1	22%	0.215	18%	0.175	C	C	.	.			trans	-132.7	128	172.7	0	0	0	0	0	109.5	S366 L370 P371 A372	S366-A368 PolarHBondContact O-N 3.15Å; A368-L370 PolarHBondContact O-N 2.98Å; A368-P371 HydrophobicContact CB-CG 3.91Å; A368-P371 WeakPolarHBondContact O-CD 3.05Å; A368-A372 VanDerWaalsContact O-CB 3.31Å; A368-A372 WeakPolarHBondContact O-CB 3.22Å; A368-A372 PolarHBondContact O-N 3.49Å; A368-A372 VanDerWaalsContact O-N 3.09Å
369	L	90.8	Very high	91.5	Very high	110 Å²	110	28.3 Å²	28.3	58%	0.576	16%	0.164	S	C	*	.	H	α-helix	trans	-59.9	-47.3	-170.1	179.9	62.1	0	0	0	113.1	F367 A372 L373	F367-L369 HydrophobicContact CE1-CB 4.44Å; L369-A372 PolarHBondContact O-N 2.75Å; L369-L373 WeakPolarHBondContact O-CB 3.08Å; L369-L373 PolarHBondContact O-N 3.4Å
370	L	93.7	Very high	91.6	Very high	25 Å²	25	28.3 Å²	28.3	13%	0.131	16%	0.164	C	C	.	.	H	α-helix	trans	-68.3	-50.5	-176.4	-63.7	174.3	0	0	0	113	W354 A368 A372 L373 F374 F569 A570	W354-L370 HydrophobicContact CH2-CB 3.64Å; W354-L370 HydrophobicContact CH2-CD1 4.23Å; W354-L370 HydrophobicContact CZ3-CB 4.39Å; A368-L370 PolarHBondContact O-N 2.98Å; L370-A372 PolarHBondContact O-N 2.95Å; L370-L373 WeakPolarHBondContact O-CB 3.02Å; L370-L373 PolarHBondContact O-N 3.49Å; L370-L373 VanDerWaalsContact O-N 3.13Å; L370-F374 WeakPolarHBondContact O-CD2 3.36Å; L370-F374 PolarHBondContact O-N 3.36Å; L370-F569 HydrophobicContact CD1-CE2 3.58Å; L370-F569 HydrophobicContact CD1-CZ 3.85Å; L370-A570 HydrophobicContact CD2-CB 3.44Å; L370-A570 VanDerWaalsContact CD2-CB 3.44Å
371	P	93	Very high	91.8	Very high	7 Å²	7	28.1 Å²	28.1	5%	0.045	16%	0.163	C	C	.	.	H	α-helix	trans	-53.9	-41.4	172.2	-27.4	35.5	0	0	0	112.5	L341 W354 A368 F374 T375 V381	L341-P371 HydrophobicContact CD1-CB 3.61Å; W354-P371 HydrophobicContact CE3-CG 4.33Å; W354-P371 HydrophobicContact CH2-CG 4.23Å; W354-P371 HydrophobicContact CZ3-CG 3.92Å; A368-P371 HydrophobicContact CB-CG 3.91Å; A368-P371 WeakPolarHBondContact O-CD 3.05Å; P371-F374 PolarHBondContact O-N 2.74Å; P371-T375 PolarHBondContact O-N 3.47Å; P371-T375 PolarHBondContact O-OG1 3.26Å; P371-V381 HydrophobicContact CB-CG1 4.32Å
372	A	91.8	Very high	92.1	Very high	8 Å²	8	26 Å²	26	7%	0.066	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-44.7	176.3	0	0	0	0	0	112.8	F323 F367 A368 L369 L370 T375 S376	F323-A372 HydrophobicContact CD2-CB 4.42Å; F323-A372 HydrophobicContact CE1-CB 4.44Å; F323-A372 HydrophobicContact CE2-CB 3.45Å; F323-A372 VanDerWaalsContact CE2-CB 3.45Å; F323-A372 HydrophobicContact CZ-CB 3.45Å; F323-A372 VanDerWaalsContact CZ-CB 3.45Å; F367-A372 HydrophobicContact CD2-CB 4.41Å; F367-A372 HydrophobicContact CE2-CB 3.54Å; F367-A372 HydrophobicContact CZ-CB 3.78Å; A368-A372 VanDerWaalsContact O-CB 3.31Å; A368-A372 WeakPolarHBondContact O-CB 3.22Å; A368-A372 PolarHBondContact O-N 3.49Å; A368-A372 VanDerWaalsContact O-N 3.09Å; L369-A372 PolarHBondContact O-N 2.75Å; L370-A372 PolarHBondContact O-N 2.95Å; A372-T375 PolarHBondContact O-N 3.05Å; A372-S376 WeakPolarHBondContact O-CB 3.22Å; A372-S376 PolarHBondContact O-N 3.27Å; A372-S376 PolarHBondContact O-OG 2.97Å
373	L	93.2	Very high	92.4	Very high	59 Å²	59	26.2 Å²	26.2	31%	0.309	15%	0.146	S	C	.	.	H	α-helix	trans	-58.6	-53.2	174.8	175.4	63.5	0	0	0	111.2	L369 L370 T375 S376 L377	L369-L373 WeakPolarHBondContact O-CB 3.08Å; L369-L373 PolarHBondContact O-N 3.4Å; L370-L373 WeakPolarHBondContact O-CB 3.02Å; L370-L373 PolarHBondContact O-N 3.49Å; L370-L373 VanDerWaalsContact O-N 3.13Å; L373-T375 VanDerWaalsContact C-N 3.34Å; L373-T375 PolarHBondContact O-N 2.98Å; L373-S376 PolarHBondContact O-N 3.35Å; L373-S376 PolarHBondContact O-OG 3.45Å; L373-L377 HydrophobicContact CD1-CD1 3.92Å; L373-L377 HydrophobicContact CD1-CG 4.43Å; L373-L377 HydrophobicContact CG-CD1 4.13Å; L373-L377 WeakPolarHBondContact O-CG 3.34Å; L373-L377 PolarHBondContact O-N 3.43Å; L373-L377 VanDerWaalsContact O-N 3.13Å
374	F	95.7	Very high	92.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59	-44.4	179.1	-80.6	-73.7	0	0	0	111.8	I352 W354 L370 P371 S376 L377 G378 F379 V381 F434 A573 L574 I577	I352-F374 HydrophobicContact CD1-CB 3.96Å; I352-F374 HydrophobicContact CD1-CD1 3.28Å; I352-F374 HydrophobicContact CD1-CD2 4.33Å; I352-F374 HydrophobicContact CD1-CE1 3.75Å; I352-F374 HydrophobicContact CD1-CG 3.62Å; I352-F374 HydrophobicContact CD1-CZ 4.48Å; W354-F374 HydrophobicContact CH2-CD2 4.43Å; W354-F374 HydrophobicContact CH2-CE2 4.37Å; W354-F374 AromaticContact CZ3-CD2 3.94Å; W354-F374 HydrophobicContact CZ3-CD2 3.94Å; W354-F374 HydrophobicContact CZ3-CE2 4.22Å; L370-F374 WeakPolarHBondContact O-CD2 3.36Å; L370-F374 PolarHBondContact O-N 3.36Å; P371-F374 PolarHBondContact O-N 2.74Å; F374-S376 PolarHBondContact O-N 3.34Å; F374-L377 PolarHBondContact O-N 3.26Å; F374-G378 PolarHBondContact O-N 2.87Å; F374-F379 HydrophobicContact CB-CB 4.34Å; F374-F379 HydrophobicContact CD1-CD2 4.11Å; F374-F379 HydrophobicContact CD1-CG 4.37Å; F374-F379 WeakPolarHBondContact O-CD2 3.44Å; F374-F379 PolarHBondContact O-N 2.83Å; F374-F379 VanDerWaalsContact O-N 3.11Å; F374-V381 HydrophobicContact CB-CG2 3.98Å; F374-F434 HydrophobicContact CE2-CD2 4.39Å; F374-F434 HydrophobicContact CE2-CE2 4.29Å; F374-F434 HydrophobicContact CZ-CD2 4.42Å; F374-F434 HydrophobicContact CZ-CE2 4.43Å; F374-A573 HydrophobicContact CZ-CB 4.35Å; F374-L574 HydrophobicContact CD1-CD1 3.93Å; F374-L574 HydrophobicContact CE1-CB 4.05Å; F374-L574 HydrophobicContact CE1-CD1 3.77Å; F374-L574 HydrophobicContact CZ-CB 4.3Å; F374-I577 HydrophobicContact CE1-CD1 3.95Å; F374-I577 HydrophobicContact CZ-CD1 4.09Å
375	T	93.9	Very high	92.9	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-67.9	-36.3	178.4	-49.9	0	0	0	0	113.1	L341 R342 P343 P371 A372 L373 L377 G378 F379	L341-T375 HydrophobicContact CB-CG2 4.29Å; R342-T375 VanDerWaalsContact C-CG2 3.49Å; P343-T375 HydrophobicContact CB-CG2 4.3Å; P371-T375 PolarHBondContact O-N 3.47Å; P371-T375 PolarHBondContact O-OG1 3.26Å; A372-T375 PolarHBondContact O-N 3.05Å; L373-T375 VanDerWaalsContact C-N 3.34Å; L373-T375 PolarHBondContact O-N 2.98Å; T375-L377 PolarHBondContact O-N 2.89Å; T375-G378 PolarHBondContact O-N 2.63Å; T375-F379 VanDerWaalsContact CA-O 3.23Å; T375-F379 WeakPolarHBondContact CA-O 3.44Å; T375-F379 PolarHBondContact OG1-O 3.11Å
376	S	92.3	Very high	93.4	Very high	67 Å²	67	23.3 Å²	23.3	47%	0.469	13%	0.132	S	C	.	.	H	α-helix	trans	-62.2	-28.2	173.8	78.6	0	0	0	0	113.2	A372 L373 F374 G378	A372-S376 WeakPolarHBondContact O-CB 3.22Å; A372-S376 PolarHBondContact O-N 3.27Å; A372-S376 PolarHBondContact O-OG 2.97Å; L373-S376 PolarHBondContact O-N 3.35Å; L373-S376 PolarHBondContact O-OG 3.45Å; F374-S376 PolarHBondContact O-N 3.34Å; S376-G378 VanDerWaalsContact C-N 3.3Å
377	L	93.6	Very high	93.9	Very high	81 Å²	81	24.8 Å²	24.8	42%	0.424	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-1.9	176.4	-65	170.2	0	0	0	113	L373 F374 T375 F379 L574	L373-L377 HydrophobicContact CD1-CD1 3.92Å; L373-L377 HydrophobicContact CD1-CG 4.43Å; L373-L377 HydrophobicContact CG-CD1 4.13Å; L373-L377 WeakPolarHBondContact O-CG 3.34Å; L373-L377 PolarHBondContact O-N 3.43Å; L373-L377 VanDerWaalsContact O-N 3.13Å; F374-L377 PolarHBondContact O-N 3.26Å; T375-L377 PolarHBondContact O-N 2.89Å; L377-F379 HydrophobicContact CB-CD2 4.07Å; L377-F379 HydrophobicContact CB-CE2 4.05Å; L377-L574 HydrophobicContact CD1-CD1 3.58Å; L377-L574 HydrophobicContact CD1-CD2 3.33Å; L377-L574 HydrophobicContact CD1-CG 4.09Å
378	G	94.3	Very high	94.2	Very high	3 Å²	3	22.6 Å²	22.6	3%	0.031	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.9	22.1	172.3	0	0	0	0	0	115.5	Y349 F374 T375 S376	Y349-G378 WeakPolarHBondContact CB-O 3.28Å; F374-G378 PolarHBondContact O-N 2.87Å; T375-G378 PolarHBondContact O-N 2.63Å; S376-G378 VanDerWaalsContact C-N 3.3Å
379	F	96.3	Very high	94.3	Very high	9 Å²	9	21.4 Å²	21.4	4%	0.039	11%	0.114	C	C	.	.			trans	-93.4	133.3	167.9	-59.1	-93.5	0	0	0	109.4	P350 I352 F374 T375 L377 L574 I577 D578 L581	P350-F379 HydrophobicContact CB-CD1 4.04Å; P350-F379 HydrophobicContact CB-CE1 4.43Å; P350-F379 HydrophobicContact CG-CB 4.45Å; P350-F379 HydrophobicContact CG-CD1 3.28Å; P350-F379 HydrophobicContact CG-CE1 3.65Å; P350-F379 HydrophobicContact CG-CG 4.08Å; I352-F379 HydrophobicContact CD1-CB 3.85Å; I352-F379 HydrophobicContact CD1-CD1 4.17Å; I352-F379 HydrophobicContact CD1-CG 4.05Å; I352-F379 HydrophobicContact CG1-CB 4.24Å; I352-F379 HydrophobicContact CG1-CD1 4.37Å; F374-F379 HydrophobicContact CB-CB 4.34Å; F374-F379 HydrophobicContact CD1-CD2 4.11Å; F374-F379 HydrophobicContact CD1-CG 4.37Å; F374-F379 WeakPolarHBondContact O-CD2 3.44Å; F374-F379 PolarHBondContact O-N 2.83Å; F374-F379 VanDerWaalsContact O-N 3.11Å; T375-F379 VanDerWaalsContact CA-O 3.23Å; T375-F379 WeakPolarHBondContact CA-O 3.44Å; T375-F379 PolarHBondContact OG1-O 3.11Å; L377-F379 HydrophobicContact CB-CD2 4.07Å; L377-F379 HydrophobicContact CB-CE2 4.05Å; F379-L574 HydrophobicContact CD2-CD1 4.47Å; F379-L574 HydrophobicContact CE2-CD1 3.73Å; F379-L574 HydrophobicContact CZ-CD1 4.28Å; F379-I577 HydrophobicContact CD1-CG2 4.12Å; F379-I577 HydrophobicContact CE1-CG2 3.79Å; F379-I577 HydrophobicContact CZ-CG2 4.47Å; F379-D578 HydrophobicContact CZ-CB 4.12Å; F379-L581 HydrophobicContact CD1-CD1 4.08Å; F379-L581 HydrophobicContact CE1-CD1 3.74Å
380	A	96.4	Very high	94.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	148.3	161.8	0	0	0	0	0	109.8	Y340 L341 Y349 P350 L351 I352	Y340-A380 HydrophobicContact CE2-CB 3.82Å; L341-A380 CarbonylContact O-C 3.5Å; L341-A380 VanDerWaalsContact O-CA 3.25Å; L341-A380 WeakPolarHBondContact O-CA 3.45Å; Y349-A380 HydrophobicContact CD2-CB 3.41Å; Y349-A380 VanDerWaalsContact CD2-CB 3.41Å; Y349-A380 HydrophobicContact CE2-CB 3.52Å; Y349-A380 HydrophobicContact CG-CB 4.44Å; P350-A380 PolarHBondContact O-N 3.46Å; L351-A380 CarbonylContact C-O 3.56Å; L351-A380 WeakPolarHBondContact CA-O 3.37Å; L351-A380 HydrophobicContact CD1-CB 4.04Å; I352-A380 PolarHBondContact N-O 2.74Å
381	V	96.9	Very high	93.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.3	-178.7	-177.3	0	0	0	0	108.6	L341 I352 W354 P371 F374 R383	L341-V381 HydrophobicContact CB-CB 4.26Å; L341-V381 HydrophobicContact CD1-CB 4.45Å; L341-V381 PolarHBondContact N-O 2.82Å; L341-V381 PolarHBondContact O-N 3Å; I352-V381 HydrophobicContact CB-CG2 4.44Å; I352-V381 WeakPolarHBondContact O-CA 3.12Å; W354-V381 HydrophobicContact CB-CG1 4.49Å; W354-V381 HydrophobicContact CE3-CG1 3.77Å; P371-V381 HydrophobicContact CB-CG1 4.32Å; F374-V381 HydrophobicContact CB-CG2 3.98Å; V381-R383 HydrophobicContact CG1-CG 4.02Å
382	L	97.2	Very high	93.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	113.8	173.3	-175.3	73.5	0	0	0	109.5	A338 Y340 L351 I352 L353 W354 V384 A415 V419	A338-L382 HydrophobicContact CB-CD1 3.8Å; A338-L382 HydrophobicContact CB-CG 4.21Å; Y340-L382 HydrophobicContact CD2-CD1 4.23Å; Y340-L382 HydrophobicContact CG-CD1 4.44Å; L351-L382 HydrophobicContact CD1-CB 3.95Å; I352-L382 PolarHBondContact O-N 3.42Å; L353-L382 HydrophobicContact CD1-CB 4.41Å; L353-L382 HydrophobicContact CD1-CD2 3.79Å; L353-L382 HydrophobicContact CD1-CG 4.38Å; W354-L382 PolarHBondContact N-O 3.12Å; L382-V384 HydrophobicContact CD2-CG2 4.04Å; L382-V384 HydrophobicContact CG-CG2 4.08Å; L382-A415 HydrophobicContact CD2-CB 3.92Å; L382-A415 WeakPolarHBondContact CD2-O 3.23Å; L382-V419 HydrophobicContact CD1-CB 4.27Å; L382-V419 HydrophobicContact CD1-CG1 4.46Å; L382-V419 HydrophobicContact CD1-CG2 4.26Å; L382-V419 HydrophobicContact CD2-CB 4.21Å; L382-V419 HydrophobicContact CD2-CG1 3.75Å
383	R	96.5	Very high	92.9	Very high	20 Å²	20	15.8 Å²	15.8	8%	0.075	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	110.3	-179.8	-70	175	76.8	-160.5	12.3	109.4	A338 I339 W354 Y363 L364 V381	A338-R383 CarbonylContact C-O 3.58Å; A338-R383 WeakPolarHBondContact CA-O 2.94Å; A338-R383 WeakPolarHBondContact CB-O 3.41Å; I339-R383 HydrophobicContact CB-CB 4.22Å; I339-R383 PolarHBondContact N-O 3.31Å; I339-R383 PolarHBondContact O-N 3.48Å; W354-R383 HydrophobicContact CB-CG 4.39Å; W354-R383 WeakPolarHBondContact O-CA 3.41Å; Y363-R383 VanDerWaalsContact CD1-NE 3.31Å; Y363-R383 HydrophobicContact CD2-CB 3.48Å; Y363-R383 VanDerWaalsContact CD2-CB 3.48Å; Y363-R383 HydrophobicContact CD2-CG 4.15Å; Y363-R383 HydrophobicContact CE2-CB 3.97Å; Y363-R383 HydrophobicContact CE2-CG 4.27Å; Y363-R383 HydrophobicContact CG-CB 3.89Å; Y363-R383 HydrophobicContact CG-CG 4.41Å; L364-R383 PolarHBondContact O-NH1 3.09Å; V381-R383 HydrophobicContact CG1-CG 4.02Å
384	V	95.6	Very high	92.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.8	-169.7	-173.6	0	0	0	0	111.3	Y336 A338 L353 W354 H356 L382 A415	Y336-V384 HydrophobicContact CD2-CG1 4.41Å; A338-V384 HydrophobicContact CB-CB 4.37Å; A338-V384 HydrophobicContact CB-CG1 4.5Å; A338-V384 HydrophobicContact CB-CG2 4.14Å; L353-V384 HydrophobicContact CD1-CG2 3.67Å; W354-V384 PolarHBondContact O-N 2.86Å; H356-V384 PolarHBondContact CD2-O 2.62Å; L382-V384 HydrophobicContact CD2-CG2 4.04Å; L382-V384 HydrophobicContact CG-CG2 4.08Å; V384-A415 HydrophobicContact CG1-CB 4.01Å; V384-A415 HydrophobicContact CG2-CB 3.72Å
385	N	94.3	Very high	92.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	82.4	167.4	-70.6	-29.5	0	0	0	109.2	S257 Y336 E337 A362 Y363 S389 F392	S257-N385 PolarHBondContact OG-ND2 2.94Å; Y336-N385 WeakPolarHBondContact CB-O 3.36Å; E337-N385 WeakPolarHBondContact O-CB 3.39Å; E337-N385 PolarHBondContact O-N 3.16Å; A362-N385 WeakPolarHBondContact CA-OD1 3.31Å; Y363-N385 PolarHBondContact N-OD1 2.91Å; Y363-N385 PolarHBondContact O-ND2 2.86Å; N385-S389 VanDerWaalsContact CA-OG 3.31Å; N385-S389 WeakPolarHBondContact CA-OG 3.36Å; N385-F392 HydrophobicContact CB-CE2 3.82Å; N385-F392 HydrophobicContact CB-CZ 3.99Å
386	Y	95.8	Very high	91.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.			trans	-68.9	163.6	-177.5	46.9	-97	0	0	0	112.7	P355 H356 P359 G388 S389 F396 L400 D408 H438 L442	P355-Y386 HydrophobicContact CB-CD1 4.43Å; P355-Y386 HydrophobicContact CB-CE1 4.1Å; H356-Y386 AromaticContact CD2-CE1 3.96Å; H356-Y386 AromaticContact CE1-CE1 3.81Å; H356-Y386 AromaticContact CE1-CE2 3.96Å; H356-Y386 AromaticContact CE1-CZ 3.43Å; H356-Y386 VanDerWaalsContact CE1-CZ 3.43Å; H356-Y386 PolarHBondContact CE1-OH 3.38Å; H356-Y386 AromaticContact ND1-CZ 3.82Å; H356-Y386 PolarHBondContact ND1-OH 2.83Å; H356-Y386 AromaticContact NE2-CE1 3.71Å; H356-Y386 AromaticContact NE2-CZ 3.78Å; H356-Y386 PolarHBondContact O-OH 2.87Å; P359-Y386 WeakPolarHBondContact CA-OH 2.92Å; P359-Y386 HydrophobicContact CB-CE2 4.39Å; P359-Y386 WeakPolarHBondContact O-CE2 3.37Å; Y386-G388 PolarHBondContact O-N 3.19Å; Y386-S389 PolarHBondContact N-OG 2.79Å; Y386-S389 VanDerWaalsContact N-OG 3.16Å; Y386-S389 VanDerWaalsContact O-CB 3.31Å; Y386-S389 WeakPolarHBondContact O-CB 3.12Å; Y386-S389 PolarHBondContact O-N 2.92Å; Y386-S389 PolarHBondContact O-OG 3.46Å; Y386-F396 WeakPolarHBondContact O-CE1 3.41Å; Y386-F396 WeakPolarHBondContact O-CZ 3.33Å; Y386-L400 HydrophobicContact CD2-CD2 4.1Å; Y386-L400 HydrophobicContact CE2-CD2 3.83Å; Y386-D408 HydrophobicContact CD2-CB 3.69Å; Y386-D408 HydrophobicContact CE2-CB 4.15Å; Y386-D408 HydrophobicContact CG-CB 4.01Å; Y386-H438 PolarHBondContact OH-CD2 3.33Å; Y386-L442 HydrophobicContact CD1-CD1 3.8Å; Y386-L442 HydrophobicContact CE1-CD1 3.34Å; Y386-L442 HydrophobicContact CE2-CD1 4.4Å; Y386-L442 HydrophobicContact CG-CD1 4.5Å
387	R	94.2	Very high	91.8	Very high	59 Å²	59	16 Å²	16	22%	0.223	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	124.8	172.7	-76.2	173.3	-73	-172.6	-3.5	110.5	F396 A399 L400 L407 D411	R387-F396 VanDerWaalsContact CA-CE1 3.46Å; R387-F396 HydrophobicContact CB-CE2 4.24Å; R387-F396 HydrophobicContact CB-CZ 4.26Å; R387-F396 HydrophobicContact CG-CD2 3.84Å; R387-F396 HydrophobicContact CG-CE2 3.41Å; R387-F396 VanDerWaalsContact CG-CE2 3.41Å; R387-F396 HydrophobicContact CG-CZ 3.85Å; R387-A399 HydrophobicContact CB-CB 4.31Å; R387-L400 WeakPolarHBondContact O-CB 3.2Å; R387-L400 WeakPolarHBondContact O-CD2 3.4Å; R387-L407 HydrophobicContact CB-CD2 3.81Å; R387-L407 HydrophobicContact CB-CG 4.22Å; R387-D411 VanDerWaalsContact CB-OD2 3.24Å; R387-D411 WeakPolarHBondContact CB-OD2 3.38Å; R387-D411 VanDerWaalsContact CG-OD2 3.31Å; R387-D411 WeakPolarHBondContact CG-OD2 3.41Å; R387-D411 IonicContact CZ-OD1 3.06Å; R387-D411 VanDerWaalsContact CZ-OD1 3.23Å; R387-D411 IonicContact CZ-OD2 2.89Å; R387-D411 PolarHBondContact N-OD2 3.33Å; R387-D411 IonicContact NE-OD1 3.58Å; R387-D411 PolarHBondContact NE-OD1 3.41Å; R387-D411 VanDerWaalsContact NE-OD1 3.11Å; R387-D411 IonicContact NE-OD2 3.44Å; R387-D411 PolarHBondContact NE-OD2 2.88Å; R387-D411 IonicContact NH2-OD1 3.42Å; R387-D411 PolarHBondContact NH2-OD1 2.67Å; R387-D411 IonicContact NH2-OD2 4Å
388	G	93	Very high	91.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	112.7	-13.8	-165.2	0	0	0	0	0	114	P359 H360 Y386 F396 L397	P359-G388 CarbonylContact O-C 3.48Å; H360-G388 WeakPolarHBondContact CA-O 3.42Å; H360-G388 PolarHBondContact ND1-O 3.13Å; Y386-G388 PolarHBondContact O-N 3.19Å; G388-F396 WeakPolarHBondContact CA-O 2.96Å; G388-F396 PolarHBondContact N-O 2.76Å; G388-L397 VanDerWaalsContact O-CD1 3.28Å; G388-L397 WeakPolarHBondContact O-CD1 3.45Å
389	S	92.8	Very high	91.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.079	C	C	.	.			trans	-74	158.7	178.9	-53.2	0	0	0	0	113.4	H356 S361 N385 Y386	H356-S389 PolarHBondContact NE2-OG 3.4Å; S361-S389 CarbonylContact O-C 3.52Å; S361-S389 WeakPolarHBondContact O-CA 3.42Å; S361-S389 WeakPolarHBondContact O-CB 3.36Å; N385-S389 VanDerWaalsContact CA-OG 3.31Å; N385-S389 WeakPolarHBondContact CA-OG 3.36Å; Y386-S389 PolarHBondContact N-OG 2.79Å; Y386-S389 VanDerWaalsContact N-OG 3.16Å; Y386-S389 VanDerWaalsContact O-CB 3.31Å; Y386-S389 WeakPolarHBondContact O-CB 3.12Å; Y386-S389 PolarHBondContact O-N 2.92Å; Y386-S389 PolarHBondContact O-OG 3.46Å
390	F	87.4	Confident	91.6	Very high	10 Å²	10	17.1 Å²	17.1	4%	0.044	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	155.3	172.6	-66.1	-28	0	0	0	113.1	A206 Y233 V254 H360 S361 A362 F392 L397	A206-F390 HydrophobicContact CB-CZ 4Å; A206-F390 WeakPolarHBondContact O-CZ 3.16Å; Y233-F390 HydrophobicContact CD1-CB 3.63Å; Y233-F390 AromaticContact CD1-CD1 3.55Å; Y233-F390 HydrophobicContact CD1-CD1 3.55Å; Y233-F390 HydrophobicContact CD1-CE1 4.38Å; Y233-F390 AromaticContact CD1-CG 3.73Å; Y233-F390 HydrophobicContact CD1-CG 3.73Å; Y233-F390 HydrophobicContact CE1-CB 4.23Å; Y233-F390 AromaticContact CE1-CD1 3.98Å; Y233-F390 HydrophobicContact CE1-CD1 3.98Å; Y233-F390 HydrophobicContact CE1-CG 4.45Å; Y233-F390 HydrophobicContact CG-CB 4.02Å; Y233-F390 HydrophobicContact CG-CG 4.41Å; V254-F390 HydrophobicContact CB-CB 4.26Å; V254-F390 HydrophobicContact CG1-CB 4.23Å; V254-F390 HydrophobicContact CG2-CB 4.38Å; H360-F390 HydrophobicContact CB-CD1 4.32Å; H360-F390 HydrophobicContact CB-CE1 3.63Å; H360-F390 HydrophobicContact CB-CZ 4.05Å; H360-F390 VanDerWaalsContact O-CE2 3.23Å; H360-F390 WeakPolarHBondContact O-CE2 3.18Å; H360-F390 WeakPolarHBondContact O-CZ 3.33Å; S361-F390 PolarHBondContact O-N 3.49Å; A362-F390 HydrophobicContact CB-CB 4.2Å; F390-F392 WeakPolarHBondContact O-CD2 3.46Å; F390-F392 WeakPolarHBondContact O-CE2 3.47Å; F390-L397 HydrophobicContact CD1-CD1 3.89Å; F390-L397 HydrophobicContact CE1-CD1 4.03Å
391	G	84.3	Confident	91.6	Very high	2 Å²	2	18.3 Å²	18.3	2%	0.021	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.6	0.1	171	0	0	0	0	0	115.4	P230 G256	P230-G391 WeakPolarHBondContact CB-O 3.39Å; P230-G391 WeakPolarHBondContact CG-O 3.49Å; G256-G391 PolarHBondContact N-O 3.16Å
392	F	85.5	Confident	91.6	Very high	21 Å²	21	20 Å²	20	9%	0.092	10%	0.102	C	C	.	.	S	Bend	trans	-120.4	15.6	-170.1	-59.1	-82.2	0	0	0	114.1	E337 N385 F390 F396	E337-F392 HydrophobicContact CB-CE1 3.9Å; E337-F392 HydrophobicContact CB-CZ 3.88Å; E337-F392 HydrophobicContact CG-CE1 3.66Å; E337-F392 HydrophobicContact CG-CZ 4.13Å; N385-F392 HydrophobicContact CB-CE2 3.82Å; N385-F392 HydrophobicContact CB-CZ 3.99Å; F390-F392 WeakPolarHBondContact O-CD2 3.46Å; F390-F392 WeakPolarHBondContact O-CE2 3.47Å; F392-F396 HydrophobicContact CB-CB 3.69Å; F392-F396 HydrophobicContact CB-CD1 3.4Å; F392-F396 HydrophobicContact CB-CD2 3.93Å; F392-F396 HydrophobicContact CB-CE1 3.85Å; F392-F396 HydrophobicContact CB-CE2 4.38Å; F392-F396 HydrophobicContact CB-CG 3.41Å; F392-F396 VanDerWaalsContact CB-CG 3.41Å; F392-F396 HydrophobicContact CB-CZ 4.32Å; F392-F396 AromaticContact CD2-CD1 3.92Å; F392-F396 HydrophobicContact CD2-CD1 3.92Å; F392-F396 AromaticContact CD2-CE1 3.59Å; F392-F396 HydrophobicContact CD2-CE1 3.59Å; F392-F396 HydrophobicContact CD2-CZ 4.16Å; F392-F396 HydrophobicContact CE2-CE1 4.38Å; F392-F396 AromaticContact CG-CD1 3.9Å; F392-F396 HydrophobicContact CG-CD1 3.9Å; F392-F396 AromaticContact CG-CE1 3.81Å; F392-F396 HydrophobicContact CG-CE1 3.81Å; F392-F396 HydrophobicContact CG-CE2 4.49Å; F392-F396 HydrophobicContact CG-CG 4.23Å; F392-F396 HydrophobicContact CG-CZ 4.12Å; F392-F396 VanDerWaalsContact O-CB 3.27Å; F392-F396 WeakPolarHBondContact O-CB 3.32Å
393	G	83.1	Confident	91.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.125	C	C	.	.			trans	89.5	160.7	-176.4	0	0	0	0	0	114.2	P230 Y233 D395 F396 L397	P230-G393 WeakPolarHBondContact O-CA 3.4Å; Y233-G393 VanDerWaalsContact OH-CA 3.28Å; Y233-G393 WeakPolarHBondContact OH-CA 3.48Å; Y233-G393 PolarHBondContact OH-N 2.61Å; Y233-G393 VanDerWaalsContact OH-N 3.16Å; Y233-G393 PolarHBondContact OH-O 3.15Å; G393-D395 PolarHBondContact O-N 3.46Å; G393-F396 PolarHBondContact O-N 2.93Å; G393-L397 PolarHBondContact O-N 2.97Å; G393-L397 VanDerWaalsContact O-N 3.1Å
