A0A087X7C2_POEFO Loading...

Tyrosine-protein kinase

AlphaFold DB , UniProt , Accession A0A087X7C2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 617 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	50.8	Low	82.6	Confident	224 Å²	224	96.6 Å²	96.6	100%	1.103	47%	0.471	S	S	*	.				0	130.2	0	-157.9	175.3	-144.6	0	0	107.5	Q36	M1-Q36 PolarHBondContact O-NE2 3.09Å
2	F	61.2	Low	83.6	Confident	193 Å²	193	90 Å²	90	85%	0.846	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-68	142.3	179.2	-69.3	-81.6	0	0	0	110.5	R4	F2-R4 PolarHBondContact O-N 3.47Å
3	P	72.6	Confident	84.3	Confident	61 Å²	61	85.4 Å²	85.4	40%	0.396	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-63	120.3	179.7	23.5	-31	0	0	0	110.2	D34 Q36	P3-D34 HydrophobicContact CB-CB 4.39Å; P3-Q36 HydrophobicContact CB-CG 4.29Å
4	R	85.9	Confident	84.7	Confident	193 Å²	193	80.4 Å²	80.4	73%	0.728	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-97.5	128.4	177.3	178.3	-178.2	174.3	-177.1	-0.9	109	F2 I6 D34 T35	F2-R4 PolarHBondContact O-N 3.47Å; R4-I6 PolarHBondContact O-N 3.11Å; R4-D34 CarbonylContact O-C 3.59Å; R4-D34 WeakPolarHBondContact O-CA 3.19Å; R4-D34 VanDerWaalsContact O-CB 3.31Å; R4-D34 WeakPolarHBondContact O-CB 3.47Å; R4-T35 HydrophobicContact CB-CG2 4.01Å; R4-T35 PolarHBondContact N-OG1 3.05Å; R4-T35 PolarHBondContact O-N 3.23Å
5	V	89.9	Confident	84.2	Confident	81 Å²	81	77.4 Å²	77.4	49%	0.491	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	127.3	174.4	178.6	0	0	0	0	109.8	V32 D34	V5-V32 HydrophobicContact CG1-CG1 3.98Å; V5-V32 HydrophobicContact CG2-CG1 4.16Å; V5-D34 HydrophobicContact CG2-CB 4.47Å
6	I	88.9	Confident	83.1	Confident	60 Å²	60	77.5 Å²	77.5	31%	0.308	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-53.6	179.8	-54.5	171.5	0	0	0	109.6	R4 L33 T35 A105 E109	R4-I6 PolarHBondContact O-N 3.11Å; I6-L33 HydrophobicContact CB-CD2 4.39Å; I6-L33 HydrophobicContact CB-CG 4.23Å; I6-L33 HydrophobicContact CD1-CG 4.31Å; I6-L33 HydrophobicContact CG2-CD2 4.46Å; I6-L33 PolarHBondContact N-O 3.02Å; I6-T35 HydrophobicContact CD1-CG2 3.96Å; I6-T35 HydrophobicContact CG1-CG2 4.14Å; I6-A105 HydrophobicContact CG2-CB 4.36Å; I6-E109 HydrophobicContact CD1-CG 3.51Å; I6-E109 WeakPolarHBondContact CD1-OE1 3.34Å
7	L	91	Very high	82	Confident	31 Å²	31	78.1 Å²	78.1	16%	0.162	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.7	178.8	-68	177.2	0	0	0	111.5	V32 L33 R101 W102 A105	L7-V32 WeakPolarHBondContact O-CA 3.3Å; L7-L33 HydrophobicContact CB-CB 4.22Å; L7-L33 HydrophobicContact CD1-CD2 4.48Å; L7-L33 PolarHBondContact N-O 3.16Å; L7-L33 VanDerWaalsContact N-O 3.13Å; L7-L33 PolarHBondContact O-N 3Å; L7-R101 HydrophobicContact CD1-CG 4.41Å; L7-R101 HydrophobicContact CD2-CG 4.32Å; L7-W102 HydrophobicContact CB-CD2 4.38Å; L7-W102 HydrophobicContact CB-CH2 3.99Å; L7-W102 HydrophobicContact CB-CZ2 3.84Å; L7-W102 HydrophobicContact CB-CZ3 4.33Å; L7-W102 HydrophobicContact CD1-CD2 3.89Å; L7-W102 HydrophobicContact CD1-CE3 4.3Å; L7-W102 HydrophobicContact CD1-CG 3.98Å; L7-A105 HydrophobicContact CD1-CB 3.49Å; L7-A105 VanDerWaalsContact CD1-CB 3.49Å; L7-A105 HydrophobicContact CG-CB 4.23Å
8	K	92.9	Very high	80.6	Confident	153 Å²	153	85.5 Å²	85.5	67%	0.665	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.3	144.2	169.4	64.8	-175.5	178.4	179.8	0	109.4	F30 F31 V32	K8-F30 HydrophobicContact CB-CE1 4.14Å; K8-F30 HydrophobicContact CB-CZ 3.76Å; K8-F30 HydrophobicContact CD-CZ 4.21Å; K8-F30 HydrophobicContact CG-CZ 4.14Å; K8-F31 CarbonylContact C-O 3.56Å; K8-F31 VanDerWaalsContact CA-O 3.24Å; K8-F31 WeakPolarHBondContact CA-O 3.33Å; K8-V32 HydrophobicContact CB-CG2 4.29Å
9	G	89.1	Confident	79.4	Confident	17 Å²	17	88.8 Å²	88.8	18%	0.175	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.7	156	-176.9	0	0	0	0	0	113.4	F31	G9-F31 PolarHBondContact N-O 3.5Å; G9-F31 PolarHBondContact O-N 2.93Å
10	T	91.2	Very high	78.2	Confident	50 Å²	50	95.1 Å²	95.1	31%	0.307	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	125.1	174.3	-59	0	0	0	0	109.2	E28 R29	T10-E28 HydrophobicContact CG2-CG 3.24Å; T10-R29 WeakPolarHBondContact CA-O 3.4Å
11	M	95.5	Very high	77.1	Confident	0 Å²	0	96.8 Å²	96.8	0%	0	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	160.9	179.9	-68.2	-176.8	-72.1	0	0	110.4	R29 F31 F80 I91 F92 A93 W102	M11-R29 PolarHBondContact N-O 2.72Å; M11-R29 PolarHBondContact O-N 3.34Å; M11-R29 VanDerWaalsContact O-O 3.1Å; M11-F31 HydrophobicContact CB-CD2 3.77Å; M11-F31 HydrophobicContact CB-CE2 3.83Å; M11-F31 HydrophobicContact CE-CB 3.6Å; M11-F31 HydrophobicContact CE-CD1 4.27Å; M11-F31 HydrophobicContact CE-CD2 3.7Å; M11-F31 HydrophobicContact CE-CE2 4.4Å; M11-F31 HydrophobicContact CE-CG 3.61Å; M11-F80 HydrophobicContact CE-CZ 4.38Å; M11-F80 HydrophobicContact SD-CE1 3.94Å; M11-F80 HydrophobicContact SD-CZ 4.09Å; M11-I91 HydrophobicContact CB-CG2 3.74Å; M11-I91 HydrophobicContact CE-CG2 3.96Å; M11-I91 HydrophobicContact CG-CG2 4.35Å; M11-I91 HydrophobicContact SD-CG2 3.72Å; M11-F92 WeakPolarHBondContact CB-O 3.48Å; M11-A93 HydrophobicContact SD-CB 4.33Å; M11-W102 HydrophobicContact CE-CD2 3.5Å; M11-W102 HydrophobicContact CE-CE3 3.74Å; M11-W102 HydrophobicContact CE-CG 4.13Å; M11-W102 HydrophobicContact CE-CH2 3.75Å; M11-W102 HydrophobicContact CE-CZ2 3.5Å; M11-W102 VanDerWaalsContact CE-CZ2 3.5Å; M11-W102 HydrophobicContact CE-CZ3 3.85Å; M11-W102 HydrophobicContact SD-CD2 4.13Å; M11-W102 HydrophobicContact SD-CG 4.13Å
12	I	93.8	Very high	77.4	Confident	17 Å²	17	88.1 Å²	88.1	9%	0.087	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.9	178	-65.7	177	0	0	0	109.3	Y26 C74 Y76 I91 F92	I12-Y26 HydrophobicContact CG2-CD1 4.04Å; I12-Y26 HydrophobicContact CG2-CG 4.41Å; I12-C74 HydrophobicContact CD1-CB 3.88Å; I12-C74 HydrophobicContact CG2-CB 4.16Å; I12-Y76 HydrophobicContact CB-CD2 4.24Å; I12-Y76 HydrophobicContact CD1-CD1 4.33Å; I12-Y76 HydrophobicContact CD1-CD2 4.02Å; I12-Y76 HydrophobicContact CD1-CG 3.85Å; I12-Y76 HydrophobicContact CG1-CD2 3.72Å; I12-Y76 HydrophobicContact CG1-CE2 4.21Å; I12-Y76 HydrophobicContact CG1-CG 4.07Å; I12-I91 CarbonylContact O-C 3.59Å; I12-I91 WeakPolarHBondContact O-CA 3.28Å; I12-F92 HydrophobicContact CB-CB 4.11Å; I12-F92 PolarHBondContact N-O 3.48Å; I12-F92 WeakPolarHBondContact O-CD2 3.47Å; I12-F92 PolarHBondContact O-N 3.07Å
13	K	93.7	Very high	77.2	Confident	30 Å²	30	84.5 Å²	84.5	13%	0.13	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.4	173.8	179.6	-179.6	-179.3	-47.7	0	110	K27 R29 F31 Y40 L89	K13-K27 PolarHBondContact N-O 3.07Å; K13-K27 PolarHBondContact O-N 3.18Å; K13-R29 HydrophobicContact CB-CG 4.05Å; K13-R29 HydrophobicContact CD-CG 4.45Å; K13-F31 HydrophobicContact CB-CE2 4.47Å; K13-F31 HydrophobicContact CB-CZ 4.08Å; K13-Y40 HydrophobicContact CD-CD2 3.99Å; K13-Y40 HydrophobicContact CD-CE1 4.46Å; K13-Y40 HydrophobicContact CD-CE2 3.67Å; K13-Y40 WeakPolarHBondContact CE-OH 3.25Å; K13-L89 HydrophobicContact CD-CD1 3.86Å; K13-L89 HydrophobicContact CG-CD1 3.68Å
14	K	89.6	Confident	77	Confident	15 Å²	15	83.6 Å²	83.6	7%	0.065	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	132.1	166.4	-172.6	-177.6	178.5	-165.6	0	110	Y26 Y90 F92	K14-Y26 HydrophobicContact CB-CD1 4.26Å; K14-Y26 HydrophobicContact CB-CE1 4.07Å; K14-Y26 HydrophobicContact CD-CE1 4.19Å; K14-Y26 HydrophobicContact CG-CD1 4.45Å; K14-Y26 HydrophobicContact CG-CE1 3.97Å; K14-Y90 HydrophobicContact CD-CD2 4.05Å; K14-Y90 PolarHBondContact N-O 2.76Å; K14-F92 HydrophobicContact CB-CE2 3.79Å
15	S	76.6	Confident	76.6	Confident	36 Å²	36	78 Å²	78	25%	0.252	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-73.4	143.8	173.7	70.4	0	0	0	0	110.6	Q17 N25	S15-Q17 PolarHBondContact O-N 3.5Å; S15-N25 WeakPolarHBondContact CB-O 3.48Å; S15-N25 PolarHBondContact N-O 3.36Å; S15-N25 WeakPolarHBondContact OG-CB 3.15Å; S15-N25 PolarHBondContact OG-N 2.96Å; S15-N25 PolarHBondContact OG-O 2.97Å
16	Q	67.7	Low	76.6	Confident	79 Å²	79	76.6 Å²	76.6	37%	0.369	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-73.4	124	166.3	-65.5	-175.4	-0.4	0	0	108.9	K18 Y88	Q16-K18 PolarHBondContact O-N 3.15Å; Q16-Y88 PolarHBondContact NE2-O 2.98Å
17	Q	64.4	Low	76.6	Confident	88 Å²	88	78 Å²	78	41%	0.411	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-66.4	123.5	173.7	-69.5	175.3	-16.5	0	0	108.8	S15 S22 S24	S15-Q17 PolarHBondContact O-N 3.5Å; Q17-S22 WeakPolarHBondContact CG-O 3.46Å; Q17-S22 PolarHBondContact NE2-O 3.31Å; Q17-S24 PolarHBondContact NE2-OG 3.46Å
18	K	56	Low	76.7	Confident	211 Å²	211	82.3 Å²	82.3	92%	0.917	41%	0.407	S	S	*	.	S	Bend	trans	-80.4	-21	175.7	-68	-171.9	176.3	-172.8	0	112.9	Q16	Q16-K18 PolarHBondContact O-N 3.15Å
19	K	58.2	Low	76.7	Confident	149 Å²	149	76.2 Å²	76.2	65%	0.648	38%	0.38	S	S	*	.	S	Bend	trans	-135	146.9	176.8	-61.3	-178.3	178	-177.1	0	109.3	T21 S22	K19-T21 PolarHBondContact O-N 3.24Å; K19-T21 VanDerWaalsContact O-N 3.11Å; K19-S22 PolarHBondContact O-N 3.4Å; K19-S22 VanDerWaalsContact O-N 3.08Å
20	R	55.9	Low	76.9	Confident	214 Å²	214	76.6 Å²	76.6	81%	0.808	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.6	-178.3	-167.9	176.9	-179.4	-175.7	1.3	113.6
21	T	55.3	Low	77.1	Confident	130 Å²	130	74.2 Å²	74.2	80%	0.798	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-3.5	-177.9	54.6	0	0	0	0	114.3	K19	K19-T21 PolarHBondContact O-N 3.24Å; K19-T21 VanDerWaalsContact O-N 3.11Å
22	S	55.7	Low	77.1	Confident	43 Å²	43	75.7 Å²	75.7	30%	0.301	37%	0.371	S	S	.	.	S	Bend	trans	-79.4	133.4	-178.7	-63.3	0	0	0	0	111.2	Q17 K19	Q17-S22 WeakPolarHBondContact CG-O 3.46Å; Q17-S22 PolarHBondContact NE2-O 3.31Å; K19-S22 PolarHBondContact O-N 3.4Å; K19-S22 VanDerWaalsContact O-N 3.08Å
23	P	57.1	Low	77.2	Confident	116 Å²	116	74.9 Å²	74.9	75%	0.753	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-60.9	144.5	178.5	21.9	-30.4	0	0	0	111.6	N25	P23-N25 PolarHBondContact O-N 3.46Å
24	S	67.9	Low	77.1	Confident	43 Å²	43	73.7 Å²	73.7	30%	0.301	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-63.8	119.1	172.4	-72.6	0	0	0	0	109.4	Q17	Q17-S24 PolarHBondContact NE2-OG 3.46Å
25	N	79.2	Confident	77.1	Confident	74 Å²	74	75.5 Å²	75.5	40%	0.396	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-100.7	131	177.9	-165.3	-25.7	0	0	0	110	S15 P23 K27	S15-N25 WeakPolarHBondContact CB-O 3.48Å; S15-N25 PolarHBondContact N-O 3.36Å; S15-N25 WeakPolarHBondContact OG-CB 3.15Å; S15-N25 PolarHBondContact OG-N 2.96Å; S15-N25 PolarHBondContact OG-O 2.97Å; P23-N25 PolarHBondContact O-N 3.46Å; N25-K27 VanDerWaalsContact CG-CE 3.5Å; N25-K27 WeakPolarHBondContact ND2-CE 3.49Å; N25-K27 WeakPolarHBondContact OD1-CE 3.17Å; N25-K27 WeakPolarHBondContact OD1-CG 3.49Å
26	Y	88.5	Confident	77.9	Confident	53 Å²	53	78.4 Å²	78.4	21%	0.208	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.2	-179.4	-67.6	-98.5	0	0	0	107.8	I12 K14 P73 C74 F92	I12-Y26 HydrophobicContact CG2-CD1 4.04Å; I12-Y26 HydrophobicContact CG2-CG 4.41Å; K14-Y26 HydrophobicContact CB-CD1 4.26Å; K14-Y26 HydrophobicContact CB-CE1 4.07Å; K14-Y26 HydrophobicContact CD-CE1 4.19Å; K14-Y26 HydrophobicContact CG-CD1 4.45Å; K14-Y26 HydrophobicContact CG-CE1 3.97Å; Y26-P73 HydrophobicContact CD2-CG 4.18Å; Y26-P73 HydrophobicContact CE1-CG 4.22Å; Y26-P73 HydrophobicContact CE2-CG 3.38Å; Y26-P73 VanDerWaalsContact CZ-CG 3.4Å; Y26-P73 WeakPolarHBondContact OH-CG 3.39Å; Y26-C74 HydrophobicContact CD1-CB 3.82Å; Y26-C74 HydrophobicContact CG-CB 4Å; Y26-F92 HydrophobicContact CD1-CD2 4.48Å; Y26-F92 HydrophobicContact CD1-CE2 4.22Å; Y26-F92 HydrophobicContact CD1-CZ 4.45Å; Y26-F92 HydrophobicContact CE1-CD2 4.47Å; Y26-F92 HydrophobicContact CE1-CE1 4.24Å; Y26-F92 AromaticContact CE1-CE2 3.84Å; Y26-F92 HydrophobicContact CE1-CE2 3.84Å; Y26-F92 AromaticContact CE1-CZ 3.69Å; Y26-F92 HydrophobicContact CE1-CZ 3.69Å
27	K	89.5	Confident	79.2	Confident	90 Å²	90	77 Å²	77	39%	0.391	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.2	-174.9	-60	-166.8	177.9	-170.6	0	110.7	K13 N25	K13-K27 PolarHBondContact N-O 3.07Å; K13-K27 PolarHBondContact O-N 3.18Å; N25-K27 VanDerWaalsContact CG-CE 3.5Å; N25-K27 WeakPolarHBondContact ND2-CE 3.49Å; N25-K27 WeakPolarHBondContact OD1-CE 3.17Å; N25-K27 WeakPolarHBondContact OD1-CG 3.49Å
28	E	92.2	Very high	80.8	Confident	120 Å²	120	72.8 Å²	72.8	56%	0.561	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	134.5	170.2	-170.5	178.6	87.5	0	0	110.6	T10	T10-E28 HydrophobicContact CG2-CG 3.24Å
29	R	94.1	Very high	82.7	Confident	25 Å²	25	65.4 Å²	65.4	9%	0.094	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	145.4	179.2	-64.7	-66.3	177.4	-110.6	17.8	109.5	T10 M11 K13 F31 Y40 S41 E42	T10-R29 WeakPolarHBondContact CA-O 3.4Å; M11-R29 PolarHBondContact N-O 2.72Å; M11-R29 PolarHBondContact O-N 3.34Å; M11-R29 VanDerWaalsContact O-O 3.1Å; K13-R29 HydrophobicContact CB-CG 4.05Å; K13-R29 HydrophobicContact CD-CG 4.45Å; R29-F31 HydrophobicContact CB-CD2 4.06Å; R29-F31 HydrophobicContact CB-CE2 3.66Å; R29-F31 HydrophobicContact CB-CZ 4.31Å; R29-F31 WeakPolarHBondContact O-CD2 3.34Å; R29-Y40 HydrophobicContact CG-CD2 4.21Å; R29-S41 WeakPolarHBondContact CA-O 3.47Å; R29-S41 WeakPolarHBondContact CD-O 3.4Å; R29-E42 IonicContact CZ-OE2 2.98Å; R29-E42 IonicContact NH1-OE2 3.66Å; R29-E42 IonicContact NH2-OE2 3.93Å; R29-E42 PolarHBondContact NH2-OE2 2.9Å
30	F	93	Very high	84.5	Confident	25 Å²	25	59.9 Å²	59.9	11%	0.11	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	110.1	169.1	-171.5	-98.4	0	0	0	108.9	K8 V32 Y40 S41 R43	K8-F30 HydrophobicContact CB-CE1 4.14Å; K8-F30 HydrophobicContact CB-CZ 3.76Å; K8-F30 HydrophobicContact CD-CZ 4.21Å; K8-F30 HydrophobicContact CG-CZ 4.14Å; F30-V32 HydrophobicContact CD1-CG2 3.82Å; F30-V32 HydrophobicContact CE1-CG2 3.49Å; F30-V32 VanDerWaalsContact CE1-CG2 3.49Å; F30-Y40 WeakPolarHBondContact O-CA 3.05Å; F30-S41 PolarHBondContact N-O 3.45Å; F30-S41 PolarHBondContact O-N 3.47Å; F30-S41 PolarHBondContact O-OG 3.02Å; F30-R43 HydrophobicContact CB-CG 4.03Å; F30-R43 VanDerWaalsContact CD1-NH2 3.32Å
31	F	96.1	Very high	86.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	143.3	178.6	-72.9	-99.9	0	0	0	110.8	K8 G9 M11 K13 R29 L38 K39 Y40 I91 W102	K8-F31 CarbonylContact C-O 3.56Å; K8-F31 VanDerWaalsContact CA-O 3.24Å; K8-F31 WeakPolarHBondContact CA-O 3.33Å; G9-F31 PolarHBondContact N-O 3.5Å; G9-F31 PolarHBondContact O-N 2.93Å; M11-F31 HydrophobicContact CB-CD2 3.77Å; M11-F31 HydrophobicContact CB-CE2 3.83Å; M11-F31 HydrophobicContact CE-CB 3.6Å; M11-F31 HydrophobicContact CE-CD1 4.27Å; M11-F31 HydrophobicContact CE-CD2 3.7Å; M11-F31 HydrophobicContact CE-CE2 4.4Å; M11-F31 HydrophobicContact CE-CG 3.61Å; K13-F31 HydrophobicContact CB-CE2 4.47Å; K13-F31 HydrophobicContact CB-CZ 4.08Å; R29-F31 HydrophobicContact CB-CD2 4.06Å; R29-F31 HydrophobicContact CB-CE2 3.66Å; R29-F31 HydrophobicContact CB-CZ 4.31Å; R29-F31 WeakPolarHBondContact O-CD2 3.34Å; F31-L38 HydrophobicContact CD1-CD1 4.1Å; F31-L38 HydrophobicContact CD1-CG 4.47Å; F31-K39 CarbonylContact C-O 3.5Å; F31-K39 VanDerWaalsContact CA-O 3.27Å; F31-K39 WeakPolarHBondContact CA-O 3.32Å; F31-Y40 HydrophobicContact CD1-CD1 4.25Å; F31-Y40 HydrophobicContact CD1-CG 4.3Å; F31-Y40 AromaticContact CE1-CD1 3.75Å; F31-Y40 HydrophobicContact CE1-CD1 3.75Å; F31-Y40 AromaticContact CE1-CG 3.89Å; F31-Y40 HydrophobicContact CE1-CG 3.89Å; F31-Y40 HydrophobicContact CZ-CD1 4.46Å; F31-Y40 HydrophobicContact CZ-CG 4.27Å; F31-I91 HydrophobicContact CD1-CD1 4.22Å; F31-I91 HydrophobicContact CE1-CD1 3.57Å; F31-I91 HydrophobicContact CE1-CG1 4.1Å; F31-I91 HydrophobicContact CE1-CG2 4.5Å; F31-I91 HydrophobicContact CE2-CG2 4.09Å; F31-I91 HydrophobicContact CZ-CD1 3.97Å; F31-I91 HydrophobicContact CZ-CG1 3.98Å; F31-I91 HydrophobicContact CZ-CG2 3.98Å; F31-W102 HydrophobicContact CB-CH2 3.52Å; F31-W102 HydrophobicContact CB-CZ2 4.15Å; F31-W102 HydrophobicContact CB-CZ3 4.06Å
32	V	94.8	Very high	88	Confident	31 Å²	31	45.8 Å²	45.8	19%	0.188	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	119.9	172.3	-177.7	0	0	0	0	107.3	V5 L7 K8 F30 K39	V5-V32 HydrophobicContact CG1-CG1 3.98Å; V5-V32 HydrophobicContact CG2-CG1 4.16Å; L7-V32 WeakPolarHBondContact O-CA 3.3Å; K8-V32 HydrophobicContact CB-CG2 4.29Å; F30-V32 HydrophobicContact CD1-CG2 3.82Å; F30-V32 HydrophobicContact CE1-CG2 3.49Å; F30-V32 VanDerWaalsContact CE1-CG2 3.49Å; V32-K39 HydrophobicContact CB-CB 4.47Å; V32-K39 PolarHBondContact N-O 3.5Å; V32-K39 PolarHBondContact O-N 3.36Å
33	L	95.7	Very high	89.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.1	169.9	175.2	62	0	0	0	107.6	I6 L7 L38 L57 W102 A105 L106	I6-L33 HydrophobicContact CB-CD2 4.39Å; I6-L33 HydrophobicContact CB-CG 4.23Å; I6-L33 HydrophobicContact CD1-CG 4.31Å; I6-L33 HydrophobicContact CG2-CD2 4.46Å; I6-L33 PolarHBondContact N-O 3.02Å; L7-L33 HydrophobicContact CB-CB 4.22Å; L7-L33 HydrophobicContact CD1-CD2 4.48Å; L7-L33 PolarHBondContact N-O 3.16Å; L7-L33 VanDerWaalsContact N-O 3.13Å; L7-L33 PolarHBondContact O-N 3Å; L33-L38 HydrophobicContact CB-CD1 4.19Å; L33-L38 HydrophobicContact CD1-CB 4.42Å; L33-L38 HydrophobicContact CD1-CD1 4.45Å; L33-L57 HydrophobicContact CD1-CD1 3.94Å; L33-L57 HydrophobicContact CD1-CD2 3.65Å; L33-L57 HydrophobicContact CD1-CG 4.37Å; L33-W102 HydrophobicContact CB-CH2 4.25Å; L33-W102 HydrophobicContact CB-CZ3 3.78Å; L33-A105 HydrophobicContact CD2-CB 3.85Å; L33-L106 HydrophobicContact CD1-CD2 3.65Å; L33-L106 HydrophobicContact CD2-CD2 3.99Å; L33-L106 HydrophobicContact CD2-CG 4.08Å; L33-L106 HydrophobicContact CG-CD2 4.44Å
34	D	92.6	Very high	90.2	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.027	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	175.1	167.1	64.9	50.3	0	0	0	110	P3 R4 V5 Q36 E37 K39 L57	P3-D34 HydrophobicContact CB-CB 4.39Å; R4-D34 CarbonylContact O-C 3.59Å; R4-D34 WeakPolarHBondContact O-CA 3.19Å; R4-D34 VanDerWaalsContact O-CB 3.31Å; R4-D34 WeakPolarHBondContact O-CB 3.47Å; V5-D34 HydrophobicContact CG2-CB 4.47Å; D34-Q36 PolarHBondContact O-N 3.04Å; D34-Q36 WeakPolarHBondContact OD1-CA 3.36Å; D34-Q36 PolarHBondContact OD1-N 3.5Å; D34-E37 PolarHBondContact N-O 3.23Å; D34-E37 WeakPolarHBondContact OD1-CG 3.46Å; D34-E37 PolarHBondContact OD1-N 3.07Å; D34-E37 WeakPolarHBondContact OD2-CG 3.37Å; D34-K39 IonicContact OD2-NZ 2.88Å; D34-K39 PolarHBondContact OD2-NZ 3Å; D34-L57 WeakPolarHBondContact O-CD1 3.3Å
35	T	89.1	Confident	90.3	Very high	54 Å²	54	56 Å²	56	33%	0.331	26%	0.264	S	S	.	.	S	Bend	trans	-64.1	-0.4	-178.1	54.3	0	0	0	0	114.8	R4 I6	R4-T35 HydrophobicContact CB-CG2 4.01Å; R4-T35 PolarHBondContact N-OG1 3.05Å; R4-T35 PolarHBondContact O-N 3.23Å; I6-T35 HydrophobicContact CD1-CG2 3.96Å; I6-T35 HydrophobicContact CG1-CG2 4.14Å
36	Q	92.3	Very high	89.9	Confident	96 Å²	96	56.9 Å²	56.9	45%	0.449	29%	0.291	S	S	.	.	S	Bend	trans	-126	-34.2	-179.2	-64.1	-177.5	10.9	0	0	112.6	M1 P3 D34 L57	M1-Q36 PolarHBondContact O-NE2 3.09Å; P3-Q36 HydrophobicContact CB-CG 4.29Å; D34-Q36 PolarHBondContact O-N 3.04Å; D34-Q36 WeakPolarHBondContact OD1-CA 3.36Å; D34-Q36 PolarHBondContact OD1-N 3.5Å; Q36-L57 WeakPolarHBondContact O-CG 3.3Å; Q36-L57 PolarHBondContact O-N 2.79Å
37	E	96.2	Very high	89.3	Confident	49 Å²	49	61.4 Å²	61.4	23%	0.229	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	150	-169.3	51.1	-169.1	167.5	0	0	114.5	D34 K39 C54 I55	D34-E37 PolarHBondContact N-O 3.23Å; D34-E37 WeakPolarHBondContact OD1-CG 3.46Å; D34-E37 PolarHBondContact OD1-N 3.07Å; D34-E37 WeakPolarHBondContact OD2-CG 3.37Å; E37-K39 HydrophobicContact CG-CD 4.43Å; E37-K39 HydrophobicContact CG-CG 4.33Å; E37-K39 WeakPolarHBondContact OE1-CE 3.26Å; E37-K39 IonicContact OE1-NZ 2.57Å; E37-K39 PolarHBondContact OE1-NZ 2.81Å; E37-K39 WeakPolarHBondContact OE2-CE 3.28Å; E37-K39 IonicContact OE2-NZ 3.95Å; E37-C54 PolarHBondContact OE2-SG 2.79Å; E37-I55 CarbonylContact C-O 3.58Å; E37-I55 VanDerWaalsContact CA-O 3.28Å; E37-I55 WeakPolarHBondContact CA-O 3.47Å
38	L	97.1	Very high	88.7	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	106	168.5	177.6	65.2	0	0	0	109.4	F31 L33 I55 L57 V82 I91 W102 L106	F31-L38 HydrophobicContact CD1-CD1 4.1Å; F31-L38 HydrophobicContact CD1-CG 4.47Å; L33-L38 HydrophobicContact CB-CD1 4.19Å; L33-L38 HydrophobicContact CD1-CB 4.42Å; L33-L38 HydrophobicContact CD1-CD1 4.45Å; L38-I55 HydrophobicContact CB-CB 4.41Å; L38-I55 HydrophobicContact CD2-CD1 4.46Å; L38-I55 PolarHBondContact N-O 3.43Å; L38-I55 PolarHBondContact O-N 2.84Å; L38-L57 HydrophobicContact CB-CD2 4.16Å; L38-V82 HydrophobicContact CD2-CG2 4.4Å; L38-I91 HydrophobicContact CD2-CD1 4.43Å; L38-W102 HydrophobicContact CD1-CZ3 3.71Å; L38-L106 HydrophobicContact CD2-CD2 4.26Å
39	K	96.1	Very high	88.2	Confident	56 Å²	56	64.7 Å²	64.7	24%	0.243	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	147.4	178.4	-68.6	168.1	-175.4	130.2	0	111.1	F31 V32 D34 E37 L51 C54	F31-K39 CarbonylContact C-O 3.5Å; F31-K39 VanDerWaalsContact CA-O 3.27Å; F31-K39 WeakPolarHBondContact CA-O 3.32Å; V32-K39 HydrophobicContact CB-CB 4.47Å; V32-K39 PolarHBondContact N-O 3.5Å; V32-K39 PolarHBondContact O-N 3.36Å; D34-K39 IonicContact OD2-NZ 2.88Å; D34-K39 PolarHBondContact OD2-NZ 3Å; E37-K39 HydrophobicContact CG-CD 4.43Å; E37-K39 HydrophobicContact CG-CG 4.33Å; E37-K39 WeakPolarHBondContact OE1-CE 3.26Å; E37-K39 IonicContact OE1-NZ 2.57Å; E37-K39 PolarHBondContact OE1-NZ 2.81Å; E37-K39 WeakPolarHBondContact OE2-CE 3.28Å; E37-K39 IonicContact OE2-NZ 3.95Å; K39-L51 HydrophobicContact CB-CD1 4.06Å; K39-L51 HydrophobicContact CG-CD1 4.24Å; K39-C54 HydrophobicContact CG-CB 4.34Å; K39-C54 VanDerWaalsContact CG-SG 3.5Å
40	Y	95.4	Very high	88	Confident	33 Å²	33	67.9 Å²	67.9	13%	0.129	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.3	166.2	57.6	-93.7	0	0	0	112.2	K13 R29 F30 F31 K52 G53 L89	K13-Y40 HydrophobicContact CD-CD2 3.99Å; K13-Y40 HydrophobicContact CD-CE1 4.46Å; K13-Y40 HydrophobicContact CD-CE2 3.67Å; K13-Y40 WeakPolarHBondContact CE-OH 3.25Å; R29-Y40 HydrophobicContact CG-CD2 4.21Å; F30-Y40 WeakPolarHBondContact O-CA 3.05Å; F31-Y40 HydrophobicContact CD1-CD1 4.25Å; F31-Y40 HydrophobicContact CD1-CG 4.3Å; F31-Y40 AromaticContact CE1-CD1 3.75Å; F31-Y40 HydrophobicContact CE1-CD1 3.75Å; F31-Y40 AromaticContact CE1-CG 3.89Å; F31-Y40 HydrophobicContact CE1-CG 3.89Å; F31-Y40 HydrophobicContact CZ-CD1 4.46Å; F31-Y40 HydrophobicContact CZ-CG 4.27Å; Y40-K52 HydrophobicContact CD2-CB 3.77Å; Y40-K52 HydrophobicContact CE2-CB 3.74Å; Y40-K52 PolarHBondContact O-N 3.3Å; Y40-G53 VanDerWaalsContact CZ-CA 3.47Å; Y40-G53 PolarHBondContact N-O 3.21Å; Y40-G53 PolarHBondContact O-N 2.97Å; Y40-L89 HydrophobicContact CE1-CD2 4.29Å
41	S	93.8	Very high	88	Confident	14 Å²	14	71.7 Å²	71.7	10%	0.098	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	157.1	-174.2	60.1	0	0	0	0	111.8	R29 F30 M50	R29-S41 WeakPolarHBondContact CA-O 3.47Å; R29-S41 WeakPolarHBondContact CD-O 3.4Å; F30-S41 PolarHBondContact N-O 3.45Å; F30-S41 PolarHBondContact O-N 3.47Å; F30-S41 PolarHBondContact O-OG 3.02Å; S41-M50 CarbonylContact C-O 3.57Å; S41-M50 VanDerWaalsContact CA-O 3.28Å; S41-M50 WeakPolarHBondContact CA-O 3.22Å; S41-M50 WeakPolarHBondContact CB-O 3.48Å
42	E	91.3	Very high	87.8	Confident	34 Å²	34	75.8 Å²	75.8	16%	0.159	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	119.7	168.7	-172	176.6	142.4	0	0	108.2	R29 R44 M50 K52	R29-E42 IonicContact CZ-OE2 2.98Å; R29-E42 IonicContact NH1-OE2 3.66Å; R29-E42 IonicContact NH2-OE2 3.93Å; R29-E42 PolarHBondContact NH2-OE2 2.9Å; E42-R44 IonicContact OE1-CZ 3.22Å; E42-R44 VanDerWaalsContact OE1-CZ 3.24Å; E42-R44 IonicContact OE1-NE 3.26Å; E42-R44 PolarHBondContact OE1-NE 2.92Å; E42-R44 IonicContact OE1-NH2 3.79Å; E42-R44 PolarHBondContact OE1-NH2 3Å; E42-M50 PolarHBondContact N-O 3.24Å; E42-M50 PolarHBondContact O-N 2.85Å; E42-K52 HydrophobicContact CB-CG 3.98Å; E42-K52 WeakPolarHBondContact OE2-CE 3.19Å; E42-K52 IonicContact OE2-NZ 2.66Å; E42-K52 PolarHBondContact OE2-NZ 3.09Å
43	R	80.6	Confident	87.7	Confident	149 Å²	149	75.1 Å²	75.1	56%	0.562	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	135.3	172.9	-70.1	-175.6	174.1	-158.8	-3.9	109	F30	F30-R43 HydrophobicContact CB-CG 4.03Å; F30-R43 VanDerWaalsContact CD1-NH2 3.32Å
44	R	78.3	Confident	87.6	Confident	133 Å²	133	77.6 Å²	77.6	50%	0.502	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.7	170.5	-64.7	-175.4	-174.6	-173	1.9	107.8	E42 G46 K47	E42-R44 IonicContact OE1-CZ 3.22Å; E42-R44 VanDerWaalsContact OE1-CZ 3.24Å; E42-R44 IonicContact OE1-NE 3.26Å; E42-R44 PolarHBondContact OE1-NE 2.92Å; E42-R44 IonicContact OE1-NH2 3.79Å; E42-R44 PolarHBondContact OE1-NH2 3Å; R44-G46 PolarHBondContact O-N 2.72Å; R44-K47 HydrophobicContact CB-CB 4.34Å; R44-K47 PolarHBondContact O-N 3.44Å; R44-K47 VanDerWaalsContact O-N 3.13Å
45	P	70.1	Confident	87.8	Confident	135 Å²	135	77.7 Å²	77.7	88%	0.877	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	132.6	176.4	-26.8	34.8	0	0	0	111.3	K47	P45-K47 VanDerWaalsContact C-N 3.29Å; P45-K47 PolarHBondContact O-N 3.07Å
46	G	70.8	Confident	88.1	Confident	92 Å²	92	79.4 Å²	79.4	95%	0.948	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	7.9	178.6	0	0	0	0	0	116.6	R44	R44-G46 PolarHBondContact O-N 2.72Å
47	K	77.3	Confident	88.3	Confident	148 Å²	148	75.2 Å²	75.2	64%	0.643	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	149.6	178.2	-63.3	-169.5	178.3	-172.2	0	112.3	R44 P45	R44-K47 HydrophobicContact CB-CB 4.34Å; R44-K47 PolarHBondContact O-N 3.44Å; R44-K47 VanDerWaalsContact O-N 3.13Å; P45-K47 VanDerWaalsContact C-N 3.29Å; P45-K47 PolarHBondContact O-N 3.07Å
48	K	76.3	Confident	88.2	Confident	199 Å²	199	76.9 Å²	76.9	87%	0.865	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.1	137.6	172.9	-71.4	-173.6	178.8	-178.9	0	110.1	M50	K48-M50 PolarHBondContact O-N 3.22Å
49	P	81	Confident	88.1	Confident	80 Å²	80	82.3 Å²	82.3	52%	0.519	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	127.4	177	-25.2	33.6	0	0	0	111.2
50	M	89.7	Confident	88.2	Confident	92 Å²	92	79.6 Å²	79.6	45%	0.453	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	115.1	-179	-168.4	174.8	58.8	0	0	109.5	S41 E42 K48 K52	S41-M50 CarbonylContact C-O 3.57Å; S41-M50 VanDerWaalsContact CA-O 3.28Å; S41-M50 WeakPolarHBondContact CA-O 3.22Å; S41-M50 WeakPolarHBondContact CB-O 3.48Å; E42-M50 PolarHBondContact N-O 3.24Å; E42-M50 PolarHBondContact O-N 2.85Å; K48-M50 PolarHBondContact O-N 3.22Å; M50-K52 HydrophobicContact CE-CD 4.23Å; M50-K52 PolarHBondContact O-N 2.87Å
51	L	92.8	Very high	88.2	Confident	106 Å²	106	81.2 Å²	81.2	56%	0.555	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.5	129.4	178.9	-171.3	66.9	0	0	0	110.3	K39	K39-L51 HydrophobicContact CB-CD1 4.06Å; K39-L51 HydrophobicContact CG-CD1 4.24Å
52	K	92.8	Very high	88.2	Confident	86 Å²	86	80.6 Å²	80.6	37%	0.374	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-20.2	-178.4	-70.1	-59.1	-163.7	173.8	0	113.5	Y40 E42 M50	Y40-K52 HydrophobicContact CD2-CB 3.77Å; Y40-K52 HydrophobicContact CE2-CB 3.74Å; Y40-K52 PolarHBondContact O-N 3.3Å; E42-K52 HydrophobicContact CB-CG 3.98Å; E42-K52 WeakPolarHBondContact OE2-CE 3.19Å; E42-K52 IonicContact OE2-NZ 2.66Å; E42-K52 PolarHBondContact OE2-NZ 3.09Å; M50-K52 HydrophobicContact CE-CD 4.23Å; M50-K52 PolarHBondContact O-N 2.87Å
53	G	91.6	Very high	88.5	Confident	16 Å²	16	79 Å²	79	17%	0.165	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	158.4	170.9	0	0	0	0	0	110.8	Y40	Y40-G53 VanDerWaalsContact CZ-CA 3.47Å; Y40-G53 PolarHBondContact N-O 3.21Å; Y40-G53 PolarHBondContact O-N 2.97Å
54	C	94.9	Very high	89.2	Confident	53 Å²	53	73 Å²	73	36%	0.358	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	136.3	176.5	-165.4	0	0	0	0	108.2	E37 K39	E37-C54 PolarHBondContact OE2-SG 2.79Å; K39-C54 HydrophobicContact CG-CB 4.34Å; K39-C54 VanDerWaalsContact CG-SG 3.5Å
55	I	96.2	Very high	89.9	Confident	6 Å²	6	67.1 Å²	67.1	3%	0.031	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	116.7	177.9	-58.4	166.2	0	0	0	106.9	E37 L38 L57 I60 H84 L89	E37-I55 CarbonylContact C-O 3.58Å; E37-I55 VanDerWaalsContact CA-O 3.28Å; E37-I55 WeakPolarHBondContact CA-O 3.47Å; L38-I55 HydrophobicContact CB-CB 4.41Å; L38-I55 HydrophobicContact CD2-CD1 4.46Å; L38-I55 PolarHBondContact N-O 3.43Å; L38-I55 PolarHBondContact O-N 2.84Å; I55-L57 PolarHBondContact O-N 2.91Å; I55-I60 HydrophobicContact CG2-CD1 4.25Å; I55-I60 HydrophobicContact CG2-CG1 3.84Å; I55-H84 WeakPolarHBondContact CD1-NE2 3.15Å; I55-H84 HydrophobicContact CG2-CB 3.94Å; I55-L89 HydrophobicContact CD1-CD2 3.53Å
56	E	96.2	Very high	90.8	Very high	91 Å²	91	60.8 Å²	60.8	43%	0.425	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	130.5	169.6	-70.4	168.7	-165.4	0	0	109.1	S58 R59	E56-S58 PolarHBondContact O-N 2.92Å; E56-R59 HydrophobicContact CB-CG 4.06Å; E56-R59 WeakPolarHBondContact O-CB 3.27Å; E56-R59 PolarHBondContact O-N 2.94Å; E56-R59 IonicContact OE1-NH2 3.47Å; E56-R59 PolarHBondContact OE1-NH2 3.29Å; E56-R59 IonicContact OE2-CZ 3.37Å; E56-R59 IonicContact OE2-NE 2.76Å; E56-R59 PolarHBondContact OE2-NE 3.2Å; E56-R59 IonicContact OE2-NH2 3.11Å; E56-R59 PolarHBondContact OE2-NH2 3.36Å; E56-R59 VanDerWaalsContact OE2-NH2 3.11Å
57	L	95.3	Very high	91.5	Very high	8 Å²	8	60.9 Å²	60.9	4%	0.042	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-61.2	-33.5	-175.3	-65	-173.2	0	0	0	112.1	L33 D34 Q36 L38 I55 R59 I60 L106 E109 T110 N113	L33-L57 HydrophobicContact CD1-CD1 3.94Å; L33-L57 HydrophobicContact CD1-CD2 3.65Å; L33-L57 HydrophobicContact CD1-CG 4.37Å; D34-L57 WeakPolarHBondContact O-CD1 3.3Å; Q36-L57 WeakPolarHBondContact O-CG 3.3Å; Q36-L57 PolarHBondContact O-N 2.79Å; L38-L57 HydrophobicContact CB-CD2 4.16Å; I55-L57 PolarHBondContact O-N 2.91Å; L57-R59 PolarHBondContact O-N 2.9Å; L57-R59 VanDerWaalsContact O-N 3.09Å; L57-I60 HydrophobicContact CD2-CD1 3.62Å; L57-I60 WeakPolarHBondContact O-CB 3.32Å; L57-I60 PolarHBondContact O-N 2.99Å; L57-L106 HydrophobicContact CD2-CD2 4.18Å; L57-E109 HydrophobicContact CD1-CB 3.72Å; L57-E109 HydrophobicContact CD1-CG 4.21Å; L57-T110 HydrophobicContact CB-CG2 4.42Å; L57-N113 PolarHBondContact O-ND2 2.93Å
58	S	94.8	Very high	91.5	Very high	84 Å²	84	55.6 Å²	55.6	59%	0.587	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-58.9	-20.7	176.2	58.5	0	0	0	0	114.3	E56	E56-S58 PolarHBondContact O-N 2.92Å
59	R	95.8	Very high	91.1	Very high	113 Å²	113	52.9 Å²	52.9	43%	0.426	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-90	-9.8	179.6	-59	-175.9	-172.8	-145.2	3.5	113.6	E56 L57 K61 H84 D85	E56-R59 HydrophobicContact CB-CG 4.06Å; E56-R59 WeakPolarHBondContact O-CB 3.27Å; E56-R59 PolarHBondContact O-N 2.94Å; E56-R59 IonicContact OE1-NH2 3.47Å; E56-R59 PolarHBondContact OE1-NH2 3.29Å; E56-R59 IonicContact OE2-CZ 3.37Å; E56-R59 IonicContact OE2-NE 2.76Å; E56-R59 PolarHBondContact OE2-NE 3.2Å; E56-R59 IonicContact OE2-NH2 3.11Å; E56-R59 PolarHBondContact OE2-NH2 3.36Å; E56-R59 VanDerWaalsContact OE2-NH2 3.11Å; L57-R59 PolarHBondContact O-N 2.9Å; L57-R59 VanDerWaalsContact O-N 3.09Å; R59-K61 PolarHBondContact O-N 3.09Å; R59-H84 VanDerWaalsContact O-CA 3.3Å; R59-H84 WeakPolarHBondContact O-CA 3.42Å; R59-H84 WeakPolarHBondContact O-CB 3.22Å; R59-D85 WeakPolarHBondContact CD-OD1 3.3Å; R59-D85 WeakPolarHBondContact CD-OD2 3.19Å; R59-D85 IonicContact NH1-OD2 3.98Å; R59-D85 PolarHBondContact O-N 2.94Å
60	I	96.9	Very high	90.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	124.4	178.5	-61.2	176.7	0	0	0	108.8	I55 L57 V63 V82 H84 L106 T110 N113	I55-I60 HydrophobicContact CG2-CD1 4.25Å; I55-I60 HydrophobicContact CG2-CG1 3.84Å; L57-I60 HydrophobicContact CD2-CD1 3.62Å; L57-I60 WeakPolarHBondContact O-CB 3.32Å; L57-I60 PolarHBondContact O-N 2.99Å; I60-V63 HydrophobicContact CG2-CG2 3.43Å; I60-V63 VanDerWaalsContact CG2-CG2 3.43Å; I60-V82 HydrophobicContact CD1-CG1 3.79Å; I60-V82 HydrophobicContact CG1-CG1 3.89Å; I60-V82 HydrophobicContact CG2-CG1 3.95Å; I60-H84 HydrophobicContact CG1-CB 4.21Å; I60-L106 HydrophobicContact CD1-CD2 4.28Å; I60-T110 HydrophobicContact CB-CG2 3.8Å; I60-T110 HydrophobicContact CD1-CG2 4.07Å; I60-T110 HydrophobicContact CG1-CG2 4.47Å; I60-T110 HydrophobicContact CG2-CG2 3.95Å; I60-N113 PolarHBondContact O-ND2 3.07Å
61	K	95.8	Very high	89.6	Confident	66 Å²	66	52.2 Å²	52.2	29%	0.287	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-17.8	-177.9	-57.6	-175.2	178.2	-179.9	0	113.4	R59 F83 N86 L115 V116	R59-K61 PolarHBondContact O-N 3.09Å; K61-F83 HydrophobicContact CB-CD1 3.87Å; K61-F83 HydrophobicContact CB-CE1 4.27Å; K61-F83 HydrophobicContact CD-CE1 4.12Å; K61-F83 PolarHBondContact N-O 2.86Å; K61-N86 PolarHBondContact NZ-OD1 2.9Å; K61-L115 VanDerWaalsContact O-CA 3.28Å; K61-L115 WeakPolarHBondContact O-CA 3.41Å; K61-L115 VanDerWaalsContact O-CD2 3.26Å; K61-L115 WeakPolarHBondContact O-CD2 3.32Å; K61-V116 HydrophobicContact CB-CG1 4.18Å; K61-V116 PolarHBondContact O-N 2.89Å
62	C	94.6	Very high	89	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.007	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	138.9	176.4	158.8	0	0	0	0	110.6	F83 V116 F119 Y145	C62-F83 HydrophobicContact CB-CB 4.1Å; C62-F83 PolarHBondContact N-O 2.8Å; C62-F83 PolarHBondContact O-N 2.88Å; C62-V116 HydrophobicContact CB-CG2 3.59Å; C62-F119 VanDerWaalsContact SG-CB 3.58Å; C62-Y145 HydrophobicContact CB-CD2 4.18Å; C62-Y145 HydrophobicContact CB-CE1 4.37Å; C62-Y145 HydrophobicContact CB-CE2 3.97Å; C62-Y145 HydrophobicContact CB-CG 4.47Å; C62-Y145 VanDerWaalsContact SG-CD2 3.58Å; C62-Y145 WeakPolarHBondContact SG-CE2 3.45Å
63	V	95.9	Very high	88.1	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	121.8	168.4	-176.6	0	0	0	0	109.3	I60 F80 Q81 V82 V103 L106 K107 Y145	I60-V63 HydrophobicContact CG2-CG2 3.43Å; I60-V63 VanDerWaalsContact CG2-CG2 3.43Å; V63-F80 HydrophobicContact CG1-CD2 4.4Å; V63-Q81 WeakPolarHBondContact CA-O 3.46Å; V63-V82 HydrophobicContact CG1-CG2 4.26Å; V63-V82 HydrophobicContact CG2-CG1 4.22Å; V63-V82 HydrophobicContact CG2-CG2 4.22Å; V63-V103 HydrophobicContact CG1-CG1 4.43Å; V63-V103 HydrophobicContact CG1-CG2 4.46Å; V63-L106 HydrophobicContact CB-CB 4.26Å; V63-L106 HydrophobicContact CG1-CB 3.85Å; V63-L106 HydrophobicContact CG1-CD1 3.96Å; V63-L106 HydrophobicContact CG2-CB 4.02Å; V63-K107 HydrophobicContact CB-CG 4.38Å; V63-K107 WeakPolarHBondContact O-CE 3.23Å; V63-Y145 PolarHBondContact N-OH 3.4Å; V63-Y145 WeakPolarHBondContact O-CE2 3.41Å
64	E	95.3	Very high	87.5	Confident	23 Å²	23	48.3 Å²	48.3	11%	0.107	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	157.1	-179.5	-165.3	49	-88.9	0	0	112.7	F80 Q81 K107 F119	E64-F80 CarbonylContact O-C 3.56Å; E64-F80 WeakPolarHBondContact O-CA 3.48Å; E64-F80 WeakPolarHBondContact O-CB 3.34Å; E64-Q81 PolarHBondContact N-O 2.57Å; E64-Q81 VanDerWaalsContact N-O 3.15Å; E64-Q81 WeakPolarHBondContact O-CG 3.47Å; E64-Q81 PolarHBondContact O-N 3.45Å; E64-K107 VanDerWaalsContact OE2-CE 3.24Å; E64-K107 WeakPolarHBondContact OE2-CE 3.41Å; E64-K107 IonicContact OE2-NZ 2.66Å; E64-K107 PolarHBondContact OE2-NZ 3.47Å; E64-F119 HydrophobicContact CB-CD2 3.97Å; E64-F119 HydrophobicContact CB-CE2 3.7Å; E64-F119 HydrophobicContact CB-CZ 4.2Å; E64-F119 HydrophobicContact CG-CD2 4.11Å; E64-F119 HydrophobicContact CG-CE1 4.23Å; E64-F119 HydrophobicContact CG-CE2 3.34Å; E64-F119 HydrophobicContact CG-CZ 3.44Å; E64-F119 VanDerWaalsContact CG-CZ 3.44Å
65	V	93.4	Very high	86.8	Confident	10 Å²	10	52.7 Å²	52.7	6%	0.061	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	138.3	169.3	176.3	0	0	0	0	110.2	L67 R99 V103	V65-L67 HydrophobicContact CG1-CD2 4.47Å; V65-R99 VanDerWaalsContact CG1-NH1 3.28Å; V65-R99 HydrophobicContact CG2-CG 4.37Å; V65-V103 HydrophobicContact CG2-CG2 4.27Å
66	V	90.5	Very high	86.4	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.012	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-95.4	117.8	170.9	179.3	0	0	0	0	108.1	P79 Q81 Y90 P121 F123	V66-P79 HydrophobicContact CB-CB 4.08Å; V66-P79 HydrophobicContact CB-CG 4.06Å; V66-P79 HydrophobicContact CG1-CG 4.49Å; V66-P79 PolarHBondContact N-O 3.02Å; V66-P79 VanDerWaalsContact N-O 3.09Å; V66-P79 WeakPolarHBondContact O-CG 3.31Å; V66-Q81 HydrophobicContact CG2-CB 3.68Å; V66-Q81 HydrophobicContact CG2-CG 4.03Å; V66-Y90 HydrophobicContact CG2-CD1 3.9Å; V66-Y90 HydrophobicContact CG2-CE1 3.96Å; V66-P121 CarbonylContact C-O 3.53Å; V66-P121 WeakPolarHBondContact CA-O 3.48Å; V66-F123 HydrophobicContact CB-CE1 4.48Å; V66-F123 HydrophobicContact CB-CZ 4.49Å; V66-F123 HydrophobicContact CG1-CD1 3.91Å; V66-F123 HydrophobicContact CG1-CD2 4Å; V66-F123 HydrophobicContact CG1-CE1 3.8Å; V66-F123 HydrophobicContact CG1-CE2 3.92Å; V66-F123 HydrophobicContact CG1-CG 4Å; V66-F123 HydrophobicContact CG1-CZ 3.8Å
67	L	83.8	Confident	85.9	Confident	95 Å²	95	55.7 Å²	55.7	50%	0.497	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-73.4	131.4	167.8	-53.6	-178.4	0	0	0	107.7	V65 P121 N122	V65-L67 HydrophobicContact CG1-CD2 4.47Å; L67-P121 HydrophobicContact CD1-CB 4.03Å; L67-P121 HydrophobicContact CG-CB 4.24Å; L67-P121 PolarHBondContact N-O 2.71Å; L67-N122 WeakPolarHBondContact O-CA 3.33Å; L67-N122 PolarHBondContact O-ND2 3.01Å; L67-N122 PolarHBondContact O-OD1 3.24Å
68	S	77.2	Confident	85.6	Confident	36 Å²	36	58.2 Å²	58.2	25%	0.252	31%	0.312	S	S	.	.			trans	-143	122.1	176.5	-163.1	0	0	0	0	110.9	A70 F123	S68-A70 VanDerWaalsContact C-N 3.31Å; S68-A70 PolarHBondContact OG-N 3.02Å; S68-A70 PolarHBondContact OG-O 2.99Å; S68-F123 WeakPolarHBondContact OG-CD2 3.36Å; S68-F123 VanDerWaalsContact OG-CE2 3.31Å; S68-F123 WeakPolarHBondContact OG-CE2 3.31Å
69	D	69.7	Low	85.6	Confident	142 Å²	142	54.4 Å²	54.4	76%	0.759	29%	0.285	S	S	*	.			trans	-94.4	0.6	173.3	-35.3	-53.2	0	0	0	110.7
70	A	67.3	Low	85.6	Confident	29 Å²	29	49 Å²	49	24%	0.24	27%	0.265	C	S	.	.	S	Bend	trans	-100	144.6	179.9	0	0	0	0	0	110.4	S68 I72 M125	S68-A70 VanDerWaalsContact C-N 3.31Å; S68-A70 PolarHBondContact OG-N 3.02Å; S68-A70 PolarHBondContact OG-O 2.99Å; A70-I72 PolarHBondContact O-N 3.12Å; A70-I72 VanDerWaalsContact O-N 3.14Å; A70-M125 HydrophobicContact CB-CE 4.43Å
71	P	71.1	Confident	85.5	Confident	130 Å²	130	49 Å²	49	84%	0.844	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-56.3	120.7	174.5	-24.9	33.7	0	0	0	111.6	P73	P71-P73 WeakPolarHBondContact O-CD 3.48Å
72	I	80.3	Confident	85.5	Confident	22 Å²	22	45.9 Å²	45.9	11%	0.113	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-77.6	121.4	175.5	-66.5	170.4	0	0	0	108.3	A70 C74 K77 P79 F92	A70-I72 PolarHBondContact O-N 3.12Å; A70-I72 VanDerWaalsContact O-N 3.14Å; I72-C74 VanDerWaalsContact C-N 3.28Å; I72-C74 VanDerWaalsContact CG2-SG 3.53Å; I72-C74 PolarHBondContact O-N 3.33Å; I72-K77 HydrophobicContact CB-CD 4.05Å; I72-K77 WeakPolarHBondContact CD1-O 3.31Å; I72-K77 HydrophobicContact CG2-CD 4.26Å; I72-K77 PolarHBondContact O-NZ 3.47Å; I72-P79 HydrophobicContact CD1-CG 3.76Å; I72-F92 HydrophobicContact CB-CE1 4.47Å; I72-F92 HydrophobicContact CD1-CD1 4.39Å; I72-F92 HydrophobicContact CD1-CE1 4.17Å; I72-F92 HydrophobicContact CG1-CE1 4.25Å; I72-F92 HydrophobicContact CG2-CD1 3.62Å; I72-F92 HydrophobicContact CG2-CE1 3.45Å; I72-F92 VanDerWaalsContact CG2-CE1 3.45Å
73	P	73.7	Confident	85.6	Confident	94 Å²	94	46.5 Å²	46.5	61%	0.61	25%	0.254	S	S	*	.	S	Bend	trans	-81.1	0.5	-170.1	33.1	-38.4	0	0	0	114.6	Y26 P71	Y26-P73 HydrophobicContact CD2-CG 4.18Å; Y26-P73 HydrophobicContact CE1-CG 4.22Å; Y26-P73 HydrophobicContact CE2-CG 3.38Å; Y26-P73 VanDerWaalsContact CZ-CG 3.4Å; Y26-P73 WeakPolarHBondContact OH-CG 3.39Å; P71-P73 WeakPolarHBondContact O-CD 3.48Å
74	C	78.6	Confident	85.5	Confident	9 Å²	9	47.8 Å²	47.8	6%	0.061	26%	0.26	C	S	.	.	S	Bend	trans	-109	163.4	175.6	62.6	0	0	0	0	112.4	I12 Y26 I72 Y76 K77	I12-C74 HydrophobicContact CD1-CB 3.88Å; I12-C74 HydrophobicContact CG2-CB 4.16Å; Y26-C74 HydrophobicContact CD1-CB 3.82Å; Y26-C74 HydrophobicContact CG-CB 4Å; I72-C74 VanDerWaalsContact C-N 3.28Å; I72-C74 VanDerWaalsContact CG2-SG 3.53Å; I72-C74 PolarHBondContact O-N 3.33Å; C74-Y76 VanDerWaalsContact C-N 3.25Å; C74-Y76 PolarHBondContact O-N 2.82Å; C74-Y76 PolarHBondContact SG-O 2.89Å; C74-K77 WeakPolarHBondContact O-CD 3.3Å; C74-K77 WeakPolarHBondContact O-CE 3.38Å; C74-K77 PolarHBondContact O-NZ 3.29Å
75	N	80.9	Confident	85.2	Confident	146 Å²	146	49.5 Å²	49.5	78%	0.781	27%	0.27	S	S	*	.	S	Bend	trans	-66.3	-24.2	-175.3	-64.7	-9.3	0	0	0	113.6
76	Y	87.1	Confident	84.9	Confident	56 Å²	56	53.1 Å²	53.1	22%	0.22	29%	0.289	C	S	.	.			trans	-91.4	119.6	176.8	-70.8	2.9	0	0	0	110.3	I12 C74 F92 A93 P94	I12-Y76 HydrophobicContact CB-CD2 4.24Å; I12-Y76 HydrophobicContact CD1-CD1 4.33Å; I12-Y76 HydrophobicContact CD1-CD2 4.02Å; I12-Y76 HydrophobicContact CD1-CG 3.85Å; I12-Y76 HydrophobicContact CG1-CD2 3.72Å; I12-Y76 HydrophobicContact CG1-CE2 4.21Å; I12-Y76 HydrophobicContact CG1-CG 4.07Å; C74-Y76 VanDerWaalsContact C-N 3.25Å; C74-Y76 PolarHBondContact O-N 2.82Å; C74-Y76 PolarHBondContact SG-O 2.89Å; Y76-F92 VanDerWaalsContact CD2-O 3.3Å; Y76-F92 WeakPolarHBondContact CD2-O 3.33Å; Y76-F92 WeakPolarHBondContact O-CD1 3.2Å; Y76-A93 WeakPolarHBondContact CB-O 3.45Å; Y76-P94 HydrophobicContact CD1-CB 4.19Å; Y76-P94 HydrophobicContact CD2-CB 4.34Å; Y76-P94 HydrophobicContact CE1-CB 3.89Å; Y76-P94 HydrophobicContact CE2-CB 4.04Å; Y76-P94 HydrophobicContact CE2-CG 4.43Å; Y76-P94 HydrophobicContact CG-CB 4.43Å
77	K	85.9	Confident	84.9	Confident	104 Å²	104	59 Å²	59	45%	0.452	31%	0.312	S	S	.	.			trans	-104.2	4.1	-168	-56.5	-56.4	-172.6	-168.2	0	114.9	I72 C74 P79	I72-K77 HydrophobicContact CB-CD 4.05Å; I72-K77 WeakPolarHBondContact CD1-O 3.31Å; I72-K77 HydrophobicContact CG2-CD 4.26Å; I72-K77 PolarHBondContact O-NZ 3.47Å; C74-K77 WeakPolarHBondContact O-CD 3.3Å; C74-K77 WeakPolarHBondContact O-CE 3.38Å; C74-K77 PolarHBondContact O-NZ 3.29Å; K77-P79 VanDerWaalsContact C-CD 3.5Å; K77-P79 WeakPolarHBondContact O-CD 3.25Å
78	Y	89.3	Confident	85.2	Confident	61 Å²	61	55.2 Å²	55.2	24%	0.239	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	83.3	-175.4	-57.8	-85.2	0	0	0	110.5	A93 D95 N96	Y78-A93 PolarHBondContact O-N 2.66Å; Y78-D95 VanDerWaalsContact CE2-CA 3.43Å; Y78-D95 HydrophobicContact CE2-CB 4.48Å; Y78-D95 VanDerWaalsContact CG-C 3.49Å; Y78-N96 HydrophobicContact CD1-CB 3.67Å; Y78-N96 HydrophobicContact CE1-CB 3.57Å; Y78-N96 HydrophobicContact CG-CB 4.41Å
79	P	94.3	Very high	86	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.019	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	147.5	-176.8	33	-35.4	0	0	0	112.5	V66 I72 K77 I91 F92 R99 F123	V66-P79 HydrophobicContact CB-CB 4.08Å; V66-P79 HydrophobicContact CB-CG 4.06Å; V66-P79 HydrophobicContact CG1-CG 4.49Å; V66-P79 PolarHBondContact N-O 3.02Å; V66-P79 VanDerWaalsContact N-O 3.09Å; V66-P79 WeakPolarHBondContact O-CG 3.31Å; I72-P79 HydrophobicContact CD1-CG 3.76Å; K77-P79 VanDerWaalsContact C-CD 3.5Å; K77-P79 WeakPolarHBondContact O-CD 3.25Å; P79-I91 CarbonylContact C-O 3.45Å; P79-I91 VanDerWaalsContact CA-O 3.25Å; P79-I91 WeakPolarHBondContact CA-O 3.47Å; P79-F92 HydrophobicContact CB-CD1 3.76Å; P79-F92 HydrophobicContact CB-CE1 3.68Å; P79-F92 HydrophobicContact CB-CG 4.33Å; P79-F92 HydrophobicContact CB-CZ 4.16Å; P79-F92 HydrophobicContact CG-CE1 4.35Å; P79-R99 VanDerWaalsContact O-CD 3.29Å; P79-R99 WeakPolarHBondContact O-CD 3.41Å; P79-F123 HydrophobicContact CB-CE1 4.32Å; P79-F123 HydrophobicContact CB-CZ 3.73Å; P79-F123 HydrophobicContact CG-CE2 4.42Å; P79-F123 HydrophobicContact CG-CZ 3.88Å
80	F	95.6	Very high	87.2	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	161.9	164.5	66.4	-81.1	0	0	0	109.2	M11 V63 E64 V82 I91 A93 R99 W102 V103 L106	M11-F80 HydrophobicContact CE-CZ 4.38Å; M11-F80 HydrophobicContact SD-CE1 3.94Å; M11-F80 HydrophobicContact SD-CZ 4.09Å; V63-F80 HydrophobicContact CG1-CD2 4.4Å; E64-F80 CarbonylContact O-C 3.56Å; E64-F80 WeakPolarHBondContact O-CA 3.48Å; E64-F80 WeakPolarHBondContact O-CB 3.34Å; F80-V82 HydrophobicContact CD2-CG2 4.37Å; F80-V82 HydrophobicContact CE2-CG2 4.15Å; F80-I91 HydrophobicContact CD1-CB 4.17Å; F80-I91 HydrophobicContact CD1-CG2 4.48Å; F80-I91 WeakPolarHBondContact CD1-O 3.33Å; F80-I91 HydrophobicContact CD2-CB 4.47Å; F80-I91 HydrophobicContact CE1-CB 3.65Å; F80-I91 HydrophobicContact CE1-CG2 3.57Å; F80-I91 HydrophobicContact CE2-CB 3.99Å; F80-I91 HydrophobicContact CE2-CD1 3.74Å; F80-I91 HydrophobicContact CE2-CG1 4.32Å; F80-I91 HydrophobicContact CE2-CG2 4.45Å; F80-I91 HydrophobicContact CZ-CB 3.56Å; F80-I91 HydrophobicContact CZ-CD1 3.78Å; F80-I91 HydrophobicContact CZ-CG1 4.22Å; F80-I91 HydrophobicContact CZ-CG2 3.56Å; F80-I91 PolarHBondContact N-O 3.49Å; F80-I91 PolarHBondContact O-N 2.76Å; F80-I91 VanDerWaalsContact O-O 3.13Å; F80-A93 HydrophobicContact CE1-CB 4.46Å; F80-R99 HydrophobicContact CB-CG 4.2Å; F80-R99 HydrophobicContact CD1-CG 4.04Å; F80-R99 HydrophobicContact CG-CG 4.47Å; F80-W102 HydrophobicContact CE1-CB 4.32Å; F80-W102 HydrophobicContact CE2-CB 4.46Å; F80-W102 HydrophobicContact CZ-CB 3.93Å; F80-W102 HydrophobicContact CZ-CG 4.48Å; F80-V103 HydrophobicContact CB-CG2 3.54Å; F80-V103 HydrophobicContact CD1-CG2 4.5Å; F80-V103 HydrophobicContact CD2-CG2 3.89Å; F80-V103 HydrophobicContact CG-CG2 3.75Å; F80-L106 HydrophobicContact CE2-CD1 3.89Å
81	Q	95.1	Very high	88.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	146	-179.8	69.3	-170.1	-45.4	0	0	111.1	V63 E64 V66 L89 Y90 H120	V63-Q81 WeakPolarHBondContact CA-O 3.46Å; E64-Q81 PolarHBondContact N-O 2.57Å; E64-Q81 VanDerWaalsContact N-O 3.15Å; E64-Q81 WeakPolarHBondContact O-CG 3.47Å; E64-Q81 PolarHBondContact O-N 3.45Å; V66-Q81 HydrophobicContact CG2-CB 3.68Å; V66-Q81 HydrophobicContact CG2-CG 4.03Å; Q81-L89 CarbonylContact C-O 3.51Å; Q81-L89 VanDerWaalsContact CA-O 3.32Å; Q81-L89 WeakPolarHBondContact CA-O 3.33Å; Q81-Y90 HydrophobicContact CB-CD1 3.87Å; Q81-Y90 HydrophobicContact CB-CE1 3.93Å; Q81-H120 PolarHBondContact NE2-O 3.24Å
82	V	96.5	Very high	89.7	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	113.8	166.2	-179.8	0	0	0	0	106.6	L38 I60 V63 F80 L89 I91 L106	L38-V82 HydrophobicContact CD2-CG2 4.4Å; I60-V82 HydrophobicContact CD1-CG1 3.79Å; I60-V82 HydrophobicContact CG1-CG1 3.89Å; I60-V82 HydrophobicContact CG2-CG1 3.95Å; V63-V82 HydrophobicContact CG1-CG2 4.26Å; V63-V82 HydrophobicContact CG2-CG1 4.22Å; V63-V82 HydrophobicContact CG2-CG2 4.22Å; F80-V82 HydrophobicContact CD2-CG2 4.37Å; F80-V82 HydrophobicContact CE2-CG2 4.15Å; V82-L89 HydrophobicContact CB-CB 4.28Å; V82-L89 PolarHBondContact N-O 3.49Å; V82-L89 WeakPolarHBondContact O-CB 3.49Å; V82-L89 PolarHBondContact O-N 2.65Å; V82-I91 HydrophobicContact CG2-CD1 4.13Å; V82-L106 HydrophobicContact CG2-CD1 3.94Å
83	F	95.3	Very high	90.2	Very high	15 Å²	15	39 Å²	39	7%	0.066	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	118.5	175.7	-178.6	-122.6	0	0	0	109.4	K61 C62 Y87 Y88 V116 L138	K61-F83 HydrophobicContact CB-CD1 3.87Å; K61-F83 HydrophobicContact CB-CE1 4.27Å; K61-F83 HydrophobicContact CD-CE1 4.12Å; K61-F83 PolarHBondContact N-O 2.86Å; C62-F83 HydrophobicContact CB-CB 4.1Å; C62-F83 PolarHBondContact N-O 2.8Å; C62-F83 PolarHBondContact O-N 2.88Å; F83-Y87 WeakPolarHBondContact CA-O 3.43Å; F83-Y87 WeakPolarHBondContact CD2-O 3.44Å; F83-Y88 HydrophobicContact CB-CD1 4.2Å; F83-Y88 HydrophobicContact CB-CE1 4.06Å; F83-Y88 AromaticContact CD2-CD1 3.77Å; F83-Y88 HydrophobicContact CD2-CD1 3.77Å; F83-Y88 AromaticContact CD2-CD2 3.87Å; F83-Y88 HydrophobicContact CD2-CD2 3.87Å; F83-Y88 AromaticContact CD2-CE1 3.53Å; F83-Y88 HydrophobicContact CD2-CE1 3.53Å; F83-Y88 AromaticContact CD2-CE2 3.63Å; F83-Y88 HydrophobicContact CD2-CE2 3.63Å; F83-Y88 AromaticContact CD2-CG 3.94Å; F83-Y88 HydrophobicContact CD2-CG 3.94Å; F83-Y88 AromaticContact CD2-CZ 3.46Å; F83-Y88 VanDerWaalsContact CD2-CZ 3.46Å; F83-Y88 AromaticContact CE2-CD2 3.99Å; F83-Y88 HydrophobicContact CE2-CD2 3.99Å; F83-Y88 HydrophobicContact CE2-CE1 4.15Å; F83-Y88 AromaticContact CE2-CE2 3.48Å; F83-Y88 HydrophobicContact CE2-CE2 3.48Å; F83-Y88 VanDerWaalsContact CE2-CE2 3.48Å; F83-Y88 AromaticContact CE2-CZ 3.58Å; F83-Y88 HydrophobicContact CG-CD1 4.31Å; F83-Y88 AromaticContact CG-CE1 3.9Å; F83-Y88 HydrophobicContact CG-CE1 3.9Å; F83-Y88 HydrophobicContact CZ-CE2 4.44Å; F83-V116 HydrophobicContact CD1-CG1 4.21Å; F83-V116 HydrophobicContact CE1-CG1 3.89Å; F83-L138 HydrophobicContact CE2-CD2 4.47Å