394	E	84.3	Confident	91.7	Very high	20 Å²	20	25.3 Å²	25.3	9%	0.093	12%	0.123	C	C	.	.	H	α-helix	trans	-65.8	-37.3	-175.1	-176.8	70.7	179.9	0	0	112.1	K207 V220 F396 L397 R398	K207-E394 WeakPolarHBondContact CE-OE1 3.43Å; K207-E394 IonicContact NZ-OE1 2.96Å; K207-E394 PolarHBondContact NZ-OE1 2.94Å; V220-E394 PolarHBondContact O-N 2.96Å; E394-F396 VanDerWaalsContact C-N 3.31Å; E394-F396 PolarHBondContact O-N 2.85Å; E394-L397 WeakPolarHBondContact O-CB 3.42Å; E394-L397 PolarHBondContact O-N 3.12Å; E394-R398 HydrophobicContact CG-CG 4.25Å; E394-R398 WeakPolarHBondContact O-CB 3.49Å; E394-R398 PolarHBondContact O-N 2.79Å; E394-R398 WeakPolarHBondContact OE1-CD 3.49Å; E394-R398 IonicContact OE1-CZ 2.93Å; E394-R398 IonicContact OE1-NE 2.82Å; E394-R398 PolarHBondContact OE1-NE 3.28Å; E394-R398 IonicContact OE1-NH2 2.93Å
395	D	88.1	Confident	91.8	Very high	95 Å²	95	25.5 Å²	25.5	51%	0.508	13%	0.125	S	C	.	.	H	α-helix	trans	-63.1	-38.4	177.2	-76.6	-10	0	0	0	111.7	A221 G393 A399	A221-D395 VanDerWaalsContact O-CB 3.24Å; A221-D395 WeakPolarHBondContact O-CB 3.3Å; A221-D395 PolarHBondContact O-N 2.88Å; G393-D395 PolarHBondContact O-N 3.46Å; D395-A399 WeakPolarHBondContact O-CB 3.39Å; D395-A399 PolarHBondContact O-N 3.17Å
396	F	89.2	Confident	91.9	Very high	16 Å²	16	32.4 Å²	32.4	7%	0.07	16%	0.155	C	C	.	.	H	α-helix	trans	-68.3	-41.4	176.4	-171.7	-86.5	0	0	0	111.1	P335 Y386 R387 G388 F392 G393 E394 A399	P335-F396 HydrophobicContact CG-CD2 4.19Å; P335-F396 HydrophobicContact CG-CE2 4.26Å; P335-F396 WeakPolarHBondContact O-CE2 3.4Å; Y386-F396 WeakPolarHBondContact O-CE1 3.41Å; Y386-F396 WeakPolarHBondContact O-CZ 3.33Å; R387-F396 VanDerWaalsContact CA-CE1 3.46Å; R387-F396 HydrophobicContact CB-CE2 4.24Å; R387-F396 HydrophobicContact CB-CZ 4.26Å; R387-F396 HydrophobicContact CG-CD2 3.84Å; R387-F396 HydrophobicContact CG-CE2 3.41Å; R387-F396 VanDerWaalsContact CG-CE2 3.41Å; R387-F396 HydrophobicContact CG-CZ 3.85Å; G388-F396 WeakPolarHBondContact CA-O 2.96Å; G388-F396 PolarHBondContact N-O 2.76Å; F392-F396 HydrophobicContact CB-CB 3.69Å; F392-F396 HydrophobicContact CB-CD1 3.4Å; F392-F396 HydrophobicContact CB-CD2 3.93Å; F392-F396 HydrophobicContact CB-CE1 3.85Å; F392-F396 HydrophobicContact CB-CE2 4.38Å; F392-F396 HydrophobicContact CB-CG 3.41Å; F392-F396 VanDerWaalsContact CB-CG 3.41Å; F392-F396 HydrophobicContact CB-CZ 4.32Å; F392-F396 AromaticContact CD2-CD1 3.92Å; F392-F396 HydrophobicContact CD2-CD1 3.92Å; F392-F396 AromaticContact CD2-CE1 3.59Å; F392-F396 HydrophobicContact CD2-CE1 3.59Å; F392-F396 HydrophobicContact CD2-CZ 4.16Å; F392-F396 HydrophobicContact CE2-CE1 4.38Å; F392-F396 AromaticContact CG-CD1 3.9Å; F392-F396 HydrophobicContact CG-CD1 3.9Å; F392-F396 AromaticContact CG-CE1 3.81Å; F392-F396 HydrophobicContact CG-CE1 3.81Å; F392-F396 HydrophobicContact CG-CE2 4.49Å; F392-F396 HydrophobicContact CG-CG 4.23Å; F392-F396 HydrophobicContact CG-CZ 4.12Å; F392-F396 VanDerWaalsContact O-CB 3.27Å; F392-F396 WeakPolarHBondContact O-CB 3.32Å; G393-F396 PolarHBondContact O-N 2.93Å; E394-F396 VanDerWaalsContact C-N 3.31Å; E394-F396 PolarHBondContact O-N 2.85Å; F396-A399 WeakPolarHBondContact O-CB 3.32Å; F396-A399 PolarHBondContact O-N 2.79Å
397	L	88.8	Confident	92	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.4	-51.2	176.6	-178.7	67.5	0	0	0	111.8	P204 K207 Y233 H360 G388 F390 G393 E394 A399	P204-L397 HydrophobicContact CB-CD1 4.15Å; P204-L397 HydrophobicContact CB-CD2 4.18Å; P204-L397 HydrophobicContact CB-CG 3.93Å; P204-L397 HydrophobicContact CG-CD2 4.22Å; P204-L397 HydrophobicContact CG-CG 3.91Å; K207-L397 HydrophobicContact CG-CD2 4.08Å; Y233-L397 HydrophobicContact CE1-CD2 4.44Å; H360-L397 HydrophobicContact CB-CD1 3.76Å; H360-L397 WeakPolarHBondContact ND1-CD1 3.3Å; G388-L397 VanDerWaalsContact O-CD1 3.28Å; G388-L397 WeakPolarHBondContact O-CD1 3.45Å; F390-L397 HydrophobicContact CD1-CD1 3.89Å; F390-L397 HydrophobicContact CE1-CD1 4.03Å; G393-L397 PolarHBondContact O-N 2.97Å; G393-L397 VanDerWaalsContact O-N 3.1Å; E394-L397 WeakPolarHBondContact O-CB 3.42Å; E394-L397 PolarHBondContact O-N 3.12Å; L397-A399 PolarHBondContact O-N 3.28Å
398	R	91.6	Very high	92.1	Very high	104 Å²	104	30.3 Å²	30.3	39%	0.392	15%	0.148	S	C	.	.	H	α-helix	trans	-74.7	-4.5	179.8	-71.3	-166.3	176.9	-94.4	12.8	113.7	E200 P204 E394 L400 P401	E200-R398 IonicContact OE2-NH2 2.69Å; E200-R398 PolarHBondContact OE2-NH2 3.44Å; P204-R398 HydrophobicContact CG-CG 4.03Å; E394-R398 HydrophobicContact CG-CG 4.25Å; E394-R398 WeakPolarHBondContact O-CB 3.49Å; E394-R398 PolarHBondContact O-N 2.79Å; E394-R398 WeakPolarHBondContact OE1-CD 3.49Å; E394-R398 IonicContact OE1-CZ 2.93Å; E394-R398 IonicContact OE1-NE 2.82Å; E394-R398 PolarHBondContact OE1-NE 3.28Å; E394-R398 IonicContact OE1-NH2 2.93Å; R398-L400 PolarHBondContact O-N 2.87Å; R398-P401 WeakPolarHBondContact O-CD 3.27Å
399	A	93.5	Very high	92.4	Very high	13 Å²	13	30.3 Å²	30.3	11%	0.107	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.6	174.7	0	0	0	0	0	112.3	R387 D395 F396 L397 R403 L407	R387-A399 HydrophobicContact CB-CB 4.31Å; D395-A399 WeakPolarHBondContact O-CB 3.39Å; D395-A399 PolarHBondContact O-N 3.17Å; F396-A399 WeakPolarHBondContact O-CB 3.32Å; F396-A399 PolarHBondContact O-N 2.79Å; L397-A399 PolarHBondContact O-N 3.28Å; A399-R403 PolarHBondContact O-NE 3.36Å; A399-R403 PolarHBondContact O-NH2 2.92Å; A399-L407 HydrophobicContact CB-CD2 4.05Å; A399-L407 WeakPolarHBondContact O-CD2 3.35Å
400	L	95.8	Very high	92.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-84.5	-40.8	-169.9	-172.7	56.8	0	0	0	116.2	P359 Y386 R387 R398 G402 R403 V404 L407 D408	P359-L400 HydrophobicContact CB-CD2 3.37Å; P359-L400 HydrophobicContact CB-CG 4.49Å; Y386-L400 HydrophobicContact CD2-CD2 4.1Å; Y386-L400 HydrophobicContact CE2-CD2 3.83Å; R387-L400 WeakPolarHBondContact O-CB 3.2Å; R387-L400 WeakPolarHBondContact O-CD2 3.4Å; R398-L400 PolarHBondContact O-N 2.87Å; L400-G402 PolarHBondContact O-N 3.09Å; L400-R403 CarbonylContact O-C 3.6Å; L400-R403 WeakPolarHBondContact O-CA 3.38Å; L400-R403 WeakPolarHBondContact O-CB 3.17Å; L400-R403 PolarHBondContact O-N 3.01Å; L400-V404 HydrophobicContact CD1-CG1 3.81Å; L400-V404 HydrophobicContact CD2-CG1 4.27Å; L400-V404 HydrophobicContact CG-CG1 3.73Å; L400-V404 PolarHBondContact O-N 3.17Å; L400-L407 HydrophobicContact CD1-CB 4.24Å; L400-D408 HydrophobicContact CD1-CB 3.76Å; L400-D408 HydrophobicContact CD2-CB 4.46Å
401	P	95.7	Very high	93	Very high	25 Å²	25	34 Å²	34	16%	0.162	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	134.6	-179.8	-31	38	0	0	0	113.3	P204 R398 R403 V481	P204-P401 HydrophobicContact CG-CG 4.07Å; R398-P401 WeakPolarHBondContact O-CD 3.27Å; P401-R403 PolarHBondContact O-N 2.9Å; P401-V481 HydrophobicContact CB-CG1 4.02Å; P401-V481 HydrophobicContact CG-CG1 4.07Å
402	G	97	Very high	93.6	Very high	35 Å²	35	34 Å²	34	36%	0.361	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	2.4	-173.7	0	0	0	0	0	115.1	L400 V481 E482	L400-G402 PolarHBondContact O-N 3.09Å; G402-V481 PolarHBondContact N-O 2.93Å; G402-E482 VanDerWaalsContact CA-O 3.28Å; G402-E482 WeakPolarHBondContact CA-O 3.4Å; G402-E482 PolarHBondContact N-O 3.26Å
403	R	97.7	Very high	94.1	Very high	126 Å²	126	34.8 Å²	34.8	48%	0.475	17%	0.17	S	C	.	.			trans	-133.2	10.7	-176	-59	-166.5	-74.1	-169.9	-7.6	114.4	A399 L400 P401 K406 L407	A399-R403 PolarHBondContact O-NE 3.36Å; A399-R403 PolarHBondContact O-NH2 2.92Å; L400-R403 CarbonylContact O-C 3.6Å; L400-R403 WeakPolarHBondContact O-CA 3.38Å; L400-R403 WeakPolarHBondContact O-CB 3.17Å; L400-R403 PolarHBondContact O-N 3.01Å; P401-R403 PolarHBondContact O-N 2.9Å; R403-K406 PolarHBondContact O-N 3.49Å; R403-L407 HydrophobicContact CB-CB 4.01Å; R403-L407 PolarHBondContact O-N 3.11Å
404	V	98.4	Very high	94.6	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.03	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	150	174.9	-60.3	0	0	0	0	112.1	L400 K406 F441 I466 E482 A505	L400-V404 HydrophobicContact CD1-CG1 3.81Å; L400-V404 HydrophobicContact CD2-CG1 4.27Å; L400-V404 HydrophobicContact CG-CG1 3.73Å; L400-V404 PolarHBondContact O-N 3.17Å; V404-K406 PolarHBondContact O-N 3.18Å; V404-F441 HydrophobicContact CB-CE1 4.21Å; V404-F441 HydrophobicContact CB-CZ 4.25Å; V404-F441 HydrophobicContact CG2-CZ 4.17Å; V404-I466 HydrophobicContact CG2-CD1 3.95Å; V404-E482 HydrophobicContact CB-CB 4.49Å; V404-E482 HydrophobicContact CG1-CB 3.74Å; V404-E482 HydrophobicContact CG1-CG 4.27Å; V404-E482 WeakPolarHBondContact CG1-OE2 3.45Å; V404-E482 HydrophobicContact CG2-CB 4Å; V404-E482 WeakPolarHBondContact CG2-O 3.45Å; V404-A505 HydrophobicContact CG2-CB 4.32Å
405	G	98	Very high	95.1	Very high	5 Å²	5	36.8 Å²	36.8	5%	0.052	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	1.4	-175.1	0	0	0	0	0	113.7	D408 V409 H445 Q449	G405-D408 PolarHBondContact N-OD1 2.91Å; G405-D408 PolarHBondContact N-OD2 2.84Å; G405-V409 VanDerWaalsContact C-CG2 3.47Å; G405-V409 WeakPolarHBondContact O-CG2 3.44Å; G405-H445 VanDerWaalsContact CA-NE2 3.27Å; G405-H445 WeakPolarHBondContact CA-NE2 3.26Å; G405-Q449 PolarHBondContact O-NE2 3.43Å
406	K	97	Very high	95.4	Very high	145 Å²	145	32.3 Å²	32.3	63%	0.63	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132.4	-64.3	178.2	-176.2	178.5	-179.6	178.9	0	110.9	R403 V404 D408 L410	R403-K406 PolarHBondContact O-N 3.49Å; V404-K406 PolarHBondContact O-N 3.18Å; K406-D408 PolarHBondContact N-OD1 2.69Å; K406-L410 HydrophobicContact CG-CD1 4.41Å; K406-L410 WeakPolarHBondContact O-CB 3.36Å; K406-L410 WeakPolarHBondContact O-CG 3.5Å; K406-L410 PolarHBondContact O-N 3.1Å
407	L	96.4	Very high	95.6	Very high	15 Å²	15	34.1 Å²	34.1	8%	0.079	17%	0.166	C	C	.	.	H	α-helix	trans	-66.7	-53.8	-173.2	-171.7	69.2	0	0	0	111.7	R387 A399 L400 R403 V409 L410 D411	R387-L407 HydrophobicContact CB-CD2 3.81Å; R387-L407 HydrophobicContact CB-CG 4.22Å; A399-L407 HydrophobicContact CB-CD2 4.05Å; A399-L407 WeakPolarHBondContact O-CD2 3.35Å; L400-L407 HydrophobicContact CD1-CB 4.24Å; R403-L407 HydrophobicContact CB-CB 4.01Å; R403-L407 PolarHBondContact O-N 3.11Å; L407-V409 VanDerWaalsContact C-N 3.35Å; L407-V409 PolarHBondContact O-N 2.82Å; L407-L410 PolarHBondContact O-N 2.79Å; L407-D411 PolarHBondContact O-N 3.37Å
408	D	97.6	Very high	95.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-39.2	175.5	50	-3.3	0	0	0	112.9	Y386 L400 G405 K406 D411 C412 H438 L442	Y386-D408 HydrophobicContact CD2-CB 3.69Å; Y386-D408 HydrophobicContact CE2-CB 4.15Å; Y386-D408 HydrophobicContact CG-CB 4.01Å; L400-D408 HydrophobicContact CD1-CB 3.76Å; L400-D408 HydrophobicContact CD2-CB 4.46Å; G405-D408 PolarHBondContact N-OD1 2.91Å; G405-D408 PolarHBondContact N-OD2 2.84Å; K406-D408 PolarHBondContact N-OD1 2.69Å; D408-D411 PolarHBondContact O-N 3.06Å; D408-C412 PolarHBondContact O-N 2.82Å; D408-C412 PolarHBondContact O-SG 3.2Å; D408-H438 IonicContact OD2-CD2 2.6Å; D408-H438 IonicContact OD2-CE1 3.83Å; D408-H438 IonicContact OD2-NE2 3.78Å; D408-H438 PolarHBondContact OD2-NE2 3.43Å; D408-L442 HydrophobicContact CB-CD1 4.29Å; D408-L442 HydrophobicContact CB-CD2 3.81Å; D408-L442 VanDerWaalsContact CG-CD2 3.44Å; D408-L442 WeakPolarHBondContact OD2-CD2 3.45Å
409	V	98.2	Very high	95.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64	-44.4	174.2	175.9	0	0	0	0	111.6	G405 L407 C412 R413 L442 H445 L446 F450	G405-V409 VanDerWaalsContact C-CG2 3.47Å; G405-V409 WeakPolarHBondContact O-CG2 3.44Å; L407-V409 VanDerWaalsContact C-N 3.35Å; L407-V409 PolarHBondContact O-N 2.82Å; V409-C412 PolarHBondContact O-N 3.35Å; V409-R413 PolarHBondContact O-N 3.28Å; V409-L442 HydrophobicContact CB-CD2 4.44Å; V409-L442 HydrophobicContact CG2-CD2 3.51Å; V409-H445 HydrophobicContact CG1-CB 4.34Å; V409-H445 HydrophobicContact CG2-CB 3.51Å; V409-L446 HydrophobicContact CG1-CD2 4.08Å; V409-L446 HydrophobicContact CG1-CG 4.46Å; V409-F450 HydrophobicContact CG1-CE2 3.89Å
410	L	96	Very high	95.9	Very high	88 Å²	88	31.5 Å²	31.5	46%	0.461	16%	0.16	S	C	.	.	H	α-helix	trans	-65.1	-40.1	177.8	-73.8	170.9	0	0	0	111.8	K406 L407 R413 H414	K406-L410 HydrophobicContact CG-CD1 4.41Å; K406-L410 WeakPolarHBondContact O-CB 3.36Å; K406-L410 WeakPolarHBondContact O-CG 3.5Å; K406-L410 PolarHBondContact O-N 3.1Å; L407-L410 PolarHBondContact O-N 2.79Å; L410-R413 PolarHBondContact O-N 2.67Å; L410-H414 VanDerWaalsContact O-CB 3.27Å; L410-H414 WeakPolarHBondContact O-CB 3.48Å; L410-H414 PolarHBondContact O-N 3.31Å
411	D	96.3	Very high	95.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-44.4	175.7	-72.3	-9.5	0	0	0	111.4	Y336 R387 L407 D408 R413 H414 A415	Y336-D411 HydrophobicContact CD1-CB 4.08Å; Y336-D411 HydrophobicContact CE1-CB 4.36Å; R387-D411 VanDerWaalsContact CB-OD2 3.24Å; R387-D411 WeakPolarHBondContact CB-OD2 3.38Å; R387-D411 VanDerWaalsContact CG-OD2 3.31Å; R387-D411 WeakPolarHBondContact CG-OD2 3.41Å; R387-D411 IonicContact CZ-OD1 3.06Å; R387-D411 VanDerWaalsContact CZ-OD1 3.23Å; R387-D411 IonicContact CZ-OD2 2.89Å; R387-D411 PolarHBondContact N-OD2 3.33Å; R387-D411 IonicContact NE-OD1 3.58Å; R387-D411 PolarHBondContact NE-OD1 3.41Å; R387-D411 VanDerWaalsContact NE-OD1 3.11Å; R387-D411 IonicContact NE-OD2 3.44Å; R387-D411 PolarHBondContact NE-OD2 2.88Å; R387-D411 IonicContact NH2-OD1 3.42Å; R387-D411 PolarHBondContact NH2-OD1 2.67Å; R387-D411 IonicContact NH2-OD2 4Å; L407-D411 PolarHBondContact O-N 3.37Å; D408-D411 PolarHBondContact O-N 3.06Å; D411-R413 VanDerWaalsContact C-N 3.35Å; D411-R413 PolarHBondContact O-N 3.37Å; D411-H414 PolarHBondContact O-N 2.78Å; D411-A415 WeakPolarHBondContact O-CB 3.46Å; D411-A415 PolarHBondContact O-N 3.2Å
412	C	96.9	Very high	95.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-40.7	176.2	-66.7	0	0	0	0	112.3	D408 V409 C416 L446	D408-C412 PolarHBondContact O-N 2.82Å; D408-C412 PolarHBondContact O-SG 3.2Å; V409-C412 PolarHBondContact O-N 3.35Å; C412-C416 WeakPolarHBondContact O-CB 3.26Å; C412-C416 PolarHBondContact O-N 2.86Å; C412-C416 VanDerWaalsContact O-N 3.11Å; C412-L446 HydrophobicContact CB-CD1 3.98Å; C412-L446 HydrophobicContact CB-CD2 4.37Å
413	R	95.9	Very high	95.3	Very high	39 Å²	39	42.8 Å²	42.8	15%	0.147	20%	0.196	C	C	.	.	H	α-helix	trans	-64.8	-48.4	176.6	177.9	66.1	-152.3	177.3	1.8	111	V409 L410 D411 A415 C416 D417 L446 F450 N453	V409-R413 PolarHBondContact O-N 3.28Å; L410-R413 PolarHBondContact O-N 2.67Å; D411-R413 VanDerWaalsContact C-N 3.35Å; D411-R413 PolarHBondContact O-N 3.37Å; R413-A415 VanDerWaalsContact C-N 3.34Å; R413-A415 PolarHBondContact O-N 2.66Å; R413-C416 WeakPolarHBondContact O-CB 3.43Å; R413-C416 PolarHBondContact O-N 3.3Å; R413-D417 IonicContact CZ-OD1 2.9Å; R413-D417 IonicContact CZ-OD2 3.32Å; R413-D417 IonicContact NE-OD1 3.16Å; R413-D417 PolarHBondContact NE-OD1 2.97Å; R413-D417 IonicContact NE-OD2 3.51Å; R413-D417 PolarHBondContact NE-OD2 2.85Å; R413-D417 IonicContact NH2-OD1 3.96Å; R413-D417 PolarHBondContact NH2-OD1 2.7Å; R413-D417 IonicContact NH2-OD2 2.82Å; R413-D417 PolarHBondContact NH2-OD2 3.47Å; R413-D417 PolarHBondContact O-N 3.43Å; R413-L446 HydrophobicContact CB-CD2 4.3Å; R413-F450 HydrophobicContact CB-CE2 4.01Å; R413-F450 HydrophobicContact CB-CZ 3.99Å; R413-F450 HydrophobicContact CG-CD1 4.4Å; R413-F450 HydrophobicContact CG-CE1 3.91Å; R413-F450 HydrophobicContact CG-CE2 4.09Å; R413-F450 HydrophobicContact CG-CZ 3.75Å; R413-N453 PolarHBondContact NH1-ND2 2.73Å; R413-N453 PolarHBondContact NH2-ND2 3.4Å
414	H	94.6	Very high	95.1	Very high	62 Å²	62	46 Å²	46	29%	0.287	21%	0.208	S	C	.	.	H	α-helix	trans	-59.8	-44.9	178.8	-177.4	-88.1	0	0	0	111	S331 I334 Y336 L410 D411 C416 D417 T418	S331-H414 PolarHBondContact OG-CE1 2.77Å; S331-H414 VanDerWaalsContact OG-CE1 3.25Å; I334-H414 HydrophobicContact CD1-CB 4.33Å; Y336-H414 HydrophobicContact CE1-CB 4.47Å; Y336-H414 AromaticContact CE1-ND1 3.62Å; Y336-H414 AromaticContact CZ-ND1 3.6Å; Y336-H414 PolarHBondContact OH-ND1 3.42Å; L410-H414 VanDerWaalsContact O-CB 3.27Å; L410-H414 WeakPolarHBondContact O-CB 3.48Å; L410-H414 PolarHBondContact O-N 3.31Å; D411-H414 PolarHBondContact O-N 2.78Å; H414-C416 VanDerWaalsContact C-N 3.31Å; H414-C416 PolarHBondContact O-N 2.9Å; H414-D417 PolarHBondContact O-N 2.82Å; H414-D417 VanDerWaalsContact O-N 3.14Å; H414-T418 PolarHBondContact CE1-OG1 3.33Å; H414-T418 WeakPolarHBondContact O-CB 3.44Å; H414-T418 PolarHBondContact O-N 3.24Å; H414-T418 PolarHBondContact O-OG1 2.95Å
415	A	94.5	Very high	95	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.2	-41.5	176.6	0	0	0	0	0	112.7	Y336 L382 V384 D411 R413 V419	Y336-A415 HydrophobicContact CE2-CB 3.67Å; Y336-A415 WeakPolarHBondContact OH-CA 2.93Å; Y336-A415 WeakPolarHBondContact OH-CB 3.23Å; Y336-A415 PolarHBondContact OH-N 3.46Å; L382-A415 HydrophobicContact CD2-CB 3.92Å; L382-A415 WeakPolarHBondContact CD2-O 3.23Å; V384-A415 HydrophobicContact CG1-CB 4.01Å; V384-A415 HydrophobicContact CG2-CB 3.72Å; D411-A415 WeakPolarHBondContact O-CB 3.46Å; D411-A415 PolarHBondContact O-N 3.2Å; R413-A415 VanDerWaalsContact C-N 3.34Å; R413-A415 PolarHBondContact O-N 2.66Å; A415-V419 PolarHBondContact O-N 2.99Å
416	C	95	Very high	94.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.4	-44.5	175.3	-169.7	0	0	0	0	112.2	L353 C412 R413 H414 V419 C420	L353-C416 HydrophobicContact CD1-CB 4.31Å; L353-C416 HydrophobicContact CD2-CB 3.82Å; C412-C416 WeakPolarHBondContact O-CB 3.26Å; C412-C416 PolarHBondContact O-N 2.86Å; C412-C416 VanDerWaalsContact O-N 3.11Å; R413-C416 WeakPolarHBondContact O-CB 3.43Å; R413-C416 PolarHBondContact O-N 3.3Å; H414-C416 VanDerWaalsContact C-N 3.31Å; H414-C416 PolarHBondContact O-N 2.9Å; C416-V419 WeakPolarHBondContact O-CG1 3.33Å; C416-C420 WeakPolarHBondContact O-CB 3.47Å; C416-C420 PolarHBondContact O-N 2.78Å; C416-C420 PolarHBondContact O-SG 2.87Å
417	D	93.6	Very high	94.7	Very high	55 Å²	55	44.2 Å²	44.2	29%	0.294	20%	0.198	S	C	.	.	H	α-helix	trans	-66.9	-47.4	179.7	-70.4	-30.3	0	0	0	110.9	R413 H414 V419 C420 E421	R413-D417 IonicContact CZ-OD1 2.9Å; R413-D417 IonicContact CZ-OD2 3.32Å; R413-D417 IonicContact NE-OD1 3.16Å; R413-D417 PolarHBondContact NE-OD1 2.97Å; R413-D417 IonicContact NE-OD2 3.51Å; R413-D417 PolarHBondContact NE-OD2 2.85Å; R413-D417 IonicContact NH2-OD1 3.96Å; R413-D417 PolarHBondContact NH2-OD1 2.7Å; R413-D417 IonicContact NH2-OD2 2.82Å; R413-D417 PolarHBondContact NH2-OD2 3.47Å; R413-D417 PolarHBondContact O-N 3.43Å; H414-D417 PolarHBondContact O-N 2.82Å; H414-D417 VanDerWaalsContact O-N 3.14Å; D417-V419 PolarHBondContact O-N 3.09Å; D417-C420 PolarHBondContact O-N 2.71Å; D417-E421 WeakPolarHBondContact O-CG 3.32Å; D417-E421 PolarHBondContact O-N 3.21Å
418	T	92.4	Very high	94.5	Very high	38 Å²	38	47.4 Å²	47.4	23%	0.233	22%	0.219	C	C	.	.	H	α-helix	trans	-55.9	-46.6	177.2	-56.7	0	0	0	0	112	H414 E421 Y422	H414-T418 PolarHBondContact CE1-OG1 3.33Å; H414-T418 WeakPolarHBondContact O-CB 3.44Å; H414-T418 PolarHBondContact O-N 3.24Å; H414-T418 PolarHBondContact O-OG1 2.95Å; T418-E421 PolarHBondContact O-N 3.19Å; T418-Y422 VanDerWaalsContact O-CB 3.31Å; T418-Y422 WeakPolarHBondContact O-CB 3.46Å; T418-Y422 PolarHBondContact O-N 3.37Å
419	V	92.3	Very high	94.3	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.012	25%	0.246	C	C	.	.	H	α-helix	trans	-69.6	-35.2	-178.8	79.2	0	0	0	0	112.3	Y340 L351 L382 A415 C416 D417 E421 Y422 D423 I426	Y340-V419 HydrophobicContact CD1-CG2 3.99Å; Y340-V419 HydrophobicContact CD2-CG2 3.66Å; Y340-V419 HydrophobicContact CE1-CG2 4.04Å; Y340-V419 HydrophobicContact CE2-CG2 3.69Å; Y340-V419 HydrophobicContact CG-CG2 3.81Å; L351-V419 HydrophobicContact CD2-CG1 3.78Å; L382-V419 HydrophobicContact CD1-CB 4.27Å; L382-V419 HydrophobicContact CD1-CG1 4.46Å; L382-V419 HydrophobicContact CD1-CG2 4.26Å; L382-V419 HydrophobicContact CD2-CB 4.21Å; L382-V419 HydrophobicContact CD2-CG1 3.75Å; A415-V419 PolarHBondContact O-N 2.99Å; C416-V419 WeakPolarHBondContact O-CG1 3.33Å; D417-V419 PolarHBondContact O-N 3.09Å; V419-E421 VanDerWaalsContact C-N 3.32Å; V419-Y422 PolarHBondContact O-N 3.43Å; V419-D423 PolarHBondContact O-N 2.9Å; V419-I426 HydrophobicContact CB-CD1 4.38Å; V419-I426 HydrophobicContact CG1-CD1 3.87Å; V419-I426 HydrophobicContact CG2-CD1 3.87Å
420	C	93.8	Very high	94.2	Very high	21 Å²	21	55.6 Å²	55.6	14%	0.142	26%	0.258	C	S	.	.	H	α-helix	trans	-69.5	-31.2	177.6	-68.2	0	0	0	0	112.2	C416 D417	C416-C420 WeakPolarHBondContact O-CB 3.47Å; C416-C420 PolarHBondContact O-N 2.78Å; C416-C420 PolarHBondContact O-SG 2.87Å; D417-C420 PolarHBondContact O-N 2.71Å
421	E	93.1	Very high	94.3	Very high	131 Å²	131	51.8 Å²	51.8	61%	0.612	24%	0.238	S	C	*	.	H	α-helix	trans	-73.7	-41.9	173.5	-72.6	178.7	178.1	0	0	112.2	D417 T418 V419 R424	D417-E421 WeakPolarHBondContact O-CG 3.32Å; D417-E421 PolarHBondContact O-N 3.21Å; T418-E421 PolarHBondContact O-N 3.19Å; V419-E421 VanDerWaalsContact C-N 3.32Å; E421-R424 PolarHBondContact O-NE 2.99Å
422	Y	90.9	Very high	94.4	Very high	161 Å²	161	51.8 Å²	51.8	63%	0.631	24%	0.238	S	C	*	.	H	α-helix	trans	-67	-47.1	178.7	175.4	-100.7	0	0	0	112.4	E327 T418 V419	E327-Y422 WeakPolarHBondContact OE2-CE1 3.42Å; T418-Y422 VanDerWaalsContact O-CB 3.31Å; T418-Y422 WeakPolarHBondContact O-CB 3.46Å; T418-Y422 PolarHBondContact O-N 3.37Å; V419-Y422 PolarHBondContact O-N 3.43Å