84	H	94.8	Very high	90.5	Very high	26 Å²	26	36.8 Å²	36.8	12%	0.12	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	142.7	-177.1	71.9	92.8	0	0	0	109.9	I55 R59 I60 N86 Y87	I55-H84 WeakPolarHBondContact CD1-NE2 3.15Å; I55-H84 HydrophobicContact CG2-CB 3.94Å; R59-H84 VanDerWaalsContact O-CA 3.3Å; R59-H84 WeakPolarHBondContact O-CA 3.42Å; R59-H84 WeakPolarHBondContact O-CB 3.22Å; I60-H84 HydrophobicContact CG1-CB 4.21Å; H84-N86 PolarHBondContact O-N 2.81Å; H84-Y87 PolarHBondContact N-O 3.46Å; H84-Y87 WeakPolarHBondContact O-CA 3.4Å; H84-Y87 WeakPolarHBondContact O-CB 3.49Å; H84-Y87 PolarHBondContact O-N 3.02Å
85	D	88.4	Confident	90.7	Very high	59 Å²	59	39.2 Å²	39.2	32%	0.316	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	33.1	176.5	-55.9	-54.6	0	0	0	115.8	R59 Y87	R59-D85 WeakPolarHBondContact CD-OD1 3.3Å; R59-D85 WeakPolarHBondContact CD-OD2 3.19Å; R59-D85 IonicContact NH1-OD2 3.98Å; R59-D85 PolarHBondContact O-N 2.94Å; D85-Y87 VanDerWaalsContact C-N 3.3Å; D85-Y87 HydrophobicContact CB-CD2 4.13Å; D85-Y87 WeakPolarHBondContact O-CD2 2.91Å; D85-Y87 WeakPolarHBondContact O-CE2 3.42Å; D85-Y87 PolarHBondContact O-N 2.83Å
86	N	88.3	Confident	90.7	Very high	86 Å²	86	35.5 Å²	35.5	46%	0.46	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	21.9	-174.2	-46.3	-34	0	0	0	114.9	K61 H84 L138	K61-N86 PolarHBondContact NZ-OD1 2.9Å; H84-N86 PolarHBondContact O-N 2.81Å; N86-L138 HydrophobicContact CB-CD1 4.15Å; N86-L138 HydrophobicContact CB-CD2 3.95Å; N86-L138 WeakPolarHBondContact O-CD2 3.48Å
87	Y	89.5	Confident	90.1	Very high	127 Å²	127	37.7 Å²	37.7	50%	0.498	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.9	175.1	-68.2	-76.9	0	0	0	111.2	F83 H84 D85	F83-Y87 WeakPolarHBondContact CA-O 3.43Å; F83-Y87 WeakPolarHBondContact CD2-O 3.44Å; H84-Y87 PolarHBondContact N-O 3.46Å; H84-Y87 WeakPolarHBondContact O-CA 3.4Å; H84-Y87 WeakPolarHBondContact O-CB 3.49Å; H84-Y87 PolarHBondContact O-N 3.02Å; D85-Y87 VanDerWaalsContact C-N 3.3Å; D85-Y87 HydrophobicContact CB-CD2 4.13Å; D85-Y87 WeakPolarHBondContact O-CD2 2.91Å; D85-Y87 WeakPolarHBondContact O-CE2 3.42Å; D85-Y87 PolarHBondContact O-N 2.83Å
88	Y	91.1	Very high	89.7	Confident	15 Å²	15	33.2 Å²	33.2	6%	0.059	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	120.9	170.2	-67.7	-89.5	0	0	0	109.7	Q16 F83 W129 L138	Q16-Y88 PolarHBondContact NE2-O 2.98Å; F83-Y88 HydrophobicContact CB-CD1 4.2Å; F83-Y88 HydrophobicContact CB-CE1 4.06Å; F83-Y88 AromaticContact CD2-CD1 3.77Å; F83-Y88 HydrophobicContact CD2-CD1 3.77Å; F83-Y88 AromaticContact CD2-CD2 3.87Å; F83-Y88 HydrophobicContact CD2-CD2 3.87Å; F83-Y88 AromaticContact CD2-CE1 3.53Å; F83-Y88 HydrophobicContact CD2-CE1 3.53Å; F83-Y88 AromaticContact CD2-CE2 3.63Å; F83-Y88 HydrophobicContact CD2-CE2 3.63Å; F83-Y88 AromaticContact CD2-CG 3.94Å; F83-Y88 HydrophobicContact CD2-CG 3.94Å; F83-Y88 AromaticContact CD2-CZ 3.46Å; F83-Y88 VanDerWaalsContact CD2-CZ 3.46Å; F83-Y88 AromaticContact CE2-CD2 3.99Å; F83-Y88 HydrophobicContact CE2-CD2 3.99Å; F83-Y88 HydrophobicContact CE2-CE1 4.15Å; F83-Y88 AromaticContact CE2-CE2 3.48Å; F83-Y88 HydrophobicContact CE2-CE2 3.48Å; F83-Y88 VanDerWaalsContact CE2-CE2 3.48Å; F83-Y88 AromaticContact CE2-CZ 3.58Å; F83-Y88 HydrophobicContact CG-CD1 4.31Å; F83-Y88 AromaticContact CG-CE1 3.9Å; F83-Y88 HydrophobicContact CG-CE1 3.9Å; F83-Y88 HydrophobicContact CZ-CE2 4.44Å; Y88-W129 AromaticContact CD1-CH2 3.84Å; Y88-W129 HydrophobicContact CD1-CH2 3.84Å; Y88-W129 HydrophobicContact CD2-CH2 4.03Å; Y88-W129 HydrophobicContact CD2-CZ2 4.14Å; Y88-W129 AromaticContact CE1-CH2 3.54Å; Y88-W129 HydrophobicContact CE1-CH2 3.54Å; Y88-W129 HydrophobicContact CE1-CZ2 4.03Å; Y88-W129 AromaticContact CE2-CH2 3.75Å; Y88-W129 HydrophobicContact CE2-CH2 3.75Å; Y88-W129 AromaticContact CE2-CZ2 3.53Å; Y88-W129 HydrophobicContact CE2-CZ2 3.53Å; Y88-W129 HydrophobicContact CG-CH2 4.07Å; Y88-W129 AromaticContact CZ-CH2 3.49Å; Y88-W129 VanDerWaalsContact CZ-CH2 3.49Å; Y88-W129 AromaticContact CZ-CZ2 3.47Å; Y88-W129 VanDerWaalsContact CZ-CZ2 3.47Å; Y88-L138 HydrophobicContact CE2-CD2 4.47Å
89	L	93.7	Very high	90	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.026	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	112.6	169	174.1	59.8	0	0	0	108.7	K13 Y40 I55 Q81 V82 I91	K13-L89 HydrophobicContact CD-CD1 3.86Å; K13-L89 HydrophobicContact CG-CD1 3.68Å; Y40-L89 HydrophobicContact CE1-CD2 4.29Å; I55-L89 HydrophobicContact CD1-CD2 3.53Å; Q81-L89 CarbonylContact C-O 3.51Å; Q81-L89 VanDerWaalsContact CA-O 3.32Å; Q81-L89 WeakPolarHBondContact CA-O 3.33Å; V82-L89 HydrophobicContact CB-CB 4.28Å; V82-L89 PolarHBondContact N-O 3.49Å; V82-L89 WeakPolarHBondContact O-CB 3.49Å; V82-L89 PolarHBondContact O-N 2.65Å; L89-I91 HydrophobicContact CD1-CG1 4.36Å; L89-I91 HydrophobicContact CD2-CD1 3.89Å; L89-I91 HydrophobicContact CD2-CG1 4.15Å; L89-I91 HydrophobicContact CG-CD1 4.11Å; L89-I91 HydrophobicContact CG-CG1 3.83Å
90	Y	94.6	Very high	89.6	Confident	13 Å²	13	34 Å²	34	5%	0.051	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124.4	172.2	-59.1	-68	0	0	0	110.3	K14 V66 Q81 F123 W124 W129	K14-Y90 HydrophobicContact CD-CD2 4.05Å; K14-Y90 PolarHBondContact N-O 2.76Å; V66-Y90 HydrophobicContact CG2-CD1 3.9Å; V66-Y90 HydrophobicContact CG2-CE1 3.96Å; Q81-Y90 HydrophobicContact CB-CD1 3.87Å; Q81-Y90 HydrophobicContact CB-CE1 3.93Å; Y90-F123 AromaticContact CD1-CD1 3.74Å; Y90-F123 HydrophobicContact CD1-CD1 3.74Å; Y90-F123 AromaticContact CD1-CE1 3.72Å; Y90-F123 HydrophobicContact CD1-CE1 3.72Å; Y90-F123 HydrophobicContact CD2-CD1 4.16Å; Y90-F123 HydrophobicContact CD2-CE1 4.45Å; Y90-F123 AromaticContact CE1-CD1 3.73Å; Y90-F123 HydrophobicContact CE1-CD1 3.73Å; Y90-F123 HydrophobicContact CE1-CE1 4.17Å; Y90-F123 HydrophobicContact CE2-CD1 4.13Å; Y90-F123 AromaticContact CG-CD1 3.95Å; Y90-F123 HydrophobicContact CG-CD1 3.95Å; Y90-F123 AromaticContact CG-CE1 3.87Å; Y90-F123 HydrophobicContact CG-CE1 3.87Å; Y90-F123 AromaticContact CZ-CD1 3.92Å; Y90-W124 PolarHBondContact OH-N 3.12Å; Y90-W124 VanDerWaalsContact OH-N 3.07Å; Y90-W129 VanDerWaalsContact OH-CZ3 3.3Å; Y90-W129 WeakPolarHBondContact OH-CZ3 3.32Å
91	I	95.4	Very high	89.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.8	-180	-51.5	175	0	0	0	107.6	M11 I12 F31 L38 P79 F80 V82 L89	M11-I91 HydrophobicContact CB-CG2 3.74Å; M11-I91 HydrophobicContact CE-CG2 3.96Å; M11-I91 HydrophobicContact CG-CG2 4.35Å; M11-I91 HydrophobicContact SD-CG2 3.72Å; I12-I91 CarbonylContact O-C 3.59Å; I12-I91 WeakPolarHBondContact O-CA 3.28Å; F31-I91 HydrophobicContact CD1-CD1 4.22Å; F31-I91 HydrophobicContact CE1-CD1 3.57Å; F31-I91 HydrophobicContact CE1-CG1 4.1Å; F31-I91 HydrophobicContact CE1-CG2 4.5Å; F31-I91 HydrophobicContact CE2-CG2 4.09Å; F31-I91 HydrophobicContact CZ-CD1 3.97Å; F31-I91 HydrophobicContact CZ-CG1 3.98Å; F31-I91 HydrophobicContact CZ-CG2 3.98Å; L38-I91 HydrophobicContact CD2-CD1 4.43Å; P79-I91 CarbonylContact C-O 3.45Å; P79-I91 VanDerWaalsContact CA-O 3.25Å; P79-I91 WeakPolarHBondContact CA-O 3.47Å; F80-I91 HydrophobicContact CD1-CB 4.17Å; F80-I91 HydrophobicContact CD1-CG2 4.48Å; F80-I91 WeakPolarHBondContact CD1-O 3.33Å; F80-I91 HydrophobicContact CD2-CB 4.47Å; F80-I91 HydrophobicContact CE1-CB 3.65Å; F80-I91 HydrophobicContact CE1-CG2 3.57Å; F80-I91 HydrophobicContact CE2-CB 3.99Å; F80-I91 HydrophobicContact CE2-CD1 3.74Å; F80-I91 HydrophobicContact CE2-CG1 4.32Å; F80-I91 HydrophobicContact CE2-CG2 4.45Å; F80-I91 HydrophobicContact CZ-CB 3.56Å; F80-I91 HydrophobicContact CZ-CD1 3.78Å; F80-I91 HydrophobicContact CZ-CG1 4.22Å; F80-I91 HydrophobicContact CZ-CG2 3.56Å; F80-I91 PolarHBondContact N-O 3.49Å; F80-I91 PolarHBondContact O-N 2.76Å; F80-I91 VanDerWaalsContact O-O 3.13Å; V82-I91 HydrophobicContact CG2-CD1 4.13Å; L89-I91 HydrophobicContact CD1-CG1 4.36Å; L89-I91 HydrophobicContact CD2-CD1 3.89Å; L89-I91 HydrophobicContact CD2-CG1 4.15Å; L89-I91 HydrophobicContact CG-CD1 4.11Å; L89-I91 HydrophobicContact CG-CG1 3.83Å
92	F	95	Very high	89.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	118.2	-178.2	-61.8	-107.5	0	0	0	107.1	M11 I12 K14 Y26 I72 Y76 P79 F123	M11-F92 WeakPolarHBondContact CB-O 3.48Å; I12-F92 HydrophobicContact CB-CB 4.11Å; I12-F92 PolarHBondContact N-O 3.48Å; I12-F92 WeakPolarHBondContact O-CD2 3.47Å; I12-F92 PolarHBondContact O-N 3.07Å; K14-F92 HydrophobicContact CB-CE2 3.79Å; Y26-F92 HydrophobicContact CD1-CD2 4.48Å; Y26-F92 HydrophobicContact CD1-CE2 4.22Å; Y26-F92 HydrophobicContact CD1-CZ 4.45Å; Y26-F92 HydrophobicContact CE1-CD2 4.47Å; Y26-F92 HydrophobicContact CE1-CE1 4.24Å; Y26-F92 AromaticContact CE1-CE2 3.84Å; Y26-F92 HydrophobicContact CE1-CE2 3.84Å; Y26-F92 AromaticContact CE1-CZ 3.69Å; Y26-F92 HydrophobicContact CE1-CZ 3.69Å; I72-F92 HydrophobicContact CB-CE1 4.47Å; I72-F92 HydrophobicContact CD1-CD1 4.39Å; I72-F92 HydrophobicContact CD1-CE1 4.17Å; I72-F92 HydrophobicContact CG1-CE1 4.25Å; I72-F92 HydrophobicContact CG2-CD1 3.62Å; I72-F92 HydrophobicContact CG2-CE1 3.45Å; I72-F92 VanDerWaalsContact CG2-CE1 3.45Å; Y76-F92 VanDerWaalsContact CD2-O 3.3Å; Y76-F92 WeakPolarHBondContact CD2-O 3.33Å; Y76-F92 WeakPolarHBondContact O-CD1 3.2Å; P79-F92 HydrophobicContact CB-CD1 3.76Å; P79-F92 HydrophobicContact CB-CE1 3.68Å; P79-F92 HydrophobicContact CB-CG 4.33Å; P79-F92 HydrophobicContact CB-CZ 4.16Å; P79-F92 HydrophobicContact CG-CE1 4.35Å; F92-F123 HydrophobicContact CE1-CE1 4.33Å; F92-F123 AromaticContact CE1-CZ 3.73Å; F92-F123 HydrophobicContact CE1-CZ 3.73Å; F92-F123 AromaticContact CZ-CE1 3.7Å; F92-F123 HydrophobicContact CZ-CE1 3.7Å; F92-F123 AromaticContact CZ-CZ 3.56Å; F92-F123 HydrophobicContact CZ-CZ 3.56Å
93	A	91.1	Very high	89.1	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	152.1	178.2	0	0	0	0	0	111.2	M11 Y76 Y78 F80 D95 C98 R99	M11-A93 HydrophobicContact SD-CB 4.33Å; Y76-A93 WeakPolarHBondContact CB-O 3.45Å; Y78-A93 PolarHBondContact O-N 2.66Å; F80-A93 HydrophobicContact CE1-CB 4.46Å; A93-D95 VanDerWaalsContact C-N 3.31Å; A93-D95 PolarHBondContact O-N 2.88Å; A93-C98 HydrophobicContact CB-CB 4.15Å; A93-R99 HydrophobicContact CB-CB 3.84Å
94	P	79	Confident	88.8	Confident	48 Å²	48	45.7 Å²	45.7	31%	0.312	21%	0.213	S	C	.	.	S	Bend	trans	-59.8	-39.7	179.6	22.2	-33.4	0	0	0	112.8	Y76 C98	Y76-P94 HydrophobicContact CD1-CB 4.19Å; Y76-P94 HydrophobicContact CD2-CB 4.34Å; Y76-P94 HydrophobicContact CE1-CB 3.89Å; Y76-P94 HydrophobicContact CE2-CB 4.04Å; Y76-P94 HydrophobicContact CE2-CG 4.43Å; Y76-P94 HydrophobicContact CG-CB 4.43Å; P94-C98 HydrophobicContact CG-CB 4.04Å
95	D	83.1	Confident	88.6	Confident	60 Å²	60	45.2 Å²	45.2	32%	0.321	21%	0.214	S	C	.	.	S	Bend	trans	-140	170.4	-178.1	62.4	72.9	0	0	0	111.6	Y78 A93 D97 C98 R99	Y78-D95 VanDerWaalsContact CE2-CA 3.43Å; Y78-D95 HydrophobicContact CE2-CB 4.48Å; Y78-D95 VanDerWaalsContact CG-C 3.49Å; A93-D95 VanDerWaalsContact C-N 3.31Å; A93-D95 PolarHBondContact O-N 2.88Å; D95-D97 WeakPolarHBondContact OD1-CA 3Å; D95-D97 WeakPolarHBondContact OD1-CB 3.24Å; D95-D97 PolarHBondContact OD1-N 3.2Å; D95-C98 WeakPolarHBondContact OD1-CB 3.39Å; D95-C98 PolarHBondContact OD1-N 3.21Å; D95-R99 PolarHBondContact O-N 3.39Å; D95-R99 VanDerWaalsContact O-N 3.11Å
96	N	81.9	Confident	89	Confident	68 Å²	68	42.4 Å²	42.4	36%	0.364	20%	0.199	S	C	.	.	H	α-helix	trans	-66.8	-37.1	-179.2	-175.6	46.8	0	0	0	112.7	Y78 R99 Q100	Y78-N96 HydrophobicContact CD1-CB 3.67Å; Y78-N96 HydrophobicContact CE1-CB 3.57Å; Y78-N96 HydrophobicContact CG-CB 4.41Å; N96-R99 WeakPolarHBondContact O-CB 3.33Å; N96-R99 PolarHBondContact O-N 3.37Å; N96-R99 PolarHBondContact OD1-NE 3.5Å; N96-R99 PolarHBondContact OD1-NH2 2.83Å; N96-Q100 VanDerWaalsContact O-CG 3.3Å; N96-Q100 WeakPolarHBondContact O-CG 3.4Å; N96-Q100 PolarHBondContact O-N 3.31Å
97	D	73.9	Confident	89.3	Confident	101 Å²	101	38.7 Å²	38.7	54%	0.54	18%	0.179	S	C	.	.	H	α-helix	trans	-67.1	-44.1	-178.2	-173.9	66.6	0	0	0	110.4	D95 R99 Q100 R101	D95-D97 WeakPolarHBondContact OD1-CA 3Å; D95-D97 WeakPolarHBondContact OD1-CB 3.24Å; D95-D97 PolarHBondContact OD1-N 3.2Å; D97-R99 VanDerWaalsContact C-N 3.34Å; D97-R99 PolarHBondContact O-N 3.08Å; D97-Q100 PolarHBondContact O-N 3.01Å; D97-R101 VanDerWaalsContact O-CB 3.26Å; D97-R101 WeakPolarHBondContact O-CB 3.4Å; D97-R101 PolarHBondContact O-N 3.45Å; D97-R101 IonicContact OD2-CZ 3.83Å; D97-R101 IonicContact OD2-NE 3.24Å; D97-R101 IonicContact OD2-NH2 2.66Å; D97-R101 PolarHBondContact OD2-NH2 3.23Å
98	C	78.7	Confident	89.3	Confident	11 Å²	11	36.7 Å²	36.7	7%	0.074	17%	0.174	C	C	.	.	H	α-helix	trans	-55.4	-48.8	170.8	-170.4	0	0	0	0	110.7	A93 P94 D95 Q100 R101 W102	A93-C98 HydrophobicContact CB-CB 4.15Å; P94-C98 HydrophobicContact CG-CB 4.04Å; D95-C98 WeakPolarHBondContact OD1-CB 3.39Å; D95-C98 PolarHBondContact OD1-N 3.21Å; C98-Q100 PolarHBondContact O-N 2.99Å; C98-R101 PolarHBondContact O-N 3.14Å; C98-W102 PolarHBondContact O-N 2.84Å
99	R	93.7	Very high	89.4	Confident	37 Å²	37	39.4 Å²	39.4	14%	0.14	19%	0.187	C	C	.	.	H	α-helix	trans	-55.7	-51.4	174.8	178.5	179.4	63.7	177.6	3.7	111.9	V65 P79 F80 A93 D95 N96 D97 R101 W102 V103	V65-R99 VanDerWaalsContact CG1-NH1 3.28Å; V65-R99 HydrophobicContact CG2-CG 4.37Å; P79-R99 VanDerWaalsContact O-CD 3.29Å; P79-R99 WeakPolarHBondContact O-CD 3.41Å; F80-R99 HydrophobicContact CB-CG 4.2Å; F80-R99 HydrophobicContact CD1-CG 4.04Å; F80-R99 HydrophobicContact CG-CG 4.47Å; A93-R99 HydrophobicContact CB-CB 3.84Å; D95-R99 PolarHBondContact O-N 3.39Å; D95-R99 VanDerWaalsContact O-N 3.11Å; N96-R99 WeakPolarHBondContact O-CB 3.33Å; N96-R99 PolarHBondContact O-N 3.37Å; N96-R99 PolarHBondContact OD1-NE 3.5Å; N96-R99 PolarHBondContact OD1-NH2 2.83Å; D97-R99 VanDerWaalsContact C-N 3.34Å; D97-R99 PolarHBondContact O-N 3.08Å; R99-R101 VanDerWaalsContact C-N 3.34Å; R99-R101 PolarHBondContact O-N 2.92Å; R99-W102 PolarHBondContact O-N 3.33Å; R99-V103 HydrophobicContact CG-CG2 4.28Å; R99-V103 WeakPolarHBondContact O-CB 3.06Å; R99-V103 VanDerWaalsContact O-CG2 3.32Å; R99-V103 WeakPolarHBondContact O-CG2 3.42Å; R99-V103 PolarHBondContact O-N 2.87Å
100	Q	86.1	Confident	89.4	Confident	44 Å²	44	39.2 Å²	39.2	21%	0.206	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-41.9	-177.3	-69.7	-62.2	-15.3	0	0	111.6	N96 D97 C98 W102 V103 R104	N96-Q100 VanDerWaalsContact O-CG 3.3Å; N96-Q100 WeakPolarHBondContact O-CG 3.4Å; N96-Q100 PolarHBondContact O-N 3.31Å; D97-Q100 PolarHBondContact O-N 3.01Å; C98-Q100 PolarHBondContact O-N 2.99Å; Q100-W102 PolarHBondContact O-N 2.65Å; Q100-V103 PolarHBondContact O-N 2.6Å; Q100-R104 WeakPolarHBondContact O-CB 3.38Å; Q100-R104 PolarHBondContact O-N 3.41Å
101	R	88.3	Confident	89.1	Confident	109 Å²	109	41.7 Å²	41.7	41%	0.411	20%	0.197	S	C	.	.	H	α-helix	trans	-61	-45	177.2	-161.6	-172	-43.1	124.4	1.1	111.9	L7 D97 C98 R99 A105	L7-R101 HydrophobicContact CD1-CG 4.41Å; L7-R101 HydrophobicContact CD2-CG 4.32Å; D97-R101 VanDerWaalsContact O-CB 3.26Å; D97-R101 WeakPolarHBondContact O-CB 3.4Å; D97-R101 PolarHBondContact O-N 3.45Å; D97-R101 IonicContact OD2-CZ 3.83Å; D97-R101 IonicContact OD2-NE 3.24Å; D97-R101 IonicContact OD2-NH2 2.66Å; D97-R101 PolarHBondContact OD2-NH2 3.23Å; C98-R101 PolarHBondContact O-N 3.14Å; R99-R101 VanDerWaalsContact C-N 3.34Å; R99-R101 PolarHBondContact O-N 2.92Å; R101-A105 VanDerWaalsContact O-CB 3.32Å; R101-A105 WeakPolarHBondContact O-CB 3.46Å; R101-A105 PolarHBondContact O-N 2.83Å
102	W	94.7	Very high	88.8	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.015	23%	0.233	C	C	.	.	H	α-helix	trans	-69.5	-43.8	178	-84	88.6	0	0	0	112.7	L7 M11 F31 L33 L38 F80 C98 R99 Q100 A105 L106	L7-W102 HydrophobicContact CB-CD2 4.38Å; L7-W102 HydrophobicContact CB-CH2 3.99Å; L7-W102 HydrophobicContact CB-CZ2 3.84Å; L7-W102 HydrophobicContact CB-CZ3 4.33Å; L7-W102 HydrophobicContact CD1-CD2 3.89Å; L7-W102 HydrophobicContact CD1-CE3 4.3Å; L7-W102 HydrophobicContact CD1-CG 3.98Å; M11-W102 HydrophobicContact CE-CD2 3.5Å; M11-W102 HydrophobicContact CE-CE3 3.74Å; M11-W102 HydrophobicContact CE-CG 4.13Å; M11-W102 HydrophobicContact CE-CH2 3.75Å; M11-W102 HydrophobicContact CE-CZ2 3.5Å; M11-W102 VanDerWaalsContact CE-CZ2 3.5Å; M11-W102 HydrophobicContact CE-CZ3 3.85Å; M11-W102 HydrophobicContact SD-CD2 4.13Å; M11-W102 HydrophobicContact SD-CG 4.13Å; F31-W102 HydrophobicContact CB-CH2 3.52Å; F31-W102 HydrophobicContact CB-CZ2 4.15Å; F31-W102 HydrophobicContact CB-CZ3 4.06Å; L33-W102 HydrophobicContact CB-CH2 4.25Å; L33-W102 HydrophobicContact CB-CZ3 3.78Å; L38-W102 HydrophobicContact CD1-CZ3 3.71Å; F80-W102 HydrophobicContact CE1-CB 4.32Å; F80-W102 HydrophobicContact CE2-CB 4.46Å; F80-W102 HydrophobicContact CZ-CB 3.93Å; F80-W102 HydrophobicContact CZ-CG 4.48Å; C98-W102 PolarHBondContact O-N 2.84Å; R99-W102 PolarHBondContact O-N 3.33Å; Q100-W102 PolarHBondContact O-N 2.65Å; W102-A105 PolarHBondContact O-N 3.39Å; W102-L106 WeakPolarHBondContact O-CB 3.46Å; W102-L106 WeakPolarHBondContact O-CG 3.47Å; W102-L106 PolarHBondContact O-N 3.08Å
103	V	94.7	Very high	88.8	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.03	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-46.1	175.8	171	0	0	0	0	110.3	V63 V65 F80 R99 Q100 L106 K107	V63-V103 HydrophobicContact CG1-CG1 4.43Å; V63-V103 HydrophobicContact CG1-CG2 4.46Å; V65-V103 HydrophobicContact CG2-CG2 4.27Å; F80-V103 HydrophobicContact CB-CG2 3.54Å; F80-V103 HydrophobicContact CD1-CG2 4.5Å; F80-V103 HydrophobicContact CD2-CG2 3.89Å; F80-V103 HydrophobicContact CG-CG2 3.75Å; R99-V103 HydrophobicContact CG-CG2 4.28Å; R99-V103 WeakPolarHBondContact O-CB 3.06Å; R99-V103 VanDerWaalsContact O-CG2 3.32Å; R99-V103 WeakPolarHBondContact O-CG2 3.42Å; R99-V103 PolarHBondContact O-N 2.87Å; Q100-V103 PolarHBondContact O-N 2.6Å; V103-L106 PolarHBondContact O-N 2.89Å; V103-K107 HydrophobicContact CG1-CD 4.26Å; V103-K107 HydrophobicContact CG1-CG 4.37Å; V103-K107 WeakPolarHBondContact O-CB 3.5Å; V103-K107 WeakPolarHBondContact O-CG 3.36Å; V103-K107 PolarHBondContact O-N 2.96Å
104	R	89.2	Confident	88.8	Confident	142 Å²	142	56.7 Å²	56.7	54%	0.536	28%	0.28	S	S	.	.	H	α-helix	trans	-58.1	-52.7	176.4	176.5	177.5	-60.5	163	2.2	111.8	Q100 L106 K107 E108 Y150	Q100-R104 WeakPolarHBondContact O-CB 3.38Å; Q100-R104 PolarHBondContact O-N 3.41Å; R104-L106 VanDerWaalsContact C-N 3.32Å; R104-L106 PolarHBondContact O-N 2.88Å; R104-K107 PolarHBondContact O-N 3.07Å; R104-E108 WeakPolarHBondContact O-CB 3.46Å; R104-E108 PolarHBondContact O-N 2.87Å; R104-Y150 HydrophobicContact CG-CE1 3.94Å
105	A	91.3	Very high	89.6	Confident	16 Å²	16	56.2 Å²	56.2	13%	0.132	28%	0.275	C	S	.	.	H	α-helix	trans	-61.5	-41.9	-178.6	0	0	0	0	0	111.8	I6 L7 L33 R101 W102 E108 E109	I6-A105 HydrophobicContact CG2-CB 4.36Å; L7-A105 HydrophobicContact CD1-CB 3.49Å; L7-A105 VanDerWaalsContact CD1-CB 3.49Å; L7-A105 HydrophobicContact CG-CB 4.23Å; L33-A105 HydrophobicContact CD2-CB 3.85Å; R101-A105 VanDerWaalsContact O-CB 3.32Å; R101-A105 WeakPolarHBondContact O-CB 3.46Å; R101-A105 PolarHBondContact O-N 2.83Å; W102-A105 PolarHBondContact O-N 3.39Å; A105-E108 PolarHBondContact O-N 3.27Å; A105-E109 WeakPolarHBondContact O-CG 3.43Å; A105-E109 PolarHBondContact O-N 2.86Å; A105-E109 VanDerWaalsContact O-N 3.14Å
106	L	95.5	Very high	90	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.4	-40.2	177.4	-76.6	167	0	0	0	112.7	L33 L38 L57 I60 V63 F80 V82 W102 V103 R104 E109 T110	L33-L106 HydrophobicContact CD1-CD2 3.65Å; L33-L106 HydrophobicContact CD2-CD2 3.99Å; L33-L106 HydrophobicContact CD2-CG 4.08Å; L33-L106 HydrophobicContact CG-CD2 4.44Å; L38-L106 HydrophobicContact CD2-CD2 4.26Å; L57-L106 HydrophobicContact CD2-CD2 4.18Å; I60-L106 HydrophobicContact CD1-CD2 4.28Å; V63-L106 HydrophobicContact CB-CB 4.26Å; V63-L106 HydrophobicContact CG1-CB 3.85Å; V63-L106 HydrophobicContact CG1-CD1 3.96Å; V63-L106 HydrophobicContact CG2-CB 4.02Å; F80-L106 HydrophobicContact CE2-CD1 3.89Å; V82-L106 HydrophobicContact CG2-CD1 3.94Å; W102-L106 WeakPolarHBondContact O-CB 3.46Å; W102-L106 WeakPolarHBondContact O-CG 3.47Å; W102-L106 PolarHBondContact O-N 3.08Å; V103-L106 PolarHBondContact O-N 2.89Å; R104-L106 VanDerWaalsContact C-N 3.32Å; R104-L106 PolarHBondContact O-N 2.88Å; L106-E109 PolarHBondContact O-N 2.76Å; L106-T110 WeakPolarHBondContact O-CB 3.41Å; L106-T110 WeakPolarHBondContact O-CG2 3.32Å; L106-T110 PolarHBondContact O-N 2.86Å; L106-T110 VanDerWaalsContact O-N 3.12Å; L106-T110 PolarHBondContact O-OG1 3.11Å
107	K	93.9	Very high	90.4	Very high	8 Å²	8	56.3 Å²	56.3	4%	0.035	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-45.1	174.5	-80.1	-169.1	175.1	-163.3	0	111.2	V63 E64 V103 R104 E109 T110 K111 D146 G149	V63-K107 HydrophobicContact CB-CG 4.38Å; V63-K107 WeakPolarHBondContact O-CE 3.23Å; E64-K107 VanDerWaalsContact OE2-CE 3.24Å; E64-K107 WeakPolarHBondContact OE2-CE 3.41Å; E64-K107 IonicContact OE2-NZ 2.66Å; E64-K107 PolarHBondContact OE2-NZ 3.47Å; V103-K107 HydrophobicContact CG1-CD 4.26Å; V103-K107 HydrophobicContact CG1-CG 4.37Å; V103-K107 WeakPolarHBondContact O-CB 3.5Å; V103-K107 WeakPolarHBondContact O-CG 3.36Å; V103-K107 PolarHBondContact O-N 2.96Å; R104-K107 PolarHBondContact O-N 3.07Å; K107-E109 VanDerWaalsContact C-N 3.34Å; K107-E109 PolarHBondContact O-N 3.44Å; K107-T110 CarbonylContact O-C 3.56Å; K107-T110 PolarHBondContact O-N 3.12Å; K107-T110 VanDerWaalsContact O-N 3.08Å; K107-T110 PolarHBondContact O-OG1 2.94Å; K107-K111 WeakPolarHBondContact O-CB 3.4Å; K107-K111 PolarHBondContact O-N 3.03Å; K107-D146 PolarHBondContact NZ-O 2.64Å; K107-G149 PolarHBondContact NZ-O 3.45Å
108	E	91.3	Very high	91.3	Very high	84 Å²	84	56 Å²	56	39%	0.393	28%	0.276	S	S	.	.	H	α-helix	trans	-58.2	-45.2	178.5	-177.4	58	-158.1	0	0	112	R104 A105 T110 K111	R104-E108 WeakPolarHBondContact O-CB 3.46Å; R104-E108 PolarHBondContact O-N 2.87Å; A105-E108 PolarHBondContact O-N 3.27Å; E108-T110 VanDerWaalsContact C-N 3.28Å; E108-T110 PolarHBondContact O-N 3.08Å; E108-K111 VanDerWaalsContact CD-NZ 3.31Å; E108-K111 WeakPolarHBondContact O-CG 3.22Å; E108-K111 WeakPolarHBondContact OE1-CE 3.43Å; E108-K111 IonicContact OE1-NZ 2.65Å; E108-K111 PolarHBondContact OE1-NZ 3.42Å; E108-K111 IonicContact OE2-NZ 3.33Å; E108-K111 PolarHBondContact OE2-NZ 3.14Å
109	E	92.4	Very high	92.1	Very high	73 Å²	73	56 Å²	56	34%	0.341	27%	0.274	S	S	.	.	H	α-helix	trans	-75.5	-13.4	178.9	-61.8	-66.4	133.7	0	0	113.8	I6 L57 A105 L106 K107	I6-E109 HydrophobicContact CD1-CG 3.51Å; I6-E109 WeakPolarHBondContact CD1-OE1 3.34Å; L57-E109 HydrophobicContact CD1-CB 3.72Å; L57-E109 HydrophobicContact CD1-CG 4.21Å; A105-E109 WeakPolarHBondContact O-CG 3.43Å; A105-E109 PolarHBondContact O-N 2.86Å; A105-E109 VanDerWaalsContact O-N 3.14Å; L106-E109 PolarHBondContact O-N 2.76Å; K107-E109 VanDerWaalsContact C-N 3.34Å; K107-E109 PolarHBondContact O-N 3.44Å
110	T	93.4	Very high	92	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-116.9	-0.1	-175.5	62	0	0	0	0	113.9	L57 I60 L106 K107 E108 H112 N113	L57-T110 HydrophobicContact CB-CG2 4.42Å; I60-T110 HydrophobicContact CB-CG2 3.8Å; I60-T110 HydrophobicContact CD1-CG2 4.07Å; I60-T110 HydrophobicContact CG1-CG2 4.47Å; I60-T110 HydrophobicContact CG2-CG2 3.95Å; L106-T110 WeakPolarHBondContact O-CB 3.41Å; L106-T110 WeakPolarHBondContact O-CG2 3.32Å; L106-T110 PolarHBondContact O-N 2.86Å; L106-T110 VanDerWaalsContact O-N 3.12Å; L106-T110 PolarHBondContact O-OG1 3.11Å; K107-T110 CarbonylContact O-C 3.56Å; K107-T110 PolarHBondContact O-N 3.12Å; K107-T110 VanDerWaalsContact O-N 3.08Å; K107-T110 PolarHBondContact O-OG1 2.94Å; E108-T110 VanDerWaalsContact C-N 3.28Å; E108-T110 PolarHBondContact O-N 3.08Å; T110-H112 PolarHBondContact O-N 3.21Å; T110-H112 VanDerWaalsContact O-N 3.07Å; T110-N113 WeakPolarHBondContact CB-ND2 3.32Å; T110-N113 VanDerWaalsContact O-CB 3.27Å; T110-N113 WeakPolarHBondContact O-CB 3.34Å; T110-N113 PolarHBondContact O-N 3.39Å
111	K	89.6	Confident	92.3	Very high	65 Å²	65	52.6 Å²	52.6	28%	0.283	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.5	-175.9	68.2	-171.3	179.5	-176.9	0	114.5	K107 E108	K107-K111 WeakPolarHBondContact O-CB 3.4Å; K107-K111 PolarHBondContact O-N 3.03Å; E108-K111 VanDerWaalsContact CD-NZ 3.31Å; E108-K111 WeakPolarHBondContact O-CG 3.22Å; E108-K111 WeakPolarHBondContact OE1-CE 3.43Å; E108-K111 IonicContact OE1-NZ 2.65Å; E108-K111 PolarHBondContact OE1-NZ 3.42Å; E108-K111 IonicContact OE2-NZ 3.33Å; E108-K111 PolarHBondContact OE2-NZ 3.14Å
112	H	89.1	Confident	92.5	Very high	165 Å²	165	47.9 Å²	47.9	76%	0.764	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	6.9	179	-58.4	-52.5	0	0	0	114.1	T110	T110-H112 PolarHBondContact O-N 3.21Å; T110-H112 VanDerWaalsContact O-N 3.07Å
113	N	93.3	Very high	92.3	Very high	42 Å²	42	48 Å²	48	23%	0.225	24%	0.244	C	C	.	.	S	Bend	trans	-75.7	172.6	177.1	-71	-7.6	0	0	0	112.3	L57 I60 T110 L115	L57-N113 PolarHBondContact O-ND2 2.93Å; I60-N113 PolarHBondContact O-ND2 3.07Å; T110-N113 WeakPolarHBondContact CB-ND2 3.32Å; T110-N113 VanDerWaalsContact O-CB 3.27Å; T110-N113 WeakPolarHBondContact O-CB 3.34Å; T110-N113 PolarHBondContact O-N 3.39Å; N113-L115 VanDerWaalsContact C-N 3.3Å; N113-L115 HydrophobicContact CB-CD2 4.08Å; N113-L115 HydrophobicContact CB-CG 4.32Å; N113-L115 PolarHBondContact O-N 2.87Å
114	S	92.6	Very high	91.9	Very high	108 Å²	108	49.8 Å²	49.8	76%	0.755	25%	0.251	S	S	*	.			trans	-73.6	85.9	164.6	-171.6	0	0	0	0	110.1
115	L	94.4	Very high	91.7	Very high	39 Å²	39	45.5 Å²	45.5	20%	0.204	24%	0.237	C	C	.	.			trans	-84.3	152.5	-175.5	-61.6	168.8	0	0	0	112.2	K61 N113 Y145 P147	K61-L115 VanDerWaalsContact O-CA 3.28Å; K61-L115 WeakPolarHBondContact O-CA 3.41Å; K61-L115 VanDerWaalsContact O-CD2 3.26Å; K61-L115 WeakPolarHBondContact O-CD2 3.32Å; N113-L115 VanDerWaalsContact C-N 3.3Å; N113-L115 HydrophobicContact CB-CD2 4.08Å; N113-L115 HydrophobicContact CB-CG 4.32Å; N113-L115 PolarHBondContact O-N 2.87Å; L115-Y145 HydrophobicContact CB-CD1 4.17Å; L115-Y145 HydrophobicContact CB-CE1 4Å; L115-Y145 HydrophobicContact CD1-CE1 3.87Å; L115-Y145 HydrophobicContact CD2-CE1 3.89Å; L115-Y145 HydrophobicContact CG-CE1 4.11Å; L115-P147 HydrophobicContact CD1-CB 3.51Å; L115-P147 HydrophobicContact CD1-CG 3.89Å
116	V	92.8	Very high	91.2	Very high	33 Å²	33	51.7 Å²	51.7	20%	0.2	26%	0.263	C	S	.	.			trans	-74.9	144.5	173	-70.3	0	0	0	0	110.8	K61 C62 F83 K118 Y145	K61-V116 HydrophobicContact CB-CG1 4.18Å; K61-V116 PolarHBondContact O-N 2.89Å; C62-V116 HydrophobicContact CB-CG2 3.59Å; F83-V116 HydrophobicContact CD1-CG1 4.21Å; F83-V116 HydrophobicContact CE1-CG1 3.89Å; V116-K118 VanDerWaalsContact C-N 3.3Å; V116-K118 WeakPolarHBondContact CG2-O 3.39Å; V116-K118 PolarHBondContact O-N 3.14Å; V116-Y145 WeakPolarHBondContact O-CB 3.39Å; V116-Y145 WeakPolarHBondContact O-CD1 3.4Å
117	P	90.3	Very high	90.7	Very high	97 Å²	97	53 Å²	53	63%	0.63	28%	0.277	S	S	*	.	S	Bend	trans	-73.7	-24.2	177.8	29.3	-35.4	0	0	0	112.7	Y145	P117-Y145 PolarHBondContact O-N 3.02Å
118	K	93.3	Very high	90.5	Very high	95 Å²	95	55.7 Å²	55.7	41%	0.413	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	148.5	178.9	-62.9	-175.3	-177.9	-179	0	111	V116 G141 Q143 L144	V116-K118 VanDerWaalsContact C-N 3.3Å; V116-K118 WeakPolarHBondContact CG2-O 3.39Å; V116-K118 PolarHBondContact O-N 3.14Å; K118-G141 VanDerWaalsContact CB-O 3.22Å; K118-G141 WeakPolarHBondContact CB-O 3.17Å; K118-G141 WeakPolarHBondContact CD-O 3.16Å; K118-Q143 CarbonylContact C-O 3.6Å; K118-Q143 WeakPolarHBondContact CA-O 3.35Å; K118-Q143 VanDerWaalsContact CB-O 3.25Å; K118-Q143 WeakPolarHBondContact CB-O 3.48Å; K118-L144 HydrophobicContact CG-CD2 4.12Å
119	F	93.6	Very high	90.5	Very high	9 Å²	9	51.7 Å²	51.7	4%	0.039	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	168.5	175.3	78.4	-74.6	0	0	0	111.5	C62 E64 P121 G141 C142 Q143 L144 Y145	C62-F119 VanDerWaalsContact SG-CB 3.58Å; E64-F119 HydrophobicContact CB-CD2 3.97Å; E64-F119 HydrophobicContact CB-CE2 3.7Å; E64-F119 HydrophobicContact CB-CZ 4.2Å; E64-F119 HydrophobicContact CG-CD2 4.11Å; E64-F119 HydrophobicContact CG-CE1 4.23Å; E64-F119 HydrophobicContact CG-CE2 3.34Å; E64-F119 HydrophobicContact CG-CZ 3.44Å; E64-F119 VanDerWaalsContact CG-CZ 3.44Å; F119-P121 HydrophobicContact CE2-CB 3.77Å; F119-P121 HydrophobicContact CZ-CB 4.17Å; F119-G141 VanDerWaalsContact C-CA 3.43Å; F119-G141 CarbonylContact O-C 3.56Å; F119-G141 VanDerWaalsContact O-CA 3.3Å; F119-G141 WeakPolarHBondContact O-CA 3.35Å; F119-C142 PolarHBondContact O-N 3.3Å; F119-Q143 HydrophobicContact CD1-CB 4.32Å; F119-Q143 WeakPolarHBondContact CD1-O 3.35Å; F119-Q143 HydrophobicContact CE1-CB 3.91Å; F119-Q143 HydrophobicContact CE1-CG 3.79Å; F119-Q143 HydrophobicContact CZ-CB 4.24Å; F119-Q143 HydrophobicContact CZ-CG 4.11Å; F119-Q143 PolarHBondContact N-O 2.97Å; F119-Q143 PolarHBondContact O-N 2.93Å; F119-L144 WeakPolarHBondContact CE1-O 3.27Å; F119-Y145 AromaticContact CD1-CD2 3.94Å; F119-Y145 HydrophobicContact CD1-CD2 3.94Å; F119-Y145 HydrophobicContact CD1-CG 4.41Å; F119-Y145 HydrophobicContact CE1-CD2 4.49Å; F119-Y145 HydrophobicContact CG-CD2 4.32Å
120	H	92.8	Very high	90.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.			trans	-101.2	117.1	174.2	-73.6	-62.7	0	0	0	109.4	Q81 N122 W129 C131 C132 Q134 A139 S140 C142	Q81-H120 PolarHBondContact NE2-O 3.24Å; H120-N122 VanDerWaalsContact C-N 3.26Å; H120-N122 PolarHBondContact O-N 2.87Å; H120-W129 HydrophobicContact CB-CD2 3.67Å; H120-W129 HydrophobicContact CB-CE3 3.37Å; H120-W129 HydrophobicContact CB-CG 4.4Å; H120-W129 HydrophobicContact CB-CH2 3.91Å; H120-W129 HydrophobicContact CB-CZ2 4.19Å; H120-W129 HydrophobicContact CB-CZ3 3.48Å; H120-W129 VanDerWaalsContact CB-CZ3 3.48Å; H120-W129 AromaticContact CD2-CD1 3.78Å; H120-W129 AromaticContact CD2-CD2 3.56Å; H120-W129 AromaticContact CD2-CE2 3.22Å; H120-W129 AromaticContact CD2-CG 3.92Å; H120-W129 AromaticContact CD2-CZ2 3.59Å; H120-W129 AromaticContact CD2-NE1 3.36Å; H120-W129 PolarHBondContact CD2-NE1 2.78Å; H120-W129 AromaticContact CE1-CD1 3.86Å; H120-W129 AromaticContact CG-CD2 3.47Å; H120-W129 VanDerWaalsContact CG-CD2 3.47Å; H120-W129 AromaticContact CG-CE2 3.66Å; H120-W129 AromaticContact CG-CE3 3.76Å; H120-W129 AromaticContact CG-CG 3.82Å; H120-W129 AromaticContact ND1-CG 3.93Å; H120-W129 AromaticContact NE2-CD1 3.59Å; H120-W129 AromaticContact NE2-CE2 3.84Å; H120-W129 AromaticContact NE2-NE1 3.46Å; H120-W129 PolarHBondContact NE2-NE1 2.81Å; H120-C131 PolarHBondContact ND1-SG 3.42Å; H120-C132 PolarHBondContact CE1-SG 2.98Å; H120-Q134 PolarHBondContact CE1-OE1 3.48Å; H120-Q134 PolarHBondContact NE2-OE1 3.43Å; H120-A139 PolarHBondContact NE2-O 2.97Å; H120-S140 PolarHBondContact CE1-O 3.42Å; H120-S140 VanDerWaalsContact CE1-O 3.23Å; H120-S140 PolarHBondContact NE2-O 2.94Å; H120-S140 VanDerWaalsContact NE2-O 3.16Å; H120-C142 PolarHBondContact ND1-N 2.74Å
121	P	91.9	Very high	90.2	Very high	11 Å²	11	55 Å²	55	7%	0.071	29%	0.286	C	S	.	.			trans	-77.6	-5.3	-173.4	31.7	-38.3	0	0	0	114.4	V66 L67 F119 C131 C142 Q143	V66-P121 CarbonylContact C-O 3.53Å; V66-P121 WeakPolarHBondContact CA-O 3.48Å; L67-P121 HydrophobicContact CD1-CB 4.03Å; L67-P121 HydrophobicContact CG-CB 4.24Å; L67-P121 PolarHBondContact N-O 2.71Å; F119-P121 HydrophobicContact CE2-CB 3.77Å; F119-P121 HydrophobicContact CZ-CB 4.17Å; P121-C131 HydrophobicContact CG-CB 3.8Å; P121-C142 VanDerWaalsContact CD-SG 3.57Å; P121-Q143 HydrophobicContact CG-CB 4.44Å; P121-Q143 VanDerWaalsContact CG-OE1 3.32Å
122	N	92.1	Very high	90.2	Very high	10 Å²	10	53.9 Å²	53.9	5%	0.053	29%	0.286	C	S	.	.	S	Bend	trans	-126.2	174.3	-174.7	-152.1	-44.5	0	0	0	110.8	L67 H120 W129 R130 C131	L67-N122 WeakPolarHBondContact O-CA 3.33Å; L67-N122 PolarHBondContact O-ND2 3.01Å; L67-N122 PolarHBondContact O-OD1 3.24Å; H120-N122 VanDerWaalsContact C-N 3.26Å; H120-N122 PolarHBondContact O-N 2.87Å; N122-W129 VanDerWaalsContact O-CE3 3.32Å; N122-W129 WeakPolarHBondContact O-CZ3 3.14Å; N122-R130 HydrophobicContact CB-CB 3.94Å; N122-R130 WeakPolarHBondContact OD1-CB 3.39Å; N122-C131 HydrophobicContact CB-CB 3.78Å
123	F	89.9	Confident	90.3	Very high	5 Å²	5	50.4 Å²	50.4	2%	0.022	27%	0.27	C	S	.	.			trans	-70.4	145.1	-176.8	-67.1	-69.7	0	0	0	113.5	V66 S68 P79 Y90 F92 M125 R130	V66-F123 HydrophobicContact CB-CE1 4.48Å; V66-F123 HydrophobicContact CB-CZ 4.49Å; V66-F123 HydrophobicContact CG1-CD1 3.91Å; V66-F123 HydrophobicContact CG1-CD2 4Å; V66-F123 HydrophobicContact CG1-CE1 3.8Å; V66-F123 HydrophobicContact CG1-CE2 3.92Å; V66-F123 HydrophobicContact CG1-CG 4Å; V66-F123 HydrophobicContact CG1-CZ 3.8Å; S68-F123 WeakPolarHBondContact OG-CD2 3.36Å; S68-F123 VanDerWaalsContact OG-CE2 3.31Å; S68-F123 WeakPolarHBondContact OG-CE2 3.31Å; P79-F123 HydrophobicContact CB-CE1 4.32Å; P79-F123 HydrophobicContact CB-CZ 3.73Å; P79-F123 HydrophobicContact CG-CE2 4.42Å; P79-F123 HydrophobicContact CG-CZ 3.88Å; Y90-F123 AromaticContact CD1-CD1 3.74Å; Y90-F123 HydrophobicContact CD1-CD1 3.74Å; Y90-F123 AromaticContact CD1-CE1 3.72Å; Y90-F123 HydrophobicContact CD1-CE1 3.72Å; Y90-F123 HydrophobicContact CD2-CD1 4.16Å; Y90-F123 HydrophobicContact CD2-CE1 4.45Å; Y90-F123 AromaticContact CE1-CD1 3.73Å; Y90-F123 HydrophobicContact CE1-CD1 3.73Å; Y90-F123 HydrophobicContact CE1-CE1 4.17Å; Y90-F123 HydrophobicContact CE2-CD1 4.13Å; Y90-F123 AromaticContact CG-CD1 3.95Å; Y90-F123 HydrophobicContact CG-CD1 3.95Å; Y90-F123 AromaticContact CG-CE1 3.87Å; Y90-F123 HydrophobicContact CG-CE1 3.87Å; Y90-F123 AromaticContact CZ-CD1 3.92Å; F92-F123 HydrophobicContact CE1-CE1 4.33Å; F92-F123 AromaticContact CE1-CZ 3.73Å; F92-F123 HydrophobicContact CE1-CZ 3.73Å; F92-F123 AromaticContact CZ-CE1 3.7Å; F92-F123 HydrophobicContact CZ-CE1 3.7Å; F92-F123 AromaticContact CZ-CZ 3.56Å; F92-F123 HydrophobicContact CZ-CZ 3.56Å; F123-M125 HydrophobicContact CB-CE 4.18Å; F123-M125 HydrophobicContact CB-CG 3.77Å; F123-M125 HydrophobicContact CB-SD 4.14Å; F123-R130 WeakPolarHBondContact O-CG 3.44Å; F123-R130 PolarHBondContact O-N 2.83Å; F123-R130 VanDerWaalsContact O-N 3.14Å
124	W	88.1	Confident	90.1	Very high	44 Å²	44	51.8 Å²	51.8	17%	0.167	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	113	157	176.8	-91	0	0	0	109.8	Y90 G127 K128 W129 Q134 N135 E136 K137	Y90-W124 PolarHBondContact OH-N 3.12Å; Y90-W124 VanDerWaalsContact OH-N 3.07Å; W124-G127 WeakPolarHBondContact CH2-O 3.17Å; W124-G127 WeakPolarHBondContact CZ2-O 3.33Å; W124-K128 VanDerWaalsContact CE3-C 3.43Å; W124-W129 HydrophobicContact CB-CD2 4.27Å; W124-W129 HydrophobicContact CB-CE3 4.02Å; W124-W129 HydrophobicContact CB-CH2 3.99Å; W124-W129 HydrophobicContact CB-CZ2 4.22Å; W124-W129 HydrophobicContact CB-CZ3 3.9Å; W124-W129 HydrophobicContact CE3-CB 4.45Å; W124-W129 AromaticContact CE3-CD1 3.46Å; W124-W129 VanDerWaalsContact CE3-CD1 3.46Å; W124-W129 AromaticContact CE3-CD2 3.75Å; W124-W129 HydrophobicContact CE3-CD2 3.75Å; W124-W129 AromaticContact CE3-CE2 3.61Å; W124-W129 AromaticContact CE3-CG 3.66Å; W124-W129 HydrophobicContact CE3-CG 3.66Å; W124-W129 HydrophobicContact CE3-CZ2 4.33Å; W124-W129 AromaticContact CE3-NE1 3.41Å; W124-W129 AromaticContact CZ3-CD1 3.51Å; W124-W129 HydrophobicContact CZ3-CG 4.06Å; W124-W129 AromaticContact CZ3-NE1 3.67Å; W124-Q134 WeakPolarHBondContact CZ3-O 3.39Å; W124-N135 WeakPolarHBondContact CH2-O 3.33Å; W124-E136 VanDerWaalsContact CH2-C 3.4Å; W124-E136 WeakPolarHBondContact CZ3-O 3.32Å; W124-K137 HydrophobicContact CD2-CB 3.92Å; W124-K137 HydrophobicContact CD2-CD 4.29Å; W124-K137 HydrophobicContact CD2-CG 3.69Å; W124-K137 HydrophobicContact CE3-CB 4.12Å; W124-K137 HydrophobicContact CE3-CG 4.17Å; W124-K137 HydrophobicContact CG-CD 4.21Å; W124-K137 HydrophobicContact CG-CG 3.91Å; W124-K137 VanDerWaalsContact CH2-CA 3.49Å; W124-K137 HydrophobicContact CH2-CB 3.83Å; W124-K137 HydrophobicContact CZ2-CB 3.63Å; W124-K137 HydrophobicContact CZ2-CG 4.23Å; W124-K137 HydrophobicContact CZ3-CB 4.08Å
125	M	83.6	Confident	90	Very high	51 Å²	51	52.4 Å²	52.4	25%	0.251	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	147.8	179.5	-63.1	-161.6	-63.3	0	0	110.8	A70 F123 G127 K128 R130	A70-M125 HydrophobicContact CB-CE 4.43Å; F123-M125 HydrophobicContact CB-CE 4.18Å; F123-M125 HydrophobicContact CB-CG 3.77Å; F123-M125 HydrophobicContact CB-SD 4.14Å; M125-G127 PolarHBondContact O-N 2.81Å; M125-K128 PolarHBondContact N-O 2.8Å; M125-K128 PolarHBondContact O-N 3.15Å; M125-R130 HydrophobicContact CE-CG 4.27Å
126	E	82.1	Confident	89.8	Confident	146 Å²	146	57.3 Å²	57.3	68%	0.682	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	16.9	175.2	-58.4	176.7	167.7	0	0	115.6
127	G	84.8	Confident	89.5	Confident	29 Å²	29	59.3 Å²	59.3	30%	0.299	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	14	-178.6	0	0	0	0	0	114.4	W124 M125 N135	W124-G127 WeakPolarHBondContact CH2-O 3.17Å; W124-G127 WeakPolarHBondContact CZ2-O 3.33Å; M125-G127 PolarHBondContact O-N 2.81Å; G127-N135 WeakPolarHBondContact O-CA 3.33Å
128	K	90.1	Very high	89.6	Confident	64 Å²	64	59.7 Å²	59.7	28%	0.278	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	159.6	177.3	63	-173.5	-175.6	166.3	0	113.6	W124 M125 Q133 Q134 N135	W124-K128 VanDerWaalsContact CE3-C 3.43Å; M125-K128 PolarHBondContact N-O 2.8Å; M125-K128 PolarHBondContact O-N 3.15Å; K128-Q133 VanDerWaalsContact CD-OE1 3.25Å; K128-Q134 CarbonylContact C-O 3.52Å; K128-Q134 WeakPolarHBondContact CA-O 3.34Å; K128-N135 WeakPolarHBondContact CB-OD1 3.45Å
129	W	91.2	Very high	89.5	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	126.7	170.2	-75.8	109.3	0	0	0	111	Y88 Y90 H120 N122 W124 C131 Q133 Q134 E136 K137	Y88-W129 AromaticContact CD1-CH2 3.84Å; Y88-W129 HydrophobicContact CD1-CH2 3.84Å; Y88-W129 HydrophobicContact CD2-CH2 4.03Å; Y88-W129 HydrophobicContact CD2-CZ2 4.14Å; Y88-W129 AromaticContact CE1-CH2 3.54Å; Y88-W129 HydrophobicContact CE1-CH2 3.54Å; Y88-W129 HydrophobicContact CE1-CZ2 4.03Å; Y88-W129 AromaticContact CE2-CH2 3.75Å; Y88-W129 HydrophobicContact CE2-CH2 3.75Å; Y88-W129 AromaticContact CE2-CZ2 3.53Å; Y88-W129 HydrophobicContact CE2-CZ2 3.53Å; Y88-W129 HydrophobicContact CG-CH2 4.07Å; Y88-W129 AromaticContact CZ-CH2 3.49Å; Y88-W129 VanDerWaalsContact CZ-CH2 3.49Å; Y88-W129 AromaticContact CZ-CZ2 3.47Å; Y88-W129 VanDerWaalsContact CZ-CZ2 3.47Å; Y90-W129 VanDerWaalsContact OH-CZ3 3.3Å; Y90-W129 WeakPolarHBondContact OH-CZ3 3.32Å; H120-W129 HydrophobicContact CB-CD2 3.67Å; H120-W129 HydrophobicContact CB-CE3 3.37Å; H120-W129 HydrophobicContact CB-CG 4.4Å; H120-W129 HydrophobicContact CB-CH2 3.91Å; H120-W129 HydrophobicContact CB-CZ2 4.19Å; H120-W129 HydrophobicContact CB-CZ3 3.48Å; H120-W129 VanDerWaalsContact CB-CZ3 3.48Å; H120-W129 AromaticContact CD2-CD1 3.78Å; H120-W129 AromaticContact CD2-CD2 3.56Å; H120-W129 AromaticContact CD2-CE2 3.22Å; H120-W129 AromaticContact CD2-CG 3.92Å; H120-W129 AromaticContact CD2-CZ2 3.59Å; H120-W129 AromaticContact CD2-NE1 3.36Å; H120-W129 PolarHBondContact CD2-NE1 2.78Å; H120-W129 AromaticContact CE1-CD1 3.86Å; H120-W129 AromaticContact CG-CD2 3.47Å; H120-W129 VanDerWaalsContact CG-CD2 3.47Å; H120-W129 AromaticContact CG-CE2 3.66Å; H120-W129 AromaticContact CG-CE3 3.76Å; H120-W129 AromaticContact CG-CG 3.82Å; H120-W129 AromaticContact ND1-CG 3.93Å; H120-W129 AromaticContact NE2-CD1 3.59Å; H120-W129 AromaticContact NE2-CE2 3.84Å; H120-W129 AromaticContact NE2-NE1 3.46Å; H120-W129 PolarHBondContact NE2-NE1 2.81Å; N122-W129 VanDerWaalsContact O-CE3 3.32Å; N122-W129 WeakPolarHBondContact O-CZ3 3.14Å; W124-W129 HydrophobicContact CB-CD2 4.27Å; W124-W129 HydrophobicContact CB-CE3 4.02Å; W124-W129 HydrophobicContact CB-CH2 3.99Å; W124-W129 HydrophobicContact CB-CZ2 4.22Å; W124-W129 HydrophobicContact CB-CZ3 3.9Å; W124-W129 HydrophobicContact CE3-CB 4.45Å; W124-W129 AromaticContact CE3-CD1 3.46Å; W124-W129 VanDerWaalsContact CE3-CD1 3.46Å; W124-W129 AromaticContact CE3-CD2 3.75Å; W124-W129 HydrophobicContact CE3-CD2 3.75Å; W124-W129 AromaticContact CE3-CE2 3.61Å; W124-W129 AromaticContact CE3-CG 3.66Å; W124-W129 HydrophobicContact CE3-CG 3.66Å; W124-W129 HydrophobicContact CE3-CZ2 4.33Å; W124-W129 AromaticContact CE3-NE1 3.41Å; W124-W129 AromaticContact CZ3-CD1 3.51Å; W124-W129 HydrophobicContact CZ3-CG 4.06Å; W124-W129 AromaticContact CZ3-NE1 3.67Å; W129-C131 VanDerWaalsContact C-N 3.28Å; W129-C131 PolarHBondContact O-N 3.09Å; W129-Q133 WeakPolarHBondContact O-CA 3.48Å; W129-Q133 PolarHBondContact O-N 3.13Å; W129-Q134 PolarHBondContact N-O 2.86Å; W129-E136 PolarHBondContact NE1-O 3.12Å; W129-K137 WeakPolarHBondContact CZ2-O 3.36Å; W129-K137 PolarHBondContact NE1-O 3Å
130	R	89.5	Confident	89.3	Confident	97 Å²	97	59.6 Å²	59.6	37%	0.366	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.4	-178.8	-70.8	-68	-61.9	-164	0.7	114.1	N122 F123 M125	N122-R130 HydrophobicContact CB-CB 3.94Å; N122-R130 WeakPolarHBondContact OD1-CB 3.39Å; F123-R130 WeakPolarHBondContact O-CG 3.44Å; F123-R130 PolarHBondContact O-N 2.83Å; F123-R130 VanDerWaalsContact O-N 3.14Å; M125-R130 HydrophobicContact CE-CG 4.27Å
131	C	88.3	Confident	89.3	Confident	44 Å²	44	60 Å²	60	30%	0.297	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-33.4	-178.9	47.1	0	0	0	0	114.1	H120 P121 N122 W129	H120-C131 PolarHBondContact ND1-SG 3.42Å; P121-C131 HydrophobicContact CG-CB 3.8Å; N122-C131 HydrophobicContact CB-CB 3.78Å; W129-C131 VanDerWaalsContact C-N 3.28Å; W129-C131 PolarHBondContact O-N 3.09Å
132	C	90.1	Very high	89.2	Confident	43 Å²	43	62.2 Å²	62.2	29%	0.291	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139	1.9	-171	62.2	0	0	0	0	114.2	H120 Q134 C142	H120-C132 PolarHBondContact CE1-SG 2.98Å; C132-Q134 PolarHBondContact O-N 3.42Å; C132-Q134 VanDerWaalsContact O-N 3.12Å; C132-Q134 VanDerWaalsContact SG-CG 3.56Å; C132-C142 HydrophobicContact CB-CB 3.71Å
133	Q	90.7	Very high	89.1	Confident	92 Å²	92	66 Å²	66	43%	0.43	34%	0.344	S	S	.	.			trans	59.5	16.8	-178.7	-50.8	-64.9	-41.1	0	0	114.9	K128 W129 N135	K128-Q133 VanDerWaalsContact CD-OE1 3.25Å; W129-Q133 WeakPolarHBondContact O-CA 3.48Å; W129-Q133 PolarHBondContact O-N 3.13Å; Q133-N135 PolarHBondContact O-N 2.84Å; Q133-N135 PolarHBondContact O-OD1 2.77Å; Q133-N135 VanDerWaalsContact O-OD1 3.09Å
134	Q	89.9	Confident	89.1	Confident	71 Å²	71	71.9 Å²	71.9	33%	0.332	38%	0.375	S	S	.	.			trans	-63.9	135.7	172.4	-74.3	178.4	-7.3	0	0	110.8	H120 W124 K128 W129 C132 A139 S140	H120-Q134 PolarHBondContact CE1-OE1 3.48Å; H120-Q134 PolarHBondContact NE2-OE1 3.43Å; W124-Q134 WeakPolarHBondContact CZ3-O 3.39Å; K128-Q134 CarbonylContact C-O 3.52Å; K128-Q134 WeakPolarHBondContact CA-O 3.34Å; W129-Q134 PolarHBondContact N-O 2.86Å; C132-Q134 PolarHBondContact O-N 3.42Å; C132-Q134 VanDerWaalsContact O-N 3.12Å; C132-Q134 VanDerWaalsContact SG-CG 3.56Å; Q134-A139 HydrophobicContact CB-CB 4.37Å; Q134-S140 PolarHBondContact OE1-O 2.97Å
135	N	91.3	Very high	89.2	Confident	121 Å²	121	70.7 Å²	70.7	65%	0.647	37%	0.371	S	S	*	.	S	Bend	trans	-97.7	8.5	-173.2	-63.2	-21.4	0	0	0	113.9	W124 G127 K128 Q133	W124-N135 WeakPolarHBondContact CH2-O 3.33Å; G127-N135 WeakPolarHBondContact O-CA 3.33Å; K128-N135 WeakPolarHBondContact CB-OD1 3.45Å; Q133-N135 PolarHBondContact O-N 2.84Å; Q133-N135 PolarHBondContact O-OD1 2.77Å; Q133-N135 VanDerWaalsContact O-OD1 3.09Å
136	E	89.8	Confident	89.3	Confident	142 Å²	142	72 Å²	72	66%	0.664	38%	0.379	S	S	*	.			trans	-115.4	124.3	175.4	-74.8	-179.7	-163.1	0	0	110.5	W124 W129 L138 A139	W124-E136 VanDerWaalsContact CH2-C 3.4Å; W124-E136 WeakPolarHBondContact CZ3-O 3.32Å; W129-E136 PolarHBondContact NE1-O 3.12Å; E136-L138 PolarHBondContact O-N 2.85Å; E136-A139 HydrophobicContact CB-CB 3.99Å; E136-A139 VanDerWaalsContact O-CB 3.3Å; E136-A139 WeakPolarHBondContact O-CB 3.45Å; E136-A139 PolarHBondContact O-N 3.33Å; E136-A139 VanDerWaalsContact O-N 3.15Å
137	K	87.3	Confident	89.1	Confident	74 Å²	74	66.9 Å²	66.9	32%	0.322	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-28.9	-172.8	-169.2	174.5	-180	-170.7	0	113.4	W124 W129	W124-K137 HydrophobicContact CD2-CB 3.92Å; W124-K137 HydrophobicContact CD2-CD 4.29Å; W124-K137 HydrophobicContact CD2-CG 3.69Å; W124-K137 HydrophobicContact CE3-CB 4.12Å; W124-K137 HydrophobicContact CE3-CG 4.17Å; W124-K137 HydrophobicContact CG-CD 4.21Å; W124-K137 HydrophobicContact CG-CG 3.91Å; W124-K137 VanDerWaalsContact CH2-CA 3.49Å; W124-K137 HydrophobicContact CH2-CB 3.83Å; W124-K137 HydrophobicContact CZ2-CB 3.63Å; W124-K137 HydrophobicContact CZ2-CG 4.23Å; W124-K137 HydrophobicContact CZ3-CB 4.08Å; W129-K137 WeakPolarHBondContact CZ2-O 3.36Å; W129-K137 PolarHBondContact NE1-O 3Å
138	L	90.9	Very high	88.7	Confident	106 Å²	106	72.3 Å²	72.3	56%	0.555	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	13.9	-179.8	-60.1	-179.5	0	0	0	112.6	F83 N86 Y88 E136	F83-L138 HydrophobicContact CE2-CD2 4.47Å; N86-L138 HydrophobicContact CB-CD1 4.15Å; N86-L138 HydrophobicContact CB-CD2 3.95Å; N86-L138 WeakPolarHBondContact O-CD2 3.48Å; Y88-L138 HydrophobicContact CE2-CD2 4.47Å; E136-L138 PolarHBondContact O-N 2.85Å
139	A	90.8	Very high	87.3	Confident	19 Å²	19	69.9 Å²	69.9	16%	0.157	37%	0.369	C	S	.	.	S	Bend	trans	-61.7	149.5	173.9	0	0	0	0	0	111.4	H120 Q134 E136	H120-A139 PolarHBondContact NE2-O 2.97Å; Q134-A139 HydrophobicContact CB-CB 4.37Å; E136-A139 HydrophobicContact CB-CB 3.99Å; E136-A139 VanDerWaalsContact O-CB 3.3Å; E136-A139 WeakPolarHBondContact O-CB 3.45Å; E136-A139 PolarHBondContact O-N 3.33Å; E136-A139 VanDerWaalsContact O-N 3.15Å
140	S	91.3	Very high	85.5	Confident	82 Å²	82	76.5 Å²	76.5	57%	0.573	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-55.9	139.6	178.2	-169.5	0	0	0	0	111.4	H120 Q134	H120-S140 PolarHBondContact CE1-O 3.42Å; H120-S140 VanDerWaalsContact CE1-O 3.23Å; H120-S140 PolarHBondContact NE2-O 2.94Å; H120-S140 VanDerWaalsContact NE2-O 3.16Å; Q134-S140 PolarHBondContact OE1-O 2.97Å
141	G	91.8	Very high	83.1	Confident	8 Å²	8	74.4 Å²	74.4	8%	0.082	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-56.2	152.9	-178.6	0	0	0	0	0	113.8	K118 F119	K118-G141 VanDerWaalsContact CB-O 3.22Å; K118-G141 WeakPolarHBondContact CB-O 3.17Å; K118-G141 WeakPolarHBondContact CD-O 3.16Å; F119-G141 VanDerWaalsContact C-CA 3.43Å; F119-G141 CarbonylContact O-C 3.56Å; F119-G141 VanDerWaalsContact O-CA 3.3Å; F119-G141 WeakPolarHBondContact O-CA 3.35Å
142	C	89.9	Confident	80.5	Confident	58 Å²	58	77.4 Å²	77.4	39%	0.392	42%	0.42	S	S	.	.	S	Bend	trans	-93.3	-8.3	176.6	66.9	0	0	0	0	114.2	F119 H120 P121 C132	F119-C142 PolarHBondContact O-N 3.3Å; H120-C142 PolarHBondContact ND1-N 2.74Å; P121-C142 VanDerWaalsContact CD-SG 3.57Å; C132-C142 HydrophobicContact CB-CB 3.71Å
143	Q	90.1	Very high	77.9	Confident	90 Å²	90	82 Å²	82	42%	0.421	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.1	179	-173.4	170.2	-11.6	0	0	110.5	K118 F119 P121 Y145	K118-Q143 CarbonylContact C-O 3.6Å; K118-Q143 WeakPolarHBondContact CA-O 3.35Å; K118-Q143 VanDerWaalsContact CB-O 3.25Å; K118-Q143 WeakPolarHBondContact CB-O 3.48Å; F119-Q143 HydrophobicContact CD1-CB 4.32Å; F119-Q143 WeakPolarHBondContact CD1-O 3.35Å; F119-Q143 HydrophobicContact CE1-CB 3.91Å; F119-Q143 HydrophobicContact CE1-CG 3.79Å; F119-Q143 HydrophobicContact CZ-CB 4.24Å; F119-Q143 HydrophobicContact CZ-CG 4.11Å; F119-Q143 PolarHBondContact N-O 2.97Å; F119-Q143 PolarHBondContact O-N 2.93Å; P121-Q143 HydrophobicContact CG-CB 4.44Å; P121-Q143 VanDerWaalsContact CG-OE1 3.32Å; Q143-Y145 PolarHBondContact O-N 3.09Å
144	L	90.4	Very high	75	Confident	128 Å²	128	85.1 Å²	85.1	67%	0.67	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	132.7	175.6	-70.1	171.1	0	0	0	110.3	K118 F119	K118-L144 HydrophobicContact CG-CD2 4.12Å; F119-L144 WeakPolarHBondContact CE1-O 3.27Å
145	Y	89.8	Confident	72.2	Confident	20 Å²	20	87.7 Å²	87.7	8%	0.078	47%	0.47	C	S	.	.			trans	-88.2	121.1	175.7	-178.7	-115.6	0	0	0	109.4	C62 V63 L115 V116 P117 F119 Q143 P147	C62-Y145 HydrophobicContact CB-CD2 4.18Å; C62-Y145 HydrophobicContact CB-CE1 4.37Å; C62-Y145 HydrophobicContact CB-CE2 3.97Å; C62-Y145 HydrophobicContact CB-CG 4.47Å; C62-Y145 VanDerWaalsContact SG-CD2 3.58Å; C62-Y145 WeakPolarHBondContact SG-CE2 3.45Å; V63-Y145 PolarHBondContact N-OH 3.4Å; V63-Y145 WeakPolarHBondContact O-CE2 3.41Å; L115-Y145 HydrophobicContact CB-CD1 4.17Å; L115-Y145 HydrophobicContact CB-CE1 4Å; L115-Y145 HydrophobicContact CD1-CE1 3.87Å; L115-Y145 HydrophobicContact CD2-CE1 3.89Å; L115-Y145 HydrophobicContact CG-CE1 4.11Å; V116-Y145 WeakPolarHBondContact O-CB 3.39Å; V116-Y145 WeakPolarHBondContact O-CD1 3.4Å; P117-Y145 PolarHBondContact O-N 3.02Å; F119-Y145 AromaticContact CD1-CD2 3.94Å; F119-Y145 HydrophobicContact CD1-CD2 3.94Å; F119-Y145 HydrophobicContact CD1-CG 4.41Å; F119-Y145 HydrophobicContact CE1-CD2 4.49Å; F119-Y145 HydrophobicContact CG-CD2 4.32Å; Q143-Y145 PolarHBondContact O-N 3.09Å; Y145-P147 HydrophobicContact CE1-CB 4.04Å
146	D	85.7	Confident	69.6	Low	79 Å²	79	86.2 Å²	86.2	42%	0.422	46%	0.462	S	S	.	.			trans	-109.2	105.8	175.7	-175.7	-4.3	0	0	0	109	K107 E148 G149	K107-D146 PolarHBondContact NZ-O 2.64Å; D146-E148 VanDerWaalsContact C-N 3.25Å; D146-E148 PolarHBondContact O-N 3.32Å; D146-E148 PolarHBondContact OD1-N 2.93Å; D146-G149 PolarHBondContact OD1-N 2.85Å; D146-G149 WeakPolarHBondContact OD2-CA 3.48Å; D146-G149 PolarHBondContact OD2-N 3.08Å
147	P	77.8	Confident	67.3	Low	38 Å²	38	82.4 Å²	82.4	25%	0.247	45%	0.449	C	S	.	.	S	Bend	trans	-70.8	-20.7	179.6	26.6	-30.9	0	0	0	113.6	L115 Y145	L115-P147 HydrophobicContact CD1-CB 3.51Å; L115-P147 HydrophobicContact CD1-CG 3.89Å; Y145-P147 HydrophobicContact CE1-CB 4.04Å
148	E	76.1	Confident	65.3	Low	143 Å²	143	87.3 Å²	87.3	67%	0.668	47%	0.473	S	S	*	.	S	Bend	trans	-101.6	-15.3	179.1	-59.1	-170.8	171	0	0	111.8	D146 Y150	D146-E148 VanDerWaalsContact C-N 3.25Å; D146-E148 PolarHBondContact O-N 3.32Å; D146-E148 PolarHBondContact OD1-N 2.93Å; E148-Y150 WeakPolarHBondContact O-CD2 3.44Å; E148-Y150 PolarHBondContact O-N 3.3Å; E148-Y150 VanDerWaalsContact O-N 3.12Å
149	G	61.3	Low	63.1	Low	13 Å²	13	84.1 Å²	84.1	13%	0.134	46%	0.456	C	S	.	.			trans	-66.9	104.1	178.5	0	0	0	0	0	113	K107 D146	K107-G149 PolarHBondContact NZ-O 3.45Å; D146-G149 PolarHBondContact OD1-N 2.85Å; D146-G149 WeakPolarHBondContact OD2-CA 3.48Å; D146-G149 PolarHBondContact OD2-N 3.08Å
150	Y	52.3	Low	61.2	Low	138 Å²	138	85 Å²	85	54%	0.541	46%	0.46	S	S	.	.			trans	-71.3	131.9	163.8	-56.7	-68.9	0	0	0	109.3	R104 E148 S152	R104-Y150 HydrophobicContact CG-CE1 3.94Å; E148-Y150 WeakPolarHBondContact O-CD2 3.44Å; E148-Y150 PolarHBondContact O-N 3.3Å; E148-Y150 VanDerWaalsContact O-N 3.12Å; Y150-S152 PolarHBondContact O-N 2.93Å
151	A	39.3	Very low	59.2	Low	53 Å²	53	87.6 Å²	87.6	44%	0.438	47%	0.468	S	S	.	.	S	Bend	trans	-61.2	89.7	-175.8	0	0	0	0	0	112.5
152	S	35.3	Very low	57.1	Low	107 Å²	107	93 Å²	93	75%	0.748	50%	0.502	S	S	*	.			trans	168.9	110.5	143.7	-173.2	0	0	0	0	108.2	Y150	Y150-S152 PolarHBondContact O-N 2.93Å
153	K	33.7	Very low	54.9	Low	141 Å²	141	99.2 Å²	99.2	61%	0.613	53%	0.525	S	S	*	.			trans	-131.5	112	158.4	-74.7	-169.7	-175.4	177.4	0	108.9	Q183	K153-Q183 VanDerWaalsContact CE-OE1 3.29Å
154	K	30	Very low	52.6	Low	157 Å²	157	100.1 Å²	100.1	68%	0.683	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-61.8	142.7	144.6	-81.7	-177.2	173.6	-177.2	0	107
155	P	31.9	Very low	50.4	Low	125 Å²	125	96.8 Å²	96.8	81%	0.812	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-64.8	139	177.1	25.1	-30.7	0	0	0	110.7
156	L	36.4	Very low	48	Very low	90 Å²	90	104.1 Å²	104.1	47%	0.471	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-74	154.8	174	-74.8	164	0	0	0	110.8	W206	L156-W206 HydrophobicContact CB-CZ2 4.33Å; L156-W206 HydrophobicContact CD1-CH2 4.24Å; L156-W206 HydrophobicContact CD1-CZ2 4.12Å; L156-W206 HydrophobicContact CD2-CZ2 4.4Å
157	P	40.9	Very low	46.1	Very low	62 Å²	62	103.8 Å²	103.8	40%	0.403	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-59	156.1	172.9	-18.5	30.4	0	0	0	112.2	D205	P157-D205 HydrophobicContact CG-CB 4.43Å
158	Q	45.2	Very low	44.4	Very low	176 Å²	176	109.6 Å²	109.6	82%	0.822	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-66.5	144.5	175.5	-66.7	-178.6	-9.8	0	0	110.8
159	L	44.6	Very low	43.1	Very low	40 Å²	40	104 Å²	104	21%	0.209	58%	0.582	C	S	.	*	P	Polyproline II helix	trans	-73	146.3	176	-78	168.6	0	0	0	109.8	R184 W206 F218	L159-R184 VanDerWaalsContact CD1-NH1 3.34Å; L159-W206 HydrophobicContact CD2-CB 4.15Å; L159-W206 HydrophobicContact CD2-CD2 3.66Å; L159-W206 HydrophobicContact CD2-CE3 4.07Å; L159-W206 HydrophobicContact CD2-CG 3.68Å; L159-F218 HydrophobicContact CD1-CD2 4.47Å; L159-F218 HydrophobicContact CD2-CB 4.18Å; L159-F218 HydrophobicContact CD2-CD1 4.11Å; L159-F218 HydrophobicContact CD2-CD2 4.25Å; L159-F218 HydrophobicContact CD2-CG 3.92Å
160	P	51	Low	42.6	Very low	37 Å²	37	105.8 Å²	105.8	24%	0.24	60%	0.6	C	S	.	*	P	Polyproline II helix	trans	-64	148.4	168.7	24.7	-30.9	0	0	0	111.7	H203	P160-H203 HydrophobicContact CB-CB 4.47Å; P160-H203 HydrophobicContact CG-CB 3.93Å
161	D	49.8	Very low	43	Very low	137 Å²	137	105.7 Å²	105.7	73%	0.733	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-62.5	137.1	175.9	-78.9	-41.5	0	0	0	111.2	E163	D161-E163 PolarHBondContact O-N 2.84Å
162	P	48.1	Very low	44.6	Very low	122 Å²	122	106.4 Å²	106.4	79%	0.792	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	0.8	-174.3	23.3	-31.3	0	0	0	115.4
163	E	43.2	Very low	46.7	Very low	187 Å²	187	104 Å²	104	87%	0.874	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	7	-175.5	-69.3	-165.1	163.3	0	0	115.5	D161 G165	D161-E163 PolarHBondContact O-N 2.84Å; E163-G165 PolarHBondContact O-N 2.66Å
164	V	42	Very low	48.9	Very low	109 Å²	109	97.2 Å²	97.2	66%	0.661	55%	0.552	S	S	*	*	S	Bend	trans	-90	91.1	179.1	-169.4	0	0	0	0	111.7
165	G	43.5	Very low	51.1	Low	58 Å²	58	92.1 Å²	92.1	60%	0.598	53%	0.531	S	S	*	.			trans	41.3	108.2	149.7	0	0	0	0	0	119	E163 S167	E163-G165 PolarHBondContact O-N 2.66Å; G165-S167 PolarHBondContact O-N 2.81Å
166	L	40	Very low	53.3	Low	174 Å²	174	86.1 Å²	86.1	91%	0.911	49%	0.493	S	S	*	.			trans	-57.7	94.5	163.7	-72.1	158.1	0	0	0	110.8
167	S	45.2	Very low	54.1	Low	72 Å²	72	84.4 Å²	84.4	50%	0.503	48%	0.483	S	S	.	.			trans	-85.2	109.7	157.9	62.6	0	0	0	0	108	G165 S169	G165-S167 PolarHBondContact O-N 2.81Å; S167-S169 PolarHBondContact O-N 2.82Å
168	D	42.5	Very low	54.9	Low	160 Å²	160	85.7 Å²	85.7	86%	0.856	48%	0.484	S	S	*	.			trans	-62.6	89.2	177.5	-172.8	21	0	0	0	110.6	G170	D168-G170 VanDerWaalsContact C-N 3.27Å; D168-G170 PolarHBondContact O-N 2.83Å; D168-G170 VanDerWaalsContact O-N 3.12Å
169	S	48.3	Very low	55.9	Low	26 Å²	26	82.3 Å²	82.3	18%	0.182	47%	0.472	C	S	.	.			trans	-82.6	75.4	171.4	56.8	0	0	0	0	109.1	S167 D171 I199	S167-S169 PolarHBondContact O-N 2.82Å; S169-D171 PolarHBondContact O-N 3.25Å; S169-I199 PolarHBondContact OG-O 3.31Å
170	G	51	Low	57.3	Low	50 Å²	50	80.9 Å²	80.9	52%	0.515	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.3	133.8	-176.5	0	0	0	0	0	114.5	D168 Q172	D168-G170 VanDerWaalsContact C-N 3.27Å; D168-G170 PolarHBondContact O-N 2.83Å; D168-G170 VanDerWaalsContact O-N 3.12Å; G170-Q172 PolarHBondContact O-N 3.22Å
171	D	61.5	Low	58.7	Low	137 Å²	137	84.6 Å²	84.6	73%	0.733	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.7	18	166.7	-108.5	4.1	0	0	0	118.6	S169	S169-D171 PolarHBondContact O-N 3.25Å
172	Q	73.1	Confident	60.1	Low	68 Å²	68	80.5 Å²	80.5	32%	0.318	47%	0.467	S	S	.	.			trans	-75.5	133	178.3	-74	-179	5.1	0	0	111.3	G170 L198	G170-Q172 PolarHBondContact O-N 3.22Å; Q172-L198 HydrophobicContact CB-CB 4.19Å; Q172-L198 HydrophobicContact CB-CD2 4.42Å; Q172-L198 PolarHBondContact O-N 2.88Å
173	M	79.4	Confident	60.7	Low	55 Å²	55	79 Å²	79	27%	0.271	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	140.9	178.4	-63.8	-65.6	-66.3	0	0	110.8	E195 Y196 R197 K227	M173-E195 HydrophobicContact CE-CB 3.7Å; M173-Y196 CarbonylContact C-O 3.59Å; M173-Y196 WeakPolarHBondContact CA-O 3.25Å; M173-R197 HydrophobicContact SD-CB 3.99Å; M173-R197 HydrophobicContact SD-CG 4.48Å; M173-K227 HydrophobicContact CB-CB 4.2Å; M173-K227 HydrophobicContact CB-CD 4.07Å; M173-K227 VanDerWaalsContact O-CB 3.3Å; M173-K227 WeakPolarHBondContact O-CB 3.48Å; M173-K227 PolarHBondContact O-N 3.24Å
174	V	78.6	Confident	62	Low	0 Å²	0	76.4 Å²	76.4	0%	0	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	155.4	170.9	-62.2	0	0	0	0	110.2	E195 Y196 L198 W207 V209 V224 A225 E226	V174-E195 CarbonylContact O-C 3.56Å; V174-E195 VanDerWaalsContact O-CA 3.31Å; V174-E195 WeakPolarHBondContact O-CA 3.31Å; V174-Y196 WeakPolarHBondContact CG2-O 3.41Å; V174-Y196 PolarHBondContact N-O 3.46Å; V174-Y196 PolarHBondContact O-N 3.26Å; V174-L198 HydrophobicContact CG1-CB 4.1Å; V174-L198 HydrophobicContact CG1-CD1 4.3Å; V174-L198 HydrophobicContact CG1-CD2 4.32Å; V174-L198 HydrophobicContact CG1-CG 4.49Å; V174-W207 HydrophobicContact CG1-CE3 4.45Å; V174-W207 HydrophobicContact CG1-CZ3 4.13Å; V174-V209 HydrophobicContact CG2-CG1 3.87Å; V174-V224 HydrophobicContact CB-CB 4.16Å; V174-V224 HydrophobicContact CG2-CB 4.11Å; V174-V224 HydrophobicContact CG2-CG1 4.27Å; V174-A225 CarbonylContact C-O 3.48Å; V174-A225 WeakPolarHBondContact CA-O 3.49Å; V174-E226 HydrophobicContact CG1-CG 3.99Å
175	I	77.3	Confident	63.6	Low	49 Å²	49	79.4 Å²	79.4	25%	0.251	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134	174.9	-56.7	169.9	0	0	0	107.9	L177 Q194 E195 V224 A225 K227	I175-L177 PolarHBondContact O-N 3.28Å; I175-Q194 WeakPolarHBondContact CA-O 3.43Å; I175-E195 HydrophobicContact CG1-CG 4.28Å; I175-V224 CarbonylContact O-C 3.59Å; I175-V224 WeakPolarHBondContact O-CA 3.35Å; I175-A225 PolarHBondContact N-O 2.63Å; I175-A225 PolarHBondContact O-N 2.69Å; I175-K227 HydrophobicContact CD1-CB 4.37Å; I175-K227 HydrophobicContact CD1-CG 4.09Å; I175-K227 HydrophobicContact CG1-CB 4.4Å; I175-K227 HydrophobicContact CG1-CG 4.47Å
176	A	77.5	Confident	65.3	Low	0 Å²	0	81.6 Å²	81.6	0%	0	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	125.2	172.2	0	0	0	0	0	110.9	L190 Q191 D193 Q194 Y196 F223	A176-L190 HydrophobicContact CB-CB 3.96Å; A176-L190 HydrophobicContact CB-CD1 4.38Å; A176-L190 HydrophobicContact CB-CD2 4.28Å; A176-L190 HydrophobicContact CB-CG 4.46Å; A176-Q191 WeakPolarHBondContact CB-O 3.31Å; A176-D193 PolarHBondContact O-N 2.8Å; A176-Q194 PolarHBondContact N-O 3.34Å; A176-Y196 HydrophobicContact CB-CD2 4.44Å; A176-Y196 HydrophobicContact CB-CE2 3.87Å; A176-F223 WeakPolarHBondContact CA-O 3.42Å
177	L	52.9	Low	67.4	Low	53 Å²	53	74 Å²	74	28%	0.277	40%	0.402	S	S	.	.	S	Bend	trans	-79.9	-23.4	178.1	-62.7	179.4	0	0	0	112.6	I175 K192 F223 A225	I175-L177 PolarHBondContact O-N 3.28Å; L177-K192 WeakPolarHBondContact O-CE 3.45Å; L177-F223 PolarHBondContact N-O 2.72Å; L177-A225 HydrophobicContact CD1-CB 4.16Å; L177-A225 HydrophobicContact CD2-CB 3.74Å; L177-A225 HydrophobicContact CG-CB 4.04Å
178	Q	57.5	Low	69.5	Low	89 Å²	89	70.9 Å²	70.9	42%	0.416	38%	0.38	S	S	.	.	S	Bend	trans	-157.6	166.8	179.6	63.9	-171.6	12.9	0	0	110.3	F223	Q178-F223 HydrophobicContact CG-CB 4.48Å; Q178-F223 HydrophobicContact CG-CD2 3.59Å; Q178-F223 HydrophobicContact CG-CE2 3.98Å; Q178-F223 HydrophobicContact CG-CG 4.02Å; Q178-F223 VanDerWaalsContact NE2-CD2 3.28Å
179	D	66.8	Low	71.7	Confident	105 Å²	105	66.5 Å²	66.5	56%	0.561	36%	0.36	S	S	*	.			trans	-66.6	141.8	174.9	-59.7	-34.2	0	0	0	110.7	L190 K192	D179-L190 CarbonylContact C-O 3.44Å; D179-L190 WeakPolarHBondContact CA-O 2.82Å; D179-K192 WeakPolarHBondContact OD1-CB 3.39Å; D179-K192 PolarHBondContact OD1-N 3.03Å
180	Y	75.3	Confident	73.3	Confident	11 Å²	11	65.7 Å²	65.7	4%	0.043	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-129	120.9	172.6	-178.1	-117.5	0	0	0	109.7	Q183 D187 L188 P189 L190 P220 F223	Y180-Q183 HydrophobicContact CE2-CG 4.5Å; Y180-D187 HydrophobicContact CE1-CB 4Å; Y180-D187 PolarHBondContact OH-OD2 2.85Å; Y180-L188 WeakPolarHBondContact CD1-O 3.39Å; Y180-P189 WeakPolarHBondContact O-CA 3.21Å; Y180-L190 PolarHBondContact N-O 2.86Å; Y180-L190 PolarHBondContact O-N 2.82Å; Y180-P220 HydrophobicContact CD2-CG 4.12Å; Y180-P220 HydrophobicContact CE2-CG 3.74Å; Y180-F223 AromaticContact CD2-CD2 3.87Å; Y180-F223 HydrophobicContact CD2-CD2 3.87Å; Y180-F223 AromaticContact CD2-CE2 3.67Å; Y180-F223 HydrophobicContact CD2-CE2 3.67Å; Y180-F223 HydrophobicContact CD2-CZ 4.46Å; Y180-F223 HydrophobicContact CG-CD2 4.2Å; Y180-F223 HydrophobicContact CG-CE2 4.4Å
181	T	79.4	Confident	74.7	Confident	114 Å²	114	69 Å²	69	70%	0.699	36%	0.356	S	S	*	.			trans	-91.7	123.7	169.9	-48.9	0	0	0	0	108.8	Q183	T181-Q183 PolarHBondContact O-N 2.93Å
182	P	78.4	Confident	75	Confident	52 Å²	52	66.9 Å²	66.9	34%	0.338	34%	0.34	S	S	.	.			trans	-48.7	132	176.3	-31.8	38.7	0	0	0	111.4	D187 P189	P182-D187 HydrophobicContact CB-CB 3.79Å; P182-P189 HydrophobicContact CG-CB 3.74Å; P182-P189 HydrophobicContact CG-CG 4.16Å
183	Q	62	Low	74.4	Confident	90 Å²	90	68.5 Å²	68.5	42%	0.421	35%	0.35	S	S	.	.	S	Bend	trans	-106.6	-11	176.7	-58	-160.3	10.1	0	0	112.5	K153 Y180 T181 D187	K153-Q183 VanDerWaalsContact CE-OE1 3.29Å; Y180-Q183 HydrophobicContact CE2-CG 4.5Å; T181-Q183 PolarHBondContact O-N 2.93Å; Q183-D187 PolarHBondContact N-OD2 3.02Å
184	R	70.3	Confident	74.4	Confident	132 Å²	132	68.4 Å²	68.4	50%	0.498	35%	0.349	S	S	.	.	S	Bend	trans	-140.1	162.5	179.8	-47.8	-177.3	92.6	170.3	1.5	108.8	L159 D186 D187	L159-R184 VanDerWaalsContact CD1-NH1 3.34Å; R184-D186 PolarHBondContact O-N 2.95Å; R184-D187 PolarHBondContact N-OD2 3.4Å; R184-D187 WeakPolarHBondContact O-CB 3.4Å; R184-D187 PolarHBondContact O-N 2.8Å
185	D	74.5	Confident	74.5	Confident	172 Å²	172	72.2 Å²	72.2	92%	0.92	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.4	-177.6	-63.9	-28.7	0	0	0	113
186	D	79.8	Confident	75.1	Confident	105 Å²	105	70.2 Å²	70.2	56%	0.561	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	0.4	-179.7	-53.6	-49.5	0	0	0	113.5	R184 G217 F218	R184-D186 PolarHBondContact O-N 2.95Å; D186-G217 CarbonylContact O-C 3.48Å; D186-G217 VanDerWaalsContact O-CA 3.3Å; D186-G217 WeakPolarHBondContact O-CA 3.28Å; D186-F218 HydrophobicContact CB-CD2 3.88Å; D186-F218 HydrophobicContact CB-CE2 4.22Å; D186-F218 WeakPolarHBondContact O-CD2 3.45Å; D186-F218 PolarHBondContact O-N 2.92Å
187	D	85.1	Confident	75.6	Confident	13 Å²	13	75.8 Å²	75.8	7%	0.07	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-84.4	142.1	-178.6	-73.5	0	0	0	0	111.5	Y180 P182 Q183 R184 F218	Y180-D187 HydrophobicContact CE1-CB 4Å; Y180-D187 PolarHBondContact OH-OD2 2.85Å; P182-D187 HydrophobicContact CB-CB 3.79Å; Q183-D187 PolarHBondContact N-OD2 3.02Å; R184-D187 PolarHBondContact N-OD2 3.4Å; R184-D187 WeakPolarHBondContact O-CB 3.4Å; R184-D187 PolarHBondContact O-N 2.8Å; D187-F218 WeakPolarHBondContact CA-O 3.45Å
188	L	88.2	Confident	77.2	Confident	8 Å²	8	73.4 Å²	73.4	4%	0.042	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-96.1	131	171.5	-165	77.3	0	0	0	110.5	Y180 Y196 V209 D211 N215 F218 V219	Y180-L188 WeakPolarHBondContact CD1-O 3.39Å; L188-Y196 HydrophobicContact CD2-CD1 3.8Å; L188-Y196 HydrophobicContact CD2-CE1 3.99Å; L188-V209 HydrophobicContact CD2-CG2 3.72Å; L188-D211 HydrophobicContact CD2-CB 4.23Å; L188-N215 HydrophobicContact CD1-CB 3.87Å; L188-F218 PolarHBondContact N-O 3.46Å; L188-V219 HydrophobicContact CB-CG1 3.99Å; L188-V219 WeakPolarHBondContact O-CG1 3.34Å
189	P	89.1	Confident	78.5	Confident	68 Å²	68	71.6 Å²	71.6	44%	0.442	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-64.3	138.7	173.4	25	-32.2	0	0	0	111.2	Y180 P182 Y196	Y180-P189 WeakPolarHBondContact O-CA 3.21Å; P182-P189 HydrophobicContact CG-CB 3.74Å; P182-P189 HydrophobicContact CG-CG 4.16Å; P189-Y196 PolarHBondContact O-OH 2.97Å
190	L	82	Confident	79	Confident	8 Å²	8	68.1 Å²	68.1	4%	0.042	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-107.3	138.6	170.3	-60	174.4	0	0	0	110.5	A176 D179 Y180 Y196 V219 F223 V224	A176-L190 HydrophobicContact CB-CB 3.96Å; A176-L190 HydrophobicContact CB-CD1 4.38Å; A176-L190 HydrophobicContact CB-CD2 4.28Å; A176-L190 HydrophobicContact CB-CG 4.46Å; D179-L190 CarbonylContact C-O 3.44Å; D179-L190 WeakPolarHBondContact CA-O 2.82Å; Y180-L190 PolarHBondContact N-O 2.86Å; Y180-L190 PolarHBondContact O-N 2.82Å; L190-Y196 WeakPolarHBondContact CA-OH 3.08Å; L190-Y196 HydrophobicContact CD2-CD1 4.24Å; L190-Y196 HydrophobicContact CD2-CD2 3.75Å; L190-Y196 HydrophobicContact CD2-CE1 3.96Å; L190-Y196 HydrophobicContact CD2-CE2 3.46Å; L190-Y196 VanDerWaalsContact CD2-CE2 3.46Å; L190-Y196 HydrophobicContact CD2-CG 4.15Å; L190-V219 HydrophobicContact CD1-CB 4.02Å; L190-V219 HydrophobicContact CD1-CG1 4.1Å; L190-V219 HydrophobicContact CD2-CB 4.45Å; L190-V219 HydrophobicContact CD2-CG1 3.79Å; L190-V219 HydrophobicContact CG-CB 4.33Å; L190-V219 HydrophobicContact CG-CG1 3.84Å; L190-F223 HydrophobicContact CD1-CB 3.73Å; L190-V224 HydrophobicContact CD1-CG1 3.56Å; L190-V224 HydrophobicContact CD2-CG1 4.05Å; L190-V224 HydrophobicContact CG-CG1 4.48Å
191	Q	80.2	Confident	79.1	Confident	121 Å²	121	69.7 Å²	69.7	57%	0.565	35%	0.352	S	S	*	.			trans	-110.3	128.9	165.9	-172.3	175.1	-13.4	0	0	108.4	A176 D193 Q194 Y196	A176-Q191 WeakPolarHBondContact CB-O 3.31Å; Q191-D193 PolarHBondContact O-N 2.81Å; Q191-Q194 HydrophobicContact CB-CB 4.13Å; Q191-Q194 WeakPolarHBondContact O-CB 3.45Å; Q191-Q194 PolarHBondContact O-N 2.9Å; Q191-Y196 PolarHBondContact N-OH 3.37Å
192	K	68.3	Low	78.6	Confident	92 Å²	92	68.4 Å²	68.4	40%	0.4	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	136.7	-179.6	-175.3	177.8	176.9	-176.7	0	110.8	L177 D179 Q194	L177-K192 WeakPolarHBondContact O-CE 3.45Å; D179-K192 WeakPolarHBondContact OD1-CB 3.39Å; D179-K192 PolarHBondContact OD1-N 3.03Å; K192-Q194 PolarHBondContact O-N 3.46Å
193	D	60.7	Low	78.1	Confident	101 Å²	101	68.2 Å²	68.2	54%	0.54	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	1.4	-179	-50.8	-40.9	0	0	0	115	A176 Q191	A176-D193 PolarHBondContact O-N 2.8Å; Q191-D193 PolarHBondContact O-N 2.81Å
194	Q	77.6	Confident	77.6	Confident	54 Å²	54	67.9 Å²	67.9	25%	0.252	35%	0.35	S	S	.	.			trans	-78.3	146.9	173	-172.9	173.2	-1.3	0	0	111.5	I175 A176 Q191 K192 Y196	I175-Q194 WeakPolarHBondContact CA-O 3.43Å; A176-Q194 PolarHBondContact N-O 3.34Å; Q191-Q194 HydrophobicContact CB-CB 4.13Å; Q191-Q194 WeakPolarHBondContact O-CB 3.45Å; Q191-Q194 PolarHBondContact O-N 2.9Å; K192-Q194 PolarHBondContact O-N 3.46Å; Q194-Y196 HydrophobicContact CB-CE2 3.78Å; Q194-Y196 HydrophobicContact CG-CE2 3.92Å; Q194-Y196 WeakPolarHBondContact O-CD2 3.46Å; Q194-Y196 WeakPolarHBondContact O-CE2 3.45Å; Q194-Y196 PolarHBondContact OE1-OH 3.43Å; Q194-Y196 VanDerWaalsContact OE1-OH 3.09Å
195	E	82.1	Confident	77.1	Confident	80 Å²	80	64.9 Å²	64.9	37%	0.374	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	140.8	178.2	-48.5	-167.8	176.6	0	0	111.9	M173 V174 I175 K227	M173-E195 HydrophobicContact CE-CB 3.7Å; V174-E195 CarbonylContact O-C 3.56Å; V174-E195 VanDerWaalsContact O-CA 3.31Å; V174-E195 WeakPolarHBondContact O-CA 3.31Å; I175-E195 HydrophobicContact CG1-CG 4.28Å; E195-K227 VanDerWaalsContact OE1-CE 3.27Å; E195-K227 WeakPolarHBondContact OE1-CE 3.5Å; E195-K227 IonicContact OE1-NZ 3.51Å; E195-K227 PolarHBondContact OE1-NZ 2.99Å; E195-K227 IonicContact OE2-NZ 3.56Å; E195-K227 PolarHBondContact OE2-NZ 3.5Å
196	Y	88.8	Confident	77.1	Confident	7 Å²	7	57 Å²	57	3%	0.027	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	147.7	177.8	-58.5	-96.1	0	0	0	109.5	M173 V174 A176 L188 P189 L190 Q191 Q194 V209 Q210 D211	M173-Y196 CarbonylContact C-O 3.59Å; M173-Y196 WeakPolarHBondContact CA-O 3.25Å; V174-Y196 WeakPolarHBondContact CG2-O 3.41Å; V174-Y196 PolarHBondContact N-O 3.46Å; V174-Y196 PolarHBondContact O-N 3.26Å; A176-Y196 HydrophobicContact CB-CD2 4.44Å; A176-Y196 HydrophobicContact CB-CE2 3.87Å; L188-Y196 HydrophobicContact CD2-CD1 3.8Å; L188-Y196 HydrophobicContact CD2-CE1 3.99Å; P189-Y196 PolarHBondContact O-OH 2.97Å; L190-Y196 WeakPolarHBondContact CA-OH 3.08Å; L190-Y196 HydrophobicContact CD2-CD1 4.24Å; L190-Y196 HydrophobicContact CD2-CD2 3.75Å; L190-Y196 HydrophobicContact CD2-CE1 3.96Å; L190-Y196 HydrophobicContact CD2-CE2 3.46Å; L190-Y196 VanDerWaalsContact CD2-CE2 3.46Å; L190-Y196 HydrophobicContact CD2-CG 4.15Å; Q191-Y196 PolarHBondContact N-OH 3.37Å; Q194-Y196 HydrophobicContact CB-CE2 3.78Å; Q194-Y196 HydrophobicContact CG-CE2 3.92Å; Q194-Y196 WeakPolarHBondContact O-CD2 3.46Å; Q194-Y196 WeakPolarHBondContact O-CE2 3.45Å; Q194-Y196 PolarHBondContact OE1-OH 3.43Å; Q194-Y196 VanDerWaalsContact OE1-OH 3.09Å; Y196-V209 HydrophobicContact CD1-CG2 4.35Å; Y196-V209 HydrophobicContact CG-CG2 4.36Å; Y196-Q210 CarbonylContact C-O 3.56Å; Y196-Q210 WeakPolarHBondContact CA-O 3.21Å; Y196-Q210 WeakPolarHBondContact CB-O 3.41Å; Y196-D211 HydrophobicContact CD1-CB 4.12Å; Y196-D211 HydrophobicContact CE1-CB 4.07Å
197	R	88.1	Confident	77.3	Confident	116 Å²	116	53 Å²	53	44%	0.438	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.4	173	-177.4	-175.1	-70.8	160.1	-7.9	109.2	M173 I199 V209 Q210	M173-R197 HydrophobicContact SD-CB 3.99Å; M173-R197 HydrophobicContact SD-CG 4.48Å; R197-I199 PolarHBondContact O-N 3.2Å; R197-V209 CarbonylContact O-C 3.54Å; R197-V209 VanDerWaalsContact O-CA 3.23Å; R197-V209 WeakPolarHBondContact O-CA 3.42Å; R197-Q210 HydrophobicContact CB-CB 4.13Å; R197-Q210 PolarHBondContact N-O 2.66Å; R197-Q210 PolarHBondContact O-N 2.86Å
198	L	86.5	Confident	77.5	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	121.2	176	-176.1	61.9	0	0	0	109.8	Q172 V174 W207 V209	Q172-L198 HydrophobicContact CB-CB 4.19Å; Q172-L198 HydrophobicContact CB-CD2 4.42Å; Q172-L198 PolarHBondContact O-N 2.88Å; V174-L198 HydrophobicContact CG1-CB 4.1Å; V174-L198 HydrophobicContact CG1-CD1 4.3Å; V174-L198 HydrophobicContact CG1-CD2 4.32Å; V174-L198 HydrophobicContact CG1-CG 4.49Å; L198-W207 HydrophobicContact CD1-CB 4.29Å; L198-W207 HydrophobicContact CD1-CD2 4.25Å; L198-W207 HydrophobicContact CD1-CE3 3.65Å; L198-W207 HydrophobicContact CD1-CZ3 4.25Å; L198-W207 HydrophobicContact CD2-CZ3 4.36Å; L198-V209 HydrophobicContact CD1-CG1 4.05Å
199	I	84.7	Confident	77.6	Confident	52 Å²	52	53.3 Å²	53.3	27%	0.267	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-45	175.7	-64.2	169	0	0	0	110.4	S169 R197 T208 Q210 A216	S169-I199 PolarHBondContact OG-O 3.31Å; R197-I199 PolarHBondContact O-N 3.2Å; I199-T208 WeakPolarHBondContact CA-O 3.37Å; I199-T208 HydrophobicContact CB-CG2 4.06Å; I199-T208 WeakPolarHBondContact CB-O 3.5Å; I199-T208 HydrophobicContact CD1-CG2 4.11Å; I199-T208 HydrophobicContact CG2-CG2 4.22Å; I199-T208 PolarHBondContact N-O 2.75Å; I199-Q210 HydrophobicContact CD1-CB 3.7Å; I199-Q210 HydrophobicContact CD1-CG 4.23Å; I199-Q210 HydrophobicContact CG1-CB 4.12Å; I199-A216 HydrophobicContact CD1-CB 3.38Å
200	N	78.8	Confident	77.8	Confident	32 Å²	32	52.2 Å²	52.2	17%	0.171	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	127.5	-178.2	-168	-17.1	0	0	0	111	S202 W207 T208	N200-S202 PolarHBondContact ND2-OG 3.07Å; N200-S202 VanDerWaalsContact OD1-CB 3.22Å; N200-S202 WeakPolarHBondContact OD1-CB 3.46Å; N200-S202 PolarHBondContact OD1-N 2.81Å; N200-S202 PolarHBondContact OD1-OG 3.19Å; N200-W207 CarbonylContact O-C 3.54Å; N200-W207 WeakPolarHBondContact O-CA 3.29Å; N200-W207 WeakPolarHBondContact O-CB 3.44Å; N200-T208 PolarHBondContact N-O 3.36Å; N200-T208 VanDerWaalsContact N-O 3.07Å; N200-T208 PolarHBondContact O-N 2.71Å
201	S	75.6	Confident	78.1	Confident	44 Å²	44	53.1 Å²	53.1	31%	0.308	27%	0.274	S	S	.	.			trans	-120.1	13.8	175.4	54.3	0	0	0	0	113.8	H203	S201-H203 VanDerWaalsContact C-N 3.25Å; S201-H203 PolarHBondContact O-N 2.84Å
202	S	69.9	Low	78.3	Confident	86 Å²	86	53.4 Å²	53.4	60%	0.601	28%	0.28	S	S	*	.			trans	-64.7	-26.4	-176.4	58.9	0	0	0	0	113.9	N200	N200-S202 PolarHBondContact ND2-OG 3.07Å; N200-S202 VanDerWaalsContact OD1-CB 3.22Å; N200-S202 WeakPolarHBondContact OD1-CB 3.46Å; N200-S202 PolarHBondContact OD1-N 2.81Å; N200-S202 PolarHBondContact OD1-OG 3.19Å
203	H	68.1	Low	79	Confident	49 Å²	49	58.8 Å²	58.8	23%	0.227	30%	0.298	C	S	.	.	S	Bend	trans	-91.7	139.8	178.1	-170.4	-90.9	0	0	0	111.5	P160 S201 D205 W206 W207	P160-H203 HydrophobicContact CB-CB 4.47Å; P160-H203 HydrophobicContact CG-CB 3.93Å; S201-H203 VanDerWaalsContact C-N 3.25Å; S201-H203 PolarHBondContact O-N 2.84Å; H203-D205 PolarHBondContact ND1-N 3.47Å; H203-D205 PolarHBondContact O-N 2.8Å; H203-W206 WeakPolarHBondContact CB-O 3.24Å; H203-W206 PolarHBondContact ND1-N 3.5Å; H203-W207 PolarHBondContact O-NE1 3.23Å; H203-W207 VanDerWaalsContact O-NE1 3.08Å
204	S	50.8	Low	80	Confident	83 Å²	83	55.9 Å²	55.9	58%	0.58	29%	0.291	S	S	*	.	S	Bend	trans	-65.9	-37.3	-172.9	55.6	0	0	0	0	113.3	S221	S204-S221 WeakPolarHBondContact O-CB 3.44Å; S204-S221 PolarHBondContact O-OG 3.42Å
205	D	60.1	Low	80.5	Confident	69 Å²	69	57.4 Å²	57.4	37%	0.369	30%	0.301	S	S	.	.	S	Bend	trans	-105.6	-20.7	-168.4	-58.4	-27	0	0	0	113.7	P157 H203 P220 S221	P157-D205 HydrophobicContact CG-CB 4.43Å; H203-D205 PolarHBondContact ND1-N 3.47Å; H203-D205 PolarHBondContact O-N 2.8Å; D205-P220 WeakPolarHBondContact O-CA 3.3Å; D205-S221 PolarHBondContact O-N 2.92Å
206	W	74.3	Confident	80.8	Confident	7 Å²	7	56.5 Å²	56.5	3%	0.027	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	121.5	-169.1	-71.8	104.4	0	0	0	109.9	L156 L159 H203 F218 V219 P220	L156-W206 HydrophobicContact CB-CZ2 4.33Å; L156-W206 HydrophobicContact CD1-CH2 4.24Å; L156-W206 HydrophobicContact CD1-CZ2 4.12Å; L156-W206 HydrophobicContact CD2-CZ2 4.4Å; L159-W206 HydrophobicContact CD2-CB 4.15Å; L159-W206 HydrophobicContact CD2-CD2 3.66Å; L159-W206 HydrophobicContact CD2-CE3 4.07Å; L159-W206 HydrophobicContact CD2-CG 3.68Å; H203-W206 WeakPolarHBondContact CB-O 3.24Å; H203-W206 PolarHBondContact ND1-N 3.5Å; W206-F218 HydrophobicContact CB-CD1 4.48Å; W206-F218 HydrophobicContact CE3-CB 3.98Å; W206-F218 HydrophobicContact CZ3-CB 4.42Å; W206-V219 WeakPolarHBondContact CA-O 3.46Å; W206-P220 HydrophobicContact CE3-CG 4.41Å; W206-P220 HydrophobicContact CH2-CG 4.11Å; W206-P220 HydrophobicContact CZ3-CG 3.85Å
207	W	84.3	Confident	80.7	Confident	20 Å²	20	56.5 Å²	56.5	8%	0.076	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	151.2	178	-68.4	2	0	0	0	109.4	V174 L198 N200 H203 F218 V219 V224 E226 N231	V174-W207 HydrophobicContact CG1-CE3 4.45Å; V174-W207 HydrophobicContact CG1-CZ3 4.13Å; L198-W207 HydrophobicContact CD1-CB 4.29Å; L198-W207 HydrophobicContact CD1-CD2 4.25Å; L198-W207 HydrophobicContact CD1-CE3 3.65Å; L198-W207 HydrophobicContact CD1-CZ3 4.25Å; L198-W207 HydrophobicContact CD2-CZ3 4.36Å; N200-W207 CarbonylContact O-C 3.54Å; N200-W207 WeakPolarHBondContact O-CA 3.29Å; N200-W207 WeakPolarHBondContact O-CB 3.44Å; H203-W207 PolarHBondContact O-NE1 3.23Å; H203-W207 VanDerWaalsContact O-NE1 3.08Å; W207-F218 CarbonylContact O-C 3.48Å; W207-F218 WeakPolarHBondContact O-CA 3.34Å; W207-V219 HydrophobicContact CB-CG2 4.33Å; W207-V219 PolarHBondContact N-O 2.84Å; W207-V219 PolarHBondContact O-N 2.94Å; W207-V224 HydrophobicContact CD2-CG2 4.43Å; W207-V224 HydrophobicContact CE3-CG2 3.72Å; W207-V224 HydrophobicContact CZ3-CG2 4.25Å; W207-E226 HydrophobicContact CH2-CG 4.43Å; W207-E226 HydrophobicContact CZ3-CG 4.23Å; W207-N231 WeakPolarHBondContact CH2-ND2 3.26Å
208	T	88.9	Confident	80.6	Confident	27 Å²	27	53 Å²	53	17%	0.166	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.6	171.4	-48.9	0	0	0	0	107.8	I199 N200 G217 F218	I199-T208 WeakPolarHBondContact CA-O 3.37Å; I199-T208 HydrophobicContact CB-CG2 4.06Å; I199-T208 WeakPolarHBondContact CB-O 3.5Å; I199-T208 HydrophobicContact CD1-CG2 4.11Å; I199-T208 HydrophobicContact CG2-CG2 4.22Å; I199-T208 PolarHBondContact N-O 2.75Å; N200-T208 PolarHBondContact N-O 3.36Å; N200-T208 VanDerWaalsContact N-O 3.07Å; N200-T208 PolarHBondContact O-N 2.71Å; T208-G217 WeakPolarHBondContact CA-O 3.44Å; T208-F218 WeakPolarHBondContact OG1-CE1 3.36Å
209	V	90.3	Very high	80.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	158.4	179.7	-56.7	0	0	0	0	110.2	V174 L188 Y196 R197 L198 A216 G217 V219	V174-V209 HydrophobicContact CG2-CG1 3.87Å; L188-V209 HydrophobicContact CD2-CG2 3.72Å; Y196-V209 HydrophobicContact CD1-CG2 4.35Å; Y196-V209 HydrophobicContact CG-CG2 4.36Å; R197-V209 CarbonylContact O-C 3.54Å; R197-V209 VanDerWaalsContact O-CA 3.23Å; R197-V209 WeakPolarHBondContact O-CA 3.42Å; L198-V209 HydrophobicContact CD1-CG1 4.05Å; V209-A216 VanDerWaalsContact O-CA 3.31Å; V209-A216 WeakPolarHBondContact O-CA 3.3Å; V209-G217 PolarHBondContact N-O 3.4Å; V209-G217 VanDerWaalsContact N-O 3.08Å; V209-G217 PolarHBondContact O-N 3.14Å; V209-G217 VanDerWaalsContact O-N 3.09Å; V209-V219 HydrophobicContact CB-CG2 4.31Å; V209-V219 HydrophobicContact CG1-CG2 3.7Å; V209-V219 HydrophobicContact CG2-CB 4.26Å; V209-V219 HydrophobicContact CG2-CG1 3.59Å; V209-V219 HydrophobicContact CG2-CG2 3.62Å
210	Q	92.7	Very high	79.9	Confident	46 Å²	46	50.8 Å²	50.8	22%	0.215	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.1	179.3	-155.3	175.9	34.8	0	0	110.7	Y196 R197 I199 G214 N215 A216	Y196-Q210 CarbonylContact C-O 3.56Å; Y196-Q210 WeakPolarHBondContact CA-O 3.21Å; Y196-Q210 WeakPolarHBondContact CB-O 3.41Å; R197-Q210 HydrophobicContact CB-CB 4.13Å; R197-Q210 PolarHBondContact N-O 2.66Å; R197-Q210 PolarHBondContact O-N 2.86Å; I199-Q210 HydrophobicContact CD1-CB 3.7Å; I199-Q210 HydrophobicContact CD1-CG 4.23Å; I199-Q210 HydrophobicContact CG1-CB 4.12Å; Q210-G214 PolarHBondContact NE2-O 3.34Å; Q210-N215 CarbonylContact C-O 3.4Å; Q210-N215 VanDerWaalsContact CA-O 3.25Å; Q210-N215 WeakPolarHBondContact CA-O 3.47Å; Q210-N215 WeakPolarHBondContact CG-O 3.47Å; Q210-A216 HydrophobicContact CG-CB 4.47Å
211	D	90.3	Very high	79.3	Confident	26 Å²	26	50 Å²	50	14%	0.139	28%	0.284	C	S	.	.			trans	-76.7	176.4	169.8	72.1	12.4	0	0	0	112.4	L188 Y196 R213 G214 N215	L188-D211 HydrophobicContact CD2-CB 4.23Å; Y196-D211 HydrophobicContact CD1-CB 4.12Å; Y196-D211 HydrophobicContact CE1-CB 4.07Å; D211-R213 PolarHBondContact O-N 3.13Å; D211-R213 VanDerWaalsContact OD1-C 3.28Å; D211-R213 VanDerWaalsContact OD1-CA 3.31Å; D211-R213 WeakPolarHBondContact OD1-CA 3.27Å; D211-R213 WeakPolarHBondContact OD1-CB 3.35Å; D211-R213 PolarHBondContact OD1-N 2.87Å; D211-G214 PolarHBondContact O-N 3.28Å; D211-G214 PolarHBondContact OD1-N 2.74Å; D211-N215 PolarHBondContact N-O 3.31Å; D211-N215 PolarHBondContact OD1-N 2.89Å; D211-N215 PolarHBondContact OD1-ND2 3.27Å; D211-N215 WeakPolarHBondContact OD2-CB 3.3Å; D211-N215 PolarHBondContact OD2-ND2 2.69Å
212	D	83.9	Confident	78.5	Confident	128 Å²	128	52.4 Å²	52.4	68%	0.684	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.3	177.5	64	-23.6	0	0	0	113.8
213	R	82.9	Confident	78.4	Confident	205 Å²	205	50.6 Å²	50.6	77%	0.774	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-1.9	176.8	-59.4	174.1	-170.9	-162.9	1.9	112.3	D211	D211-R213 PolarHBondContact O-N 3.13Å; D211-R213 VanDerWaalsContact OD1-C 3.28Å; D211-R213 VanDerWaalsContact OD1-CA 3.31Å; D211-R213 WeakPolarHBondContact OD1-CA 3.27Å; D211-R213 WeakPolarHBondContact OD1-CB 3.35Å; D211-R213 PolarHBondContact OD1-N 2.87Å
214	G	81.4	Confident	78.4	Confident	39 Å²	39	48.2 Å²	48.2	40%	0.402	27%	0.267	S	S	.	.	S	Bend	trans	86.8	3.6	179.5	0	0	0	0	0	114.6	Q210 D211	Q210-G214 PolarHBondContact NE2-O 3.34Å; D211-G214 PolarHBondContact O-N 3.28Å; D211-G214 PolarHBondContact OD1-N 2.74Å
215	N	87.1	Confident	79	Confident	87 Å²	87	45.2 Å²	45.2	47%	0.465	25%	0.247	S	C	.	.			trans	-74.6	129.7	176.1	-52.2	-58.1	0	0	0	109.4	L188 Q210 D211	L188-N215 HydrophobicContact CD1-CB 3.87Å; Q210-N215 CarbonylContact C-O 3.4Å; Q210-N215 VanDerWaalsContact CA-O 3.25Å; Q210-N215 WeakPolarHBondContact CA-O 3.47Å; Q210-N215 WeakPolarHBondContact CG-O 3.47Å; D211-N215 PolarHBondContact N-O 3.31Å; D211-N215 PolarHBondContact OD1-N 2.89Å; D211-N215 PolarHBondContact OD1-ND2 3.27Å; D211-N215 WeakPolarHBondContact OD2-CB 3.3Å; D211-N215 PolarHBondContact OD2-ND2 2.69Å
216	A	89	Confident	79.4	Confident	61 Å²	61	43.8 Å²	43.8	50%	0.504	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141.5	177.1	0	0	0	0	0	110.2	I199 V209 Q210	I199-A216 HydrophobicContact CD1-CB 3.38Å; V209-A216 VanDerWaalsContact O-CA 3.31Å; V209-A216 WeakPolarHBondContact O-CA 3.3Å; Q210-A216 HydrophobicContact CG-CB 4.47Å
217	G	88.1	Confident	78.9	Confident	7 Å²	7	48.3 Å²	48.3	7%	0.072	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	175	175.4	0	0	0	0	0	112.4	D186 T208 V209	D186-G217 CarbonylContact O-C 3.48Å; D186-G217 VanDerWaalsContact O-CA 3.3Å; D186-G217 WeakPolarHBondContact O-CA 3.28Å; T208-G217 WeakPolarHBondContact CA-O 3.44Å; V209-G217 PolarHBondContact N-O 3.4Å; V209-G217 VanDerWaalsContact N-O 3.08Å; V209-G217 PolarHBondContact O-N 3.14Å; V209-G217 VanDerWaalsContact O-N 3.09Å
218	F	85.1	Confident	77.5	Confident	41 Å²	41	52.9 Å²	52.9	18%	0.18	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	140.5	-178.7	-66.9	-76.4	0	0	0	111.8	L159 D186 D187 L188 W206 W207 T208	L159-F218 HydrophobicContact CD1-CD2 4.47Å; L159-F218 HydrophobicContact CD2-CB 4.18Å; L159-F218 HydrophobicContact CD2-CD1 4.11Å; L159-F218 HydrophobicContact CD2-CD2 4.25Å; L159-F218 HydrophobicContact CD2-CG 3.92Å; D186-F218 HydrophobicContact CB-CD2 3.88Å; D186-F218 HydrophobicContact CB-CE2 4.22Å; D186-F218 WeakPolarHBondContact O-CD2 3.45Å; D186-F218 PolarHBondContact O-N 2.92Å; D187-F218 WeakPolarHBondContact CA-O 3.45Å; L188-F218 PolarHBondContact N-O 3.46Å; W206-F218 HydrophobicContact CB-CD1 4.48Å; W206-F218 HydrophobicContact CE3-CB 3.98Å; W206-F218 HydrophobicContact CZ3-CB 4.42Å; W207-F218 CarbonylContact O-C 3.48Å; W207-F218 WeakPolarHBondContact O-CA 3.34Å; T208-F218 WeakPolarHBondContact OG1-CE1 3.36Å
219	V	81.7	Confident	75.7	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.5	172.9	-60.9	0	0	0	0	110.1	L188 L190 W206 W207 V209 S221 V224	L188-V219 HydrophobicContact CB-CG1 3.99Å; L188-V219 WeakPolarHBondContact O-CG1 3.34Å; L190-V219 HydrophobicContact CD1-CB 4.02Å; L190-V219 HydrophobicContact CD1-CG1 4.1Å; L190-V219 HydrophobicContact CD2-CB 4.45Å; L190-V219 HydrophobicContact CD2-CG1 3.79Å; L190-V219 HydrophobicContact CG-CB 4.33Å; L190-V219 HydrophobicContact CG-CG1 3.84Å; W206-V219 WeakPolarHBondContact CA-O 3.46Å; W207-V219 HydrophobicContact CB-CG2 4.33Å; W207-V219 PolarHBondContact N-O 2.84Å; W207-V219 PolarHBondContact O-N 2.94Å; V209-V219 HydrophobicContact CB-CG2 4.31Å; V209-V219 HydrophobicContact CG1-CG2 3.7Å; V209-V219 HydrophobicContact CG2-CB 4.26Å; V209-V219 HydrophobicContact CG2-CG1 3.59Å; V209-V219 HydrophobicContact CG2-CG2 3.62Å; V219-S221 PolarHBondContact O-N 3.42Å; V219-V224 HydrophobicContact CG2-CG1 4Å; V219-V224 HydrophobicContact CG2-CG2 4.23Å
220	P	74.6	Confident	73.9	Confident	10 Å²	10	60 Å²	60	7%	0.065	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	129.6	173	-21.5	32.7	0	0	0	110.5	Y180 D205 W206 T222 F223	Y180-P220 HydrophobicContact CD2-CG 4.12Å; Y180-P220 HydrophobicContact CE2-CG 3.74Å; D205-P220 WeakPolarHBondContact O-CA 3.3Å; W206-P220 HydrophobicContact CE3-CG 4.41Å; W206-P220 HydrophobicContact CH2-CG 4.11Å; W206-P220 HydrophobicContact CZ3-CG 3.85Å; P220-T222 PolarHBondContact O-N 3.26Å; P220-F223 HydrophobicContact CB-CB 4.36Å; P220-F223 HydrophobicContact CB-CD1 3.69Å; P220-F223 HydrophobicContact CB-CE1 4.16Å; P220-F223 HydrophobicContact CB-CG 4.1Å; P220-F223 HydrophobicContact CG-CD1 4.13Å; P220-F223 HydrophobicContact CG-CE1 4.36Å; P220-F223 HydrophobicContact CG-CG 4.25Å; P220-F223 PolarHBondContact O-N 3.02Å
221	S	67.3	Low	72.3	Confident	15 Å²	15	59.1 Å²	59.1	11%	0.105	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-59.3	-25	-179.5	67.3	0	0	0	0	112.8	S204 D205 V219 F223 R234	S204-S221 WeakPolarHBondContact O-CB 3.44Å; S204-S221 PolarHBondContact O-OG 3.42Å; D205-S221 PolarHBondContact O-N 2.92Å; V219-S221 PolarHBondContact O-N 3.42Å; S221-F223 VanDerWaalsContact C-N 3.31Å; S221-F223 PolarHBondContact O-N 3.11Å; S221-R234 PolarHBondContact O-NH1 2.92Å
222	T	57.9	Low	71	Confident	94 Å²	94	58.9 Å²	58.9	58%	0.577	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-74.6	-17.4	177	51.1	0	0	0	0	113.8	P220	P220-T222 PolarHBondContact O-N 3.26Å
223	F	68	Low	70.1	Confident	48 Å²	48	58.2 Å²	58.2	21%	0.211	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-94.9	-7.9	-176.7	-76.3	45.4	0	0	0	112.1	A176 L177 Q178 Y180 L190 P220 S221	A176-F223 WeakPolarHBondContact CA-O 3.42Å; L177-F223 PolarHBondContact N-O 2.72Å; Q178-F223 HydrophobicContact CG-CB 4.48Å; Q178-F223 HydrophobicContact CG-CD2 3.59Å; Q178-F223 HydrophobicContact CG-CE2 3.98Å; Q178-F223 HydrophobicContact CG-CG 4.02Å; Q178-F223 VanDerWaalsContact NE2-CD2 3.28Å; Y180-F223 AromaticContact CD2-CD2 3.87Å; Y180-F223 HydrophobicContact CD2-CD2 3.87Å; Y180-F223 AromaticContact CD2-CE2 3.67Å; Y180-F223 HydrophobicContact CD2-CE2 3.67Å; Y180-F223 HydrophobicContact CD2-CZ 4.46Å; Y180-F223 HydrophobicContact CG-CD2 4.2Å; Y180-F223 HydrophobicContact CG-CE2 4.4Å; L190-F223 HydrophobicContact CD1-CB 3.73Å; P220-F223 HydrophobicContact CB-CB 4.36Å; P220-F223 HydrophobicContact CB-CD1 3.69Å; P220-F223 HydrophobicContact CB-CE1 4.16Å; P220-F223 HydrophobicContact CB-CG 4.1Å; P220-F223 HydrophobicContact CG-CD1 4.13Å; P220-F223 HydrophobicContact CG-CE1 4.36Å; P220-F223 HydrophobicContact CG-CG 4.25Å; P220-F223 PolarHBondContact O-N 3.02Å; S221-F223 VanDerWaalsContact C-N 3.31Å; S221-F223 PolarHBondContact O-N 3.11Å
224	V	67.8	Low	69.1	Low	0 Å²	0	52 Å²	52	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	155.2	179	-65.8	0	0	0	0	111.1	V174 I175 L190 W207 V219 R234	V174-V224 HydrophobicContact CB-CB 4.16Å; V174-V224 HydrophobicContact CG2-CB 4.11Å; V174-V224 HydrophobicContact CG2-CG1 4.27Å; I175-V224 CarbonylContact O-C 3.59Å; I175-V224 WeakPolarHBondContact O-CA 3.35Å; L190-V224 HydrophobicContact CD1-CG1 3.56Å; L190-V224 HydrophobicContact CD2-CG1 4.05Å; L190-V224 HydrophobicContact CG-CG1 4.48Å; W207-V224 HydrophobicContact CD2-CG2 4.43Å; W207-V224 HydrophobicContact CE3-CG2 3.72Å; W207-V224 HydrophobicContact CZ3-CG2 4.25Å; V219-V224 HydrophobicContact CG2-CG1 4Å; V219-V224 HydrophobicContact CG2-CG2 4.23Å; V224-R234 PolarHBondContact O-NH1 2.98Å
225	A	63.3	Low	68.5	Low	20 Å²	20	52.5 Å²	52.5	17%	0.165	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	133.5	174.2	0	0	0	0	0	110.4	V174 I175 L177 K227	V174-A225 CarbonylContact C-O 3.48Å; V174-A225 WeakPolarHBondContact CA-O 3.49Å; I175-A225 PolarHBondContact N-O 2.63Å; I175-A225 PolarHBondContact O-N 2.69Å; L177-A225 HydrophobicContact CD1-CB 4.16Å; L177-A225 HydrophobicContact CD2-CB 3.74Å; L177-A225 HydrophobicContact CG-CB 4.04Å; A225-K227 PolarHBondContact O-N 3.2Å
226	E	68.9	Low	68.1	Low	39 Å²	39	51.1 Å²	51.1	18%	0.182	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	130.6	174.1	-70.5	177.1	-157.6	0	0	111.5	V174 W207 N228 G229 N231	V174-E226 HydrophobicContact CG1-CG 3.99Å; W207-E226 HydrophobicContact CH2-CG 4.43Å; W207-E226 HydrophobicContact CZ3-CG 4.23Å; E226-N228 PolarHBondContact O-N 3.09Å; E226-N228 VanDerWaalsContact O-N 3.09Å; E226-G229 PolarHBondContact O-N 2.75Å; E226-N231 HydrophobicContact CB-CB 4.45Å
227	K	63.4	Low	67.9	Low	102 Å²	102	49.1 Å²	49.1	44%	0.443	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.4	-179.1	-170.6	172.7	-173.4	175.8	0	113	M173 I175 E195 A225	M173-K227 HydrophobicContact CB-CB 4.2Å; M173-K227 HydrophobicContact CB-CD 4.07Å; M173-K227 VanDerWaalsContact O-CB 3.3Å; M173-K227 WeakPolarHBondContact O-CB 3.48Å; M173-K227 PolarHBondContact O-N 3.24Å; I175-K227 HydrophobicContact CD1-CB 4.37Å; I175-K227 HydrophobicContact CD1-CG 4.09Å; I175-K227 HydrophobicContact CG1-CB 4.4Å; I175-K227 HydrophobicContact CG1-CG 4.47Å; E195-K227 VanDerWaalsContact OE1-CE 3.27Å; E195-K227 WeakPolarHBondContact OE1-CE 3.5Å; E195-K227 IonicContact OE1-NZ 3.51Å; E195-K227 PolarHBondContact OE1-NZ 2.99Å; E195-K227 IonicContact OE2-NZ 3.56Å; E195-K227 PolarHBondContact OE2-NZ 3.5Å; A225-K227 PolarHBondContact O-N 3.2Å
228	N	55	Low	67.9	Low	116 Å²	116	49.9 Å²	49.9	62%	0.62	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	7.6	-175.5	-66	-15.1	0	0	0	114.4	E226 K230	E226-N228 PolarHBondContact O-N 3.09Å; E226-N228 VanDerWaalsContact O-N 3.09Å; N228-K230 PolarHBondContact O-N 3.28Å
229	G	51.8	Low	67.9	Low	21 Å²	21	48.5 Å²	48.5	22%	0.216	25%	0.249	C	C	.	.	S	Bend	trans	68.3	16.3	171.8	0	0	0	0	0	115.1	E226 F232	E226-G229 PolarHBondContact O-N 2.75Å; G229-F232 VanDerWaalsContact O-CD2 3.26Å; G229-F232 WeakPolarHBondContact O-CD2 2.73Å; G229-F232 VanDerWaalsContact O-CE2 3.31Å; G229-F232 WeakPolarHBondContact O-CE2 3.19Å
230	K	51.7	Low	67.8	Low	154 Å²	154	52.1 Å²	52.1	67%	0.67	27%	0.265	S	S	*	.			trans	-84.9	-7.3	178.4	-72	-174	178.1	179.8	0	114.1	N228 F232	N228-K230 PolarHBondContact O-N 3.28Å; K230-F232 PolarHBondContact O-N 3.41Å
231	N	58.6	Low	67.8	Low	29 Å²	29	58.6 Å²	58.6	16%	0.155	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	30.4	-176.9	-160.1	3	0	0	0	113.9	W207 E226 E233 R234	W207-N231 WeakPolarHBondContact CH2-ND2 3.26Å; E226-N231 HydrophobicContact CB-CB 4.45Å; N231-E233 VanDerWaalsContact C-N 3.3Å; N231-R234 WeakPolarHBondContact O-CG 3.35Å
232	F	63.3	Low	68.7	Low	20 Å²	20	58.2 Å²	58.2	9%	0.088	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-20.4	172.8	-65.1	-48.2	0	0	0	112.6	G229 K230 R234 F235 W237 Y238 Y271 I316 P317	G229-F232 VanDerWaalsContact O-CD2 3.26Å; G229-F232 WeakPolarHBondContact O-CD2 2.73Å; G229-F232 VanDerWaalsContact O-CE2 3.31Å; G229-F232 WeakPolarHBondContact O-CE2 3.19Å; K230-F232 PolarHBondContact O-N 3.41Å; F232-R234 PolarHBondContact O-N 2.96Å; F232-F235 HydrophobicContact CD1-CD2 4.31Å; F232-F235 HydrophobicContact CD1-CE2 4.37Å; F232-F235 PolarHBondContact O-N 3.5Å; F232-W237 HydrophobicContact CD1-CH2 4.13Å; F232-Y238 HydrophobicContact CB-CD1 3.24Å; F232-Y238 HydrophobicContact CB-CD2 3.64Å; F232-Y238 HydrophobicContact CB-CE1 3.42Å; F232-Y238 VanDerWaalsContact CB-CE1 3.42Å; F232-Y238 HydrophobicContact CB-CE2 3.84Å; F232-Y238 HydrophobicContact CB-CG 3.32Å; F232-Y238 HydrophobicContact CD2-CD2 4.43Å; F232-Y238 AromaticContact CD2-CE2 4Å; F232-Y238 HydrophobicContact CD2-CE2 4Å; F232-Y238 HydrophobicContact CG-CD2 4.24Å; F232-Y238 HydrophobicContact CG-CE1 4.47Å; F232-Y238 HydrophobicContact CG-CE2 4.25Å; F232-Y238 HydrophobicContact CG-CG 4.37Å; F232-Y238 VanDerWaalsContact O-CB 3.22Å; F232-Y238 WeakPolarHBondContact O-CB 3.47Å; F232-Y238 WeakPolarHBondContact O-CD1 3.25Å; F232-Y271 HydrophobicContact CD2-CD1 4.38Å; F232-Y271 AromaticContact CD2-CE1 3.7Å; F232-Y271 HydrophobicContact CD2-CE1 3.7Å; F232-Y271 AromaticContact CD2-CZ 3.96Å; F232-Y271 HydrophobicContact CE2-CD1 4.24Å; F232-Y271 AromaticContact CE2-CE1 3.56Å; F232-Y271 HydrophobicContact CE2-CE1 3.56Å; F232-Y271 AromaticContact CE2-CE2 3.9Å; F232-Y271 HydrophobicContact CE2-CE2 3.9Å; F232-Y271 AromaticContact CE2-CZ 3.38Å; F232-Y271 WeakPolarHBondContact CE2-OH 3.42Å; F232-I316 HydrophobicContact CE1-CB 4.08Å; F232-I316 HydrophobicContact CE1-CG2 4.43Å; F232-I316 HydrophobicContact CE2-CD1 4.27Å; F232-I316 HydrophobicContact CZ-CB 4.08Å; F232-I316 HydrophobicContact CZ-CD1 3.83Å; F232-I316 HydrophobicContact CZ-CG1 4.33Å; F232-P317 HydrophobicContact CE1-CG 4.29Å
233	E	65.3	Low	70.2	Confident	114 Å²	114	56.2 Å²	56.2	53%	0.533	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.1	-178.3	-62.6	-178.6	-170.4	0	0	113.9	N231 F235 Y238 K240	N231-E233 VanDerWaalsContact C-N 3.3Å; E233-F235 VanDerWaalsContact C-N 3.34Å; E233-Y238 HydrophobicContact CG-CD1 4.32Å; E233-Y238 HydrophobicContact CG-CE1 4.19Å; E233-K240 HydrophobicContact CG-CD 4.46Å; E233-K240 WeakPolarHBondContact OE1-CD 3.26Å; E233-K240 WeakPolarHBondContact OE1-CE 3.49Å; E233-K240 IonicContact OE1-NZ 2.74Å; E233-K240 PolarHBondContact OE1-NZ 2.93Å
234	R	61.7	Low	71.2	Confident	74 Å²	74	60.8 Å²	60.8	28%	0.279	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-25.4	172.8	74.1	-174.5	174.2	-179.7	-4.9	113.9	S221 V224 N231 F232	S221-R234 PolarHBondContact O-NH1 2.92Å; V224-R234 PolarHBondContact O-NH1 2.98Å; N231-R234 WeakPolarHBondContact O-CG 3.35Å; F232-R234 PolarHBondContact O-N 2.96Å
235	F	69.9	Low	72.2	Confident	50 Å²	50	69.4 Å²	69.4	22%	0.219	33%	0.329	C	S	.	.	S	Bend	trans	-87.4	125.8	-177.6	-62.9	-74.5	0	0	0	110.1	F232 E233 W237 Y238 P317	F232-F235 HydrophobicContact CD1-CD2 4.31Å; F232-F235 HydrophobicContact CD1-CE2 4.37Å; F232-F235 PolarHBondContact O-N 3.5Å; E233-F235 VanDerWaalsContact C-N 3.34Å; F235-W237 HydrophobicContact CB-CD2 3.71Å; F235-W237 HydrophobicContact CB-CE3 4.2Å; F235-W237 HydrophobicContact CB-CG 4.18Å; F235-W237 HydrophobicContact CB-CH2 4.16Å; F235-W237 HydrophobicContact CB-CZ2 3.63Å; F235-W237 HydrophobicContact CB-CZ3 4.42Å; F235-W237 AromaticContact CD1-CE2 3.92Å; F235-W237 AromaticContact CD1-CZ2 3.81Å; F235-W237 HydrophobicContact CD1-CZ2 3.81Å; F235-W237 AromaticContact CD1-NE1 3.76Å; F235-W237 AromaticContact CD2-CH2 3.86Å; F235-W237 HydrophobicContact CD2-CH2 3.86Å; F235-W237 AromaticContact CD2-CZ2 3.6Å; F235-W237 HydrophobicContact CD2-CZ2 3.6Å; F235-W237 HydrophobicContact CE1-CZ2 4.35Å; F235-W237 HydrophobicContact CE2-CH2 4.47Å; F235-W237 HydrophobicContact CE2-CZ2 4.18Å; F235-W237 HydrophobicContact CG-CD2 4.41Å; F235-W237 AromaticContact CG-CE2 3.6Å; F235-W237 HydrophobicContact CG-CH2 4.05Å; F235-W237 AromaticContact CG-CZ2 3.39Å; F235-W237 HydrophobicContact CG-CZ2 3.39Å; F235-W237 AromaticContact CG-NE1 3.86Å; F235-W237 PolarHBondContact O-N 3.04Å; F235-W237 VanDerWaalsContact O-N 3.09Å; F235-Y238 PolarHBondContact O-N 3.4Å; F235-P317 HydrophobicContact CD2-CG 4.49Å; F235-P317 HydrophobicContact CE1-CB 4.28Å; F235-P317 HydrophobicContact CE2-CB 4.24Å; F235-P317 HydrophobicContact CE2-CG 3.6Å; F235-P317 HydrophobicContact CZ-CB 3.78Å; F235-P317 HydrophobicContact CZ-CG 3.61Å
236	A	76.9	Confident	73.5	Confident	58 Å²	58	71.3 Å²	71.3	48%	0.479	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.2	179.8	0	0	0	0	0	113	Y238 S339	A236-Y238 VanDerWaalsContact C-N 3.27Å; A236-Y238 PolarHBondContact O-N 3.39Å; A236-S339 PolarHBondContact O-OG 2.95Å