423	D	92.7	Very high	94.5	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.032	24%	0.238	C	C	.	.			trans	-112.3	91.3	-175.8	-166.4	-14.4	0	0	0	112.4	Y340 Y349 V419 R425 I426	Y340-D423 HydrophobicContact CE1-CB 4.23Å; Y340-D423 WeakPolarHBondContact CE1-OD2 3.44Å; Y340-D423 PolarHBondContact OH-OD2 2.85Å; Y349-D423 VanDerWaalsContact OH-CG 3.29Å; Y349-D423 PolarHBondContact OH-OD1 3.21Å; Y349-D423 PolarHBondContact OH-OD2 3.41Å; V419-D423 PolarHBondContact O-N 2.9Å; D423-R425 VanDerWaalsContact CG-NH2 3.25Å; D423-R425 PolarHBondContact O-N 3.04Å; D423-R425 VanDerWaalsContact OD1-CB 3.32Å; D423-R425 WeakPolarHBondContact OD1-CB 3.18Å; D423-R425 IonicContact OD1-CZ 3.46Å; D423-R425 PolarHBondContact OD1-N 2.95Å; D423-R425 VanDerWaalsContact OD1-N 3.15Å; D423-R425 IonicContact OD1-NE 2.78Å; D423-R425 PolarHBondContact OD1-NE 3.5Å; D423-R425 IonicContact OD1-NH2 3.39Å; D423-R425 PolarHBondContact OD1-NH2 3.43Å; D423-R425 VanDerWaalsContact OD1-NH2 3.14Å; D423-R425 IonicContact OD2-CZ 2.91Å; D423-R425 IonicContact OD2-NE 3.56Å; D423-R425 IonicContact OD2-NH2 3.53Å; D423-R425 PolarHBondContact OD2-NH2 3.07Å; D423-I426 HydrophobicContact CB-CD1 4.07Å; D423-I426 HydrophobicContact CB-CG1 4.26Å; D423-I426 WeakPolarHBondContact O-CB 3.39Å; D423-I426 PolarHBondContact O-N 3.44Å
424	R	94.2	Very high	94.6	Very high	193 Å²	193	50.1 Å²	50.1	73%	0.728	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-4.1	-179.5	-58.9	-59.8	-175	178.4	-1.3	115.2	E421 I426	E421-R424 PolarHBondContact O-NE 2.99Å; R424-I426 VanDerWaalsContact C-N 3.34Å
425	R	95.6	Very high	94.8	Very high	82 Å²	82	47.1 Å²	47.1	31%	0.309	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-18.3	171.9	-58.5	168.9	-68.4	-149.8	-3.4	111.8	R342 D347 Q348 Y349 D423 D427	R342-R425 VanDerWaalsContact NH1-NH1 3.18Å; D347-R425 WeakPolarHBondContact O-CB 3.31Å; D347-R425 VanDerWaalsContact O-CG 3.3Å; D347-R425 WeakPolarHBondContact O-CG 3.07Å; Q348-R425 CarbonylContact C-O 3.51Å; Q348-R425 WeakPolarHBondContact CA-O 3.28Å; Y349-R425 HydrophobicContact CD1-CB 4.33Å; Y349-R425 HydrophobicContact CE1-CB 3.66Å; Y349-R425 HydrophobicContact CE2-CB 4.31Å; Y349-R425 PolarHBondContact N-O 3.08Å; Y349-R425 PolarHBondContact OH-NE 2.81Å; Y349-R425 VanDerWaalsContact OH-NE 3.08Å; D423-R425 VanDerWaalsContact CG-NH2 3.25Å; D423-R425 PolarHBondContact O-N 3.04Å; D423-R425 VanDerWaalsContact OD1-CB 3.32Å; D423-R425 WeakPolarHBondContact OD1-CB 3.18Å; D423-R425 IonicContact OD1-CZ 3.46Å; D423-R425 PolarHBondContact OD1-N 2.95Å; D423-R425 VanDerWaalsContact OD1-N 3.15Å; D423-R425 IonicContact OD1-NE 2.78Å; D423-R425 PolarHBondContact OD1-NE 3.5Å; D423-R425 IonicContact OD1-NH2 3.39Å; D423-R425 PolarHBondContact OD1-NH2 3.43Å; D423-R425 VanDerWaalsContact OD1-NH2 3.14Å; D423-R425 IonicContact OD2-CZ 2.91Å; D423-R425 IonicContact OD2-NE 3.56Å; D423-R425 IonicContact OD2-NH2 3.53Å; D423-R425 PolarHBondContact OD2-NH2 3.07Å; R425-D427 PolarHBondContact O-N 3.3Å
426	I	95.7	Very high	94.9	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	125.5	170.7	-63.6	172	0	0	0	108.1	Y340 Y349 L351 V419 D423 R424 P428	Y340-I426 HydrophobicContact CE2-CD1 4.04Å; Y349-I426 HydrophobicContact CD2-CG1 4.13Å; Y349-I426 HydrophobicContact CE2-CG1 3.63Å; L351-I426 HydrophobicContact CB-CG2 3.78Å; L351-I426 HydrophobicContact CD1-CD1 4.38Å; L351-I426 HydrophobicContact CD2-CD1 4.38Å; L351-I426 HydrophobicContact CD2-CG2 4.34Å; V419-I426 HydrophobicContact CB-CD1 4.38Å; V419-I426 HydrophobicContact CG1-CD1 3.87Å; V419-I426 HydrophobicContact CG2-CD1 3.87Å; D423-I426 HydrophobicContact CB-CD1 4.07Å; D423-I426 HydrophobicContact CB-CG1 4.26Å; D423-I426 WeakPolarHBondContact O-CB 3.39Å; D423-I426 PolarHBondContact O-N 3.44Å; R424-I426 VanDerWaalsContact C-N 3.34Å; I426-P428 VanDerWaalsContact O-CD 3.28Å; I426-P428 WeakPolarHBondContact O-CD 3.5Å
427	D	94	Very high	95	Very high	30 Å²	30	49.7 Å²	49.7	16%	0.16	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	111.6	170.4	-177.9	-12.8	0	0	0	109.9	Y349 R425 N429 R430	Y349-D427 PolarHBondContact O-N 3.49Å; R425-D427 PolarHBondContact O-N 3.3Å; D427-N429 PolarHBondContact O-N 2.87Å; D427-N429 VanDerWaalsContact O-N 3.08Å; D427-N429 WeakPolarHBondContact OD1-CB 3.17Å; D427-N429 PolarHBondContact OD1-N 3.16Å; D427-R430 HydrophobicContact CB-CB 4.18Å; D427-R430 PolarHBondContact O-N 2.85Å; D427-R430 IonicContact OD2-CZ 3.29Å; D427-R430 VanDerWaalsContact OD2-CZ 3.29Å; D427-R430 IonicContact OD2-NE 2.69Å; D427-R430 PolarHBondContact OD2-NE 2.81Å; D427-R430 IonicContact OD2-NH2 3.07Å; D427-R430 PolarHBondContact OD2-NH2 2.77Å; D427-R430 VanDerWaalsContact OD2-NH2 3.07Å
428	P	92.1	Very high	95.2	Very high	81 Å²	81	47.1 Å²	47.1	53%	0.526	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	-14.7	-176.6	28.9	-36.2	0	0	0	113.1	I426	I426-P428 VanDerWaalsContact O-CD 3.28Å; I426-P428 WeakPolarHBondContact O-CD 3.5Å
429	N	92.7	Very high	95.5	Very high	103 Å²	103	45.3 Å²	45.3	55%	0.551	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	-6	175.8	-61.3	-64.3	0	0	0	113.2	D427 R455	D427-N429 PolarHBondContact O-N 2.87Å; D427-N429 VanDerWaalsContact O-N 3.08Å; D427-N429 WeakPolarHBondContact OD1-CB 3.17Å; D427-N429 PolarHBondContact OD1-N 3.16Å; N429-R455 WeakPolarHBondContact O-CG 3.34Å; N429-R455 PolarHBondContact O-NE 3.15Å
430	R	95.6	Very high	95.8	Very high	70 Å²	70	45.2 Å²	45.2	26%	0.264	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	62.6	-177.8	-70.1	-171.8	-69.9	166.5	-2.2	110.9	P350 L351 D427 L581	P350-R430 CarbonylContact C-O 3.57Å; P350-R430 VanDerWaalsContact CA-O 3.23Å; P350-R430 WeakPolarHBondContact CA-O 3.38Å; P350-R430 HydrophobicContact CB-CB 3.91Å; P350-R430 VanDerWaalsContact CB-O 3.31Å; P350-R430 WeakPolarHBondContact CB-O 3.23Å; L351-R430 PolarHBondContact N-O 3.06Å; D427-R430 HydrophobicContact CB-CB 4.18Å; D427-R430 PolarHBondContact O-N 2.85Å; D427-R430 IonicContact OD2-CZ 3.29Å; D427-R430 VanDerWaalsContact OD2-CZ 3.29Å; D427-R430 IonicContact OD2-NE 2.69Å; D427-R430 PolarHBondContact OD2-NE 2.81Å; D427-R430 IonicContact OD2-NH2 3.07Å; D427-R430 PolarHBondContact OD2-NH2 2.77Å; D427-R430 VanDerWaalsContact OD2-NH2 3.07Å; R430-L581 HydrophobicContact CB-CD2 3.85Å; R430-L581 VanDerWaalsContact CD-O 3.28Å; R430-L581 WeakPolarHBondContact CD-O 3.12Å; R430-L581 HydrophobicContact CG-CD2 4.48Å; R430-L581 WeakPolarHBondContact CG-O 3.47Å
431	I	98	Very high	96	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.036	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127.4	174.1	-49.2	180	0	0	0	109.7	L351 F454 R455	L351-I431 HydrophobicContact CB-CG1 4.37Å; L351-I431 HydrophobicContact CB-CG2 4.36Å; L351-I431 HydrophobicContact CD2-CG2 4.22Å; L351-I431 HydrophobicContact CG-CG2 4.37Å; L351-I431 CarbonylContact O-C 3.53Å; L351-I431 WeakPolarHBondContact O-CA 3.37Å; I431-F454 HydrophobicContact CB-CD1 4.24Å; I431-F454 HydrophobicContact CG2-CD1 3.75Å; I431-F454 HydrophobicContact CG2-CE1 3.92Å; I431-F454 WeakPolarHBondContact O-CA 3.26Å; I431-R455 PolarHBondContact O-N 3.45Å
432	A	98.6	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	158.9	173	0	0	0	0	0	110.9	L351 I352 L353 A456 I577 L581	L351-A432 PolarHBondContact O-N 3.49Å; I352-A432 CarbonylContact C-O 3.52Å; I352-A432 WeakPolarHBondContact CA-O 3.47Å; I352-A432 HydrophobicContact CG1-CB 4.42Å; L353-A432 PolarHBondContact N-O 3.11Å; A432-A456 CarbonylContact C-O 3.58Å; A432-A456 VanDerWaalsContact CA-O 3.29Å; A432-A456 WeakPolarHBondContact CA-O 3.15Å; A432-A456 HydrophobicContact CB-CB 3.98Å; A432-I577 HydrophobicContact CB-CD1 4.45Å; A432-I577 HydrophobicContact CB-CG1 4.15Å; A432-I577 HydrophobicContact CB-CG2 3.89Å; A432-L581 HydrophobicContact CB-CD1 4.12Å; A432-L581 HydrophobicContact CB-CD2 4.27Å; A432-L581 HydrophobicContact CB-CG 4.4Å
433	L	98.8	Very high	96.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.3	174.2	-72.1	160.2	0	0	0	110.1	L353 A443 L446 I447 F454 A456 C457 V458	L353-L433 HydrophobicContact CB-CD2 3.96Å; L353-L433 HydrophobicContact CD2-CD2 3.78Å; L353-L433 HydrophobicContact CG-CD2 3.98Å; L353-L433 WeakPolarHBondContact O-CA 3.44Å; L433-A443 HydrophobicContact CB-CB 4.09Å; L433-L446 HydrophobicContact CD1-CB 3.8Å; L433-L446 HydrophobicContact CD2-CB 4.19Å; L433-L446 HydrophobicContact CD2-CD1 3.55Å; L433-I447 HydrophobicContact CD1-CG2 3.35Å; L433-F454 HydrophobicContact CD1-CB 3.91Å; L433-F454 HydrophobicContact CD1-CD1 3.75Å; L433-F454 HydrophobicContact CD1-CD2 3.73Å; L433-F454 HydrophobicContact CD1-CE1 4.16Å; L433-F454 HydrophobicContact CD1-CE2 4.14Å; L433-F454 HydrophobicContact CD1-CG 3.51Å; L433-F454 HydrophobicContact CD1-CZ 4.33Å; L433-F454 HydrophobicContact CD2-CD1 4.13Å; L433-F454 HydrophobicContact CD2-CE1 3.95Å; L433-F454 HydrophobicContact CD2-CZ 4.36Å; L433-F454 HydrophobicContact CG-CB 4.39Å; L433-F454 HydrophobicContact CG-CD1 3.67Å; L433-F454 HydrophobicContact CG-CE1 4.02Å; L433-F454 HydrophobicContact CG-CG 3.95Å; L433-A456 PolarHBondContact N-O 3.18Å; L433-C457 HydrophobicContact CB-CB 4.39Å; L433-C457 CarbonylContact O-C 3.58Å; L433-C457 WeakPolarHBondContact O-CA 3.15Å; L433-V458 PolarHBondContact O-N 3.39Å
434	F	98.8	Very high	97	Very high	4 Å²	4	30 Å²	30	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.7	168	-167.4	-64.4	0	0	0	108.4	I352 L353 W354 P355 F374 V458 F569 A573 I577	I352-F434 HydrophobicContact CG2-CB 3.8Å; L353-F434 PolarHBondContact O-N 2.74Å; L353-F434 VanDerWaalsContact O-N 3.1Å; W354-F434 WeakPolarHBondContact CA-O 3.27Å; W354-F434 HydrophobicContact CD2-CB 3.98Å; W354-F434 AromaticContact CD2-CD1 3.94Å; W354-F434 HydrophobicContact CD2-CD1 3.94Å; W354-F434 HydrophobicContact CD2-CG 4.1Å; W354-F434 AromaticContact CE2-CD1 3.21Å; W354-F434 AromaticContact CE2-CE1 3.73Å; W354-F434 AromaticContact CE2-CG 3.82Å; W354-F434 HydrophobicContact CE3-CB 4.3Å; W354-F434 HydrophobicContact CE3-CG 4.4Å; W354-F434 HydrophobicContact CG-CB 4.15Å; W354-F434 HydrophobicContact CG-CD1 4.43Å; W354-F434 AromaticContact CH2-CD1 3.97Å; W354-F434 HydrophobicContact CH2-CD1 3.97Å; W354-F434 HydrophobicContact CH2-CD2 4.35Å; W354-F434 AromaticContact CH2-CE1 4Å; W354-F434 HydrophobicContact CH2-CE1 4Å; W354-F434 HydrophobicContact CH2-CE2 4.35Å; W354-F434 HydrophobicContact CH2-CG 4.17Å; W354-F434 HydrophobicContact CH2-CZ 4.19Å; W354-F434 AromaticContact CZ2-CD1 3.26Å; W354-F434 HydrophobicContact CZ2-CD1 3.26Å; W354-F434 HydrophobicContact CZ2-CD2 4.43Å; W354-F434 AromaticContact CZ2-CE1 3.29Å; W354-F434 HydrophobicContact CZ2-CE1 3.29Å; W354-F434 HydrophobicContact CZ2-CE2 4.42Å; W354-F434 AromaticContact CZ2-CG 3.89Å; W354-F434 HydrophobicContact CZ2-CG 3.89Å; W354-F434 AromaticContact CZ2-CZ 3.91Å; W354-F434 HydrophobicContact CZ2-CZ 3.91Å; W354-F434 HydrophobicContact CZ3-CG 4.43Å; W354-F434 AromaticContact NE1-CD1 3.32Å; W354-F434 VanDerWaalsContact NE1-CD1 3.32Å; W354-F434 AromaticContact NE1-CE1 3.95Å; P355-F434 WeakPolarHBondContact CD-O 3.22Å; F374-F434 HydrophobicContact CE2-CD2 4.39Å; F374-F434 HydrophobicContact CE2-CE2 4.29Å; F374-F434 HydrophobicContact CZ-CD2 4.42Å; F374-F434 HydrophobicContact CZ-CE2 4.43Å; F434-V458 WeakPolarHBondContact CA-O 3.43Å; F434-V458 HydrophobicContact CD2-CB 3.89Å; F434-V458 HydrophobicContact CD2-CG1 3.93Å; F434-V458 HydrophobicContact CD2-CG2 4.4Å; F434-V458 HydrophobicContact CE2-CB 4.31Å; F434-V458 HydrophobicContact CE2-CG1 3.83Å; F434-V458 HydrophobicContact CG-CB 4.32Å; F434-V458 HydrophobicContact CZ-CG1 4.32Å; F434-F569 HydrophobicContact CZ-CE2 4.28Å; F434-A573 HydrophobicContact CD2-CB 4.31Å; F434-A573 HydrophobicContact CE2-CB 3.65Å; F434-I577 HydrophobicContact CD2-CD1 4.25Å
435	G	98.3	Very high	97.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	150.8	175.8	0	0	0	0	0	112.9	G440 V458 A459 L460	G435-G440 VanDerWaalsContact C-N 3.35Å; G435-V458 PolarHBondContact N-O 3.24Å; G435-A459 WeakPolarHBondContact O-CA 3.49Å; G435-L460 PolarHBondContact O-N 3.34Å
436	A	97.5	Very high	97.3	Very high	32 Å²	32	17 Å²	17	26%	0.264	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.7	175.4	0	0	0	0	0	110.8	G357 H438 G439 G440 L460	G357-A436 WeakPolarHBondContact CA-O 3.48Å; A436-H438 PolarHBondContact O-N 3.02Å; A436-G439 WeakPolarHBondContact O-CA 3.4Å; A436-G439 PolarHBondContact O-N 2.82Å; A436-G440 PolarHBondContact O-N 2.97Å; A436-L460 CarbonylContact C-O 3.51Å; A436-L460 WeakPolarHBondContact CA-O 3.46Å; A436-L460 HydrophobicContact CB-CB 3.96Å; A436-L460 HydrophobicContact CB-CD2 4.03Å; A436-L460 HydrophobicContact CB-CG 4.45Å
437	S	96.9	Very high	97.5	Very high	22 Å²	22	16.7 Å²	16.7	15%	0.154	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	-122.5	177.8	-169.6	0	0	0	0	111.3	G439 G440 F441 L460 N461 H558	S437-G439 VanDerWaalsContact C-N 3.27Å; S437-G439 PolarHBondContact O-N 2.94Å; S437-G440 CarbonylContact O-C 3.59Å; S437-G440 WeakPolarHBondContact O-CA 3.24Å; S437-G440 PolarHBondContact O-N 3.31Å; S437-F441 PolarHBondContact O-N 3.15Å; S437-L460 PolarHBondContact N-O 3.49Å; S437-N461 WeakPolarHBondContact CA-O 3.47Å; S437-H558 WeakPolarHBondContact CB-NE2 3.43Å; S437-H558 PolarHBondContact OG-CE1 2.88Å; S437-H558 PolarHBondContact OG-NE2 2.85Å
438	H	98	Very high	97.7	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-55.9	-36.1	170.1	-161.9	108.2	0	0	0	113.6	P359 Y386 D408 A436 G440 F441 L442 W478	P359-H438 WeakPolarHBondContact CB-ND1 3.35Å; P359-H438 WeakPolarHBondContact CD-ND1 3.47Å; P359-H438 VanDerWaalsContact CG-ND1 3.35Å; P359-H438 WeakPolarHBondContact CG-ND1 3.3Å; Y386-H438 PolarHBondContact OH-CD2 3.33Å; D408-H438 IonicContact OD2-CD2 2.6Å; D408-H438 IonicContact OD2-CE1 3.83Å; D408-H438 IonicContact OD2-NE2 3.78Å; D408-H438 PolarHBondContact OD2-NE2 3.43Å; A436-H438 PolarHBondContact O-N 3.02Å; H438-G440 PolarHBondContact O-N 2.87Å; H438-F441 AromaticContact CD2-CD1 3.94Å; H438-F441 AromaticContact NE2-CD1 3.7Å; H438-F441 AromaticContact NE2-CE1 3.83Å; H438-F441 CarbonylContact O-C 3.46Å; H438-F441 WeakPolarHBondContact O-CA 3.47Å; H438-F441 VanDerWaalsContact O-CB 3.23Å; H438-F441 WeakPolarHBondContact O-CB 3.29Å; H438-F441 PolarHBondContact O-N 3.29Å; H438-F441 VanDerWaalsContact O-N 3.13Å; H438-L442 WeakPolarHBondContact O-CG 3.11Å; H438-L442 PolarHBondContact O-N 3.11Å; H438-W478 AromaticContact ND1-CZ2 3.39Å; H438-W478 WeakPolarHBondContact ND1-CZ2 3.13Å
439	G	98.3	Very high	98	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-66.1	-32	174.8	0	0	0	0	0	111.4	P355 H356 A436 S437 L442 A443	P355-G439 WeakPolarHBondContact CG-O 3.3Å; H356-G439 VanDerWaalsContact O-CA 3.26Å; H356-G439 WeakPolarHBondContact O-CA 3.3Å; H356-G439 PolarHBondContact O-N 3.37Å; H356-G439 VanDerWaalsContact O-N 3.15Å; A436-G439 WeakPolarHBondContact O-CA 3.4Å; A436-G439 PolarHBondContact O-N 2.82Å; S437-G439 VanDerWaalsContact C-N 3.27Å; S437-G439 PolarHBondContact O-N 2.94Å; G439-L442 PolarHBondContact O-N 3.13Å; G439-A443 WeakPolarHBondContact O-CB 3.35Å; G439-A443 PolarHBondContact O-N 2.91Å
440	G	98.4	Very high	98.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-68.5	-40.8	170.8	0	0	0	0	0	111.9	G435 A436 S437 H438 L442 A443 L444	G435-G440 VanDerWaalsContact C-N 3.35Å; A436-G440 PolarHBondContact O-N 2.97Å; S437-G440 CarbonylContact O-C 3.59Å; S437-G440 WeakPolarHBondContact O-CA 3.24Å; S437-G440 PolarHBondContact O-N 3.31Å; H438-G440 PolarHBondContact O-N 2.87Å; G440-L442 VanDerWaalsContact C-N 3.32Å; G440-L442 PolarHBondContact O-N 3.34Å; G440-A443 WeakPolarHBondContact O-CB 3.33Å; G440-A443 PolarHBondContact O-N 3.38Å; G440-L444 WeakPolarHBondContact O-CG 3.42Å; G440-L444 PolarHBondContact O-N 3.47Å
441	F	98.7	Very high	97.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-57.1	-43.5	170.3	162.5	-89.1	0	0	0	112.4	V404 S437 H438 L444 H445 V463 I466 A505 P507	V404-F441 HydrophobicContact CB-CE1 4.21Å; V404-F441 HydrophobicContact CB-CZ 4.25Å; V404-F441 HydrophobicContact CG2-CZ 4.17Å; S437-F441 PolarHBondContact O-N 3.15Å; H438-F441 AromaticContact CD2-CD1 3.94Å; H438-F441 AromaticContact NE2-CD1 3.7Å; H438-F441 AromaticContact NE2-CE1 3.83Å; H438-F441 CarbonylContact O-C 3.46Å; H438-F441 WeakPolarHBondContact O-CA 3.47Å; H438-F441 VanDerWaalsContact O-CB 3.23Å; H438-F441 WeakPolarHBondContact O-CB 3.29Å; H438-F441 PolarHBondContact O-N 3.29Å; H438-F441 VanDerWaalsContact O-N 3.13Å; F441-L444 PolarHBondContact O-N 3.16Å; F441-H445 AromaticContact CD1-CD2 3.85Å; F441-H445 AromaticContact CE1-CD2 3.48Å; F441-H445 VanDerWaalsContact CE1-CD2 3.48Å; F441-H445 WeakPolarHBondContact CE1-CD2 3.4Å; F441-H445 AromaticContact CE1-NE2 3.76Å; F441-H445 AromaticContact CE2-CD2 3.69Å; F441-H445 AromaticContact CE2-NE2 3.4Å; F441-H445 WeakPolarHBondContact CE2-NE2 3.48Å; F441-H445 AromaticContact CZ-CD2 3.4Å; F441-H445 WeakPolarHBondContact CZ-CD2 3.15Å; F441-H445 AromaticContact CZ-NE2 3.17Å; F441-H445 WeakPolarHBondContact CZ-NE2 3.42Å; F441-H445 PolarHBondContact O-CD2 3.17Å; F441-H445 PolarHBondContact O-N 2.95Å; F441-V463 WeakPolarHBondContact CA-O 3.28Å; F441-V463 HydrophobicContact CB-CB 3.95Å; F441-V463 WeakPolarHBondContact CB-O 3.23Å; F441-V463 HydrophobicContact CD2-CB 4.07Å; F441-V463 HydrophobicContact CD2-CG1 4.13Å; F441-V463 HydrophobicContact CG-CB 4.4Å; F441-I466 HydrophobicContact CE2-CD1 3.82Å; F441-I466 HydrophobicContact CE2-CG1 4.18Å; F441-I466 HydrophobicContact CZ-CD1 4.15Å; F441-A505 WeakPolarHBondContact CE2-O 3.41Å; F441-A505 WeakPolarHBondContact CZ-O 3.49Å; F441-P507 HydrophobicContact CD2-CG 3.94Å; F441-P507 HydrophobicContact CE2-CG 4.39Å
442	L	98.8	Very high	97.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.1	-43.4	174.2	-70.2	175.4	0	0	0	112.3	P355 Y386 D408 V409 H438 G439 G440 L444 H445 L446	P355-L442 HydrophobicContact CB-CB 4.07Å; P355-L442 HydrophobicContact CB-CD1 3.59Å; P355-L442 HydrophobicContact CB-CG 4.48Å; P355-L442 HydrophobicContact CG-CB 3.73Å; P355-L442 HydrophobicContact CG-CD1 4.23Å; Y386-L442 HydrophobicContact CD1-CD1 3.8Å; Y386-L442 HydrophobicContact CE1-CD1 3.34Å; Y386-L442 HydrophobicContact CE2-CD1 4.4Å; Y386-L442 HydrophobicContact CG-CD1 4.5Å; D408-L442 HydrophobicContact CB-CD1 4.29Å; D408-L442 HydrophobicContact CB-CD2 3.81Å; D408-L442 VanDerWaalsContact CG-CD2 3.44Å; D408-L442 WeakPolarHBondContact OD2-CD2 3.45Å; V409-L442 HydrophobicContact CB-CD2 4.44Å; V409-L442 HydrophobicContact CG2-CD2 3.51Å; H438-L442 WeakPolarHBondContact O-CG 3.11Å; H438-L442 PolarHBondContact O-N 3.11Å; G439-L442 PolarHBondContact O-N 3.13Å; G440-L442 VanDerWaalsContact C-N 3.32Å; G440-L442 PolarHBondContact O-N 3.34Å; L442-L444 VanDerWaalsContact C-N 3.29Å; L442-L444 PolarHBondContact O-N 3.22Å; L442-H445 PolarHBondContact O-N 3.25Å; L442-L446 WeakPolarHBondContact O-CB 3.36Å; L442-L446 WeakPolarHBondContact O-CD1 3.48Å; L442-L446 WeakPolarHBondContact O-CG 3.43Å; L442-L446 PolarHBondContact O-N 2.81Å
443	A	98.8	Very high	97.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.8	-41.4	175	0	0	0	0	0	111.6	L433 G439 G440 L446 I447	L433-A443 HydrophobicContact CB-CB 4.09Å; G439-A443 WeakPolarHBondContact O-CB 3.35Å; G439-A443 PolarHBondContact O-N 2.91Å; G440-A443 WeakPolarHBondContact O-CB 3.33Å; G440-A443 PolarHBondContact O-N 3.38Å; A443-L446 PolarHBondContact O-N 3.06Å; A443-I447 WeakPolarHBondContact O-CG1 3.33Å; A443-I447 PolarHBondContact O-N 3.18Å; A443-I447 VanDerWaalsContact O-N 3.15Å
444	L	98.8	Very high	97.2	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-69.3	-38.5	176.6	-65.8	-176.8	0	0	0	112.8	G440 F441 L442 I447 G448 A459 P462 T464 P507 T518 F520 F537	G440-L444 WeakPolarHBondContact O-CG 3.42Å; G440-L444 PolarHBondContact O-N 3.47Å; F441-L444 PolarHBondContact O-N 3.16Å; L442-L444 VanDerWaalsContact C-N 3.29Å; L442-L444 PolarHBondContact O-N 3.22Å; L444-I447 HydrophobicContact CD2-CD1 3.85Å; L444-I447 VanDerWaalsContact O-CG1 3.24Å; L444-I447 WeakPolarHBondContact O-CG1 2.82Å; L444-G448 PolarHBondContact O-N 3.07Å; L444-G448 VanDerWaalsContact O-N 3.13Å; L444-A459 HydrophobicContact CD2-CB 4.28Å; L444-A459 HydrophobicContact CG-CB 4.5Å; L444-P462 HydrophobicContact CD1-CB 3.85Å; L444-P462 HydrophobicContact CD1-CG 3.99Å; L444-P462 HydrophobicContact CG-CB 4.42Å; L444-T464 HydrophobicContact CD1-CG2 3.69Å; L444-P507 HydrophobicContact CB-CB 3.74Å; L444-P507 HydrophobicContact CB-CG 3.91Å; L444-P507 HydrophobicContact CD1-CG 4.49Å; L444-T518 HydrophobicContact CD2-CG2 4.27Å; L444-F520 HydrophobicContact CD1-CE1 4.31Å; L444-F520 HydrophobicContact CD2-CE1 4.16Å; L444-F520 HydrophobicContact CD2-CZ 4.19Å; L444-F537 HydrophobicContact CB-CE2 4.25Å; L444-F537 HydrophobicContact CB-CZ 4.15Å; L444-F537 HydrophobicContact CD1-CD2 4.25Å; L444-F537 HydrophobicContact CD1-CE2 4.23Å; L444-F537 HydrophobicContact CD1-CG 4.47Å; L444-F537 HydrophobicContact CD1-CZ 4.43Å; L444-F537 HydrophobicContact CD2-CD1 4.43Å; L444-F537 HydrophobicContact CD2-CE1 3.93Å; L444-F537 HydrophobicContact CD2-CZ 4.05Å; L444-F537 HydrophobicContact CG-CZ 4.44Å
445	H	98.8	Very high	97.1	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-62.2	-44.6	171.6	-93.2	-61.5	0	0	0	111.7	G405 V409 F441 L442 I447 G448 Q449 A505 P507 Y510	G405-H445 VanDerWaalsContact CA-NE2 3.27Å; G405-H445 WeakPolarHBondContact CA-NE2 3.26Å; V409-H445 HydrophobicContact CG1-CB 4.34Å; V409-H445 HydrophobicContact CG2-CB 3.51Å; F441-H445 AromaticContact CD1-CD2 3.85Å; F441-H445 AromaticContact CE1-CD2 3.48Å; F441-H445 VanDerWaalsContact CE1-CD2 3.48Å; F441-H445 WeakPolarHBondContact CE1-CD2 3.4Å; F441-H445 AromaticContact CE1-NE2 3.76Å; F441-H445 AromaticContact CE2-CD2 3.69Å; F441-H445 AromaticContact CE2-NE2 3.4Å; F441-H445 WeakPolarHBondContact CE2-NE2 3.48Å; F441-H445 AromaticContact CZ-CD2 3.4Å; F441-H445 WeakPolarHBondContact CZ-CD2 3.15Å; F441-H445 AromaticContact CZ-NE2 3.17Å; F441-H445 WeakPolarHBondContact CZ-NE2 3.42Å; F441-H445 PolarHBondContact O-CD2 3.17Å; F441-H445 PolarHBondContact O-N 2.95Å; L442-H445 PolarHBondContact O-N 3.25Å; H445-I447 PolarHBondContact O-N 3.16Å; H445-G448 PolarHBondContact O-N 3.36Å; H445-G448 VanDerWaalsContact O-N 3.16Å; H445-Q449 PolarHBondContact ND1-NE2 2.95Å; H445-Q449 VanDerWaalsContact O-CB 3.32Å; H445-Q449 WeakPolarHBondContact O-CB 3.5Å; H445-Q449 WeakPolarHBondContact O-CG 3.3Å; H445-Q449 PolarHBondContact O-N 3Å; H445-A505 PolarHBondContact CE1-O 2.99Å; H445-A505 PolarHBondContact NE2-O 3.02Å; H445-P507 HydrophobicContact CB-CB 4.37Å; H445-P507 VanDerWaalsContact CE1-N 3.35Å; H445-P507 WeakPolarHBondContact NE2-CD 3.15Å; H445-Y510 AromaticContact CE1-CE2 3.86Å; H445-Y510 AromaticContact ND1-CD2 3.67Å; H445-Y510 AromaticContact ND1-CE2 3.6Å
446	L	98.8	Very high	97.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.5	-43.6	-178.2	-73.7	162.9	0	0	0	111.9	L353 V409 C412 R413 L433 L442 A443 G448 F450 F454	L353-L446 HydrophobicContact CD2-CD1 3.97Å; V409-L446 HydrophobicContact CG1-CD2 4.08Å; V409-L446 HydrophobicContact CG1-CG 4.46Å; C412-L446 HydrophobicContact CB-CD1 3.98Å; C412-L446 HydrophobicContact CB-CD2 4.37Å; R413-L446 HydrophobicContact CB-CD2 4.3Å; L433-L446 HydrophobicContact CD1-CB 3.8Å; L433-L446 HydrophobicContact CD2-CB 4.19Å; L433-L446 HydrophobicContact CD2-CD1 3.55Å; L442-L446 WeakPolarHBondContact O-CB 3.36Å; L442-L446 WeakPolarHBondContact O-CD1 3.48Å; L442-L446 WeakPolarHBondContact O-CG 3.43Å; L442-L446 PolarHBondContact O-N 2.81Å; A443-L446 PolarHBondContact O-N 3.06Å; L446-G448 VanDerWaalsContact C-N 3.32Å; L446-G448 PolarHBondContact O-N 3.39Å; L446-F450 HydrophobicContact CD2-CD2 3.98Å; L446-F450 HydrophobicContact CD2-CE2 4.08Å; L446-F450 WeakPolarHBondContact O-CA 3.12Å; L446-F450 WeakPolarHBondContact O-CB 3.19Å; L446-F450 PolarHBondContact O-N 3.4Å; L446-F454 HydrophobicContact CB-CD2 4.45Å; L446-F454 HydrophobicContact CB-CE2 3.77Å; L446-F454 HydrophobicContact CB-CZ 4.08Å; L446-F454 HydrophobicContact CD2-CE2 4.45Å; L446-F454 HydrophobicContact CD2-CZ 4.22Å
447	I	98.5	Very high	97.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-71.5	-24.2	175.6	63.2	178.5	0	0	0	114	L433 A443 L444 H445 F454 C457 V514 T516	L433-I447 HydrophobicContact CD1-CG2 3.35Å; A443-I447 WeakPolarHBondContact O-CG1 3.33Å; A443-I447 PolarHBondContact O-N 3.18Å; A443-I447 VanDerWaalsContact O-N 3.15Å; L444-I447 HydrophobicContact CD2-CD1 3.85Å; L444-I447 VanDerWaalsContact O-CG1 3.24Å; L444-I447 WeakPolarHBondContact O-CG1 2.82Å; H445-I447 PolarHBondContact O-N 3.16Å; I447-F454 HydrophobicContact CG2-CB 4.23Å; I447-F454 HydrophobicContact CG2-CD2 4.37Å; I447-C457 HydrophobicContact CD1-CB 4.17Å; I447-C457 HydrophobicContact CG2-CB 3.98Å; I447-V514 HydrophobicContact CB-CG1 4.38Å; I447-V514 HydrophobicContact CD1-CG1 3.7Å; I447-V514 HydrophobicContact CD1-CG2 4.33Å; I447-V514 HydrophobicContact CG1-CG1 4.04Å; I447-V514 HydrophobicContact CG1-CG2 4.02Å; I447-T516 HydrophobicContact CG2-CG2 3.81Å
448	G	98.2	Very high	97.3	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-85.2	-43.2	178.8	0	0	0	0	0	113.5	L444 H445 L446 K513	L444-G448 PolarHBondContact O-N 3.07Å; L444-G448 VanDerWaalsContact O-N 3.13Å; H445-G448 PolarHBondContact O-N 3.36Å; H445-G448 VanDerWaalsContact O-N 3.16Å; L446-G448 VanDerWaalsContact C-N 3.32Å; L446-G448 PolarHBondContact O-N 3.39Å; G448-K513 WeakPolarHBondContact O-CB 3.41Å
449	Q	98.1	Very high	97.3	Very high	65 Å²	65	22.4 Å²	22.4	30%	0.304	10%	0.102	S	C	.	.	H	α-helix	trans	-82.2	-33.8	-178.4	-63.6	-171.2	46.3	0	0	112.4	G405 H445 Y510	G405-Q449 PolarHBondContact O-NE2 3.43Å; H445-Q449 PolarHBondContact ND1-NE2 2.95Å; H445-Q449 VanDerWaalsContact O-CB 3.32Å; H445-Q449 WeakPolarHBondContact O-CB 3.5Å; H445-Q449 WeakPolarHBondContact O-CG 3.3Å; H445-Q449 PolarHBondContact O-N 3Å; Q449-Y510 HydrophobicContact CG-CD1 4.38Å; Q449-Y510 HydrophobicContact CG-CD2 3.51Å; Q449-Y510 HydrophobicContact CG-CE1 4.32Å; Q449-Y510 HydrophobicContact CG-CE2 3.42Å; Q449-Y510 VanDerWaalsContact CG-CE2 3.42Å; Q449-Y510 HydrophobicContact CG-CG 4.01Å
450	F	97.2	Very high	97.3	Very high	51 Å²	51	22.9 Å²	22.9	22%	0.224	10%	0.104	C	C	.	.	S	Bend	trans	-119.3	58.5	179.7	-50.8	-83.8	0	0	0	110.9	V409 R413 L446 N453 F454	V409-F450 HydrophobicContact CG1-CE2 3.89Å; R413-F450 HydrophobicContact CB-CE2 4.01Å; R413-F450 HydrophobicContact CB-CZ 3.99Å; R413-F450 HydrophobicContact CG-CD1 4.4Å; R413-F450 HydrophobicContact CG-CE1 3.91Å; R413-F450 HydrophobicContact CG-CE2 4.09Å; R413-F450 HydrophobicContact CG-CZ 3.75Å; L446-F450 HydrophobicContact CD2-CD2 3.98Å; L446-F450 HydrophobicContact CD2-CE2 4.08Å; L446-F450 WeakPolarHBondContact O-CA 3.12Å; L446-F450 WeakPolarHBondContact O-CB 3.19Å; L446-F450 PolarHBondContact O-N 3.4Å; F450-N453 HydrophobicContact CB-CB 4.31Å; F450-N453 WeakPolarHBondContact O-CB 3.04Å; F450-N453 PolarHBondContact O-N 2.73Å; F450-N453 PolarHBondContact O-OD1 2.84Å; F450-F454 HydrophobicContact CB-CE2 4.13Å
451	A	90.6	Very high	97.2	Very high	35 Å²	35	23 Å²	23	29%	0.289	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	141.3	-178.4	0	0	0	0	0	111.8	N453 K513	A451-N453 PolarHBondContact O-N 3.19Å; A451-N453 PolarHBondContact O-OD1 2.9Å; A451-K513 WeakPolarHBondContact CB-O 3.42Å
452	R	89.1	Confident	97.2	Very high	200 Å²	200	23 Å²	23	76%	0.755	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.9	-7.1	-178.1	-50.1	176.6	177	-176.8	-1.5	116.3	F454	R452-F454 VanDerWaalsContact C-N 3.27Å; R452-F454 PolarHBondContact O-N 2.64Å
453	N	93.7	Very high	97.2	Very high	67 Å²	67	23 Å²	23	36%	0.358	11%	0.105	S	C	.	.	S	Bend	trans	-77.6	-15.6	175.3	-65.4	48.5	0	0	0	112.7	R413 F450 A451	R413-N453 PolarHBondContact NH1-ND2 2.73Å; R413-N453 PolarHBondContact NH2-ND2 3.4Å; F450-N453 HydrophobicContact CB-CB 4.31Å; F450-N453 WeakPolarHBondContact O-CB 3.04Å; F450-N453 PolarHBondContact O-N 2.73Å; F450-N453 PolarHBondContact O-OD1 2.84Å; A451-N453 PolarHBondContact O-N 3.19Å; A451-N453 PolarHBondContact O-OD1 2.9Å
454	F	97.3	Very high	97.2	Very high	4 Å²	4	23 Å²	23	2%	0.018	11%	0.105	C	C	.	.			trans	-126.1	134.8	-177.6	-54	-78.4	0	0	0	110.9	L353 I431 L433 L446 I447 F450 R452 T516	L353-F454 HydrophobicContact CD2-CE1 4.02Å; L353-F454 HydrophobicContact CD2-CZ 4.29Å; I431-F454 HydrophobicContact CB-CD1 4.24Å; I431-F454 HydrophobicContact CG2-CD1 3.75Å; I431-F454 HydrophobicContact CG2-CE1 3.92Å; I431-F454 WeakPolarHBondContact O-CA 3.26Å; L433-F454 HydrophobicContact CD1-CB 3.91Å; L433-F454 HydrophobicContact CD1-CD1 3.75Å; L433-F454 HydrophobicContact CD1-CD2 3.73Å; L433-F454 HydrophobicContact CD1-CE1 4.16Å; L433-F454 HydrophobicContact CD1-CE2 4.14Å; L433-F454 HydrophobicContact CD1-CG 3.51Å; L433-F454 HydrophobicContact CD1-CZ 4.33Å; L433-F454 HydrophobicContact CD2-CD1 4.13Å; L433-F454 HydrophobicContact CD2-CE1 3.95Å; L433-F454 HydrophobicContact CD2-CZ 4.36Å; L433-F454 HydrophobicContact CG-CB 4.39Å; L433-F454 HydrophobicContact CG-CD1 3.67Å; L433-F454 HydrophobicContact CG-CE1 4.02Å; L433-F454 HydrophobicContact CG-CG 3.95Å; L446-F454 HydrophobicContact CB-CD2 4.45Å; L446-F454 HydrophobicContact CB-CE2 3.77Å; L446-F454 HydrophobicContact CB-CZ 4.08Å; L446-F454 HydrophobicContact CD2-CE2 4.45Å; L446-F454 HydrophobicContact CD2-CZ 4.22Å; I447-F454 HydrophobicContact CG2-CB 4.23Å; I447-F454 HydrophobicContact CG2-CD2 4.37Å; F450-F454 HydrophobicContact CB-CE2 4.13Å; R452-F454 VanDerWaalsContact C-N 3.27Å; R452-F454 PolarHBondContact O-N 2.64Å; F454-T516 HydrophobicContact CB-CG2 4.29Å; F454-T516 VanDerWaalsContact O-CG2 3.25Å; F454-T516 WeakPolarHBondContact O-CG2 3.39Å; F454-T516 PolarHBondContact O-OG1 3.42Å
455	R	96.9	Very high	97.1	Very high	47 Å²	47	23.4 Å²	23.4	18%	0.177	11%	0.107	C	C	.	.	S	Bend	trans	-92.9	-25.6	-175.5	-69.9	-64.7	179.5	-170.5	-7.5	114.4	N429 I431 P517 W580 L581 Q588	N429-R455 WeakPolarHBondContact O-CG 3.34Å; N429-R455 PolarHBondContact O-NE 3.15Å; I431-R455 PolarHBondContact O-N 3.45Å; R455-P517 WeakPolarHBondContact O-CD 3.03Å; R455-W580 WeakPolarHBondContact O-CB 3.44Å; R455-L581 HydrophobicContact CB-CD2 3.78Å; R455-L581 HydrophobicContact CG-CD2 4.35Å; R455-Q588 VanDerWaalsContact NH1-OE1 3.09Å
456	A	98.4	Very high	97	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	144.4	178.9	0	0	0	0	0	109.7	A432 L433 I577 W580	A432-A456 CarbonylContact C-O 3.58Å; A432-A456 VanDerWaalsContact CA-O 3.29Å; A432-A456 WeakPolarHBondContact CA-O 3.15Å; A432-A456 HydrophobicContact CB-CB 3.98Å; L433-A456 PolarHBondContact N-O 3.18Å; A456-I577 HydrophobicContact CB-CG1 4.4Å; A456-W580 HydrophobicContact CB-CB 3.87Å
457	C	98.8	Very high	96.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.7	171.6	-178.7	0	0	0	0	110	L433 I447 T516 P517 T518 L519 W576	L433-C457 HydrophobicContact CB-CB 4.39Å; L433-C457 CarbonylContact O-C 3.58Å; L433-C457 WeakPolarHBondContact O-CA 3.15Å; I447-C457 HydrophobicContact CD1-CB 4.17Å; I447-C457 HydrophobicContact CG2-CB 3.98Å; C457-T516 HydrophobicContact CB-CG2 4.12Å; C457-P517 PolarHBondContact N-O 2.92Å; C457-T518 HydrophobicContact CB-CG2 4.13Å; C457-T518 CarbonylContact O-C 3.5Å; C457-T518 WeakPolarHBondContact O-CA 3.33Å; C457-L519 PolarHBondContact O-N 3.27Å; C457-W576 PolarHBondContact O-NE1 3.14Å
458	V	98.8	Very high	96.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	117.3	168.9	-179.7	0	0	0	0	107.7	L433 F434 G435 L519 L521 A573 I577	L433-V458 PolarHBondContact O-N 3.39Å; F434-V458 WeakPolarHBondContact CA-O 3.43Å; F434-V458 HydrophobicContact CD2-CB 3.89Å; F434-V458 HydrophobicContact CD2-CG1 3.93Å; F434-V458 HydrophobicContact CD2-CG2 4.4Å; F434-V458 HydrophobicContact CE2-CB 4.31Å; F434-V458 HydrophobicContact CE2-CG1 3.83Å; F434-V458 HydrophobicContact CG-CB 4.32Å; F434-V458 HydrophobicContact CZ-CG1 4.32Å; G435-V458 PolarHBondContact N-O 3.24Å; V458-L519 HydrophobicContact CG1-CD2 4.25Å; V458-L519 HydrophobicContact CG2-CB 4.34Å; V458-L519 HydrophobicContact CG2-CD2 4.27Å; V458-L521 HydrophobicContact CG1-CD1 3.61Å; V458-L521 HydrophobicContact CG1-CG 4.4Å; V458-A573 HydrophobicContact CG1-CB 3.88Å; V458-A573 HydrophobicContact CG2-CB 4.08Å; V458-I577 HydrophobicContact CG2-CD1 3.85Å; V458-I577 HydrophobicContact CG2-CG1 3.81Å
459	A	98.5	Very high	96.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	111.6	-176.6	0	0	0	0	0	109.9	G435 L444 P462 L519 F520 L521	G435-A459 WeakPolarHBondContact O-CA 3.49Å; L444-A459 HydrophobicContact CD2-CB 4.28Å; L444-A459 HydrophobicContact CG-CB 4.5Å; A459-P462 HydrophobicContact CB-CB 3.98Å; A459-P462 HydrophobicContact CB-CG 3.79Å; A459-L519 PolarHBondContact N-O 2.84Å; A459-F520 HydrophobicContact CB-CD1 4.38Å; A459-F520 HydrophobicContact CB-CE1 4.46Å; A459-F520 WeakPolarHBondContact O-CA 3.39Å; A459-L521 PolarHBondContact O-N 2.8Å
460	L	98	Very high	96.2	Very high	9 Å²	9	24.6 Å²	24.6	5%	0.047	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.3	-178.9	-170.4	160.9	0	0	0	109.8	G435 A436 S437 P462 L521 L560 F569	G435-L460 PolarHBondContact O-N 3.34Å; A436-L460 CarbonylContact C-O 3.51Å; A436-L460 WeakPolarHBondContact CA-O 3.46Å; A436-L460 HydrophobicContact CB-CB 3.96Å; A436-L460 HydrophobicContact CB-CD2 4.03Å; A436-L460 HydrophobicContact CB-CG 4.45Å; S437-L460 PolarHBondContact N-O 3.49Å; L460-P462 VanDerWaalsContact C-CD 3.41Å; L460-P462 VanDerWaalsContact C-N 3.29Å; L460-P462 VanDerWaalsContact O-N 3.14Å; L460-L521 WeakPolarHBondContact CA-O 3.37Å; L460-L521 HydrophobicContact CB-CB 4.14Å; L460-L521 HydrophobicContact CB-CD1 4.31Å; L460-L521 HydrophobicContact CD1-CB 4.45Å; L460-L521 HydrophobicContact CD1-CD1 4.2Å; L460-L521 HydrophobicContact CG-CB 3.99Å; L460-L521 HydrophobicContact CG-CD1 4.45Å; L460-L560 HydrophobicContact CD1-CB 4.47Å; L460-L560 HydrophobicContact CD1-CD1 3.79Å; L460-L560 HydrophobicContact CD1-CG 4.34Å; L460-L560 HydrophobicContact CD2-CD1 4.01Å; L460-L560 HydrophobicContact CD2-CG 3.97Å; L460-L560 HydrophobicContact CG-CD1 3.65Å; L460-L560 HydrophobicContact CG-CG 4.18Å; L460-F569 HydrophobicContact CD1-CD1 4.3Å; L460-F569 HydrophobicContact CD1-CD2 4.14Å; L460-F569 HydrophobicContact CD1-CE1 4.22Å; L460-F569 HydrophobicContact CD1-CE2 4.11Å; L460-F569 HydrophobicContact CD1-CG 4.31Å; L460-F569 HydrophobicContact CD1-CZ 4.18Å
461	N	97.6	Very high	95.8	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.011	14%	0.139	C	C	.	.	S	Bend	trans	37.3	52.8	-174	-64.7	-37.1	0	0	0	114	S437 L521 L522 G523 D526 H558	S437-N461 WeakPolarHBondContact CA-O 3.47Å; N461-L521 PolarHBondContact N-O 2.76Å; N461-L521 PolarHBondContact OD1-O 3.19Å; N461-L522 VanDerWaalsContact OD1-CA 3.24Å; N461-L522 WeakPolarHBondContact OD1-CA 3.32Å; N461-G523 PolarHBondContact OD1-N 3.29Å; N461-D526 WeakPolarHBondContact CB-OD2 3.45Å; N461-D526 VanDerWaalsContact CG-OD2 3.28Å; N461-H558 PolarHBondContact ND2-O 2.91Å
462	P	98.2	Very high	95.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.			trans	-77	140.7	-171.5	32.9	-37.5	0	0	0	112.4	L444 A459 L460 T464 F520 V529	L444-P462 HydrophobicContact CD1-CB 3.85Å; L444-P462 HydrophobicContact CD1-CG 3.99Å; L444-P462 HydrophobicContact CG-CB 4.42Å; A459-P462 HydrophobicContact CB-CB 3.98Å; A459-P462 HydrophobicContact CB-CG 3.79Å; L460-P462 VanDerWaalsContact C-CD 3.41Å; L460-P462 VanDerWaalsContact C-N 3.29Å; L460-P462 VanDerWaalsContact O-N 3.14Å; P462-T464 PolarHBondContact O-N 2.76Å; P462-F520 HydrophobicContact CG-CD1 4.01Å; P462-F520 HydrophobicContact CG-CE1 4.1Å; P462-V529 VanDerWaalsContact O-CG1 3.24Å; P462-V529 WeakPolarHBondContact O-CG1 3.34Å
463	V	98.2	Very high	96	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.012	11%	0.114	C	C	.	.			trans	-69.1	127.2	165.7	-178.7	0	0	0	0	108.8	F441 I466 M469 W478 V529	F441-V463 WeakPolarHBondContact CA-O 3.28Å; F441-V463 HydrophobicContact CB-CB 3.95Å; F441-V463 WeakPolarHBondContact CB-O 3.23Å; F441-V463 HydrophobicContact CD2-CB 4.07Å; F441-V463 HydrophobicContact CD2-CG1 4.13Å; F441-V463 HydrophobicContact CG-CB 4.4Å; V463-I466 HydrophobicContact CG1-CG1 3.98Å; V463-M469 HydrophobicContact CB-SD 4.22Å; V463-M469 HydrophobicContact CG1-SD 3.58Å; V463-M469 VanDerWaalsContact CG1-SD 3.58Å; V463-M469 HydrophobicContact CG2-CE 4.27Å; V463-M469 HydrophobicContact CG2-SD 3.65Å; V463-W478 HydrophobicContact CB-CH2 4.25Å; V463-W478 HydrophobicContact CG1-CH2 3.89Å; V463-W478 HydrophobicContact CG1-CZ3 3.96Å; V463-W478 HydrophobicContact CG2-CH2 3.98Å; V463-W478 HydrophobicContact CG2-CZ3 4.21Å; V463-V529 HydrophobicContact CG2-CG1 4.25Å; V463-V529 HydrophobicContact CG2-CG2 3.65Å
464	T	98	Very high	95.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.102	C	C	.	.			trans	-110.9	-36.3	-179.5	63.1	0	0	0	0	112.9	L444 P462 S506 P507 I508 Q533 E536 F537	L444-T464 HydrophobicContact CD1-CG2 3.69Å; P462-T464 PolarHBondContact O-N 2.76Å; T464-S506 WeakPolarHBondContact O-CB 3.41Å; T464-P507 WeakPolarHBondContact O-CD 3.48Å; T464-P507 WeakPolarHBondContact O-CG 3.44Å; T464-I508 WeakPolarHBondContact O-CB 3.17Å; T464-I508 PolarHBondContact O-N 3.38Å; T464-I508 VanDerWaalsContact O-N 3.12Å; T464-Q533 PolarHBondContact OG1-O 3.34Å; T464-Q533 PolarHBondContact OG1-OE1 3.1Å; T464-E536 PolarHBondContact OG1-OE1 2.66Å; T464-F537 HydrophobicContact CG2-CB 4Å; T464-F537 HydrophobicContact CG2-CD2 4.3Å; T464-F537 HydrophobicContact CG2-CG 4.39Å
465	N	97.3	Very high	95.7	Very high	8 Å²	8	18.1 Å²	18.1	4%	0.043	10%	0.103	C	C	.	.			trans	-148.1	95	-173.3	178	-0.6	0	0	0	110.8	S467 A468 M469 W503 S506 I508 Q533 E536	N465-S467 PolarHBondContact O-N 3.39Å; N465-S467 WeakPolarHBondContact OD1-CB 3.45Å; N465-S467 PolarHBondContact OD1-N 3.21Å; N465-S467 VanDerWaalsContact OD1-N 3.17Å; N465-A468 HydrophobicContact CB-CB 4.24Å; N465-A468 WeakPolarHBondContact ND2-CB 3.32Å; N465-A468 PolarHBondContact O-N 2.99Å; N465-A468 VanDerWaalsContact O-N 3.15Å; N465-A468 PolarHBondContact OD1-N 3.35Å; N465-M469 WeakPolarHBondContact O-CB 3.27Å; N465-M469 PolarHBondContact O-N 3.5Å; N465-W503 WeakPolarHBondContact ND2-CZ3 3.43Å; N465-S506 WeakPolarHBondContact CA-OG 3.39Å; N465-I508 HydrophobicContact CB-CB 4.33Å; N465-I508 HydrophobicContact CB-CG2 3.87Å; N465-Q533 VanDerWaalsContact C-OE1 3.31Å; N465-Q533 PolarHBondContact O-OE1 2.67Å; N465-E536 WeakPolarHBondContact CB-OE1 3.35Å; N465-E536 PolarHBondContact ND2-OE2 2.86Å
466	I	97.2	Very high	95.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-56.8	-36.1	-179.7	-55.3	176.9	0	0	0	111	V404 F441 V463 A468 M469 Y470 W478 C479 A483 M502 A505 S506	V404-I466 HydrophobicContact CG2-CD1 3.95Å; F441-I466 HydrophobicContact CE2-CD1 3.82Å; F441-I466 HydrophobicContact CE2-CG1 4.18Å; F441-I466 HydrophobicContact CZ-CD1 4.15Å; V463-I466 HydrophobicContact CG1-CG1 3.98Å; I466-A468 PolarHBondContact O-N 2.99Å; I466-M469 WeakPolarHBondContact O-CB 3.19Å; I466-M469 PolarHBondContact O-N 2.91Å; I466-Y470 PolarHBondContact O-N 3.49Å; I466-W478 HydrophobicContact CD1-CH2 4.03Å; I466-W478 HydrophobicContact CD1-CZ3 4.27Å; I466-W478 HydrophobicContact CG1-CH2 4.02Å; I466-W478 HydrophobicContact CG1-CZ3 3.94Å; I466-W478 HydrophobicContact CG2-CZ3 4.15Å; I466-C479 HydrophobicContact CG2-CB 3.66Å; I466-A483 HydrophobicContact CD1-CB 4.11Å; I466-A483 HydrophobicContact CG2-CB 3.92Å; I466-M502 HydrophobicContact CB-CB 4.17Å; I466-M502 HydrophobicContact CG2-CB 4.09Å; I466-M502 HydrophobicContact CG2-CG 4.02Å; I466-M502 HydrophobicContact CG2-SD 4.27Å; I466-A505 HydrophobicContact CD1-CB 4.08Å; I466-S506 WeakPolarHBondContact CG1-OG 3.47Å; I466-S506 PolarHBondContact N-OG 2.95Å
467	S	95.2	Very high	95.1	Very high	20 Å²	20	17.2 Å²	17.2	14%	0.14	10%	0.103	C	C	.	.	H	α-helix	trans	-64	-41.6	-179.8	-177.9	0	0	0	0	112.3	N465 Q499	N465-S467 PolarHBondContact O-N 3.39Å; N465-S467 WeakPolarHBondContact OD1-CB 3.45Å; N465-S467 PolarHBondContact OD1-N 3.21Å; N465-S467 VanDerWaalsContact OD1-N 3.17Å; S467-Q499 WeakPolarHBondContact CB-O 2.98Å; S467-Q499 PolarHBondContact OG-O 2.56Å
468	A	94.2	Very high	94.9	Very high	39 Å²	39	17.6 Å²	17.6	32%	0.322	10%	0.104	S	C	.	.	H	α-helix	trans	-75.9	-38	174.7	0	0	0	0	0	112	N465 I466 Y470 N471 C472	N465-A468 HydrophobicContact CB-CB 4.24Å; N465-A468 WeakPolarHBondContact ND2-CB 3.32Å; N465-A468 PolarHBondContact O-N 2.99Å; N465-A468 VanDerWaalsContact O-N 3.15Å; N465-A468 PolarHBondContact OD1-N 3.35Å; I466-A468 PolarHBondContact O-N 2.99Å; A468-Y470 VanDerWaalsContact C-N 3.32Å; A468-Y470 PolarHBondContact O-N 2.99Å; A468-N471 PolarHBondContact O-N 3.34Å; A468-C472 PolarHBondContact O-SG 3.36Å; A468-C472 VanDerWaalsContact O-SG 3.37Å
469	M	94.9	Very high	94.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-54.7	-45.4	-178.5	-171.6	170.1	149.8	0	0	112.9	V463 N465 I466 N471 C472 S473 I475 W478 R528 V529 Q533	V463-M469 HydrophobicContact CB-SD 4.22Å; V463-M469 HydrophobicContact CG1-SD 3.58Å; V463-M469 VanDerWaalsContact CG1-SD 3.58Å; V463-M469 HydrophobicContact CG2-CE 4.27Å; V463-M469 HydrophobicContact CG2-SD 3.65Å; N465-M469 WeakPolarHBondContact O-CB 3.27Å; N465-M469 PolarHBondContact O-N 3.5Å; I466-M469 WeakPolarHBondContact O-CB 3.19Å; I466-M469 PolarHBondContact O-N 2.91Å; M469-N471 PolarHBondContact O-N 3.32Å; M469-C472 PolarHBondContact O-N 2.87Å; M469-C472 PolarHBondContact O-SG 2.85Å; M469-S473 VanDerWaalsContact O-CB 3.26Å; M469-S473 WeakPolarHBondContact O-CB 3.23Å; M469-S473 PolarHBondContact O-N 3.34Å; M469-I475 HydrophobicContact CE-CD1 3.63Å; M469-I475 HydrophobicContact CE-CG1 3.77Å; M469-W478 HydrophobicContact CE-CD2 4.27Å; M469-W478 HydrophobicContact CE-CE3 3.49Å; M469-W478 VanDerWaalsContact CE-CE3 3.49Å; M469-W478 HydrophobicContact CE-CZ3 3.87Å; M469-W478 HydrophobicContact SD-CE3 3.97Å; M469-W478 HydrophobicContact SD-CZ3 3.72Å; M469-R528 WeakPolarHBondContact CE-O 3.07Å; M469-V529 HydrophobicContact CE-CG2 4.38Å; M469-Q533 PolarHBondContact SD-NE2 2.82Å
470	Y	92.6	Very high	94.5	Very high	33 Å²	33	17.6 Å²	17.6	13%	0.129	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-37.1	-174.7	171.6	-92.1	0	0	0	113.2	I466 A468 P476 C479 V480 L488 N492 L494 M502	I466-Y470 PolarHBondContact O-N 3.49Å; A468-Y470 VanDerWaalsContact C-N 3.32Å; A468-Y470 PolarHBondContact O-N 2.99Å; Y470-P476 HydrophobicContact CD2-CB 3.81Å; Y470-P476 HydrophobicContact CE2-CB 3.81Å; Y470-C479 HydrophobicContact CD2-CB 4.08Å; Y470-V480 HydrophobicContact CD2-CG2 3.93Å; Y470-V480 HydrophobicContact CE2-CG2 3.57Å; Y470-L488 HydrophobicContact CE2-CD1 4.24Å; Y470-N492 PolarHBondContact OH-O 3.39Å; Y470-N492 VanDerWaalsContact OH-O 3.12Å; Y470-L494 HydrophobicContact CD1-CD1 3.11Å; Y470-L494 HydrophobicContact CD1-CG 3.79Å; Y470-L494 HydrophobicContact CD2-CD1 3.92Å; Y470-L494 HydrophobicContact CD2-CG 4.38Å; Y470-L494 HydrophobicContact CE1-CB 4.44Å; Y470-L494 HydrophobicContact CE1-CD1 3.49Å; Y470-L494 VanDerWaalsContact CE1-CD1 3.49Å; Y470-L494 HydrophobicContact CE1-CG 3.58Å; Y470-L494 HydrophobicContact CE2-CD1 4.24Å; Y470-L494 HydrophobicContact CE2-CG 4.22Å; Y470-L494 HydrophobicContact CG-CD1 3.33Å; Y470-L494 HydrophobicContact CG-CG 4.17Å; Y470-M502 HydrophobicContact CD2-CE 4.37Å