237	W	86.8	Confident	74.6	Confident	19 Å²	19	69.4 Å²	69.4	7%	0.072	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-13.7	178	47.6	-105.6	0	0	0	114.2	F232 F235 N239 F260 M261 V262 I316 P317 I320 A337	F232-W237 HydrophobicContact CD1-CH2 4.13Å; F235-W237 HydrophobicContact CB-CD2 3.71Å; F235-W237 HydrophobicContact CB-CE3 4.2Å; F235-W237 HydrophobicContact CB-CG 4.18Å; F235-W237 HydrophobicContact CB-CH2 4.16Å; F235-W237 HydrophobicContact CB-CZ2 3.63Å; F235-W237 HydrophobicContact CB-CZ3 4.42Å; F235-W237 AromaticContact CD1-CE2 3.92Å; F235-W237 AromaticContact CD1-CZ2 3.81Å; F235-W237 HydrophobicContact CD1-CZ2 3.81Å; F235-W237 AromaticContact CD1-NE1 3.76Å; F235-W237 AromaticContact CD2-CH2 3.86Å; F235-W237 HydrophobicContact CD2-CH2 3.86Å; F235-W237 AromaticContact CD2-CZ2 3.6Å; F235-W237 HydrophobicContact CD2-CZ2 3.6Å; F235-W237 HydrophobicContact CE1-CZ2 4.35Å; F235-W237 HydrophobicContact CE2-CH2 4.47Å; F235-W237 HydrophobicContact CE2-CZ2 4.18Å; F235-W237 HydrophobicContact CG-CD2 4.41Å; F235-W237 AromaticContact CG-CE2 3.6Å; F235-W237 HydrophobicContact CG-CH2 4.05Å; F235-W237 AromaticContact CG-CZ2 3.39Å; F235-W237 HydrophobicContact CG-CZ2 3.39Å; F235-W237 AromaticContact CG-NE1 3.86Å; F235-W237 PolarHBondContact O-N 3.04Å; F235-W237 VanDerWaalsContact O-N 3.09Å; W237-N239 PolarHBondContact O-ND2 2.95Å; W237-F260 HydrophobicContact CB-CD2 4.41Å; W237-F260 HydrophobicContact CB-CE2 3.61Å; W237-F260 HydrophobicContact CB-CZ 3.88Å; W237-F260 HydrophobicContact CG-CE2 4.05Å; W237-F260 HydrophobicContact CG-CZ 4.28Å; W237-M261 CarbonylContact O-C 3.56Å; W237-M261 WeakPolarHBondContact O-CA 3.35Å; W237-V262 HydrophobicContact CD2-CG2 4.11Å; W237-V262 HydrophobicContact CE3-CB 3.5Å; W237-V262 VanDerWaalsContact CE3-CB 3.5Å; W237-V262 HydrophobicContact CE3-CG1 4.43Å; W237-V262 HydrophobicContact CE3-CG2 3.22Å; W237-V262 HydrophobicContact CZ3-CB 3.62Å; W237-V262 HydrophobicContact CZ3-CG1 4.06Å; W237-V262 HydrophobicContact CZ3-CG2 3.5Å; W237-V262 VanDerWaalsContact CZ3-CG2 3.5Å; W237-V262 PolarHBondContact O-N 2.67Å; W237-I316 HydrophobicContact CH2-CG2 4.23Å; W237-P317 HydrophobicContact CH2-CG 4.42Å; W237-P317 HydrophobicContact CZ2-CB 4.32Å; W237-P317 HydrophobicContact CZ2-CG 4.32Å; W237-I320 HydrophobicContact CD2-CG2 4.27Å; W237-I320 HydrophobicContact CG-CG2 4.38Å; W237-I320 HydrophobicContact CH2-CG1 4.2Å; W237-I320 HydrophobicContact CZ2-CB 4.35Å; W237-I320 HydrophobicContact CZ2-CG1 4.21Å; W237-I320 HydrophobicContact CZ2-CG2 4.46Å; W237-I320 HydrophobicContact CZ3-CG1 4.41Å; W237-A337 HydrophobicContact CB-CB 3.72Å
238	Y	86.9	Confident	76	Confident	23 Å²	23	66.6 Å²	66.6	9%	0.09	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	124.7	-175.6	-176.6	-113.2	0	0	0	112.6	F232 E233 F235 A236 K240 V262 D264 Y271	F232-Y238 HydrophobicContact CB-CD1 3.24Å; F232-Y238 HydrophobicContact CB-CD2 3.64Å; F232-Y238 HydrophobicContact CB-CE1 3.42Å; F232-Y238 VanDerWaalsContact CB-CE1 3.42Å; F232-Y238 HydrophobicContact CB-CE2 3.84Å; F232-Y238 HydrophobicContact CB-CG 3.32Å; F232-Y238 HydrophobicContact CD2-CD2 4.43Å; F232-Y238 AromaticContact CD2-CE2 4Å; F232-Y238 HydrophobicContact CD2-CE2 4Å; F232-Y238 HydrophobicContact CG-CD2 4.24Å; F232-Y238 HydrophobicContact CG-CE1 4.47Å; F232-Y238 HydrophobicContact CG-CE2 4.25Å; F232-Y238 HydrophobicContact CG-CG 4.37Å; F232-Y238 VanDerWaalsContact O-CB 3.22Å; F232-Y238 WeakPolarHBondContact O-CB 3.47Å; F232-Y238 WeakPolarHBondContact O-CD1 3.25Å; E233-Y238 HydrophobicContact CG-CD1 4.32Å; E233-Y238 HydrophobicContact CG-CE1 4.19Å; F235-Y238 PolarHBondContact O-N 3.4Å; A236-Y238 VanDerWaalsContact C-N 3.27Å; A236-Y238 PolarHBondContact O-N 3.39Å; Y238-K240 HydrophobicContact CD1-CB 4.36Å; Y238-K240 HydrophobicContact CE1-CB 3.6Å; Y238-K240 HydrophobicContact CE1-CD 4.46Å; Y238-K240 HydrophobicContact CE1-CG 4.03Å; Y238-V262 CarbonylContact C-O 3.58Å; Y238-V262 WeakPolarHBondContact CA-O 3.44Å; Y238-V262 HydrophobicContact CD2-CB 4.21Å; Y238-V262 HydrophobicContact CD2-CG1 4.2Å; Y238-V262 WeakPolarHBondContact CD2-O 3.43Å; Y238-D264 PolarHBondContact OH-OD1 3.41Å; Y238-D264 PolarHBondContact OH-OD2 3.33Å; Y238-Y271 HydrophobicContact CE2-CD1 4.08Å; Y238-Y271 HydrophobicContact CE2-CE1 4.13Å
239	N	86.2	Confident	77.8	Confident	12 Å²	12	66.7 Å²	66.7	6%	0.064	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	89.7	-179.8	-67.2	-94.3	0	0	0	108.1	W237 I242 M261 V262 R263 V338 S339 K340	W237-N239 PolarHBondContact O-ND2 2.95Å; N239-I242 HydrophobicContact CB-CB 4.17Å; N239-I242 HydrophobicContact CB-CG2 3.65Å; N239-I242 WeakPolarHBondContact O-CG2 3.5Å; N239-M261 HydrophobicContact CB-SD 4.43Å; N239-M261 WeakPolarHBondContact ND2-CB 3.38Å; N239-V262 PolarHBondContact N-O 3.26Å; N239-R263 WeakPolarHBondContact O-CA 3.22Å; N239-R263 WeakPolarHBondContact O-CB 3.42Å; N239-V338 PolarHBondContact ND2-O 3.2Å; N239-S339 WeakPolarHBondContact OD1-CA 3.36Å; N239-K340 WeakPolarHBondContact OD1-CB 3.46Å; N239-K340 PolarHBondContact OD1-N 2.62Å
240	K	78.8	Confident	79.7	Confident	76 Å²	76	67.9 Å²	67.9	33%	0.33	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-62.2	-171.8	-170.1	175.7	-175.3	178	0	113.7	E233 Y238 I242 D264	E233-K240 HydrophobicContact CG-CD 4.46Å; E233-K240 WeakPolarHBondContact OE1-CD 3.26Å; E233-K240 WeakPolarHBondContact OE1-CE 3.49Å; E233-K240 IonicContact OE1-NZ 2.74Å; E233-K240 PolarHBondContact OE1-NZ 2.93Å; Y238-K240 HydrophobicContact CD1-CB 4.36Å; Y238-K240 HydrophobicContact CE1-CB 3.6Å; Y238-K240 HydrophobicContact CE1-CD 4.46Å; Y238-K240 HydrophobicContact CE1-CG 4.03Å; K240-I242 PolarHBondContact O-N 3.43Å; K240-D264 WeakPolarHBondContact O-CB 3.31Å
241	H	74.8	Confident	81.6	Confident	146 Å²	146	60.6 Å²	60.6	68%	0.676	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	53.9	-173.5	-58.6	-56.6	0	0	0	112
242	I	86.2	Confident	83	Confident	7 Å²	7	63.1 Å²	63.1	4%	0.036	29%	0.294	C	S	.	.			trans	-110.5	127.3	171.7	-159.3	171.5	0	0	0	110.5	N239 K240 E246 A247 L250 M261 R263 K340	N239-I242 HydrophobicContact CB-CB 4.17Å; N239-I242 HydrophobicContact CB-CG2 3.65Å; N239-I242 WeakPolarHBondContact O-CG2 3.5Å; K240-I242 PolarHBondContact O-N 3.43Å; I242-E246 HydrophobicContact CD1-CB 3.89Å; I242-E246 HydrophobicContact CG1-CB 3.38Å; I242-E246 HydrophobicContact CG1-CG 4.46Å; I242-A247 HydrophobicContact CD1-CB 4.23Å; I242-A247 HydrophobicContact CG1-CB 4.41Å; I242-A247 HydrophobicContact CG2-CB 4.31Å; I242-L250 HydrophobicContact CD1-CD1 3.39Å; I242-L250 HydrophobicContact CD1-CG 4.3Å; I242-M261 HydrophobicContact CD1-CE 4.38Å; I242-M261 HydrophobicContact CD1-SD 3.89Å; I242-M261 HydrophobicContact CG2-SD 4.13Å; I242-R263 HydrophobicContact CG2-CB 3.44Å; I242-R263 VanDerWaalsContact CG2-CB 3.44Å; I242-R263 HydrophobicContact CG2-CG 4.21Å; I242-R263 WeakPolarHBondContact O-CD 3.3Å; I242-K340 HydrophobicContact CD1-CD 4.23Å; I242-K340 HydrophobicContact CG1-CD 4.32Å
243	S	88.9	Confident	84.2	Confident	53 Å²	53	70.8 Å²	70.8	37%	0.371	33%	0.327	S	S	.	.			trans	-69.2	164.2	173.3	68.7	0	0	0	0	110.9	W245 E246 A247	S243-W245 PolarHBondContact O-N 2.93Å; S243-E246 VanDerWaalsContact CB-OE2 3.25Å; S243-E246 WeakPolarHBondContact CB-OE2 3.28Å; S243-E246 PolarHBondContact N-OE2 3.09Å; S243-E246 PolarHBondContact O-N 3.06Å; S243-E246 VanDerWaalsContact OG-CG 3.29Å; S243-E246 WeakPolarHBondContact OG-CG 3.16Å; S243-E246 PolarHBondContact OG-N 2.62Å; S243-E246 PolarHBondContact OG-OE2 2.77Å; S243-A247 WeakPolarHBondContact O-CB 3.44Å; S243-A247 PolarHBondContact O-N 3.46Å
244	R	89.2	Confident	85.3	Confident	143 Å²	143	68.9 Å²	68.9	54%	0.54	32%	0.318	S	S	.	.	H	α-helix	trans	-56.1	-42.9	173.9	179.3	177.9	172.6	171.2	-1.4	111.7	A247 E248 H292	R244-A247 PolarHBondContact O-N 3.03Å; R244-E248 IonicContact CZ-OE1 3.13Å; R244-E248 IonicContact NE-OE1 3.85Å; R244-E248 PolarHBondContact NE-OE1 2.7Å; R244-E248 IonicContact NH2-OE1 2.79Å; R244-E248 VanDerWaalsContact O-CG 3.31Å; R244-E248 WeakPolarHBondContact O-CG 3.19Å; R244-E248 PolarHBondContact O-N 3.43Å; R244-H292 PolarHBondContact NE-CD2 2.87Å; R244-H292 VanDerWaalsContact NE-CD2 3.35Å; R244-H292 PolarHBondContact NE-NE2 2.94Å
245	W	89.8	Confident	86.3	Confident	181 Å²	181	66.4 Å²	66.4	69%	0.686	32%	0.316	S	S	*	.	H	α-helix	trans	-64.9	-49.7	-179.2	174.2	-96.6	0	0	0	112.2	S243 A247 E248 E249	S243-W245 PolarHBondContact O-N 2.93Å; W245-A247 VanDerWaalsContact C-N 3.26Å; W245-A247 PolarHBondContact O-N 3.34Å; W245-E248 WeakPolarHBondContact O-CB 3.35Å; W245-E248 PolarHBondContact O-N 2.57Å; W245-E248 VanDerWaalsContact O-N 3.08Å; W245-E249 PolarHBondContact O-N 2.76Å
246	E	90.1	Very high	86.9	Confident	60 Å²	60	66.3 Å²	66.3	28%	0.28	32%	0.316	S	S	.	.	H	α-helix	trans	-61.9	-36.3	177.2	-69.6	165.3	113.8	0	0	111.6	I242 S243 E249 L250 K340	I242-E246 HydrophobicContact CD1-CB 3.89Å; I242-E246 HydrophobicContact CG1-CB 3.38Å; I242-E246 HydrophobicContact CG1-CG 4.46Å; S243-E246 VanDerWaalsContact CB-OE2 3.25Å; S243-E246 WeakPolarHBondContact CB-OE2 3.28Å; S243-E246 PolarHBondContact N-OE2 3.09Å; S243-E246 PolarHBondContact O-N 3.06Å; S243-E246 VanDerWaalsContact OG-CG 3.29Å; S243-E246 WeakPolarHBondContact OG-CG 3.16Å; S243-E246 PolarHBondContact OG-N 2.62Å; S243-E246 PolarHBondContact OG-OE2 2.77Å; E246-E249 PolarHBondContact O-N 3.25Å; E246-L250 WeakPolarHBondContact O-CG 3.45Å; E246-L250 PolarHBondContact O-N 3.41Å; E246-K340 IonicContact OE1-NZ 2.71Å; E246-K340 PolarHBondContact OE1-NZ 2.98Å; E246-K340 IonicContact OE2-NZ 2.7Å
247	A	91.4	Very high	87.2	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65	-41.3	174.1	0	0	0	0	0	111.7	I242 S243 R244 W245 L251 M261	I242-A247 HydrophobicContact CD1-CB 4.23Å; I242-A247 HydrophobicContact CG1-CB 4.41Å; I242-A247 HydrophobicContact CG2-CB 4.31Å; S243-A247 WeakPolarHBondContact O-CB 3.44Å; S243-A247 PolarHBondContact O-N 3.46Å; R244-A247 PolarHBondContact O-N 3.03Å; W245-A247 VanDerWaalsContact C-N 3.26Å; W245-A247 PolarHBondContact O-N 3.34Å; A247-L251 VanDerWaalsContact O-CB 3.22Å; A247-L251 WeakPolarHBondContact O-CB 3.5Å; A247-L251 WeakPolarHBondContact O-CD1 3.47Å; A247-L251 WeakPolarHBondContact O-CG 3.44Å; A247-L251 PolarHBondContact O-N 2.92Å; A247-M261 HydrophobicContact CB-SD 3.61Å
248	E	93.3	Very high	87.1	Confident	42 Å²	42	64.7 Å²	64.7	20%	0.196	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-45.9	174	-72.1	174.3	-172	0	0	110.7	R244 W245 L251 L252 V290 H292	R244-E248 IonicContact CZ-OE1 3.13Å; R244-E248 IonicContact NE-OE1 3.85Å; R244-E248 PolarHBondContact NE-OE1 2.7Å; R244-E248 IonicContact NH2-OE1 2.79Å; R244-E248 VanDerWaalsContact O-CG 3.31Å; R244-E248 WeakPolarHBondContact O-CG 3.19Å; R244-E248 PolarHBondContact O-N 3.43Å; W245-E248 WeakPolarHBondContact O-CB 3.35Å; W245-E248 PolarHBondContact O-N 2.57Å; W245-E248 VanDerWaalsContact O-N 3.08Å; E248-L251 PolarHBondContact O-N 3.38Å; E248-L252 WeakPolarHBondContact O-CB 3.26Å; E248-L252 WeakPolarHBondContact O-CD1 3.2Å; E248-L252 WeakPolarHBondContact O-CG 3.43Å; E248-L252 PolarHBondContact O-N 3.02Å; E248-V290 HydrophobicContact CG-CB 4.06Å; E248-V290 HydrophobicContact CG-CG1 4.23Å; E248-H292 IonicContact OE1-CD2 3.55Å; E248-H292 IonicContact OE1-CE1 2.76Å; E248-H292 IonicContact OE1-NE2 2.65Å; E248-H292 PolarHBondContact OE1-NE2 2.88Å
249	E	91.8	Very high	87.3	Confident	118 Å²	118	63.6 Å²	63.6	55%	0.551	29%	0.294	S	S	*	.	H	α-helix	trans	-61.6	-49.9	178.9	-173.1	178.4	-171.5	0	0	112.9	W245 E246 L251 L252 K253	W245-E249 PolarHBondContact O-N 2.76Å; E246-E249 PolarHBondContact O-N 3.25Å; E249-L251 PolarHBondContact O-N 3.12Å; E249-L252 PolarHBondContact O-N 2.74Å; E249-K253 VanDerWaalsContact O-CB 3.27Å; E249-K253 WeakPolarHBondContact O-CB 3.31Å; E249-K253 PolarHBondContact O-N 3.26Å
250	L	91.4	Very high	87.8	Confident	47 Å²	47	63 Å²	63	25%	0.246	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-42.5	179.1	-71.4	-178.1	0	0	0	112.1	I242 E246 K253 E254 M261 V338 K340	I242-L250 HydrophobicContact CD1-CD1 3.39Å; I242-L250 HydrophobicContact CD1-CG 4.3Å; E246-L250 WeakPolarHBondContact O-CG 3.45Å; E246-L250 PolarHBondContact O-N 3.41Å; L250-K253 PolarHBondContact O-N 3.2Å; L250-E254 PolarHBondContact O-N 2.91Å; L250-M261 HydrophobicContact CB-CE 4.11Å; L250-M261 HydrophobicContact CD1-CE 4.13Å; L250-V338 HydrophobicContact CB-CG1 4.4Å; L250-K340 HydrophobicContact CD1-CB 4.05Å; L250-K340 HydrophobicContact CD1-CG 4.1Å
251	L	92	Very high	88.5	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-71.5	-36.7	-179.8	-72	175.1	0	0	0	112.4	A247 E248 E249 K253 E254 G255 A259 M261 F276 V290 V338	A247-L251 VanDerWaalsContact O-CB 3.22Å; A247-L251 WeakPolarHBondContact O-CB 3.5Å; A247-L251 WeakPolarHBondContact O-CD1 3.47Å; A247-L251 WeakPolarHBondContact O-CG 3.44Å; A247-L251 PolarHBondContact O-N 2.92Å; E248-L251 PolarHBondContact O-N 3.38Å; E249-L251 PolarHBondContact O-N 3.12Å; L251-K253 VanDerWaalsContact C-N 3.34Å; L251-E254 PolarHBondContact O-N 2.83Å; L251-G255 PolarHBondContact O-N 3.41Å; L251-G255 VanDerWaalsContact O-N 3.08Å; L251-A259 HydrophobicContact CD2-CB 4.07Å; L251-M261 HydrophobicContact CD1-CG 4.17Å; L251-M261 HydrophobicContact CD2-CE 4.2Å; L251-M261 HydrophobicContact CG-CE 4.13Å; L251-M261 HydrophobicContact CG-CG 4.45Å; L251-F276 HydrophobicContact CB-CB 4.24Å; L251-F276 VanDerWaalsContact O-CD2 3.3Å; L251-F276 WeakPolarHBondContact O-CD2 3.17Å; L251-V290 HydrophobicContact CB-CG2 3.81Å; L251-V290 HydrophobicContact CD1-CG1 3.7Å; L251-V290 HydrophobicContact CD1-CG2 4.31Å; L251-V338 HydrophobicContact CD2-CB 4.02Å; L251-V338 HydrophobicContact CD2-CG2 3.75Å
252	L	89.5	Confident	89.3	Confident	82 Å²	82	52.4 Å²	52.4	43%	0.429	24%	0.243	S	C	.	.	H	α-helix	trans	-66.4	-37.8	172.7	-75.1	168.1	0	0	0	111.4	E248 E249 G255 F276 V290	E248-L252 WeakPolarHBondContact O-CB 3.26Å; E248-L252 WeakPolarHBondContact O-CD1 3.2Å; E248-L252 WeakPolarHBondContact O-CG 3.43Å; E248-L252 PolarHBondContact O-N 3.02Å; E249-L252 PolarHBondContact O-N 2.74Å; L252-G255 PolarHBondContact O-N 2.93Å; L252-F276 HydrophobicContact CD2-CD2 4.11Å; L252-F276 HydrophobicContact CD2-CE2 3.85Å; L252-V290 HydrophobicContact CD2-CG2 4.49Å; L252-V290 HydrophobicContact CG-CG2 4.18Å
253	K	87.9	Confident	89.5	Confident	181 Å²	181	53 Å²	53	79%	0.787	25%	0.245	S	C	*	.	H	α-helix	trans	-64.9	-40.8	174.4	-175.2	-178	177.8	-175	0	111.9	E249 L250 L251	E249-K253 VanDerWaalsContact O-CB 3.27Å; E249-K253 WeakPolarHBondContact O-CB 3.31Å; E249-K253 PolarHBondContact O-N 3.26Å; L250-K253 PolarHBondContact O-N 3.2Å; L251-K253 VanDerWaalsContact C-N 3.34Å
254	E	87.6	Confident	89.3	Confident	74 Å²	74	52.7 Å²	52.7	35%	0.346	24%	0.239	S	C	.	.	H	α-helix	trans	-63.1	-42	174.8	-172.2	63.8	-157	0	0	111.2	L250 L251 K256 A259 V338	L250-E254 PolarHBondContact O-N 2.91Å; L251-E254 PolarHBondContact O-N 2.83Å; E254-K256 HydrophobicContact CG-CB 4.3Å; E254-K256 HydrophobicContact CG-CD 4.29Å; E254-K256 HydrophobicContact CG-CG 4.24Å; E254-K256 PolarHBondContact O-N 3.39Å; E254-K256 VanDerWaalsContact OE1-CD 3.28Å; E254-K256 WeakPolarHBondContact OE1-CD 3.45Å; E254-K256 WeakPolarHBondContact OE1-CE 3.37Å; E254-K256 IonicContact OE1-NZ 2.69Å; E254-K256 PolarHBondContact OE1-NZ 3.49Å; E254-A259 HydrophobicContact CB-CB 4.4Å; E254-A259 HydrophobicContact CG-CB 3.95Å; E254-V338 HydrophobicContact CB-CG2 4.27Å; E254-V338 HydrophobicContact CG-CG2 3.97Å
255	G	82.3	Confident	88.8	Confident	23 Å²	23	47.5 Å²	47.5	24%	0.237	23%	0.225	C	C	.	.			trans	66.9	7.6	169.9	0	0	0	0	0	115.9	L251 L252 F276 K278	L251-G255 PolarHBondContact O-N 3.41Å; L251-G255 VanDerWaalsContact O-N 3.08Å; L252-G255 PolarHBondContact O-N 2.93Å; G255-F276 WeakPolarHBondContact O-CE1 3.44Å; G255-K278 WeakPolarHBondContact O-CE 3.34Å; G255-K278 PolarHBondContact O-NZ 2.89Å
256	K	82.5	Confident	88	Confident	48 Å²	48	51 Å²	51	21%	0.209	24%	0.238	C	C	.	.			trans	-92.9	133.3	179.4	-63.9	179.6	-173.5	163.7	0	111.6	E254 G258 A259 F276 E400	E254-K256 HydrophobicContact CG-CB 4.3Å; E254-K256 HydrophobicContact CG-CD 4.29Å; E254-K256 HydrophobicContact CG-CG 4.24Å; E254-K256 PolarHBondContact O-N 3.39Å; E254-K256 VanDerWaalsContact OE1-CD 3.28Å; E254-K256 WeakPolarHBondContact OE1-CD 3.45Å; E254-K256 WeakPolarHBondContact OE1-CE 3.37Å; E254-K256 IonicContact OE1-NZ 2.69Å; E254-K256 PolarHBondContact OE1-NZ 3.49Å; K256-G258 PolarHBondContact O-N 2.85Å; K256-A259 HydrophobicContact CB-CB 4.34Å; K256-A259 WeakPolarHBondContact O-CB 3.48Å; K256-A259 PolarHBondContact O-N 3.37Å; K256-F276 WeakPolarHBondContact O-CD1 3.31Å; K256-E400 IonicContact NZ-OE1 3.59Å; K256-E400 IonicContact NZ-OE2 3.81Å; K256-E400 PolarHBondContact NZ-OE2 2.77Å
257	E	84.3	Confident	87	Confident	42 Å²	42	54 Å²	54	20%	0.196	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	128.2	179.8	-179	63.3	-153.1	0	0	110.7	A259 T277 K278 T332 R335	E257-A259 PolarHBondContact O-N 3.13Å; E257-T277 PolarHBondContact OE1-OG1 3.49Å; E257-T277 WeakPolarHBondContact OE2-CA 3.4Å; E257-K278 WeakPolarHBondContact OE2-CB 3.35Å; E257-K278 PolarHBondContact OE2-N 3.49Å; E257-T332 WeakPolarHBondContact OE1-CB 3.33Å; E257-T332 PolarHBondContact OE1-OG1 2.89Å; E257-R335 WeakPolarHBondContact O-CD 3.2Å
258	G	85.6	Confident	85.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	10.2	-178.9	0	0	0	0	0	114.6	K256 F260 F276 R335 H336	K256-G258 PolarHBondContact O-N 2.85Å; G258-F260 PolarHBondContact O-N 2.99Å; G258-F276 PolarHBondContact N-O 3.31Å; G258-R335 PolarHBondContact O-N 3.12Å; G258-H336 PolarHBondContact O-N 3.37Å
259	A	90.9	Very high	84.4	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.315	C	S	.	.			trans	-56.4	133.4	164.5	0	0	0	0	0	109.6	L251 E254 K256 E257 V275 F276 H336 V338	L251-A259 HydrophobicContact CD2-CB 4.07Å; E254-A259 HydrophobicContact CB-CB 4.4Å; E254-A259 HydrophobicContact CG-CB 3.95Å; K256-A259 HydrophobicContact CB-CB 4.34Å; K256-A259 WeakPolarHBondContact O-CB 3.48Å; K256-A259 PolarHBondContact O-N 3.37Å; E257-A259 PolarHBondContact O-N 3.13Å; A259-V275 CarbonylContact O-C 3.54Å; A259-V275 VanDerWaalsContact O-CA 3.32Å; A259-V275 WeakPolarHBondContact O-CA 3.48Å; A259-F276 HydrophobicContact CB-CB 4.2Å; A259-F276 PolarHBondContact O-N 2.89Å; A259-H336 CarbonylContact C-O 3.58Å; A259-H336 VanDerWaalsContact CA-O 3.28Å; A259-H336 WeakPolarHBondContact CA-O 3.32Å; A259-H336 HydrophobicContact CB-CB 4.3Å; A259-V338 HydrophobicContact CB-CG2 4.04Å
260	F	95.3	Very high	83.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	160.7	-170.7	80.9	-77.5	0	0	0	113.5	W237 G258 V273 S274 V275 I320 Q324 L334 H336 A337 V338	W237-F260 HydrophobicContact CB-CD2 4.41Å; W237-F260 HydrophobicContact CB-CE2 3.61Å; W237-F260 HydrophobicContact CB-CZ 3.88Å; W237-F260 HydrophobicContact CG-CE2 4.05Å; W237-F260 HydrophobicContact CG-CZ 4.28Å; G258-F260 PolarHBondContact O-N 2.99Å; F260-V273 HydrophobicContact CD2-CG1 4.43Å; F260-S274 CarbonylContact C-O 3.56Å; F260-S274 WeakPolarHBondContact CA-O 3.37Å; F260-S274 WeakPolarHBondContact CB-O 3.44Å; F260-V275 HydrophobicContact CB-CB 4.22Å; F260-V275 HydrophobicContact CB-CG2 4.21Å; F260-I320 HydrophobicContact CE2-CG2 3.69Å; F260-I320 HydrophobicContact CZ-CG2 3.98Å; F260-Q324 HydrophobicContact CE1-CG 4.3Å; F260-Q324 HydrophobicContact CZ-CG 4.06Å; F260-L334 HydrophobicContact CB-CB 4.48Å; F260-L334 HydrophobicContact CB-CD2 3.75Å; F260-L334 HydrophobicContact CD1-CB 3.61Å; F260-L334 HydrophobicContact CD1-CD2 4.47Å; F260-L334 HydrophobicContact CD2-CB 4.06Å; F260-L334 HydrophobicContact CD2-CD1 3.91Å; F260-L334 HydrophobicContact CD2-CD2 4.07Å; F260-L334 HydrophobicContact CD2-CG 4.22Å; F260-L334 HydrophobicContact CE1-CB 3.72Å; F260-L334 HydrophobicContact CE2-CB 4.16Å; F260-L334 HydrophobicContact CE2-CD1 3.99Å; F260-L334 HydrophobicContact CG-CB 3.78Å; F260-L334 HydrophobicContact CG-CD1 4.39Å; F260-L334 HydrophobicContact CG-CD2 3.85Å; F260-L334 HydrophobicContact CG-CG 4.2Å; F260-L334 HydrophobicContact CZ-CB 4Å; F260-H336 VanDerWaalsContact CD1-O 3.3Å; F260-H336 WeakPolarHBondContact CD1-O 3.5Å; F260-H336 PolarHBondContact N-O 3.32Å; F260-A337 HydrophobicContact CE1-CB 4.1Å; F260-A337 HydrophobicContact CZ-CB 4.16Å; F260-V338 PolarHBondContact O-N 3.05Å
261	M	94.3	Very high	83.6	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	155.7	168.7	56.5	178.4	59	0	0	111	W237 N239 I242 A247 L250 L251 V273 S274 V338	W237-M261 CarbonylContact O-C 3.56Å; W237-M261 WeakPolarHBondContact O-CA 3.35Å; N239-M261 HydrophobicContact CB-SD 4.43Å; N239-M261 WeakPolarHBondContact ND2-CB 3.38Å; I242-M261 HydrophobicContact CD1-CE 4.38Å; I242-M261 HydrophobicContact CD1-SD 3.89Å; I242-M261 HydrophobicContact CG2-SD 4.13Å; A247-M261 HydrophobicContact CB-SD 3.61Å; L250-M261 HydrophobicContact CB-CE 4.11Å; L250-M261 HydrophobicContact CD1-CE 4.13Å; L251-M261 HydrophobicContact CD1-CG 4.17Å; L251-M261 HydrophobicContact CD2-CE 4.2Å; L251-M261 HydrophobicContact CG-CE 4.13Å; L251-M261 HydrophobicContact CG-CG 4.45Å; M261-V273 WeakPolarHBondContact O-CA 3.35Å; M261-S274 PolarHBondContact N-O 3.49Å; M261-S274 PolarHBondContact O-N 2.97Å; M261-V338 HydrophobicContact CE-CB 3.74Å; M261-V338 HydrophobicContact CE-CG1 3.56Å
262	V	91.9	Very high	83.5	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.2	170.5	-172.4	0	0	0	0	108.4	W237 Y238 N239 T272 V273 I295 I320	W237-V262 HydrophobicContact CD2-CG2 4.11Å; W237-V262 HydrophobicContact CE3-CB 3.5Å; W237-V262 VanDerWaalsContact CE3-CB 3.5Å; W237-V262 HydrophobicContact CE3-CG1 4.43Å; W237-V262 HydrophobicContact CE3-CG2 3.22Å; W237-V262 HydrophobicContact CZ3-CB 3.62Å; W237-V262 HydrophobicContact CZ3-CG1 4.06Å; W237-V262 HydrophobicContact CZ3-CG2 3.5Å; W237-V262 VanDerWaalsContact CZ3-CG2 3.5Å; W237-V262 PolarHBondContact O-N 2.67Å; Y238-V262 CarbonylContact C-O 3.58Å; Y238-V262 WeakPolarHBondContact CA-O 3.44Å; Y238-V262 HydrophobicContact CD2-CB 4.21Å; Y238-V262 HydrophobicContact CD2-CG1 4.2Å; Y238-V262 WeakPolarHBondContact CD2-O 3.43Å; N239-V262 PolarHBondContact N-O 3.26Å; V262-T272 WeakPolarHBondContact CA-O 3.41Å; V262-V273 HydrophobicContact CG2-CG2 4.16Å; V262-I295 HydrophobicContact CG1-CD1 4.14Å; V262-I320 HydrophobicContact CG2-CD1 3.5Å; V262-I320 VanDerWaalsContact CG2-CD1 3.5Å; V262-I320 HydrophobicContact CG2-CG1 3.99Å
263	R	89.8	Confident	83.7	Confident	20 Å²	20	55.7 Å²	55.7	8%	0.075	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	159.8	-179.8	59.8	176.2	178.7	72.6	1.5	111.6	N239 I242 T272 S274 H292	N239-R263 WeakPolarHBondContact O-CA 3.22Å; N239-R263 WeakPolarHBondContact O-CB 3.42Å; I242-R263 HydrophobicContact CG2-CB 3.44Å; I242-R263 VanDerWaalsContact CG2-CB 3.44Å; I242-R263 HydrophobicContact CG2-CG 4.21Å; I242-R263 WeakPolarHBondContact O-CD 3.3Å; R263-T272 PolarHBondContact N-O 3.44Å; R263-T272 PolarHBondContact O-N 3.1Å; R263-S274 PolarHBondContact NE-OG 3.32Å; R263-S274 VanDerWaalsContact NE-OG 3.16Å; R263-H292 PolarHBondContact NH2-ND1 2.78Å
264	D	83.9	Confident	84.1	Confident	45 Å²	45	47 Å²	47	24%	0.241	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	140.5	170.6	-67.7	-7.5	0	0	0	109.7	Y238 K240 Y271	Y238-D264 PolarHBondContact OH-OD1 3.41Å; Y238-D264 PolarHBondContact OH-OD2 3.33Å; K240-D264 WeakPolarHBondContact O-CB 3.31Å; D264-Y271 VanDerWaalsContact OD1-CE1 3.28Å; D264-Y271 WeakPolarHBondContact OD1-CE1 3.42Å
265	S	79.1	Confident	84.4	Confident	34 Å²	34	43.5 Å²	43.5	24%	0.238	22%	0.22	C	C	.	.			trans	-80.4	168.5	166.6	-167.8	0	0	0	0	109.9	Q267 V270	S265-Q267 PolarHBondContact O-N 3.25Å; S265-V270 WeakPolarHBondContact CB-O 3.28Å; S265-V270 PolarHBondContact N-O 3.17Å
266	R	74	Confident	84.8	Confident	254 Å²	254	42.6 Å²	42.6	96%	0.958	21%	0.21	S	C	*	.	S	Bend	trans	-62.8	-25.3	171.8	-67.1	-178.6	-179.6	176.1	-0.9	112.2
267	Q	69.4	Low	85	Confident	123 Å²	123	40.3 Å²	40.3	58%	0.575	20%	0.2	S	C	*	.	S	Bend	trans	-86.6	128.8	175	-69.7	177.2	-14.5	0	0	109.9	S265 G269 V270	S265-Q267 PolarHBondContact O-N 3.25Å; Q267-G269 PolarHBondContact O-N 3.09Å; Q267-V270 HydrophobicContact CB-CB 4.08Å; Q267-V270 HydrophobicContact CB-CG2 3.83Å; Q267-V270 WeakPolarHBondContact O-CB 3.24Å; Q267-V270 PolarHBondContact O-N 3.45Å
268	M	64.9	Low	84.9	Confident	198 Å²	198	44.1 Å²	44.1	98%	0.975	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	130.8	-179.8	-159.7	179.6	-138.6	0	0	110.7	V270	M268-V270 VanDerWaalsContact C-N 3.3Å; M268-V270 PolarHBondContact O-N 3.05Å
269	G	64.4	Low	84.1	Confident	53 Å²	53	45.2 Å²	45.2	55%	0.546	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	8.7	-179.5	0	0	0	0	0	115.2	Q267	Q267-G269 PolarHBondContact O-N 3.09Å
270	V	78.3	Confident	82.8	Confident	30 Å²	30	50 Å²	50	18%	0.182	26%	0.256	C	S	.	.			trans	-110.1	135.9	174.4	176.5	0	0	0	0	109.4	S265 Q267 M268 Q294	S265-V270 WeakPolarHBondContact CB-O 3.28Å; S265-V270 PolarHBondContact N-O 3.17Å; Q267-V270 HydrophobicContact CB-CB 4.08Å; Q267-V270 HydrophobicContact CB-CG2 3.83Å; Q267-V270 WeakPolarHBondContact O-CB 3.24Å; Q267-V270 PolarHBondContact O-N 3.45Å; M268-V270 VanDerWaalsContact C-N 3.3Å; M268-V270 PolarHBondContact O-N 3.05Å; V270-Q294 HydrophobicContact CG1-CG 3.69Å
271	Y	87.3	Confident	81.1	Confident	34 Å²	34	50.9 Å²	50.9	13%	0.133	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	152.2	-178.2	-57.7	-83.6	0	0	0	111.1	F232 Y238 D264 I295 I316	F232-Y271 HydrophobicContact CD2-CD1 4.38Å; F232-Y271 AromaticContact CD2-CE1 3.7Å; F232-Y271 HydrophobicContact CD2-CE1 3.7Å; F232-Y271 AromaticContact CD2-CZ 3.96Å; F232-Y271 HydrophobicContact CE2-CD1 4.24Å; F232-Y271 AromaticContact CE2-CE1 3.56Å; F232-Y271 HydrophobicContact CE2-CE1 3.56Å; F232-Y271 AromaticContact CE2-CE2 3.9Å; F232-Y271 HydrophobicContact CE2-CE2 3.9Å; F232-Y271 AromaticContact CE2-CZ 3.38Å; F232-Y271 WeakPolarHBondContact CE2-OH 3.42Å; Y238-Y271 HydrophobicContact CE2-CD1 4.08Å; Y238-Y271 HydrophobicContact CE2-CE1 4.13Å; D264-Y271 VanDerWaalsContact OD1-CE1 3.28Å; D264-Y271 WeakPolarHBondContact OD1-CE1 3.42Å; Y271-I295 PolarHBondContact O-N 2.82Å; Y271-I316 HydrophobicContact CD2-CD1 3.26Å; Y271-I316 HydrophobicContact CE2-CD1 3.79Å; Y271-I316 HydrophobicContact CG-CD1 3.8Å
272	T	90.9	Very high	79.4	Confident	10 Å²	10	56.1 Å²	56.1	6%	0.061	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.7	178.5	-55.4	0	0	0	0	110.4	V262 R263 H292 Y293	V262-T272 WeakPolarHBondContact CA-O 3.41Å; R263-T272 PolarHBondContact N-O 3.44Å; R263-T272 PolarHBondContact O-N 3.1Å; T272-H292 HydrophobicContact CG2-CB 3.91Å; T272-Y293 CarbonylContact C-O 3.54Å; T272-Y293 WeakPolarHBondContact CA-O 3.42Å
273	V	94.1	Very high	77.7	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	122.9	167.5	-174.8	0	0	0	0	108.5	F260 M261 V262 H292 Y293 I295 L307 I320 L334	F260-V273 HydrophobicContact CD2-CG1 4.43Å; M261-V273 WeakPolarHBondContact O-CA 3.35Å; V262-V273 HydrophobicContact CG2-CG2 4.16Å; V273-H292 CarbonylContact O-C 3.52Å; V273-H292 WeakPolarHBondContact O-CA 3.35Å; V273-Y293 PolarHBondContact N-O 3.45Å; V273-Y293 PolarHBondContact O-N 2.8Å; V273-I295 HydrophobicContact CG2-CD1 3.75Å; V273-I295 HydrophobicContact CG2-CG1 3.89Å; V273-L307 HydrophobicContact CB-CD1 4.38Å; V273-L307 HydrophobicContact CB-CD2 4.48Å; V273-L307 HydrophobicContact CG2-CD1 3.91Å; V273-L307 HydrophobicContact CG2-CD2 4.01Å; V273-I320 HydrophobicContact CG2-CD1 3.73Å; V273-L334 HydrophobicContact CG1-CD1 4.19Å; V273-L334 HydrophobicContact CG1-CD2 3.83Å
274	S	94.6	Very high	76	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.1	174	-52.3	0	0	0	0	108.1	F260 M261 R263 K291 H292	F260-S274 CarbonylContact C-O 3.56Å; F260-S274 WeakPolarHBondContact CA-O 3.37Å; F260-S274 WeakPolarHBondContact CB-O 3.44Å; M261-S274 PolarHBondContact N-O 3.49Å; M261-S274 PolarHBondContact O-N 2.97Å; R263-S274 PolarHBondContact NE-OG 3.32Å; R263-S274 VanDerWaalsContact NE-OG 3.16Å; S274-K291 CarbonylContact C-O 3.48Å; S274-K291 WeakPolarHBondContact CA-O 3.49Å; S274-H292 WeakPolarHBondContact CB-ND1 3.13Å; S274-H292 PolarHBondContact OG-ND1 3.31Å
275	V	94.1	Very high	74.9	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	131.5	-173.9	63.8	0	0	0	0	111.5	A259 F260 V290 K291 Y293 I331 T332 L334	A259-V275 CarbonylContact O-C 3.54Å; A259-V275 VanDerWaalsContact O-CA 3.32Å; A259-V275 WeakPolarHBondContact O-CA 3.48Å; F260-V275 HydrophobicContact CB-CB 4.22Å; F260-V275 HydrophobicContact CB-CG2 4.21Å; V275-V290 CarbonylContact O-C 3.57Å; V275-V290 WeakPolarHBondContact O-CA 2.94Å; V275-K291 HydrophobicContact CG1-CB 4.17Å; V275-K291 PolarHBondContact N-O 3.26Å; V275-K291 PolarHBondContact O-N 2.8Å; V275-Y293 HydrophobicContact CG1-CD2 3.96Å; V275-Y293 HydrophobicContact CG1-CE2 3.51Å; V275-I331 HydrophobicContact CG1-CG2 4.26Å; V275-T332 HydrophobicContact CG2-CG2 3.73Å; V275-L334 HydrophobicContact CB-CD2 4.25Å; V275-L334 HydrophobicContact CG2-CD2 4.09Å
276	F	92.2	Very high	74.1	Confident	3 Å²	3	75.3 Å²	75.3	1%	0.013	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	143.3	176	176.6	-85.7	0	0	0	111.6	L251 L252 G255 K256 G258 A259 K278 P288 V290	L251-F276 HydrophobicContact CB-CB 4.24Å; L251-F276 VanDerWaalsContact O-CD2 3.3Å; L251-F276 WeakPolarHBondContact O-CD2 3.17Å; L252-F276 HydrophobicContact CD2-CD2 4.11Å; L252-F276 HydrophobicContact CD2-CE2 3.85Å; G255-F276 WeakPolarHBondContact O-CE1 3.44Å; K256-F276 WeakPolarHBondContact O-CD1 3.31Å; G258-F276 PolarHBondContact N-O 3.31Å; A259-F276 HydrophobicContact CB-CB 4.2Å; A259-F276 PolarHBondContact O-N 2.89Å; F276-K278 HydrophobicContact CE1-CD 4.34Å; F276-K278 HydrophobicContact CE1-CG 3.64Å; F276-K278 HydrophobicContact CZ-CG 4.06Å; F276-P288 HydrophobicContact CE1-CB 4.36Å; F276-P288 HydrophobicContact CE2-CB 3.59Å; F276-P288 HydrophobicContact CE2-CG 4.22Å; F276-P288 HydrophobicContact CZ-CB 3.4Å; F276-P288 VanDerWaalsContact CZ-CB 3.4Å; F276-P288 HydrophobicContact CZ-CG 4.15Å; F276-V290 HydrophobicContact CB-CG2 4.42Å; F276-V290 HydrophobicContact CD2-CG2 4.29Å
277	T	85.9	Confident	73.9	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	142.4	175.3	-171.5	0	0	0	0	113.1	E257 A279 R289 I331	E257-T277 PolarHBondContact OE1-OG1 3.49Å; E257-T277 WeakPolarHBondContact OE2-CA 3.4Å; T277-A279 WeakPolarHBondContact OG1-CB 3.47Å; T277-A279 PolarHBondContact OG1-N 3.35Å; T277-A279 VanDerWaalsContact OG1-N 3.15Å; T277-R289 HydrophobicContact CG2-CG 3.96Å; T277-R289 PolarHBondContact N-O 2.72Å; T277-R289 PolarHBondContact O-N 3.01Å; T277-I331 HydrophobicContact CG2-CD1 3.72Å; T277-I331 HydrophobicContact CG2-CG1 4.36Å; T277-I331 HydrophobicContact CG2-CG2 4.11Å
278	K	81.3	Confident	74.3	Confident	123 Å²	123	63.9 Å²	63.9	54%	0.535	38%	0.375	S	S	.	.			trans	-94.3	-5.5	171.1	-56.5	-178.3	-178.1	177	0	111.8	G255 E257 F276 P288	G255-K278 WeakPolarHBondContact O-CE 3.34Å; G255-K278 PolarHBondContact O-NZ 2.89Å; E257-K278 WeakPolarHBondContact OE2-CB 3.35Å; E257-K278 PolarHBondContact OE2-N 3.49Å; F276-K278 HydrophobicContact CE1-CD 4.34Å; F276-K278 HydrophobicContact CE1-CG 3.64Å; F276-K278 HydrophobicContact CZ-CG 4.06Å; K278-P288 HydrophobicContact CG-CB 4.43Å
279	A	69.6	Low	75.4	Confident	22 Å²	22	55.8 Å²	55.8	18%	0.182	33%	0.333	C	S	.	.	S	Bend	trans	-62.8	134.5	-174.9	0	0	0	0	0	112	T277 G281 N287 R289 I331	T277-A279 WeakPolarHBondContact OG1-CB 3.47Å; T277-A279 PolarHBondContact OG1-N 3.35Å; T277-A279 VanDerWaalsContact OG1-N 3.15Å; A279-G281 PolarHBondContact O-N 3.46Å; A279-N287 PolarHBondContact O-ND2 3.17Å; A279-N287 PolarHBondContact O-OD1 3.19Å; A279-N287 VanDerWaalsContact O-OD1 3.1Å; A279-R289 PolarHBondContact O-NH2 3.37Å; A279-I331 HydrophobicContact CB-CD1 4.49Å; A279-I331 HydrophobicContact CB-CG1 4.49Å
280	P	64.3	Low	76.6	Confident	101 Å²	101	54.1 Å²	54.1	66%	0.656	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-49.6	138.8	180	-25.8	32.4	0	0	0	112.7	N287 R289	P280-N287 VanDerWaalsContact CA-ND2 3.32Å; P280-N287 WeakPolarHBondContact CA-ND2 3.1Å; P280-R289 PolarHBondContact O-NH2 3.49Å
281	G	58.8	Low	77.2	Confident	19 Å²	19	55.3 Å²	55.3	20%	0.196	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-78.7	131.4	173.8	0	0	0	0	0	110	A279 N283 N287 R289	A279-G281 PolarHBondContact O-N 3.46Å; G281-N283 PolarHBondContact O-N 2.88Å; G281-N283 VanDerWaalsContact O-N 3.13Å; G281-N287 PolarHBondContact N-ND2 2.88Å; G281-R289 VanDerWaalsContact CA-NH2 3.31Å
282	S	57.9	Low	77.4	Confident	109 Å²	109	55.8 Å²	55.8	76%	0.762	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.4	174.4	5.4	0	0	0	0	113.1
283	N	55.9	Low	77.5	Confident	141 Å²	141	57.6 Å²	57.6	75%	0.754	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.5	29.3	-170	-60.8	-2	0	0	0	113.8	G281 E285	G281-N283 PolarHBondContact O-N 2.88Å; G281-N283 VanDerWaalsContact O-N 3.13Å; N283-E285 VanDerWaalsContact C-N 3.3Å; N283-E285 PolarHBondContact O-N 3.09Å
284	G	56.1	Low	77.3	Confident	75 Å²	75	61.9 Å²	61.9	77%	0.773	34%	0.344	S	S	*	.			trans	73	16.1	178.3	0	0	0	0	0	115.4
285	E	60.8	Low	77	Confident	91 Å²	91	62.3 Å²	62.3	43%	0.425	35%	0.347	S	S	.	.			trans	-62	137.7	171	-74.5	-178.3	-155.5	0	0	110.8	N283 N287 R289 K291	N283-E285 VanDerWaalsContact C-N 3.3Å; N283-E285 PolarHBondContact O-N 3.09Å; E285-N287 PolarHBondContact O-N 3.34Å; E285-R289 VanDerWaalsContact CD-NH1 3.3Å; E285-R289 WeakPolarHBondContact OE2-CD 3.47Å; E285-R289 IonicContact OE2-CZ 3.31Å; E285-R289 IonicContact OE2-NE 2.65Å; E285-R289 IonicContact OE2-NH1 3.96Å; E285-R289 PolarHBondContact OE2-NH1 3.35Å; E285-K291 IonicContact OE1-NZ 3.86Å; E285-K291 PolarHBondContact OE1-NZ 2.59Å; E285-K291 IonicContact OE2-NZ 2.99Å; E285-K291 PolarHBondContact OE2-NZ 2.82Å
286	K	62.2	Low	76.6	Confident	195 Å²	195	68.2 Å²	68.2	85%	0.848	37%	0.369	S	S	*	.			trans	-60.6	132.6	175.2	-67	-177.1	179.1	-178.3	0	109.7
287	N	68.3	Low	76	Confident	64 Å²	64	74.3 Å²	74.3	34%	0.342	39%	0.392	S	S	.	.	S	Bend	trans	-116.1	150.1	170.8	-67.2	-53.6	0	0	0	109.8	A279 P280 G281 E285 R289	A279-N287 PolarHBondContact O-ND2 3.17Å; A279-N287 PolarHBondContact O-OD1 3.19Å; A279-N287 VanDerWaalsContact O-OD1 3.1Å; P280-N287 VanDerWaalsContact CA-ND2 3.32Å; P280-N287 WeakPolarHBondContact CA-ND2 3.1Å; G281-N287 PolarHBondContact N-ND2 2.88Å; E285-N287 PolarHBondContact O-N 3.34Å; N287-R289 WeakPolarHBondContact OD1-CD 2.98Å; N287-R289 PolarHBondContact OD1-NE 3.21Å; N287-R289 VanDerWaalsContact OD1-NE 3.12Å
288	P	78.7	Confident	75.7	Confident	74 Å²	74	75.4 Å²	75.4	48%	0.481	40%	0.399	S	S	.	.	S	Bend	cis	-69	158.5	-2.8	29.9	-35.8	0	0	0	113.6	F276 K278	F276-P288 HydrophobicContact CE1-CB 4.36Å; F276-P288 HydrophobicContact CE2-CB 3.59Å; F276-P288 HydrophobicContact CE2-CG 4.22Å; F276-P288 HydrophobicContact CZ-CB 3.4Å; F276-P288 VanDerWaalsContact CZ-CB 3.4Å; F276-P288 HydrophobicContact CZ-CG 4.15Å; K278-P288 HydrophobicContact CG-CB 4.43Å
289	R	87.1	Confident	75.3	Confident	28 Å²	28	77.5 Å²	77.5	11%	0.106	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	170.5	-178.5	67.6	-172.9	161.3	179.2	-8.7	112.6	T277 A279 P280 G281 E285 N287	T277-R289 HydrophobicContact CG2-CG 3.96Å; T277-R289 PolarHBondContact N-O 2.72Å; T277-R289 PolarHBondContact O-N 3.01Å; A279-R289 PolarHBondContact O-NH2 3.37Å; P280-R289 PolarHBondContact O-NH2 3.49Å; G281-R289 VanDerWaalsContact CA-NH2 3.31Å; E285-R289 VanDerWaalsContact CD-NH1 3.3Å; E285-R289 WeakPolarHBondContact OE2-CD 3.47Å; E285-R289 IonicContact OE2-CZ 3.31Å; E285-R289 IonicContact OE2-NE 2.65Å; E285-R289 IonicContact OE2-NH1 3.96Å; E285-R289 PolarHBondContact OE2-NH1 3.35Å; N287-R289 WeakPolarHBondContact OD1-CD 2.98Å; N287-R289 PolarHBondContact OD1-NE 3.21Å; N287-R289 VanDerWaalsContact OD1-NE 3.12Å
290	V	90.8	Very high	75.3	Confident	17 Å²	17	80.6 Å²	80.6	10%	0.103	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.4	174.1	177.4	0	0	0	0	109.9	E248 L251 L252 V275 F276	E248-V290 HydrophobicContact CG-CB 4.06Å; E248-V290 HydrophobicContact CG-CG1 4.23Å; L251-V290 HydrophobicContact CB-CG2 3.81Å; L251-V290 HydrophobicContact CD1-CG1 3.7Å; L251-V290 HydrophobicContact CD1-CG2 4.31Å; L252-V290 HydrophobicContact CD2-CG2 4.49Å; L252-V290 HydrophobicContact CG-CG2 4.18Å; V275-V290 CarbonylContact O-C 3.57Å; V275-V290 WeakPolarHBondContact O-CA 2.94Å; F276-V290 HydrophobicContact CB-CG2 4.42Å; F276-V290 HydrophobicContact CD2-CG2 4.29Å
291	K	91.1	Very high	74.9	Confident	56 Å²	56	85.5 Å²	85.5	24%	0.243	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	146.1	172.6	-71.8	-68	-178.9	-170.2	0	109.8	S274 V275 E285 Y293 I331	S274-K291 CarbonylContact C-O 3.48Å; S274-K291 WeakPolarHBondContact CA-O 3.49Å; V275-K291 HydrophobicContact CG1-CB 4.17Å; V275-K291 PolarHBondContact N-O 3.26Å; V275-K291 PolarHBondContact O-N 2.8Å; E285-K291 IonicContact OE1-NZ 3.86Å; E285-K291 PolarHBondContact OE1-NZ 2.59Å; E285-K291 IonicContact OE2-NZ 2.99Å; E285-K291 PolarHBondContact OE2-NZ 2.82Å; K291-Y293 HydrophobicContact CB-CE2 3.74Å; K291-I331 HydrophobicContact CB-CG2 4.39Å; K291-I331 HydrophobicContact CG-CD1 4.28Å; K291-I331 HydrophobicContact CG-CG2 4.22Å
292	H	91.3	Very high	75.2	Confident	44 Å²	44	93.2 Å²	93.2	20%	0.204	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.3	-179.8	-54.5	-83.2	0	0	0	110	R244 E248 R263 T272 V273 S274	R244-H292 PolarHBondContact NE-CD2 2.87Å; R244-H292 VanDerWaalsContact NE-CD2 3.35Å; R244-H292 PolarHBondContact NE-NE2 2.94Å; E248-H292 IonicContact OE1-CD2 3.55Å; E248-H292 IonicContact OE1-CE1 2.76Å; E248-H292 IonicContact OE1-NE2 2.65Å; E248-H292 PolarHBondContact OE1-NE2 2.88Å; R263-H292 PolarHBondContact NH2-ND1 2.78Å; T272-H292 HydrophobicContact CG2-CB 3.91Å; V273-H292 CarbonylContact O-C 3.52Å; V273-H292 WeakPolarHBondContact O-CA 3.35Å; S274-H292 WeakPolarHBondContact CB-ND1 3.13Å; S274-H292 PolarHBondContact OG-ND1 3.31Å
293	Y	91.9	Very high	75.6	Confident	48 Å²	48	94.6 Å²	94.6	19%	0.188	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.9	179.3	-59.3	-90.5	0	0	0	109.3	T272 V273 V275 K291 L330 I331	T272-Y293 CarbonylContact C-O 3.54Å; T272-Y293 WeakPolarHBondContact CA-O 3.42Å; V273-Y293 PolarHBondContact N-O 3.45Å; V273-Y293 PolarHBondContact O-N 2.8Å; V275-Y293 HydrophobicContact CG1-CD2 3.96Å; V275-Y293 HydrophobicContact CG1-CE2 3.51Å; K291-Y293 HydrophobicContact CB-CE2 3.74Å; Y293-L330 HydrophobicContact CD1-CD2 3.54Å; Y293-L330 HydrophobicContact CD2-CD2 3.9Å; Y293-L330 HydrophobicContact CE1-CD2 3.65Å; Y293-L330 HydrophobicContact CE2-CD2 4.01Å; Y293-L330 HydrophobicContact CG-CD2 3.67Å; Y293-I331 WeakPolarHBondContact OH-CB 3.45Å; Y293-I331 WeakPolarHBondContact OH-CG2 3.46Å; Y293-I331 PolarHBondContact OH-N 3.45Å
294	Q	90.2	Very high	76.7	Confident	89 Å²	89	88.7 Å²	88.7	42%	0.416	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	129	176.9	-172.8	176.3	-3.9	0	0	109.5	V270 R296	V270-Q294 HydrophobicContact CG1-CG 3.69Å; Q294-R296 PolarHBondContact O-N 3.18Å
295	I	88.5	Confident	77.9	Confident	10 Å²	10	87.2 Å²	87.2	5%	0.051	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	113.3	171.4	-62.6	167.3	0	0	0	107.2	V262 Y271 V273 F305 L307 I316 L319	V262-I295 HydrophobicContact CG1-CD1 4.14Å; Y271-I295 PolarHBondContact O-N 2.82Å; V273-I295 HydrophobicContact CG2-CD1 3.75Å; V273-I295 HydrophobicContact CG2-CG1 3.89Å; I295-F305 HydrophobicContact CG2-CB 4.1Å; I295-F305 HydrophobicContact CG2-CD1 4.02Å; I295-L307 HydrophobicContact CB-CD2 4.39Å; I295-L307 HydrophobicContact CG1-CD2 3.6Å; I295-L307 HydrophobicContact CG1-CG 4.35Å; I295-I316 HydrophobicContact CD1-CD1 4.26Å; I295-I316 HydrophobicContact CD1-CG1 4.48Å; I295-I316 HydrophobicContact CD1-CG2 3.79Å; I295-I316 HydrophobicContact CG2-CD1 4.23Å; I295-I316 HydrophobicContact CG2-CG1 4.19Å; I295-L319 HydrophobicContact CG2-CD1 4Å
296	R	84.9	Confident	79	Confident	124 Å²	124	84.3 Å²	84.3	47%	0.468	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	157.2	177.8	-67.3	-174.1	178.7	-175.1	-0.5	110	Q294 F305 Y306 E309	Q294-R296 PolarHBondContact O-N 3.18Å; R296-F305 CarbonylContact O-C 3.55Å; R296-F305 VanDerWaalsContact O-CA 3.3Å; R296-F305 WeakPolarHBondContact O-CA 3.34Å; R296-Y306 HydrophobicContact CB-CD1 4Å; R296-Y306 HydrophobicContact CB-CD2 4.08Å; R296-Y306 HydrophobicContact CB-CE1 3.48Å; R296-Y306 VanDerWaalsContact CB-CE1 3.48Å; R296-Y306 HydrophobicContact CB-CE2 3.59Å; R296-Y306 HydrophobicContact CB-CG 4.29Å; R296-Y306 VanDerWaalsContact CD-OH 3.3Å; R296-Y306 WeakPolarHBondContact CD-OH 3.35Å; R296-Y306 HydrophobicContact CG-CE2 4.12Å; R296-Y306 PolarHBondContact N-O 3.43Å; R296-Y306 PolarHBondContact O-N 2.88Å; R296-E309 IonicContact NH1-OE1 3.27Å; R296-E309 PolarHBondContact NH1-OE1 2.76Å
297	R	81.1	Confident	80.1	Confident	130 Å²	130	76.1 Å²	76.1	49%	0.491	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.2	176.9	-169.8	176.4	68	-162.4	-3	108.6	K303 A304 F305	R297-K303 HydrophobicContact CG-CB 4.44Å; R297-A304 CarbonylContact C-O 3.56Å; R297-A304 VanDerWaalsContact CA-O 3.24Å; R297-A304 WeakPolarHBondContact CA-O 3.46Å; R297-F305 HydrophobicContact CB-CD1 4.42Å; R297-F305 HydrophobicContact CG-CD1 4.43Å; R297-F305 HydrophobicContact CG-CE1 4.28Å
298	T	79.6	Confident	80.6	Confident	24 Å²	24	74.2 Å²	74.2	15%	0.147	35%	0.354	C	S	.	.			trans	-72.6	147.7	174.5	59.8	0	0	0	0	111.1	T300 K302 A304 Y306 L312	T298-T300 WeakPolarHBondContact CB-OG1 3.44Å; T298-T300 PolarHBondContact O-N 3.47Å; T298-T300 PolarHBondContact OG1-OG1 3.41Å; T298-K302 PolarHBondContact OG1-O 2.71Å; T298-A304 HydrophobicContact CG2-CB 4.19Å; T298-A304 PolarHBondContact N-O 2.85Å; T298-A304 PolarHBondContact OG1-N 3.49Å; T298-Y306 HydrophobicContact CG2-CD1 4.23Å; T298-Y306 HydrophobicContact CG2-CE1 4.16Å; T298-L312 HydrophobicContact CG2-CD1 4.48Å; T298-L312 HydrophobicContact CG2-CD2 3.74Å
299	D	72.3	Confident	80.3	Confident	166 Å²	166	77 Å²	77	89%	0.888	36%	0.36	S	S	*	.			trans	-88	20	176.4	-64.2	-34.1	0	0	0	112.7
300	T	70.6	Confident	79.7	Confident	87 Å²	87	82.8 Å²	82.8	53%	0.534	39%	0.386	S	S	.	.	S	Bend	trans	-89.6	160.1	-178.9	49.4	0	0	0	0	112.4	T298 K302	T298-T300 WeakPolarHBondContact CB-OG1 3.44Å; T298-T300 PolarHBondContact O-N 3.47Å; T298-T300 PolarHBondContact OG1-OG1 3.41Å; T300-K302 CarbonylContact O-C 3.53Å; T300-K302 PolarHBondContact O-N 3.27Å; T300-K302 PolarHBondContact OG1-O 3.32Å
301	E	54.6	Low	79.2	Confident	205 Å²	205	84.2 Å²	84.2	96%	0.958	39%	0.39	S	S	*	.	S	Bend	trans	-53.4	-38.5	177.3	-70.3	-176.9	168.7	0	0	113
302	K	65.4	Low	78.8	Confident	181 Å²	181	86.3 Å²	86.3	79%	0.787	40%	0.403	S	S	*	.	S	Bend	trans	-87.6	106.9	165.6	-66.7	-175.5	-179.8	-176.7	0	108.8	T298 T300 A304	T298-K302 PolarHBondContact OG1-O 2.71Å; T300-K302 CarbonylContact O-C 3.53Å; T300-K302 PolarHBondContact O-N 3.27Å; T300-K302 PolarHBondContact OG1-O 3.32Å; K302-A304 PolarHBondContact O-N 3.49Å
303	K	66.3	Low	78.1	Confident	138 Å²	138	85.6 Å²	85.6	60%	0.6	40%	0.4	S	S	*	.			trans	-67.5	119.9	176.1	-68	178.2	-177.2	172.8	0	109.3	R297	R297-K303 HydrophobicContact CG-CB 4.44Å
304	A	78.3	Confident	77.2	Confident	16 Å²	16	86.1 Å²	86.1	13%	0.132	41%	0.41	C	S	.	.			trans	-123.3	150.6	172.6	0	0	0	0	0	110.9	R297 T298 K302 L312 F313	R297-A304 CarbonylContact C-O 3.56Å; R297-A304 VanDerWaalsContact CA-O 3.24Å; R297-A304 WeakPolarHBondContact CA-O 3.46Å; T298-A304 HydrophobicContact CG2-CB 4.19Å; T298-A304 PolarHBondContact N-O 2.85Å; T298-A304 PolarHBondContact OG1-N 3.49Å; K302-A304 PolarHBondContact O-N 3.49Å; A304-L312 HydrophobicContact CB-CB 4.05Å; A304-L312 HydrophobicContact CB-CD2 4.49Å; A304-F313 CarbonylContact C-O 3.52Å; A304-F313 VanDerWaalsContact CA-O 3.25Å; A304-F313 WeakPolarHBondContact CA-O 3.44Å
305	F	81.7	Confident	76.5	Confident	45 Å²	45	83.6 Å²	83.6	20%	0.197	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	146.7	179.3	-59.7	-86.4	0	0	0	111.1	I295 R296 R297 F313 S314 I316 L319	I295-F305 HydrophobicContact CG2-CB 4.1Å; I295-F305 HydrophobicContact CG2-CD1 4.02Å; R296-F305 CarbonylContact O-C 3.55Å; R296-F305 VanDerWaalsContact O-CA 3.3Å; R296-F305 WeakPolarHBondContact O-CA 3.34Å; R297-F305 HydrophobicContact CB-CD1 4.42Å; R297-F305 HydrophobicContact CG-CD1 4.43Å; R297-F305 HydrophobicContact CG-CE1 4.28Å; F305-F313 PolarHBondContact N-O 2.98Å; F305-F313 WeakPolarHBondContact O-CD2 3.31Å; F305-F313 PolarHBondContact O-N 3.3Å; F305-S314 WeakPolarHBondContact CD2-O 3.45Å; F305-S314 WeakPolarHBondContact CE2-O 3.36Å; F305-I316 HydrophobicContact CB-CG1 4.44Å; F305-I316 HydrophobicContact CD1-CD1 4.17Å; F305-I316 HydrophobicContact CD1-CG1 3.79Å; F305-I316 HydrophobicContact CD2-CG1 4.37Å; F305-I316 HydrophobicContact CE1-CD1 4.15Å; F305-I316 HydrophobicContact CE1-CG1 4.06Å; F305-I316 HydrophobicContact CG-CG1 3.95Å; F305-I316 HydrophobicContact CZ-CG1 4.47Å; F305-L319 HydrophobicContact CB-CD1 3.95Å
306	Y	84.6	Confident	76	Confident	30 Å²	30	83.3 Å²	83.3	12%	0.118	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	153.2	176.7	67.6	-87.3	0	0	0	113.3	R296 T298 E309 Y311 L312	R296-Y306 HydrophobicContact CB-CD1 4Å; R296-Y306 HydrophobicContact CB-CD2 4.08Å; R296-Y306 HydrophobicContact CB-CE1 3.48Å; R296-Y306 VanDerWaalsContact CB-CE1 3.48Å; R296-Y306 HydrophobicContact CB-CE2 3.59Å; R296-Y306 HydrophobicContact CB-CG 4.29Å; R296-Y306 VanDerWaalsContact CD-OH 3.3Å; R296-Y306 WeakPolarHBondContact CD-OH 3.35Å; R296-Y306 HydrophobicContact CG-CE2 4.12Å; R296-Y306 PolarHBondContact N-O 3.43Å; R296-Y306 PolarHBondContact O-N 2.88Å; T298-Y306 HydrophobicContact CG2-CD1 4.23Å; T298-Y306 HydrophobicContact CG2-CE1 4.16Å; Y306-E309 HydrophobicContact CD2-CB 4.4Å; Y306-E309 HydrophobicContact CD2-CG 3.9Å; Y306-E309 HydrophobicContact CE2-CB 4.14Å; Y306-E309 HydrophobicContact CE2-CG 3.2Å; Y306-Y311 WeakPolarHBondContact CB-O 3.17Å; Y306-L312 HydrophobicContact CD1-CD2 3.8Å; Y306-L312 HydrophobicContact CG-CD2 4.09Å
307	L	85.6	Confident	75.8	Confident	23 Å²	23	78.9 Å²	78.9	12%	0.12	39%	0.387	C	S	.	.	S	Bend	trans	-102.4	-33.2	165.6	-72.9	176.9	0	0	0	112.1	V273 I295 L319 L330	V273-L307 HydrophobicContact CB-CD1 4.38Å; V273-L307 HydrophobicContact CB-CD2 4.48Å; V273-L307 HydrophobicContact CG2-CD1 3.91Å; V273-L307 HydrophobicContact CG2-CD2 4.01Å; I295-L307 HydrophobicContact CB-CD2 4.39Å; I295-L307 HydrophobicContact CG1-CD2 3.6Å; I295-L307 HydrophobicContact CG1-CG 4.35Å; L307-L319 HydrophobicContact CD1-CD2 3.73Å; L307-L319 HydrophobicContact CG-CD1 4.26Å; L307-L319 HydrophobicContact CG-CD2 3.85Å; L307-L319 HydrophobicContact CG-CG 4.38Å; L307-L330 HydrophobicContact CB-CD2 4.12Å; L307-L330 HydrophobicContact CD1-CD1 3.98Å; L307-L330 HydrophobicContact CD1-CD2 4.06Å
308	A	78.1	Confident	75.3	Confident	24 Å²	24	76 Å²	76	20%	0.198	38%	0.379	C	S	.	.	S	Bend	trans	-125	127.6	172.2	0	0	0	0	0	107.9	K310 Y311	A308-K310 PolarHBondContact O-N 2.69Å; A308-Y311 HydrophobicContact CB-CD2 4.4Å; A308-Y311 PolarHBondContact O-N 2.78Å
309	E	71.8	Confident	75.5	Confident	131 Å²	131	74.8 Å²	74.8	61%	0.612	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-21.8	-169.7	-73.7	176.1	-177.7	0	0	114.6	R296 Y306 Y311	R296-E309 IonicContact NH1-OE1 3.27Å; R296-E309 PolarHBondContact NH1-OE1 2.76Å; Y306-E309 HydrophobicContact CD2-CB 4.4Å; Y306-E309 HydrophobicContact CD2-CG 3.9Å; Y306-E309 HydrophobicContact CE2-CB 4.14Å; Y306-E309 HydrophobicContact CE2-CG 3.2Å; E309-Y311 VanDerWaalsContact C-N 3.31Å; E309-Y311 PolarHBondContact O-N 2.93Å
310	K	75.4	Confident	76.2	Confident	151 Å²	151	66.9 Å²	66.9	66%	0.657	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-21.8	178.4	-166.6	179	176.4	-161	0	113.8	A308	A308-K310 PolarHBondContact O-N 2.69Å