471	N	88.8	Confident	94.3	Very high	115 Å²	115	17.4 Å²	17.4	62%	0.615	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-7.6	-175.1	-62.6	-62.4	0	0	0	114.5	A468 M469	A468-N471 PolarHBondContact O-N 3.34Å; M469-N471 PolarHBondContact O-N 3.32Å
472	C	90.3	Very high	94.2	Very high	59 Å²	59	17.3 Å²	17.3	40%	0.399	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-2.8	-173.9	58.6	0	0	0	0	114.3	A468 M469 P530	A468-C472 PolarHBondContact O-SG 3.36Å; A468-C472 VanDerWaalsContact O-SG 3.37Å; M469-C472 PolarHBondContact O-N 2.87Å; M469-C472 PolarHBondContact O-SG 2.85Å; C472-P530 HydrophobicContact CB-CG 4.23Å; C472-P530 VanDerWaalsContact O-CG 3.23Å; C472-P530 WeakPolarHBondContact O-CG 3.5Å
473	S	93.2	Very high	94.1	Very high	17 Å²	17	17.5 Å²	17.5	12%	0.119	11%	0.105	C	C	.	.			trans	-91.6	152.9	179.3	-176.1	0	0	0	0	111.8	M469 I475 L527 R528	M469-S473 VanDerWaalsContact O-CB 3.26Å; M469-S473 WeakPolarHBondContact O-CB 3.23Å; M469-S473 PolarHBondContact O-N 3.34Å; S473-I475 VanDerWaalsContact C-N 3.27Å; S473-I475 WeakPolarHBondContact OG-CG1 3.28Å; S473-I475 PolarHBondContact OG-N 3.23Å; S473-L527 WeakPolarHBondContact CA-O 3.03Å; S473-R528 WeakPolarHBondContact CB-O 3.16Å; S473-R528 PolarHBondContact OG-O 3.29Å
474	D	92.4	Very high	94	Very high	20 Å²	20	18.9 Å²	18.9	11%	0.107	11%	0.112	C	C	.	.	S	Bend	trans	-84.9	7.3	166.3	64.6	-1.2	0	0	0	113.6	E91 P476 L527 R528	E91-D474 PolarHBondContact N-OD2 2.85Å; D474-P476 VanDerWaalsContact C-CD 3.47Å; D474-L527 HydrophobicContact CB-CB 4.3Å; D474-L527 PolarHBondContact N-O 2.96Å; D474-R528 PolarHBondContact O-NH1 3.2Å; D474-R528 WeakPolarHBondContact OD1-CA 3.37Å; D474-R528 WeakPolarHBondContact OD1-CD 3.26Å; D474-R528 IonicContact OD1-CZ 2.66Å; D474-R528 PolarHBondContact OD1-N 2.92Å; D474-R528 IonicContact OD1-NE 3.9Å; D474-R528 IonicContact OD1-NH1 2.89Å; D474-R528 PolarHBondContact OD1-NH1 2.91Å; D474-R528 IonicContact OD2-CZ 3.79Å; D474-R528 IonicContact OD2-NH1 3.76Å; D474-R528 PolarHBondContact OD2-NH1 3.2Å
475	I	92.5	Very high	93.8	Very high	9 Å²	9	21 Å²	21	5%	0.046	13%	0.134	C	C	.	.			trans	-127.7	60.9	165.8	50.9	166.5	0	0	0	112.8	C155 R158 H205 M469 S473 D477 W478 R528	C155-I475 VanDerWaalsContact SG-CG2 3.52Å; R158-I475 VanDerWaalsContact NH2-CG2 3.29Å; H205-I475 VanDerWaalsContact NE2-CG2 3.34Å; H205-I475 WeakPolarHBondContact NE2-CG2 3.27Å; M469-I475 HydrophobicContact CE-CD1 3.63Å; M469-I475 HydrophobicContact CE-CG1 3.77Å; S473-I475 VanDerWaalsContact C-N 3.27Å; S473-I475 WeakPolarHBondContact OG-CG1 3.28Å; S473-I475 PolarHBondContact OG-N 3.23Å; I475-D477 WeakPolarHBondContact CA-OD1 3.45Å; I475-D477 WeakPolarHBondContact CB-OD1 3.39Å; I475-D477 PolarHBondContact O-N 3.14Å; I475-W478 HydrophobicContact CB-CB 3.88Å; I475-W478 HydrophobicContact CD1-CB 3.52Å; I475-W478 HydrophobicContact CD1-CD2 4.21Å; I475-W478 HydrophobicContact CD1-CG 3.73Å; I475-W478 HydrophobicContact CG1-CB 3.97Å; I475-W478 WeakPolarHBondContact O-CB 3.37Å; I475-W478 PolarHBondContact O-N 2.84Å; I475-W478 VanDerWaalsContact O-N 3.15Å; I475-R528 HydrophobicContact CD1-CG 3.86Å; I475-R528 HydrophobicContact CG1-CG 4.23Å
476	P	91.6	Very high	93.6	Very high	16 Å²	16	24.5 Å²	24.5	10%	0.104	15%	0.15	C	C	.	.	H	α-helix	trans	-60	-26.9	173.4	27.4	-34.6	0	0	0	112.2	L150 Y470 D474 C479 V480 L488	L150-P476 HydrophobicContact CD2-CG 4.16Å; Y470-P476 HydrophobicContact CD2-CB 3.81Å; Y470-P476 HydrophobicContact CE2-CB 3.81Å; D474-P476 VanDerWaalsContact C-CD 3.47Å; P476-C479 WeakPolarHBondContact O-CB 3.49Å; P476-C479 PolarHBondContact O-N 3.07Å; P476-V480 WeakPolarHBondContact O-CG2 3.13Å; P476-V480 PolarHBondContact O-N 3.21Å; P476-L488 HydrophobicContact CG-CD2 4.15Å
477	D	90.8	Very high	93.2	Very high	13 Å²	13	28 Å²	28	7%	0.07	17%	0.169	C	C	.	.	H	α-helix	trans	-60.3	-42.3	174.2	51.7	-24.2	0	0	0	112.7	R158 I475 C479 V480 V481 L488	R158-D477 IonicContact CZ-OD1 2.94Å; R158-D477 IonicContact CZ-OD2 3.75Å; R158-D477 IonicContact NE-OD2 3.33Å; R158-D477 PolarHBondContact NE-OD2 2.83Å; R158-D477 VanDerWaalsContact NH2-CG 3.31Å; R158-D477 IonicContact NH2-OD1 3.55Å; R158-D477 PolarHBondContact NH2-OD1 3.4Å; R158-D477 IonicContact NH2-OD2 3.15Å; R158-D477 PolarHBondContact NH2-OD2 3.49Å; I475-D477 WeakPolarHBondContact CA-OD1 3.45Å; I475-D477 WeakPolarHBondContact CB-OD1 3.39Å; I475-D477 PolarHBondContact O-N 3.14Å; D477-C479 VanDerWaalsContact C-N 3.31Å; D477-C479 PolarHBondContact O-N 2.78Å; D477-V480 PolarHBondContact O-N 3.27Å; D477-V481 WeakPolarHBondContact O-CG2 3.42Å; D477-V481 PolarHBondContact O-N 3.04Å; D477-L488 HydrophobicContact CB-CB 3.88Å; D477-L488 HydrophobicContact CB-CD2 3.86Å; D477-L488 HydrophobicContact CB-CG 4.49Å
478	W	93.9	Very high	92.7	Very high	7 Å²	7	29.5 Å²	29.5	3%	0.027	18%	0.175	C	C	.	.	H	α-helix	trans	-56.8	-45.1	173.1	179	87.6	0	0	0	111.7	H205 H438 V463 I466 M469 I475 V480 V481 E482	H205-W478 AromaticContact CG-CD1 3.86Å; H438-W478 AromaticContact ND1-CZ2 3.39Å; H438-W478 WeakPolarHBondContact ND1-CZ2 3.13Å; V463-W478 HydrophobicContact CB-CH2 4.25Å; V463-W478 HydrophobicContact CG1-CH2 3.89Å; V463-W478 HydrophobicContact CG1-CZ3 3.96Å; V463-W478 HydrophobicContact CG2-CH2 3.98Å; V463-W478 HydrophobicContact CG2-CZ3 4.21Å; I466-W478 HydrophobicContact CD1-CH2 4.03Å; I466-W478 HydrophobicContact CD1-CZ3 4.27Å; I466-W478 HydrophobicContact CG1-CH2 4.02Å; I466-W478 HydrophobicContact CG1-CZ3 3.94Å; I466-W478 HydrophobicContact CG2-CZ3 4.15Å; M469-W478 HydrophobicContact CE-CD2 4.27Å; M469-W478 HydrophobicContact CE-CE3 3.49Å; M469-W478 VanDerWaalsContact CE-CE3 3.49Å; M469-W478 HydrophobicContact CE-CZ3 3.87Å; M469-W478 HydrophobicContact SD-CE3 3.97Å; M469-W478 HydrophobicContact SD-CZ3 3.72Å; I475-W478 HydrophobicContact CB-CB 3.88Å; I475-W478 HydrophobicContact CD1-CB 3.52Å; I475-W478 HydrophobicContact CD1-CD2 4.21Å; I475-W478 HydrophobicContact CD1-CG 3.73Å; I475-W478 HydrophobicContact CG1-CB 3.97Å; I475-W478 WeakPolarHBondContact O-CB 3.37Å; I475-W478 PolarHBondContact O-N 2.84Å; I475-W478 VanDerWaalsContact O-N 3.15Å; W478-V480 VanDerWaalsContact C-N 3.3Å; W478-V480 PolarHBondContact O-N 3.37Å; W478-V481 PolarHBondContact O-N 2.67Å; W478-E482 HydrophobicContact CD2-CB 4.5Å; W478-E482 HydrophobicContact CD2-CG 3.98Å; W478-E482 HydrophobicContact CG-CG 4.01Å; W478-E482 HydrophobicContact CZ2-CB 4.27Å; W478-E482 HydrophobicContact CZ2-CG 4.01Å; W478-E482 VanDerWaalsContact NE1-CG 3.31Å; W478-E482 VanDerWaalsContact O-CB 3.23Å; W478-E482 WeakPolarHBondContact O-CB 3.37Å; W478-E482 VanDerWaalsContact O-CG 3.28Å; W478-E482 WeakPolarHBondContact O-CG 3.49Å; W478-E482 PolarHBondContact O-N 2.75Å
479	C	94.9	Very high	92.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.9	-41.1	-179.8	-61	0	0	0	0	111.9	I466 Y470 P476 D477 A483 M502	I466-C479 HydrophobicContact CG2-CB 3.66Å; Y470-C479 HydrophobicContact CD2-CB 4.08Å; P476-C479 WeakPolarHBondContact O-CB 3.49Å; P476-C479 PolarHBondContact O-N 3.07Å; D477-C479 VanDerWaalsContact C-N 3.31Å; D477-C479 PolarHBondContact O-N 2.78Å; C479-A483 VanDerWaalsContact O-CB 3.27Å; C479-A483 WeakPolarHBondContact O-CB 3.3Å; C479-A483 PolarHBondContact O-N 2.52Å; C479-M502 HydrophobicContact CB-CE 4.11Å
480	V	93.9	Very high	91	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-70.7	-50.1	-179	179.2	0	0	0	0	110.7	Y470 P476 D477 W478 L484 G485 E486 L488 M502	Y470-V480 HydrophobicContact CD2-CG2 3.93Å; Y470-V480 HydrophobicContact CE2-CG2 3.57Å; P476-V480 WeakPolarHBondContact O-CG2 3.13Å; P476-V480 PolarHBondContact O-N 3.21Å; D477-V480 PolarHBondContact O-N 3.27Å; W478-V480 VanDerWaalsContact C-N 3.3Å; W478-V480 PolarHBondContact O-N 3.37Å; V480-L484 HydrophobicContact CG1-CD1 4.24Å; V480-L484 WeakPolarHBondContact O-CA 3.38Å; V480-L484 WeakPolarHBondContact O-CB 3.38Å; V480-L484 PolarHBondContact O-N 3.04Å; V480-G485 PolarHBondContact O-N 2.81Å; V480-E486 CarbonylContact C-O 3.56Å; V480-E486 HydrophobicContact CG1-CB 4.03Å; V480-E486 WeakPolarHBondContact CG1-O 3.26Å; V480-L488 HydrophobicContact CG2-CD1 3.96Å; V480-M502 HydrophobicContact CG2-CE 4.17Å
481	V	94.1	Very high	89.9	Confident	5 Å²	5	41.6 Å²	41.6	3%	0.03	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-52.4	-179.6	172.1	0	0	0	0	110.7	G203 P401 G402 D477 W478 G485 E486	G203-V481 WeakPolarHBondContact O-CG1 3.5Å; P401-V481 HydrophobicContact CB-CG1 4.02Å; P401-V481 HydrophobicContact CG-CG1 4.07Å; G402-V481 PolarHBondContact N-O 2.93Å; D477-V481 WeakPolarHBondContact O-CG2 3.42Å; D477-V481 PolarHBondContact O-N 3.04Å; W478-V481 PolarHBondContact O-N 2.67Å; V481-G485 WeakPolarHBondContact O-CA 3.28Å; V481-G485 PolarHBondContact O-N 2.88Å; V481-E486 WeakPolarHBondContact CA-O 3.39Å; V481-E486 VanDerWaalsContact CG2-O 3.32Å; V481-E486 WeakPolarHBondContact CG2-O 3.24Å; V481-E486 PolarHBondContact N-O 3.12Å
482	E	96.4	Very high	88.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-72.6	-42.3	-170.7	-66	-38.4	136.4	0	0	113.1	P359 H360 G402 V404 W478	P359-E482 HydrophobicContact CG-CG 3.81Å; H360-E482 IonicContact CD2-OE1 3.39Å; H360-E482 IonicContact NE2-OE1 3.48Å; H360-E482 PolarHBondContact NE2-OE1 3.1Å; H360-E482 IonicContact NE2-OE2 2.66Å; H360-E482 PolarHBondContact NE2-OE2 3.43Å; G402-E482 VanDerWaalsContact CA-O 3.28Å; G402-E482 WeakPolarHBondContact CA-O 3.4Å; G402-E482 PolarHBondContact N-O 3.26Å; V404-E482 HydrophobicContact CB-CB 4.49Å; V404-E482 HydrophobicContact CG1-CB 3.74Å; V404-E482 HydrophobicContact CG1-CG 4.27Å; V404-E482 WeakPolarHBondContact CG1-OE2 3.45Å; V404-E482 HydrophobicContact CG2-CB 4Å; V404-E482 WeakPolarHBondContact CG2-O 3.45Å; W478-E482 HydrophobicContact CD2-CB 4.5Å; W478-E482 HydrophobicContact CD2-CG 3.98Å; W478-E482 HydrophobicContact CG-CG 4.01Å; W478-E482 HydrophobicContact CZ2-CB 4.27Å; W478-E482 HydrophobicContact CZ2-CG 4.01Å; W478-E482 VanDerWaalsContact NE1-CG 3.31Å; W478-E482 VanDerWaalsContact O-CB 3.23Å; W478-E482 WeakPolarHBondContact O-CB 3.37Å; W478-E482 VanDerWaalsContact O-CG 3.28Å; W478-E482 WeakPolarHBondContact O-CG 3.49Å; W478-E482 PolarHBondContact O-N 2.75Å
483	A	96.7	Very high	88	Confident	4 Å²	4	41.1 Å²	41.1	3%	0.033	25%	0.251	C	S	.	.	H	α-helix	trans	-87.8	-28.9	-177.7	0	0	0	0	0	113.9	I466 C479 M502 A505	I466-A483 HydrophobicContact CD1-CB 4.11Å; I466-A483 HydrophobicContact CG2-CB 3.92Å; C479-A483 VanDerWaalsContact O-CB 3.27Å; C479-A483 WeakPolarHBondContact O-CB 3.3Å; C479-A483 PolarHBondContact O-N 2.52Å; A483-M502 HydrophobicContact CB-CB 4.36Å; A483-M502 HydrophobicContact CB-CG 3.77Å; A483-A505 HydrophobicContact CB-CB 4.25Å
484	L	95.6	Very high	87.6	Confident	30 Å²	30	41.2 Å²	41.2	16%	0.157	25%	0.25	C	S	.	.	H	α-helix	trans	-108.7	-18.3	-175.5	-49.1	-178.9	0	0	0	113.6	V480 E486 L494 K498 V501 M502	V480-L484 HydrophobicContact CG1-CD1 4.24Å; V480-L484 WeakPolarHBondContact O-CA 3.38Å; V480-L484 WeakPolarHBondContact O-CB 3.38Å; V480-L484 PolarHBondContact O-N 3.04Å; L484-E486 VanDerWaalsContact C-N 3.26Å; L484-E486 HydrophobicContact CB-CB 4.35Å; L484-E486 HydrophobicContact CB-CG 4.15Å; L484-L494 HydrophobicContact CD1-CD2 4.21Å; L484-K498 HydrophobicContact CD1-CB 3.98Å; L484-K498 HydrophobicContact CD1-CD 3.74Å; L484-K498 HydrophobicContact CD1-CG 3.91Å; L484-K498 HydrophobicContact CD2-CB 4.27Å; L484-K498 HydrophobicContact CD2-CG 4.46Å; L484-V501 HydrophobicContact CD2-CB 3.91Å; L484-V501 HydrophobicContact CD2-CG1 3.78Å; L484-M502 HydrophobicContact CD1-CE 3.86Å; L484-M502 HydrophobicContact CD2-CG 4.18Å; L484-M502 HydrophobicContact CG-CE 4.02Å
485	G	94	Very high	87.5	Confident	45 Å²	45	44.1 Å²	44.1	46%	0.464	27%	0.266	S	S	.	.	S	Bend	trans	69.9	25.3	-173.7	0	0	0	0	0	112.9	V480 V481	V480-G485 PolarHBondContact O-N 2.81Å; V481-G485 WeakPolarHBondContact O-CA 3.28Å; V481-G485 PolarHBondContact O-N 2.88Å
486	E	92.1	Very high	87.5	Confident	81 Å²	81	52.5 Å²	52.5	38%	0.379	30%	0.302	S	S	.	.			trans	-121.9	156.8	-177.3	-62.5	177.1	-171	0	0	110.7	V480 V481 L484 K498	V480-E486 CarbonylContact C-O 3.56Å; V480-E486 HydrophobicContact CG1-CB 4.03Å; V480-E486 WeakPolarHBondContact CG1-O 3.26Å; V481-E486 WeakPolarHBondContact CA-O 3.39Å; V481-E486 VanDerWaalsContact CG2-O 3.32Å; V481-E486 WeakPolarHBondContact CG2-O 3.24Å; V481-E486 PolarHBondContact N-O 3.12Å; L484-E486 VanDerWaalsContact C-N 3.26Å; L484-E486 HydrophobicContact CB-CB 4.35Å; L484-E486 HydrophobicContact CB-CG 4.15Å; E486-K498 IonicContact OE1-NZ 3.4Å; E486-K498 PolarHBondContact OE1-NZ 3.03Å; E486-K498 IonicContact OE2-NZ 3.55Å; E486-K498 PolarHBondContact OE2-NZ 3.49Å
487	D	88.4	Confident	87.7	Confident	74 Å²	74	57 Å²	57	40%	0.396	32%	0.322	S	S	.	.			trans	-82	149.1	169.8	-66.5	-45.6	0	0	0	112.7	G202 G203 K489 N492	G202-D487 WeakPolarHBondContact CA-OD1 3.41Å; G203-D487 PolarHBondContact N-OD1 3.01Å; D487-K489 PolarHBondContact O-N 3.2Å; D487-N492 PolarHBondContact O-ND2 3.46Å
488	L	85.3	Confident	87.9	Confident	51 Å²	51	58.7 Å²	58.7	27%	0.267	33%	0.328	S	S	.	.			trans	-70.2	117	170.2	-174.2	70.2	0	0	0	110	L150 Y470 P476 D477 V480 N492	L150-L488 HydrophobicContact CD1-CD2 4.1Å; Y470-L488 HydrophobicContact CE2-CD1 4.24Å; P476-L488 HydrophobicContact CG-CD2 4.15Å; D477-L488 HydrophobicContact CB-CB 3.88Å; D477-L488 HydrophobicContact CB-CD2 3.86Å; D477-L488 HydrophobicContact CB-CG 4.49Å; V480-L488 HydrophobicContact CG2-CD1 3.96Å; L488-N492 HydrophobicContact CD1-CB 4.16Å
489	K	81.8	Confident	87.9	Confident	138 Å²	138	62 Å²	62	60%	0.6	34%	0.344	S	S	*	.			trans	-106.5	148.6	174.7	-60.3	178.8	-177.4	177.9	0	110.6	D487 G491 N492	D487-K489 PolarHBondContact O-N 3.2Å; K489-G491 PolarHBondContact O-N 3.42Å; K489-N492 PolarHBondContact N-ND2 3.46Å; K489-N492 WeakPolarHBondContact O-CB 3.48Å; K489-N492 PolarHBondContact O-N 3.28Å
490	P	71.7	Confident	88	Confident	115 Å²	115	69 Å²	69	75%	0.747	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	128	168.5	-25.4	34.4	0	0	0	110.8
491	G	69.2	Low	88.2	Confident	74 Å²	74	71.2 Å²	71.2	76%	0.763	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	9.6	-178.1	0	0	0	0	0	115.5	K489 V493	K489-G491 PolarHBondContact O-N 3.42Å; G491-V493 PolarHBondContact O-N 3.06Å
492	N	69.2	Low	88.4	Confident	41 Å²	41	71 Å²	71	22%	0.219	38%	0.383	C	S	.	.			trans	-56.7	101.8	169.3	-90.2	0.7	0	0	0	110	Y470 D487 L488 K489	Y470-N492 PolarHBondContact OH-O 3.39Å; Y470-N492 VanDerWaalsContact OH-O 3.12Å; D487-N492 PolarHBondContact O-ND2 3.46Å; L488-N492 HydrophobicContact CD1-CB 4.16Å; K489-N492 PolarHBondContact N-ND2 3.46Å; K489-N492 WeakPolarHBondContact O-CB 3.48Å; K489-N492 PolarHBondContact O-N 3.28Å
493	V	71.4	Confident	88.5	Confident	123 Å²	123	76.3 Å²	76.3	75%	0.745	40%	0.403	S	S	*	.			trans	-89.3	119.9	166.2	-179	0	0	0	0	106.8	G491 D495	G491-V493 PolarHBondContact O-N 3.06Å; V493-D495 PolarHBondContact O-N 2.96Å
494	L	82.9	Confident	88.5	Confident	18 Å²	18	80.3 Å²	80.3	9%	0.094	42%	0.421	C	S	.	.			trans	-66.9	105.5	169.1	-74.7	-174.9	0	0	0	109.4	Y470 L484 K498 Q499 M502	Y470-L494 HydrophobicContact CD1-CD1 3.11Å; Y470-L494 HydrophobicContact CD1-CG 3.79Å; Y470-L494 HydrophobicContact CD2-CD1 3.92Å; Y470-L494 HydrophobicContact CD2-CG 4.38Å; Y470-L494 HydrophobicContact CE1-CB 4.44Å; Y470-L494 HydrophobicContact CE1-CD1 3.49Å; Y470-L494 VanDerWaalsContact CE1-CD1 3.49Å; Y470-L494 HydrophobicContact CE1-CG 3.58Å; Y470-L494 HydrophobicContact CE2-CD1 4.24Å; Y470-L494 HydrophobicContact CE2-CG 4.22Å; Y470-L494 HydrophobicContact CG-CD1 3.33Å; Y470-L494 HydrophobicContact CG-CG 4.17Å; L484-L494 HydrophobicContact CD1-CD2 4.21Å; L494-K498 HydrophobicContact CD2-CB 3.82Å; L494-K498 HydrophobicContact CD2-CD 4.24Å; L494-Q499 HydrophobicContact CB-CG 4Å; L494-Q499 HydrophobicContact CD1-CG 4.32Å; L494-Q499 PolarHBondContact O-NE2 3.24Å; L494-M502 HydrophobicContact CD1-CE 3.91Å; L494-M502 HydrophobicContact CD1-SD 3.64Å; L494-M502 HydrophobicContact CD2-CE 3.52Å; L494-M502 HydrophobicContact CD2-SD 4.11Å; L494-M502 HydrophobicContact CG-CE 4.38Å
495	D	90.4	Very high	88.7	Confident	81 Å²	81	79.5 Å²	79.5	43%	0.433	42%	0.418	S	S	.	.			trans	-69.6	170.1	168.2	70.2	36.5	0	0	0	111.4	V493 Q497 K498 Q499	V493-D495 PolarHBondContact O-N 2.96Å; D495-Q497 PolarHBondContact O-N 3.27Å; D495-Q497 WeakPolarHBondContact OD1-CA 3.17Å; D495-Q497 WeakPolarHBondContact OD1-CB 2.93Å; D495-Q497 PolarHBondContact OD1-N 2.92Å; D495-K498 PolarHBondContact O-N 3.3Å; D495-K498 PolarHBondContact OD1-N 3.38Å; D495-Q499 WeakPolarHBondContact O-CG 3.5Å; D495-Q499 PolarHBondContact O-N 3.33Å
496	K	93.5	Very high	88.9	Confident	185 Å²	185	77.4 Å²	77.4	80%	0.804	40%	0.396	S	S	*	.	H	α-helix	trans	-57.7	-33.2	179.8	-175.6	178.7	178.7	-178.9	0	112.8	R500	K496-R500 WeakPolarHBondContact O-CB 3.22Å; K496-R500 PolarHBondContact O-N 3.2Å; K496-R500 VanDerWaalsContact O-N 3.13Å
497	Q	95.5	Very high	89.2	Confident	112 Å²	112	73.5 Å²	73.5	52%	0.523	38%	0.378	S	S	.	.	H	α-helix	trans	-73.2	-44.4	-178.3	-177.6	58.3	28.3	0	0	110.7	D495 Q499 R500 V501	D495-Q497 PolarHBondContact O-N 3.27Å; D495-Q497 WeakPolarHBondContact OD1-CA 3.17Å; D495-Q497 WeakPolarHBondContact OD1-CB 2.93Å; D495-Q497 PolarHBondContact OD1-N 2.92Å; Q497-Q499 PolarHBondContact O-N 2.94Å; Q497-R500 WeakPolarHBondContact O-CB 3.39Å; Q497-R500 PolarHBondContact O-N 2.97Å; Q497-V501 WeakPolarHBondContact O-CG2 3.08Å; Q497-V501 PolarHBondContact O-N 3.46Å
498	K	94.8	Very high	89.6	Confident	48 Å²	48	70.7 Å²	70.7	21%	0.209	36%	0.363	C	S	.	.	H	α-helix	trans	-62.4	-42.3	175.3	-69.3	-174.1	175.9	-160	0	111.9	L484 E486 L494 D495 R500 V501 M502	L484-K498 HydrophobicContact CD1-CB 3.98Å; L484-K498 HydrophobicContact CD1-CD 3.74Å; L484-K498 HydrophobicContact CD1-CG 3.91Å; L484-K498 HydrophobicContact CD2-CB 4.27Å; L484-K498 HydrophobicContact CD2-CG 4.46Å; E486-K498 IonicContact OE1-NZ 3.4Å; E486-K498 PolarHBondContact OE1-NZ 3.03Å; E486-K498 IonicContact OE2-NZ 3.55Å; E486-K498 PolarHBondContact OE2-NZ 3.49Å; L494-K498 HydrophobicContact CD2-CB 3.82Å; L494-K498 HydrophobicContact CD2-CD 4.24Å; D495-K498 PolarHBondContact O-N 3.3Å; D495-K498 PolarHBondContact OD1-N 3.38Å; K498-R500 VanDerWaalsContact C-N 3.28Å; K498-R500 PolarHBondContact O-N 3.17Å; K498-V501 PolarHBondContact O-N 3.48Å; K498-M502 WeakPolarHBondContact O-CG 3.38Å; K498-M502 PolarHBondContact O-N 2.79Å
499	Q	95.2	Very high	90.2	Very high	77 Å²	77	70.7 Å²	70.7	36%	0.36	36%	0.362	S	S	.	.	H	α-helix	trans	-58.8	-41.2	173.8	-70.9	178.1	1.6	0	0	112.1	S467 L494 D495 Q497 M502 W503	S467-Q499 WeakPolarHBondContact CB-O 2.98Å; S467-Q499 PolarHBondContact OG-O 2.56Å; L494-Q499 HydrophobicContact CB-CG 4Å; L494-Q499 HydrophobicContact CD1-CG 4.32Å; L494-Q499 PolarHBondContact O-NE2 3.24Å; D495-Q499 WeakPolarHBondContact O-CG 3.5Å; D495-Q499 PolarHBondContact O-N 3.33Å; Q497-Q499 PolarHBondContact O-N 2.94Å; Q499-M502 PolarHBondContact O-N 3.23Å; Q499-W503 PolarHBondContact O-N 3.48Å
500	R	97.1	Very high	91	Very high	146 Å²	146	66.5 Å²	66.5	55%	0.551	34%	0.342	S	S	*	.	H	α-helix	trans	-63.4	-45.8	176.3	178.3	-180	174	170.3	1.8	112.2	K496 Q497 K498 M502 W503 E504	K496-R500 WeakPolarHBondContact O-CB 3.22Å; K496-R500 PolarHBondContact O-N 3.2Å; K496-R500 VanDerWaalsContact O-N 3.13Å; Q497-R500 WeakPolarHBondContact O-CB 3.39Å; Q497-R500 PolarHBondContact O-N 2.97Å; K498-R500 VanDerWaalsContact C-N 3.28Å; K498-R500 PolarHBondContact O-N 3.17Å; R500-M502 VanDerWaalsContact C-N 3.31Å; R500-M502 PolarHBondContact O-N 3.24Å; R500-W503 WeakPolarHBondContact O-CB 3.48Å; R500-W503 PolarHBondContact O-N 3.28Å; R500-W503 VanDerWaalsContact O-N 3.16Å; R500-E504 HydrophobicContact CG-CG 4.42Å; R500-E504 IonicContact CZ-OE1 2.63Å; R500-E504 IonicContact NE-OE1 2.61Å; R500-E504 PolarHBondContact NE-OE1 3.35Å; R500-E504 IonicContact NH2-OE1 3.11Å; R500-E504 PolarHBondContact NH2-OE1 2.58Å; R500-E504 VanDerWaalsContact NH2-OE1 3.1Å; R500-E504 WeakPolarHBondContact O-CG 3.44Å; R500-E504 PolarHBondContact O-N 3.24Å
501	V	97.7	Very high	92.2	Very high	48 Å²	48	61 Å²	61	29%	0.291	31%	0.307	S	S	.	.	H	α-helix	trans	-59.8	-43.6	176.9	175.1	0	0	0	0	110.6	L484 Q497 K498 W503 E504 A505	L484-V501 HydrophobicContact CD2-CB 3.91Å; L484-V501 HydrophobicContact CD2-CG1 3.78Å; Q497-V501 WeakPolarHBondContact O-CG2 3.08Å; Q497-V501 PolarHBondContact O-N 3.46Å; K498-V501 PolarHBondContact O-N 3.48Å; V501-W503 VanDerWaalsContact C-N 3.33Å; V501-W503 PolarHBondContact O-N 3.11Å; V501-E504 CarbonylContact O-C 3.59Å; V501-E504 PolarHBondContact O-N 3.26Å; V501-A505 PolarHBondContact O-N 3.35Å
502	M	97.8	Very high	93.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.1	-40.7	175.1	-70.6	-179.8	171.1	0	0	112.8	I466 Y470 C479 V480 A483 L484 L494 K498 Q499 R500 A505 S506	I466-M502 HydrophobicContact CB-CB 4.17Å; I466-M502 HydrophobicContact CG2-CB 4.09Å; I466-M502 HydrophobicContact CG2-CG 4.02Å; I466-M502 HydrophobicContact CG2-SD 4.27Å; Y470-M502 HydrophobicContact CD2-CE 4.37Å; C479-M502 HydrophobicContact CB-CE 4.11Å; V480-M502 HydrophobicContact CG2-CE 4.17Å; A483-M502 HydrophobicContact CB-CB 4.36Å; A483-M502 HydrophobicContact CB-CG 3.77Å; L484-M502 HydrophobicContact CD1-CE 3.86Å; L484-M502 HydrophobicContact CD2-CG 4.18Å; L484-M502 HydrophobicContact CG-CE 4.02Å; L494-M502 HydrophobicContact CD1-CE 3.91Å; L494-M502 HydrophobicContact CD1-SD 3.64Å; L494-M502 HydrophobicContact CD2-CE 3.52Å; L494-M502 HydrophobicContact CD2-SD 4.11Å; L494-M502 HydrophobicContact CG-CE 4.38Å; K498-M502 WeakPolarHBondContact O-CG 3.38Å; K498-M502 PolarHBondContact O-N 2.79Å; Q499-M502 PolarHBondContact O-N 3.23Å; R500-M502 VanDerWaalsContact C-N 3.31Å; R500-M502 PolarHBondContact O-N 3.24Å; M502-A505 PolarHBondContact O-N 3.14Å; M502-S506 PolarHBondContact O-N 3.43Å; M502-S506 PolarHBondContact O-OG 3.18Å