311	Y	79.4	Confident	76.5	Confident	46 Å²	46	66.4 Å²	66.4	18%	0.18	32%	0.324	C	S	.	.			trans	-124.5	108.5	-172.9	-54.6	-76	0	0	0	110.9	Y306 A308 E309 F313 Y322 A328	Y306-Y311 WeakPolarHBondContact CB-O 3.17Å; A308-Y311 HydrophobicContact CB-CD2 4.4Å; A308-Y311 PolarHBondContact O-N 2.78Å; E309-Y311 VanDerWaalsContact C-N 3.31Å; E309-Y311 PolarHBondContact O-N 2.93Å; Y311-F313 WeakPolarHBondContact O-CE2 3.25Å; Y311-Y322 HydrophobicContact CD1-CE1 4.28Å; Y311-Y322 AromaticContact CD1-CZ 3.94Å; Y311-Y322 WeakPolarHBondContact CD1-OH 3.28Å; Y311-Y322 HydrophobicContact CD2-CE1 4.49Å; Y311-Y322 VanDerWaalsContact CE1-OH 3.23Å; Y311-Y322 WeakPolarHBondContact CE1-OH 3.48Å; Y311-Y322 HydrophobicContact CG-CE1 4.14Å; Y311-A328 HydrophobicContact CD2-CB 3.92Å; Y311-A328 HydrophobicContact CE2-CB 3.65Å
312	L	82.4	Confident	77.7	Confident	100 Å²	100	57.6 Å²	57.6	52%	0.524	28%	0.282	S	S	.	.			trans	-106.3	133.5	-175.6	-60.9	178.3	0	0	0	110.7	T298 A304 Y306	T298-L312 HydrophobicContact CG2-CD1 4.48Å; T298-L312 HydrophobicContact CG2-CD2 3.74Å; A304-L312 HydrophobicContact CB-CB 4.05Å; A304-L312 HydrophobicContact CB-CD2 4.49Å; Y306-L312 HydrophobicContact CD1-CD2 3.8Å; Y306-L312 HydrophobicContact CG-CD2 4.09Å
313	F	78.5	Confident	78.5	Confident	30 Å²	30	49 Å²	49	13%	0.132	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-126.3	150.6	-176.8	-55.6	-80.4	0	0	0	111.6	A304 F305 Y311 E318 L319 Y322	A304-F313 CarbonylContact C-O 3.52Å; A304-F313 VanDerWaalsContact CA-O 3.25Å; A304-F313 WeakPolarHBondContact CA-O 3.44Å; F305-F313 PolarHBondContact N-O 2.98Å; F305-F313 WeakPolarHBondContact O-CD2 3.31Å; F305-F313 PolarHBondContact O-N 3.3Å; Y311-F313 WeakPolarHBondContact O-CE2 3.25Å; F313-E318 HydrophobicContact CB-CB 4.3Å; F313-E318 HydrophobicContact CD1-CB 4.41Å; F313-L319 HydrophobicContact CB-CB 3.91Å; F313-L319 HydrophobicContact CD2-CB 3.46Å; F313-L319 VanDerWaalsContact CD2-CB 3.46Å; F313-L319 HydrophobicContact CD2-CD1 4.02Å; F313-L319 HydrophobicContact CD2-CG 3.73Å; F313-L319 HydrophobicContact CE2-CB 4.15Å; F313-L319 HydrophobicContact CE2-CG 4.12Å; F313-L319 HydrophobicContact CG-CB 3.71Å; F313-L319 HydrophobicContact CG-CG 4.48Å; F313-Y322 HydrophobicContact CE1-CD1 4.01Å; F313-Y322 HydrophobicContact CE1-CD2 4.02Å; F313-Y322 AromaticContact CE1-CG 3.58Å; F313-Y322 HydrophobicContact CE1-CG 3.58Å; F313-Y322 HydrophobicContact CE2-CD1 4.2Å; F313-Y322 AromaticContact CZ-CD1 3.32Å; F313-Y322 HydrophobicContact CZ-CD1 3.32Å; F313-Y322 HydrophobicContact CZ-CD2 4.1Å; F313-Y322 AromaticContact CZ-CE1 3.91Å; F313-Y322 HydrophobicContact CZ-CE1 3.91Å; F313-Y322 AromaticContact CZ-CG 3.41Å; F313-Y322 HydrophobicContact CZ-CG 3.41Å; F313-Y322 VanDerWaalsContact CZ-CG 3.41Å
314	S	72.3	Confident	79.2	Confident	58 Å²	58	45.1 Å²	45.1	41%	0.406	23%	0.228	S	C	.	.	S	Bend	trans	-75.2	-29.7	179.7	73.6	0	0	0	0	111.8	F305 E318	F305-S314 WeakPolarHBondContact CD2-O 3.45Å; F305-S314 WeakPolarHBondContact CE2-O 3.36Å; S314-E318 PolarHBondContact N-OE2 2.87Å; S314-E318 VanDerWaalsContact OG-CD 3.24Å; S314-E318 PolarHBondContact OG-OE1 3.21Å; S314-E318 PolarHBondContact OG-OE2 3.09Å
315	T	74.3	Confident	78.9	Confident	37 Å²	37	46.7 Å²	46.7	23%	0.227	23%	0.233	C	C	.	.	S	Bend	trans	-136.6	158	-179.6	71.2	0	0	0	0	112.8	E318 L319	T315-E318 PolarHBondContact O-N 3.12Å; T315-E318 WeakPolarHBondContact OG1-CG 3.46Å; T315-E318 PolarHBondContact OG1-N 2.87Å; T315-L319 PolarHBondContact O-N 3.19Å
316	I	79.2	Confident	78.5	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-62.5	-42.5	174.3	-64.7	-178.6	0	0	0	112.2	F232 W237 Y271 I295 F305 E318 L319 I320	F232-I316 HydrophobicContact CE1-CB 4.08Å; F232-I316 HydrophobicContact CE1-CG2 4.43Å; F232-I316 HydrophobicContact CE2-CD1 4.27Å; F232-I316 HydrophobicContact CZ-CB 4.08Å; F232-I316 HydrophobicContact CZ-CD1 3.83Å; F232-I316 HydrophobicContact CZ-CG1 4.33Å; W237-I316 HydrophobicContact CH2-CG2 4.23Å; Y271-I316 HydrophobicContact CD2-CD1 3.26Å; Y271-I316 HydrophobicContact CE2-CD1 3.79Å; Y271-I316 HydrophobicContact CG-CD1 3.8Å; I295-I316 HydrophobicContact CD1-CD1 4.26Å; I295-I316 HydrophobicContact CD1-CG1 4.48Å; I295-I316 HydrophobicContact CD1-CG2 3.79Å; I295-I316 HydrophobicContact CG2-CD1 4.23Å; I295-I316 HydrophobicContact CG2-CG1 4.19Å; F305-I316 HydrophobicContact CB-CG1 4.44Å; F305-I316 HydrophobicContact CD1-CD1 4.17Å; F305-I316 HydrophobicContact CD1-CG1 3.79Å; F305-I316 HydrophobicContact CD2-CG1 4.37Å; F305-I316 HydrophobicContact CE1-CD1 4.15Å; F305-I316 HydrophobicContact CE1-CG1 4.06Å; F305-I316 HydrophobicContact CG-CG1 3.95Å; F305-I316 HydrophobicContact CZ-CG1 4.47Å; I316-E318 VanDerWaalsContact C-N 3.34Å; I316-E318 PolarHBondContact O-N 3.49Å; I316-L319 WeakPolarHBondContact O-CB 3.49Å; I316-L319 PolarHBondContact O-N 2.81Å; I316-I320 HydrophobicContact CG2-CG1 4.15Å; I316-I320 WeakPolarHBondContact O-CG1 3.37Å; I316-I320 PolarHBondContact O-N 3.06Å
317	P	79.5	Confident	78.2	Confident	31 Å²	31	43.7 Å²	43.7	20%	0.201	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-39	176	-27.2	37.7	0	0	0	113.8	F232 F235 W237 I320 N321	F232-P317 HydrophobicContact CE1-CG 4.29Å; F235-P317 HydrophobicContact CD2-CG 4.49Å; F235-P317 HydrophobicContact CE1-CB 4.28Å; F235-P317 HydrophobicContact CE2-CB 4.24Å; F235-P317 HydrophobicContact CE2-CG 3.6Å; F235-P317 HydrophobicContact CZ-CB 3.78Å; F235-P317 HydrophobicContact CZ-CG 3.61Å; W237-P317 HydrophobicContact CH2-CG 4.42Å; W237-P317 HydrophobicContact CZ2-CB 4.32Å; W237-P317 HydrophobicContact CZ2-CG 4.32Å; P317-I320 PolarHBondContact O-N 3.37Å; P317-N321 WeakPolarHBondContact O-CB 3.43Å; P317-N321 PolarHBondContact O-N 2.79Å
318	E	72.4	Confident	77.7	Confident	68 Å²	68	43.1 Å²	43.1	32%	0.318	22%	0.221	S	C	.	.	H	α-helix	trans	-61.5	-44.6	173.3	-76.3	179.5	170	0	0	111.7	F313 S314 T315 I316 I320 N321 Y322	F313-E318 HydrophobicContact CB-CB 4.3Å; F313-E318 HydrophobicContact CD1-CB 4.41Å; S314-E318 PolarHBondContact N-OE2 2.87Å; S314-E318 VanDerWaalsContact OG-CD 3.24Å; S314-E318 PolarHBondContact OG-OE1 3.21Å; S314-E318 PolarHBondContact OG-OE2 3.09Å; T315-E318 PolarHBondContact O-N 3.12Å; T315-E318 WeakPolarHBondContact OG1-CG 3.46Å; T315-E318 PolarHBondContact OG1-N 2.87Å; I316-E318 VanDerWaalsContact C-N 3.34Å; I316-E318 PolarHBondContact O-N 3.49Å; E318-I320 PolarHBondContact O-N 2.67Å; E318-N321 PolarHBondContact O-N 2.94Å; E318-Y322 WeakPolarHBondContact O-CB 3.38Å; E318-Y322 PolarHBondContact O-N 2.86Å
319	L	83.9	Confident	77.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.6	-46.5	175.2	172.5	163.9	0	0	0	111.5	I295 F305 L307 F313 T315 I316 Y322 H323	I295-L319 HydrophobicContact CG2-CD1 4Å; F305-L319 HydrophobicContact CB-CD1 3.95Å; L307-L319 HydrophobicContact CD1-CD2 3.73Å; L307-L319 HydrophobicContact CG-CD1 4.26Å; L307-L319 HydrophobicContact CG-CD2 3.85Å; L307-L319 HydrophobicContact CG-CG 4.38Å; F313-L319 HydrophobicContact CB-CB 3.91Å; F313-L319 HydrophobicContact CD2-CB 3.46Å; F313-L319 VanDerWaalsContact CD2-CB 3.46Å; F313-L319 HydrophobicContact CD2-CD1 4.02Å; F313-L319 HydrophobicContact CD2-CG 3.73Å; F313-L319 HydrophobicContact CE2-CB 4.15Å; F313-L319 HydrophobicContact CE2-CG 4.12Å; F313-L319 HydrophobicContact CG-CB 3.71Å; F313-L319 HydrophobicContact CG-CG 4.48Å; T315-L319 PolarHBondContact O-N 3.19Å; I316-L319 WeakPolarHBondContact O-CB 3.49Å; I316-L319 PolarHBondContact O-N 2.81Å; L319-Y322 PolarHBondContact O-N 2.84Å; L319-H323 PolarHBondContact O-CD2 3.25Å; L319-H323 PolarHBondContact O-N 2.86Å
320	I	85.1	Confident	78.1	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-48.2	178.4	-64.5	-60.3	0	0	0	110.1	W237 F260 V262 V273 I316 P317 E318 Y322 H323 Q324 L334	W237-I320 HydrophobicContact CD2-CG2 4.27Å; W237-I320 HydrophobicContact CG-CG2 4.38Å; W237-I320 HydrophobicContact CH2-CG1 4.2Å; W237-I320 HydrophobicContact CZ2-CB 4.35Å; W237-I320 HydrophobicContact CZ2-CG1 4.21Å; W237-I320 HydrophobicContact CZ2-CG2 4.46Å; W237-I320 HydrophobicContact CZ3-CG1 4.41Å; F260-I320 HydrophobicContact CE2-CG2 3.69Å; F260-I320 HydrophobicContact CZ-CG2 3.98Å; V262-I320 HydrophobicContact CG2-CD1 3.5Å; V262-I320 VanDerWaalsContact CG2-CD1 3.5Å; V262-I320 HydrophobicContact CG2-CG1 3.99Å; V273-I320 HydrophobicContact CG2-CD1 3.73Å; I316-I320 HydrophobicContact CG2-CG1 4.15Å; I316-I320 WeakPolarHBondContact O-CG1 3.37Å; I316-I320 PolarHBondContact O-N 3.06Å; P317-I320 PolarHBondContact O-N 3.37Å; E318-I320 PolarHBondContact O-N 2.67Å; I320-Y322 VanDerWaalsContact C-N 3.31Å; I320-Y322 PolarHBondContact O-N 3.21Å; I320-H323 CarbonylContact O-C 3.57Å; I320-H323 PolarHBondContact O-N 3.43Å; I320-H323 VanDerWaalsContact O-N 3.09Å; I320-Q324 HydrophobicContact CG2-CG 4.33Å; I320-Q324 WeakPolarHBondContact O-CG 3.24Å; I320-Q324 PolarHBondContact O-N 3.28Å; I320-L334 HydrophobicContact CD1-CD1 3.94Å; I320-L334 HydrophobicContact CG2-CD1 4.27Å
321	N	78.6	Confident	78.4	Confident	76 Å²	76	34.7 Å²	34.7	41%	0.406	20%	0.2	S	C	.	.	H	α-helix	trans	-57.9	-42.7	178.3	179.9	59.6	0	0	0	112.1	P317 E318 Q324 H325	P317-N321 WeakPolarHBondContact O-CB 3.43Å; P317-N321 PolarHBondContact O-N 2.79Å; E318-N321 PolarHBondContact O-N 2.94Å; N321-Q324 PolarHBondContact O-N 2.91Å; N321-H325 PolarHBondContact O-ND1 2.97Å
322	Y	78	Confident	78.4	Confident	20 Å²	20	32.9 Å²	32.9	8%	0.078	19%	0.193	C	C	.	.	H	α-helix	trans	-60.7	-47.8	174.4	175.8	-93.6	0	0	0	111.4	Y311 F313 E318 L319 I320 Q324 H325 N326 A328 D508	Y311-Y322 HydrophobicContact CD1-CE1 4.28Å; Y311-Y322 AromaticContact CD1-CZ 3.94Å; Y311-Y322 WeakPolarHBondContact CD1-OH 3.28Å; Y311-Y322 HydrophobicContact CD2-CE1 4.49Å; Y311-Y322 VanDerWaalsContact CE1-OH 3.23Å; Y311-Y322 WeakPolarHBondContact CE1-OH 3.48Å; Y311-Y322 HydrophobicContact CG-CE1 4.14Å; F313-Y322 HydrophobicContact CE1-CD1 4.01Å; F313-Y322 HydrophobicContact CE1-CD2 4.02Å; F313-Y322 AromaticContact CE1-CG 3.58Å; F313-Y322 HydrophobicContact CE1-CG 3.58Å; F313-Y322 HydrophobicContact CE2-CD1 4.2Å; F313-Y322 AromaticContact CZ-CD1 3.32Å; F313-Y322 HydrophobicContact CZ-CD1 3.32Å; F313-Y322 HydrophobicContact CZ-CD2 4.1Å; F313-Y322 AromaticContact CZ-CE1 3.91Å; F313-Y322 HydrophobicContact CZ-CE1 3.91Å; F313-Y322 AromaticContact CZ-CG 3.41Å; F313-Y322 HydrophobicContact CZ-CG 3.41Å; F313-Y322 VanDerWaalsContact CZ-CG 3.41Å; E318-Y322 WeakPolarHBondContact O-CB 3.38Å; E318-Y322 PolarHBondContact O-N 2.86Å; L319-Y322 PolarHBondContact O-N 2.84Å; I320-Y322 VanDerWaalsContact C-N 3.31Å; I320-Y322 PolarHBondContact O-N 3.21Å; Y322-Q324 PolarHBondContact O-N 3.37Å; Y322-H325 PolarHBondContact O-N 3.4Å; Y322-H325 VanDerWaalsContact O-N 3.09Å; Y322-N326 HydrophobicContact CD1-CB 4.37Å; Y322-N326 HydrophobicContact CE1-CB 3.95Å; Y322-N326 HydrophobicContact CE2-CB 4.36Å; Y322-N326 VanDerWaalsContact CE2-ND2 3.25Å; Y322-N326 WeakPolarHBondContact CE2-ND2 3.45Å; Y322-N326 PolarHBondContact O-N 2.86Å; Y322-A328 HydrophobicContact CE1-CB 3.46Å; Y322-A328 VanDerWaalsContact CE1-CB 3.46Å; Y322-D508 HydrophobicContact CE2-CB 4.22Å; Y322-D508 WeakPolarHBondContact CE2-OD2 3.49Å; Y322-D508 PolarHBondContact OH-OD2 3.4Å
323	H	83.1	Confident	78.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-72.7	-12.9	-179.1	-76.4	-65.6	0	0	0	114.6	L319 I320 H325 N326 A327 L330 L334	L319-H323 PolarHBondContact O-CD2 3.25Å; L319-H323 PolarHBondContact O-N 2.86Å; I320-H323 CarbonylContact O-C 3.57Å; I320-H323 PolarHBondContact O-N 3.43Å; I320-H323 VanDerWaalsContact O-N 3.09Å; H323-H325 VanDerWaalsContact C-N 3.34Å; H323-N326 CarbonylContact C-O 3.51Å; H323-N326 WeakPolarHBondContact CA-O 3.47Å; H323-N326 PolarHBondContact ND1-O 3.03Å; H323-A327 PolarHBondContact ND1-O 3.49Å; H323-L330 HydrophobicContact CB-CD1 3.91Å; H323-L334 HydrophobicContact CB-CD1 3.65Å; H323-L334 HydrophobicContact CB-CG 3.94Å; H323-L334 PolarHBondContact O-N 3.2Å
324	Q	80.5	Confident	78.9	Confident	57 Å²	57	28.3 Å²	28.3	27%	0.266	17%	0.168	S	C	.	.	H	α-helix	trans	-70.5	-33.9	168.2	-73	177.4	-67.5	0	0	112.4	F260 I320 N321 Y322 L334	F260-Q324 HydrophobicContact CE1-CG 4.3Å; F260-Q324 HydrophobicContact CZ-CG 4.06Å; I320-Q324 HydrophobicContact CG2-CG 4.33Å; I320-Q324 WeakPolarHBondContact O-CG 3.24Å; I320-Q324 PolarHBondContact O-N 3.28Å; N321-Q324 PolarHBondContact O-N 2.91Å; Y322-Q324 PolarHBondContact O-N 3.37Å; Q324-L334 WeakPolarHBondContact CA-O 3.28Å; Q324-L334 WeakPolarHBondContact CB-O 3.32Å; Q324-L334 HydrophobicContact CG-CB 3.86Å; Q324-L334 WeakPolarHBondContact CG-O 3.43Å
325	H	71.8	Confident	79.4	Confident	50 Å²	50	28.2 Å²	28.2	23%	0.231	16%	0.159	C	C	.	.	H	α-helix	trans	-88.1	-35.7	177.3	-61.8	86.5	0	0	0	111.5	N321 Y322 H323 F505 L507	N321-H325 PolarHBondContact O-ND1 2.97Å; Y322-H325 PolarHBondContact O-N 3.4Å; Y322-H325 VanDerWaalsContact O-N 3.09Å; H323-H325 VanDerWaalsContact C-N 3.34Å; H325-F505 AromaticContact CD2-CD1 3.67Å; H325-F505 AromaticContact CD2-CE1 3.92Å; H325-L507 HydrophobicContact CB-CD1 4.1Å; H325-L507 HydrophobicContact CB-CG 4.18Å
326	N	73.6	Confident	79.9	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.011	15%	0.152	C	C	.	.			trans	-126.2	127	-170.1	-66.3	-41.4	0	0	0	113.3	Y322 H323 A328 V506 D508 Q510	Y322-N326 HydrophobicContact CD1-CB 4.37Å; Y322-N326 HydrophobicContact CE1-CB 3.95Å; Y322-N326 HydrophobicContact CE2-CB 4.36Å; Y322-N326 VanDerWaalsContact CE2-ND2 3.25Å; Y322-N326 WeakPolarHBondContact CE2-ND2 3.45Å; Y322-N326 PolarHBondContact O-N 2.86Å; H323-N326 CarbonylContact C-O 3.51Å; H323-N326 WeakPolarHBondContact CA-O 3.47Å; H323-N326 PolarHBondContact ND1-O 3.03Å; N326-A328 HydrophobicContact CB-CB 4.09Å; N326-A328 PolarHBondContact O-N 3.41Å; N326-V506 WeakPolarHBondContact OD1-CG1 3.42Å; N326-D508 PolarHBondContact ND2-OD1 3.01Å; N326-Q510 PolarHBondContact OD1-O 3.27Å; N326-Q510 VanDerWaalsContact OD1-O 3.12Å
327	A	77.9	Confident	80.3	Confident	9 Å²	9	29.2 Å²	29.2	7%	0.074	17%	0.168	C	C	.	.			trans	-64.1	-42.9	171.7	0	0	0	0	0	111.1	H323 G329 L330 R333	H323-A327 PolarHBondContact ND1-O 3.49Å; A327-G329 PolarHBondContact O-N 3.16Å; A327-L330 WeakPolarHBondContact O-CB 3.34Å; A327-L330 VanDerWaalsContact O-CG 3.28Å; A327-L330 WeakPolarHBondContact O-CG 3.31Å; A327-L330 PolarHBondContact O-N 2.74Å; A327-R333 HydrophobicContact CB-CB 4.37Å
328	A	76.4	Confident	80.8	Confident	12 Å²	12	28.3 Å²	28.3	10%	0.099	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	39.3	168.7	0	0	0	0	0	115.6	Y311 Y322 N326	Y311-A328 HydrophobicContact CD2-CB 3.92Å; Y311-A328 HydrophobicContact CE2-CB 3.65Å; Y322-A328 HydrophobicContact CE1-CB 3.46Å; Y322-A328 VanDerWaalsContact CE1-CB 3.46Å; N326-A328 HydrophobicContact CB-CB 4.09Å; N326-A328 PolarHBondContact O-N 3.41Å
329	G	75.4	Confident	81.4	Confident	68 Å²	68	27.7 Å²	27.7	70%	0.701	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	104.6	-11.1	-178.4	0	0	0	0	0	114.8	A327	A327-G329 PolarHBondContact O-N 3.16Å
330	L	82.8	Confident	80.8	Confident	14 Å²	14	32.8 Å²	32.8	7%	0.073	19%	0.187	C	C	.	.	S	Bend	trans	-74.7	158.9	166.2	-55.2	-178.7	0	0	0	110.9	Y293 L307 H323 A327 T332 L334	Y293-L330 HydrophobicContact CD1-CD2 3.54Å; Y293-L330 HydrophobicContact CD2-CD2 3.9Å; Y293-L330 HydrophobicContact CE1-CD2 3.65Å; Y293-L330 HydrophobicContact CE2-CD2 4.01Å; Y293-L330 HydrophobicContact CG-CD2 3.67Å; L307-L330 HydrophobicContact CB-CD2 4.12Å; L307-L330 HydrophobicContact CD1-CD1 3.98Å; L307-L330 HydrophobicContact CD1-CD2 4.06Å; H323-L330 HydrophobicContact CB-CD1 3.91Å; A327-L330 WeakPolarHBondContact O-CB 3.34Å; A327-L330 VanDerWaalsContact O-CG 3.28Å; A327-L330 WeakPolarHBondContact O-CG 3.31Å; A327-L330 PolarHBondContact O-N 2.74Å; L330-T332 WeakPolarHBondContact CB-O 3.46Å; L330-T332 PolarHBondContact O-N 3.48Å; L330-L334 HydrophobicContact CD1-CD2 4.19Å; L330-L334 HydrophobicContact CD1-CG 4.33Å
331	I	80.9	Confident	79.4	Confident	47 Å²	47	35.3 Å²	35.3	24%	0.241	21%	0.213	C	C	.	.	S	Bend	trans	-63.6	-32.7	179.2	-167.2	162.4	0	0	0	112.4	V275 T277 A279 K291 Y293	V275-I331 HydrophobicContact CG1-CG2 4.26Å; T277-I331 HydrophobicContact CG2-CD1 3.72Å; T277-I331 HydrophobicContact CG2-CG1 4.36Å; T277-I331 HydrophobicContact CG2-CG2 4.11Å; A279-I331 HydrophobicContact CB-CD1 4.49Å; A279-I331 HydrophobicContact CB-CG1 4.49Å; K291-I331 HydrophobicContact CB-CG2 4.39Å; K291-I331 HydrophobicContact CG-CD1 4.28Å; K291-I331 HydrophobicContact CG-CG2 4.22Å; Y293-I331 WeakPolarHBondContact OH-CB 3.45Å; Y293-I331 WeakPolarHBondContact OH-CG2 3.46Å; Y293-I331 PolarHBondContact OH-N 3.45Å
332	T	79	Confident	77.6	Confident	7 Å²	7	41.2 Å²	41.2	4%	0.043	24%	0.239	C	C	.	.	S	Bend	trans	-152.9	158	175.6	-168	0	0	0	0	107.8	E257 V275 L330	E257-T332 WeakPolarHBondContact OE1-CB 3.33Å; E257-T332 PolarHBondContact OE1-OG1 2.89Å; V275-T332 HydrophobicContact CG2-CG2 3.73Å; L330-T332 WeakPolarHBondContact CB-O 3.46Å; L330-T332 PolarHBondContact O-N 3.48Å
333	R	84.9	Confident	75.8	Confident	34 Å²	34	50.4 Å²	50.4	13%	0.128	27%	0.273	C	S	.	.			trans	-69.3	158.2	173.5	71.4	-179.4	-175.8	161.6	8.9	110.5	A327 R335	A327-R333 HydrophobicContact CB-CB 4.37Å; R333-R335 HydrophobicContact CG-CG 3.8Å; R333-R335 PolarHBondContact O-N 3.42Å
334	L	87.4	Confident	73.3	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	30%	0.302	C	S	.	.			trans	-78.8	108.7	177.8	-53.9	-178.6	0	0	0	109.5	F260 V273 V275 I320 H323 Q324 L330	F260-L334 HydrophobicContact CB-CB 4.48Å; F260-L334 HydrophobicContact CB-CD2 3.75Å; F260-L334 HydrophobicContact CD1-CB 3.61Å; F260-L334 HydrophobicContact CD1-CD2 4.47Å; F260-L334 HydrophobicContact CD2-CB 4.06Å; F260-L334 HydrophobicContact CD2-CD1 3.91Å; F260-L334 HydrophobicContact CD2-CD2 4.07Å; F260-L334 HydrophobicContact CD2-CG 4.22Å; F260-L334 HydrophobicContact CE1-CB 3.72Å; F260-L334 HydrophobicContact CE2-CB 4.16Å; F260-L334 HydrophobicContact CE2-CD1 3.99Å; F260-L334 HydrophobicContact CG-CB 3.78Å; F260-L334 HydrophobicContact CG-CD1 4.39Å; F260-L334 HydrophobicContact CG-CD2 3.85Å; F260-L334 HydrophobicContact CG-CG 4.2Å; F260-L334 HydrophobicContact CZ-CB 4Å; V273-L334 HydrophobicContact CG1-CD1 4.19Å; V273-L334 HydrophobicContact CG1-CD2 3.83Å; V275-L334 HydrophobicContact CB-CD2 4.25Å; V275-L334 HydrophobicContact CG2-CD2 4.09Å; I320-L334 HydrophobicContact CD1-CD1 3.94Å; I320-L334 HydrophobicContact CG2-CD1 4.27Å; H323-L334 HydrophobicContact CB-CD1 3.65Å; H323-L334 HydrophobicContact CB-CG 3.94Å; H323-L334 PolarHBondContact O-N 3.2Å; Q324-L334 WeakPolarHBondContact CA-O 3.28Å; Q324-L334 WeakPolarHBondContact CB-O 3.32Å; Q324-L334 HydrophobicContact CG-CB 3.86Å; Q324-L334 WeakPolarHBondContact CG-O 3.43Å; L330-L334 HydrophobicContact CD1-CD2 4.19Å; L330-L334 HydrophobicContact CD1-CG 4.33Å
335	R	82.9	Confident	71	Confident	55 Å²	55	57.1 Å²	57.1	21%	0.208	33%	0.327	C	S	.	.			trans	-100.5	-65.9	-174.4	-59.6	-168.8	-168.6	-154.9	3.1	111.6	E257 G258 R333	E257-R335 WeakPolarHBondContact O-CD 3.2Å; G258-R335 PolarHBondContact O-N 3.12Å; R333-R335 HydrophobicContact CG-CG 3.8Å; R333-R335 PolarHBondContact O-N 3.42Å
336	H	85.5	Confident	68.8	Low	19 Å²	19	62.9 Å²	62.9	9%	0.088	35%	0.354	C	S	.	.			trans	-109.1	114.5	-169.4	-45.3	-74.7	0	0	0	110.4	G258 A259 F260 D401	G258-H336 PolarHBondContact O-N 3.37Å; A259-H336 CarbonylContact C-O 3.58Å; A259-H336 VanDerWaalsContact CA-O 3.28Å; A259-H336 WeakPolarHBondContact CA-O 3.32Å; A259-H336 HydrophobicContact CB-CB 4.3Å; F260-H336 VanDerWaalsContact CD1-O 3.3Å; F260-H336 WeakPolarHBondContact CD1-O 3.5Å; F260-H336 PolarHBondContact N-O 3.32Å; H336-D401 IonicContact CE1-OD1 3.85Å; H336-D401 PolarHBondContact CE1-OD1 2.88Å; H336-D401 IonicContact NE2-OD1 2.6Å; H336-D401 PolarHBondContact NE2-OD1 2.92Å
337	A	87.3	Confident	66.9	Low	43 Å²	43	70.7 Å²	70.7	36%	0.355	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-71	128	174.8	0	0	0	0	0	110.3	W237 F260	W237-A337 HydrophobicContact CB-CB 3.72Å; F260-A337 HydrophobicContact CE1-CB 4.1Å; F260-A337 HydrophobicContact CZ-CB 4.16Å
338	V	90.1	Very high	64.5	Low	13 Å²	13	77.5 Å²	77.5	8%	0.079	43%	0.431	C	S	.	.			trans	-110.3	133.6	179.7	179.9	0	0	0	0	110.5	N239 L250 L251 E254 A259 F260 M261	N239-V338 PolarHBondContact ND2-O 3.2Å; L250-V338 HydrophobicContact CB-CG1 4.4Å; L251-V338 HydrophobicContact CD2-CB 4.02Å; L251-V338 HydrophobicContact CD2-CG2 3.75Å; E254-V338 HydrophobicContact CB-CG2 4.27Å; E254-V338 HydrophobicContact CG-CG2 3.97Å; A259-V338 HydrophobicContact CB-CG2 4.04Å; F260-V338 PolarHBondContact O-N 3.05Å; M261-V338 HydrophobicContact CE-CB 3.74Å; M261-V338 HydrophobicContact CE-CG1 3.56Å
339	S	84.5	Confident	62.4	Low	55 Å²	55	79.9 Å²	79.9	39%	0.385	45%	0.45	S	S	.	.			trans	-120.3	146.9	178.3	-45.2	0	0	0	0	112	A236 N239	A236-S339 PolarHBondContact O-OG 2.95Å; N239-S339 WeakPolarHBondContact OD1-CA 3.36Å
340	K	71.2	Confident	60.2	Low	106 Å²	106	78.8 Å²	78.8	46%	0.461	44%	0.439	S	S	.	.	S	Bend	trans	-77.8	-16.1	-178.1	-171.5	176.3	-173.6	179.5	0	114.9	N239 I242 E246 L250	N239-K340 WeakPolarHBondContact OD1-CB 3.46Å; N239-K340 PolarHBondContact OD1-N 2.62Å; I242-K340 HydrophobicContact CD1-CD 4.23Å; I242-K340 HydrophobicContact CG1-CD 4.32Å; E246-K340 IonicContact OE1-NZ 2.71Å; E246-K340 PolarHBondContact OE1-NZ 2.98Å; E246-K340 IonicContact OE2-NZ 2.7Å; L250-K340 HydrophobicContact CD1-CB 4.05Å; L250-K340 HydrophobicContact CD1-CG 4.1Å
341	G	56	Low	57.7	Low	53 Å²	53	86.7 Å²	86.7	55%	0.546	48%	0.475	S	S	.	.	S	Bend	trans	-108.1	148.8	-176.8	0	0	0	0	0	113	R343	G341-R343 PolarHBondContact O-N 3.33Å
342	E	41.3	Very low	55.6	Low	201 Å²	201	89.7 Å²	89.7	94%	0.939	49%	0.491	S	S	*	.			trans	-62.5	69.1	164.6	-71.1	179.4	165.6	0	0	110.4	S344	E342-S344 PolarHBondContact O-N 3.18Å
343	R	39.2	Very low	53.7	Low	212 Å²	212	91.7 Å²	91.7	80%	0.8	50%	0.504	S	S	*	.			trans	-78.9	85.6	132.8	-75.2	-176.7	-179.9	174.8	1.2	103.9	G341 S345	G341-R343 PolarHBondContact O-N 3.33Å; R343-S345 PolarHBondContact O-N 3.4Å; R343-S345 VanDerWaalsContact O-N 3.1Å
344	S	31	Very low	51.8	Low	87 Å²	87	96.9 Å²	96.9	61%	0.608	53%	0.534	S	S	*	.			trans	-40	124.6	149.7	133.8	0	0	0	0	105.1	E342 Q346	E342-S344 PolarHBondContact O-N 3.18Å; S344-Q346 PolarHBondContact O-N 3.45Å
345	S	31.2	Very low	50.3	Low	112 Å²	112	105.6 Å²	105.6	78%	0.783	57%	0.572	S	S	*	*			trans	-51.8	77.9	165.6	33.4	0	0	0	0	108.9	R343 E347	R343-S345 PolarHBondContact O-N 3.4Å; R343-S345 VanDerWaalsContact O-N 3.1Å; S345-E347 PolarHBondContact O-N 3.26Å
346	Q	27.4	Very low	49.9	Very low	171 Å²	171	107.4 Å²	107.4	80%	0.799	58%	0.579	S	S	*	*			trans	-72.8	80.9	152.5	-84.3	-167.2	-33.7	0	0	105.9	S344 T348	S344-Q346 PolarHBondContact O-N 3.45Å; Q346-T348 PolarHBondContact O-N 2.87Å
347	E	33.2	Very low	49.9	Very low	165 Å²	165	109.6 Å²	109.6	77%	0.771	59%	0.589	S	S	*	*			trans	15.8	79.8	138.1	-62.8	-179.5	156.1	0	0	114.4	S345 A349	S345-E347 PolarHBondContact O-N 3.26Å; E347-A349 PolarHBondContact O-N 3.29Å
348	T	26.8	Very low	49.9	Very low	153 Å²	153	107.8 Å²	107.8	94%	0.939	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	14.6	152.5	-17.5	0	0	0	0	111.1	Q346	Q346-T348 PolarHBondContact O-N 2.87Å
349	A	32	Very low	49.7	Very low	61 Å²	61	110.3 Å²	110.3	50%	0.504	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.4	-17	167.1	0	0	0	0	0	112.5	E347 H351 T353	E347-A349 PolarHBondContact O-N 3.29Å; A349-H351 PolarHBondContact O-N 3.02Å; A349-T353 WeakPolarHBondContact O-CG2 3.43Å; A349-T353 PolarHBondContact O-OG1 3.43Å
350	G	29.2	Very low	49.8	Very low	45 Å²	45	109.1 Å²	109.1	46%	0.464	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.7	82.3	179.9	0	0	0	0	0	112.3
351	H	31.8	Very low	50.6	Low	180 Å²	180	112.4 Å²	112.4	83%	0.833	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	175.7	5.3	150.9	-102.6	50.2	0	0	0	112.8	A349	A349-H351 PolarHBondContact O-N 3.02Å
352	L	35.3	Very low	52.1	Low	110 Å²	110	114 Å²	114	58%	0.576	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	-25.9	171.5	-81.2	170.7	0	0	0	111.6	D354 W356	L352-D354 PolarHBondContact O-N 3.37Å; L352-W356 HydrophobicContact CB-CH2 3.62Å; L352-W356 HydrophobicContact CB-CZ3 3.7Å; L352-W356 HydrophobicContact CD2-CH2 3.82Å; L352-W356 HydrophobicContact CG-CH2 4.2Å; L352-W356 VanDerWaalsContact O-CE3 3.3Å; L352-W356 WeakPolarHBondContact O-CH2 3.39Å; L352-W356 WeakPolarHBondContact O-CZ3 3.43Å
353	T	38.7	Very low	54.5	Low	50 Å²	50	104.6 Å²	104.6	31%	0.307	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-49.3	-26.6	-170.2	33.7	0	0	0	0	117.3	A349 K355	A349-T353 WeakPolarHBondContact O-CG2 3.43Å; A349-T353 PolarHBondContact O-OG1 3.43Å; T353-K355 PolarHBondContact O-N 2.85Å
354	D	45	Very low	57.1	Low	143 Å²	143	99.4 Å²	99.4	77%	0.765	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-91.8	1	-162.4	-57.2	-7.8	0	0	0	115.3	L352	L352-D354 PolarHBondContact O-N 3.37Å
355	K	57.7	Low	60	Low	184 Å²	184	98.1 Å²	98.1	80%	0.8	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-98.9	-10.6	-177.5	-90.2	-171.3	177.6	-178.6	0	116	T353	T353-K355 PolarHBondContact O-N 2.85Å
356	W	74.5	Confident	62.9	Low	92 Å²	92	94.8 Å²	94.8	35%	0.348	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.6	-20.3	-169.8	-51	-63.3	0	0	0	113.8	L352 I358 M410 G422 V423	L352-W356 HydrophobicContact CB-CH2 3.62Å; L352-W356 HydrophobicContact CB-CZ3 3.7Å; L352-W356 HydrophobicContact CD2-CH2 3.82Å; L352-W356 HydrophobicContact CG-CH2 4.2Å; L352-W356 VanDerWaalsContact O-CE3 3.3Å; L352-W356 WeakPolarHBondContact O-CH2 3.39Å; L352-W356 WeakPolarHBondContact O-CZ3 3.43Å; W356-I358 PolarHBondContact O-N 3.44Å; W356-M410 HydrophobicContact CB-CE 3.46Å; W356-M410 VanDerWaalsContact CB-CE 3.46Å; W356-M410 HydrophobicContact CB-SD 3.54Å; W356-M410 VanDerWaalsContact CB-SD 3.54Å; W356-M410 HydrophobicContact CG-CE 3.45Å; W356-M410 VanDerWaalsContact CG-CE 3.45Å; W356-M410 HydrophobicContact CG-SD 3.72Å; W356-G422 CarbonylContact O-C 3.55Å; W356-G422 WeakPolarHBondContact O-CA 3.46Å; W356-V423 PolarHBondContact O-N 3.25Å
357	E	84.1	Confident	66	Low	65 Å²	65	92.9 Å²	92.9	30%	0.304	49%	0.492	S	S	.	.	B	Isolated β-bridge	trans	-74	117.7	171.6	-168.2	154.8	-162.8	0	0	108	V423 T425 Q426	E357-V423 CarbonylContact C-O 3.55Å; E357-V423 VanDerWaalsContact CA-O 3.28Å; E357-V423 WeakPolarHBondContact CA-O 3.38Å; E357-T425 PolarHBondContact OE1-OG1 3.15Å; E357-Q426 WeakPolarHBondContact OE1-CG 3.48Å
358	I	87.1	Confident	68.8	Low	6 Å²	6	90.2 Å²	90.2	3%	0.031	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-89.9	126.2	176.4	-68.5	169.2	0	0	0	107	W356 L363 W382 V423 C424 V433	W356-I358 PolarHBondContact O-N 3.44Å; I358-L363 HydrophobicContact CG2-CB 4.38Å; I358-W382 HydrophobicContact CD1-CD2 4.22Å; I358-W382 HydrophobicContact CD1-CZ2 4.33Å; I358-W382 HydrophobicContact CG1-CZ2 4.12Å; I358-W382 HydrophobicContact CG2-CG 4.45Å; I358-V423 PolarHBondContact N-O 3.47Å; I358-C424 HydrophobicContact CB-CB 4.43Å; I358-C424 WeakPolarHBondContact O-CB 3.34Å; I358-V433 HydrophobicContact CD1-CB 3.59Å; I358-V433 HydrophobicContact CD1-CG1 3.98Å; I358-V433 HydrophobicContact CD1-CG2 3.59Å
359	D	86.5	Confident	71.8	Confident	66 Å²	66	86.3 Å²	86.3	35%	0.353	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-61.6	125.9	172.4	-169.8	-35.7	0	0	0	109	E361 E362	D359-E361 PolarHBondContact O-N 3.17Å; D359-E361 VanDerWaalsContact O-N 3.12Å; D359-E361 WeakPolarHBondContact OD1-CB 3.15Å; D359-E361 PolarHBondContact OD1-N 3.47Å; D359-E362 HydrophobicContact CB-CG 4.07Å; D359-E362 WeakPolarHBondContact O-CB 3.49Å; D359-E362 PolarHBondContact O-N 3.39Å
360	P	86.2	Confident	74.2	Confident	29 Å²	29	84.7 Å²	84.7	19%	0.188	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-52.1	-29.9	175.5	-22.2	28.2	0	0	0	114.2	E362 L363 Q426 R427	P360-E362 VanDerWaalsContact C-N 3.29Å; P360-L363 PolarHBondContact O-N 2.8Å; P360-Q426 HydrophobicContact CG-CB 3.8Å; P360-R427 HydrophobicContact CG-CB 4.43Å
361	E	87.8	Confident	76.5	Confident	176 Å²	176	86.5 Å²	86.5	82%	0.822	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-71.8	-22.8	179	-61.9	-168.8	172.3	0	0	112.8	D359 L363	D359-E361 PolarHBondContact O-N 3.17Å; D359-E361 VanDerWaalsContact O-N 3.12Å; D359-E361 WeakPolarHBondContact OD1-CB 3.15Å; D359-E361 PolarHBondContact OD1-N 3.47Å; E361-L363 VanDerWaalsContact C-N 3.28Å
362	E	88.9	Confident	78.2	Confident	85 Å²	85	79.8 Å²	79.8	40%	0.397	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-82.2	-6.5	174.7	-67.4	-175.6	-177.3	0	0	113.2	D359 P360 W382 N383	D359-E362 HydrophobicContact CB-CG 4.07Å; D359-E362 WeakPolarHBondContact O-CB 3.49Å; D359-E362 PolarHBondContact O-N 3.39Å; P360-E362 VanDerWaalsContact C-N 3.29Å; E362-W382 WeakPolarHBondContact O-CA 3.39Å; E362-W382 PolarHBondContact OE2-NE1 2.9Å; E362-N383 PolarHBondContact OE2-ND2 3.01Å; E362-N383 VanDerWaalsContact OE2-ND2 3.12Å
363	L	91.3	Very high	79.6	Confident	5 Å²	5	80.3 Å²	80.3	3%	0.026	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	102	-171	-173.2	68.1	0	0	0	112.3	I358 P360 E361 L365 W382 V387 V389 V433	I358-L363 HydrophobicContact CG2-CB 4.38Å; P360-L363 PolarHBondContact O-N 2.8Å; E361-L363 VanDerWaalsContact C-N 3.28Å; L363-L365 HydrophobicContact CD2-CD2 3.99Å; L363-L365 HydrophobicContact CG-CD2 4.03Å; L363-W382 HydrophobicContact CD1-CB 3.91Å; L363-V387 HydrophobicContact CD1-CG2 3.9Å; L363-V389 HydrophobicContact CD1-CG2 3.85Å; L363-V389 HydrophobicContact CD2-CG1 4.12Å; L363-V389 HydrophobicContact CD2-CG2 4.03Å; L363-V389 HydrophobicContact CG-CG2 4.29Å; L363-V433 HydrophobicContact CD1-CG1 4.36Å; L363-V433 HydrophobicContact CD1-CG2 4.28Å; L363-V433 HydrophobicContact CD2-CG2 3.89Å
364	D	92.8	Very high	80.7	Confident	103 Å²	103	79.7 Å²	79.7	55%	0.551	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	124.2	171	-62.3	-41.9	0	0	0	110.1	G380 K381	D364-G380 CarbonylContact O-C 3.58Å; D364-G380 WeakPolarHBondContact O-CA 3.39Å; D364-K381 HydrophobicContact CB-CB 4.18Å; D364-K381 PolarHBondContact N-O 2.92Å; D364-K381 PolarHBondContact O-N 2.89Å
365	L	92.8	Very high	82.2	Confident	59 Å²	59	73 Å²	73	31%	0.309	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	134.3	175.9	-58.2	-179	0	0	0	110.7	L363 L378 V389	L363-L365 HydrophobicContact CD2-CD2 3.99Å; L363-L365 HydrophobicContact CG-CD2 4.03Å; L365-L378 HydrophobicContact CB-CD1 4.18Å; L365-L378 HydrophobicContact CD1-CD1 4.12Å; L365-L378 HydrophobicContact CD2-CD1 4.48Å; L365-L378 HydrophobicContact CG-CD1 4.5Å; L365-V389 HydrophobicContact CD2-CB 3.91Å; L365-V389 HydrophobicContact CD2-CG1 3.76Å; L365-V389 HydrophobicContact CD2-CG2 3.79Å
366	G	91.8	Very high	83.5	Confident	42 Å²	42	66.9 Å²	66.9	43%	0.433	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-148	177.8	0	0	0	0	0	112.8	E379	G366-E379 WeakPolarHBondContact CA-O 3.28Å; G366-E379 PolarHBondContact N-O 3.21Å
367	Q	92.2	Very high	84.2	Confident	131 Å²	131	64.3 Å²	64.3	61%	0.612	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	157.4	-176.8	66.6	-171	-10.8	0	0	113.3	I369 L378 E379	Q367-I369 HydrophobicContact CG-CG2 4.38Å; Q367-I369 PolarHBondContact O-N 3.11Å; Q367-L378 WeakPolarHBondContact O-CA 3.28Å; Q367-E379 HydrophobicContact CG-CB 4.31Å; Q367-E379 PolarHBondContact NE2-OE2 3.03Å; Q367-E379 PolarHBondContact O-N 2.97Å
368	E	93.4	Very high	84.6	Confident	109 Å²	109	62.1 Å²	62.1	51%	0.509	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	129.9	169.4	174.9	172.7	171.6	0	0	111	S371 L376 L378	E368-S371 VanDerWaalsContact OE1-CB 3.24Å; E368-S371 WeakPolarHBondContact OE1-CB 3.42Å; E368-S371 PolarHBondContact OE1-OG 3.31Å; E368-L376 HydrophobicContact CB-CD1 4.08Å; E368-L376 HydrophobicContact CG-CD1 3.44Å; E368-L376 VanDerWaalsContact CG-CD1 3.44Å; E368-L376 WeakPolarHBondContact OE2-CD1 3.25Å; E368-L378 HydrophobicContact CB-CD2 3.98Å
369	I	88.3	Confident	84.9	Confident	71 Å²	71	63.8 Å²	63.8	36%	0.364	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-10.8	176	62.6	175.4	0	0	0	112.6	Q367 V377 E379 A388 Y436	Q367-I369 HydrophobicContact CG-CG2 4.38Å; Q367-I369 PolarHBondContact O-N 3.11Å; I369-V377 HydrophobicContact CD1-CG1 3.89Å; I369-V377 HydrophobicContact CG1-CB 4.17Å; I369-V377 HydrophobicContact CG1-CG1 3.76Å; I369-V377 WeakPolarHBondContact CG1-O 3.12Å; I369-V377 PolarHBondContact N-O 2.8Å; I369-E379 HydrophobicContact CG2-CB 3.82Å; I369-A388 HydrophobicContact CD1-CB 4.19Å; I369-Y436 HydrophobicContact CD1-CD2 4.23Å; I369-Y436 HydrophobicContact CD1-CE2 3.84Å
370	G	82.3	Confident	85.3	Confident	27 Å²	27	60.9 Å²	60.9	28%	0.278	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.3	158.7	171.7	0	0	0	0	0	112.6	V377	G370-V377 PolarHBondContact N-O 3.47Å; G370-V377 VanDerWaalsContact N-O 3.16Å; G370-V377 WeakPolarHBondContact O-CA 3.4Å; G370-V377 WeakPolarHBondContact O-CB 3.44Å; G370-V377 PolarHBondContact O-N 3.48Å
371	S	78.9	Confident	85.7	Confident	84 Å²	84	63.7 Å²	63.7	59%	0.587	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	140.1	174.4	40.2	0	0	0	0	109.8	E368	E368-S371 VanDerWaalsContact OE1-CB 3.24Å; E368-S371 WeakPolarHBondContact OE1-CB 3.42Å; E368-S371 PolarHBondContact OE1-OG 3.31Å
372	G	67.1	Low	85.9	Confident	39 Å²	39	58 Å²	58	40%	0.402	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	-174.8	-174.7	0	0	0	0	0	113.2	F374 G375	G372-F374 PolarHBondContact O-N 3.36Å; G372-G375 PolarHBondContact N-O 3.33Å; G372-G375 PolarHBondContact O-N 3.1Å; G372-G375 VanDerWaalsContact O-N 3.14Å
373	Q	63.3	Low	85.8	Confident	120 Å²	120	58.9 Å²	58.9	56%	0.561	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.4	-179	-178	176	-41.3	0	0	112.6
374	F	63.2	Low	85.4	Confident	37 Å²	37	65.3 Å²	65.3	16%	0.162	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	1.3	-175.9	-54.2	-69.8	0	0	0	113.8	G372 M502	G372-F374 PolarHBondContact O-N 3.36Å; F374-M502 HydrophobicContact CE1-CG 3.78Å; F374-M502 HydrophobicContact CE1-SD 3.67Å; F374-M502 HydrophobicContact CE2-CG 4.14Å; F374-M502 HydrophobicContact CZ-CG 3.3Å; F374-M502 HydrophobicContact CZ-SD 3.71Å
375	G	75.1	Confident	85.3	Confident	3 Å²	3	66.3 Å²	66.3	3%	0.031	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	127	-161.1	176.1	0	0	0	0	0	114.8	G372 M391	G372-G375 PolarHBondContact N-O 3.33Å; G372-G375 PolarHBondContact O-N 3.1Å; G372-G375 VanDerWaalsContact O-N 3.14Å; G375-M391 WeakPolarHBondContact CA-O 3.34Å
376	L	85.1	Confident	85.3	Confident	55 Å²	55	67.9 Å²	67.9	29%	0.288	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	139.7	-173.6	177.3	64.8	0	0	0	109.6	E368 L378 K390 M391	E368-L376 HydrophobicContact CB-CD1 4.08Å; E368-L376 HydrophobicContact CG-CD1 3.44Å; E368-L376 VanDerWaalsContact CG-CD1 3.44Å; E368-L376 WeakPolarHBondContact OE2-CD1 3.25Å; L376-L378 HydrophobicContact CD1-CD2 4.23Å; L376-L378 HydrophobicContact CD2-CD2 3.72Å; L376-L378 HydrophobicContact CD2-CG 4.18Å; L376-L378 HydrophobicContact CG-CD2 3.82Å; L376-L378 HydrophobicContact CG-CG 4.17Å; L376-K390 CarbonylContact O-C 3.58Å; L376-K390 WeakPolarHBondContact O-CA 3.4Å; L376-M391 HydrophobicContact CB-CB 4.46Å; L376-M391 HydrophobicContact CD2-SD 4.34Å; L376-M391 PolarHBondContact N-O 2.89Å; L376-M391 VanDerWaalsContact N-O 3.16Å; L376-M391 PolarHBondContact O-N 2.86Å
377	V	89.4	Confident	85.5	Confident	39 Å²	39	65.9 Å²	65.9	24%	0.236	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.1	174.1	-168.9	0	0	0	0	108.5	I369 G370 A388 V389 K390	I369-V377 HydrophobicContact CD1-CG1 3.89Å; I369-V377 HydrophobicContact CG1-CB 4.17Å; I369-V377 HydrophobicContact CG1-CG1 3.76Å; I369-V377 WeakPolarHBondContact CG1-O 3.12Å; I369-V377 PolarHBondContact N-O 2.8Å; G370-V377 PolarHBondContact N-O 3.47Å; G370-V377 VanDerWaalsContact N-O 3.16Å; G370-V377 WeakPolarHBondContact O-CA 3.4Å; G370-V377 WeakPolarHBondContact O-CB 3.44Å; G370-V377 PolarHBondContact O-N 3.48Å; V377-A388 HydrophobicContact CG1-CB 4.47Å; V377-V389 CarbonylContact C-O 3.57Å; V377-V389 WeakPolarHBondContact CA-O 3.43Å; V377-K390 HydrophobicContact CG2-CB 4.37Å; V377-K390 HydrophobicContact CG2-CG 4.18Å
378	L	92.3	Very high	85.5	Confident	18 Å²	18	60.2 Å²	60.2	9%	0.094	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	150.3	177.8	-58.1	180	0	0	0	110.2	L365 Q367 E368 L376 V389 M391	L365-L378 HydrophobicContact CB-CD1 4.18Å; L365-L378 HydrophobicContact CD1-CD1 4.12Å; L365-L378 HydrophobicContact CD2-CD1 4.48Å; L365-L378 HydrophobicContact CG-CD1 4.5Å; Q367-L378 WeakPolarHBondContact O-CA 3.28Å; E368-L378 HydrophobicContact CB-CD2 3.98Å; L376-L378 HydrophobicContact CD1-CD2 4.23Å; L376-L378 HydrophobicContact CD2-CD2 3.72Å; L376-L378 HydrophobicContact CD2-CG 4.18Å; L376-L378 HydrophobicContact CG-CD2 3.82Å; L376-L378 HydrophobicContact CG-CG 4.17Å; L378-V389 PolarHBondContact N-O 3.36Å; L378-V389 PolarHBondContact O-N 3.29Å; L378-M391 HydrophobicContact CD1-SD 3.51Å; L378-M391 VanDerWaalsContact CD1-SD 3.51Å; L378-M391 HydrophobicContact CG-SD 4.2Å
379	E	94.2	Very high	85.4	Confident	41 Å²	41	55 Å²	55	19%	0.192	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	145.3	156.9	-176.5	175.1	176.2	0	0	108.9	G366 Q367 I369 K386 Y436	G366-E379 WeakPolarHBondContact CA-O 3.28Å; G366-E379 PolarHBondContact N-O 3.21Å; Q367-E379 HydrophobicContact CG-CB 4.31Å; Q367-E379 PolarHBondContact NE2-OE2 3.03Å; Q367-E379 PolarHBondContact O-N 2.97Å; I369-E379 HydrophobicContact CG2-CB 3.82Å; E379-K386 VanDerWaalsContact CD-CE 3.44Å; E379-K386 WeakPolarHBondContact OE1-CE 3.3Å; E379-K386 IonicContact OE1-NZ 3.9Å; E379-K386 PolarHBondContact OE1-NZ 2.76Å; E379-K386 IonicContact OE2-NZ 2.78Å; E379-Y436 HydrophobicContact CG-CE2 4.25Å
380	G	94.1	Very high	85.5	Confident	6 Å²	6	52.5 Å²	52.5	6%	0.062	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	174.5	173.8	0	0	0	0	0	113.2	D364 V387	D364-G380 CarbonylContact O-C 3.58Å; D364-G380 WeakPolarHBondContact O-CA 3.39Å; G380-V387 VanDerWaalsContact C-CG2 3.42Å; G380-V387 PolarHBondContact N-O 3.15Å; G380-V387 WeakPolarHBondContact O-CG2 3.23Å; G380-V387 PolarHBondContact O-N 2.88Å
381	K	94.9	Very high	85.6	Confident	88 Å²	88	52.7 Å²	52.7	38%	0.383	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	125.1	175.7	-170.6	-176.9	172	-166.1	0	109	D364 D384 R385	D364-K381 HydrophobicContact CB-CB 4.18Å; D364-K381 PolarHBondContact N-O 2.92Å; D364-K381 PolarHBondContact O-N 2.89Å; K381-D384 VanDerWaalsContact CE-CA 3.49Å; K381-D384 WeakPolarHBondContact CE-OD1 3.22Å; K381-D384 IonicContact NZ-OD1 2.92Å; K381-D384 PolarHBondContact NZ-OD1 3.3Å; K381-R385 CarbonylContact C-O 3.53Å; K381-R385 VanDerWaalsContact CA-O 3.31Å; K381-R385 WeakPolarHBondContact CA-O 3.44Å
382	W	92.3	Very high	85.5	Confident	56 Å²	56	49.6 Å²	49.6	21%	0.212	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	120.1	178.5	175.2	57.8	0	0	0	109.3	I358 E362 L363 D384 R385 V387 Y421	I358-W382 HydrophobicContact CD1-CD2 4.22Å; I358-W382 HydrophobicContact CD1-CZ2 4.33Å; I358-W382 HydrophobicContact CG1-CZ2 4.12Å; I358-W382 HydrophobicContact CG2-CG 4.45Å; E362-W382 WeakPolarHBondContact O-CA 3.39Å; E362-W382 PolarHBondContact OE2-NE1 2.9Å; L363-W382 HydrophobicContact CD1-CB 3.91Å; W382-D384 VanDerWaalsContact C-N 3.34Å; W382-D384 PolarHBondContact O-N 3.01Å; W382-R385 PolarHBondContact N-O 2.53Å; W382-R385 WeakPolarHBondContact O-CA 3.45Å; W382-R385 WeakPolarHBondContact O-CB 3.13Å; W382-R385 PolarHBondContact O-N 2.8Å; W382-V387 HydrophobicContact CB-CG1 4.04Å; W382-V387 HydrophobicContact CB-CG2 4.11Å; W382-Y421 HydrophobicContact CE3-CD2 4.48Å; W382-Y421 HydrophobicContact CZ3-CG 4.33Å
383	N	86.4	Confident	85.6	Confident	104 Å²	104	54.6 Å²	54.6	56%	0.556	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	51.4	-177.3	-73.5	-44.5	0	0	0	113.2	E362 R385	E362-N383 PolarHBondContact OE2-ND2 3.01Å; E362-N383 VanDerWaalsContact OE2-ND2 3.12Å; N383-R385 PolarHBondContact O-N 2.93Å
384	D	84.5	Confident	85.5	Confident	139 Å²	139	55 Å²	55	74%	0.743	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	5.2	-174	-73.6	-46	0	0	0	116.9	K381 W382	K381-D384 VanDerWaalsContact CE-CA 3.49Å; K381-D384 WeakPolarHBondContact CE-OD1 3.22Å; K381-D384 IonicContact NZ-OD1 2.92Å; K381-D384 PolarHBondContact NZ-OD1 3.3Å; W382-D384 VanDerWaalsContact C-N 3.34Å; W382-D384 PolarHBondContact O-N 3.01Å
385	R	90	Very high	85.4	Confident	125 Å²	125	60.8 Å²	60.8	47%	0.472	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	132.7	176.8	-166.3	-178.2	-169.1	175.8	4.7	110.9	K381 W382 N383 V387 Y421	K381-R385 CarbonylContact C-O 3.53Å; K381-R385 VanDerWaalsContact CA-O 3.31Å; K381-R385 WeakPolarHBondContact CA-O 3.44Å; W382-R385 PolarHBondContact N-O 2.53Å; W382-R385 WeakPolarHBondContact O-CA 3.45Å; W382-R385 WeakPolarHBondContact O-CB 3.13Å; W382-R385 PolarHBondContact O-N 2.8Å; N383-R385 PolarHBondContact O-N 2.93Å; R385-V387 PolarHBondContact O-N 3.31Å; R385-Y421 PolarHBondContact NE-OH 2.76Å; R385-Y421 VanDerWaalsContact NH1-CE1 3.29Å; R385-Y421 PolarHBondContact NH1-OH 3.45Å; R385-Y421 PolarHBondContact NH2-OH 3.03Å
386	K	93.3	Very high	84.2	Confident	92 Å²	92	64.2 Å²	64.2	40%	0.4	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	129.3	170	-166.7	171.8	-177.1	165.1	0	110.7	E379 Y436	E379-K386 VanDerWaalsContact CD-CE 3.44Å; E379-K386 WeakPolarHBondContact OE1-CE 3.3Å; E379-K386 IonicContact OE1-NZ 3.9Å; E379-K386 PolarHBondContact OE1-NZ 2.76Å; E379-K386 IonicContact OE2-NZ 2.78Å; K386-Y436 HydrophobicContact CD-CD1 3.67Å; K386-Y436 HydrophobicContact CD-CE1 3.83Å; K386-Y436 HydrophobicContact CD-CG 4.06Å; K386-Y436 HydrophobicContact CG-CD1 3.99Å; K386-Y436 HydrophobicContact CG-CD2 4.34Å; K386-Y436 HydrophobicContact CG-CG 3.87Å; K386-Y436 PolarHBondContact NZ-OH 3.12Å
387	V	94.8	Very high	82.9	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	162.9	-176.3	-64.8	0	0	0	0	111.2	L363 G380 W382 R385 V389 Y421 V433 F434	L363-V387 HydrophobicContact CD1-CG2 3.9Å; G380-V387 VanDerWaalsContact C-CG2 3.42Å; G380-V387 PolarHBondContact N-O 3.15Å; G380-V387 WeakPolarHBondContact O-CG2 3.23Å; G380-V387 PolarHBondContact O-N 2.88Å; W382-V387 HydrophobicContact CB-CG1 4.04Å; W382-V387 HydrophobicContact CB-CG2 4.11Å; R385-V387 PolarHBondContact O-N 3.31Å; V387-V389 HydrophobicContact CG2-CG2 4.06Å; V387-Y421 HydrophobicContact CG1-CD2 3.95Å; V387-Y421 HydrophobicContact CG1-CE2 3.99Å; V387-V433 HydrophobicContact CB-CG1 3.74Å; V387-V433 HydrophobicContact CG1-CG1 3.91Å; V387-V433 HydrophobicContact CG2-CG1 3.82Å; V387-F434 WeakPolarHBondContact CA-O 3.49Å; V387-F434 WeakPolarHBondContact CB-O 3.43Å
388	A	93.5	Very high	81.7	Confident	12 Å²	12	65.2 Å²	65.2	10%	0.099	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.6	167.8	0	0	0	0	0	108.8	I369 V377 F434 Y436	I369-A388 HydrophobicContact CD1-CB 4.19Å; V377-A388 HydrophobicContact CG1-CB 4.47Å; A388-F434 HydrophobicContact CB-CB 4.43Å; A388-F434 PolarHBondContact N-O 2.88Å; A388-F434 PolarHBondContact O-N 3.09Å; A388-Y436 HydrophobicContact CB-CD2 4.33Å
389	V	91.6	Very high	80.4	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	112.7	-176.1	-175.6	0	0	0	0	109.1	L363 L365 V377 L378 V387 C431 L432	L363-V389 HydrophobicContact CD1-CG2 3.85Å; L363-V389 HydrophobicContact CD2-CG1 4.12Å; L363-V389 HydrophobicContact CD2-CG2 4.03Å; L363-V389 HydrophobicContact CG-CG2 4.29Å; L365-V389 HydrophobicContact CD2-CB 3.91Å; L365-V389 HydrophobicContact CD2-CG1 3.76Å; L365-V389 HydrophobicContact CD2-CG2 3.79Å; V377-V389 CarbonylContact C-O 3.57Å; V377-V389 WeakPolarHBondContact CA-O 3.43Å; L378-V389 PolarHBondContact N-O 3.36Å; L378-V389 PolarHBondContact O-N 3.29Å; V387-V389 HydrophobicContact CG2-CG2 4.06Å; V389-C431 HydrophobicContact CG1-CB 3.62Å; V389-L432 WeakPolarHBondContact CA-O 3.15Å
390	K	88.5	Confident	79	Confident	17 Å²	17	72.1 Å²	72.1	7%	0.074	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	112.4	176.4	-177.5	177.2	-178.1	-171.5	0	109.6	L376 V377 C431 L432 F434 D499	L376-K390 CarbonylContact O-C 3.58Å; L376-K390 WeakPolarHBondContact O-CA 3.4Å; V377-K390 HydrophobicContact CG2-CB 4.37Å; V377-K390 HydrophobicContact CG2-CG 4.18Å; K390-C431 CarbonylContact O-C 3.2Å; K390-C431 VanDerWaalsContact O-CA 3.22Å; K390-C431 WeakPolarHBondContact O-CA 3.36Å; K390-L432 HydrophobicContact CB-CB 4.35Å; K390-L432 HydrophobicContact CD-CD1 4.49Å; K390-L432 PolarHBondContact N-O 3.44Å; K390-L432 PolarHBondContact O-N 3.33Å; K390-F434 HydrophobicContact CB-CD2 4.42Å; K390-F434 HydrophobicContact CB-CE2 4.14Å; K390-F434 HydrophobicContact CD-CE2 4.46Å; K390-D499 IonicContact NZ-OD1 3.73Å; K390-D499 PolarHBondContact NZ-OD1 2.78Å
391	M	85.3	Confident	77.6	Confident	32 Å²	32	72.6 Å²	72.6	16%	0.158	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120.4	175.5	-59.6	179	79.3	0	0	109.4	G375 L376 L378 P429 C431	G375-M391 WeakPolarHBondContact CA-O 3.34Å; L376-M391 HydrophobicContact CB-CB 4.46Å; L376-M391 HydrophobicContact CD2-SD 4.34Å; L376-M391 PolarHBondContact N-O 2.89Å; L376-M391 VanDerWaalsContact N-O 3.16Å; L376-M391 PolarHBondContact O-N 2.86Å; L378-M391 HydrophobicContact CD1-SD 3.51Å; L378-M391 VanDerWaalsContact CD1-SD 3.51Å; L378-M391 HydrophobicContact CG-SD 4.2Å; M391-P429 HydrophobicContact CB-CG 4.11Å; M391-P429 HydrophobicContact CE-CG 3.45Å; M391-P429 VanDerWaalsContact CE-CG 3.45Å; M391-C431 HydrophobicContact CG-CB 4.27Å
392	V	76.3	Confident	76.3	Confident	19 Å²	19	68.9 Å²	68.9	12%	0.115	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.6	-177.7	-177.6	0	0	0	0	109.9	M397 F402 P429 I430 L432	V392-M397 HydrophobicContact CG1-SD 4.31Å; V392-F402 HydrophobicContact CB-CE2 4.49Å; V392-F402 HydrophobicContact CG2-CD2 4.28Å; V392-F402 HydrophobicContact CG2-CE2 3.67Å; V392-F402 HydrophobicContact CG2-CZ 4.45Å; V392-P429 WeakPolarHBondContact O-CB 3.47Å; V392-I430 PolarHBondContact N-O 3.2Å; V392-L432 HydrophobicContact CG2-CD1 4.42Å
393	R	69.8	Low	75.1	Confident	143 Å²	143	70.3 Å²	70.3	54%	0.54	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-68.1	135.1	177.9	-66.6	-179	179.6	-175.3	0.8	110.7	D395 C396	R393-D395 PolarHBondContact O-N 3.43Å; R393-D395 VanDerWaalsContact O-N 3.08Å; R393-C396 WeakPolarHBondContact O-CB 3.25Å; R393-C396 PolarHBondContact O-N 2.78Å
394	E	61.6	Low	74.1	Confident	129 Å²	129	70.5 Å²	70.5	60%	0.603	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.6	-176.1	-68.6	176.9	175.7	0	0	113.4	C396 S428 P429	E394-C396 PolarHBondContact O-N 2.55Å; E394-S428 PolarHBondContact OE1-OG 2.99Å; E394-P429 HydrophobicContact CG-CB 4.36Å
395	D	59.7	Low	73.2	Confident	158 Å²	158	65.9 Å²	65.9	85%	0.845	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-1.7	-175.2	-43.8	-31.9	0	0	0	114.6	R393	R393-D395 PolarHBondContact O-N 3.43Å; R393-D395 VanDerWaalsContact O-N 3.08Å
396	C	51.4	Low	72.3	Confident	75 Å²	75	60.1 Å²	60.1	51%	0.507	30%	0.297	S	S	.	.	S	Bend	trans	-90.6	-29.7	-168	-68.1	0	0	0	0	114.2	R393 E394	R393-C396 WeakPolarHBondContact O-CB 3.25Å; R393-C396 PolarHBondContact O-N 2.78Å; E394-C396 PolarHBondContact O-N 2.55Å
397	M	58	Low	71.2	Confident	57 Å²	57	60.4 Å²	60.4	28%	0.281	30%	0.301	S	S	.	.	S	Bend	trans	-166	157.6	-175.5	58	-161.8	-49.6	0	0	110.7	V392 D401 F402 E405	V392-M397 HydrophobicContact CG1-SD 4.31Å; M397-D401 HydrophobicContact CE-CB 4.37Å; M397-F402 HydrophobicContact CE-CB 3.8Å; M397-F402 HydrophobicContact CE-CD2 4.22Å; M397-F402 HydrophobicContact CG-CB 4.05Å; M397-F402 HydrophobicContact SD-CB 3.97Å; M397-F402 HydrophobicContact SD-CD2 3.71Å; M397-F402 HydrophobicContact SD-CG 4.34Å; M397-E405 HydrophobicContact CE-CB 4.42Å; M397-E405 HydrophobicContact CE-CG 4.45Å; M397-E405 WeakPolarHBondContact CE-OE2 3.47Å
398	T	63.4	Low	70	Confident	58 Å²	58	62.7 Å²	62.7	36%	0.356	32%	0.315	S	S	.	.			trans	-73.3	153.8	172.9	69.6	0	0	0	0	110.7	E400 D401 F402	T398-E400 PolarHBondContact O-N 2.89Å; T398-D401 PolarHBondContact O-N 2.95Å; T398-D401 WeakPolarHBondContact OG1-CB 3.3Å; T398-D401 PolarHBondContact OG1-N 3.45Å; T398-D401 PolarHBondContact OG1-OD2 3.48Å; T398-F402 WeakPolarHBondContact O-CB 3.46Å; T398-F402 PolarHBondContact O-N 2.84Å