503	W	97.5	Very high	94.9	Very high	112 Å²	112	66.1 Å²	66.1	42%	0.424	31%	0.308	S	S	.	.	H	α-helix	trans	-64.1	-43.9	174.2	176.5	-85.9	0	0	0	111.9	N465 Q499 R500 V501 A505 S506 I508 Q509	N465-W503 WeakPolarHBondContact ND2-CZ3 3.43Å; Q499-W503 PolarHBondContact O-N 3.48Å; R500-W503 WeakPolarHBondContact O-CB 3.48Å; R500-W503 PolarHBondContact O-N 3.28Å; R500-W503 VanDerWaalsContact O-N 3.16Å; V501-W503 VanDerWaalsContact C-N 3.33Å; V501-W503 PolarHBondContact O-N 3.11Å; W503-A505 PolarHBondContact O-N 3.23Å; W503-S506 VanDerWaalsContact O-CB 3.3Å; W503-S506 WeakPolarHBondContact O-CB 3.24Å; W503-S506 PolarHBondContact O-N 3.13Å; W503-I508 HydrophobicContact CD2-CG2 4.18Å; W503-I508 HydrophobicContact CE3-CG2 3.82Å; W503-I508 HydrophobicContact CH2-CB 4.43Å; W503-I508 HydrophobicContact CH2-CG1 3.92Å; W503-I508 HydrophobicContact CH2-CG2 3.63Å; W503-I508 HydrophobicContact CZ2-CG2 3.98Å; W503-I508 HydrophobicContact CZ3-CG1 4.3Å; W503-I508 HydrophobicContact CZ3-CG2 3.55Å; W503-Q509 PolarHBondContact O-NE2 2.98Å
504	E	98.2	Very high	96.1	Very high	88 Å²	88	60.3 Å²	60.3	41%	0.411	27%	0.273	S	S	.	.	H	α-helix	trans	-68	-17.5	177.4	-70.9	174.4	176.8	0	0	113.3	R500 V501 Q509	R500-E504 HydrophobicContact CG-CG 4.42Å; R500-E504 IonicContact CZ-OE1 2.63Å; R500-E504 IonicContact NE-OE1 2.61Å; R500-E504 PolarHBondContact NE-OE1 3.35Å; R500-E504 IonicContact NH2-OE1 3.11Å; R500-E504 PolarHBondContact NH2-OE1 2.58Å; R500-E504 VanDerWaalsContact NH2-OE1 3.1Å; R500-E504 WeakPolarHBondContact O-CG 3.44Å; R500-E504 PolarHBondContact O-N 3.24Å; V501-E504 CarbonylContact O-C 3.59Å; V501-E504 PolarHBondContact O-N 3.26Å; E504-Q509 PolarHBondContact O-NE2 3.03Å
505	A	98.2	Very high	96.8	Very high	13 Å²	13	62.5 Å²	62.5	11%	0.107	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-8.2	169.3	0	0	0	0	0	113.2	V404 F441 H445 I466 A483 V501 M502 W503	V404-A505 HydrophobicContact CG2-CB 4.32Å; F441-A505 WeakPolarHBondContact CE2-O 3.41Å; F441-A505 WeakPolarHBondContact CZ-O 3.49Å; H445-A505 PolarHBondContact CE1-O 2.99Å; H445-A505 PolarHBondContact NE2-O 3.02Å; I466-A505 HydrophobicContact CD1-CB 4.08Å; A483-A505 HydrophobicContact CB-CB 4.25Å; V501-A505 PolarHBondContact O-N 3.35Å; M502-A505 PolarHBondContact O-N 3.14Å; W503-A505 PolarHBondContact O-N 3.23Å
506	S	98.5	Very high	97.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-96.8	144.9	-169.2	-64.4	0	0	0	0	113.8	T464 N465 I466 M502 W503 I508 Q509	T464-S506 WeakPolarHBondContact O-CB 3.41Å; N465-S506 WeakPolarHBondContact CA-OG 3.39Å; I466-S506 WeakPolarHBondContact CG1-OG 3.47Å; I466-S506 PolarHBondContact N-OG 2.95Å; M502-S506 PolarHBondContact O-N 3.43Å; M502-S506 PolarHBondContact O-OG 3.18Å; W503-S506 VanDerWaalsContact O-CB 3.3Å; W503-S506 WeakPolarHBondContact O-CB 3.24Å; W503-S506 PolarHBondContact O-N 3.13Å; S506-I508 VanDerWaalsContact C-N 3.25Å; S506-I508 PolarHBondContact O-N 3.1Å; S506-Q509 WeakPolarHBondContact O-CG 3.37Å; S506-Q509 PolarHBondContact O-N 2.99Å; S506-Q509 PolarHBondContact O-NE2 3.27Å
507	P	98.4	Very high	97.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-69.4	-21.6	-179.8	27.8	-36.5	0	0	0	113.2	F441 L444 H445 T464 Q509 Y510 A511 F537	F441-P507 HydrophobicContact CD2-CG 3.94Å; F441-P507 HydrophobicContact CE2-CG 4.39Å; L444-P507 HydrophobicContact CB-CB 3.74Å; L444-P507 HydrophobicContact CB-CG 3.91Å; L444-P507 HydrophobicContact CD1-CG 4.49Å; H445-P507 HydrophobicContact CB-CB 4.37Å; H445-P507 VanDerWaalsContact CE1-N 3.35Å; H445-P507 WeakPolarHBondContact NE2-CD 3.15Å; T464-P507 WeakPolarHBondContact O-CD 3.48Å; T464-P507 WeakPolarHBondContact O-CG 3.44Å; P507-Q509 PolarHBondContact O-N 3.18Å; P507-Q509 VanDerWaalsContact O-N 3.11Å; P507-Y510 PolarHBondContact O-N 3.5Å; P507-A511 PolarHBondContact O-N 3.01Å; P507-F537 HydrophobicContact CB-CE2 4.2Å
508	I	97.7	Very high	97.5	Very high	15 Å²	15	44.8 Å²	44.8	8%	0.077	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-54	-31.3	178.3	-168.6	64.7	0	0	0	112.9	T464 N465 W503 S506 Y510 A511 E536 F537	T464-I508 WeakPolarHBondContact O-CB 3.17Å; T464-I508 PolarHBondContact O-N 3.38Å; T464-I508 VanDerWaalsContact O-N 3.12Å; N465-I508 HydrophobicContact CB-CB 4.33Å; N465-I508 HydrophobicContact CB-CG2 3.87Å; W503-I508 HydrophobicContact CD2-CG2 4.18Å; W503-I508 HydrophobicContact CE3-CG2 3.82Å; W503-I508 HydrophobicContact CH2-CB 4.43Å; W503-I508 HydrophobicContact CH2-CG1 3.92Å; W503-I508 HydrophobicContact CH2-CG2 3.63Å; W503-I508 HydrophobicContact CZ2-CG2 3.98Å; W503-I508 HydrophobicContact CZ3-CG1 4.3Å; W503-I508 HydrophobicContact CZ3-CG2 3.55Å; S506-I508 VanDerWaalsContact C-N 3.25Å; S506-I508 PolarHBondContact O-N 3.1Å; I508-Y510 PolarHBondContact O-N 2.77Å; I508-Y510 VanDerWaalsContact O-N 3.12Å; I508-A511 HydrophobicContact CD1-CB 4.1Å; I508-A511 VanDerWaalsContact O-CB 3.29Å; I508-A511 WeakPolarHBondContact O-CB 3.39Å; I508-A511 PolarHBondContact O-N 3.18Å; I508-A511 VanDerWaalsContact O-N 3.08Å; I508-E536 HydrophobicContact CD1-CB 4.34Å; I508-E536 HydrophobicContact CD1-CG 4.28Å; I508-F537 HydrophobicContact CB-CD2 4.37Å; I508-F537 HydrophobicContact CD1-CB 3.95Å; I508-F537 HydrophobicContact CD1-CD2 3.67Å; I508-F537 HydrophobicContact CD1-CG 4.12Å
509	Q	97.6	Very high	97.7	Very high	50 Å²	50	42.5 Å²	42.5	23%	0.234	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-62.6	-20.4	177.6	82.5	-172.6	-80.5	0	0	113	W503 E504 S506 P507	W503-Q509 PolarHBondContact O-NE2 2.98Å; E504-Q509 PolarHBondContact O-NE2 3.03Å; S506-Q509 WeakPolarHBondContact O-CG 3.37Å; S506-Q509 PolarHBondContact O-N 2.99Å; S506-Q509 PolarHBondContact O-NE2 3.27Å; P507-Q509 PolarHBondContact O-N 3.18Å; P507-Q509 VanDerWaalsContact O-N 3.11Å
510	Y	98.1	Very high	97.8	Very high	50 Å²	50	38.8 Å²	38.8	20%	0.196	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-105.9	0.8	179.7	-53.8	-60.6	0	0	0	112.8	H445 Q449 P507 I508 E512 K513	H445-Y510 AromaticContact CE1-CE2 3.86Å; H445-Y510 AromaticContact ND1-CD2 3.67Å; H445-Y510 AromaticContact ND1-CE2 3.6Å; Q449-Y510 HydrophobicContact CG-CD1 4.38Å; Q449-Y510 HydrophobicContact CG-CD2 3.51Å; Q449-Y510 HydrophobicContact CG-CE1 4.32Å; Q449-Y510 HydrophobicContact CG-CE2 3.42Å; Q449-Y510 VanDerWaalsContact CG-CE2 3.42Å; Q449-Y510 HydrophobicContact CG-CG 4.01Å; P507-Y510 PolarHBondContact O-N 3.5Å; I508-Y510 PolarHBondContact O-N 2.77Å; I508-Y510 VanDerWaalsContact O-N 3.12Å; Y510-E512 PolarHBondContact O-N 2.97Å; Y510-E512 VanDerWaalsContact O-N 3.1Å; Y510-K513 WeakPolarHBondContact O-CB 3.37Å; Y510-K513 PolarHBondContact O-N 3.26Å
511	A	97.5	Very high	97.9	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.008	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-57.3	-30.6	-174.7	0	0	0	0	0	113	P507 I508 K513 V514 F537 V540	P507-A511 PolarHBondContact O-N 3.01Å; I508-A511 HydrophobicContact CD1-CB 4.1Å; I508-A511 VanDerWaalsContact O-CB 3.29Å; I508-A511 WeakPolarHBondContact O-CB 3.39Å; I508-A511 PolarHBondContact O-N 3.18Å; I508-A511 VanDerWaalsContact O-N 3.08Å; A511-K513 PolarHBondContact O-N 3.38Å; A511-V514 WeakPolarHBondContact O-CB 3.45Å; A511-V514 PolarHBondContact O-N 2.89Å; A511-F537 HydrophobicContact CB-CD2 4.06Å; A511-F537 HydrophobicContact CB-CE1 4.28Å; A511-F537 HydrophobicContact CB-CE2 3.81Å; A511-F537 HydrophobicContact CB-CG 4.41Å; A511-F537 HydrophobicContact CB-CZ 3.94Å; A511-V540 HydrophobicContact CB-CB 4.07Å; A511-V540 HydrophobicContact CB-CG1 3.74Å; A511-V540 HydrophobicContact CB-CG2 4.47Å
512	E	96.6	Very high	97.9	Very high	112 Å²	112	30 Å²	30	52%	0.523	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-65.8	-23.4	174.9	68.4	176.2	-163.5	0	0	113.9	Y510 R544	Y510-E512 PolarHBondContact O-N 2.97Å; Y510-E512 VanDerWaalsContact O-N 3.1Å; E512-R544 PolarHBondContact O-NE 3.03Å; E512-R544 PolarHBondContact O-NH2 2.85Å
513	K	97.5	Very high	97.8	Very high	110 Å²	110	30 Å²	30	48%	0.478	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-88.3	-16.5	-178.8	-59.4	-178.6	-176.5	174.6	0	112.2	G448 A451 Y510 A511 T515	G448-K513 WeakPolarHBondContact O-CB 3.41Å; A451-K513 WeakPolarHBondContact CB-O 3.42Å; Y510-K513 WeakPolarHBondContact O-CB 3.37Å; Y510-K513 PolarHBondContact O-N 3.26Å; A511-K513 PolarHBondContact O-N 3.38Å; K513-T515 PolarHBondContact O-N 3.26Å
514	V	98.1	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.147	C	C	.	.			trans	-64.6	129.8	-175.6	178.9	0	0	0	0	110.1	I447 A511 F537 L541 V546	I447-V514 HydrophobicContact CB-CG1 4.38Å; I447-V514 HydrophobicContact CD1-CG1 3.7Å; I447-V514 HydrophobicContact CD1-CG2 4.33Å; I447-V514 HydrophobicContact CG1-CG1 4.04Å; I447-V514 HydrophobicContact CG1-CG2 4.02Å; A511-V514 WeakPolarHBondContact O-CB 3.45Å; A511-V514 PolarHBondContact O-N 2.89Å; V514-F537 HydrophobicContact CG2-CE1 4.3Å; V514-F537 HydrophobicContact CG2-CZ 4.04Å; V514-L541 HydrophobicContact CB-CD2 3.56Å; V514-L541 HydrophobicContact CG1-CD2 3.55Å; V514-L541 HydrophobicContact CG2-CD2 4.28Å; V514-V546 WeakPolarHBondContact O-CG2 3.34Å
515	T	96.6	Very high	97.4	Very high	64 Å²	64	30.7 Å²	30.7	39%	0.393	15%	0.148	S	C	.	.			trans	-122.5	-9.4	171.7	48.4	0	0	0	0	112.1	K513 P517	K513-T515 PolarHBondContact O-N 3.26Å; T515-P517 WeakPolarHBondContact O-CD 3.28Å
516	T	97.8	Very high	97.3	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.012	14%	0.144	C	C	.	.	S	Bend	trans	-75.7	126.8	-175.4	-56.7	0	0	0	0	111.4	I447 F454 C457 T518	I447-T516 HydrophobicContact CG2-CG2 3.81Å; F454-T516 HydrophobicContact CB-CG2 4.29Å; F454-T516 VanDerWaalsContact O-CG2 3.25Å; F454-T516 WeakPolarHBondContact O-CG2 3.39Å; F454-T516 PolarHBondContact O-OG1 3.42Å; C457-T516 HydrophobicContact CB-CG2 4.12Å; T516-T518 PolarHBondContact O-N 3.23Å; T516-T518 PolarHBondContact O-OG1 2.93Å
517	P	98	Very high	97	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.026	16%	0.156	C	C	.	.			trans	-52.4	123.6	169.6	-28.8	35.4	0	0	0	112.6	R455 C457 T515 P547 W576 W580	R455-P517 WeakPolarHBondContact O-CD 3.03Å; C457-P517 PolarHBondContact N-O 2.92Å; T515-P517 WeakPolarHBondContact O-CD 3.28Å; P517-P547 VanDerWaalsContact CA-O 3.31Å; P517-P547 WeakPolarHBondContact CA-O 3.35Å; P517-P547 HydrophobicContact CB-CB 4.09Å; P517-P547 HydrophobicContact CG-CB 4.3Å; P517-P547 HydrophobicContact CG-CG 4.21Å; P517-W576 HydrophobicContact CB-CH2 4.47Å; P517-W576 HydrophobicContact CB-CZ2 3.64Å; P517-W576 PolarHBondContact O-NE1 3.06Å; P517-W580 HydrophobicContact CB-CD2 3.52Å; P517-W580 HydrophobicContact CB-CE3 4.08Å; P517-W580 HydrophobicContact CB-CG 3.78Å; P517-W580 HydrophobicContact CB-CH2 4.33Å; P517-W580 HydrophobicContact CB-CZ2 3.83Å; P517-W580 HydrophobicContact CB-CZ3 4.44Å; P517-W580 HydrophobicContact CG-CD2 3.45Å; P517-W580 VanDerWaalsContact CG-CD2 3.45Å; P517-W580 HydrophobicContact CG-CE3 3.46Å; P517-W580 VanDerWaalsContact CG-CE3 3.46Å; P517-W580 HydrophobicContact CG-CG 4.02Å; P517-W580 HydrophobicContact CG-CH2 3.95Å; P517-W580 HydrophobicContact CG-CZ2 3.97Å; P517-W580 HydrophobicContact CG-CZ3 3.7Å
518	T	98.7	Very high	96.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128	-175.1	-54.1	0	0	0	0	113.4	L444 C457 T516 F520 P547 V548 R549 W576	L444-T518 HydrophobicContact CD2-CG2 4.27Å; C457-T518 HydrophobicContact CB-CG2 4.13Å; C457-T518 CarbonylContact O-C 3.5Å; C457-T518 WeakPolarHBondContact O-CA 3.33Å; T516-T518 PolarHBondContact O-N 3.23Å; T516-T518 PolarHBondContact O-OG1 2.93Å; T518-F520 HydrophobicContact CG2-CD2 3.94Å; T518-F520 HydrophobicContact CG2-CE1 4.22Å; T518-F520 HydrophobicContact CG2-CE2 3.42Å; T518-F520 VanDerWaalsContact CG2-CE2 3.42Å; T518-F520 HydrophobicContact CG2-CZ 3.58Å; T518-P547 PolarHBondContact N-O 2.84Å; T518-V548 WeakPolarHBondContact O-CA 3.33Å; T518-R549 PolarHBondContact O-N 3.12Å; T518-R549 VanDerWaalsContact O-N 3.08Å; T518-W576 VanDerWaalsContact C-CZ2 3.46Å
519	L	98.7	Very high	96.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.9	168.4	172.9	64.6	0	0	0	109.6	C457 V458 A459 L521 R549 L551 N572 A573 W576	C457-L519 PolarHBondContact O-N 3.27Å; V458-L519 HydrophobicContact CG1-CD2 4.25Å; V458-L519 HydrophobicContact CG2-CB 4.34Å; V458-L519 HydrophobicContact CG2-CD2 4.27Å; A459-L519 PolarHBondContact N-O 2.84Å; L519-L521 HydrophobicContact CD1-CD2 4.22Å; L519-L521 HydrophobicContact CD2-CD2 4.04Å; L519-L521 HydrophobicContact CD2-CG 4.36Å; L519-L521 HydrophobicContact CG-CD2 4.05Å; L519-L521 HydrophobicContact CG-CG 4.2Å; L519-R549 CarbonylContact C-O 3.55Å; L519-R549 WeakPolarHBondContact CA-O 3.15Å; L519-R549 HydrophobicContact CD1-CB 3.81Å; L519-R549 HydrophobicContact CD1-CG 3.81Å; L519-L551 HydrophobicContact CD1-CD1 4.33Å; L519-L551 HydrophobicContact CD1-CG 4.2Å; L519-N572 HydrophobicContact CD2-CB 4.4Å; L519-A573 HydrophobicContact CD2-CB 4.5Å; L519-W576 HydrophobicContact CB-CB 4.36Å; L519-W576 HydrophobicContact CB-CD2 3.76Å; L519-W576 HydrophobicContact CB-CE3 4.4Å; L519-W576 HydrophobicContact CB-CG 3.73Å; L519-W576 HydrophobicContact CD2-CB 3.91Å; L519-W576 HydrophobicContact CD2-CG 4.19Å
520	F	98.6	Very high	96.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.9	172.4	-67.2	-88.9	0	0	0	110.7	L444 A459 P462 T518 L522 C534 F537 I538 L541 V548 R549 V550 L551	L444-F520 HydrophobicContact CD1-CE1 4.31Å; L444-F520 HydrophobicContact CD2-CE1 4.16Å; L444-F520 HydrophobicContact CD2-CZ 4.19Å; A459-F520 HydrophobicContact CB-CD1 4.38Å; A459-F520 HydrophobicContact CB-CE1 4.46Å; A459-F520 WeakPolarHBondContact O-CA 3.39Å; P462-F520 HydrophobicContact CG-CD1 4.01Å; P462-F520 HydrophobicContact CG-CE1 4.1Å; T518-F520 HydrophobicContact CG2-CD2 3.94Å; T518-F520 HydrophobicContact CG2-CE1 4.22Å; T518-F520 HydrophobicContact CG2-CE2 3.42Å; T518-F520 VanDerWaalsContact CG2-CE2 3.42Å; T518-F520 HydrophobicContact CG2-CZ 3.58Å; F520-L522 HydrophobicContact CB-CD1 4.45Å; F520-L522 HydrophobicContact CB-CD2 4.15Å; F520-L522 HydrophobicContact CB-CG 4.18Å; F520-C534 HydrophobicContact CD1-CB 4.32Å; F520-F537 AromaticContact CZ-CD1 3.94Å; F520-F537 HydrophobicContact CZ-CD1 3.94Å; F520-I538 HydrophobicContact CB-CD1 4.33Å; F520-I538 HydrophobicContact CD1-CD1 4.44Å; F520-I538 HydrophobicContact CD1-CG1 4.44Å; F520-I538 HydrophobicContact CD2-CD1 3.97Å; F520-I538 HydrophobicContact CD2-CG1 3.6Å; F520-I538 HydrophobicContact CE1-CG1 4.42Å; F520-I538 HydrophobicContact CE2-CD1 4.39Å; F520-I538 HydrophobicContact CE2-CG1 3.56Å; F520-I538 HydrophobicContact CG-CD1 3.99Å; F520-I538 HydrophobicContact CG-CG1 4.05Å; F520-I538 HydrophobicContact CZ-CG1 4Å; F520-L541 HydrophobicContact CE2-CD1 4.14Å; F520-L541 HydrophobicContact CZ-CD1 4.33Å; F520-V548 HydrophobicContact CD2-CG1 3.82Å; F520-V548 HydrophobicContact CE2-CG1 3.96Å; F520-R549 PolarHBondContact N-O 2.78Å; F520-V550 HydrophobicContact CB-CG1 4.29Å; F520-V550 HydrophobicContact CB-CG2 4.4Å; F520-V550 HydrophobicContact CD2-CG2 4.5Å; F520-V550 WeakPolarHBondContact O-CA 3.31Å; F520-L551 PolarHBondContact O-N 3.05Å
521	L	98.4	Very high	96.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	106.8	177.6	-59.1	167.7	0	0	0	108.2	V458 A459 L460 N461 L519 L551 Y553 L560 F569	V458-L521 HydrophobicContact CG1-CD1 3.61Å; V458-L521 HydrophobicContact CG1-CG 4.4Å; A459-L521 PolarHBondContact O-N 2.8Å; L460-L521 WeakPolarHBondContact CA-O 3.37Å; L460-L521 HydrophobicContact CB-CB 4.14Å; L460-L521 HydrophobicContact CB-CD1 4.31Å; L460-L521 HydrophobicContact CD1-CB 4.45Å; L460-L521 HydrophobicContact CD1-CD1 4.2Å; L460-L521 HydrophobicContact CG-CB 3.99Å; L460-L521 HydrophobicContact CG-CD1 4.45Å; N461-L521 PolarHBondContact N-O 2.76Å; N461-L521 PolarHBondContact OD1-O 3.19Å; L519-L521 HydrophobicContact CD1-CD2 4.22Å; L519-L521 HydrophobicContact CD2-CD2 4.04Å; L519-L521 HydrophobicContact CD2-CG 4.36Å; L519-L521 HydrophobicContact CG-CD2 4.05Å; L519-L521 HydrophobicContact CG-CG 4.2Å; L521-L551 HydrophobicContact CD2-CB 4.03Å; L521-L551 HydrophobicContact CD2-CD1 3.82Å; L521-L551 HydrophobicContact CD2-CG 4.25Å; L521-Y553 HydrophobicContact CB-CE2 4.28Å; L521-Y553 HydrophobicContact CD2-CE2 4.16Å; L521-L560 HydrophobicContact CB-CD1 3.93Å; L521-F569 HydrophobicContact CD1-CB 3.88Å; L521-F569 HydrophobicContact CD1-CD2 4.04Å; L521-F569 HydrophobicContact CD1-CG 4.25Å; L521-F569 HydrophobicContact CD2-CB 3.97Å; L521-F569 HydrophobicContact CG-CB 4.4Å
522	L	97.9	Very high	95.8	Very high	9 Å²	9	33 Å²	33	5%	0.047	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.8	-163.4	-54.2	-176.2	0	0	0	113	N461 F520 C534 I538 V550 L551 S552 Y553	N461-L522 VanDerWaalsContact OD1-CA 3.24Å; N461-L522 WeakPolarHBondContact OD1-CA 3.32Å; F520-L522 HydrophobicContact CB-CD1 4.45Å; F520-L522 HydrophobicContact CB-CD2 4.15Å; F520-L522 HydrophobicContact CB-CG 4.18Å; L522-C534 HydrophobicContact CD1-CB 3.79Å; L522-C534 HydrophobicContact CD2-CB 3.95Å; L522-C534 WeakPolarHBondContact CD2-SG 3.47Å; L522-I538 HydrophobicContact CD1-CD1 4.44Å; L522-V550 HydrophobicContact CD1-CG1 3.73Å; L522-V550 HydrophobicContact CG-CG1 4.29Å; L522-L551 PolarHBondContact N-O 2.84Å; L522-S552 CarbonylContact O-C 3.53Å; L522-S552 VanDerWaalsContact O-CA 3.29Å; L522-S552 WeakPolarHBondContact O-CA 3.28Å; L522-Y553 PolarHBondContact O-N 2.81Å
523	G	96.4	Very high	95.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	123.4	167.6	0	0	0	0	0	109.4	N461 I525 D526 N556	N461-G523 PolarHBondContact OD1-N 3.29Å; G523-I525 VanDerWaalsContact C-N 3.34Å; G523-I525 PolarHBondContact O-N 3.06Å; G523-D526 WeakPolarHBondContact O-CB 3.36Å; G523-D526 PolarHBondContact O-N 3.18Å; G523-N556 CarbonylContact C-O 3.57Å; G523-N556 WeakPolarHBondContact CA-O 3.18Å
524	K	94.4	Very high	95	Very high	133 Å²	133	22.7 Å²	22.7	58%	0.578	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-29	-173.7	-169.6	156.7	-177.8	173.5	0	113.2	Y553 P554 N556	K524-Y553 WeakPolarHBondContact CB-O 3.49Å; K524-Y553 PolarHBondContact N-O 3.28Å; K524-P554 HydrophobicContact CD-CB 4.43Å; K524-N556 PolarHBondContact N-O 3.26Å
525	I	92.5	Very high	94.8	Very high	82 Å²	82	29 Å²	29	42%	0.421	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	18.8	178.5	60.7	165.5	0	0	0	112.1	G523 L527 N556	G523-I525 VanDerWaalsContact C-N 3.34Å; G523-I525 PolarHBondContact O-N 3.06Å; I525-L527 PolarHBondContact O-N 2.89Å; I525-N556 VanDerWaalsContact CG1-C 3.48Å; I525-N556 WeakPolarHBondContact CG1-O 3.16Å; I525-N556 PolarHBondContact N-O 3.29Å
526	D	94.9	Very high	94.6	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.027	15%	0.145	C	C	.	.			trans	-67.2	116.1	174.3	-173.2	-1.4	0	0	0	110.1	N461 G523 R528 V529 P530 H558	N461-D526 WeakPolarHBondContact CB-OD2 3.45Å; N461-D526 VanDerWaalsContact CG-OD2 3.28Å; G523-D526 WeakPolarHBondContact O-CB 3.36Å; G523-D526 PolarHBondContact O-N 3.18Å; D526-R528 WeakPolarHBondContact OD1-CA 3.21Å; D526-R528 WeakPolarHBondContact OD1-CB 3.21Å; D526-R528 PolarHBondContact OD1-N 3.25Å; D526-V529 PolarHBondContact OD1-N 3.35Å; D526-V529 VanDerWaalsContact OD1-N 3.1Å; D526-P530 WeakPolarHBondContact O-CA 3.46Å; D526-H558 WeakPolarHBondContact OD1-CB 3.46Å; D526-H558 IonicContact OD1-CG 3.52Å; D526-H558 IonicContact OD1-ND1 3.27Å; D526-H558 PolarHBondContact OD1-ND1 2.95Å; D526-H558 WeakPolarHBondContact OD2-CA 3.21Å; D526-H558 IonicContact OD2-CE1 3.1Å; D526-H558 IonicContact OD2-CG 2.97Å; D526-H558 IonicContact OD2-ND1 2.77Å; D526-H558 PolarHBondContact OD2-ND1 2.88Å
527	L	93.4	Very high	94.5	Very high	50 Å²	50	28.6 Å²	28.6	26%	0.262	15%	0.145	S	C	.	.	S	Bend	trans	-96.4	-12.7	173.6	-59.1	-175.2	0	0	0	112.3	H88 N94 S473 D474 I525	H88-L527 VanDerWaalsContact CE1-CD1 3.4Å; H88-L527 WeakPolarHBondContact CE1-CD1 3.09Å; N94-L527 HydrophobicContact CB-CD1 4.3Å; N94-L527 WeakPolarHBondContact OD1-CD1 3.41Å; S473-L527 WeakPolarHBondContact CA-O 3.03Å; D474-L527 HydrophobicContact CB-CB 4.3Å; D474-L527 PolarHBondContact N-O 2.96Å; I525-L527 PolarHBondContact O-N 2.89Å
528	R	94.2	Very high	94.5	Very high	13 Å²	13	29.1 Å²	29.1	5%	0.049	15%	0.147	C	C	.	.	S	Bend	trans	-72.4	-57.4	178.2	-169.5	70.5	68.4	-165.5	29.6	110.6	E91 M469 S473 D474 I475 D526 H558	E91-R528 VanDerWaalsContact CB-NH2 3.28Å; E91-R528 IonicContact OE2-CZ 2.74Å; E91-R528 IonicContact OE2-NH2 3.6Å; E91-R528 PolarHBondContact OE2-NH2 3.25Å; M469-R528 WeakPolarHBondContact CE-O 3.07Å; S473-R528 WeakPolarHBondContact CB-O 3.16Å; S473-R528 PolarHBondContact OG-O 3.29Å; D474-R528 PolarHBondContact O-NH1 3.2Å; D474-R528 WeakPolarHBondContact OD1-CA 3.37Å; D474-R528 WeakPolarHBondContact OD1-CD 3.26Å; D474-R528 IonicContact OD1-CZ 2.66Å; D474-R528 PolarHBondContact OD1-N 2.92Å; D474-R528 IonicContact OD1-NE 3.9Å; D474-R528 IonicContact OD1-NH1 2.89Å; D474-R528 PolarHBondContact OD1-NH1 2.91Å; D474-R528 IonicContact OD2-CZ 3.79Å; D474-R528 IonicContact OD2-NH1 3.76Å; D474-R528 PolarHBondContact OD2-NH1 3.2Å; I475-R528 HydrophobicContact CD1-CG 3.86Å; I475-R528 HydrophobicContact CG1-CG 4.23Å; D526-R528 WeakPolarHBondContact OD1-CA 3.21Å; D526-R528 WeakPolarHBondContact OD1-CB 3.21Å; D526-R528 PolarHBondContact OD1-N 3.25Å; R528-H558 HydrophobicContact CB-CB 3.97Å
529	V	95.9	Very high	94.4	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	17%	0.171	C	C	.	.	S	Bend	trans	-124.2	84.9	174.9	-174.8	0	0	0	0	107.2	P462 V463 M469 D526 S531 H558	P462-V529 VanDerWaalsContact O-CG1 3.24Å; P462-V529 WeakPolarHBondContact O-CG1 3.34Å; V463-V529 HydrophobicContact CG2-CG1 4.25Å; V463-V529 HydrophobicContact CG2-CG2 3.65Å; M469-V529 HydrophobicContact CE-CG2 4.38Å; D526-V529 PolarHBondContact OD1-N 3.35Å; D526-V529 VanDerWaalsContact OD1-N 3.1Å; V529-S531 PolarHBondContact O-N 2.77Å; V529-H558 VanDerWaalsContact CG2-CE1 3.49Å; V529-H558 WeakPolarHBondContact CG2-CE1 3.13Å