399	D	65.1	Low	68.9	Low	102 Å²	102	63 Å²	63	55%	0.545	31%	0.314	S	S	.	.	H	α-helix	trans	-56.8	-35.6	177.7	-65.5	-0.3	0	0	0	112.6	F402 K403 I430	D399-F402 PolarHBondContact O-N 3.27Å; D399-K403 WeakPolarHBondContact O-CB 3.45Å; D399-K403 VanDerWaalsContact O-CG 3.32Å; D399-K403 WeakPolarHBondContact O-CG 3.08Å; D399-K403 PolarHBondContact O-N 2.87Å; D399-I430 HydrophobicContact CB-CD1 3.99Å; D399-I430 WeakPolarHBondContact OD1-CD1 3.49Å
400	E	64.6	Low	68	Low	102 Å²	102	64.7 Å²	64.7	48%	0.477	32%	0.323	S	S	.	.	H	α-helix	trans	-68.4	-49.8	177.2	-71	170.2	-170.7	0	0	111.7	K256 T398 F402 K403 E404	K256-E400 IonicContact NZ-OE1 3.59Å; K256-E400 IonicContact NZ-OE2 3.81Å; K256-E400 PolarHBondContact NZ-OE2 2.77Å; T398-E400 PolarHBondContact O-N 2.89Å; E400-F402 PolarHBondContact O-N 2.96Å; E400-K403 PolarHBondContact O-N 2.8Å; E400-E404 PolarHBondContact O-N 2.85Å
401	D	63.9	Low	67.3	Low	17 Å²	17	73.2 Å²	73.2	9%	0.091	36%	0.355	C	S	.	.	H	α-helix	trans	-58.2	-38.3	175	-75.1	-54.8	0	0	0	110.9	H336 M397 T398 E405	H336-D401 IonicContact CE1-OD1 3.85Å; H336-D401 PolarHBondContact CE1-OD1 2.88Å; H336-D401 IonicContact NE2-OD1 2.6Å; H336-D401 PolarHBondContact NE2-OD1 2.92Å; M397-D401 HydrophobicContact CE-CB 4.37Å; T398-D401 PolarHBondContact O-N 2.95Å; T398-D401 WeakPolarHBondContact OG1-CB 3.3Å; T398-D401 PolarHBondContact OG1-N 3.45Å; T398-D401 PolarHBondContact OG1-OD2 3.48Å; D401-E405 WeakPolarHBondContact O-CB 3.27Å; D401-E405 VanDerWaalsContact O-CG 3.27Å; D401-E405 WeakPolarHBondContact O-CG 3.38Å; D401-E405 PolarHBondContact O-N 2.79Å
402	F	68.4	Low	66.9	Low	9 Å²	9	72.1 Å²	72.1	4%	0.039	35%	0.349	C	S	.	.	H	α-helix	trans	-64.9	-48.3	176.9	174.4	-90.1	0	0	0	111.9	V392 M397 T398 D399 E400 E404 E405 A406 V423 T425 I430 L432	V392-F402 HydrophobicContact CB-CE2 4.49Å; V392-F402 HydrophobicContact CG2-CD2 4.28Å; V392-F402 HydrophobicContact CG2-CE2 3.67Å; V392-F402 HydrophobicContact CG2-CZ 4.45Å; M397-F402 HydrophobicContact CE-CB 3.8Å; M397-F402 HydrophobicContact CE-CD2 4.22Å; M397-F402 HydrophobicContact CG-CB 4.05Å; M397-F402 HydrophobicContact SD-CB 3.97Å; M397-F402 HydrophobicContact SD-CD2 3.71Å; M397-F402 HydrophobicContact SD-CG 4.34Å; T398-F402 WeakPolarHBondContact O-CB 3.46Å; T398-F402 PolarHBondContact O-N 2.84Å; D399-F402 PolarHBondContact O-N 3.27Å; E400-F402 PolarHBondContact O-N 2.96Å; F402-E404 VanDerWaalsContact C-N 3.33Å; F402-E404 PolarHBondContact O-N 2.91Å; F402-E405 PolarHBondContact O-N 3.27Å; F402-A406 HydrophobicContact CE1-CB 4.24Å; F402-A406 HydrophobicContact CZ-CB 4.44Å; F402-A406 WeakPolarHBondContact O-CB 3.44Å; F402-A406 PolarHBondContact O-N 3.32Å; F402-V423 HydrophobicContact CE1-CB 4.43Å; F402-V423 HydrophobicContact CE1-CG1 4.41Å; F402-T425 HydrophobicContact CD1-CG2 4.41Å; F402-T425 HydrophobicContact CE1-CG2 4.2Å; F402-I430 HydrophobicContact CD1-CD1 4.18Å; F402-I430 HydrophobicContact CD1-CG2 3.66Å; F402-I430 HydrophobicContact CE1-CB 4.35Å; F402-I430 HydrophobicContact CE1-CG2 3.14Å; F402-I430 HydrophobicContact CE2-CG2 4.36Å; F402-I430 HydrophobicContact CG-CG2 4.45Å; F402-I430 HydrophobicContact CZ-CG2 3.5Å; F402-L432 HydrophobicContact CE1-CD2 4.26Å; F402-L432 HydrophobicContact CE2-CD1 4.05Å; F402-L432 HydrophobicContact CE2-CD2 3.82Å; F402-L432 HydrophobicContact CE2-CG 3.87Å; F402-L432 HydrophobicContact CZ-CD1 4.31Å; F402-L432 HydrophobicContact CZ-CD2 3.31Å; F402-L432 HydrophobicContact CZ-CG 3.62Å
403	K	66.7	Low	67.2	Low	87 Å²	87	73.3 Å²	73.3	38%	0.378	36%	0.358	S	S	.	.	H	α-helix	trans	-60.2	-44.1	179.1	-77.6	175.6	-179.8	-176.6	0	111.2	D399 E400 A406 M407 T425	D399-K403 WeakPolarHBondContact O-CB 3.45Å; D399-K403 VanDerWaalsContact O-CG 3.32Å; D399-K403 WeakPolarHBondContact O-CG 3.08Å; D399-K403 PolarHBondContact O-N 2.87Å; E400-K403 PolarHBondContact O-N 2.8Å; K403-A406 PolarHBondContact O-N 3.2Å; K403-M407 WeakPolarHBondContact O-CB 3.47Å; K403-M407 VanDerWaalsContact O-CG 3.26Å; K403-M407 WeakPolarHBondContact O-CG 3.44Å; K403-M407 PolarHBondContact O-N 3.26Å; K403-T425 HydrophobicContact CD-CG2 4.44Å; K403-T425 HydrophobicContact CG-CG2 4.03Å
404	E	65.6	Low	68	Low	107 Å²	107	68.4 Å²	68.4	50%	0.5	34%	0.342	S	S	.	.	H	α-helix	trans	-62.6	-47.7	176.7	-73.2	-173.3	176.8	0	0	112.2	E400 F402 A406 M407 V408	E400-E404 PolarHBondContact O-N 2.85Å; F402-E404 VanDerWaalsContact C-N 3.33Å; F402-E404 PolarHBondContact O-N 2.91Å; E404-A406 VanDerWaalsContact C-N 3.35Å; E404-A406 PolarHBondContact O-N 3Å; E404-M407 PolarHBondContact O-N 3.24Å; E404-V408 WeakPolarHBondContact O-CG2 3.45Å; E404-V408 PolarHBondContact O-N 2.86Å; E404-V408 VanDerWaalsContact O-N 3.1Å
405	E	66.8	Low	69.4	Low	43 Å²	43	65.8 Å²	65.8	20%	0.201	34%	0.337	C	S	.	.	H	α-helix	trans	-64.8	-39.9	179.1	-72.9	-179	-164.6	0	0	111.9	M397 D401 F402 V408 M409 R504	M397-E405 HydrophobicContact CE-CB 4.42Å; M397-E405 HydrophobicContact CE-CG 4.45Å; M397-E405 WeakPolarHBondContact CE-OE2 3.47Å; D401-E405 WeakPolarHBondContact O-CB 3.27Å; D401-E405 VanDerWaalsContact O-CG 3.27Å; D401-E405 WeakPolarHBondContact O-CG 3.38Å; D401-E405 PolarHBondContact O-N 2.79Å; F402-E405 PolarHBondContact O-N 3.27Å; E405-V408 PolarHBondContact O-N 2.91Å; E405-M409 WeakPolarHBondContact O-CB 3.42Å; E405-M409 PolarHBondContact O-N 2.87Å; E405-R504 VanDerWaalsContact CD-CZ 3.5Å; E405-R504 IonicContact OE1-CZ 3.51Å; E405-R504 IonicContact OE1-NH1 3.44Å; E405-R504 PolarHBondContact OE1-NH1 2.69Å; E405-R504 IonicContact OE1-NH2 2.83Å; E405-R504 PolarHBondContact OE1-NH2 2.72Å; E405-R504 IonicContact OE2-CZ 3.43Å; E405-R504 IonicContact OE2-NH1 2.68Å; E405-R504 IonicContact OE2-NH2 2.68Å; E405-R504 PolarHBondContact OE2-NH2 2.99Å
406	A	70.1	Confident	71	Confident	4 Å²	4	59 Å²	59	3%	0.033	30%	0.3	C	S	.	.	H	α-helix	trans	-63.9	-44.8	174.9	0	0	0	0	0	111.5	F402 K403 E404 V408 M409 M410 V423 L432	F402-A406 HydrophobicContact CE1-CB 4.24Å; F402-A406 HydrophobicContact CZ-CB 4.44Å; F402-A406 WeakPolarHBondContact O-CB 3.44Å; F402-A406 PolarHBondContact O-N 3.32Å; K403-A406 PolarHBondContact O-N 3.2Å; E404-A406 VanDerWaalsContact C-N 3.35Å; E404-A406 PolarHBondContact O-N 3Å; A406-V408 VanDerWaalsContact C-N 3.26Å; A406-V408 PolarHBondContact O-N 2.84Å; A406-M409 CarbonylContact O-C 3.57Å; A406-M409 WeakPolarHBondContact O-CB 3.48Å; A406-M409 PolarHBondContact O-N 2.82Å; A406-M409 VanDerWaalsContact O-N 3.11Å; A406-M410 VanDerWaalsContact O-CG 3.24Å; A406-M410 WeakPolarHBondContact O-CG 3.34Å; A406-M410 PolarHBondContact O-N 2.8Å; A406-V423 HydrophobicContact CB-CG1 3.75Å; A406-L432 HydrophobicContact CB-CD2 4.23Å
407	M	70.3	Confident	72.9	Confident	97 Å²	97	55.7 Å²	55.7	48%	0.478	28%	0.277	S	S	.	.	H	α-helix	trans	-59.3	-37.8	176.8	-78	-175.2	-167.8	0	0	112.5	K403 E404	K403-M407 WeakPolarHBondContact O-CB 3.47Å; K403-M407 VanDerWaalsContact O-CG 3.26Å; K403-M407 WeakPolarHBondContact O-CG 3.44Å; K403-M407 PolarHBondContact O-N 3.26Å; E404-M407 PolarHBondContact O-N 3.24Å
408	V	69.3	Low	74.5	Confident	49 Å²	49	53.1 Å²	53.1	30%	0.297	26%	0.264	S	S	.	.	H	α-helix	trans	-67.7	-44.4	175.3	173.7	0	0	0	0	110.4	E404 E405 A406 M410 R411 F477 F505	E404-V408 WeakPolarHBondContact O-CG2 3.45Å; E404-V408 PolarHBondContact O-N 2.86Å; E404-V408 VanDerWaalsContact O-N 3.1Å; E405-V408 PolarHBondContact O-N 2.91Å; A406-V408 VanDerWaalsContact C-N 3.26Å; A406-V408 PolarHBondContact O-N 2.84Å; V408-M410 VanDerWaalsContact C-N 3.32Å; V408-M410 PolarHBondContact O-N 3.38Å; V408-R411 WeakPolarHBondContact O-CB 3.45Å; V408-R411 PolarHBondContact O-N 2.9Å; V408-F477 HydrophobicContact CG1-CE1 3.46Å; V408-F477 VanDerWaalsContact CG1-CE1 3.46Å; V408-F477 HydrophobicContact CG1-CZ 3.43Å; V408-F477 VanDerWaalsContact CG1-CZ 3.43Å; V408-F505 HydrophobicContact CG1-CB 3.94Å
409	M	70.1	Confident	75.7	Confident	17 Å²	17	52.4 Å²	52.4	8%	0.084	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-35.3	175.8	177.8	171.4	57.9	0	0	112.7	E405 A406 R411 L412 L420 L432 F434 F500	E405-M409 WeakPolarHBondContact O-CB 3.42Å; E405-M409 PolarHBondContact O-N 2.87Å; A406-M409 CarbonylContact O-C 3.57Å; A406-M409 WeakPolarHBondContact O-CB 3.48Å; A406-M409 PolarHBondContact O-N 2.82Å; A406-M409 VanDerWaalsContact O-N 3.11Å; M409-R411 PolarHBondContact O-N 2.85Å; M409-L412 VanDerWaalsContact O-CB 3.32Å; M409-L412 WeakPolarHBondContact O-CB 3.38Å; M409-L412 PolarHBondContact O-N 2.97Å; M409-L420 HydrophobicContact CB-CD2 4.32Å; M409-L420 HydrophobicContact CE-CD1 4.45Å; M409-L420 HydrophobicContact CE-CD2 3.47Å; M409-L420 VanDerWaalsContact CE-CD2 3.47Å; M409-L420 HydrophobicContact CG-CD2 3.85Å; M409-L420 HydrophobicContact SD-CD2 4.19Å; M409-L432 HydrophobicContact CE-CD1 3.75Å; M409-L432 HydrophobicContact CE-CD2 3.71Å; M409-L432 HydrophobicContact CE-CG 4.35Å; M409-F434 HydrophobicContact CE-CZ 4.14Å; M409-F434 HydrophobicContact SD-CE1 4.39Å; M409-F434 HydrophobicContact SD-CZ 4.25Å; M409-F500 HydrophobicContact CG-CB 4.11Å; M409-F500 HydrophobicContact CG-CD2 4.04Å; M409-F500 HydrophobicContact CG-CG 4.37Å; M409-F500 HydrophobicContact SD-CB 3.57Å; M409-F500 VanDerWaalsContact SD-CB 3.57Å; M409-F500 HydrophobicContact SD-CD2 3.81Å; M409-F500 HydrophobicContact SD-CG 4.15Å
410	M	74	Confident	76.8	Confident	37 Å²	37	47.9 Å²	47.9	18%	0.182	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-19	178	-74.7	-164	82	0	0	114.1	W356 A406 V408 L412 L420	W356-M410 HydrophobicContact CB-CE 3.46Å; W356-M410 VanDerWaalsContact CB-CE 3.46Å; W356-M410 HydrophobicContact CB-SD 3.54Å; W356-M410 VanDerWaalsContact CB-SD 3.54Å; W356-M410 HydrophobicContact CG-CE 3.45Å; W356-M410 VanDerWaalsContact CG-CE 3.45Å; W356-M410 HydrophobicContact CG-SD 3.72Å; A406-M410 VanDerWaalsContact O-CG 3.24Å; A406-M410 WeakPolarHBondContact O-CG 3.34Å; A406-M410 PolarHBondContact O-N 2.8Å; V408-M410 VanDerWaalsContact C-N 3.32Å; V408-M410 PolarHBondContact O-N 3.38Å; M410-L412 PolarHBondContact O-N 3.28Å; M410-L420 HydrophobicContact CB-CD2 4.45Å; M410-L420 HydrophobicContact CG-CD2 3.4Å; M410-L420 VanDerWaalsContact CG-CD2 3.4Å; M410-L420 HydrophobicContact CG-CG 4.11Å
411	R	72.9	Confident	77.8	Confident	195 Å²	195	45 Å²	45	74%	0.736	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-17	174.8	-62.7	176.5	-175.5	-173.3	1	112.4	V408 M409 S413	V408-R411 WeakPolarHBondContact O-CB 3.45Å; V408-R411 PolarHBondContact O-N 2.9Å; M409-R411 PolarHBondContact O-N 2.85Å; R411-S413 PolarHBondContact O-N 3.49Å
412	L	77.2	Confident	78.9	Confident	9 Å²	9	44.1 Å²	44.1	5%	0.047	21%	0.213	C	C	.	.			trans	-78.9	120.1	179.3	-58.9	174.8	0	0	0	109.7	M409 M410 L417 Q419 Y471 L472 F477 F500	M409-L412 VanDerWaalsContact O-CB 3.32Å; M409-L412 WeakPolarHBondContact O-CB 3.38Å; M409-L412 PolarHBondContact O-N 2.97Å; M410-L412 PolarHBondContact O-N 3.28Å; L412-L417 HydrophobicContact CB-CD1 4.32Å; L412-Q419 PolarHBondContact O-NE2 3.42Å; L412-Y471 HydrophobicContact CB-CE1 4.36Å; L412-Y471 HydrophobicContact CD2-CE1 3.89Å; L412-L472 HydrophobicContact CD1-CD2 3.79Å; L412-L472 HydrophobicContact CD2-CD2 3.9Å; L412-L472 HydrophobicContact CG-CD2 4.43Å; L412-F477 HydrophobicContact CD1-CD1 4.15Å; L412-F477 HydrophobicContact CD1-CE1 4.06Å; L412-F477 HydrophobicContact CD1-CG 4.48Å; L412-F477 HydrophobicContact CD1-CZ 4.39Å; L412-F477 HydrophobicContact CD2-CD1 4.41Å; L412-F477 HydrophobicContact CD2-CD2 3.67Å; L412-F477 HydrophobicContact CD2-CE1 4.28Å; L412-F477 HydrophobicContact CD2-CE2 3.57Å; L412-F477 HydrophobicContact CD2-CG 4.09Å; L412-F477 HydrophobicContact CD2-CZ 3.87Å; L412-F477 HydrophobicContact CG-CE1 4.35Å; L412-F477 HydrophobicContact CG-CE2 4.37Å; L412-F477 HydrophobicContact CG-CZ 4.17Å; L412-F500 HydrophobicContact CD1-CD1 4.38Å
413	S	82.3	Confident	79.8	Confident	44 Å²	44	44.4 Å²	44.4	31%	0.308	22%	0.216	S	C	.	.			trans	-145.4	111.7	174.5	-168.2	0	0	0	0	109.9	R411 Q419 Y471	R411-S413 PolarHBondContact O-N 3.49Å; S413-Q419 PolarHBondContact OG-OE1 3.42Å; S413-Y471 PolarHBondContact N-OH 3.14Å; S413-Y471 VanDerWaalsContact N-OH 3.13Å; S413-Y471 PolarHBondContact O-OH 3.12Å
414	H	85.8	Confident	80.7	Confident	40 Å²	40	40.3 Å²	40.3	19%	0.185	20%	0.198	C	C	.	.			trans	-154.8	146	-178.1	-177.3	-94.5	0	0	0	109.6	K416 L417 Y471	H414-K416 PolarHBondContact ND1-N 2.93Å; H414-K416 PolarHBondContact O-N 3.35Å; H414-L417 HydrophobicContact CB-CB 4.2Å; H414-L417 HydrophobicContact CB-CD1 4.07Å; H414-L417 HydrophobicContact CB-CG 3.9Å; H414-L417 PolarHBondContact O-N 2.84Å; H414-Y471 HydrophobicContact CB-CD1 3.63Å; H414-Y471 HydrophobicContact CB-CD2 4.21Å; H414-Y471 HydrophobicContact CB-CE1 3.87Å; H414-Y471 HydrophobicContact CB-CE2 4.44Å; H414-Y471 HydrophobicContact CB-CG 3.79Å; H414-Y471 AromaticContact CD2-CD2 3.92Å; H414-Y471 AromaticContact CD2-CG 3.79Å; H414-Y471 AromaticContact CG-CG 3.81Å
415	C	91	Very high	81.5	Confident	75 Å²	75	36.2 Å²	36.2	51%	0.507	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-24	-173.9	58.7	0	0	0	0	114	K496	C415-K496 WeakPolarHBondContact O-CE 3.34Å
416	K	94.6	Very high	82.1	Confident	16 Å²	16	40.2 Å²	40.2	7%	0.07	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	13	176.1	-53.2	-59.3	177.5	172.3	0	114.2	H414 D464 E467 E494 K496 V497	H414-K416 PolarHBondContact ND1-N 2.93Å; H414-K416 PolarHBondContact O-N 3.35Å; K416-D464 VanDerWaalsContact CB-O 3.25Å; K416-D464 WeakPolarHBondContact CB-O 3.48Å; K416-D464 HydrophobicContact CD-CB 4.02Å; K416-D464 WeakPolarHBondContact CE-OD1 3.41Å; K416-D464 WeakPolarHBondContact CG-O 3.45Å; K416-D464 VanDerWaalsContact NZ-CG 3.29Å; K416-D464 IonicContact NZ-OD1 3.51Å; K416-D464 PolarHBondContact NZ-OD1 2.81Å; K416-D464 IonicContact NZ-OD2 2.89Å; K416-E467 WeakPolarHBondContact CE-OE2 3.4Å; K416-E467 HydrophobicContact CG-CB 4.1Å; K416-E467 HydrophobicContact CG-CG 4.33Å; K416-E467 WeakPolarHBondContact CG-OE2 3.22Å; K416-E494 IonicContact NZ-OE1 3.73Å; K416-E494 PolarHBondContact NZ-OE1 3.33Å; K416-K496 CarbonylContact O-C 3.57Å; K416-K496 VanDerWaalsContact O-CA 3.31Å; K416-K496 WeakPolarHBondContact O-CA 3.44Å; K416-V497 PolarHBondContact O-N 3.2Å
417	L	91.7	Very high	82.2	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.021	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-112.9	141.9	169.6	-67	-168.5	0	0	0	109.1	L412 H414 Q419 Y471 L472 V497 F500	L412-L417 HydrophobicContact CB-CD1 4.32Å; H414-L417 HydrophobicContact CB-CB 4.2Å; H414-L417 HydrophobicContact CB-CD1 4.07Å; H414-L417 HydrophobicContact CB-CG 3.9Å; H414-L417 PolarHBondContact O-N 2.84Å; L417-Q419 PolarHBondContact O-N 2.85Å; L417-Y471 HydrophobicContact CD1-CD1 3.51Å; L417-Y471 HydrophobicContact CD1-CE1 3.67Å; L417-Y471 HydrophobicContact CG-CD1 4.35Å; L417-L472 HydrophobicContact CD1-CD2 3.65Å; L417-L472 HydrophobicContact CD1-CG 4.11Å; L417-L472 HydrophobicContact CD2-CD1 4.28Å; L417-L472 HydrophobicContact CD2-CG 4.25Å; L417-V497 HydrophobicContact CD2-CB 3.72Å; L417-V497 HydrophobicContact CD2-CG1 4.43Å; L417-V497 HydrophobicContact CD2-CG2 4.35Å; L417-F500 HydrophobicContact CB-CZ 3.91Å; L417-F500 HydrophobicContact CD1-CE1 4.22Å; L417-F500 HydrophobicContact CD1-CZ 4.1Å; L417-F500 HydrophobicContact CD2-CE1 3.95Å; L417-F500 HydrophobicContact CD2-CZ 3.94Å; L417-F500 HydrophobicContact CG-CZ 4.19Å
418	V	91.2	Very high	82.5	Confident	3 Å²	3	44.6 Å²	44.6	2%	0.018	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-69.1	116.1	174.6	174.9	0	0	0	0	108.8	L420 F434 E435 M437 L488 K496 V497 F500	V418-L420 PolarHBondContact O-N 2.91Å; V418-F434 HydrophobicContact CG1-CB 4.15Å; V418-F434 HydrophobicContact CG1-CD1 4.05Å; V418-F434 HydrophobicContact CG1-CG 4.44Å; V418-E435 WeakPolarHBondContact CA-OE1 3.47Å; V418-E435 HydrophobicContact CG1-CG 3.82Å; V418-M437 HydrophobicContact CG2-CG 4.46Å; V418-L488 HydrophobicContact CG1-CD1 4.42Å; V418-L488 HydrophobicContact CG2-CB 4.22Å; V418-L488 HydrophobicContact CG2-CD1 4.01Å; V418-L488 HydrophobicContact CG2-CG 4.3Å; V418-K496 HydrophobicContact CG2-CB 3.65Å; V418-K496 HydrophobicContact CG2-CD 4.5Å; V418-V497 WeakPolarHBondContact CG2-O 3.34Å; V418-V497 PolarHBondContact N-O 2.87Å; V418-F500 WeakPolarHBondContact O-CE2 3.22Å
419	Q	88.1	Confident	82.8	Confident	43 Å²	43	43.9 Å²	43.9	20%	0.201	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-71.6	124.1	-174.6	-172.3	61.8	68.1	0	0	111.2	L412 S413 L417 Y421 F434 E435	L412-Q419 PolarHBondContact O-NE2 3.42Å; S413-Q419 PolarHBondContact OG-OE1 3.42Å; L417-Q419 PolarHBondContact O-N 2.85Å; Q419-Y421 HydrophobicContact CB-CE1 4.18Å; Q419-Y421 HydrophobicContact CG-CD1 4.01Å; Q419-Y421 HydrophobicContact CG-CE1 3.85Å; Q419-F434 CarbonylContact O-C 3.43Å; Q419-F434 WeakPolarHBondContact O-CA 3.28Å; Q419-E435 HydrophobicContact CB-CG 4.45Å; Q419-E435 PolarHBondContact N-OE1 3.04Å; Q419-E435 PolarHBondContact O-N 3.35Å
420	L	87.6	Confident	83.3	Confident	7 Å²	7	43.9 Å²	43.9	4%	0.037	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	123.4	162.8	179.5	64.8	0	0	0	108.7	M409 M410 V418 G422 L432 F434	M409-L420 HydrophobicContact CB-CD2 4.32Å; M409-L420 HydrophobicContact CE-CD1 4.45Å; M409-L420 HydrophobicContact CE-CD2 3.47Å; M409-L420 VanDerWaalsContact CE-CD2 3.47Å; M409-L420 HydrophobicContact CG-CD2 3.85Å; M409-L420 HydrophobicContact SD-CD2 4.19Å; M410-L420 HydrophobicContact CB-CD2 4.45Å; M410-L420 HydrophobicContact CG-CD2 3.4Å; M410-L420 VanDerWaalsContact CG-CD2 3.4Å; M410-L420 HydrophobicContact CG-CG 4.11Å; V418-L420 PolarHBondContact O-N 2.91Å; L420-G422 WeakPolarHBondContact CD1-O 3.34Å; L420-L432 HydrophobicContact CD1-CB 4.01Å; L420-L432 HydrophobicContact CD1-CD2 4.06Å; L420-L432 HydrophobicContact CD2-CD2 4.48Å; L420-F434 HydrophobicContact CB-CD1 3.97Å; L420-F434 HydrophobicContact CB-CE1 3.78Å; L420-F434 HydrophobicContact CD1-CD1 4Å; L420-F434 HydrophobicContact CD1-CD2 4.38Å; L420-F434 HydrophobicContact CD1-CE1 3.72Å; L420-F434 HydrophobicContact CD1-CE2 4.14Å; L420-F434 HydrophobicContact CD1-CG 4.33Å; L420-F434 HydrophobicContact CD1-CZ 3.8Å; L420-F434 HydrophobicContact CG-CE1 4.28Å
421	Y	86.1	Confident	83.8	Confident	41 Å²	41	42.2 Å²	42.2	16%	0.161	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-39.6	175.7	-63.6	-39.3	0	0	0	112.3	W382 R385 V387 Q419 V433 E435	W382-Y421 HydrophobicContact CE3-CD2 4.48Å; W382-Y421 HydrophobicContact CZ3-CG 4.33Å; R385-Y421 PolarHBondContact NE-OH 2.76Å; R385-Y421 VanDerWaalsContact NH1-CE1 3.29Å; R385-Y421 PolarHBondContact NH1-OH 3.45Å; R385-Y421 PolarHBondContact NH2-OH 3.03Å; V387-Y421 HydrophobicContact CG1-CD2 3.95Å; V387-Y421 HydrophobicContact CG1-CE2 3.99Å; Q419-Y421 HydrophobicContact CB-CE1 4.18Å; Q419-Y421 HydrophobicContact CG-CD1 4.01Å; Q419-Y421 HydrophobicContact CG-CE1 3.85Å; Y421-V433 WeakPolarHBondContact CB-O 3.24Å; Y421-V433 HydrophobicContact CD2-CG1 4.48Å; Y421-V433 PolarHBondContact N-O 3.5Å; Y421-E435 HydrophobicContact CE1-CB 4.43Å; Y421-E435 VanDerWaalsContact CE2-CA 3.5Å; Y421-E435 HydrophobicContact CE2-CB 3.96Å; Y421-E435 WeakPolarHBondContact OH-CA 3.47Å; Y421-E435 WeakPolarHBondContact OH-CB 3.33Å
422	G	87.3	Confident	84.5	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.8	-177.4	-176.8	0	0	0	0	0	112.7	W356 L420 V433	W356-G422 CarbonylContact O-C 3.55Å; W356-G422 WeakPolarHBondContact O-CA 3.46Å; L420-G422 WeakPolarHBondContact CD1-O 3.34Å; G422-V433 PolarHBondContact N-O 2.91Å; G422-V433 PolarHBondContact O-N 2.95Å
423	V	86.5	Confident	85.1	Confident	15 Å²	15	32.9 Å²	32.9	9%	0.091	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.1	178.3	-55.4	0	0	0	0	109	W356 E357 I358 F402 A406 T425 C431 L432	W356-V423 PolarHBondContact O-N 3.25Å; E357-V423 CarbonylContact C-O 3.55Å; E357-V423 VanDerWaalsContact CA-O 3.28Å; E357-V423 WeakPolarHBondContact CA-O 3.38Å; I358-V423 PolarHBondContact N-O 3.47Å; F402-V423 HydrophobicContact CE1-CB 4.43Å; F402-V423 HydrophobicContact CE1-CG1 4.41Å; A406-V423 HydrophobicContact CB-CG1 3.75Å; V423-T425 HydrophobicContact CG2-CG2 4.19Å; V423-C431 CarbonylContact C-O 3.53Å; V423-C431 WeakPolarHBondContact CA-O 3.36Å; V423-L432 HydrophobicContact CG1-CD2 3.6Å
424	C	87.1	Confident	85.6	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	100	171.5	153.6	0	0	0	0	107.3	I358 C431	I358-C424 HydrophobicContact CB-CB 4.43Å; I358-C424 WeakPolarHBondContact O-CB 3.34Å; C424-C431 WeakPolarHBondContact CB-SG 3.33Å; C424-C431 PolarHBondContact N-O 2.85Å; C424-C431 PolarHBondContact O-N 2.95Å; C424-C431 VanDerWaalsContact O-N 3.15Å
425	T	80.8	Confident	85.8	Confident	21 Å²	21	31 Å²	31	13%	0.129	16%	0.162	C	C	.	.			trans	-96	-10	-176.8	41.3	0	0	0	0	114.1	E357 F402 K403 V423 R427 I430	E357-T425 PolarHBondContact OE1-OG1 3.15Å; F402-T425 HydrophobicContact CD1-CG2 4.41Å; F402-T425 HydrophobicContact CE1-CG2 4.2Å; K403-T425 HydrophobicContact CD-CG2 4.44Å; K403-T425 HydrophobicContact CG-CG2 4.03Å; V423-T425 HydrophobicContact CG2-CG2 4.19Å; T425-R427 PolarHBondContact O-N 3.48Å; T425-I430 HydrophobicContact CG2-CD1 4.36Å; T425-I430 HydrophobicContact CG2-CG1 4.48Å; T425-I430 HydrophobicContact CG2-CG2 3.7Å
426	Q	79.4	Confident	85.8	Confident	128 Å²	128	29.7 Å²	29.7	60%	0.598	15%	0.147	S	C	*	.	S	Bend	trans	-79.8	-6	178.4	-59.7	177.5	12.1	0	0	113.3	E357 P360	E357-Q426 WeakPolarHBondContact OE1-CG 3.48Å; P360-Q426 HydrophobicContact CG-CB 3.8Å
427	R	73.5	Confident	85.8	Confident	106 Å²	106	29.5 Å²	29.5	40%	0.4	15%	0.146	S	C	.	.	S	Bend	trans	-113.1	143.5	179	-157.9	177.8	-164	164.2	6	109.9	P360 T425 P429 I430	P360-R427 HydrophobicContact CG-CB 4.43Å; T425-R427 PolarHBondContact O-N 3.48Å; R427-P429 CarbonylContact O-C 3.57Å; R427-I430 WeakPolarHBondContact O-CA 3.33Å; R427-I430 PolarHBondContact O-N 2.88Å
428	S	75.4	Confident	85.7	Confident	86 Å²	86	34 Å²	34	60%	0.601	17%	0.167	S	C	*	.	S	Bend	trans	-106.6	128.3	168	-148.4	0	0	0	0	110.4	E394	E394-S428 PolarHBondContact OE1-OG 2.99Å
429	P	75.3	Confident	85.8	Confident	35 Å²	35	35.8 Å²	35.8	23%	0.227	18%	0.18	C	C	.	.	S	Bend	cis	-70.8	153.5	-6	27.8	-33.7	0	0	0	113.1	M391 V392 E394 R427	M391-P429 HydrophobicContact CB-CG 4.11Å; M391-P429 HydrophobicContact CE-CG 3.45Å; M391-P429 VanDerWaalsContact CE-CG 3.45Å; V392-P429 WeakPolarHBondContact O-CB 3.47Å; E394-P429 HydrophobicContact CG-CB 4.36Å; R427-P429 CarbonylContact O-C 3.57Å
430	I	81.4	Confident	86	Confident	16 Å²	16	35.2 Å²	35.2	8%	0.082	19%	0.186	C	C	.	.			trans	-59.3	142.7	175.7	-60.8	170.9	0	0	0	110	V392 D399 F402 T425 R427	V392-I430 PolarHBondContact N-O 3.2Å; D399-I430 HydrophobicContact CB-CD1 3.99Å; D399-I430 WeakPolarHBondContact OD1-CD1 3.49Å; F402-I430 HydrophobicContact CD1-CD1 4.18Å; F402-I430 HydrophobicContact CD1-CG2 3.66Å; F402-I430 HydrophobicContact CE1-CB 4.35Å; F402-I430 HydrophobicContact CE1-CG2 3.14Å; F402-I430 HydrophobicContact CE2-CG2 4.36Å; F402-I430 HydrophobicContact CG-CG2 4.45Å; F402-I430 HydrophobicContact CZ-CG2 3.5Å; T425-I430 HydrophobicContact CG2-CD1 4.36Å; T425-I430 HydrophobicContact CG2-CG1 4.48Å; T425-I430 HydrophobicContact CG2-CG2 3.7Å; R427-I430 WeakPolarHBondContact O-CA 3.33Å; R427-I430 PolarHBondContact O-N 2.88Å
431	C	85.3	Confident	86.3	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.014	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.6	179.2	65.2	0	0	0	0	114.8	V389 K390 M391 V423 C424	V389-C431 HydrophobicContact CG1-CB 3.62Å; K390-C431 CarbonylContact O-C 3.2Å; K390-C431 VanDerWaalsContact O-CA 3.22Å; K390-C431 WeakPolarHBondContact O-CA 3.36Å; M391-C431 HydrophobicContact CG-CB 4.27Å; V423-C431 CarbonylContact C-O 3.53Å; V423-C431 WeakPolarHBondContact CA-O 3.36Å; C424-C431 WeakPolarHBondContact CB-SG 3.33Å; C424-C431 PolarHBondContact N-O 2.85Å; C424-C431 PolarHBondContact O-N 2.95Å; C424-C431 VanDerWaalsContact O-N 3.15Å
432	L	87.4	Confident	86.8	Confident	8 Å²	8	34.7 Å²	34.7	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.9	173.6	-63.7	167.1	0	0	0	108.6	V389 K390 V392 F402 A406 M409 L420 V423 F434	V389-L432 WeakPolarHBondContact CA-O 3.15Å; K390-L432 HydrophobicContact CB-CB 4.35Å; K390-L432 HydrophobicContact CD-CD1 4.49Å; K390-L432 PolarHBondContact N-O 3.44Å; K390-L432 PolarHBondContact O-N 3.33Å; V392-L432 HydrophobicContact CG2-CD1 4.42Å; F402-L432 HydrophobicContact CE1-CD2 4.26Å; F402-L432 HydrophobicContact CE2-CD1 4.05Å; F402-L432 HydrophobicContact CE2-CD2 3.82Å; F402-L432 HydrophobicContact CE2-CG 3.87Å; F402-L432 HydrophobicContact CZ-CD1 4.31Å; F402-L432 HydrophobicContact CZ-CD2 3.31Å; F402-L432 HydrophobicContact CZ-CG 3.62Å; A406-L432 HydrophobicContact CB-CD2 4.23Å; M409-L432 HydrophobicContact CE-CD1 3.75Å; M409-L432 HydrophobicContact CE-CD2 3.71Å; M409-L432 HydrophobicContact CE-CG 4.35Å; L420-L432 HydrophobicContact CD1-CB 4.01Å; L420-L432 HydrophobicContact CD1-CD2 4.06Å; L420-L432 HydrophobicContact CD2-CD2 4.48Å; V423-L432 HydrophobicContact CG1-CD2 3.6Å; L432-F434 HydrophobicContact CB-CD2 4.05Å; L432-F434 HydrophobicContact CB-CE2 3.35Å; L432-F434 HydrophobicContact CB-CZ 3.99Å; L432-F434 HydrophobicContact CD1-CE2 3.95Å; L432-F434 HydrophobicContact CD1-CZ 4.02Å; L432-F434 HydrophobicContact CG-CE2 4.26Å
433	V	90.2	Very high	87.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	113.5	-178.1	-173.7	0	0	0	0	109.8	I358 L363 V387 Y421 G422	I358-V433 HydrophobicContact CD1-CB 3.59Å; I358-V433 HydrophobicContact CD1-CG1 3.98Å; I358-V433 HydrophobicContact CD1-CG2 3.59Å; L363-V433 HydrophobicContact CD1-CG1 4.36Å; L363-V433 HydrophobicContact CD1-CG2 4.28Å; L363-V433 HydrophobicContact CD2-CG2 3.89Å; V387-V433 HydrophobicContact CB-CG1 3.74Å; V387-V433 HydrophobicContact CG1-CG1 3.91Å; V387-V433 HydrophobicContact CG2-CG1 3.82Å; Y421-V433 WeakPolarHBondContact CB-O 3.24Å; Y421-V433 HydrophobicContact CD2-CG1 4.48Å; Y421-V433 PolarHBondContact N-O 3.5Å; G422-V433 PolarHBondContact N-O 2.91Å; G422-V433 PolarHBondContact O-N 2.95Å
434	F	91.5	Very high	87.7	Confident	15 Å²	15	36.8 Å²	36.8	7%	0.066	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	165.8	-176.7	-66.8	-87.2	0	0	0	112.5	V387 A388 K390 M409 V418 Q419 L420 L432	V387-F434 WeakPolarHBondContact CA-O 3.49Å; V387-F434 WeakPolarHBondContact CB-O 3.43Å; A388-F434 HydrophobicContact CB-CB 4.43Å; A388-F434 PolarHBondContact N-O 2.88Å; A388-F434 PolarHBondContact O-N 3.09Å; K390-F434 HydrophobicContact CB-CD2 4.42Å; K390-F434 HydrophobicContact CB-CE2 4.14Å; K390-F434 HydrophobicContact CD-CE2 4.46Å; M409-F434 HydrophobicContact CE-CZ 4.14Å; M409-F434 HydrophobicContact SD-CE1 4.39Å; M409-F434 HydrophobicContact SD-CZ 4.25Å; V418-F434 HydrophobicContact CG1-CB 4.15Å; V418-F434 HydrophobicContact CG1-CD1 4.05Å; V418-F434 HydrophobicContact CG1-CG 4.44Å; Q419-F434 CarbonylContact O-C 3.43Å; Q419-F434 WeakPolarHBondContact O-CA 3.28Å; L420-F434 HydrophobicContact CB-CD1 3.97Å; L420-F434 HydrophobicContact CB-CE1 3.78Å; L420-F434 HydrophobicContact CD1-CD1 4Å; L420-F434 HydrophobicContact CD1-CD2 4.38Å; L420-F434 HydrophobicContact CD1-CE1 3.72Å; L420-F434 HydrophobicContact CD1-CE2 4.14Å; L420-F434 HydrophobicContact CD1-CG 4.33Å; L420-F434 HydrophobicContact CD1-CZ 3.8Å; L420-F434 HydrophobicContact CG-CE1 4.28Å; L432-F434 HydrophobicContact CB-CD2 4.05Å; L432-F434 HydrophobicContact CB-CE2 3.35Å; L432-F434 HydrophobicContact CB-CZ 3.99Å; L432-F434 HydrophobicContact CD1-CE2 3.95Å; L432-F434 HydrophobicContact CD1-CZ 4.02Å; L432-F434 HydrophobicContact CG-CE2 4.26Å
435	E	90.5	Very high	88.1	Confident	29 Å²	29	37.3 Å²	37.3	14%	0.136	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	137.1	163	76.5	178.5	123.8	0	0	112	V418 Q419 Y421 M437 K496	V418-E435 WeakPolarHBondContact CA-OE1 3.47Å; V418-E435 HydrophobicContact CG1-CG 3.82Å; Q419-E435 HydrophobicContact CB-CG 4.45Å; Q419-E435 PolarHBondContact N-OE1 3.04Å; Q419-E435 PolarHBondContact O-N 3.35Å; Y421-E435 HydrophobicContact CE1-CB 4.43Å; Y421-E435 VanDerWaalsContact CE2-CA 3.5Å; Y421-E435 HydrophobicContact CE2-CB 3.96Å; Y421-E435 WeakPolarHBondContact OH-CA 3.47Å; Y421-E435 WeakPolarHBondContact OH-CB 3.33Å; E435-M437 HydrophobicContact CG-SD 4.11Å; E435-K496 IonicContact OE1-NZ 3.64Å; E435-K496 PolarHBondContact OE1-NZ 3.16Å; E435-K496 IonicContact OE2-NZ 2.63Å; E435-K496 PolarHBondContact OE2-NZ 3.4Å
436	Y	91.9	Very high	89	Confident	48 Å²	48	36.3 Å²	36.3	19%	0.188	20%	0.202	C	C	.	.			trans	-82.2	134.2	176.8	-176.6	-96.4	0	0	0	110.8	I369 E379 K386 A388 E438	I369-Y436 HydrophobicContact CD1-CD2 4.23Å; I369-Y436 HydrophobicContact CD1-CE2 3.84Å; E379-Y436 HydrophobicContact CG-CE2 4.25Å; K386-Y436 HydrophobicContact CD-CD1 3.67Å; K386-Y436 HydrophobicContact CD-CE1 3.83Å; K386-Y436 HydrophobicContact CD-CG 4.06Å; K386-Y436 HydrophobicContact CG-CD1 3.99Å; K386-Y436 HydrophobicContact CG-CD2 4.34Å; K386-Y436 HydrophobicContact CG-CG 3.87Å; K386-Y436 PolarHBondContact NZ-OH 3.12Å; A388-Y436 HydrophobicContact CB-CD2 4.33Å; Y436-E438 HydrophobicContact CD1-CG 4.1Å; Y436-E438 HydrophobicContact CE1-CB 4.29Å; Y436-E438 HydrophobicContact CE1-CG 3.97Å
437	M	92.9	Very high	89.8	Confident	13 Å²	13	37.4 Å²	37.4	6%	0.064	20%	0.2	C	C	.	.			trans	-115.9	110.7	-177.5	-60.3	-69.4	-73.3	0	0	109.5	V418 E435 S439 G440 L488 T490 K496	V418-M437 HydrophobicContact CG2-CG 4.46Å; E435-M437 HydrophobicContact CG-SD 4.11Å; M437-S439 VanDerWaalsContact C-N 3.29Å; M437-S439 PolarHBondContact O-N 2.71Å; M437-G440 PolarHBondContact O-N 3.04Å; M437-L488 HydrophobicContact CB-CB 3.76Å; M437-L488 HydrophobicContact CB-CD1 4Å; M437-L488 HydrophobicContact CB-CG 4.45Å; M437-L488 HydrophobicContact CE-CB 3.83Å; M437-L488 WeakPolarHBondContact CE-O 3.4Å; M437-L488 HydrophobicContact CG-CB 3.62Å; M437-L488 HydrophobicContact CG-CD1 3.64Å; M437-L488 HydrophobicContact CG-CG 4.27Å; M437-T490 HydrophobicContact CE-CG2 3.43Å; M437-T490 VanDerWaalsContact CE-CG2 3.43Å; M437-T490 HydrophobicContact SD-CG2 4.12Å; M437-K496 HydrophobicContact CE-CB 3.9Å; M437-K496 HydrophobicContact CE-CD 3.83Å; M437-K496 HydrophobicContact CE-CG 3.79Å; M437-K496 HydrophobicContact SD-CD 4.08Å
438	E	90.4	Very high	90.9	Very high	98 Å²	98	38.1 Å²	38.1	46%	0.458	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-22.7	-164.2	-54.7	94.1	151.2	0	0	114.4	Y436 K491	Y436-E438 HydrophobicContact CD1-CG 4.1Å; Y436-E438 HydrophobicContact CE1-CB 4.29Å; Y436-E438 HydrophobicContact CE1-CG 3.97Å; E438-K491 HydrophobicContact CB-CB 4.49Å; E438-K491 PolarHBondContact OE2-N 3.09Å
439	S	92.9	Very high	91.8	Very high	40 Å²	40	36.9 Å²	36.9	28%	0.28	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	10.3	-177.5	-62	0	0	0	0	113.5	M437 V489	M437-S439 VanDerWaalsContact C-N 3.29Å; M437-S439 PolarHBondContact O-N 2.71Å; S439-V489 WeakPolarHBondContact CB-O 3.32Å; S439-V489 PolarHBondContact N-O 2.95Å
440	G	92.7	Very high	92.8	Very high	32 Å²	32	42 Å²	42	33%	0.33	21%	0.211	S	C	.	.			trans	65.1	-155.5	175.9	0	0	0	0	0	113.4	M437 L488 V489	M437-G440 PolarHBondContact O-N 3.04Å; G440-L488 WeakPolarHBondContact O-CA 3.46Å; G440-V489 PolarHBondContact O-N 3.45Å
441	C	93.8	Very high	93.5	Very high	37 Å²	37	44.4 Å²	44.4	25%	0.25	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-79.1	146.2	-178.2	72.3	0	0	0	0	112.9	S443 A444 Y445 R485 C487 L488	C441-S443 VanDerWaalsContact C-N 3.26Å; C441-S443 PolarHBondContact O-N 2.71Å; C441-A444 PolarHBondContact O-N 2.65Å; C441-Y445 PolarHBondContact O-N 3.18Å; C441-R485 WeakPolarHBondContact CB-O 3.47Å; C441-C487 CarbonylContact C-O 3.54Å; C441-C487 VanDerWaalsContact CA-O 3.26Å; C441-C487 WeakPolarHBondContact CA-O 3.41Å; C441-L488 HydrophobicContact CB-CD2 3.93Å
442	L	97.2	Very high	93.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-38.1	-176.4	176.8	66.4	0	0	0	111.5	A444 Y445 L446 M461 A484 C487 V489 V495 I550	L442-A444 PolarHBondContact O-N 2.91Å; L442-Y445 PolarHBondContact O-N 3.23Å; L442-L446 HydrophobicContact CD1-CD1 4.16Å; L442-L446 HydrophobicContact CD1-CD2 4.16Å; L442-L446 HydrophobicContact CD1-CG 3.85Å; L442-L446 HydrophobicContact CG-CD1 3.86Å; L442-L446 HydrophobicContact CG-CG 4.07Å; L442-L446 WeakPolarHBondContact O-CB 3.31Å; L442-L446 WeakPolarHBondContact O-CG 3.18Å; L442-L446 PolarHBondContact O-N 2.95Å; L442-M461 HydrophobicContact CD1-CE 4.37Å; L442-M461 HydrophobicContact CD1-SD 3.82Å; L442-A484 HydrophobicContact CB-CB 4.46Å; L442-A484 WeakPolarHBondContact CB-O 3.38Å; L442-A484 HydrophobicContact CD2-CB 4.23Å; L442-A484 HydrophobicContact CG-CB 4.29Å; L442-A484 PolarHBondContact N-O 3.38Å; L442-C487 HydrophobicContact CB-CB 3.92Å; L442-C487 HydrophobicContact CD2-CB 4.07Å; L442-C487 PolarHBondContact N-O 2.95Å; L442-V489 HydrophobicContact CB-CG2 3.9Å; L442-V489 HydrophobicContact CD1-CG2 3.74Å; L442-V489 HydrophobicContact CG-CG2 4.46Å; L442-V495 HydrophobicContact CD1-CG2 4.07Å; L442-V495 HydrophobicContact CD2-CG1 4.08Å; L442-V495 HydrophobicContact CD2-CG2 4.42Å; L442-I550 HydrophobicContact CD2-CD1 4.13Å; L442-I550 HydrophobicContact CD2-CG1 4.04Å
443	S	95.8	Very high	94.2	Very high	16 Å²	16	54.4 Å²	54.4	11%	0.112	28%	0.279	C	S	.	.	H	α-helix	trans	-60.1	-40.8	175.8	177.4	0	0	0	0	113.5	C441 R447 A484	C441-S443 VanDerWaalsContact C-N 3.26Å; C441-S443 PolarHBondContact O-N 2.71Å; S443-R447 WeakPolarHBondContact O-CG 3.46Å; S443-R447 PolarHBondContact O-N 3.35Å; S443-R447 PolarHBondContact O-NE 3.17Å; S443-R447 VanDerWaalsContact O-NE 3.14Å; S443-A484 PolarHBondContact N-O 3.06Å
444	A	95.4	Very high	94.5	Very high	42 Å²	42	57.3 Å²	57.3	35%	0.347	30%	0.299	S	S	.	.	H	α-helix	trans	-71.6	-44.4	176	0	0	0	0	0	110.8	C441 L442 L446 R447 E448	C441-A444 PolarHBondContact O-N 2.65Å; L442-A444 PolarHBondContact O-N 2.91Å; A444-L446 PolarHBondContact O-N 3.17Å; A444-R447 PolarHBondContact O-N 3.34Å; A444-E448 PolarHBondContact O-N 3.26Å
445	Y	97.3	Very high	94.6	Very high	12 Å²	12	61.3 Å²	61.3	5%	0.047	32%	0.318	C	S	.	.	H	α-helix	trans	-56.6	-48	177.6	-177.9	-86.5	0	0	0	112.5	C441 L442 R447 E448 K449 L453 M461 V489 N493	C441-Y445 PolarHBondContact O-N 3.18Å; L442-Y445 PolarHBondContact O-N 3.23Å; Y445-R447 VanDerWaalsContact C-N 3.31Å; Y445-R447 PolarHBondContact O-N 3.24Å; Y445-E448 PolarHBondContact O-N 2.72Å; Y445-K449 HydrophobicContact CD1-CG 4.26Å; Y445-K449 HydrophobicContact CE1-CG 3.82Å; Y445-K449 HydrophobicContact CE2-CG 4.25Å; Y445-K449 WeakPolarHBondContact O-CG 3.27Å; Y445-K449 PolarHBondContact O-N 2.66Å; Y445-L453 HydrophobicContact CE1-CD2 4.04Å; Y445-M461 HydrophobicContact CD1-CE 4.07Å; Y445-M461 HydrophobicContact CE1-CE 3.57Å; Y445-V489 HydrophobicContact CD1-CG2 4.4Å; Y445-V489 HydrophobicContact CD2-CB 4.29Å; Y445-V489 HydrophobicContact CD2-CG1 4.03Å; Y445-V489 HydrophobicContact CD2-CG2 4.46Å; Y445-V489 HydrophobicContact CE2-CG1 4.01Å; Y445-V489 HydrophobicContact CG-CB 4.38Å; Y445-V489 HydrophobicContact CG-CG1 4.28Å; Y445-V489 HydrophobicContact CG-CG2 4.05Å; Y445-N493 VanDerWaalsContact OH-CG 3.23Å; Y445-N493 PolarHBondContact OH-OD1 3.03Å
446	L	97.8	Very high	94.8	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-59.6	-42	178.7	-71.1	168.8	0	0	0	111.8	L442 A444 K449 K450 L453 M461 A484 I550 E553	L442-L446 HydrophobicContact CD1-CD1 4.16Å; L442-L446 HydrophobicContact CD1-CD2 4.16Å; L442-L446 HydrophobicContact CD1-CG 3.85Å; L442-L446 HydrophobicContact CG-CD1 3.86Å; L442-L446 HydrophobicContact CG-CG 4.07Å; L442-L446 WeakPolarHBondContact O-CB 3.31Å; L442-L446 WeakPolarHBondContact O-CG 3.18Å; L442-L446 PolarHBondContact O-N 2.95Å; A444-L446 PolarHBondContact O-N 3.17Å; L446-K449 PolarHBondContact O-N 2.96Å; L446-K450 PolarHBondContact O-N 2.94Å; L446-K450 VanDerWaalsContact O-N 3.14Å; L446-L453 HydrophobicContact CD2-CD1 3.55Å; L446-M461 HydrophobicContact CD2-SD 4.04Å; L446-A484 HydrophobicContact CD1-CB 4.44Å; L446-I550 HydrophobicContact CD1-CG1 4.16Å; L446-I550 HydrophobicContact CD2-CG2 4.47Å; L446-E553 CarbonylContact C-O 3.59Å
447	R	96.8	Very high	94.9	Very high	150 Å²	150	66.1 Å²	66.1	57%	0.566	35%	0.347	S	S	*	.	H	α-helix	trans	-69.1	-38.9	178.1	-72.9	-177	-70.3	167.4	-0.9	112.3	S443 A444 Y445 K450	S443-R447 WeakPolarHBondContact O-CG 3.46Å; S443-R447 PolarHBondContact O-N 3.35Å; S443-R447 PolarHBondContact O-NE 3.17Å; S443-R447 VanDerWaalsContact O-NE 3.14Å; A444-R447 PolarHBondContact O-N 3.34Å; Y445-R447 VanDerWaalsContact C-N 3.31Å; Y445-R447 PolarHBondContact O-N 3.24Å; R447-K450 WeakPolarHBondContact O-CB 3.37Å; R447-K450 PolarHBondContact O-N 2.8Å
448	E	96.8	Very high	95.2	Very high	121 Å²	121	65.6 Å²	65.6	57%	0.565	35%	0.345	S	S	*	.	H	α-helix	trans	-65.9	-38.8	176.6	-168.6	-152.6	124.3	0	0	111.8	A444 Y445 K450	A444-E448 PolarHBondContact O-N 3.26Å; Y445-E448 PolarHBondContact O-N 2.72Å; E448-K450 VanDerWaalsContact C-N 3.33Å
449	K	95.3	Very high	95.5	Very high	60 Å²	60	61.6 Å²	61.6	26%	0.261	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	11	-179.8	-58.6	-52.7	-172.3	-151.2	0	114.1	Y445 L446 G451 R452 L453	Y445-K449 HydrophobicContact CD1-CG 4.26Å; Y445-K449 HydrophobicContact CE1-CG 3.82Å; Y445-K449 HydrophobicContact CE2-CG 4.25Å; Y445-K449 WeakPolarHBondContact O-CG 3.27Å; Y445-K449 PolarHBondContact O-N 2.66Å; L446-K449 PolarHBondContact O-N 2.96Å; K449-G451 PolarHBondContact O-N 3.45Å; K449-R452 WeakPolarHBondContact O-CA 3.39Å; K449-R452 WeakPolarHBondContact O-CB 3.35Å; K449-R452 PolarHBondContact O-N 2.68Å; K449-L453 HydrophobicContact CB-CD1 4.17Å; K449-L453 HydrophobicContact CB-CD2 3.64Å; K449-L453 HydrophobicContact CB-CG 3.76Å; K449-L453 HydrophobicContact CG-CD2 4.25Å
450	K	95.6	Very high	95.7	Very high	142 Å²	142	60.9 Å²	60.9	62%	0.617	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	130.3	-177.9	-171.5	178	-177.7	177.2	0	112	L446 R447 E448 R452 E553	L446-K450 PolarHBondContact O-N 2.94Å; L446-K450 VanDerWaalsContact O-N 3.14Å; R447-K450 WeakPolarHBondContact O-CB 3.37Å; R447-K450 PolarHBondContact O-N 2.8Å; E448-K450 VanDerWaalsContact C-N 3.33Å; K450-R452 VanDerWaalsContact C-N 3.29Å; K450-R452 PolarHBondContact O-N 2.99Å; K450-E553 HydrophobicContact CB-CB 4.48Å; K450-E553 HydrophobicContact CG-CB 4.08Å; K450-E553 WeakPolarHBondContact CG-OE2 3.45Å
451	G	95.1	Very high	96	Very high	68 Å²	68	59.4 Å²	59.4	70%	0.701	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-0.1	-176.4	0	0	0	0	0	115.1	K449 E553	K449-G451 PolarHBondContact O-N 3.45Å; G451-E553 PolarHBondContact N-OE1 3.19Å
452	R	95.1	Very high	96.2	Very high	199 Å²	199	57.6 Å²	57.6	75%	0.751	30%	0.298	S	S	*	.			trans	-118.8	-5.6	-176.7	-54.7	179.7	-175	156.5	1.5	114	K449 K450	K449-R452 WeakPolarHBondContact O-CA 3.39Å; K449-R452 WeakPolarHBondContact O-CB 3.35Å; K449-R452 PolarHBondContact O-N 2.68Å; K450-R452 VanDerWaalsContact C-N 3.29Å; K450-R452 PolarHBondContact O-N 2.99Å
453	L	94.1	Very high	96.2	Very high	21 Å²	21	59 Å²	59	11%	0.11	31%	0.305	C	S	.	.			trans	-85.3	128.1	-178.3	-64.1	171.3	0	0	0	110.3	Y445 L446 K449 L457 M458 M461	Y445-L453 HydrophobicContact CE1-CD2 4.04Å; L446-L453 HydrophobicContact CD2-CD1 3.55Å; K449-L453 HydrophobicContact CB-CD1 4.17Å; K449-L453 HydrophobicContact CB-CD2 3.64Å; K449-L453 HydrophobicContact CB-CG 3.76Å; K449-L453 HydrophobicContact CG-CD2 4.25Å; L453-L457 HydrophobicContact CD2-CD2 3.68Å; L453-M458 HydrophobicContact CB-CE 3.4Å; L453-M458 VanDerWaalsContact CB-CE 3.4Å; L453-M458 HydrophobicContact CB-CG 4.36Å; L453-M458 HydrophobicContact CD1-CE 4.03Å; L453-M458 HydrophobicContact CG-CE 4.37Å; L453-M461 HydrophobicContact CD2-CE 4.36Å
454	S	95.1	Very high	96.3	Very high	61 Å²	61	59.3 Å²	59.3	43%	0.427	31%	0.305	S	S	.	.			trans	-77.7	156.5	172.2	65.2	0	0	0	0	111.2	D456 L457 M458	S454-D456 VanDerWaalsContact C-N 3.28Å; S454-D456 PolarHBondContact O-N 3.02Å; S454-L457 PolarHBondContact O-N 3.18Å; S454-L457 WeakPolarHBondContact OG-CB 3.45Å; S454-L457 PolarHBondContact OG-N 2.88Å; S454-M458 WeakPolarHBondContact O-CG 3.47Å; S454-M458 PolarHBondContact O-N 3.3Å
455	Q	94.2	Very high	96.5	Very high	99 Å²	99	57.3 Å²	57.3	46%	0.463	29%	0.289	S	S	.	.	H	α-helix	trans	-61	-38	174.9	-72.7	-178.8	-29.1	0	0	111.9	L457 M458 L459 L581	Q455-L457 VanDerWaalsContact C-N 3.34Å; Q455-L457 PolarHBondContact O-N 3.34Å; Q455-M458 WeakPolarHBondContact O-CB 3.48Å; Q455-M458 PolarHBondContact O-N 2.81Å; Q455-L459 WeakPolarHBondContact O-CB 2.96Å; Q455-L459 PolarHBondContact O-N 3.41Å; Q455-L581 PolarHBondContact NE2-O 3.35Å
456	D	94.3	Very high	96.4	Very high	132 Å²	132	56.8 Å²	56.8	71%	0.706	29%	0.287	S	S	*	.	H	α-helix	trans	-62.1	-41.6	177.1	-55.3	-24.1	0	0	0	111.9	S454 L459 G460	S454-D456 VanDerWaalsContact C-N 3.28Å; S454-D456 PolarHBondContact O-N 3.02Å; D456-L459 PolarHBondContact O-N 3.44Å; D456-G460 PolarHBondContact O-N 2.95Å
457	L	95.6	Very high	96.3	Very high	46 Å²	46	60 Å²	60	24%	0.241	30%	0.302	C	S	.	.	H	α-helix	trans	-66.4	-42.1	176.5	179.6	60.5	0	0	0	110.9	L453 S454 Q455 L459 G460 M461 N493	L453-L457 HydrophobicContact CD2-CD2 3.68Å; S454-L457 PolarHBondContact O-N 3.18Å; S454-L457 WeakPolarHBondContact OG-CB 3.45Å; S454-L457 PolarHBondContact OG-N 2.88Å; Q455-L457 VanDerWaalsContact C-N 3.34Å; Q455-L457 PolarHBondContact O-N 3.34Å; L457-L459 VanDerWaalsContact C-N 3.35Å; L457-L459 PolarHBondContact O-N 3.01Å; L457-G460 PolarHBondContact O-N 3.5Å; L457-M461 HydrophobicContact CD1-CE 4.07Å; L457-M461 HydrophobicContact CD2-CE 4.08Å; L457-M461 HydrophobicContact CG-CE 3.78Å; L457-M461 VanDerWaalsContact O-CG 3.29Å; L457-M461 WeakPolarHBondContact O-CG 3.3Å; L457-M461 PolarHBondContact O-N 2.83Å; L457-N493 HydrophobicContact CD1-CB 3.88Å
458	M	98	Very high	96.2	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-61.2	-41.8	174.7	-69.9	-177.6	-174.8	0	0	112.2	L453 S454 Q455 M461 C462 I550 Y551 E553 L581	L453-M458 HydrophobicContact CB-CE 3.4Å; L453-M458 VanDerWaalsContact CB-CE 3.4Å; L453-M458 HydrophobicContact CB-CG 4.36Å; L453-M458 HydrophobicContact CD1-CE 4.03Å; L453-M458 HydrophobicContact CG-CE 4.37Å; S454-M458 WeakPolarHBondContact O-CG 3.47Å; S454-M458 PolarHBondContact O-N 3.3Å; Q455-M458 WeakPolarHBondContact O-CB 3.48Å; Q455-M458 PolarHBondContact O-N 2.81Å; M458-M461 PolarHBondContact O-N 3.06Å; M458-C462 PolarHBondContact O-N 2.84Å; M458-C462 VanDerWaalsContact O-N 3.12Å; M458-C462 PolarHBondContact O-SG 2.8Å; M458-C462 VanDerWaalsContact O-SG 3.38Å; M458-I550 HydrophobicContact CB-CG2 3.68Å; M458-I550 HydrophobicContact CG-CG2 3.88Å; M458-Y551 HydrophobicContact CB-CD1 4.38Å; M458-Y551 HydrophobicContact CB-CE1 3.99Å; M458-Y551 HydrophobicContact CB-CE2 4.35Å; M458-Y551 HydrophobicContact SD-CD1 3.74Å; M458-Y551 HydrophobicContact SD-CE1 4.12Å; M458-Y551 HydrophobicContact SD-CG 4.3Å; M458-E553 HydrophobicContact CE-CG 3.89Å; M458-L581 HydrophobicContact CE-CD1 3.62Å; M458-L581 HydrophobicContact SD-CB 4.37Å; M458-L581 HydrophobicContact SD-CD1 4.34Å
459	L	97.4	Very high	96.2	Very high	15 Å²	15	47.1 Å²	47.1	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-64.4	-42.5	174.9	-177.9	62.1	0	0	0	111.3	Q455 D456 L457 M461 C462 L463 L611 L614	Q455-L459 WeakPolarHBondContact O-CB 2.96Å; Q455-L459 PolarHBondContact O-N 3.41Å; D456-L459 PolarHBondContact O-N 3.44Å; L457-L459 VanDerWaalsContact C-N 3.35Å; L457-L459 PolarHBondContact O-N 3.01Å; L459-M461 VanDerWaalsContact C-N 3.32Å; L459-M461 PolarHBondContact O-N 3.48Å; L459-C462 WeakPolarHBondContact O-CB 3.34Å; L459-C462 PolarHBondContact O-N 2.79Å; L459-C462 VanDerWaalsContact O-N 3.14Å; L459-L463 HydrophobicContact CG-CD1 4.33Å; L459-L463 PolarHBondContact O-N 3.16Å; L459-L611 HydrophobicContact CD1-CD2 3.84Å; L459-L614 HydrophobicContact CD2-CB 4.11Å
460	G	97.3	Very high	96.1	Very high	24 Å²	24	45 Å²	45	25%	0.247	24%	0.242	C	C	.	.	H	α-helix	trans	-57.6	-41.8	173.5	0	0	0	0	0	112.9	D456 L457 C462 L463 D464	D456-G460 PolarHBondContact O-N 2.95Å; L457-G460 PolarHBondContact O-N 3.5Å; G460-C462 PolarHBondContact O-N 2.87Å; G460-L463 WeakPolarHBondContact O-CB 3.28Å; G460-L463 PolarHBondContact O-N 2.96Å; G460-D464 WeakPolarHBondContact O-CB 3.28Å; G460-D464 PolarHBondContact O-N 3.49Å
461	M	98.3	Very high	95.9	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-62.7	-40.7	174.1	-66.8	171.4	175.8	0	0	112.2	L442 Y445 L446 L453 L457 M458 L459 V465 V495 I550	L442-M461 HydrophobicContact CD1-CE 4.37Å; L442-M461 HydrophobicContact CD1-SD 3.82Å; Y445-M461 HydrophobicContact CD1-CE 4.07Å; Y445-M461 HydrophobicContact CE1-CE 3.57Å; L446-M461 HydrophobicContact CD2-SD 4.04Å; L453-M461 HydrophobicContact CD2-CE 4.36Å; L457-M461 HydrophobicContact CD1-CE 4.07Å; L457-M461 HydrophobicContact CD2-CE 4.08Å; L457-M461 HydrophobicContact CG-CE 3.78Å; L457-M461 VanDerWaalsContact O-CG 3.29Å; L457-M461 WeakPolarHBondContact O-CG 3.3Å; L457-M461 PolarHBondContact O-N 2.83Å; M458-M461 PolarHBondContact O-N 3.06Å; L459-M461 VanDerWaalsContact C-N 3.32Å; L459-M461 PolarHBondContact O-N 3.48Å; M461-V465 WeakPolarHBondContact O-CG2 3.17Å; M461-V465 PolarHBondContact O-N 3.39Å; M461-V495 HydrophobicContact CB-CG2 3.74Å; M461-V495 HydrophobicContact CG-CG2 3.57Å; M461-I550 HydrophobicContact CB-CD1 3.98Å
462	C	98.4	Very high	95.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.1	-42.8	174.5	-65.8	0	0	0	0	111.8	M458 L459 G460 V465 S466 M547 L611	M458-C462 PolarHBondContact O-N 2.84Å; M458-C462 VanDerWaalsContact O-N 3.12Å; M458-C462 PolarHBondContact O-SG 2.8Å; M458-C462 VanDerWaalsContact O-SG 3.38Å; L459-C462 WeakPolarHBondContact O-CB 3.34Å; L459-C462 PolarHBondContact O-N 2.79Å; L459-C462 VanDerWaalsContact O-N 3.14Å; G460-C462 PolarHBondContact O-N 2.87Å; C462-V465 PolarHBondContact O-N 2.99Å; C462-S466 WeakPolarHBondContact O-CB 3.17Å; C462-S466 PolarHBondContact O-N 3.4Å; C462-S466 PolarHBondContact O-OG 3.2Å; C462-M547 HydrophobicContact CB-CG 4.45Å; C462-L611 HydrophobicContact CB-CD1 4.25Å; C462-L611 HydrophobicContact CB-CD2 4.38Å
463	L	97.6	Very high	95.4	Very high	30 Å²	30	30.2 Å²	30.2	16%	0.157	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-51.7	177.5	-81.2	167.3	0	0	0	111.2	L459 G460 V465 S466 E467 L608 L611 A612	L459-L463 HydrophobicContact CG-CD1 4.33Å; L459-L463 PolarHBondContact O-N 3.16Å; G460-L463 WeakPolarHBondContact O-CB 3.28Å; G460-L463 PolarHBondContact O-N 2.96Å; L463-V465 VanDerWaalsContact C-N 3.35Å; L463-V465 PolarHBondContact O-N 3.08Å; L463-S466 WeakPolarHBondContact CA-OG 3.21Å; L463-S466 PolarHBondContact O-N 2.96Å; L463-S466 VanDerWaalsContact O-N 3.12Å; L463-S466 PolarHBondContact O-OG 3.35Å; L463-E467 PolarHBondContact O-N 3.31Å; L463-L608 HydrophobicContact CD2-CD1 4.01Å; L463-L611 HydrophobicContact CD2-CB 3.63Å; L463-L611 HydrophobicContact CG-CB 4.2Å; L463-A612 HydrophobicContact CD2-CB 4.05Å
464	D	97.4	Very high	95	Very high	22 Å²	22	33.3 Å²	33.3	12%	0.118	19%	0.186	C	C	.	.	H	α-helix	trans	-53.2	-49.8	177.9	-81.3	-5.2	0	0	0	112.1	K416 G460 E467 G468 E494 V495	K416-D464 VanDerWaalsContact CB-O 3.25Å; K416-D464 WeakPolarHBondContact CB-O 3.48Å; K416-D464 HydrophobicContact CD-CB 4.02Å; K416-D464 WeakPolarHBondContact CE-OD1 3.41Å; K416-D464 WeakPolarHBondContact CG-O 3.45Å; K416-D464 VanDerWaalsContact NZ-CG 3.29Å; K416-D464 IonicContact NZ-OD1 3.51Å; K416-D464 PolarHBondContact NZ-OD1 2.81Å; K416-D464 IonicContact NZ-OD2 2.89Å; G460-D464 WeakPolarHBondContact O-CB 3.28Å; G460-D464 PolarHBondContact O-N 3.49Å; D464-E467 PolarHBondContact O-N 3.48Å; D464-G468 PolarHBondContact O-N 3.33Å; D464-E494 VanDerWaalsContact OD2-CA 3.27Å; D464-E494 WeakPolarHBondContact OD2-CA 3.36Å; D464-V495 HydrophobicContact CB-CB 3.94Å; D464-V495 WeakPolarHBondContact CB-O 3.22Å; D464-V495 PolarHBondContact OD2-N 3.42Å
465	V	98.3	Very high	94.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.9	-43.2	178.2	173.9	0	0	0	0	111.1	M461 C462 L463 E467 G468 M469 L482 V495 V497 F543 L546	M461-V465 WeakPolarHBondContact O-CG2 3.17Å; M461-V465 PolarHBondContact O-N 3.39Å; C462-V465 PolarHBondContact O-N 2.99Å; L463-V465 VanDerWaalsContact C-N 3.35Å; L463-V465 PolarHBondContact O-N 3.08Å; V465-E467 VanDerWaalsContact C-N 3.32Å; V465-E467 PolarHBondContact O-N 2.65Å; V465-G468 PolarHBondContact O-N 3.25Å; V465-M469 HydrophobicContact CG1-CG 4.28Å; V465-M469 WeakPolarHBondContact O-CB 3.32Å; V465-M469 WeakPolarHBondContact O-CG 3.15Å; V465-M469 PolarHBondContact O-N 3.39Å; V465-L482 HydrophobicContact CG1-CD1 4.2Å; V465-V495 HydrophobicContact CG2-CB 4.16Å; V465-V495 HydrophobicContact CG2-CG1 3.47Å; V465-V495 VanDerWaalsContact CG2-CG1 3.47Å; V465-V497 HydrophobicContact CB-CG2 4.4Å; V465-V497 HydrophobicContact CG1-CG2 3.96Å; V465-V497 HydrophobicContact CG2-CG2 4.49Å; V465-F543 HydrophobicContact CB-CE2 4.03Å; V465-F543 HydrophobicContact CG1-CD2 3.78Å; V465-F543 HydrophobicContact CG1-CE2 3.71Å; V465-L546 HydrophobicContact CB-CD2 4.48Å; V465-L546 HydrophobicContact CG1-CD1 3.97Å; V465-L546 HydrophobicContact CG1-CD2 4.17Å; V465-L546 HydrophobicContact CG2-CD2 4.34Å
466	S	97.1	Very high	93.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.1	-35.4	-179.9	70.3	0	0	0	0	112.8	C462 L463 M469 A470 L608	C462-S466 WeakPolarHBondContact O-CB 3.17Å; C462-S466 PolarHBondContact O-N 3.4Å; C462-S466 PolarHBondContact O-OG 3.2Å; L463-S466 WeakPolarHBondContact CA-OG 3.21Å; L463-S466 PolarHBondContact O-N 2.96Å; L463-S466 VanDerWaalsContact O-N 3.12Å; L463-S466 PolarHBondContact O-OG 3.35Å; S466-M469 PolarHBondContact O-N 3.45Å; S466-A470 VanDerWaalsContact O-CB 3.31Å; S466-A470 WeakPolarHBondContact O-CB 3.4Å; S466-A470 PolarHBondContact O-N 2.88Å; S466-L608 VanDerWaalsContact OG-CD1 3.28Å; S466-L608 WeakPolarHBondContact OG-CD1 3.15Å
467	E	95.4	Very high	93.3	Very high	68 Å²	68	25.2 Å²	25.2	32%	0.318	14%	0.143	S	C	.	.	H	α-helix	trans	-66.6	-44.8	176.1	-166.8	-171	176.8	0	0	111	K416 L463 D464 V465 M469 A470 Y471 L608	K416-E467 WeakPolarHBondContact CE-OE2 3.4Å; K416-E467 HydrophobicContact CG-CB 4.1Å; K416-E467 HydrophobicContact CG-CG 4.33Å; K416-E467 WeakPolarHBondContact CG-OE2 3.22Å; L463-E467 PolarHBondContact O-N 3.31Å; D464-E467 PolarHBondContact O-N 3.48Å; V465-E467 VanDerWaalsContact C-N 3.32Å; V465-E467 PolarHBondContact O-N 2.65Å; E467-M469 PolarHBondContact O-N 3.25Å; E467-A470 PolarHBondContact O-N 2.64Å; E467-Y471 PolarHBondContact O-N 3.21Å; E467-Y471 VanDerWaalsContact O-N 3.16Å; E467-L608 HydrophobicContact CB-CD1 4.1Å; E467-L608 HydrophobicContact CB-CD2 4.38Å; E467-L608 HydrophobicContact CG-CD2 4.34Å
468	G	94.3	Very high	93	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.5	-42.2	174.1	0	0	0	0	0	112.9	D464 V465 Y471 L472	D464-G468 PolarHBondContact O-N 3.33Å; V465-G468 PolarHBondContact O-N 3.25Å; G468-Y471 WeakPolarHBondContact O-CB 3.37Å; G468-Y471 PolarHBondContact O-N 2.84Å; G468-L472 PolarHBondContact O-N 3.49Å; G468-L472 VanDerWaalsContact O-N 3.17Å
469	M	97	Very high	92.7	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-71.7	-33.7	178.4	-71.2	-55.3	-59.8	0	0	113.3	V465 S466 E467 Y471 L472 E473 H479 L482 V497 D539 F604	V465-M469 HydrophobicContact CG1-CG 4.28Å; V465-M469 WeakPolarHBondContact O-CB 3.32Å; V465-M469 WeakPolarHBondContact O-CG 3.15Å; V465-M469 PolarHBondContact O-N 3.39Å; S466-M469 PolarHBondContact O-N 3.45Å; E467-M469 PolarHBondContact O-N 3.25Å; M469-Y471 VanDerWaalsContact C-N 3.3Å; M469-Y471 PolarHBondContact O-N 3.23Å; M469-L472 HydrophobicContact CE-CD1 4.32Å; M469-L472 PolarHBondContact O-N 2.94Å; M469-L472 HydrophobicContact SD-CD1 3.81Å; M469-E473 WeakPolarHBondContact O-CB 3.38Å; M469-E473 PolarHBondContact O-N 2.88Å; M469-H479 HydrophobicContact CE-CB 3.69Å; M469-H479 HydrophobicContact SD-CB 4.15Å; M469-L482 HydrophobicContact CE-CD2 4.07Å; M469-L482 HydrophobicContact CG-CD1 4.33Å; M469-L482 HydrophobicContact CG-CD2 3.88Å; M469-L482 HydrophobicContact SD-CD1 3.95Å; M469-L482 HydrophobicContact SD-CD2 3.97Å; M469-L482 HydrophobicContact SD-CG 4.48Å; M469-V497 HydrophobicContact CG-CG2 4.38Å; M469-V497 HydrophobicContact SD-CG1 4.14Å; M469-V497 HydrophobicContact SD-CG2 4.45Å; M469-D539 HydrophobicContact CE-CB 3.8Å; M469-F604 HydrophobicContact CB-CD1 3.38Å; M469-F604 HydrophobicContact CB-CD2 3.92Å; M469-F604 HydrophobicContact CB-CE1 3.32Å; M469-F604 HydrophobicContact CB-CE2 3.87Å; M469-F604 HydrophobicContact CB-CG 3.68Å; M469-F604 HydrophobicContact CB-CZ 3.58Å; M469-F604 HydrophobicContact CE-CE2 3.66Å; M469-F604 HydrophobicContact CE-CZ 3.65Å; M469-F604 HydrophobicContact CG-CD1 4.33Å; M469-F604 HydrophobicContact CG-CE1 3.78Å; M469-F604 HydrophobicContact CG-CE2 4.47Å; M469-F604 HydrophobicContact CG-CZ 3.86Å
470	A	93.4	Very high	92.4	Very high	16 Å²	16	23.1 Å²	23.1	13%	0.132	13%	0.131	C	C	.	.	H	α-helix	trans	-62.8	-38.6	172.5	0	0	0	0	0	111.5	S466 E467 E473 S474 F604 L608	S466-A470 VanDerWaalsContact O-CB 3.31Å; S466-A470 WeakPolarHBondContact O-CB 3.4Å; S466-A470 PolarHBondContact O-N 2.88Å; E467-A470 PolarHBondContact O-N 2.64Å; A470-E473 PolarHBondContact O-N 2.75Å; A470-S474 WeakPolarHBondContact O-CB 3.46Å; A470-S474 PolarHBondContact O-N 3.42Å; A470-S474 PolarHBondContact O-OG 2.81Å; A470-F604 HydrophobicContact CB-CB 3.89Å; A470-L608 HydrophobicContact CB-CD2 4.45Å
471	Y	90.9	Very high	92.1	Very high	55 Å²	55	22.9 Å²	22.9	22%	0.216	12%	0.124	C	C	.	.	H	α-helix	trans	-62.6	-45.9	172.7	170.1	-96.8	0	0	0	111.9	L412 S413 H414 L417 E467 G468 M469 S474 S475	L412-Y471 HydrophobicContact CB-CE1 4.36Å; L412-Y471 HydrophobicContact CD2-CE1 3.89Å; S413-Y471 PolarHBondContact N-OH 3.14Å; S413-Y471 VanDerWaalsContact N-OH 3.13Å; S413-Y471 PolarHBondContact O-OH 3.12Å; H414-Y471 HydrophobicContact CB-CD1 3.63Å; H414-Y471 HydrophobicContact CB-CD2 4.21Å; H414-Y471 HydrophobicContact CB-CE1 3.87Å; H414-Y471 HydrophobicContact CB-CE2 4.44Å; H414-Y471 HydrophobicContact CB-CG 3.79Å; H414-Y471 AromaticContact CD2-CD2 3.92Å; H414-Y471 AromaticContact CD2-CG 3.79Å; H414-Y471 AromaticContact CG-CG 3.81Å; L417-Y471 HydrophobicContact CD1-CD1 3.51Å; L417-Y471 HydrophobicContact CD1-CE1 3.67Å; L417-Y471 HydrophobicContact CG-CD1 4.35Å; E467-Y471 PolarHBondContact O-N 3.21Å; E467-Y471 VanDerWaalsContact O-N 3.16Å; G468-Y471 WeakPolarHBondContact O-CB 3.37Å; G468-Y471 PolarHBondContact O-N 2.84Å; M469-Y471 VanDerWaalsContact C-N 3.3Å; M469-Y471 PolarHBondContact O-N 3.23Å; Y471-S474 PolarHBondContact O-N 3.44Å; Y471-S474 PolarHBondContact O-OG 2.81Å; Y471-S475 WeakPolarHBondContact O-CB 3.41Å; Y471-S475 PolarHBondContact O-N 3.05Å; Y471-S475 PolarHBondContact O-OG 3.27Å
472	L	89.4	Confident	92	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.3	-46.8	176.2	-68.6	-178.5	0	0	0	111.8	L412 L417 G468 M469 S474 S475 N476 F477 H479 F500	L412-L472 HydrophobicContact CD1-CD2 3.79Å; L412-L472 HydrophobicContact CD2-CD2 3.9Å; L412-L472 HydrophobicContact CG-CD2 4.43Å; L417-L472 HydrophobicContact CD1-CD2 3.65Å; L417-L472 HydrophobicContact CD1-CG 4.11Å; L417-L472 HydrophobicContact CD2-CD1 4.28Å; L417-L472 HydrophobicContact CD2-CG 4.25Å; G468-L472 PolarHBondContact O-N 3.49Å; G468-L472 VanDerWaalsContact O-N 3.17Å; M469-L472 HydrophobicContact CE-CD1 4.32Å; M469-L472 PolarHBondContact O-N 2.94Å; M469-L472 HydrophobicContact SD-CD1 3.81Å; L472-S474 PolarHBondContact O-N 3.31Å; L472-S475 CarbonylContact O-C 3.56Å; L472-S475 PolarHBondContact O-N 3.38Å; L472-S475 VanDerWaalsContact O-N 3.09Å; L472-N476 PolarHBondContact O-N 2.77Å; L472-N476 VanDerWaalsContact O-N 3.17Å; L472-F477 CarbonylContact C-O 3.56Å; L472-F477 HydrophobicContact CB-CB 4.15Å; L472-F477 HydrophobicContact CD2-CB 4.02Å; L472-F477 PolarHBondContact O-N 3.27Å; L472-H479 HydrophobicContact CD1-CB 4.34Å; L472-F500 HydrophobicContact CD1-CE1 4.19Å; L472-F500 HydrophobicContact CD2-CE1 4.41Å
473	E	89.1	Confident	91.9	Very high	42 Å²	42	22.9 Å²	22.9	20%	0.196	12%	0.124	C	C	.	.	H	α-helix	trans	-55.9	-50.3	176.6	-176.8	-177.2	-116.9	0	0	110.8	M469 A470 S475 N476 S603 F604	M469-E473 WeakPolarHBondContact O-CB 3.38Å; M469-E473 PolarHBondContact O-N 2.88Å; A470-E473 PolarHBondContact O-N 2.75Å; E473-S475 PolarHBondContact O-N 2.79Å; E473-N476 PolarHBondContact O-N 2.9Å; E473-S603 WeakPolarHBondContact OE1-CA 3.49Å; E473-S603 WeakPolarHBondContact OE1-CB 3.31Å; E473-F604 HydrophobicContact CB-CD2 4.24Å; E473-F604 PolarHBondContact OE1-N 3.37Å; E473-F604 VanDerWaalsContact OE1-N 3.15Å; E473-F604 PolarHBondContact OE2-N 2.93Å
474	S	86.2	Confident	91.9	Very high	86 Å²	86	21.4 Å²	21.4	60%	0.601	12%	0.117	S	C	*	.	H	α-helix	trans	-66	-22.9	178.8	72.6	0	0	0	0	114.2	A470 Y471 L472 N476	A470-S474 WeakPolarHBondContact O-CB 3.46Å; A470-S474 PolarHBondContact O-N 3.42Å; A470-S474 PolarHBondContact O-OG 2.81Å; Y471-S474 PolarHBondContact O-N 3.44Å; Y471-S474 PolarHBondContact O-OG 2.81Å; L472-S474 PolarHBondContact O-N 3.31Å; S474-N476 VanDerWaalsContact C-N 3.31Å
475	S	81.9	Confident	91.7	Very high	31 Å²	31	24 Å²	24	22%	0.217	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	4.5	177.2	-57.5	0	0	0	0	112.5	Y471 L472 E473 F477	Y471-S475 WeakPolarHBondContact O-CB 3.41Å; Y471-S475 PolarHBondContact O-N 3.05Å; Y471-S475 PolarHBondContact O-OG 3.27Å; L472-S475 CarbonylContact O-C 3.56Å; L472-S475 PolarHBondContact O-N 3.38Å; L472-S475 VanDerWaalsContact O-N 3.09Å; E473-S475 PolarHBondContact O-N 2.79Å; S475-F477 WeakPolarHBondContact O-CD2 3.31Å
476	N	80.8	Confident	91.5	Very high	75 Å²	75	24.7 Å²	24.7	40%	0.401	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	39.3	-177	-52.3	-75.4	0	0	0	113.7	L472 E473 S474 F505 V506	L472-N476 PolarHBondContact O-N 2.77Å; L472-N476 VanDerWaalsContact O-N 3.17Å; E473-N476 PolarHBondContact O-N 2.9Å; S474-N476 VanDerWaalsContact C-N 3.31Å; N476-F505 HydrophobicContact CB-CD2 4.28Å; N476-F505 HydrophobicContact CB-CE2 3.9Å; N476-F505 WeakPolarHBondContact O-CA 2.82Å; N476-V506 VanDerWaalsContact CB-O 3.31Å; N476-V506 WeakPolarHBondContact CB-O 3.29Å; N476-V506 PolarHBondContact O-N 3.41Å
477	F	86.3	Confident	91.5	Very high	17 Å²	17	24.7 Å²	24.7	8%	0.075	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.1	174.5	-80.2	-96.8	0	0	0	111.4	V408 L412 L472 S475 T503 R504 F505	V408-F477 HydrophobicContact CG1-CE1 3.46Å; V408-F477 VanDerWaalsContact CG1-CE1 3.46Å; V408-F477 HydrophobicContact CG1-CZ 3.43Å; V408-F477 VanDerWaalsContact CG1-CZ 3.43Å; L412-F477 HydrophobicContact CD1-CD1 4.15Å; L412-F477 HydrophobicContact CD1-CE1 4.06Å; L412-F477 HydrophobicContact CD1-CG 4.48Å; L412-F477 HydrophobicContact CD1-CZ 4.39Å; L412-F477 HydrophobicContact CD2-CD1 4.41Å; L412-F477 HydrophobicContact CD2-CD2 3.67Å; L412-F477 HydrophobicContact CD2-CE1 4.28Å; L412-F477 HydrophobicContact CD2-CE2 3.57Å; L412-F477 HydrophobicContact CD2-CG 4.09Å; L412-F477 HydrophobicContact CD2-CZ 3.87Å; L412-F477 HydrophobicContact CG-CE1 4.35Å; L412-F477 HydrophobicContact CG-CE2 4.37Å; L412-F477 HydrophobicContact CG-CZ 4.17Å; L472-F477 CarbonylContact C-O 3.56Å; L472-F477 HydrophobicContact CB-CB 4.15Å; L472-F477 HydrophobicContact CD2-CB 4.02Å; L472-F477 PolarHBondContact O-N 3.27Å; S475-F477 WeakPolarHBondContact O-CD2 3.31Å; F477-T503 HydrophobicContact CB-CG2 3.98Å; F477-T503 HydrophobicContact CD1-CG2 3.64Å; F477-T503 HydrophobicContact CG-CG2 4.28Å; F477-R504 WeakPolarHBondContact CA-O 3.46Å; F477-F505 HydrophobicContact CD1-CB 4.22Å; F477-F505 HydrophobicContact CD2-CD2 4.08Å; F477-F505 HydrophobicContact CE1-CB 3.87Å; F477-F505 HydrophobicContact CE2-CB 4.32Å; F477-F505 AromaticContact CE2-CD2 3.74Å; F477-F505 HydrophobicContact CE2-CD2 3.74Å; F477-F505 HydrophobicContact CE2-CG 4.47Å; F477-F505 HydrophobicContact CZ-CB 3.92Å; F477-F505 HydrophobicContact CZ-CD2 4.14Å; F477-F505 HydrophobicContact CZ-CG 4.44Å
478	I	89.1	Confident	91.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.3	171.7	-49.4	170.1	0	0	0	108	R480 T503 R504 V506 F534 D539	I478-R480 HydrophobicContact CB-CG 4.15Å; I478-R480 HydrophobicContact CG2-CG 3.61Å; I478-T503 CarbonylContact O-C 3.55Å; I478-T503 WeakPolarHBondContact O-CA 3.38Å; I478-T503 VanDerWaalsContact O-CG2 3.24Å; I478-T503 WeakPolarHBondContact O-CG2 3.13Å; I478-R504 PolarHBondContact N-O 3.35Å; I478-R504 PolarHBondContact O-N 3.36Å; I478-V506 HydrophobicContact CD1-CB 4.07Å; I478-V506 HydrophobicContact CD1-CG1 4.23Å; I478-V506 HydrophobicContact CD1-CG2 3.71Å; I478-V506 HydrophobicContact CG1-CB 4.47Å; I478-V506 HydrophobicContact CG1-CG2 4.24Å; I478-F534 HydrophobicContact CG2-CB 4.3Å; I478-D539 VanDerWaalsContact CG2-OD2 3.31Å; I478-D539 WeakPolarHBondContact CG2-OD2 3.12Å
479	H	91.7	Very high	91.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.122	C	C	.	.			trans	-71.4	-44.3	-177.6	-171.8	-74.7	0	0	0	112.6	M469 L472 D481 L482 V497 S498 D539	M469-H479 HydrophobicContact CE-CB 3.69Å; M469-H479 HydrophobicContact SD-CB 4.15Å; L472-H479 HydrophobicContact CD1-CB 4.34Å; H479-D481 VanDerWaalsContact CE1-C 3.48Å; H479-D481 PolarHBondContact CE1-O 3.49Å; H479-D481 VanDerWaalsContact CE1-O 3.29Å; H479-D481 PolarHBondContact ND1-N 3.12Å; H479-D481 PolarHBondContact O-N 3.48Å; H479-L482 PolarHBondContact ND1-N 3.14Å; H479-L482 VanDerWaalsContact ND1-N 3.11Å; H479-V497 VanDerWaalsContact CD2-CG1 3.49Å; H479-V497 WeakPolarHBondContact CD2-CG1 3.36Å; H479-V497 VanDerWaalsContact NE2-CG1 3.33Å; H479-V497 WeakPolarHBondContact NE2-CG1 3.45Å; H479-S498 PolarHBondContact NE2-O 3.28Å; H479-D539 WeakPolarHBondContact CB-OD2 3.36Å; H479-D539 PolarHBondContact N-OD2 2.91Å
480	R	90.3	Very high	91.3	Very high	17 Å²	17	23.8 Å²	23.8	6%	0.064	13%	0.126	C	C	.	.	S	Bend	trans	71.1	-18	174.4	-57.3	175.1	49.3	-142	5.1	117.1	I478 M502 F534 D539	I478-R480 HydrophobicContact CB-CG 4.15Å; I478-R480 HydrophobicContact CG2-CG 3.61Å; R480-M502 HydrophobicContact CB-CB 4.39Å; R480-M502 VanDerWaalsContact CD-O 3.29Å; R480-M502 WeakPolarHBondContact CD-O 3.35Å; R480-M502 PolarHBondContact NH1-O 3.11Å; R480-F534 HydrophobicContact CB-CD1 3.82Å; R480-F534 HydrophobicContact CB-CE1 4.04Å; R480-F534 HydrophobicContact CG-CB 4.09Å; R480-F534 HydrophobicContact CG-CD1 3.69Å; R480-F534 HydrophobicContact CG-CE1 4.35Å; R480-F534 HydrophobicContact CG-CG 4.01Å; R480-D539 PolarHBondContact N-OD1 2.81Å
481	D	91.2	Very high	91.2	Very high	18 Å²	18	29.6 Å²	29.6	10%	0.096	15%	0.148	C	C	.	.			trans	-135.9	44.7	175.9	-167.9	15.1	0	0	0	112.3	H479 A483 R485 N486 P520	H479-D481 VanDerWaalsContact CE1-C 3.48Å; H479-D481 PolarHBondContact CE1-O 3.49Å; H479-D481 VanDerWaalsContact CE1-O 3.29Å; H479-D481 PolarHBondContact ND1-N 3.12Å; H479-D481 PolarHBondContact O-N 3.48Å; D481-A483 PolarHBondContact O-N 2.84Å; D481-R485 IonicContact OD1-CZ 3.45Å; D481-R485 IonicContact OD1-NH2 3.19Å; D481-R485 PolarHBondContact OD1-NH2 3.27Å; D481-N486 PolarHBondContact O-ND2 2.6Å; D481-N486 PolarHBondContact OD1-ND2 3.2Å; D481-N486 PolarHBondContact OD2-ND2 3.3Å; D481-P520 VanDerWaalsContact OD1-CG 3.28Å; D481-P520 WeakPolarHBondContact OD1-CG 3.48Å
482	L	96.3	Very high	91	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.167	C	C	.	.			trans	-72.8	121.3	179.9	-178.3	66	0	0	0	110.4	V465 M469 H479 V497 A542 F543 L546 F604	V465-L482 HydrophobicContact CG1-CD1 4.2Å; M469-L482 HydrophobicContact CE-CD2 4.07Å; M469-L482 HydrophobicContact CG-CD1 4.33Å; M469-L482 HydrophobicContact CG-CD2 3.88Å; M469-L482 HydrophobicContact SD-CD1 3.95Å; M469-L482 HydrophobicContact SD-CD2 3.97Å; M469-L482 HydrophobicContact SD-CG 4.48Å; H479-L482 PolarHBondContact ND1-N 3.14Å; H479-L482 VanDerWaalsContact ND1-N 3.11Å; L482-V497 HydrophobicContact CD1-CG1 4.04Å; L482-A542 HydrophobicContact CB-CB 4.03Å; L482-F543 HydrophobicContact CD2-CB 3.73Å; L482-F543 HydrophobicContact CD2-CD2 4.22Å; L482-F543 HydrophobicContact CD2-CG 4.48Å; L482-L546 HydrophobicContact CD1-CD1 3.83Å; L482-L546 HydrophobicContact CG-CD1 3.9Å; L482-F604 HydrophobicContact CD2-CZ 4.31Å
483	A	96.3	Very high	91.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-162.3	163	178.2	0	0	0	0	0	110.2	D481 R485 N486 C487 W523	D481-A483 PolarHBondContact O-N 2.84Å; A483-R485 HydrophobicContact CB-CG 3.92Å; A483-R485 PolarHBondContact O-N 3.43Å; A483-R485 VanDerWaalsContact O-N 3.15Å; A483-N486 CarbonylContact O-C 3.58Å; A483-N486 PolarHBondContact O-N 3.15Å; A483-C487 PolarHBondContact O-N 2.93Å; A483-W523 HydrophobicContact CB-CD2 4.25Å; A483-W523 HydrophobicContact CB-CG 4.16Å; A483-W523 HydrophobicContact CB-CZ2 4.45Å
484	A	97.1	Very high	91.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-61.2	-25.3	177.9	0	0	0	0	0	113.4	L442 S443 L446 N486 C487 E549	L442-A484 HydrophobicContact CB-CB 4.46Å; L442-A484 WeakPolarHBondContact CB-O 3.38Å; L442-A484 HydrophobicContact CD2-CB 4.23Å; L442-A484 HydrophobicContact CG-CB 4.29Å; L442-A484 PolarHBondContact N-O 3.38Å; S443-A484 PolarHBondContact N-O 3.06Å; L446-A484 HydrophobicContact CD1-CB 4.44Å; A484-N486 VanDerWaalsContact C-N 3.26Å; A484-N486 PolarHBondContact O-N 2.6Å; A484-C487 PolarHBondContact O-N 2.94Å; A484-E549 HydrophobicContact CB-CB 4.11Å; A484-E549 PolarHBondContact N-OE2 3.47Å
485	R	93.8	Very high	91.9	Very high	77 Å²	77	33 Å²	33	29%	0.291	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-67.8	-25.2	173.1	61.7	170.6	178.7	-73.5	-9.1	113.6	C441 D481 A483 W523	C441-R485 WeakPolarHBondContact CB-O 3.47Å; D481-R485 IonicContact OD1-CZ 3.45Å; D481-R485 IonicContact OD1-NH2 3.19Å; D481-R485 PolarHBondContact OD1-NH2 3.27Å; A483-R485 HydrophobicContact CB-CG 3.92Å; A483-R485 PolarHBondContact O-N 3.43Å; A483-R485 VanDerWaalsContact O-N 3.15Å; R485-W523 VanDerWaalsContact NH1-CZ2 3.31Å; R485-W523 VanDerWaalsContact NH1-CZ3 3.3Å
486	N	94	Very high	92.6	Very high	13 Å²	13	33 Å²	33	7%	0.07	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-104.4	15.2	-178	-66.6	-12	0	0	0	111.6	D481 A483 A484 S498 D499	D481-N486 PolarHBondContact O-ND2 2.6Å; D481-N486 PolarHBondContact OD1-ND2 3.2Å; D481-N486 PolarHBondContact OD2-ND2 3.3Å; A483-N486 CarbonylContact O-C 3.58Å; A483-N486 PolarHBondContact O-N 3.15Å; A484-N486 VanDerWaalsContact C-N 3.26Å; A484-N486 PolarHBondContact O-N 2.6Å; N486-S498 CarbonylContact O-C 3.53Å; N486-S498 WeakPolarHBondContact O-CA 3.36Å; N486-S498 WeakPolarHBondContact O-CB 3.42Å; N486-S498 PolarHBondContact O-N 3.39Å; N486-S498 VanDerWaalsContact O-O 3.12Å; N486-D499 HydrophobicContact CB-CB 4.14Å
487	C	96.6	Very high	93.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	141.6	166.2	-62.2	0	0	0	0	108.2	C441 L442 A483 A484 V495 K496	C441-C487 CarbonylContact C-O 3.54Å; C441-C487 VanDerWaalsContact CA-O 3.26Å; C441-C487 WeakPolarHBondContact CA-O 3.41Å; L442-C487 HydrophobicContact CB-CB 3.92Å; L442-C487 HydrophobicContact CD2-CB 4.07Å; L442-C487 PolarHBondContact N-O 2.95Å; A483-C487 PolarHBondContact O-N 2.93Å; A484-C487 PolarHBondContact O-N 2.94Å; C487-V495 HydrophobicContact CB-CG1 3.67Å; C487-K496 CarbonylContact C-O 3.47Å; C487-K496 WeakPolarHBondContact CA-O 3.26Å
488	L	95.9	Very high	93.4	Very high	36 Å²	36	29.3 Å²	29.3	19%	0.188	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	149.7	179.6	-60.5	-175.2	0	0	0	110.5	V418 M437 G440 C441 V495 K496	V418-L488 HydrophobicContact CG1-CD1 4.42Å; V418-L488 HydrophobicContact CG2-CB 4.22Å; V418-L488 HydrophobicContact CG2-CD1 4.01Å; V418-L488 HydrophobicContact CG2-CG 4.3Å; M437-L488 HydrophobicContact CB-CB 3.76Å; M437-L488 HydrophobicContact CB-CD1 4Å; M437-L488 HydrophobicContact CB-CG 4.45Å; M437-L488 HydrophobicContact CE-CB 3.83Å; M437-L488 WeakPolarHBondContact CE-O 3.4Å; M437-L488 HydrophobicContact CG-CB 3.62Å; M437-L488 HydrophobicContact CG-CD1 3.64Å; M437-L488 HydrophobicContact CG-CG 4.27Å; G440-L488 WeakPolarHBondContact O-CA 3.46Å; C441-L488 HydrophobicContact CB-CD2 3.93Å; L488-V495 WeakPolarHBondContact O-CA 3.47Å; L488-K496 PolarHBondContact N-O 2.98Å; L488-K496 PolarHBondContact O-N 3.09Å
489	V	96.5	Very high	92.8	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.4	-175.1	-172.3	0	0	0	0	110	S439 G440 L442 Y445 E494 V495	S439-V489 WeakPolarHBondContact CB-O 3.32Å; S439-V489 PolarHBondContact N-O 2.95Å; G440-V489 PolarHBondContact O-N 3.45Å; L442-V489 HydrophobicContact CB-CG2 3.9Å; L442-V489 HydrophobicContact CD1-CG2 3.74Å; L442-V489 HydrophobicContact CG-CG2 4.46Å; Y445-V489 HydrophobicContact CD1-CG2 4.4Å; Y445-V489 HydrophobicContact CD2-CB 4.29Å; Y445-V489 HydrophobicContact CD2-CG1 4.03Å; Y445-V489 HydrophobicContact CD2-CG2 4.46Å; Y445-V489 HydrophobicContact CE2-CG1 4.01Å; Y445-V489 HydrophobicContact CG-CB 4.38Å; Y445-V489 HydrophobicContact CG-CG1 4.28Å; Y445-V489 HydrophobicContact CG-CG2 4.05Å; V489-E494 CarbonylContact C-O 3.43Å; V489-E494 WeakPolarHBondContact CA-O 3.47Å; V489-V495 HydrophobicContact CG2-CG2 4.47Å
490	T	91.5	Very high	91.6	Very high	14 Å²	14	31.5 Å²	31.5	9%	0.086	15%	0.152	C	C	.	.			trans	-78.7	164.2	173.9	74.5	0	0	0	0	110.4	M437 N492 N493 E494	M437-T490 HydrophobicContact CE-CG2 3.43Å; M437-T490 VanDerWaalsContact CE-CG2 3.43Å; M437-T490 HydrophobicContact SD-CG2 4.12Å; T490-N492 PolarHBondContact O-N 3.03Å; T490-N492 PolarHBondContact OG1-N 3.48Å; T490-N493 PolarHBondContact O-N 3.3Å; T490-E494 HydrophobicContact CG2-CB 4.13Å; T490-E494 PolarHBondContact N-O 3.16Å; T490-E494 WeakPolarHBondContact OG1-CB 3.29Å; T490-E494 PolarHBondContact OG1-N 3.21Å
491	K	89.6	Confident	90.1	Very high	138 Å²	138	32 Å²	32	60%	0.6	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-19.9	170.1	69.4	-177	179.6	-169.8	0	115.5	E438 N493	E438-K491 HydrophobicContact CB-CB 4.49Å; E438-K491 PolarHBondContact OE2-N 3.09Å; K491-N493 VanDerWaalsContact C-N 3.34Å
492	N	88.6	Confident	88.6	Confident	113 Å²	113	32.8 Å²	32.8	60%	0.604	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	12.5	180	-64.2	-26.4	0	0	0	112.5	T490 E494	T490-N492 PolarHBondContact O-N 3.03Å; T490-N492 PolarHBondContact OG1-N 3.48Å; N492-E494 HydrophobicContact CB-CG 4.45Å; N492-E494 PolarHBondContact O-N 3.22Å
493	N	90.6	Very high	87.2	Confident	60 Å²	60	33.5 Å²	33.5	32%	0.321	17%	0.171	S	C	.	.	S	Bend	trans	64	18.4	-175.5	-47	-40.5	0	0	0	114.8	Y445 L457 T490 K491	Y445-N493 VanDerWaalsContact OH-CG 3.23Å; Y445-N493 PolarHBondContact OH-OD1 3.03Å; L457-N493 HydrophobicContact CD1-CB 3.88Å; T490-N493 PolarHBondContact O-N 3.3Å; K491-N493 VanDerWaalsContact C-N 3.34Å
494	E	93.7	Very high	85.9	Confident	83 Å²	83	35 Å²	35	39%	0.388	18%	0.176	S	C	.	.			trans	-79.9	144.8	170.3	-58.7	179	117.1	0	0	109.8	K416 D464 V489 T490 N492	K416-E494 IonicContact NZ-OE1 3.73Å; K416-E494 PolarHBondContact NZ-OE1 3.33Å; D464-E494 VanDerWaalsContact OD2-CA 3.27Å; D464-E494 WeakPolarHBondContact OD2-CA 3.36Å; V489-E494 CarbonylContact C-O 3.43Å; V489-E494 WeakPolarHBondContact CA-O 3.47Å; T490-E494 HydrophobicContact CG2-CB 4.13Å; T490-E494 PolarHBondContact N-O 3.16Å; T490-E494 WeakPolarHBondContact OG1-CB 3.29Å; T490-E494 PolarHBondContact OG1-N 3.21Å; N492-E494 HydrophobicContact CB-CG 4.45Å; N492-E494 PolarHBondContact O-N 3.22Å
495	V	97.3	Very high	84.3	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	138.5	179.1	-174.1	0	0	0	0	110.3	L442 M461 D464 V465 C487 L488 V489	L442-V495 HydrophobicContact CD1-CG2 4.07Å; L442-V495 HydrophobicContact CD2-CG1 4.08Å; L442-V495 HydrophobicContact CD2-CG2 4.42Å; M461-V495 HydrophobicContact CB-CG2 3.74Å; M461-V495 HydrophobicContact CG-CG2 3.57Å; D464-V495 HydrophobicContact CB-CB 3.94Å; D464-V495 WeakPolarHBondContact CB-O 3.22Å; D464-V495 PolarHBondContact OD2-N 3.42Å; V465-V495 HydrophobicContact CG2-CB 4.16Å; V465-V495 HydrophobicContact CG2-CG1 3.47Å; V465-V495 VanDerWaalsContact CG2-CG1 3.47Å; C487-V495 HydrophobicContact CB-CG1 3.67Å; L488-V495 WeakPolarHBondContact O-CA 3.47Å; V489-V495 HydrophobicContact CG2-CG2 4.47Å
496	K	96.7	Very high	82.7	Confident	29 Å²	29	34.3 Å²	34.3	13%	0.126	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	136.9	170.2	-59.9	-169.5	178.4	-166.3	0	110.4	C415 K416 V418 E435 M437 C487 L488	C415-K496 WeakPolarHBondContact O-CE 3.34Å; K416-K496 CarbonylContact O-C 3.57Å; K416-K496 VanDerWaalsContact O-CA 3.31Å; K416-K496 WeakPolarHBondContact O-CA 3.44Å; V418-K496 HydrophobicContact CG2-CB 3.65Å; V418-K496 HydrophobicContact CG2-CD 4.5Å; E435-K496 IonicContact OE1-NZ 3.64Å; E435-K496 PolarHBondContact OE1-NZ 3.16Å; E435-K496 IonicContact OE2-NZ 2.63Å; E435-K496 PolarHBondContact OE2-NZ 3.4Å; M437-K496 HydrophobicContact CE-CB 3.9Å; M437-K496 HydrophobicContact CE-CD 3.83Å; M437-K496 HydrophobicContact CE-CG 3.79Å; M437-K496 HydrophobicContact SD-CD 4.08Å; C487-K496 CarbonylContact C-O 3.47Å; C487-K496 WeakPolarHBondContact CA-O 3.26Å; L488-K496 PolarHBondContact N-O 2.98Å; L488-K496 PolarHBondContact O-N 3.09Å
497	V	95.3	Very high	80.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	136.1	173.6	-174.2	0	0	0	0	109	K416 L417 V418 V465 M469 H479 L482	K416-V497 PolarHBondContact O-N 3.2Å; L417-V497 HydrophobicContact CD2-CB 3.72Å; L417-V497 HydrophobicContact CD2-CG1 4.43Å; L417-V497 HydrophobicContact CD2-CG2 4.35Å; V418-V497 WeakPolarHBondContact CG2-O 3.34Å; V418-V497 PolarHBondContact N-O 2.87Å; V465-V497 HydrophobicContact CB-CG2 4.4Å; V465-V497 HydrophobicContact CG1-CG2 3.96Å; V465-V497 HydrophobicContact CG2-CG2 4.49Å; M469-V497 HydrophobicContact CG-CG2 4.38Å; M469-V497 HydrophobicContact SD-CG1 4.14Å; M469-V497 HydrophobicContact SD-CG2 4.45Å; H479-V497 VanDerWaalsContact CD2-CG1 3.49Å; H479-V497 WeakPolarHBondContact CD2-CG1 3.36Å; H479-V497 VanDerWaalsContact NE2-CG1 3.33Å; H479-V497 WeakPolarHBondContact NE2-CG1 3.45Å; L482-V497 HydrophobicContact CD1-CG1 4.04Å
498	S	90.2	Very high	79.5	Confident	16 Å²	16	39.4 Å²	39.4	11%	0.112	20%	0.203	C	C	.	.			trans	-135	-177.8	-173.4	-163.3	0	0	0	0	111.2	H479 N486	H479-S498 PolarHBondContact NE2-O 3.28Å; N486-S498 CarbonylContact O-C 3.53Å; N486-S498 WeakPolarHBondContact O-CA 3.36Å; N486-S498 WeakPolarHBondContact O-CB 3.42Å; N486-S498 PolarHBondContact O-N 3.39Å; N486-S498 VanDerWaalsContact O-O 3.12Å
499	D	75.4	Confident	78.3	Confident	35 Å²	35	40.1 Å²	40.1	19%	0.187	21%	0.207	C	C	.	.			trans	60.5	54.4	173.6	-151.9	8.8	0	0	0	114.4	K390 N486 G501	K390-D499 IonicContact NZ-OD1 3.73Å; K390-D499 PolarHBondContact NZ-OD1 2.78Å; N486-D499 HydrophobicContact CB-CB 4.14Å; D499-G501 PolarHBondContact O-N 3.35Å
500	F	66	Low	77.2	Confident	11 Å²	11	44.4 Å²	44.4	5%	0.048	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-70.4	12.4	175.6	-43.2	-76.5	0	0	0	114.5	M409 L412 L417 V418 L472 M502 T503	M409-F500 HydrophobicContact CG-CB 4.11Å; M409-F500 HydrophobicContact CG-CD2 4.04Å; M409-F500 HydrophobicContact CG-CG 4.37Å; M409-F500 HydrophobicContact SD-CB 3.57Å; M409-F500 VanDerWaalsContact SD-CB 3.57Å; M409-F500 HydrophobicContact SD-CD2 3.81Å; M409-F500 HydrophobicContact SD-CG 4.15Å; L412-F500 HydrophobicContact CD1-CD1 4.38Å; L417-F500 HydrophobicContact CB-CZ 3.91Å; L417-F500 HydrophobicContact CD1-CE1 4.22Å; L417-F500 HydrophobicContact CD1-CZ 4.1Å; L417-F500 HydrophobicContact CD2-CE1 3.95Å; L417-F500 HydrophobicContact CD2-CZ 3.94Å; L417-F500 HydrophobicContact CG-CZ 4.19Å; V418-F500 WeakPolarHBondContact O-CE2 3.22Å; L472-F500 HydrophobicContact CD1-CE1 4.19Å; L472-F500 HydrophobicContact CD2-CE1 4.41Å; F500-M502 PolarHBondContact O-N 2.86Å; F500-T503 WeakPolarHBondContact CA-OG1 3.47Å; F500-T503 WeakPolarHBondContact CB-OG1 3.5Å; F500-T503 HydrophobicContact CD1-CG2 4.47Å; F500-T503 WeakPolarHBondContact O-CB 3.46Å; F500-T503 PolarHBondContact O-N 3.19Å; F500-T503 PolarHBondContact O-OG1 3.29Å
501	G	58.7	Low	76.3	Confident	29 Å²	29	44.4 Å²	44.4	30%	0.299	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-61.4	-12	179.5	0	0	0	0	0	114.1	D499	D499-G501 PolarHBondContact O-N 3.35Å
502	M	61.6	Low	75.4	Confident	34 Å²	34	40.4 Å²	40.4	17%	0.167	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-113.3	-6.1	171.9	-68.4	-67.6	-79.4	0	0	113.5	F374 R480 F500	F374-M502 HydrophobicContact CE1-CG 3.78Å; F374-M502 HydrophobicContact CE1-SD 3.67Å; F374-M502 HydrophobicContact CE2-CG 4.14Å; F374-M502 HydrophobicContact CZ-CG 3.3Å; F374-M502 HydrophobicContact CZ-SD 3.71Å; R480-M502 HydrophobicContact CB-CB 4.39Å; R480-M502 VanDerWaalsContact CD-O 3.29Å; R480-M502 WeakPolarHBondContact CD-O 3.35Å; R480-M502 PolarHBondContact NH1-O 3.11Å; F500-M502 PolarHBondContact O-N 2.86Å
503	T	66.8	Low	74.3	Confident	16 Å²	16	35.5 Å²	35.5	10%	0.098	19%	0.187	C	C	.	.			trans	-68.6	141.6	-175.2	-53.5	0	0	0	0	110.5	F477 I478 F500	F477-T503 HydrophobicContact CB-CG2 3.98Å; F477-T503 HydrophobicContact CD1-CG2 3.64Å; F477-T503 HydrophobicContact CG-CG2 4.28Å; I478-T503 CarbonylContact O-C 3.55Å; I478-T503 WeakPolarHBondContact O-CA 3.38Å; I478-T503 VanDerWaalsContact O-CG2 3.24Å; I478-T503 WeakPolarHBondContact O-CG2 3.13Å; F500-T503 WeakPolarHBondContact CA-OG1 3.47Å; F500-T503 WeakPolarHBondContact CB-OG1 3.5Å; F500-T503 HydrophobicContact CD1-CG2 4.47Å; F500-T503 WeakPolarHBondContact O-CB 3.46Å; F500-T503 PolarHBondContact O-N 3.19Å; F500-T503 PolarHBondContact O-OG1 3.29Å
504	R	68	Low	72.9	Confident	31 Å²	31	35.1 Å²	35.1	12%	0.117	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.8	-178.1	-64.4	-66.4	172.6	168	-5.7	110.8	E405 F477 I478 V506	E405-R504 VanDerWaalsContact CD-CZ 3.5Å; E405-R504 IonicContact OE1-CZ 3.51Å; E405-R504 IonicContact OE1-NH1 3.44Å; E405-R504 PolarHBondContact OE1-NH1 2.69Å; E405-R504 IonicContact OE1-NH2 2.83Å; E405-R504 PolarHBondContact OE1-NH2 2.72Å; E405-R504 IonicContact OE2-CZ 3.43Å; E405-R504 IonicContact OE2-NH1 2.68Å; E405-R504 IonicContact OE2-NH2 2.68Å; E405-R504 PolarHBondContact OE2-NH2 2.99Å; F477-R504 WeakPolarHBondContact CA-O 3.46Å; I478-R504 PolarHBondContact N-O 3.35Å; I478-R504 PolarHBondContact O-N 3.36Å; R504-V506 HydrophobicContact CB-CG2 4.12Å
505	F	64.3	Low	70.9	Confident	62 Å²	62	39.4 Å²	39.4	27%	0.272	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	131.1	163.9	177.9	-102	0	0	0	109.6	H325 V408 N476 F477 L507	H325-F505 AromaticContact CD2-CD1 3.67Å; H325-F505 AromaticContact CD2-CE1 3.92Å; V408-F505 HydrophobicContact CG1-CB 3.94Å; N476-F505 HydrophobicContact CB-CD2 4.28Å; N476-F505 HydrophobicContact CB-CE2 3.9Å; N476-F505 WeakPolarHBondContact O-CA 2.82Å; F477-F505 HydrophobicContact CD1-CB 4.22Å; F477-F505 HydrophobicContact CD2-CD2 4.08Å; F477-F505 HydrophobicContact CE1-CB 3.87Å; F477-F505 HydrophobicContact CE2-CB 4.32Å; F477-F505 AromaticContact CE2-CD2 3.74Å; F477-F505 HydrophobicContact CE2-CD2 3.74Å; F477-F505 HydrophobicContact CE2-CG 4.47Å; F477-F505 HydrophobicContact CZ-CB 3.92Å; F477-F505 HydrophobicContact CZ-CD2 4.14Å; F477-F505 HydrophobicContact CZ-CG 4.44Å; F505-L507 HydrophobicContact CE1-CD2 3.8Å; F505-L507 HydrophobicContact CE1-CG 4.37Å; F505-L507 HydrophobicContact CZ-CD2 3.96Å
506	V	58.9	Low	68.7	Low	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.249	C	C	.	.			trans	-143.6	128.3	-170.5	175.8	0	0	0	0	109.8	N326 N476 I478 R504 D508 Q510	N326-V506 WeakPolarHBondContact OD1-CG1 3.42Å; N476-V506 VanDerWaalsContact CB-O 3.31Å; N476-V506 WeakPolarHBondContact CB-O 3.29Å; N476-V506 PolarHBondContact O-N 3.41Å; I478-V506 HydrophobicContact CD1-CB 4.07Å; I478-V506 HydrophobicContact CD1-CG1 4.23Å; I478-V506 HydrophobicContact CD1-CG2 3.71Å; I478-V506 HydrophobicContact CG1-CB 4.47Å; I478-V506 HydrophobicContact CG1-CG2 4.24Å; R504-V506 HydrophobicContact CB-CG2 4.12Å; V506-D508 PolarHBondContact O-N 3.05Å; V506-Q510 VanDerWaalsContact CG1-N 3.29Å; V506-Q510 VanDerWaalsContact CG1-O 3.28Å; V506-Q510 WeakPolarHBondContact CG1-O 3.49Å
507	L	52.9	Low	67	Low	73 Å²	73	43.4 Å²	43.4	38%	0.382	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-26.7	-171.8	-68.9	170.7	0	0	0	114.7	H325 F505	H325-L507 HydrophobicContact CB-CD1 4.1Å; H325-L507 HydrophobicContact CB-CG 4.18Å; F505-L507 HydrophobicContact CE1-CD2 3.8Å; F505-L507 HydrophobicContact CE1-CG 4.37Å; F505-L507 HydrophobicContact CZ-CD2 3.96Å
508	D	70.3	Confident	65.7	Low	48 Å²	48	51.3 Å²	51.3	26%	0.257	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130	26.6	-171.3	65	-29.4	0	0	0	112.9	Y322 N326 V506 Q510	Y322-D508 HydrophobicContact CE2-CB 4.22Å; Y322-D508 WeakPolarHBondContact CE2-OD2 3.49Å; Y322-D508 PolarHBondContact OH-OD2 3.4Å; N326-D508 PolarHBondContact ND2-OD1 3.01Å; V506-D508 PolarHBondContact O-N 3.05Å; D508-Q510 PolarHBondContact O-N 2.95Å
509	D	71.8	Confident	65	Low	51 Å²	51	53 Å²	53	27%	0.273	29%	0.293	S	S	.	.	S	Bend	trans	53.8	25.6	178.4	-169.4	38.8	0	0	0	114.6	S535 S536	D509-S535 VanDerWaalsContact O-CA 3.3Å; D509-S535 WeakPolarHBondContact O-CA 3.39Å; D509-S535 WeakPolarHBondContact O-CB 3.44Å; D509-S536 VanDerWaalsContact CG-OG 3.26Å; D509-S536 WeakPolarHBondContact OD1-CA 3.46Å; D509-S536 WeakPolarHBondContact OD1-CB 3.44Å; D509-S536 PolarHBondContact OD1-N 3.49Å; D509-S536 PolarHBondContact OD1-OG 3.35Å; D509-S536 WeakPolarHBondContact OD2-CB 3.49Å; D509-S536 PolarHBondContact OD2-OG 2.97Å
510	Q	73.3	Confident	65.7	Low	89 Å²	89	52.7 Å²	52.7	42%	0.416	29%	0.293	S	S	.	.			trans	-136.1	123.2	177	-71.9	-177.8	44.2	0	0	112.1	N326 V506 D508	N326-Q510 PolarHBondContact OD1-O 3.27Å; N326-Q510 VanDerWaalsContact OD1-O 3.12Å; V506-Q510 VanDerWaalsContact CG1-N 3.29Å; V506-Q510 VanDerWaalsContact CG1-O 3.28Å; V506-Q510 WeakPolarHBondContact CG1-O 3.49Å; D508-Q510 PolarHBondContact O-N 2.95Å
511	Y	72.4	Confident	67	Low	14 Å²	14	53.1 Å²	53.1	6%	0.055	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121.9	175.1	175.3	-100.1	0	0	0	110.5	F534	Y511-F534 HydrophobicContact CD1-CB 4.22Å; Y511-F534 AromaticContact CD1-CD2 3.9Å; Y511-F534 HydrophobicContact CD1-CD2 3.9Å; Y511-F534 HydrophobicContact CD1-CG 4.35Å; Y511-F534 HydrophobicContact CE1-CD2 4.37Å; Y511-F534 PolarHBondContact N-O 3.3Å; Y511-F534 PolarHBondContact O-N 3Å
512	T	70.6	Confident	68.8	Low	54 Å²	54	52.7 Å²	52.7	33%	0.331	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	116.5	171.1	-53.8	0	0	0	0	108.9	S532	T512-S532 WeakPolarHBondContact CA-O 3.47Å
513	S	65.7	Low	70.5	Confident	11 Å²	11	52.1 Å²	52.1	8%	0.077	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-76.6	156.8	178.7	-156.2	0	0	0	0	111.6	S517 S532	S513-S517 WeakPolarHBondContact CB-OG 3.3Å; S513-S517 PolarHBondContact OG-OG 3.19Å; S513-S532 PolarHBondContact N-O 3.19Å
514	S	60.8	Low	71.8	Confident	52 Å²	52	51.7 Å²	51.7	36%	0.364	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-63	148.7	174.2	45.8	0	0	0	0	111.3	G516 S517	S514-G516 PolarHBondContact O-N 3.46Å; S514-S517 PolarHBondContact O-N 3.31Å; S514-S517 PolarHBondContact O-OG 3.21Å
515	Q	51	Low	73.2	Confident	173 Å²	173	50.3 Å²	50.3	81%	0.808	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	131.6	177.8	-68.4	-173.2	-1.1	0	0	110.4
516	G	52.6	Low	74.6	Confident	81 Å²	81	47.8 Å²	47.8	84%	0.835	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.4	2.3	-179.3	0	0	0	0	0	115.8	S514	S514-G516 PolarHBondContact O-N 3.46Å
517	S	59.6	Low	76.2	Confident	31 Å²	31	48.8 Å²	48.8	22%	0.217	27%	0.27	C	S	.	.			trans	-65.1	131.5	172.1	45.2	0	0	0	0	111.7	S513 S514 F519	S513-S517 WeakPolarHBondContact CB-OG 3.3Å; S513-S517 PolarHBondContact OG-OG 3.19Å; S514-S517 PolarHBondContact O-N 3.31Å; S514-S517 PolarHBondContact O-OG 3.21Å; S517-F519 WeakPolarHBondContact O-CD1 3.35Å
518	K	68.1	Low	78.1	Confident	167 Å²	167	45.4 Å²	45.4	73%	0.726	25%	0.252	S	S	*	.			trans	-79.1	135	174.3	-65.4	-177.7	-178.7	177.4	0	109.7
519	F	77.3	Confident	79	Confident	51 Å²	51	44.8 Å²	44.8	22%	0.224	25%	0.248	C	C	.	.			trans	-144	158.2	177.9	56.4	-98.9	0	0	0	111	S517 V521 S524 V528 I529 F534	S517-F519 WeakPolarHBondContact O-CD1 3.35Å; F519-V521 HydrophobicContact CD2-CG2 4.38Å; F519-V521 HydrophobicContact CE2-CG2 4.09Å; F519-V521 PolarHBondContact O-N 3.17Å; F519-S524 WeakPolarHBondContact CD2-OG 3.43Å; F519-V528 HydrophobicContact CD2-CG1 4.22Å; F519-V528 HydrophobicContact CE2-CG1 4.41Å; F519-V528 HydrophobicContact CG-CG1 4.39Å; F519-I529 HydrophobicContact CE2-CG1 4.08Å; F519-F534 HydrophobicContact CB-CZ 4.25Å
520	P	89.3	Confident	79.7	Confident	28 Å²	28	48.9 Å²	48.9	18%	0.182	26%	0.264	C	S	.	.			trans	-77.9	83.7	-174.7	36.2	-43.5	0	0	0	112.3	D481 K522 W523 S524	D481-P520 VanDerWaalsContact OD1-CG 3.28Å; D481-P520 WeakPolarHBondContact OD1-CG 3.48Å; P520-K522 PolarHBondContact O-N 3.5Å; P520-W523 HydrophobicContact CB-CE3 4.04Å; P520-W523 HydrophobicContact CG-CB 4.41Å; P520-W523 PolarHBondContact O-N 3.18Å; P520-S524 PolarHBondContact O-N 3.32Å; P520-S524 PolarHBondContact O-OG 2.88Å; P520-S524 VanDerWaalsContact O-OG 3.06Å
521	V	92.9	Very high	80.2	Confident	21 Å²	21	50.5 Å²	50.5	13%	0.127	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-41.4	-44.8	-173.8	177.9	0	0	0	0	114.5	F519 W523 S524 N563 V567	F519-V521 HydrophobicContact CD2-CG2 4.38Å; F519-V521 HydrophobicContact CE2-CG2 4.09Å; F519-V521 PolarHBondContact O-N 3.17Å; V521-W523 PolarHBondContact O-N 3.47Å; V521-S524 PolarHBondContact O-N 3.39Å; V521-S524 VanDerWaalsContact O-N 3.17Å; V521-N563 HydrophobicContact CB-CB 4.09Å; V521-N563 HydrophobicContact CG1-CB 4.02Å; V521-N563 HydrophobicContact CG2-CB 4.12Å; V521-V567 HydrophobicContact CG1-CG2 3.78Å
522	K	96.2	Very high	80.7	Confident	20 Å²	20	50.9 Å²	50.9	9%	0.087	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-67.8	-16.5	-176.5	-69.6	174.8	169.9	-148.3	0	115.1	P520 P557 Y558 R561 V566	P520-K522 PolarHBondContact O-N 3.5Å; K522-P557 HydrophobicContact CB-CB 4.46Å; K522-P557 VanDerWaalsContact CD-O 3.31Å; K522-P557 WeakPolarHBondContact CD-O 3.5Å; K522-P557 PolarHBondContact NZ-O 3.48Å; K522-Y558 HydrophobicContact CB-CD2 4.45Å; K522-Y558 HydrophobicContact CG-CD2 4.44Å; K522-Y558 PolarHBondContact NZ-O 2.78Å; K522-R561 WeakPolarHBondContact CE-O 3.36Å; K522-R561 PolarHBondContact NZ-O 3.19Å; K522-V566 HydrophobicContact CG-CG2 4.26Å
523	W	96.9	Very high	81.4	Confident	22 Å²	22	52.9 Å²	52.9	8%	0.083	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-109.6	-7.5	175.3	-69.7	-102.4	0	0	0	112.6	A483 R485 P520 V521 W541 V545 E549 L556 P557	A483-W523 HydrophobicContact CB-CD2 4.25Å; A483-W523 HydrophobicContact CB-CG 4.16Å; A483-W523 HydrophobicContact CB-CZ2 4.45Å; R485-W523 VanDerWaalsContact NH1-CZ2 3.31Å; R485-W523 VanDerWaalsContact NH1-CZ3 3.3Å; P520-W523 HydrophobicContact CB-CE3 4.04Å; P520-W523 HydrophobicContact CG-CB 4.41Å; P520-W523 PolarHBondContact O-N 3.18Å; V521-W523 PolarHBondContact O-N 3.47Å; W523-W541 VanDerWaalsContact O-CD1 3.32Å; W523-V545 VanDerWaalsContact CD1-CG1 3.46Å; W523-V545 HydrophobicContact CD2-CG1 4.46Å; W523-V545 HydrophobicContact CG-CB 4.47Å; W523-V545 HydrophobicContact CG-CG1 4Å; W523-E549 WeakPolarHBondContact CZ2-OE1 3.4Å; W523-E549 VanDerWaalsContact NE1-CD 3.34Å; W523-E549 PolarHBondContact NE1-OE2 2.73Å; W523-L556 HydrophobicContact CH2-CD1 3.59Å; W523-L556 HydrophobicContact CZ2-CD1 4.4Å; W523-L556 HydrophobicContact CZ3-CD1 4.38Å; W523-P557 HydrophobicContact CH2-CG 4.38Å; W523-P557 HydrophobicContact CZ2-CG 3.8Å
524	S	95.4	Very high	82.5	Confident	7 Å²	7	52.7 Å²	52.7	5%	0.049	27%	0.273	C	S	.	.			trans	-84.6	139.6	-174.3	-63	0	0	0	0	112	F519 P520 V521 I529 W541	F519-S524 WeakPolarHBondContact CD2-OG 3.43Å; P520-S524 PolarHBondContact O-N 3.32Å; P520-S524 PolarHBondContact O-OG 2.88Å; P520-S524 VanDerWaalsContact O-OG 3.06Å; V521-S524 PolarHBondContact O-N 3.39Å; V521-S524 VanDerWaalsContact O-N 3.17Å; S524-I529 WeakPolarHBondContact O-CD1 3.34Å; S524-W541 PolarHBondContact O-NE1 2.92Å
525	A	96.5	Very high	84	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.008	26%	0.26	C	S	.	.			trans	-69.3	157	173.8	0	0	0	0	0	111.9	E527 V528 I529 W541	A525-E527 VanDerWaalsContact C-N 3.28Å; A525-E527 VanDerWaalsContact CB-CD 3.48Å; A525-E527 VanDerWaalsContact CB-OE1 3.26Å; A525-E527 WeakPolarHBondContact CB-OE1 3.35Å; A525-E527 VanDerWaalsContact CB-OE2 3.32Å; A525-E527 WeakPolarHBondContact CB-OE2 3.47Å; A525-E527 PolarHBondContact O-N 3.17Å; A525-V528 HydrophobicContact CB-CG2 4.34Å; A525-V528 WeakPolarHBondContact O-CB 3.45Å; A525-V528 PolarHBondContact O-N 2.83Å; A525-I529 WeakPolarHBondContact O-CG1 3.29Å; A525-I529 PolarHBondContact O-N 3.12Å; A525-W541 HydrophobicContact CB-CB 3.76Å; A525-W541 HydrophobicContact CB-CD2 3.89Å; A525-W541 HydrophobicContact CB-CE3 4.24Å; A525-W541 HydrophobicContact CB-CG 3.66Å
526	P	94	Very high	86	Confident	10 Å²	10	42.8 Å²	42.8	7%	0.065	22%	0.223	C	C	.	.	H	α-helix	trans	-54.8	-38.9	-179.1	-27.3	35.7	0	0	0	114	V528 I529 K530 W541	P526-V528 VanDerWaalsContact C-N 3.34Å; P526-V528 PolarHBondContact O-N 3.43Å; P526-I529 PolarHBondContact O-N 2.87Å; P526-K530 VanDerWaalsContact O-CB 3.3Å; P526-K530 WeakPolarHBondContact O-CB 3.4Å; P526-K530 PolarHBondContact O-N 2.85Å; P526-W541 HydrophobicContact CG-CH2 3.74Å; P526-W541 HydrophobicContact CG-CZ2 4.33Å; P526-W541 HydrophobicContact CG-CZ3 3.96Å
527	E	93	Very high	88.1	Confident	21 Å²	21	41 Å²	41	10%	0.098	19%	0.192	C	C	.	.	H	α-helix	trans	-69.9	-28.5	178	71.7	-77.6	-175.3	0	0	113.6	A525 Y531 S532 K533 P598 R601	A525-E527 VanDerWaalsContact C-N 3.28Å; A525-E527 VanDerWaalsContact CB-CD 3.48Å; A525-E527 VanDerWaalsContact CB-OE1 3.26Å; A525-E527 WeakPolarHBondContact CB-OE1 3.35Å; A525-E527 VanDerWaalsContact CB-OE2 3.32Å; A525-E527 WeakPolarHBondContact CB-OE2 3.47Å; A525-E527 PolarHBondContact O-N 3.17Å; E527-Y531 HydrophobicContact CB-CD2 4.45Å; E527-Y531 WeakPolarHBondContact O-CA 3.26Å; E527-Y531 WeakPolarHBondContact O-CB 3.49Å; E527-Y531 PolarHBondContact O-N 2.69Å; E527-S532 PolarHBondContact O-N 3.32Å; E527-K533 PolarHBondContact O-N 3.15Å; E527-P598 HydrophobicContact CG-CG 4.06Å; E527-R601 IonicContact OE1-CZ 2.69Å; E527-R601 IonicContact OE1-NH1 3.7Å; E527-R601 PolarHBondContact OE1-NH1 3.06Å; E527-R601 IonicContact OE1-NH2 3.07Å; E527-R601 PolarHBondContact OE1-NH2 3.32Å; E527-R601 IonicContact OE2-CZ 3.54Å; E527-R601 IonicContact OE2-NH1 2.71Å; E527-R601 IonicContact OE2-NH2 3.04Å; E527-R601 PolarHBondContact OE2-NH2 3Å
528	V	92.1	Very high	89.9	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-70.4	-47.1	171	175.5	0	0	0	0	109.3	F519 A525 P526 K530 S532 K533 F534	F519-V528 HydrophobicContact CD2-CG1 4.22Å; F519-V528 HydrophobicContact CE2-CG1 4.41Å; F519-V528 HydrophobicContact CG-CG1 4.39Å; A525-V528 HydrophobicContact CB-CG2 4.34Å; A525-V528 WeakPolarHBondContact O-CB 3.45Å; A525-V528 PolarHBondContact O-N 2.83Å; P526-V528 VanDerWaalsContact C-N 3.34Å; P526-V528 PolarHBondContact O-N 3.43Å; V528-K530 VanDerWaalsContact C-N 3.34Å; V528-K530 PolarHBondContact O-N 2.8Å; V528-S532 WeakPolarHBondContact O-CA 3.4Å; V528-S532 PolarHBondContact O-N 2.76Å; V528-K533 WeakPolarHBondContact CG2-O 3.47Å; V528-F534 HydrophobicContact CG1-CD1 4.07Å; V528-F534 HydrophobicContact CG1-CE1 3.49Å; V528-F534 VanDerWaalsContact CG1-CE1 3.49Å; V528-F534 HydrophobicContact CG1-CE2 4.06Å; V528-F534 HydrophobicContact CG1-CZ 3.48Å; V528-F534 VanDerWaalsContact CG1-CZ 3.48Å; V528-F534 HydrophobicContact CG2-CD1 4.01Å; V528-F534 HydrophobicContact CG2-CE1 4.27Å; V528-F534 HydrophobicContact CG2-CG 4.34Å
529	I	90.1	Very high	91.3	Very high	34 Å²	34	32 Å²	32	17%	0.174	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-45.3	-179.5	-67.6	166	0	0	0	111.1	F519 S524 A525 P526 V567 L570	F519-I529 HydrophobicContact CE2-CG1 4.08Å; S524-I529 WeakPolarHBondContact O-CD1 3.34Å; A525-I529 WeakPolarHBondContact O-CG1 3.29Å; A525-I529 PolarHBondContact O-N 3.12Å; P526-I529 PolarHBondContact O-N 2.87Å; I529-V567 HydrophobicContact CD1-CG2 4.4Å; I529-V567 HydrophobicContact CG2-CB 4.43Å; I529-V567 HydrophobicContact CG2-CG1 3.89Å; I529-V567 HydrophobicContact CG2-CG2 3.68Å; I529-L570 HydrophobicContact CD1-CD1 3.73Å
530	K	86.4	Confident	92.4	Very high	138 Å²	138	29.5 Å²	29.5	60%	0.6	14%	0.139	S	C	*	.	H	α-helix	trans	-85.6	-33.2	-171.1	-167	172.7	178.8	-170.3	0	113.5	P526 V528	P526-K530 VanDerWaalsContact O-CB 3.3Å; P526-K530 WeakPolarHBondContact O-CB 3.4Å; P526-K530 PolarHBondContact O-N 2.85Å; V528-K530 VanDerWaalsContact C-N 3.34Å; V528-K530 PolarHBondContact O-N 2.8Å
531	Y	83	Confident	92.8	Very high	122 Å²	122	28.2 Å²	28.2	48%	0.478	13%	0.131	S	C	.	.	H	α-helix	trans	-130.9	2.8	-169.4	-51	-65.2	0	0	0	114	E527 K533	E527-Y531 HydrophobicContact CB-CD2 4.45Å; E527-Y531 WeakPolarHBondContact O-CA 3.26Å; E527-Y531 WeakPolarHBondContact O-CB 3.49Å; E527-Y531 PolarHBondContact O-N 2.69Å; Y531-K533 PolarHBondContact O-N 3.4Å; Y531-K533 VanDerWaalsContact O-N 3.15Å
532	S	83.6	Confident	93.1	Very high	22 Å²	22	27.5 Å²	27.5	15%	0.154	13%	0.127	C	C	.	.			trans	52.5	32	-173.5	-57.9	0	0	0	0	113.2	T512 S513 E527 V528 F534	T512-S532 WeakPolarHBondContact CA-O 3.47Å; S513-S532 PolarHBondContact N-O 3.19Å; E527-S532 PolarHBondContact O-N 3.32Å; V528-S532 WeakPolarHBondContact O-CA 3.4Å; V528-S532 PolarHBondContact O-N 2.76Å; S532-F534 WeakPolarHBondContact O-CD2 3.35Å
533	K	84.9	Confident	93.2	Very high	96 Å²	96	26.6 Å²	26.6	42%	0.417	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	106.5	-179.8	-72.9	-178.6	179.5	178.8	0	110.6	E527 V528 Y531	E527-K533 PolarHBondContact O-N 3.15Å; V528-K533 WeakPolarHBondContact CG2-O 3.47Å; Y531-K533 PolarHBondContact O-N 3.4Å; Y531-K533 VanDerWaalsContact O-N 3.15Å
534	F	88.8	Confident	93.3	Very high	7 Å²	7	25.5 Å²	25.5	3%	0.031	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	147.1	174.7	-60.1	-96.2	0	0	0	110.5	I478 R480 Y511 F519 V528 S532 S538	I478-F534 HydrophobicContact CG2-CB 4.3Å; R480-F534 HydrophobicContact CB-CD1 3.82Å; R480-F534 HydrophobicContact CB-CE1 4.04Å; R480-F534 HydrophobicContact CG-CB 4.09Å; R480-F534 HydrophobicContact CG-CD1 3.69Å; R480-F534 HydrophobicContact CG-CE1 4.35Å; R480-F534 HydrophobicContact CG-CG 4.01Å; Y511-F534 HydrophobicContact CD1-CB 4.22Å; Y511-F534 AromaticContact CD1-CD2 3.9Å; Y511-F534 HydrophobicContact CD1-CD2 3.9Å; Y511-F534 HydrophobicContact CD1-CG 4.35Å; Y511-F534 HydrophobicContact CE1-CD2 4.37Å; Y511-F534 PolarHBondContact N-O 3.3Å; Y511-F534 PolarHBondContact O-N 3Å; F519-F534 HydrophobicContact CB-CZ 4.25Å; V528-F534 HydrophobicContact CG1-CD1 4.07Å; V528-F534 HydrophobicContact CG1-CE1 3.49Å; V528-F534 VanDerWaalsContact CG1-CE1 3.49Å; V528-F534 HydrophobicContact CG1-CE2 4.06Å; V528-F534 HydrophobicContact CG1-CZ 3.48Å; V528-F534 VanDerWaalsContact CG1-CZ 3.48Å; V528-F534 HydrophobicContact CG2-CD1 4.01Å; V528-F534 HydrophobicContact CG2-CE1 4.27Å; V528-F534 HydrophobicContact CG2-CG 4.34Å; S532-F534 WeakPolarHBondContact O-CD2 3.35Å; F534-S538 WeakPolarHBondContact CA-OG 3.37Å
535	S	91.6	Very high	93.4	Very high	13 Å²	13	25.2 Å²	25.2	9%	0.091	12%	0.117	C	C	.	.			trans	-160.9	170.9	177.3	58.6	0	0	0	0	109.7	D509 K537 S538 D539	D509-S535 VanDerWaalsContact O-CA 3.3Å; D509-S535 WeakPolarHBondContact O-CA 3.39Å; D509-S535 WeakPolarHBondContact O-CB 3.44Å; S535-K537 PolarHBondContact O-N 2.86Å; S535-K537 PolarHBondContact OG-N 2.9Å; S535-S538 PolarHBondContact N-OG 2.94Å; S535-S538 WeakPolarHBondContact O-CB 3.01Å; S535-S538 PolarHBondContact O-N 3.32Å; S535-S538 PolarHBondContact O-OG 2.7Å; S535-S538 PolarHBondContact OG-N 2.83Å; S535-D539 PolarHBondContact O-N 3.44Å