530	P	93.7	Very high	94.4	Very high	14 Å²	14	34.8 Å²	34.8	9%	0.091	18%	0.184	C	C	.	.			trans	-52.9	133.3	-175.8	-28.8	35.6	0	0	0	112	C472 D526 S532 Q533	C472-P530 HydrophobicContact CB-CG 4.23Å; C472-P530 VanDerWaalsContact O-CG 3.23Å; C472-P530 WeakPolarHBondContact O-CG 3.5Å; D526-P530 WeakPolarHBondContact O-CA 3.46Å; P530-S532 PolarHBondContact O-N 3Å; P530-Q533 VanDerWaalsContact O-CB 3.27Å; P530-Q533 WeakPolarHBondContact O-CB 3.4Å; P530-Q533 PolarHBondContact O-N 2.98Å
531	S	90.9	Very high	94.3	Very high	31 Å²	31	34.8 Å²	34.8	22%	0.217	18%	0.184	C	C	.	.	H	α-helix	trans	-57.1	-18.4	-177.2	64.3	0	0	0	0	114.4	V529 Q533 C534	V529-S531 PolarHBondContact O-N 2.77Å; S531-Q533 PolarHBondContact O-N 3.4Å; S531-C534 PolarHBondContact O-N 3.42Å
532	S	88.1	Confident	94.3	Very high	61 Å²	61	40.7 Å²	40.7	43%	0.427	21%	0.21	S	C	.	.	H	α-helix	trans	-57.6	-34.1	169.7	48.2	0	0	0	0	113	P530 C534 K535	P530-S532 PolarHBondContact O-N 3Å; S532-C534 VanDerWaalsContact C-N 3.32Å; S532-C534 PolarHBondContact O-N 2.87Å; S532-K535 WeakPolarHBondContact O-CB 3.37Å; S532-K535 PolarHBondContact O-N 3.23Å; S532-K535 VanDerWaalsContact O-N 3.09Å
533	Q	85.5	Confident	94.3	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.019	24%	0.239	C	C	.	.	H	α-helix	trans	-58	-43.1	174.4	-79.1	-133.5	69.7	0	0	112.2	T464 N465 M469 P530 S531 K535 E536	T464-Q533 PolarHBondContact OG1-O 3.34Å; T464-Q533 PolarHBondContact OG1-OE1 3.1Å; N465-Q533 VanDerWaalsContact C-OE1 3.31Å; N465-Q533 PolarHBondContact O-OE1 2.67Å; M469-Q533 PolarHBondContact SD-NE2 2.82Å; P530-Q533 VanDerWaalsContact O-CB 3.27Å; P530-Q533 WeakPolarHBondContact O-CB 3.4Å; P530-Q533 PolarHBondContact O-N 2.98Å; S531-Q533 PolarHBondContact O-N 3.4Å; Q533-K535 PolarHBondContact O-N 2.76Å; Q533-E536 WeakPolarHBondContact O-CG 3.31Å
534	C	92.5	Very high	94.3	Very high	2 Å²	2	51 Å²	51	1%	0.014	26%	0.263	C	S	.	.	H	α-helix	trans	-67.8	-24.9	179.4	-68.3	0	0	0	0	112.4	F520 L522 S531 S532 E536 F537 I538	F520-C534 HydrophobicContact CD1-CB 4.32Å; L522-C534 HydrophobicContact CD1-CB 3.79Å; L522-C534 HydrophobicContact CD2-CB 3.95Å; L522-C534 WeakPolarHBondContact CD2-SG 3.47Å; S531-C534 PolarHBondContact O-N 3.42Å; S532-C534 VanDerWaalsContact C-N 3.32Å; S532-C534 PolarHBondContact O-N 2.87Å; C534-E536 PolarHBondContact O-N 3.38Å; C534-F537 PolarHBondContact O-N 2.73Å; C534-I538 HydrophobicContact CB-CD1 3.89Å; C534-I538 VanDerWaalsContact O-CB 3.28Å; C534-I538 WeakPolarHBondContact O-CB 3.38Å; C534-I538 VanDerWaalsContact O-CD1 3.26Å; C534-I538 WeakPolarHBondContact O-CD1 3.46Å; C534-I538 WeakPolarHBondContact O-CG1 3.46Å; C534-I538 PolarHBondContact O-N 3.14Å
535	K	92.9	Very high	94.4	Very high	133 Å²	133	51.8 Å²	51.8	58%	0.578	27%	0.273	S	S	*	.	H	α-helix	trans	-63.5	-39.3	-176.7	-64.6	-179.1	-176.5	174.6	0	112.7	S532 Q533 S539	S532-K535 WeakPolarHBondContact O-CB 3.37Å; S532-K535 PolarHBondContact O-N 3.23Å; S532-K535 VanDerWaalsContact O-N 3.09Å; Q533-K535 PolarHBondContact O-N 2.76Å; K535-S539 VanDerWaalsContact O-CB 3.3Å; K535-S539 WeakPolarHBondContact O-CB 3.36Å; K535-S539 PolarHBondContact O-N 2.96Å; K535-S539 PolarHBondContact O-OG 2.67Å
536	E	92.9	Very high	94.6	Very high	58 Å²	58	48.6 Å²	48.6	27%	0.271	26%	0.258	S	S	.	.	H	α-helix	trans	-63	-49	176.8	43.2	161.5	-127.9	0	0	110.9	T464 N465 I508 Q533 C534 S539 V540	T464-E536 PolarHBondContact OG1-OE1 2.66Å; N465-E536 WeakPolarHBondContact CB-OE1 3.35Å; N465-E536 PolarHBondContact ND2-OE2 2.86Å; I508-E536 HydrophobicContact CD1-CB 4.34Å; I508-E536 HydrophobicContact CD1-CG 4.28Å; Q533-E536 WeakPolarHBondContact O-CG 3.31Å; C534-E536 PolarHBondContact O-N 3.38Å; E536-S539 PolarHBondContact O-N 2.92Å; E536-V540 PolarHBondContact O-N 3.08Å
537	F	97.2	Very high	94.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.1	-46.7	180	-154.9	-74.8	0	0	0	111.3	L444 T464 P507 I508 A511 V514 F520 C534 S539 V540 L541	L444-F537 HydrophobicContact CB-CE2 4.25Å; L444-F537 HydrophobicContact CB-CZ 4.15Å; L444-F537 HydrophobicContact CD1-CD2 4.25Å; L444-F537 HydrophobicContact CD1-CE2 4.23Å; L444-F537 HydrophobicContact CD1-CG 4.47Å; L444-F537 HydrophobicContact CD1-CZ 4.43Å; L444-F537 HydrophobicContact CD2-CD1 4.43Å; L444-F537 HydrophobicContact CD2-CE1 3.93Å; L444-F537 HydrophobicContact CD2-CZ 4.05Å; L444-F537 HydrophobicContact CG-CZ 4.44Å; T464-F537 HydrophobicContact CG2-CB 4Å; T464-F537 HydrophobicContact CG2-CD2 4.3Å; T464-F537 HydrophobicContact CG2-CG 4.39Å; P507-F537 HydrophobicContact CB-CE2 4.2Å; I508-F537 HydrophobicContact CB-CD2 4.37Å; I508-F537 HydrophobicContact CD1-CB 3.95Å; I508-F537 HydrophobicContact CD1-CD2 3.67Å; I508-F537 HydrophobicContact CD1-CG 4.12Å; A511-F537 HydrophobicContact CB-CD2 4.06Å; A511-F537 HydrophobicContact CB-CE1 4.28Å; A511-F537 HydrophobicContact CB-CE2 3.81Å; A511-F537 HydrophobicContact CB-CG 4.41Å; A511-F537 HydrophobicContact CB-CZ 3.94Å; V514-F537 HydrophobicContact CG2-CE1 4.3Å; V514-F537 HydrophobicContact CG2-CZ 4.04Å; F520-F537 AromaticContact CZ-CD1 3.94Å; F520-F537 HydrophobicContact CZ-CD1 3.94Å; C534-F537 PolarHBondContact O-N 2.73Å; F537-S539 VanDerWaalsContact C-N 3.26Å; F537-S539 PolarHBondContact O-N 2.89Å; F537-V540 PolarHBondContact O-N 3.29Å; F537-L541 HydrophobicContact CD1-CD1 3.89Å; F537-L541 HydrophobicContact CD1-CD2 4.4Å; F537-L541 HydrophobicContact CD1-CG 3.92Å; F537-L541 HydrophobicContact CE1-CD1 3.88Å; F537-L541 HydrophobicContact CE1-CD2 4.02Å; F537-L541 HydrophobicContact CE1-CG 3.99Å; F537-L541 WeakPolarHBondContact O-CG 3.45Å; F537-L541 PolarHBondContact O-N 3.27Å; F537-L541 VanDerWaalsContact O-N 3.08Å
538	I	97.5	Very high	95	Very high	14 Å²	14	49.7 Å²	49.7	7%	0.072	27%	0.268	C	S	.	.	H	α-helix	trans	-58	-39.8	176.4	-71.1	161	0	0	0	111.2	F520 L522 C534 L541 K542 V548 V550	F520-I538 HydrophobicContact CB-CD1 4.33Å; F520-I538 HydrophobicContact CD1-CD1 4.44Å; F520-I538 HydrophobicContact CD1-CG1 4.44Å; F520-I538 HydrophobicContact CD2-CD1 3.97Å; F520-I538 HydrophobicContact CD2-CG1 3.6Å; F520-I538 HydrophobicContact CE1-CG1 4.42Å; F520-I538 HydrophobicContact CE2-CD1 4.39Å; F520-I538 HydrophobicContact CE2-CG1 3.56Å; F520-I538 HydrophobicContact CG-CD1 3.99Å; F520-I538 HydrophobicContact CG-CG1 4.05Å; F520-I538 HydrophobicContact CZ-CG1 4Å; L522-I538 HydrophobicContact CD1-CD1 4.44Å; C534-I538 HydrophobicContact CB-CD1 3.89Å; C534-I538 VanDerWaalsContact O-CB 3.28Å; C534-I538 WeakPolarHBondContact O-CB 3.38Å; C534-I538 VanDerWaalsContact O-CD1 3.26Å; C534-I538 WeakPolarHBondContact O-CD1 3.46Å; C534-I538 WeakPolarHBondContact O-CG1 3.46Å; C534-I538 PolarHBondContact O-N 3.14Å; I538-L541 PolarHBondContact O-N 2.91Å; I538-K542 HydrophobicContact CG2-CD 3.91Å; I538-K542 HydrophobicContact CG2-CG 4.25Å; I538-K542 WeakPolarHBondContact O-CB 3.38Å; I538-K542 WeakPolarHBondContact O-CG 3.44Å; I538-K542 PolarHBondContact O-N 3.46Å; I538-V548 HydrophobicContact CG1-CG1 4.3Å; I538-V548 HydrophobicContact CG2-CG1 4.16Å; I538-V550 HydrophobicContact CD1-CG1 4.24Å; I538-V550 HydrophobicContact CD1-CG2 3.62Å; I538-V550 HydrophobicContact CG1-CG2 4.2Å; I538-V550 HydrophobicContact CG2-CG2 4.28Å
539	S	97	Very high	95.2	Very high	74 Å²	74	53.8 Å²	53.8	52%	0.517	28%	0.283	S	S	.	.	H	α-helix	trans	-65.6	-40.5	-179.3	-61.6	0	0	0	0	111.8	K535 E536 F537 S543	K535-S539 VanDerWaalsContact O-CB 3.3Å; K535-S539 WeakPolarHBondContact O-CB 3.36Å; K535-S539 PolarHBondContact O-N 2.96Å; K535-S539 PolarHBondContact O-OG 2.67Å; E536-S539 PolarHBondContact O-N 2.92Å; F537-S539 VanDerWaalsContact C-N 3.26Å; F537-S539 PolarHBondContact O-N 2.89Å; S539-S543 WeakPolarHBondContact O-CB 3.4Å; S539-S543 PolarHBondContact O-N 3.11Å; S539-S543 PolarHBondContact O-OG 3.04Å
540	V	97.2	Very high	95.3	Very high	45 Å²	45	56.3 Å²	56.3	27%	0.273	30%	0.298	S	S	.	.	H	α-helix	trans	-64.3	-43.5	174.9	177.6	0	0	0	0	111.4	A511 E536 F537 S543 R544	A511-V540 HydrophobicContact CB-CB 4.07Å; A511-V540 HydrophobicContact CB-CG1 3.74Å; A511-V540 HydrophobicContact CB-CG2 4.47Å; E536-V540 PolarHBondContact O-N 3.08Å; F537-V540 PolarHBondContact O-N 3.29Å; V540-S543 PolarHBondContact O-OG 3.29Å; V540-R544 VanDerWaalsContact O-CG 3.31Å; V540-R544 WeakPolarHBondContact O-CG 3.36Å; V540-R544 PolarHBondContact O-N 3.22Å
541	L	97.9	Very high	95.5	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-45.6	178.2	-65.6	-168.7	0	0	0	111.9	V514 F520 F537 I538 R544 N545 V546 V548	V514-L541 HydrophobicContact CB-CD2 3.56Å; V514-L541 HydrophobicContact CG1-CD2 3.55Å; V514-L541 HydrophobicContact CG2-CD2 4.28Å; F520-L541 HydrophobicContact CE2-CD1 4.14Å; F520-L541 HydrophobicContact CZ-CD1 4.33Å; F537-L541 HydrophobicContact CD1-CD1 3.89Å; F537-L541 HydrophobicContact CD1-CD2 4.4Å; F537-L541 HydrophobicContact CD1-CG 3.92Å; F537-L541 HydrophobicContact CE1-CD1 3.88Å; F537-L541 HydrophobicContact CE1-CD2 4.02Å; F537-L541 HydrophobicContact CE1-CG 3.99Å; F537-L541 WeakPolarHBondContact O-CG 3.45Å; F537-L541 PolarHBondContact O-N 3.27Å; F537-L541 VanDerWaalsContact O-N 3.08Å; I538-L541 PolarHBondContact O-N 2.91Å; L541-R544 CarbonylContact O-C 3.59Å; L541-R544 PolarHBondContact O-N 2.84Å; L541-N545 PolarHBondContact O-N 2.9Å; L541-V546 HydrophobicContact CB-CB 4.09Å; L541-V546 HydrophobicContact CD2-CB 4.36Å; L541-V546 HydrophobicContact CD2-CG1 4.36Å; L541-V546 HydrophobicContact CD2-CG2 4.41Å; L541-V546 WeakPolarHBondContact O-CB 3.47Å; L541-V546 PolarHBondContact O-N 3.4Å; L541-V548 HydrophobicContact CB-CG2 3.49Å; L541-V548 VanDerWaalsContact CB-CG2 3.49Å; L541-V548 HydrophobicContact CD1-CG2 3.57Å; L541-V548 HydrophobicContact CG-CG2 4.2Å
542	K	97.8	Very high	95.8	Very high	124 Å²	124	58.7 Å²	58.7	54%	0.539	31%	0.313	S	S	.	.	H	α-helix	trans	-63.7	-41.4	178.8	-76.4	-176.8	175.2	-175.2	0	112.6	I538 R544 N545	I538-K542 HydrophobicContact CG2-CD 3.91Å; I538-K542 HydrophobicContact CG2-CG 4.25Å; I538-K542 WeakPolarHBondContact O-CB 3.38Å; I538-K542 WeakPolarHBondContact O-CG 3.44Å; I538-K542 PolarHBondContact O-N 3.46Å; K542-R544 PolarHBondContact O-N 3.22Å; K542-N545 PolarHBondContact O-N 2.87Å; K542-N545 VanDerWaalsContact O-N 3.07Å
543	S	97.7	Very high	96.2	Very high	93 Å²	93	56.6 Å²	56.6	65%	0.65	30%	0.296	S	S	*	.	H	α-helix	trans	-64.8	-19.6	178.5	69.5	0	0	0	0	113	S539 V540	S539-S543 WeakPolarHBondContact O-CB 3.4Å; S539-S543 PolarHBondContact O-N 3.11Å; S539-S543 PolarHBondContact O-OG 3.04Å; V540-S543 PolarHBondContact O-OG 3.29Å
544	R	96.4	Very high	96.6	Very high	132 Å²	132	60.6 Å²	60.6	50%	0.498	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	11	177.1	-62.4	177.6	65.4	84.6	2.6	113.4	E512 V540 L541 K542 V546	E512-R544 PolarHBondContact O-NE 3.03Å; E512-R544 PolarHBondContact O-NH2 2.85Å; V540-R544 VanDerWaalsContact O-CG 3.31Å; V540-R544 WeakPolarHBondContact O-CG 3.36Å; V540-R544 PolarHBondContact O-N 3.22Å; L541-R544 CarbonylContact O-C 3.59Å; L541-R544 PolarHBondContact O-N 2.84Å; K542-R544 PolarHBondContact O-N 3.22Å; R544-V546 HydrophobicContact CB-CG2 4.19Å; R544-V546 PolarHBondContact O-N 2.84Å; R544-V546 VanDerWaalsContact O-N 3.17Å
545	N	96.5	Very high	96.6	Very high	151 Å²	151	66.4 Å²	66.4	81%	0.807	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	25.2	-176.8	-58.4	-49.6	0	0	0	114.2	L541 K542	L541-N545 PolarHBondContact O-N 2.9Å; K542-N545 PolarHBondContact O-N 2.87Å; K542-N545 VanDerWaalsContact O-N 3.07Å
546	V	97.3	Very high	96.6	Very high	15 Å²	15	60.3 Å²	60.3	9%	0.091	32%	0.323	C	S	.	.			trans	-73.3	130.9	172.2	179.9	0	0	0	0	108.2	V514 L541 R544 V548	V514-V546 WeakPolarHBondContact O-CG2 3.34Å; L541-V546 HydrophobicContact CB-CB 4.09Å; L541-V546 HydrophobicContact CD2-CB 4.36Å; L541-V546 HydrophobicContact CD2-CG1 4.36Å; L541-V546 HydrophobicContact CD2-CG2 4.41Å; L541-V546 WeakPolarHBondContact O-CB 3.47Å; L541-V546 PolarHBondContact O-N 3.4Å; R544-V546 HydrophobicContact CB-CG2 4.19Å; R544-V546 PolarHBondContact O-N 2.84Å; R544-V546 VanDerWaalsContact O-N 3.17Å; V546-V548 PolarHBondContact O-N 2.65Å
547	P	97.5	Very high	96.6	Very high	46 Å²	46	58.3 Å²	58.3	30%	0.299	32%	0.315	S	S	.	.			trans	-61.1	120.4	179.7	-24.7	34.3	0	0	0	112.1	P517 T518 W580	P517-P547 VanDerWaalsContact CA-O 3.31Å; P517-P547 WeakPolarHBondContact CA-O 3.35Å; P517-P547 HydrophobicContact CB-CB 4.09Å; P517-P547 HydrophobicContact CG-CB 4.3Å; P517-P547 HydrophobicContact CG-CG 4.21Å; T518-P547 PolarHBondContact N-O 2.84Å; P547-W580 HydrophobicContact CB-CH2 3.59Å; P547-W580 HydrophobicContact CB-CZ2 3.41Å; P547-W580 VanDerWaalsContact CB-CZ2 3.41Å; P547-W580 HydrophobicContact CG-CH2 3.46Å; P547-W580 VanDerWaalsContact CG-CH2 3.46Å; P547-W580 HydrophobicContact CG-CZ2 3.86Å; P547-W580 HydrophobicContact CG-CZ3 4.3Å
548	V	98.2	Very high	96.5	Very high	32 Å²	32	59.8 Å²	59.8	19%	0.194	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	134.2	179.2	175	0	0	0	0	110.4	T518 F520 I538 L541 V546 V550	T518-V548 WeakPolarHBondContact O-CA 3.33Å; F520-V548 HydrophobicContact CD2-CG1 3.82Å; F520-V548 HydrophobicContact CE2-CG1 3.96Å; I538-V548 HydrophobicContact CG1-CG1 4.3Å; I538-V548 HydrophobicContact CG2-CG1 4.16Å; L541-V548 HydrophobicContact CB-CG2 3.49Å; L541-V548 VanDerWaalsContact CB-CG2 3.49Å; L541-V548 HydrophobicContact CD1-CG2 3.57Å; L541-V548 HydrophobicContact CG-CG2 4.2Å; V546-V548 PolarHBondContact O-N 2.65Å; V548-V550 HydrophobicContact CG1-CG2 3.9Å
549	R	98.2	Very high	96.2	Very high	98 Å²	98	61.5 Å²	61.5	37%	0.37	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.8	166.6	-174.5	172.7	-177.5	-156.4	-5.7	109.4	T518 L519 F520 N572 W576	T518-R549 PolarHBondContact O-N 3.12Å; T518-R549 VanDerWaalsContact O-N 3.08Å; L519-R549 CarbonylContact C-O 3.55Å; L519-R549 WeakPolarHBondContact CA-O 3.15Å; L519-R549 HydrophobicContact CD1-CB 3.81Å; L519-R549 HydrophobicContact CD1-CG 3.81Å; F520-R549 PolarHBondContact N-O 2.78Å; R549-N572 PolarHBondContact NH1-OD1 2.97Å; R549-N572 PolarHBondContact NH2-OD1 3.27Å; R549-W576 HydrophobicContact CB-CE3 4.11Å; R549-W576 HydrophobicContact CB-CH2 3.88Å; R549-W576 HydrophobicContact CB-CZ3 3.49Å; R549-W576 VanDerWaalsContact CB-CZ3 3.49Å; R549-W576 HydrophobicContact CG-CZ3 4.48Å
550	V	98.1	Very high	96.1	Very high	55 Å²	55	58 Å²	58	33%	0.333	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	122.4	-179.4	-171.9	0	0	0	0	107.9	F520 L522 I538 V548	F520-V550 HydrophobicContact CB-CG1 4.29Å; F520-V550 HydrophobicContact CB-CG2 4.4Å; F520-V550 HydrophobicContact CD2-CG2 4.5Å; F520-V550 WeakPolarHBondContact O-CA 3.31Å; L522-V550 HydrophobicContact CD1-CG1 3.73Å; L522-V550 HydrophobicContact CG-CG1 4.29Å; I538-V550 HydrophobicContact CD1-CG1 4.24Å; I538-V550 HydrophobicContact CD1-CG2 3.62Å; I538-V550 HydrophobicContact CG1-CG2 4.2Å; I538-V550 HydrophobicContact CG2-CG2 4.28Å; V548-V550 HydrophobicContact CG1-CG2 3.9Å
551	L	98	Very high	95.8	Very high	30 Å²	30	60.6 Å²	60.6	16%	0.157	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.4	169.6	-57	-179.6	0	0	0	107.7	L519 F520 L521 L522 Y553 N572	L519-L551 HydrophobicContact CD1-CD1 4.33Å; L519-L551 HydrophobicContact CD1-CG 4.2Å; F520-L551 PolarHBondContact O-N 3.05Å; L521-L551 HydrophobicContact CD2-CB 4.03Å; L521-L551 HydrophobicContact CD2-CD1 3.82Å; L521-L551 HydrophobicContact CD2-CG 4.25Å; L522-L551 PolarHBondContact N-O 2.84Å; L551-Y553 HydrophobicContact CB-CE2 3.98Å; L551-N572 HydrophobicContact CD1-CB 3.56Å; L551-N572 VanDerWaalsContact CD1-CG 3.45Å
552	S	96.9	Very high	95.5	Very high	65 Å²	65	64.4 Å²	64.4	46%	0.455	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.1	179.7	-176.1	0	0	0	0	109.6	L522 P554	L522-S552 CarbonylContact O-C 3.53Å; L522-S552 VanDerWaalsContact O-CA 3.29Å; L522-S552 WeakPolarHBondContact O-CA 3.28Å; S552-P554 WeakPolarHBondContact O-CD 3.3Å
553	Y	97	Very high	95.3	Very high	18 Å²	18	64 Å²	64	7%	0.071	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	104.4	-175.1	-61.6	-83.9	0	0	0	109.1	L521 L522 K524 L551 E555 N556 L560 A565 D568 F569	L521-Y553 HydrophobicContact CB-CE2 4.28Å; L521-Y553 HydrophobicContact CD2-CE2 4.16Å; L522-Y553 PolarHBondContact O-N 2.81Å; K524-Y553 WeakPolarHBondContact CB-O 3.49Å; K524-Y553 PolarHBondContact N-O 3.28Å; L551-Y553 HydrophobicContact CB-CE2 3.98Å; Y553-E555 VanDerWaalsContact C-N 3.32Å; Y553-E555 PolarHBondContact O-N 2.66Å; Y553-N556 PolarHBondContact O-N 3.07Å; Y553-L560 HydrophobicContact CD2-CD1 3.6Å; Y553-L560 HydrophobicContact CD2-CD2 3.81Å; Y553-L560 HydrophobicContact CD2-CG 4.36Å; Y553-L560 HydrophobicContact CE2-CD1 3.71Å; Y553-L560 HydrophobicContact CG-CD1 4.5Å; Y553-L560 HydrophobicContact CG-CD2 4.14Å; Y553-A565 HydrophobicContact CD1-CB 3.58Å; Y553-A565 HydrophobicContact CE1-CB 4.02Å; Y553-A565 HydrophobicContact CG-CB 4.14Å; Y553-D568 HydrophobicContact CE1-CB 4.18Å; Y553-D568 VanDerWaalsContact CE1-OD2 3.3Å; Y553-D568 WeakPolarHBondContact CE1-OD2 3.16Å; Y553-D568 PolarHBondContact OH-OD2 2.95Å; Y553-F569 HydrophobicContact CE2-CB 4.31Å; Y553-F569 WeakPolarHBondContact OH-CA 3.4Å; Y553-F569 WeakPolarHBondContact OH-CB 3.41Å; Y553-F569 PolarHBondContact OH-N 3.35Å
554	P	94	Very high	95.1	Very high	88 Å²	88	64.6 Å²	64.6	57%	0.571	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-34	-165.7	22.2	-32	0	0	0	113.8	K524 S552	K524-P554 HydrophobicContact CD-CB 4.43Å; S552-P554 WeakPolarHBondContact O-CD 3.3Å
555	E	91.6	Very high	95.1	Very high	124 Å²	124	58.4 Å²	58.4	58%	0.579	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	9.8	-175.4	-48.7	-174.8	165.3	0	0	113.5	Y553 K562	Y553-E555 VanDerWaalsContact C-N 3.32Å; Y553-E555 PolarHBondContact O-N 2.66Å; E555-K562 HydrophobicContact CB-CD 4.21Å; E555-K562 WeakPolarHBondContact O-CE 3.23Å; E555-K562 IonicContact OE2-NZ 3.43Å; E555-K562 PolarHBondContact OE2-NZ 3.29Å
556	N	94.2	Very high	95	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.027	30%	0.297	C	S	.	.			trans	-106.6	141.8	178.3	-77.2	-80.9	0	0	0	111.4	G523 K524 I525 Y553 L560 N561 K562 A565	G523-N556 CarbonylContact C-O 3.57Å; G523-N556 WeakPolarHBondContact CA-O 3.18Å; K524-N556 PolarHBondContact N-O 3.26Å; I525-N556 VanDerWaalsContact CG1-C 3.48Å; I525-N556 WeakPolarHBondContact CG1-O 3.16Å; I525-N556 PolarHBondContact N-O 3.29Å; Y553-N556 PolarHBondContact O-N 3.07Å; N556-L560 HydrophobicContact CB-CD2 3.5Å; N556-L560 VanDerWaalsContact CB-CD2 3.5Å; N556-N561 PolarHBondContact OD1-N 2.7Å; N556-K562 WeakPolarHBondContact OD1-CB 3.39Å; N556-K562 VanDerWaalsContact OD1-CG 3.3Å; N556-K562 WeakPolarHBondContact OD1-CG 3.47Å; N556-K562 PolarHBondContact OD1-N 2.92Å; N556-K562 VanDerWaalsContact OD1-N 3.1Å; N556-A565 WeakPolarHBondContact ND2-CB 3.41Å
557	S	93.2	Very high	94.9	Very high	16 Å²	16	57.7 Å²	57.7	11%	0.112	32%	0.317	C	S	.	.			trans	-92.9	-155.3	169.1	-170.9	0	0	0	0	110.3	P559 L560	S557-P559 VanDerWaalsContact C-CD 3.45Å; S557-L560 PolarHBondContact O-N 3.48Å
558	H	94.4	Very high	94.9	Very high	30 Å²	30	58.6 Å²	58.6	14%	0.139	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-39.6	-172.5	-162.9	56.3	0	0	0	117.6	S437 N461 D526 R528 V529	S437-H558 WeakPolarHBondContact CB-NE2 3.43Å; S437-H558 PolarHBondContact OG-CE1 2.88Å; S437-H558 PolarHBondContact OG-NE2 2.85Å; N461-H558 PolarHBondContact ND2-O 2.91Å; D526-H558 WeakPolarHBondContact OD1-CB 3.46Å; D526-H558 IonicContact OD1-CG 3.52Å; D526-H558 IonicContact OD1-ND1 3.27Å; D526-H558 PolarHBondContact OD1-ND1 2.95Å; D526-H558 WeakPolarHBondContact OD2-CA 3.21Å; D526-H558 IonicContact OD2-CE1 3.1Å; D526-H558 IonicContact OD2-CG 2.97Å; D526-H558 IonicContact OD2-ND1 2.77Å; D526-H558 PolarHBondContact OD2-ND1 2.88Å; R528-H558 HydrophobicContact CB-CB 3.97Å; V529-H558 VanDerWaalsContact CG2-CE1 3.49Å; V529-H558 WeakPolarHBondContact CG2-CE1 3.13Å
559	P	91.6	Very high	94.8	Very high	50 Å²	50	57.7 Å²	57.7	33%	0.325	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-10.2	-173.6	34.5	-37.8	0	0	0	114.7	Q92 S557 N561	Q92-P559 VanDerWaalsContact NE2-CD 3.27Å; S557-P559 VanDerWaalsContact C-CD 3.45Å; P559-N561 VanDerWaalsContact C-N 3.35Å; P559-N561 HydrophobicContact CB-CB 4.2Å; P559-N561 HydrophobicContact CG-CB 4.02Å; P559-N561 PolarHBondContact O-N 2.82Å
560	L	94.6	Very high	94.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.298	C	S	.	.			trans	49.5	48.7	-169.8	-57.3	-170.1	0	0	0	113.9	L460 L521 Y553 N556 S557 F569	L460-L560 HydrophobicContact CD1-CB 4.47Å; L460-L560 HydrophobicContact CD1-CD1 3.79Å; L460-L560 HydrophobicContact CD1-CG 4.34Å; L460-L560 HydrophobicContact CD2-CD1 4.01Å; L460-L560 HydrophobicContact CD2-CG 3.97Å; L460-L560 HydrophobicContact CG-CD1 3.65Å; L460-L560 HydrophobicContact CG-CG 4.18Å; L521-L560 HydrophobicContact CB-CD1 3.93Å; Y553-L560 HydrophobicContact CD2-CD1 3.6Å; Y553-L560 HydrophobicContact CD2-CD2 3.81Å; Y553-L560 HydrophobicContact CD2-CG 4.36Å; Y553-L560 HydrophobicContact CE2-CD1 3.71Å; Y553-L560 HydrophobicContact CG-CD1 4.5Å; Y553-L560 HydrophobicContact CG-CD2 4.14Å; N556-L560 HydrophobicContact CB-CD2 3.5Å; N556-L560 VanDerWaalsContact CB-CD2 3.5Å; S557-L560 PolarHBondContact O-N 3.48Å; L560-F569 HydrophobicContact CB-CD1 4Å; L560-F569 HydrophobicContact CB-CE1 4.13Å; L560-F569 HydrophobicContact CD1-CD1 4.27Å
561	N	90.5	Very high	94.7	Very high	100 Å²	100	56 Å²	56	54%	0.535	31%	0.31	S	S	.	.			trans	-98.9	6.5	-168.8	65.8	-14.3	0	0	0	115.4	N556 P559	N556-N561 PolarHBondContact OD1-N 2.7Å; P559-N561 VanDerWaalsContact C-N 3.35Å; P559-N561 HydrophobicContact CB-CB 4.2Å; P559-N561 HydrophobicContact CG-CB 4.02Å; P559-N561 PolarHBondContact O-N 2.82Å
562	K	91.9	Very high	94.7	Very high	80 Å²	80	55.6 Å²	55.6	35%	0.348	31%	0.308	S	S	.	.	S	Bend	trans	-69.8	141.7	166.3	-68.5	-170.6	175.2	-162.6	0	109.8	E555 N556 D564 A565 E566	E555-K562 HydrophobicContact CB-CD 4.21Å; E555-K562 WeakPolarHBondContact O-CE 3.23Å; E555-K562 IonicContact OE2-NZ 3.43Å; E555-K562 PolarHBondContact OE2-NZ 3.29Å; N556-K562 WeakPolarHBondContact OD1-CB 3.39Å; N556-K562 VanDerWaalsContact OD1-CG 3.3Å; N556-K562 WeakPolarHBondContact OD1-CG 3.47Å; N556-K562 PolarHBondContact OD1-N 2.92Å; N556-K562 VanDerWaalsContact OD1-N 3.1Å; K562-D564 VanDerWaalsContact C-N 3.29Å; K562-D564 WeakPolarHBondContact CB-OD1 3.43Å; K562-D564 PolarHBondContact O-N 3.38Å; K562-A565 HydrophobicContact CB-CB 4.47Å; K562-A565 PolarHBondContact O-N 2.96Å; K562-E566 PolarHBondContact O-N 3.21Å
563	V	92.8	Very high	94.8	Very high	115 Å²	115	52.5 Å²	52.5	70%	0.697	29%	0.286	S	S	*	.	H	α-helix	trans	-54.3	-42.8	-173	178.1	0	0	0	0	112.8	C567	V563-C567 PolarHBondContact O-N 2.75Å; V563-C567 VanDerWaalsContact O-N 3.13Å; V563-C567 PolarHBondContact O-SG 2.86Å
564	D	94.4	Very high	94.9	Very high	107 Å²	107	53.2 Å²	53.2	57%	0.572	29%	0.291	S	S	*	.	H	α-helix	trans	-65.7	-44	178.5	62.1	-33.8	0	0	0	112.1	K562 D568	K562-D564 VanDerWaalsContact C-N 3.29Å; K562-D564 WeakPolarHBondContact CB-OD1 3.43Å; K562-D564 PolarHBondContact O-N 3.38Å; D564-D568 WeakPolarHBondContact O-CB 3.25Å; D564-D568 PolarHBondContact O-N 3.08Å
565	A	96	Very high	95	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.008	29%	0.286	C	S	.	.	H	α-helix	trans	-68.5	-40.4	177.4	0	0	0	0	0	112.4	Y553 N556 K562 D568 F569	Y553-A565 HydrophobicContact CD1-CB 3.58Å; Y553-A565 HydrophobicContact CE1-CB 4.02Å; Y553-A565 HydrophobicContact CG-CB 4.14Å; N556-A565 WeakPolarHBondContact ND2-CB 3.41Å; K562-A565 HydrophobicContact CB-CB 4.47Å; K562-A565 PolarHBondContact O-N 2.96Å; A565-D568 PolarHBondContact O-N 2.88Å; A565-F569 WeakPolarHBondContact O-CB 3.46Å; A565-F569 WeakPolarHBondContact O-CD1 3.28Å; A565-F569 PolarHBondContact O-N 2.87Å
566	E	94.2	Very high	95.4	Very high	78 Å²	78	46.6 Å²	46.6	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-60.6	-46.4	176.9	-169.6	178.9	-176	0	0	111.6	K562 F569 A570	K562-E566 PolarHBondContact O-N 3.21Å; E566-F569 VanDerWaalsContact CA-CE1 3.46Å; E566-F569 HydrophobicContact CB-CE1 4.07Å; E566-F569 HydrophobicContact CG-CE1 3.91Å; E566-F569 HydrophobicContact CG-CZ 4.12Å; E566-A570 WeakPolarHBondContact O-CB 3.39Å; E566-A570 PolarHBondContact O-N 2.94Å; E566-A570 VanDerWaalsContact O-N 3.15Å
567	C	95	Very high	95.6	Very high	73 Å²	73	46.3 Å²	46.3	49%	0.493	26%	0.26	S	S	.	.	H	α-helix	trans	-62.4	-48.7	175.5	-66.1	0	0	0	0	111.8	V563 L571	V563-C567 PolarHBondContact O-N 2.75Å; V563-C567 VanDerWaalsContact O-N 3.13Å; V563-C567 PolarHBondContact O-SG 2.86Å; C567-L571 WeakPolarHBondContact O-CG 3.11Å; C567-L571 PolarHBondContact O-N 2.84Å
568	D	97.7	Very high	95.7	Very high	65 Å²	65	48.2 Å²	48.2	35%	0.348	27%	0.269	S	S	.	.	H	α-helix	trans	-64.5	-47.5	-177.1	177.7	80	0	0	0	111.9	Y553 D564 A565 A570 L571 N572	Y553-D568 HydrophobicContact CE1-CB 4.18Å; Y553-D568 VanDerWaalsContact CE1-OD2 3.3Å; Y553-D568 WeakPolarHBondContact CE1-OD2 3.16Å; Y553-D568 PolarHBondContact OH-OD2 2.95Å; D564-D568 WeakPolarHBondContact O-CB 3.25Å; D564-D568 PolarHBondContact O-N 3.08Å; A565-D568 PolarHBondContact O-N 2.88Å; D568-A570 VanDerWaalsContact C-N 3.31Å; D568-A570 PolarHBondContact O-N 2.76Å; D568-L571 PolarHBondContact O-N 3.26Å; D568-N572 VanDerWaalsContact CG-ND2 3.25Å; D568-N572 WeakPolarHBondContact O-CB 3.24Å; D568-N572 PolarHBondContact O-N 3.38Å; D568-N572 PolarHBondContact O-ND2 3.04Å; D568-N572 PolarHBondContact OD1-ND2 3.24Å; D568-N572 PolarHBondContact OD2-ND2 3.27Å
569	F	97.2	Very high	95.8	Very high	13 Å²	13	54 Å²	54	6%	0.057	29%	0.289	C	S	.	.	H	α-helix	trans	-66.4	-37.4	-177.5	89.6	-121	0	0	0	110.9	L370 F434 L460 L521 Y553 L560 A565 E566 N572 A573	L370-F569 HydrophobicContact CD1-CE2 3.58Å; L370-F569 HydrophobicContact CD1-CZ 3.85Å; F434-F569 HydrophobicContact CZ-CE2 4.28Å; L460-F569 HydrophobicContact CD1-CD1 4.3Å; L460-F569 HydrophobicContact CD1-CD2 4.14Å; L460-F569 HydrophobicContact CD1-CE1 4.22Å; L460-F569 HydrophobicContact CD1-CE2 4.11Å; L460-F569 HydrophobicContact CD1-CG 4.31Å; L460-F569 HydrophobicContact CD1-CZ 4.18Å; L521-F569 HydrophobicContact CD1-CB 3.88Å; L521-F569 HydrophobicContact CD1-CD2 4.04Å; L521-F569 HydrophobicContact CD1-CG 4.25Å; L521-F569 HydrophobicContact CD2-CB 3.97Å; L521-F569 HydrophobicContact CG-CB 4.4Å; Y553-F569 HydrophobicContact CE2-CB 4.31Å; Y553-F569 WeakPolarHBondContact OH-CA 3.4Å; Y553-F569 WeakPolarHBondContact OH-CB 3.41Å; Y553-F569 PolarHBondContact OH-N 3.35Å; L560-F569 HydrophobicContact CB-CD1 4Å; L560-F569 HydrophobicContact CB-CE1 4.13Å; L560-F569 HydrophobicContact CD1-CD1 4.27Å; A565-F569 WeakPolarHBondContact O-CB 3.46Å; A565-F569 WeakPolarHBondContact O-CD1 3.28Å; A565-F569 PolarHBondContact O-N 2.87Å; E566-F569 VanDerWaalsContact CA-CE1 3.46Å; E566-F569 HydrophobicContact CB-CE1 4.07Å; E566-F569 HydrophobicContact CG-CE1 3.91Å; E566-F569 HydrophobicContact CG-CZ 4.12Å; F569-N572 PolarHBondContact O-N 3.16Å; F569-A573 WeakPolarHBondContact O-CB 3.49Å; F569-A573 PolarHBondContact O-N 3.21Å
570	A	96.6	Very high	96.1	Very high	9 Å²	9	52.5 Å²	52.5	7%	0.074	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-48	178.3	0	0	0	0	0	111.6	L370 E566 D568 A573 L574	L370-A570 HydrophobicContact CD2-CB 3.44Å; L370-A570 VanDerWaalsContact CD2-CB 3.44Å; E566-A570 WeakPolarHBondContact O-CB 3.39Å; E566-A570 PolarHBondContact O-N 2.94Å; E566-A570 VanDerWaalsContact O-N 3.15Å; D568-A570 VanDerWaalsContact C-N 3.31Å; D568-A570 PolarHBondContact O-N 2.76Å; A570-A573 PolarHBondContact O-N 2.9Å; A570-L574 WeakPolarHBondContact O-CB 3.28Å; A570-L574 PolarHBondContact O-N 3.15Å
571	L	97.4	Very high	96.1	Very high	109 Å²	109	53.1 Å²	53.1	57%	0.571	28%	0.28	S	S	*	.	H	α-helix	trans	-66.8	-41.3	178.9	-67.9	175	0	0	0	112.1	C567 D568 L574 A575	C567-L571 WeakPolarHBondContact O-CG 3.11Å; C567-L571 PolarHBondContact O-N 2.84Å; D568-L571 PolarHBondContact O-N 3.26Å; L571-L574 PolarHBondContact O-N 3.32Å; L571-A575 WeakPolarHBondContact O-CB 3.29Å; L571-A575 PolarHBondContact O-N 3.36Å
572	N	98.5	Very high	96.1	Very high	21 Å²	21	55.2 Å²	55.2	11%	0.112	29%	0.285	C	S	.	.	H	α-helix	trans	-69.1	-37.6	177.8	-79.6	-77.8	0	0	0	112.4	L519 R549 L551 D568 F569 A575 W576	L519-N572 HydrophobicContact CD2-CB 4.4Å; R549-N572 PolarHBondContact NH1-OD1 2.97Å; R549-N572 PolarHBondContact NH2-OD1 3.27Å; L551-N572 HydrophobicContact CD1-CB 3.56Å; L551-N572 VanDerWaalsContact CD1-CG 3.45Å; D568-N572 VanDerWaalsContact CG-ND2 3.25Å; D568-N572 WeakPolarHBondContact O-CB 3.24Å; D568-N572 PolarHBondContact O-N 3.38Å; D568-N572 PolarHBondContact O-ND2 3.04Å; D568-N572 PolarHBondContact OD1-ND2 3.24Å; D568-N572 PolarHBondContact OD2-ND2 3.27Å; F569-N572 PolarHBondContact O-N 3.16Å; N572-A575 PolarHBondContact O-N 3.11Å; N572-W576 VanDerWaalsContact O-CB 3.25Å; N572-W576 WeakPolarHBondContact O-CB 3.47Å; N572-W576 PolarHBondContact O-N 3.2Å
573	A	98.5	Very high	95.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-45.4	173.7	0	0	0	0	0	111.2	F374 F434 V458 L519 F569 A570 W576 I577	F374-A573 HydrophobicContact CZ-CB 4.35Å; F434-A573 HydrophobicContact CD2-CB 4.31Å; F434-A573 HydrophobicContact CE2-CB 3.65Å; V458-A573 HydrophobicContact CG1-CB 3.88Å; V458-A573 HydrophobicContact CG2-CB 4.08Å; L519-A573 HydrophobicContact CD2-CB 4.5Å; F569-A573 WeakPolarHBondContact O-CB 3.49Å; F569-A573 PolarHBondContact O-N 3.21Å; A570-A573 PolarHBondContact O-N 2.9Å; A573-W576 PolarHBondContact O-N 2.84Å; A573-I577 WeakPolarHBondContact O-CB 3.46Å; A573-I577 VanDerWaalsContact O-CG1 3.31Å; A573-I577 WeakPolarHBondContact O-CG1 3.48Å; A573-I577 PolarHBondContact O-N 2.94Å
574	L	97.8	Very high	94.8	Very high	34 Å²	34	49.8 Å²	49.8	18%	0.178	26%	0.259	C	S	.	.	H	α-helix	trans	-58.3	-51.5	174.4	174.7	65.6	0	0	0	112	F374 L377 F379 A570 L571 W576 I577 D578	F374-L574 HydrophobicContact CD1-CD1 3.93Å; F374-L574 HydrophobicContact CE1-CB 4.05Å; F374-L574 HydrophobicContact CE1-CD1 3.77Å; F374-L574 HydrophobicContact CZ-CB 4.3Å; L377-L574 HydrophobicContact CD1-CD1 3.58Å; L377-L574 HydrophobicContact CD1-CD2 3.33Å; L377-L574 HydrophobicContact CD1-CG 4.09Å; F379-L574 HydrophobicContact CD2-CD1 4.47Å; F379-L574 HydrophobicContact CE2-CD1 3.73Å; F379-L574 HydrophobicContact CZ-CD1 4.28Å; A570-L574 WeakPolarHBondContact O-CB 3.28Å; A570-L574 PolarHBondContact O-N 3.15Å; L571-L574 PolarHBondContact O-N 3.32Å; L574-W576 VanDerWaalsContact C-N 3.28Å; L574-W576 PolarHBondContact O-N 3.23Å; L574-I577 PolarHBondContact O-N 2.86Å; L574-D578 WeakPolarHBondContact O-CB 3.39Å; L574-D578 PolarHBondContact O-N 3.31Å; L574-D578 VanDerWaalsContact O-CB 3.27Å
575	A	97.8	Very high	93.3	Very high	56 Å²	56	47.2 Å²	47.2	46%	0.463	25%	0.248	S	C	.	.	H	α-helix	trans	-62	-36.2	179.7	0	0	0	0	0	112.4	L571 N572 R579	L571-A575 WeakPolarHBondContact O-CB 3.29Å; L571-A575 PolarHBondContact O-N 3.36Å; N572-A575 PolarHBondContact O-N 3.11Å; A575-R579 WeakPolarHBondContact O-CB 3.36Å; A575-R579 PolarHBondContact O-N 3.45Å; A575-R579 VanDerWaalsContact O-N 3.09Å
576	W	98.5	Very high	91.6	Very high	16 Å²	16	52.8 Å²	52.8	6%	0.061	27%	0.274	C	S	.	.	H	α-helix	trans	-65.9	-51.7	176.2	-173.7	-98.9	0	0	0	111.8	C457 P517 T518 L519 R549 N572 A573 L574 R579 W580	C457-W576 PolarHBondContact O-NE1 3.14Å; P517-W576 HydrophobicContact CB-CH2 4.47Å; P517-W576 HydrophobicContact CB-CZ2 3.64Å; P517-W576 PolarHBondContact O-NE1 3.06Å; T518-W576 VanDerWaalsContact C-CZ2 3.46Å; L519-W576 HydrophobicContact CB-CB 4.36Å; L519-W576 HydrophobicContact CB-CD2 3.76Å; L519-W576 HydrophobicContact CB-CE3 4.4Å; L519-W576 HydrophobicContact CB-CG 3.73Å; L519-W576 HydrophobicContact CD2-CB 3.91Å; L519-W576 HydrophobicContact CD2-CG 4.19Å; R549-W576 HydrophobicContact CB-CE3 4.11Å; R549-W576 HydrophobicContact CB-CH2 3.88Å; R549-W576 HydrophobicContact CB-CZ3 3.49Å; R549-W576 VanDerWaalsContact CB-CZ3 3.49Å; R549-W576 HydrophobicContact CG-CZ3 4.48Å; N572-W576 VanDerWaalsContact O-CB 3.25Å; N572-W576 WeakPolarHBondContact O-CB 3.47Å; N572-W576 PolarHBondContact O-N 3.2Å; A573-W576 PolarHBondContact O-N 2.84Å; L574-W576 VanDerWaalsContact C-N 3.28Å; L574-W576 PolarHBondContact O-N 3.23Å; W576-R579 PolarHBondContact O-N 2.89Å; W576-W580 AromaticContact CH2-NE1 3.34Å; W576-W580 VanDerWaalsContact CH2-NE1 3.34Å; W576-W580 AromaticContact CZ2-CD1 3.81Å; W576-W580 AromaticContact CZ2-NE1 3.2Å; W576-W580 AromaticContact CZ3-NE1 3.52Å; W576-W580 AromaticContact NE1-CD1 3.64Å; W576-W580 AromaticContact NE1-NE1 3.98Å; W576-W580 PolarHBondContact O-N 3.37Å; W576-W580 VanDerWaalsContact O-N 3.14Å; W576-W580 AromaticContact CD1-CD1 3.96Å; W576-W580 HydrophobicContact CH2-CZ2 4.3Å; W576-W580 AromaticContact CG-CD1 3.94Å; W576-W580 AromaticContact CE3-NE1 3.6Å; W576-W580 VanDerWaalsContact CE2-NE1 3.28Å; W576-W580 AromaticContact CE2-NE1 3.28Å; W576-W580 VanDerWaalsContact CE2-CD1 3.42Å; W576-W580 AromaticContact CE2-CD1 3.42Å; W576-W580 AromaticContact CD2-NE1 3.5Å; W576-W580 AromaticContact CD2-CD1 3.58Å
577	I	98.2	Very high	90.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-49.6	179.8	-72.5	173.3	0	0	0	110.2	I352 F374 F379 A432 F434 A456 V458 A573 L574 R579 W580 L581	I352-I577 HydrophobicContact CD1-CD1 4.11Å; I352-I577 HydrophobicContact CD1-CG2 4.26Å; I352-I577 HydrophobicContact CG1-CD1 4.5Å; I352-I577 HydrophobicContact CG1-CG2 4.36Å; F374-I577 HydrophobicContact CE1-CD1 3.95Å; F374-I577 HydrophobicContact CZ-CD1 4.09Å; F379-I577 HydrophobicContact CD1-CG2 4.12Å; F379-I577 HydrophobicContact CE1-CG2 3.79Å; F379-I577 HydrophobicContact CZ-CG2 4.47Å; A432-I577 HydrophobicContact CB-CD1 4.45Å; A432-I577 HydrophobicContact CB-CG1 4.15Å; A432-I577 HydrophobicContact CB-CG2 3.89Å; F434-I577 HydrophobicContact CD2-CD1 4.25Å; A456-I577 HydrophobicContact CB-CG1 4.4Å; V458-I577 HydrophobicContact CG2-CD1 3.85Å; V458-I577 HydrophobicContact CG2-CG1 3.81Å; A573-I577 WeakPolarHBondContact O-CB 3.46Å; A573-I577 VanDerWaalsContact O-CG1 3.31Å; A573-I577 WeakPolarHBondContact O-CG1 3.48Å; A573-I577 PolarHBondContact O-N 2.94Å; L574-I577 PolarHBondContact O-N 2.86Å; I577-R579 PolarHBondContact O-N 2.86Å; I577-W580 PolarHBondContact O-N 2.86Å; I577-L581 HydrophobicContact CG2-CD1 3.4Å; I577-L581 PolarHBondContact O-N 2.96Å; I577-L581 WeakPolarHBondContact O-CG 3.04Å; I577-L581 WeakPolarHBondContact O-CD1 3.47Å; I577-L581 VanDerWaalsContact O-CB 3.3Å; I577-L581 WeakPolarHBondContact O-CB 3.48Å; I577-L581 VanDerWaalsContact CG2-CD1 3.4Å; I577-L581 HydrophobicContact CG2-CG 4.27Å
578	D	96.6	Very high	88.7	Confident	55 Å²	55	53.3 Å²	53.3	29%	0.294	27%	0.269	S	S	.	.	H	α-helix	trans	-60.3	-44	-179.5	-175	65.8	0	0	0	112.4	F379 L574 K582	F379-D578 HydrophobicContact CZ-CB 4.12Å; L574-D578 WeakPolarHBondContact O-CB 3.39Å; L574-D578 PolarHBondContact O-N 3.31Å; L574-D578 VanDerWaalsContact O-CB 3.27Å; D578-K582 WeakPolarHBondContact O-CG 3.28Å; D578-K582 PolarHBondContact O-N 3.36Å; D578-K582 WeakPolarHBondContact OD1-CE 3.39Å; D578-K582 IonicContact OD1-NZ 2.83Å; D578-K582 PolarHBondContact OD1-NZ 2.9Å; D578-K582 IonicContact OD2-NZ 2.71Å; D578-K582 PolarHBondContact OD2-NZ 3.48Å
579	R	96.5	Very high	86.8	Confident	153 Å²	153	58.8 Å²	58.8	58%	0.577	29%	0.292	S	S	*	.	H	α-helix	trans	-57.6	-58.5	176.8	175.2	-179.1	174.8	172.4	-0.7	111	A575 W576 I577 L581 K582 T583	A575-R579 WeakPolarHBondContact O-CB 3.36Å; A575-R579 PolarHBondContact O-N 3.45Å; A575-R579 VanDerWaalsContact O-N 3.09Å; W576-R579 PolarHBondContact O-N 2.89Å; I577-R579 PolarHBondContact O-N 2.86Å; R579-L581 PolarHBondContact O-N 3.12Å; R579-L581 VanDerWaalsContact C-N 3.31Å; R579-K582 PolarHBondContact O-N 3.33Å; R579-K582 VanDerWaalsContact O-N 3.13Å; R579-T583 PolarHBondContact O-N 2.65Å; R579-T583 VanDerWaalsContact O-N 3.09Å; R579-T583 PolarHBondContact O-OG1 3Å
580	W	96.8	Very high	84.7	Confident	18 Å²	18	68.3 Å²	68.3	7%	0.068	34%	0.337	C	S	.	.	H	α-helix	trans	-76	-19.2	-169.5	-70.8	114.7	0	0	0	114	R455 A456 P517 P547 W576 I577 T583 Q588	R455-W580 WeakPolarHBondContact O-CB 3.44Å; A456-W580 HydrophobicContact CB-CB 3.87Å; P517-W580 HydrophobicContact CB-CD2 3.52Å; P517-W580 HydrophobicContact CB-CE3 4.08Å; P517-W580 HydrophobicContact CB-CG 3.78Å; P517-W580 HydrophobicContact CB-CH2 4.33Å; P517-W580 HydrophobicContact CB-CZ2 3.83Å; P517-W580 HydrophobicContact CB-CZ3 4.44Å; P517-W580 HydrophobicContact CG-CD2 3.45Å; P517-W580 VanDerWaalsContact CG-CD2 3.45Å; P517-W580 HydrophobicContact CG-CE3 3.46Å; P517-W580 VanDerWaalsContact CG-CE3 3.46Å; P517-W580 HydrophobicContact CG-CG 4.02Å; P517-W580 HydrophobicContact CG-CH2 3.95Å; P517-W580 HydrophobicContact CG-CZ2 3.97Å; P517-W580 HydrophobicContact CG-CZ3 3.7Å; P547-W580 HydrophobicContact CB-CH2 3.59Å; P547-W580 HydrophobicContact CB-CZ2 3.41Å; P547-W580 VanDerWaalsContact CB-CZ2 3.41Å; P547-W580 HydrophobicContact CG-CH2 3.46Å; P547-W580 VanDerWaalsContact CG-CH2 3.46Å; P547-W580 HydrophobicContact CG-CZ2 3.86Å; P547-W580 HydrophobicContact CG-CZ3 4.3Å; W576-W580 AromaticContact CH2-NE1 3.34Å; W576-W580 VanDerWaalsContact CH2-NE1 3.34Å; W576-W580 AromaticContact CZ2-CD1 3.81Å; W576-W580 AromaticContact CZ2-NE1 3.2Å; W576-W580 AromaticContact CZ3-NE1 3.52Å; W576-W580 AromaticContact NE1-CD1 3.64Å; W576-W580 AromaticContact NE1-NE1 3.98Å; W576-W580 PolarHBondContact O-N 3.37Å; W576-W580 VanDerWaalsContact O-N 3.14Å; W576-W580 AromaticContact CD1-CD1 3.96Å; W576-W580 HydrophobicContact CH2-CZ2 4.3Å; W576-W580 AromaticContact CG-CD1 3.94Å; W576-W580 AromaticContact CE3-NE1 3.6Å; W576-W580 VanDerWaalsContact CE2-NE1 3.28Å; W576-W580 AromaticContact CE2-NE1 3.28Å; W576-W580 VanDerWaalsContact CE2-CD1 3.42Å; W576-W580 AromaticContact CE2-CD1 3.42Å; W576-W580 AromaticContact CD2-NE1 3.5Å; W576-W580 AromaticContact CD2-CD1 3.58Å; I577-W580 PolarHBondContact O-N 2.86Å; W580-T583 HydrophobicContact CE3-CG2 4.45Å; W580-T583 HydrophobicContact CZ3-CG2 4.47Å; W580-Q588 HydrophobicContact CZ3-CG 4.02Å; W580-Q588 HydrophobicContact CE3-CG 4.2Å
581	L	95.8	Very high	84.1	Confident	12 Å²	12	71.3 Å²	71.3	6%	0.063	35%	0.35	C	S	.	.	H	α-helix	trans	-79	-18.9	170	-68.6	173.6	0	0	0	113.5	P350 F379 R430 A432 R455 I577 R579	P350-L581 HydrophobicContact CB-CD1 3.64Å; P350-L581 HydrophobicContact CG-CD1 4.24Å; F379-L581 HydrophobicContact CD1-CD1 4.08Å; F379-L581 HydrophobicContact CE1-CD1 3.74Å; R430-L581 HydrophobicContact CB-CD2 3.85Å; R430-L581 VanDerWaalsContact CD-O 3.28Å; R430-L581 WeakPolarHBondContact CD-O 3.12Å; R430-L581 HydrophobicContact CG-CD2 4.48Å; R430-L581 WeakPolarHBondContact CG-O 3.47Å; A432-L581 HydrophobicContact CB-CD1 4.12Å; A432-L581 HydrophobicContact CB-CD2 4.27Å; A432-L581 HydrophobicContact CB-CG 4.4Å; R455-L581 HydrophobicContact CB-CD2 3.78Å; R455-L581 HydrophobicContact CG-CD2 4.35Å; I577-L581 HydrophobicContact CG2-CD1 3.4Å; I577-L581 PolarHBondContact O-N 2.96Å; I577-L581 WeakPolarHBondContact O-CG 3.04Å; I577-L581 WeakPolarHBondContact O-CD1 3.47Å; I577-L581 VanDerWaalsContact O-CB 3.3Å; I577-L581 WeakPolarHBondContact O-CB 3.48Å; I577-L581 VanDerWaalsContact CG2-CD1 3.4Å; I577-L581 HydrophobicContact CG2-CG 4.27Å; R579-L581 PolarHBondContact O-N 3.12Å; R579-L581 VanDerWaalsContact C-N 3.31Å
582	K	90.4	Very high	83.4	Confident	144 Å²	144	69.3 Å²	69.3	63%	0.626	34%	0.339	S	S	*	.	H	α-helix	trans	-92.4	-25.5	174.2	-71.6	171.8	179.8	165.8	0	112.9	D578 R579 T584	D578-K582 WeakPolarHBondContact O-CG 3.28Å; D578-K582 PolarHBondContact O-N 3.36Å; D578-K582 WeakPolarHBondContact OD1-CE 3.39Å; D578-K582 IonicContact OD1-NZ 2.83Å; D578-K582 PolarHBondContact OD1-NZ 2.9Å; D578-K582 IonicContact OD2-NZ 2.71Å; D578-K582 PolarHBondContact OD2-NZ 3.48Å; R579-K582 PolarHBondContact O-N 3.33Å; R579-K582 VanDerWaalsContact O-N 3.13Å; K582-T584 PolarHBondContact O-N 2.86Å
583	T	83.1	Confident	82.6	Confident	26 Å²	26	72 Å²	72	16%	0.16	35%	0.351	C	S	.	.	S	Bend	trans	-67.5	125	177.6	-51.5	0	0	0	0	111	R579 W580 Q587 Q588	R579-T583 PolarHBondContact O-N 2.65Å; R579-T583 VanDerWaalsContact O-N 3.09Å; R579-T583 PolarHBondContact O-OG1 3Å; W580-T583 HydrophobicContact CE3-CG2 4.45Å; W580-T583 HydrophobicContact CZ3-CG2 4.47Å; T583-Q587 HydrophobicContact CG2-CB 3.46Å; T583-Q587 VanDerWaalsContact CG2-CB 3.46Å; T583-Q588 HydrophobicContact CG2-CG 3.64Å
584	T	73.3	Confident	81.7	Confident	56 Å²	56	76.2 Å²	76.2	34%	0.344	37%	0.372	S	S	.	.			trans	-72	158.3	175.7	77.8	0	0	0	0	111.2	K582 E586 Q587 Q588	K582-T584 PolarHBondContact O-N 2.86Å; T584-E586 WeakPolarHBondContact CB-OE2 3.45Å; T584-E586 PolarHBondContact O-N 3.04Å; T584-E586 PolarHBondContact OG1-OE2 2.73Å; T584-Q587 WeakPolarHBondContact OG1-CG 3.35Å; T584-Q587 PolarHBondContact OG1-N 2.64Å; T584-Q587 PolarHBondContact O-N 3.37Å; T584-Q587 WeakPolarHBondContact O-CB 3.19Å; T584-Q587 VanDerWaalsContact N-OE1 3.1Å; T584-Q588 WeakPolarHBondContact O-CG 3.35Å; T584-Q588 PolarHBondContact O-N 2.95Å; T584-Q588 VanDerWaalsContact O-N 3.11Å
585	P	63.7	Low	80.7	Confident	52 Å²	52	78.9 Å²	78.9	34%	0.338	38%	0.384	S	S	.	.	H	α-helix	trans	-54.3	-35.8	176.7	-21.9	31.6	0	0	0	113.2	Q588 Q589	P585-Q588 PolarHBondContact O-N 2.65Å; P585-Q589 PolarHBondContact O-N 3.39Å
586	E	60.3	Low	79.5	Confident	119 Å²	119	80.4 Å²	80.4	56%	0.556	38%	0.379	S	S	*	.	H	α-helix	trans	-67.3	-38.3	178.8	-55.5	74.4	-155	0	0	111.3	T584 Q588 Q589 Q590	T584-E586 WeakPolarHBondContact CB-OE2 3.45Å; T584-E586 PolarHBondContact O-N 3.04Å; T584-E586 PolarHBondContact OG1-OE2 2.73Å; E586-Q588 VanDerWaalsContact C-N 3.27Å; E586-Q588 PolarHBondContact O-N 2.89Å; E586-Q589 PolarHBondContact O-N 2.91Å; E586-Q590 PolarHBondContact O-N 3.27Å
587	Q	67.9	Low	78.2	Confident	107 Å²	107	85 Å²	85	50%	0.5	40%	0.401	S	S	.	.	H	α-helix	trans	-73.3	-16.1	174.6	-68.3	173.5	-16.9	0	0	113.3	T583 T584	T583-Q587 HydrophobicContact CG2-CB 3.46Å; T583-Q587 VanDerWaalsContact CG2-CB 3.46Å; T584-Q587 WeakPolarHBondContact OG1-CG 3.35Å; T584-Q587 PolarHBondContact OG1-N 2.64Å; T584-Q587 PolarHBondContact O-N 3.37Å; T584-Q587 WeakPolarHBondContact O-CB 3.19Å; T584-Q587 VanDerWaalsContact N-OE1 3.1Å
588	Q	60.5	Low	76.6	Confident	55 Å²	55	91.5 Å²	91.5	26%	0.257	43%	0.432	S	S	.	.	H	α-helix	trans	-84.1	-23.3	174.9	-66.9	-175.8	-22	0	0	112.7	R455 W580 T583 T584 P585 E586	R455-Q588 VanDerWaalsContact NH1-OE1 3.09Å; W580-Q588 HydrophobicContact CZ3-CG 4.02Å; W580-Q588 HydrophobicContact CE3-CG 4.2Å; T583-Q588 HydrophobicContact CG2-CG 3.64Å; T584-Q588 WeakPolarHBondContact O-CG 3.35Å; T584-Q588 PolarHBondContact O-N 2.95Å; T584-Q588 VanDerWaalsContact O-N 3.11Å; P585-Q588 PolarHBondContact O-N 2.65Å; E586-Q588 VanDerWaalsContact C-N 3.27Å; E586-Q588 PolarHBondContact O-N 2.89Å
589	Q	58.5	Low	75	Confident	179 Å²	179	94.6 Å²	94.6	84%	0.836	44%	0.444	S	S	*	.	H	α-helix	trans	-87.5	-26.1	178.9	-72.5	-178.2	-1	0	0	113.5	P585 E586	P585-Q589 PolarHBondContact O-N 3.39Å; E586-Q589 PolarHBondContact O-N 2.91Å
590	Q	52.8	Low	73	Confident	214 Å²	214	89.3 Å²	89.3	100%	1	43%	0.432	S	S	*	.			trans	-76	0	169.2	-67.5	178.9	1.8	0	0	110.3	E586	E586-Q590 PolarHBondContact O-N 3.27Å

Retrieved 590 of 590 residues in 209.2 ms (Link to these results)

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