536	S	93.3	Very high	93.5	Very high	4 Å²	4	25.1 Å²	25.1	3%	0.028	12%	0.116	C	C	.	.	H	α-helix	trans	-49.1	-39.3	166.2	67.4	0	0	0	0	111.2	D509 S538 D539 I540	D509-S536 VanDerWaalsContact CG-OG 3.26Å; D509-S536 WeakPolarHBondContact OD1-CA 3.46Å; D509-S536 WeakPolarHBondContact OD1-CB 3.44Å; D509-S536 PolarHBondContact OD1-N 3.49Å; D509-S536 PolarHBondContact OD1-OG 3.35Å; D509-S536 WeakPolarHBondContact OD2-CB 3.49Å; D509-S536 PolarHBondContact OD2-OG 2.97Å; S536-S538 VanDerWaalsContact C-N 3.31Å; S536-S538 PolarHBondContact O-N 3.01Å; S536-D539 CarbonylContact O-C 3.44Å; S536-D539 WeakPolarHBondContact O-CA 2.94Å; S536-D539 WeakPolarHBondContact O-CB 3.46Å; S536-D539 PolarHBondContact O-N 3.39Å; S536-I540 VanDerWaalsContact O-CG1 3.32Å; S536-I540 WeakPolarHBondContact O-CG1 3.2Å; S536-I540 PolarHBondContact O-N 3.08Å
537	K	97.8	Very high	93.8	Very high	43 Å²	43	24.7 Å²	24.7	19%	0.187	11%	0.113	C	C	.	.	H	α-helix	trans	-67.1	-27.9	178.8	-55.8	-57.5	-178.1	172.7	0	113.8	S535 W541 P598 R601 P602	S535-K537 PolarHBondContact O-N 2.86Å; S535-K537 PolarHBondContact OG-N 2.9Å; K537-W541 PolarHBondContact O-N 2.98Å; K537-P598 HydrophobicContact CB-CB 3.8Å; K537-P598 WeakPolarHBondContact CD-O 3.47Å; K537-P598 HydrophobicContact CG-CB 4.29Å; K537-P598 WeakPolarHBondContact CG-O 3.42Å; K537-R601 HydrophobicContact CD-CB 4.33Å; K537-R601 PolarHBondContact NZ-O 2.86Å; K537-R601 WeakPolarHBondContact O-CD 3.46Å; K537-R601 PolarHBondContact O-NH1 2.89Å; K537-P602 PolarHBondContact NZ-O 3.39Å
538	S	97.3	Very high	94	Very high	5 Å²	5	24.5 Å²	24.5	4%	0.035	11%	0.112	C	C	.	.	H	α-helix	trans	-74.4	-32.9	170.5	72.7	0	0	0	0	112.1	F534 S535 S536 W541 A542	F534-S538 WeakPolarHBondContact CA-OG 3.37Å; S535-S538 PolarHBondContact N-OG 2.94Å; S535-S538 WeakPolarHBondContact O-CB 3.01Å; S535-S538 PolarHBondContact O-N 3.32Å; S535-S538 PolarHBondContact O-OG 2.7Å; S535-S538 PolarHBondContact OG-N 2.83Å; S536-S538 VanDerWaalsContact C-N 3.31Å; S536-S538 PolarHBondContact O-N 3.01Å; S538-W541 WeakPolarHBondContact O-CB 3.27Å; S538-W541 PolarHBondContact O-N 3.28Å; S538-A542 PolarHBondContact O-N 3.47Å
539	D	97.8	Very high	94.3	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	-70.3	-33.2	172.1	-75.1	-24.2	0	0	0	111.7	M469 I478 H479 R480 S535 S536 W541 A542 F543 F604	M469-D539 HydrophobicContact CE-CB 3.8Å; I478-D539 VanDerWaalsContact CG2-OD2 3.31Å; I478-D539 WeakPolarHBondContact CG2-OD2 3.12Å; H479-D539 WeakPolarHBondContact CB-OD2 3.36Å; H479-D539 PolarHBondContact N-OD2 2.91Å; R480-D539 PolarHBondContact N-OD1 2.81Å; S535-D539 PolarHBondContact O-N 3.44Å; S536-D539 CarbonylContact O-C 3.44Å; S536-D539 WeakPolarHBondContact O-CA 2.94Å; S536-D539 WeakPolarHBondContact O-CB 3.46Å; S536-D539 PolarHBondContact O-N 3.39Å; D539-W541 VanDerWaalsContact C-N 3.32Å; D539-W541 PolarHBondContact O-N 3.35Å; D539-A542 CarbonylContact O-C 3.39Å; D539-A542 WeakPolarHBondContact O-CB 3.3Å; D539-A542 PolarHBondContact O-N 2.86Å; D539-F543 WeakPolarHBondContact O-CB 3.41Å; D539-F543 PolarHBondContact O-N 3.38Å; D539-F604 HydrophobicContact CB-CE2 3.83Å; D539-F604 HydrophobicContact CB-CZ 4.05Å
540	I	98.6	Very high	94.7	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.7	-43.3	172.4	-67.8	-75.3	0	0	0	110.9	S536 A542 F543 G544 C593 R601 P602 F604 L607	S536-I540 VanDerWaalsContact O-CG1 3.32Å; S536-I540 WeakPolarHBondContact O-CG1 3.2Å; S536-I540 PolarHBondContact O-N 3.08Å; I540-A542 PolarHBondContact O-N 3.43Å; I540-F543 WeakPolarHBondContact O-CB 3.42Å; I540-F543 PolarHBondContact O-N 2.98Å; I540-G544 PolarHBondContact O-N 3.25Å; I540-C593 HydrophobicContact CG2-CB 3.99Å; I540-C593 WeakPolarHBondContact O-CB 3.39Å; I540-R601 HydrophobicContact CG2-CB 3.93Å; I540-P602 WeakPolarHBondContact CD1-O 3.1Å; I540-P602 WeakPolarHBondContact CG1-O 3.32Å; I540-P602 HydrophobicContact CG2-CG 4.16Å; I540-F604 HydrophobicContact CD1-CB 4.3Å; I540-F604 HydrophobicContact CD1-CD1 3.74Å; I540-F604 HydrophobicContact CD1-CD2 3.51Å; I540-F604 HydrophobicContact CD1-CE1 3.85Å; I540-F604 HydrophobicContact CD1-CE2 3.62Å; I540-F604 HydrophobicContact CD1-CG 3.57Å; I540-F604 HydrophobicContact CD1-CZ 3.79Å; I540-F604 HydrophobicContact CG1-CD2 4.09Å; I540-F604 HydrophobicContact CG1-CE2 3.87Å; I540-F604 HydrophobicContact CG1-CZ 4.22Å; I540-L607 HydrophobicContact CD1-CD1 3.58Å; I540-L607 HydrophobicContact CG2-CD1 4.2Å
541	W	98.6	Very high	95.3	Very high	1 Å²	1	16.6 Å²	16.6	0%	0.004	8%	0.076	C	C	.	.	H	α-helix	trans	-59	-48.4	173.6	177.3	-74.3	0	0	0	111.3	W523 S524 A525 P526 K537 S538 D539 F543 G544 V545 L570 W594	W523-W541 VanDerWaalsContact O-CD1 3.32Å; S524-W541 PolarHBondContact O-NE1 2.92Å; A525-W541 HydrophobicContact CB-CB 3.76Å; A525-W541 HydrophobicContact CB-CD2 3.89Å; A525-W541 HydrophobicContact CB-CE3 4.24Å; A525-W541 HydrophobicContact CB-CG 3.66Å; P526-W541 HydrophobicContact CG-CH2 3.74Å; P526-W541 HydrophobicContact CG-CZ2 4.33Å; P526-W541 HydrophobicContact CG-CZ3 3.96Å; K537-W541 PolarHBondContact O-N 2.98Å; S538-W541 WeakPolarHBondContact O-CB 3.27Å; S538-W541 PolarHBondContact O-N 3.28Å; D539-W541 VanDerWaalsContact C-N 3.32Å; D539-W541 PolarHBondContact O-N 3.35Å; W541-F543 VanDerWaalsContact C-N 3.28Å; W541-F543 PolarHBondContact O-N 3.31Å; W541-G544 WeakPolarHBondContact O-CA 3.34Å; W541-G544 PolarHBondContact O-N 3.16Å; W541-G544 VanDerWaalsContact O-N 3.09Å; W541-V545 PolarHBondContact O-N 2.88Å; W541-V545 VanDerWaalsContact O-N 3.13Å; W541-L570 HydrophobicContact CH2-CD2 4.26Å; W541-L570 HydrophobicContact CZ2-CD1 4.39Å; W541-L570 HydrophobicContact CZ2-CD2 3.81Å; W541-W594 AromaticContact CD2-CD1 3.74Å; W541-W594 AromaticContact CE2-CD1 3.9Å; W541-W594 HydrophobicContact CE3-CB 4.17Å; W541-W594 HydrophobicContact CH2-CB 4.28Å; W541-W594 HydrophobicContact CZ3-CB 3.97Å; W541-W594 WeakPolarHBondContact CZ3-O 3.36Å; W541-W594 PolarHBondContact O-NE1 3.47Å
542	A	98.4	Very high	96	Very high	6 Å²	6	12.4 Å²	12.4	5%	0.05	6%	0.062	C	C	.	.	H	α-helix	trans	-61.4	-37.1	178.6	0	0	0	0	0	111.7	L482 S538 D539 I540 V545 L546	L482-A542 HydrophobicContact CB-CB 4.03Å; S538-A542 PolarHBondContact O-N 3.47Å; D539-A542 CarbonylContact O-C 3.39Å; D539-A542 WeakPolarHBondContact O-CB 3.3Å; D539-A542 PolarHBondContact O-N 2.86Å; I540-A542 PolarHBondContact O-N 3.43Å; A542-V545 WeakPolarHBondContact O-CB 3.33Å; A542-V545 PolarHBondContact O-N 2.84Å; A542-L546 PolarHBondContact O-N 3.25Å
543	F	98.8	Very high	96.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.6	-39.8	172.8	-179.9	-108.7	0	0	0	112.2	V465 L482 D539 I540 W541 V545 L546 M547 F604 L607 L611	V465-F543 HydrophobicContact CB-CE2 4.03Å; V465-F543 HydrophobicContact CG1-CD2 3.78Å; V465-F543 HydrophobicContact CG1-CE2 3.71Å; L482-F543 HydrophobicContact CD2-CB 3.73Å; L482-F543 HydrophobicContact CD2-CD2 4.22Å; L482-F543 HydrophobicContact CD2-CG 4.48Å; D539-F543 WeakPolarHBondContact O-CB 3.41Å; D539-F543 PolarHBondContact O-N 3.38Å; I540-F543 WeakPolarHBondContact O-CB 3.42Å; I540-F543 PolarHBondContact O-N 2.98Å; W541-F543 VanDerWaalsContact C-N 3.28Å; W541-F543 PolarHBondContact O-N 3.31Å; F543-V545 VanDerWaalsContact C-N 3.3Å; F543-V545 PolarHBondContact O-N 3.06Å; F543-L546 HydrophobicContact CD2-CD2 4.35Å; F543-L546 HydrophobicContact CE2-CD2 4.38Å; F543-L546 WeakPolarHBondContact O-CB 3.48Å; F543-L546 PolarHBondContact O-N 3.41Å; F543-L546 VanDerWaalsContact O-N 3.16Å; F543-M547 HydrophobicContact CD1-CE 3.79Å; F543-M547 HydrophobicContact CD1-CG 4.27Å; F543-M547 HydrophobicContact CD1-SD 4.22Å; F543-M547 HydrophobicContact CE1-CE 3.64Å; F543-M547 HydrophobicContact CE1-CG 3.83Å; F543-M547 HydrophobicContact CE1-SD 3.53Å; F543-M547 VanDerWaalsContact CE1-SD 3.53Å; F543-M547 HydrophobicContact CE2-CG 4.23Å; F543-M547 HydrophobicContact CZ-CG 3.81Å; F543-M547 HydrophobicContact CZ-SD 3.9Å; F543-M547 WeakPolarHBondContact O-CG 3.43Å; F543-M547 PolarHBondContact O-N 2.79Å; F543-F604 HydrophobicContact CB-CE1 3.69Å; F543-F604 HydrophobicContact CB-CZ 3.96Å; F543-F604 HydrophobicContact CD1-CE1 4.11Å; F543-F604 HydrophobicContact CD2-CE1 4.14Å; F543-F604 AromaticContact CG-CE1 3.72Å; F543-F604 HydrophobicContact CG-CE1 3.72Å; F543-F604 HydrophobicContact CG-CZ 4.47Å; F543-L607 HydrophobicContact CD1-CD1 3.71Å; F543-L607 HydrophobicContact CE1-CD1 3.96Å; F543-L611 HydrophobicContact CE1-CD1 4.01Å; F543-L611 HydrophobicContact CZ-CD1 3.8Å
544	G	98.8	Very high	97.1	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-56.2	-44.4	170.8	0	0	0	0	0	112.4	I540 W541 M547 W548 W594	I540-G544 PolarHBondContact O-N 3.25Å; W541-G544 WeakPolarHBondContact O-CA 3.34Å; W541-G544 PolarHBondContact O-N 3.16Å; W541-G544 VanDerWaalsContact O-N 3.09Å; G544-M547 PolarHBondContact O-N 3.11Å; G544-W548 PolarHBondContact O-N 3.04Å; G544-W548 VanDerWaalsContact O-N 3.1Å; G544-W594 VanDerWaalsContact C-CZ2 3.41Å; G544-W594 VanDerWaalsContact O-CZ2 3.23Å; G544-W594 WeakPolarHBondContact O-CZ2 3.47Å
545	V	98.8	Very high	97.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-65.5	-40.1	175.1	-177.8	0	0	0	0	111.4	W523 W541 A542 F543 W548 E549 P557 L576 W594	W523-V545 VanDerWaalsContact CD1-CG1 3.46Å; W523-V545 HydrophobicContact CD2-CG1 4.46Å; W523-V545 HydrophobicContact CG-CB 4.47Å; W523-V545 HydrophobicContact CG-CG1 4Å; W541-V545 PolarHBondContact O-N 2.88Å; W541-V545 VanDerWaalsContact O-N 3.13Å; A542-V545 WeakPolarHBondContact O-CB 3.33Å; A542-V545 PolarHBondContact O-N 2.84Å; F543-V545 VanDerWaalsContact C-N 3.3Å; F543-V545 PolarHBondContact O-N 3.06Å; V545-W548 CarbonylContact O-C 3.59Å; V545-W548 WeakPolarHBondContact O-CA 3.4Å; V545-W548 VanDerWaalsContact O-CB 3.3Å; V545-W548 WeakPolarHBondContact O-CB 3.37Å; V545-W548 PolarHBondContact O-N 3.02Å; V545-W548 VanDerWaalsContact O-N 3.13Å; V545-E549 WeakPolarHBondContact O-CG 3.16Å; V545-E549 PolarHBondContact O-N 2.84Å; V545-P557 HydrophobicContact CG1-CB 3.92Å; V545-P557 HydrophobicContact CG1-CG 3.46Å; V545-P557 VanDerWaalsContact CG1-CG 3.46Å; V545-L576 HydrophobicContact CG1-CD1 4.13Å; V545-L576 HydrophobicContact CG2-CD1 4.27Å; V545-W594 HydrophobicContact CG2-CZ2 4.4Å
546	L	98.7	Very high	97.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.5	-43.4	175.9	-178.9	157.2	0	0	0	112	V465 L482 A542 F543 W548 E549 I550	V465-L546 HydrophobicContact CB-CD2 4.48Å; V465-L546 HydrophobicContact CG1-CD1 3.97Å; V465-L546 HydrophobicContact CG1-CD2 4.17Å; V465-L546 HydrophobicContact CG2-CD2 4.34Å; L482-L546 HydrophobicContact CD1-CD1 3.83Å; L482-L546 HydrophobicContact CG-CD1 3.9Å; A542-L546 PolarHBondContact O-N 3.25Å; F543-L546 HydrophobicContact CD2-CD2 4.35Å; F543-L546 HydrophobicContact CE2-CD2 4.38Å; F543-L546 WeakPolarHBondContact O-CB 3.48Å; F543-L546 PolarHBondContact O-N 3.41Å; F543-L546 VanDerWaalsContact O-N 3.16Å; L546-W548 PolarHBondContact O-N 3.32Å; L546-E549 WeakPolarHBondContact O-CB 3.43Å; L546-E549 PolarHBondContact O-N 3.04Å; L546-E549 VanDerWaalsContact O-N 3.09Å; L546-I550 HydrophobicContact CD2-CD1 3.48Å; L546-I550 VanDerWaalsContact CD2-CD1 3.48Å; L546-I550 HydrophobicContact CD2-CG1 4.17Å; L546-I550 WeakPolarHBondContact O-CG1 3.49Å; L546-I550 PolarHBondContact O-N 3.16Å
547	M	98.8	Very high	97.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-58.9	-41	172.9	-68.8	-167.6	-76.7	0	0	110.5	C462 F543 G544 E549 I550 Y551 L589 M590 L611	C462-M547 HydrophobicContact CB-CG 4.45Å; F543-M547 HydrophobicContact CD1-CE 3.79Å; F543-M547 HydrophobicContact CD1-CG 4.27Å; F543-M547 HydrophobicContact CD1-SD 4.22Å; F543-M547 HydrophobicContact CE1-CE 3.64Å; F543-M547 HydrophobicContact CE1-CG 3.83Å; F543-M547 HydrophobicContact CE1-SD 3.53Å; F543-M547 VanDerWaalsContact CE1-SD 3.53Å; F543-M547 HydrophobicContact CE2-CG 4.23Å; F543-M547 HydrophobicContact CZ-CG 3.81Å; F543-M547 HydrophobicContact CZ-SD 3.9Å; F543-M547 WeakPolarHBondContact O-CG 3.43Å; F543-M547 PolarHBondContact O-N 2.79Å; G544-M547 PolarHBondContact O-N 3.11Å; M547-E549 VanDerWaalsContact C-N 3.34Å; M547-E549 PolarHBondContact O-N 3.28Å; M547-I550 PolarHBondContact O-N 2.68Å; M547-Y551 WeakPolarHBondContact O-CD2 3.06Å; M547-Y551 PolarHBondContact O-N 3.47Å; M547-L589 HydrophobicContact CE-CB 4.49Å; M547-M590 HydrophobicContact CB-CE 3.78Å; M547-M590 HydrophobicContact CB-CG 3.99Å; M547-M590 HydrophobicContact CB-SD 4.35Å; M547-M590 HydrophobicContact CE-CB 4.47Å; M547-M590 HydrophobicContact CE-CG 3.95Å; M547-M590 HydrophobicContact SD-CG 4.49Å; M547-L611 HydrophobicContact SD-CD2 4.31Å
548	W	98.7	Very high	97.6	Very high	18 Å²	18	15.4 Å²	15.4	7%	0.068	7%	0.072	C	C	.	.	H	α-helix	trans	-62.2	-39.4	174.1	-174.9	96.3	0	0	0	112.6	G544 V545 L546 N552 R555 P557 L576 L577 P579 M590 W594	G544-W548 PolarHBondContact O-N 3.04Å; G544-W548 VanDerWaalsContact O-N 3.1Å; V545-W548 CarbonylContact O-C 3.59Å; V545-W548 WeakPolarHBondContact O-CA 3.4Å; V545-W548 VanDerWaalsContact O-CB 3.3Å; V545-W548 WeakPolarHBondContact O-CB 3.37Å; V545-W548 PolarHBondContact O-N 3.02Å; V545-W548 VanDerWaalsContact O-N 3.13Å; L546-W548 PolarHBondContact O-N 3.32Å; W548-N552 HydrophobicContact CE3-CB 4.37Å; W548-N552 HydrophobicContact CH2-CB 4.25Å; W548-N552 HydrophobicContact CZ2-CB 4.44Å; W548-N552 WeakPolarHBondContact CZ2-ND2 3.3Å; W548-N552 HydrophobicContact CZ3-CB 4.21Å; W548-N552 PolarHBondContact NE1-ND2 3.1Å; W548-N552 VanDerWaalsContact NE1-ND2 3.17Å; W548-N552 WeakPolarHBondContact O-CB 3.23Å; W548-N552 PolarHBondContact O-N 2.89Å; W548-N552 PolarHBondContact O-ND2 2.95Å; W548-R555 HydrophobicContact CH2-CB 4.24Å; W548-R555 HydrophobicContact CH2-CG 4.28Å; W548-R555 HydrophobicContact CZ3-CB 4.24Å; W548-R555 WeakPolarHBondContact CZ3-O 3.38Å; W548-P557 HydrophobicContact CE3-CB 4.47Å; W548-P557 HydrophobicContact CE3-CG 4.23Å; W548-P557 HydrophobicContact CZ3-CB 4.31Å; W548-P557 HydrophobicContact CZ3-CG 4.21Å; W548-L576 HydrophobicContact CB-CD1 4.05Å; W548-L576 HydrophobicContact CD2-CB 4.37Å; W548-L576 HydrophobicContact CD2-CD1 3.81Å; W548-L576 HydrophobicContact CD2-CD2 4.25Å; W548-L576 HydrophobicContact CD2-CG 4.36Å; W548-L576 HydrophobicContact CE3-CD1 4.21Å; W548-L576 HydrophobicContact CG-CB 4.08Å; W548-L576 HydrophobicContact CG-CD1 3.73Å; W548-L576 HydrophobicContact CG-CG 4.39Å; W548-L576 HydrophobicContact CH2-CD2 4.47Å; W548-L576 HydrophobicContact CZ2-CD2 4.09Å; W548-L577 PolarHBondContact NE1-O 3.31Å; W548-P579 HydrophobicContact CG-CG 4.26Å; W548-M590 HydrophobicContact CB-SD 4.16Å; W548-W594 HydrophobicContact CB-CH2 4.14Å; W548-W594 HydrophobicContact CB-CZ2 4.18Å; W548-W594 HydrophobicContact CG-CH2 4.45Å
549	E	98.6	Very high	97.3	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.019	9%	0.087	C	C	.	.	H	α-helix	trans	-61.4	-46.1	173.9	-68.2	-179.2	95.7	0	0	111.5	A484 W523 V545 L546 M547 N552 E553 G554 P557	A484-E549 HydrophobicContact CB-CB 4.11Å; A484-E549 PolarHBondContact N-OE2 3.47Å; W523-E549 WeakPolarHBondContact CZ2-OE1 3.4Å; W523-E549 VanDerWaalsContact NE1-CD 3.34Å; W523-E549 PolarHBondContact NE1-OE2 2.73Å; V545-E549 WeakPolarHBondContact O-CG 3.16Å; V545-E549 PolarHBondContact O-N 2.84Å; L546-E549 WeakPolarHBondContact O-CB 3.43Å; L546-E549 PolarHBondContact O-N 3.04Å; L546-E549 VanDerWaalsContact O-N 3.09Å; M547-E549 VanDerWaalsContact C-N 3.34Å; M547-E549 PolarHBondContact O-N 3.28Å; E549-N552 CarbonylContact O-C 3.52Å; E549-N552 PolarHBondContact O-N 3.02Å; E549-E553 PolarHBondContact O-N 3.34Å; E549-G554 PolarHBondContact O-N 3.44Å; E549-P557 HydrophobicContact CG-CG 4.01Å
550	I	98.6	Very high	97	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-57.3	-52.9	178	-69.2	171.8	0	0	0	110.3	L442 L446 M458 M461 L546 M547 N552 E553	L442-I550 HydrophobicContact CD2-CD1 4.13Å; L442-I550 HydrophobicContact CD2-CG1 4.04Å; L446-I550 HydrophobicContact CD1-CG1 4.16Å; L446-I550 HydrophobicContact CD2-CG2 4.47Å; M458-I550 HydrophobicContact CB-CG2 3.68Å; M458-I550 HydrophobicContact CG-CG2 3.88Å; M461-I550 HydrophobicContact CB-CD1 3.98Å; L546-I550 HydrophobicContact CD2-CD1 3.48Å; L546-I550 VanDerWaalsContact CD2-CD1 3.48Å; L546-I550 HydrophobicContact CD2-CG1 4.17Å; L546-I550 WeakPolarHBondContact O-CG1 3.49Å; L546-I550 PolarHBondContact O-N 3.16Å; M547-I550 PolarHBondContact O-N 2.68Å; I550-N552 VanDerWaalsContact C-N 3.26Å; I550-N552 PolarHBondContact O-N 3.29Å; I550-E553 PolarHBondContact O-N 2.72Å
551	Y	98.4	Very high	96.8	Very high	4 Å²	4	30 Å²	30	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-77.3	-7.7	-177.1	-78.3	-83.5	0	0	0	114.4	M458 M547 P579 L581 A582 V586 M590	M458-Y551 HydrophobicContact CB-CD1 4.38Å; M458-Y551 HydrophobicContact CB-CE1 3.99Å; M458-Y551 HydrophobicContact CB-CE2 4.35Å; M458-Y551 HydrophobicContact SD-CD1 3.74Å; M458-Y551 HydrophobicContact SD-CE1 4.12Å; M458-Y551 HydrophobicContact SD-CG 4.3Å; M547-Y551 WeakPolarHBondContact O-CD2 3.06Å; M547-Y551 PolarHBondContact O-N 3.47Å; Y551-P579 WeakPolarHBondContact O-CB 3.43Å; Y551-L581 HydrophobicContact CD1-CB 4.29Å; Y551-L581 WeakPolarHBondContact CD1-O 3.34Å; Y551-A582 VanDerWaalsContact CD1-CA 3.44Å; Y551-A582 HydrophobicContact CD1-CB 3.88Å; Y551-A582 HydrophobicContact CE1-CB 4.48Å; Y551-A582 HydrophobicContact CG-CB 3.93Å; Y551-V586 HydrophobicContact CD2-CG1 4.1Å; Y551-V586 HydrophobicContact CE2-CG1 3.53Å; Y551-M590 HydrophobicContact CD2-CE 3.66Å; Y551-M590 HydrophobicContact CE2-CE 4.39Å; Y551-M590 HydrophobicContact CG-CE 4.18Å
552	N	96.8	Very high	96.6	Very high	33 Å²	33	33.9 Å²	33.9	18%	0.176	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	17.2	165.2	-75.7	-85.2	0	0	0	112.8	W548 E549 I550 G554 R555 P579	W548-N552 HydrophobicContact CE3-CB 4.37Å; W548-N552 HydrophobicContact CH2-CB 4.25Å; W548-N552 HydrophobicContact CZ2-CB 4.44Å; W548-N552 WeakPolarHBondContact CZ2-ND2 3.3Å; W548-N552 HydrophobicContact CZ3-CB 4.21Å; W548-N552 PolarHBondContact NE1-ND2 3.1Å; W548-N552 VanDerWaalsContact NE1-ND2 3.17Å; W548-N552 WeakPolarHBondContact O-CB 3.23Å; W548-N552 PolarHBondContact O-N 2.89Å; W548-N552 PolarHBondContact O-ND2 2.95Å; E549-N552 CarbonylContact O-C 3.52Å; E549-N552 PolarHBondContact O-N 3.02Å; I550-N552 VanDerWaalsContact C-N 3.26Å; I550-N552 PolarHBondContact O-N 3.29Å; N552-G554 VanDerWaalsContact C-N 3.29Å; N552-G554 PolarHBondContact O-N 3.09Å; N552-R555 HydrophobicContact CB-CB 3.81Å; N552-R555 WeakPolarHBondContact O-CB 3.35Å; N552-R555 PolarHBondContact O-N 2.93Å; N552-P579 VanDerWaalsContact ND2-CB 3.26Å; N552-P579 WeakPolarHBondContact ND2-CB 3.47Å; N552-P579 WeakPolarHBondContact ND2-CG 3.3Å
553	E	96.8	Very high	96.4	Very high	23 Å²	23	37.6 Å²	37.6	11%	0.107	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	43.5	172.6	-51.7	-177.2	107.6	0	0	112.6	L446 K450 G451 M458 E549 I550 L581	L446-E553 CarbonylContact C-O 3.59Å; K450-E553 HydrophobicContact CB-CB 4.48Å; K450-E553 HydrophobicContact CG-CB 4.08Å; K450-E553 WeakPolarHBondContact CG-OE2 3.45Å; G451-E553 PolarHBondContact N-OE1 3.19Å; M458-E553 HydrophobicContact CE-CG 3.89Å; E549-E553 PolarHBondContact O-N 3.34Å; I550-E553 PolarHBondContact O-N 2.72Å; E553-L581 HydrophobicContact CG-CD1 3.73Å
554	G	95.6	Very high	96.1	Very high	6 Å²	6	41.1 Å²	41.1	6%	0.062	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	18.6	174.6	0	0	0	0	0	114.7	E549 N552	E549-G554 PolarHBondContact O-N 3.44Å; N552-G554 VanDerWaalsContact C-N 3.29Å; N552-G554 PolarHBondContact O-N 3.09Å
555	R	95.6	Very high	95.9	Very high	115 Å²	115	45 Å²	45	43%	0.434	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-62.9	144.9	171.6	-165.3	175.3	-172.3	-176.4	1.5	110.9	W548 N552 E559	W548-R555 HydrophobicContact CH2-CB 4.24Å; W548-R555 HydrophobicContact CH2-CG 4.28Å; W548-R555 HydrophobicContact CZ3-CB 4.24Å; W548-R555 WeakPolarHBondContact CZ3-O 3.38Å; N552-R555 HydrophobicContact CB-CB 3.81Å; N552-R555 WeakPolarHBondContact O-CB 3.35Å; N552-R555 PolarHBondContact O-N 2.93Å; R555-E559 WeakPolarHBondContact CG-OE2 3.32Å; R555-E559 IonicContact CZ-OE1 3.49Å; R555-E559 VanDerWaalsContact CZ-OE1 3.27Å; R555-E559 IonicContact CZ-OE2 3.64Å; R555-E559 IonicContact NE-OE1 3.43Å; R555-E559 PolarHBondContact NE-OE1 3.13Å; R555-E559 VanDerWaalsContact NE-OE1 3.13Å; R555-E559 IonicContact NE-OE2 2.8Å; R555-E559 PolarHBondContact NE-OE2 3.37Å; R555-E559 IonicContact NH2-OE1 2.69Å; R555-E559 PolarHBondContact NH2-OE1 2.77Å; R555-E559 IonicContact NH2-OE2 2.63Å
556	L	94.4	Very high	95.7	Very high	82 Å²	82	45 Å²	45	43%	0.429	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-71.3	128.6	176.9	-176	70.2	0	0	0	110.2	W523 Y558 E559	W523-L556 HydrophobicContact CH2-CD1 3.59Å; W523-L556 HydrophobicContact CZ2-CD1 4.4Å; W523-L556 HydrophobicContact CZ3-CD1 4.38Å; L556-Y558 PolarHBondContact O-N 3Å; L556-E559 HydrophobicContact CB-CB 4.05Å; L556-E559 HydrophobicContact CD2-CB 4.42Å; L556-E559 WeakPolarHBondContact O-CB 3.37Å; L556-E559 PolarHBondContact O-N 2.91Å
557	P	96.9	Very high	95.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	135.8	174.7	-23.8	33.8	0	0	0	110.9	K522 W523 V545 W548 E549 E559 L576	K522-P557 HydrophobicContact CB-CB 4.46Å; K522-P557 VanDerWaalsContact CD-O 3.31Å; K522-P557 WeakPolarHBondContact CD-O 3.5Å; K522-P557 PolarHBondContact NZ-O 3.48Å; W523-P557 HydrophobicContact CH2-CG 4.38Å; W523-P557 HydrophobicContact CZ2-CG 3.8Å; V545-P557 HydrophobicContact CG1-CB 3.92Å; V545-P557 HydrophobicContact CG1-CG 3.46Å; V545-P557 VanDerWaalsContact CG1-CG 3.46Å; W548-P557 HydrophobicContact CE3-CB 4.47Å; W548-P557 HydrophobicContact CE3-CG 4.23Å; W548-P557 HydrophobicContact CZ3-CB 4.31Å; W548-P557 HydrophobicContact CZ3-CG 4.21Å; E549-P557 HydrophobicContact CG-CG 4.01Å; P557-E559 PolarHBondContact O-N 3.19Å; P557-E559 VanDerWaalsContact O-N 3.14Å; P557-L576 HydrophobicContact CB-CD1 4.24Å; P557-L576 HydrophobicContact CB-CD2 4.32Å
558	Y	95.1	Very high	95.1	Very high	22 Å²	22	53.5 Å²	53.5	9%	0.086	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	49	41.7	-179.3	-45	-79.8	0	0	0	113.2	K522 L556 N560 R561 V566 L570 L576	K522-Y558 HydrophobicContact CB-CD2 4.45Å; K522-Y558 HydrophobicContact CG-CD2 4.44Å; K522-Y558 PolarHBondContact NZ-O 2.78Å; L556-Y558 PolarHBondContact O-N 3Å; Y558-N560 PolarHBondContact O-N 2.92Å; Y558-R561 PolarHBondContact O-N 3.14Å; Y558-V566 HydrophobicContact CD2-CG1 3.92Å; Y558-V566 HydrophobicContact CD2-CG2 4.1Å; Y558-V566 HydrophobicContact CE2-CG1 4.13Å; Y558-V566 HydrophobicContact CG-CG1 4.32Å; Y558-V566 HydrophobicContact CG-CG2 3.85Å; Y558-L570 WeakPolarHBondContact OH-CD2 3.38Å; Y558-L576 HydrophobicContact CD1-CD2 3.76Å; Y558-L576 HydrophobicContact CD2-CD2 4.06Å; Y558-L576 HydrophobicContact CE1-CD2 3.53Å; Y558-L576 HydrophobicContact CE1-CG 3.88Å; Y558-L576 HydrophobicContact CE2-CD1 4.29Å; Y558-L576 HydrophobicContact CE2-CD2 3.86Å; Y558-L576 HydrophobicContact CE2-CG 3.99Å; Y558-L576 HydrophobicContact CG-CD2 4.02Å
559	E	91.1	Very high	94.9	Very high	78 Å²	78	53.2 Å²	53.2	36%	0.364	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-34	-171.2	62	178.6	-153.5	0	0	114.5	R555 L556 P557 R561	R555-E559 WeakPolarHBondContact CG-OE2 3.32Å; R555-E559 IonicContact CZ-OE1 3.49Å; R555-E559 VanDerWaalsContact CZ-OE1 3.27Å; R555-E559 IonicContact CZ-OE2 3.64Å; R555-E559 IonicContact NE-OE1 3.43Å; R555-E559 PolarHBondContact NE-OE1 3.13Å; R555-E559 VanDerWaalsContact NE-OE1 3.13Å; R555-E559 IonicContact NE-OE2 2.8Å; R555-E559 PolarHBondContact NE-OE2 3.37Å; R555-E559 IonicContact NH2-OE1 2.69Å; R555-E559 PolarHBondContact NH2-OE1 2.77Å; R555-E559 IonicContact NH2-OE2 2.63Å; L556-E559 HydrophobicContact CB-CB 4.05Å; L556-E559 HydrophobicContact CD2-CB 4.42Å; L556-E559 WeakPolarHBondContact O-CB 3.37Å; L556-E559 PolarHBondContact O-N 2.91Å; P557-E559 PolarHBondContact O-N 3.19Å; P557-E559 VanDerWaalsContact O-N 3.14Å; E559-R561 VanDerWaalsContact C-N 3.27Å; E559-R561 PolarHBondContact O-N 2.9Å
560	N	91.9	Very high	94.6	Very high	137 Å²	137	53.1 Å²	53.1	73%	0.733	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	15	-178.5	-60	-33.8	0	0	0	113.6	Y558	Y558-N560 PolarHBondContact O-N 2.92Å
561	R	94.1	Very high	94.2	Very high	102 Å²	102	58.2 Å²	58.2	39%	0.385	30%	0.299	S	S	.	.	S	Bend	trans	-129	138	179.2	-64.6	-177.4	-177.3	-96.8	3.6	110.6	K522 Y558 E559 E565 V566 S569	K522-R561 WeakPolarHBondContact CE-O 3.36Å; K522-R561 PolarHBondContact NZ-O 3.19Å; Y558-R561 PolarHBondContact O-N 3.14Å; E559-R561 VanDerWaalsContact C-N 3.27Å; E559-R561 PolarHBondContact O-N 2.9Å; R561-E565 WeakPolarHBondContact CA-OE2 3.23Å; R561-E565 HydrophobicContact CB-CB 4.05Å; R561-E565 HydrophobicContact CG-CB 4.39Å; R561-V566 HydrophobicContact CB-CG2 3.7Å; R561-S569 PolarHBondContact NH1-OG 3.13Å
562	T	95	Very high	94	Very high	81 Å²	81	62.1 Å²	62.1	50%	0.497	33%	0.332	S	S	.	.			trans	-66.4	163	166.1	65.2	0	0	0	0	110.6	A564 E565 V566	T562-A564 VanDerWaalsContact C-N 3.25Å; T562-A564 PolarHBondContact O-N 2.68Å; T562-E565 WeakPolarHBondContact CB-OE2 3.28Å; T562-E565 WeakPolarHBondContact CG2-OE2 3.5Å; T562-E565 PolarHBondContact N-OE2 3.08Å; T562-E565 PolarHBondContact O-N 3.18Å; T562-E565 VanDerWaalsContact OG1-CD 3.31Å; T562-E565 VanDerWaalsContact OG1-CG 3.29Å; T562-E565 WeakPolarHBondContact OG1-CG 3.34Å; T562-E565 PolarHBondContact OG1-N 3.45Å; T562-E565 PolarHBondContact OG1-OE2 3.35Å; T562-V566 WeakPolarHBondContact O-CG2 3.35Å; T562-V566 PolarHBondContact O-N 3.31Å
563	N	92.6	Very high	93.8	Very high	84 Å²	84	62.7 Å²	62.7	45%	0.449	35%	0.346	S	S	.	.	H	α-helix	trans	-58.9	-37.5	177.7	-74.6	-8.7	0	0	0	112.3	V521 V566 V567	V521-N563 HydrophobicContact CB-CB 4.09Å; V521-N563 HydrophobicContact CG1-CB 4.02Å; V521-N563 HydrophobicContact CG2-CB 4.12Å; N563-V566 PolarHBondContact O-N 3.06Å; N563-V567 WeakPolarHBondContact O-CG2 3.49Å; N563-V567 PolarHBondContact O-N 3.2Å
564	A	92.6	Very high	93.6	Very high	74 Å²	74	64.9 Å²	64.9	61%	0.612	36%	0.358	S	S	*	.	H	α-helix	trans	-64	-46.6	177.6	0	0	0	0	0	112	T562 V566 V567 E568	T562-A564 VanDerWaalsContact C-N 3.25Å; T562-A564 PolarHBondContact O-N 2.68Å; A564-V566 VanDerWaalsContact C-N 3.29Å; A564-V566 PolarHBondContact O-N 3.17Å; A564-V567 WeakPolarHBondContact O-CB 3.36Å; A564-V567 PolarHBondContact O-N 3.49Å; A564-E568 PolarHBondContact O-N 2.68Å
565	E	95	Very high	93.7	Very high	81 Å²	81	67 Å²	67	38%	0.379	36%	0.364	S	S	.	.	H	α-helix	trans	-65.4	-32.7	177.4	-68.8	164.4	138.8	0	0	112.2	R561 T562 S569	R561-E565 WeakPolarHBondContact CA-OE2 3.23Å; R561-E565 HydrophobicContact CB-CB 4.05Å; R561-E565 HydrophobicContact CG-CB 4.39Å; T562-E565 WeakPolarHBondContact CB-OE2 3.28Å; T562-E565 WeakPolarHBondContact CG2-OE2 3.5Å; T562-E565 PolarHBondContact N-OE2 3.08Å; T562-E565 PolarHBondContact O-N 3.18Å; T562-E565 VanDerWaalsContact OG1-CD 3.31Å; T562-E565 VanDerWaalsContact OG1-CG 3.29Å; T562-E565 WeakPolarHBondContact OG1-CG 3.34Å; T562-E565 PolarHBondContact OG1-N 3.45Å; T562-E565 PolarHBondContact OG1-OE2 3.35Å; E565-S569 VanDerWaalsContact O-CB 3.29Å; E565-S569 WeakPolarHBondContact O-CB 3.13Å; E565-S569 PolarHBondContact O-N 3.23Å; E565-S569 PolarHBondContact O-OG 3.48Å
566	V	94.1	Very high	93.7	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-64.5	-45.6	173.2	171.5	0	0	0	0	110.5	K522 Y558 R561 T562 N563 A564 E568 S569 L570	K522-V566 HydrophobicContact CG-CG2 4.26Å; Y558-V566 HydrophobicContact CD2-CG1 3.92Å; Y558-V566 HydrophobicContact CD2-CG2 4.1Å; Y558-V566 HydrophobicContact CE2-CG1 4.13Å; Y558-V566 HydrophobicContact CG-CG1 4.32Å; Y558-V566 HydrophobicContact CG-CG2 3.85Å; R561-V566 HydrophobicContact CB-CG2 3.7Å; T562-V566 WeakPolarHBondContact O-CG2 3.35Å; T562-V566 PolarHBondContact O-N 3.31Å; N563-V566 PolarHBondContact O-N 3.06Å; A564-V566 VanDerWaalsContact C-N 3.29Å; A564-V566 PolarHBondContact O-N 3.17Å; V566-E568 VanDerWaalsContact C-N 3.35Å; V566-E568 PolarHBondContact O-N 3.02Å; V566-S569 PolarHBondContact O-N 2.89Å; V566-L570 HydrophobicContact CG1-CD1 3.96Å; V566-L570 HydrophobicContact CG1-CG 4.22Å; V566-L570 WeakPolarHBondContact O-CB 3.39Å; V566-L570 VanDerWaalsContact O-CG 3.31Å; V566-L570 WeakPolarHBondContact O-CG 3.49Å; V566-L570 PolarHBondContact O-N 2.91Å
567	V	93	Very high	93.9	Very high	38 Å²	38	64.6 Å²	64.6	23%	0.23	36%	0.36	C	S	.	.	H	α-helix	trans	-59	-47	176.8	172.4	0	0	0	0	111	V521 I529 N563 A564 S569 L570 N571	V521-V567 HydrophobicContact CG1-CG2 3.78Å; I529-V567 HydrophobicContact CD1-CG2 4.4Å; I529-V567 HydrophobicContact CG2-CB 4.43Å; I529-V567 HydrophobicContact CG2-CG1 3.89Å; I529-V567 HydrophobicContact CG2-CG2 3.68Å; N563-V567 WeakPolarHBondContact O-CG2 3.49Å; N563-V567 PolarHBondContact O-N 3.2Å; A564-V567 WeakPolarHBondContact O-CB 3.36Å; A564-V567 PolarHBondContact O-N 3.49Å; V567-S569 VanDerWaalsContact C-N 3.35Å; V567-S569 PolarHBondContact O-N 3.01Å; V567-L570 PolarHBondContact O-N 2.86Å; V567-N571 WeakPolarHBondContact O-CB 3.32Å; V567-N571 VanDerWaalsContact O-CG 3.27Å; V567-N571 PolarHBondContact O-N 3.44Å; V567-N571 PolarHBondContact O-ND2 3.06Å
568	E	93.4	Very high	93.9	Very high	142 Å²	142	68.2 Å²	68.2	66%	0.664	38%	0.375	S	S	*	.	H	α-helix	trans	-60.1	-45.1	176.6	-174.4	177.6	-170.7	0	0	111.8	A564 V566 L570 N571 A572	A564-E568 PolarHBondContact O-N 2.68Å; V566-E568 VanDerWaalsContact C-N 3.35Å; V566-E568 PolarHBondContact O-N 3.02Å; E568-L570 PolarHBondContact O-N 3.42Å; E568-N571 PolarHBondContact O-N 3.3Å; E568-A572 PolarHBondContact O-N 3.01Å
569	S	93.3	Very high	94	Very high	11 Å²	11	67.2 Å²	67.2	8%	0.077	37%	0.372	C	S	.	.	H	α-helix	trans	-63.3	-43.4	179.3	-58.3	0	0	0	0	112.5	R561 E565 V566 V567 N571 A572 G573 L574	R561-S569 PolarHBondContact NH1-OG 3.13Å; E565-S569 VanDerWaalsContact O-CB 3.29Å; E565-S569 WeakPolarHBondContact O-CB 3.13Å; E565-S569 PolarHBondContact O-N 3.23Å; E565-S569 PolarHBondContact O-OG 3.48Å; V566-S569 PolarHBondContact O-N 2.89Å; V567-S569 VanDerWaalsContact C-N 3.35Å; V567-S569 PolarHBondContact O-N 3.01Å; S569-N571 VanDerWaalsContact C-N 3.34Å; S569-A572 CarbonylContact O-C 3.55Å; S569-A572 PolarHBondContact O-N 3.01Å; S569-G573 PolarHBondContact O-N 3.48Å; S569-L574 WeakPolarHBondContact O-CB 3.34Å; S569-L574 PolarHBondContact O-N 3.49Å
570	L	93.2	Very high	94.1	Very high	3 Å²	3	74.1 Å²	74.1	2%	0.016	39%	0.394	C	S	.	.	H	α-helix	trans	-63.1	-41.9	177.9	-73.6	178.8	0	0	0	111.4	I529 W541 Y558 V566 V567 E568 A572 G573 L574 R575	I529-L570 HydrophobicContact CD1-CD1 3.73Å; W541-L570 HydrophobicContact CH2-CD2 4.26Å; W541-L570 HydrophobicContact CZ2-CD1 4.39Å; W541-L570 HydrophobicContact CZ2-CD2 3.81Å; Y558-L570 WeakPolarHBondContact OH-CD2 3.38Å; V566-L570 HydrophobicContact CG1-CD1 3.96Å; V566-L570 HydrophobicContact CG1-CG 4.22Å; V566-L570 WeakPolarHBondContact O-CB 3.39Å; V566-L570 VanDerWaalsContact O-CG 3.31Å; V566-L570 WeakPolarHBondContact O-CG 3.49Å; V566-L570 PolarHBondContact O-N 2.91Å; V567-L570 PolarHBondContact O-N 2.86Å; E568-L570 PolarHBondContact O-N 3.42Å; L570-A572 VanDerWaalsContact C-N 3.27Å; L570-A572 PolarHBondContact O-N 3.41Å; L570-G573 PolarHBondContact O-N 3.1Å; L570-L574 WeakPolarHBondContact CD2-O 3.38Å; L570-R575 PolarHBondContact O-NH1 3.15Å; L570-R575 VanDerWaalsContact O-NH1 3.14Å
571	N	90.1	Very high	94.3	Very high	106 Å²	106	69.2 Å²	69.2	57%	0.567	37%	0.368	S	S	*	.	H	α-helix	trans	-64.3	-30.8	175.1	-71.8	-27.8	0	0	0	112.5	V567 E568 S569 G573	V567-N571 WeakPolarHBondContact O-CB 3.32Å; V567-N571 VanDerWaalsContact O-CG 3.27Å; V567-N571 PolarHBondContact O-N 3.44Å; V567-N571 PolarHBondContact O-ND2 3.06Å; E568-N571 PolarHBondContact O-N 3.3Å; S569-N571 VanDerWaalsContact C-N 3.34Å; N571-G573 PolarHBondContact O-N 3.33Å
572	A	93	Very high	94.5	Very high	86 Å²	86	64.5 Å²	64.5	71%	0.711	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	2.3	172.5	0	0	0	0	0	113.4	E568 S569 L570	E568-A572 PolarHBondContact O-N 3.01Å; S569-A572 CarbonylContact O-C 3.55Å; S569-A572 PolarHBondContact O-N 3.01Å; L570-A572 VanDerWaalsContact C-N 3.27Å; L570-A572 PolarHBondContact O-N 3.41Å
573	G	92.4	Very high	94.5	Very high	45 Å²	45	62.9 Å²	62.9	46%	0.464	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	4.7	179.8	0	0	0	0	0	114.5	S569 L570 N571 R575	S569-G573 PolarHBondContact O-N 3.48Å; L570-G573 PolarHBondContact O-N 3.1Å; N571-G573 PolarHBondContact O-N 3.33Å; G573-R575 PolarHBondContact O-N 3.07Å
574	L	94.2	Very high	94.7	Very high	70 Å²	70	64.6 Å²	64.6	37%	0.366	35%	0.351	S	S	.	.			trans	-61.8	138.3	174.9	-169.6	74.9	0	0	0	109.5	S569 L570	S569-L574 WeakPolarHBondContact O-CB 3.34Å; S569-L574 PolarHBondContact O-N 3.49Å; L570-L574 WeakPolarHBondContact CD2-O 3.38Å
575	R	96.2	Very high	94.9	Very high	49 Å²	49	63.3 Å²	63.3	19%	0.185	34%	0.341	C	S	.	.			trans	-127.9	165.5	170.4	-60.6	-60.3	-176.7	-98.1	1.7	109.9	L570 G573 L577 W594 E596	L570-R575 PolarHBondContact O-NH1 3.15Å; L570-R575 VanDerWaalsContact O-NH1 3.14Å; G573-R575 PolarHBondContact O-N 3.07Å; R575-L577 PolarHBondContact O-N 2.83Å; R575-W594 HydrophobicContact CB-CE3 4.16Å; R575-W594 HydrophobicContact CG-CB 4.41Å; R575-W594 PolarHBondContact NE-O 3.12Å; R575-W594 PolarHBondContact NH2-O 3.07Å; R575-E596 IonicContact CZ-OE2 2.6Å; R575-E596 IonicContact NH2-OE2 2.68Å; R575-E596 PolarHBondContact NH2-OE2 3Å
576	L	97.1	Very high	95	Very high	8 Å²	8	59.6 Å²	59.6	4%	0.042	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-63.8	133.7	177.3	-70.6	165	0	0	0	110.5	V545 W548 P557 Y558 Y587 W594	V545-L576 HydrophobicContact CG1-CD1 4.13Å; V545-L576 HydrophobicContact CG2-CD1 4.27Å; W548-L576 HydrophobicContact CB-CD1 4.05Å; W548-L576 HydrophobicContact CD2-CB 4.37Å; W548-L576 HydrophobicContact CD2-CD1 3.81Å; W548-L576 HydrophobicContact CD2-CD2 4.25Å; W548-L576 HydrophobicContact CD2-CG 4.36Å; W548-L576 HydrophobicContact CE3-CD1 4.21Å; W548-L576 HydrophobicContact CG-CB 4.08Å; W548-L576 HydrophobicContact CG-CD1 3.73Å; W548-L576 HydrophobicContact CG-CG 4.39Å; W548-L576 HydrophobicContact CH2-CD2 4.47Å; W548-L576 HydrophobicContact CZ2-CD2 4.09Å; P557-L576 HydrophobicContact CB-CD1 4.24Å; P557-L576 HydrophobicContact CB-CD2 4.32Å; Y558-L576 HydrophobicContact CD1-CD2 3.76Å; Y558-L576 HydrophobicContact CD2-CD2 4.06Å; Y558-L576 HydrophobicContact CE1-CD2 3.53Å; Y558-L576 HydrophobicContact CE1-CG 3.88Å; Y558-L576 HydrophobicContact CE2-CD1 4.29Å; Y558-L576 HydrophobicContact CE2-CD2 3.86Å; Y558-L576 HydrophobicContact CE2-CG 3.99Å; Y558-L576 HydrophobicContact CG-CD2 4.02Å; L576-Y587 PolarHBondContact O-OH 2.85Å; L576-W594 HydrophobicContact CB-CH2 3.67Å; L576-W594 HydrophobicContact CB-CZ2 4.25Å; L576-W594 HydrophobicContact CB-CZ3 4.04Å; L576-W594 HydrophobicContact CD1-CH2 4.12Å; L576-W594 HydrophobicContact CD1-CZ2 3.88Å; L576-W594 HydrophobicContact CG-CH2 4.44Å
577	L	96.9	Very high	95.2	Very high	139 Å²	139	61.1 Å²	61.1	73%	0.728	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-68.3	152.1	177.1	-61.9	177.5	0	0	0	111.1	W548 R575 P579	W548-L577 PolarHBondContact NE1-O 3.31Å; R575-L577 PolarHBondContact O-N 2.83Å; L577-P579 WeakPolarHBondContact O-CD 3.15Å
578	K	97.9	Very high	95.5	Very high	76 Å²	76	62.4 Å²	62.4	33%	0.33	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-54.1	123.7	177.3	177.8	174.4	156.8	128.6	0	112.2	A582 P583 N584 Y587	K578-A582 WeakPolarHBondContact CE-O 3.46Å; K578-A582 PolarHBondContact NZ-O 3.48Å; K578-P583 PolarHBondContact NZ-O 2.9Å; K578-N584 VanDerWaalsContact NZ-CA 3.33Å; K578-N584 VanDerWaalsContact NZ-N 3.12Å; K578-N584 PolarHBondContact NZ-OD1 3.32Å; K578-Y587 HydrophobicContact CB-CD1 3.79Å; K578-Y587 HydrophobicContact CB-CD2 3.74Å; K578-Y587 HydrophobicContact CB-CE1 3.78Å; K578-Y587 HydrophobicContact CB-CE2 3.76Å; K578-Y587 HydrophobicContact CB-CG 3.74Å; K578-Y587 HydrophobicContact CD-CD1 4.1Å; K578-Y587 HydrophobicContact CD-CG 4.05Å; K578-Y587 HydrophobicContact CG-CD1 4.08Å; K578-Y587 HydrophobicContact CG-CD2 3.97Å; K578-Y587 HydrophobicContact CG-CE2 4.49Å; K578-Y587 HydrophobicContact CG-CG 3.73Å; K578-Y587 PolarHBondContact N-OH 3.23Å
579	P	96.6	Very high	95.7	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.013	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-61.2	143.2	171	-15.5	25.2	0	0	0	111.6	W548 Y551 N552 L577 L581 A582 M590	W548-P579 HydrophobicContact CG-CG 4.26Å; Y551-P579 WeakPolarHBondContact O-CB 3.43Å; N552-P579 VanDerWaalsContact ND2-CB 3.26Å; N552-P579 WeakPolarHBondContact ND2-CB 3.47Å; N552-P579 WeakPolarHBondContact ND2-CG 3.3Å; L577-P579 WeakPolarHBondContact O-CD 3.15Å; P579-L581 PolarHBondContact O-N 3.44Å; P579-A582 HydrophobicContact CB-CB 3.9Å; P579-A582 HydrophobicContact CG-CB 3.87Å; P579-A582 PolarHBondContact O-N 2.6Å; P579-A582 VanDerWaalsContact O-N 3.11Å; P579-M590 HydrophobicContact CG-CE 4.24Å; P579-M590 HydrophobicContact CG-SD 4.34Å
580	R	94.4	Very high	96	Very high	222 Å²	222	55.8 Å²	55.8	84%	0.838	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-36.6	177.4	-171.6	-176.1	72.9	107.6	0.7	112.6
581	L	95.9	Very high	96.2	Very high	34 Å²	34	60.1 Å²	60.1	18%	0.178	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-10.2	-177.1	-59.6	176.4	0	0	0	113	Q455 M458 Y551 E553 P579 P583	Q455-L581 PolarHBondContact NE2-O 3.35Å; M458-L581 HydrophobicContact CE-CD1 3.62Å; M458-L581 HydrophobicContact SD-CB 4.37Å; M458-L581 HydrophobicContact SD-CD1 4.34Å; Y551-L581 HydrophobicContact CD1-CB 4.29Å; Y551-L581 WeakPolarHBondContact CD1-O 3.34Å; E553-L581 HydrophobicContact CG-CD1 3.73Å; P579-L581 PolarHBondContact O-N 3.44Å; L581-P583 WeakPolarHBondContact O-CD 3.41Å
582	A	96.8	Very high	96.6	Very high	4 Å²	4	59.4 Å²	59.4	3%	0.033	32%	0.318	C	S	.	.	S	Bend	trans	-80	129.2	-177.6	0	0	0	0	0	111.4	Y551 K578 P579 M590	Y551-A582 VanDerWaalsContact CD1-CA 3.44Å; Y551-A582 HydrophobicContact CD1-CB 3.88Å; Y551-A582 HydrophobicContact CE1-CB 4.48Å; Y551-A582 HydrophobicContact CG-CB 3.93Å; K578-A582 WeakPolarHBondContact CE-O 3.46Å; K578-A582 PolarHBondContact NZ-O 3.48Å; P579-A582 HydrophobicContact CB-CB 3.9Å; P579-A582 HydrophobicContact CG-CB 3.87Å; P579-A582 PolarHBondContact O-N 2.6Å; P579-A582 VanDerWaalsContact O-N 3.11Å; A582-M590 HydrophobicContact CB-CE 4.23Å
583	P	96.1	Very high	96.9	Very high	46 Å²	46	55.3 Å²	55.3	30%	0.299	28%	0.284	S	S	.	.			trans	-58	157.6	163.7	-24	34.6	0	0	0	112.1	K578 L581 A585 V586 Y587	K578-P583 PolarHBondContact NZ-O 2.9Å; L581-P583 WeakPolarHBondContact O-CD 3.41Å; P583-A585 VanDerWaalsContact C-N 3.33Å; P583-A585 PolarHBondContact O-N 2.72Å; P583-V586 HydrophobicContact CB-CG2 4.14Å; P583-V586 HydrophobicContact CG-CG2 4.05Å; P583-V586 PolarHBondContact O-N 3.14Å; P583-Y587 PolarHBondContact O-N 2.94Å; P583-Y587 VanDerWaalsContact O-N 3.12Å
584	N	96.9	Very high	97.2	Very high	121 Å²	121	53.5 Å²	53.5	65%	0.647	26%	0.263	S	S	*	.	H	α-helix	trans	-60.4	-45	177.9	-79	-20.2	0	0	0	111.3	K578 V586 Y587 S588	K578-N584 VanDerWaalsContact NZ-CA 3.33Å; K578-N584 VanDerWaalsContact NZ-N 3.12Å; K578-N584 PolarHBondContact NZ-OD1 3.32Å; N584-V586 VanDerWaalsContact C-N 3.33Å; N584-V586 PolarHBondContact O-N 3.49Å; N584-Y587 PolarHBondContact O-N 2.92Å; N584-Y587 VanDerWaalsContact O-N 3.14Å; N584-S588 PolarHBondContact O-N 3.25Å; N584-S588 PolarHBondContact O-OG 3.17Å
585	A	96.8	Very high	97.4	Very high	47 Å²	47	54.9 Å²	54.9	39%	0.388	27%	0.266	S	S	.	.	H	α-helix	trans	-57.8	-44	179.3	0	0	0	0	0	112.5	P583 Y587 S588 L589 L614	P583-A585 VanDerWaalsContact C-N 3.33Å; P583-A585 PolarHBondContact O-N 2.72Å; A585-Y587 PolarHBondContact O-N 3.44Å; A585-S588 WeakPolarHBondContact O-CB 3.43Å; A585-S588 PolarHBondContact O-N 3.26Å; A585-L589 PolarHBondContact O-N 3.46Å; A585-L614 HydrophobicContact CB-CD1 4.03Å; A585-L614 HydrophobicContact CB-CD2 3.61Å
586	V	97.6	Very high	97.3	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-64.7	-41.8	177.1	179.8	0	0	0	0	111.4	Y551 P583 N584 S588 L589 M590 L614	Y551-V586 HydrophobicContact CD2-CG1 4.1Å; Y551-V586 HydrophobicContact CE2-CG1 3.53Å; P583-V586 HydrophobicContact CB-CG2 4.14Å; P583-V586 HydrophobicContact CG-CG2 4.05Å; P583-V586 PolarHBondContact O-N 3.14Å; N584-V586 VanDerWaalsContact C-N 3.33Å; N584-V586 PolarHBondContact O-N 3.49Å; V586-S588 VanDerWaalsContact C-N 3.32Å; V586-S588 PolarHBondContact O-N 2.95Å; V586-L589 WeakPolarHBondContact O-CB 3.36Å; V586-L589 PolarHBondContact O-N 2.83Å; V586-L589 VanDerWaalsContact O-N 3.16Å; V586-M590 HydrophobicContact CG1-CE 3.72Å; V586-M590 WeakPolarHBondContact O-CG 3.34Å; V586-M590 PolarHBondContact O-N 2.88Å; V586-M590 VanDerWaalsContact O-N 3.09Å; V586-L614 HydrophobicContact CG2-CD1 3.75Å
587	Y	98.4	Very high	97.2	Very high	32 Å²	32	62.6 Å²	62.6	13%	0.125	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-37.5	177.1	-174.1	-113.9	0	0	0	112.2	L576 K578 P583 N584 A585 L589 M590 E591 W594	L576-Y587 PolarHBondContact O-OH 2.85Å; K578-Y587 HydrophobicContact CB-CD1 3.79Å; K578-Y587 HydrophobicContact CB-CD2 3.74Å; K578-Y587 HydrophobicContact CB-CE1 3.78Å; K578-Y587 HydrophobicContact CB-CE2 3.76Å; K578-Y587 HydrophobicContact CB-CG 3.74Å; K578-Y587 HydrophobicContact CD-CD1 4.1Å; K578-Y587 HydrophobicContact CD-CG 4.05Å; K578-Y587 HydrophobicContact CG-CD1 4.08Å; K578-Y587 HydrophobicContact CG-CD2 3.97Å; K578-Y587 HydrophobicContact CG-CE2 4.49Å; K578-Y587 HydrophobicContact CG-CG 3.73Å; K578-Y587 PolarHBondContact N-OH 3.23Å; P583-Y587 PolarHBondContact O-N 2.94Å; P583-Y587 VanDerWaalsContact O-N 3.12Å; N584-Y587 PolarHBondContact O-N 2.92Å; N584-Y587 VanDerWaalsContact O-N 3.14Å; A585-Y587 PolarHBondContact O-N 3.44Å; Y587-L589 PolarHBondContact O-N 3.38Å; Y587-M590 HydrophobicContact CD2-CB 4.33Å; Y587-M590 HydrophobicContact CD2-SD 3.92Å; Y587-M590 WeakPolarHBondContact O-CA 3.24Å; Y587-M590 WeakPolarHBondContact O-CB 3.49Å; Y587-M590 PolarHBondContact O-N 2.96Å; Y587-E591 HydrophobicContact CD1-CG 4.11Å; Y587-E591 VanDerWaalsContact CE1-CD 3.43Å; Y587-E591 HydrophobicContact CE1-CG 3.73Å; Y587-E591 HydrophobicContact CE2-CG 4.41Å; Y587-E591 PolarHBondContact O-N 3.21Å; Y587-W594 HydrophobicContact CE2-CZ3 4.06Å
588	S	98.4	Very high	97.1	Very high	66 Å²	66	57.6 Å²	57.6	46%	0.462	28%	0.278	S	S	.	.	H	α-helix	trans	-60.3	-34.8	173.6	-60.2	0	0	0	0	112.5	N584 A585 V586 E591 W592	N584-S588 PolarHBondContact O-N 3.25Å; N584-S588 PolarHBondContact O-OG 3.17Å; A585-S588 WeakPolarHBondContact O-CB 3.43Å; A585-S588 PolarHBondContact O-N 3.26Å; V586-S588 VanDerWaalsContact C-N 3.32Å; V586-S588 PolarHBondContact O-N 2.95Å; S588-E591 PolarHBondContact O-N 3.14Å; S588-W592 PolarHBondContact O-N 3.42Å
589	L	98.4	Very high	96.9	Very high	14 Å²	14	60.3 Å²	60.3	7%	0.073	29%	0.292	C	S	.	.	H	α-helix	trans	-67	-40.5	171.5	-61.3	177.5	0	0	0	111.8	M547 A585 V586 Y587 E591 W592 C593 L607 E610 L611 L614	M547-L589 HydrophobicContact CE-CB 4.49Å; A585-L589 PolarHBondContact O-N 3.46Å; V586-L589 WeakPolarHBondContact O-CB 3.36Å; V586-L589 PolarHBondContact O-N 2.83Å; V586-L589 VanDerWaalsContact O-N 3.16Å; Y587-L589 PolarHBondContact O-N 3.38Å; L589-E591 PolarHBondContact O-N 2.76Å; L589-W592 HydrophobicContact CD2-CE3 4.18Å; L589-W592 PolarHBondContact O-N 3.46Å; L589-C593 PolarHBondContact O-N 3.45Å; L589-C593 PolarHBondContact O-SG 3.23Å; L589-L607 HydrophobicContact CB-CD2 4.42Å; L589-L607 HydrophobicContact CD2-CD2 4.41Å; L589-E610 HydrophobicContact CD1-CB 4.17Å; L589-E610 HydrophobicContact CD2-CB 3.83Å; L589-E610 HydrophobicContact CD2-CG 4.28Å; L589-L611 HydrophobicContact CD1-CD2 3.66Å; L589-L611 HydrophobicContact CD1-CG 3.96Å; L589-L614 HydrophobicContact CD1-CD1 3.98Å
590	M	98.6	Very high	96.9	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-59.5	-45.4	173.5	-57.7	179.3	-167.8	0	0	111.4	M547 W548 Y551 P579 A582 V586 Y587 W592 C593 W594	M547-M590 HydrophobicContact CB-CE 3.78Å; M547-M590 HydrophobicContact CB-CG 3.99Å; M547-M590 HydrophobicContact CB-SD 4.35Å; M547-M590 HydrophobicContact CE-CB 4.47Å; M547-M590 HydrophobicContact CE-CG 3.95Å; M547-M590 HydrophobicContact SD-CG 4.49Å; W548-M590 HydrophobicContact CB-SD 4.16Å; Y551-M590 HydrophobicContact CD2-CE 3.66Å; Y551-M590 HydrophobicContact CE2-CE 4.39Å; Y551-M590 HydrophobicContact CG-CE 4.18Å; P579-M590 HydrophobicContact CG-CE 4.24Å; P579-M590 HydrophobicContact CG-SD 4.34Å; A582-M590 HydrophobicContact CB-CE 4.23Å; V586-M590 HydrophobicContact CG1-CE 3.72Å; V586-M590 WeakPolarHBondContact O-CG 3.34Å; V586-M590 PolarHBondContact O-N 2.88Å; V586-M590 VanDerWaalsContact O-N 3.09Å; Y587-M590 HydrophobicContact CD2-CB 4.33Å; Y587-M590 HydrophobicContact CD2-SD 3.92Å; Y587-M590 WeakPolarHBondContact O-CA 3.24Å; Y587-M590 WeakPolarHBondContact O-CB 3.49Å; Y587-M590 PolarHBondContact O-N 2.96Å; M590-W592 VanDerWaalsContact C-N 3.29Å; M590-W592 PolarHBondContact O-N 2.98Å; M590-C593 WeakPolarHBondContact O-CB 3.49Å; M590-C593 PolarHBondContact O-N 3.38Å; M590-W594 HydrophobicContact CB-CE3 4.32Å; M590-W594 HydrophobicContact CB-CH2 3.7Å; M590-W594 HydrophobicContact CB-CZ2 4.13Å; M590-W594 HydrophobicContact CB-CZ3 3.82Å; M590-W594 HydrophobicContact CG-CH2 4.44Å; M590-W594 PolarHBondContact O-N 3.36Å; M590-W594 HydrophobicContact SD-CH2 4.26Å
591	E	98.4	Very high	97.1	Very high	93 Å²	93	53.8 Å²	53.8	44%	0.435	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-34.4	176.9	-69.4	-176.1	110.5	0	0	112.5	Y587 S588 L589 W594 K595	Y587-E591 HydrophobicContact CD1-CG 4.11Å; Y587-E591 VanDerWaalsContact CE1-CD 3.43Å; Y587-E591 HydrophobicContact CE1-CG 3.73Å; Y587-E591 HydrophobicContact CE2-CG 4.41Å; Y587-E591 PolarHBondContact O-N 3.21Å; S588-E591 PolarHBondContact O-N 3.14Å; L589-E591 PolarHBondContact O-N 2.76Å; E591-W594 PolarHBondContact O-N 2.99Å; E591-K595 PolarHBondContact O-N 3.14Å
592	W	98.5	Very high	97.1	Very high	91 Å²	91	52.5 Å²	52.5	35%	0.345	27%	0.267	S	S	.	.	H	α-helix	trans	-67.1	-37.4	174.3	-165.9	13.1	0	0	0	112.2	S588 L589 M590 W594 K595 D600 P602 V606 E610	S588-W592 PolarHBondContact O-N 3.42Å; L589-W592 HydrophobicContact CD2-CE3 4.18Å; L589-W592 PolarHBondContact O-N 3.46Å; M590-W592 VanDerWaalsContact C-N 3.29Å; M590-W592 PolarHBondContact O-N 2.98Å; W592-W594 PolarHBondContact O-N 3.29Å; W592-K595 WeakPolarHBondContact O-CG 3.35Å; W592-D600 PolarHBondContact NE1-O 3.41Å; W592-P602 HydrophobicContact CD2-CB 3.98Å; W592-P602 HydrophobicContact CD2-CG 3.77Å; W592-P602 HydrophobicContact CE3-CB 4Å; W592-P602 HydrophobicContact CE3-CG 3.94Å; W592-P602 HydrophobicContact CG-CG 4.12Å; W592-P602 HydrophobicContact CH2-CB 3.86Å; W592-P602 HydrophobicContact CZ2-CB 3.8Å; W592-P602 HydrophobicContact CZ2-CG 4.48Å; W592-P602 HydrophobicContact CZ3-CB 3.94Å; W592-P602 HydrophobicContact CZ3-CG 4.38Å; W592-V606 HydrophobicContact CH2-CG1 3.61Å; W592-V606 HydrophobicContact CZ3-CG1 3.89Å; W592-E610 HydrophobicContact CZ3-CG 4.35Å
593	C	98.7	Very high	97.1	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-27.3	171.5	-64.7	0	0	0	0	113.1	I540 L589 M590 R601	I540-C593 HydrophobicContact CG2-CB 3.99Å; I540-C593 WeakPolarHBondContact O-CB 3.39Å; L589-C593 PolarHBondContact O-N 3.45Å; L589-C593 PolarHBondContact O-SG 3.23Å; M590-C593 WeakPolarHBondContact O-CB 3.49Å; M590-C593 PolarHBondContact O-N 3.38Å; C593-R601 VanDerWaalsContact O-CD 3.3Å; C593-R601 WeakPolarHBondContact O-CD 3.26Å
594	W	98.4	Very high	97.2	Very high	7 Å²	7	51.8 Å²	51.8	3%	0.027	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	20.3	-175.4	-56.2	-37	0	0	0	115.1	W541 G544 V545 W548 R575 L576 Y587 M590 E591 W592 E596	W541-W594 AromaticContact CD2-CD1 3.74Å; W541-W594 AromaticContact CE2-CD1 3.9Å; W541-W594 HydrophobicContact CE3-CB 4.17Å; W541-W594 HydrophobicContact CH2-CB 4.28Å; W541-W594 HydrophobicContact CZ3-CB 3.97Å; W541-W594 WeakPolarHBondContact CZ3-O 3.36Å; W541-W594 PolarHBondContact O-NE1 3.47Å; G544-W594 VanDerWaalsContact C-CZ2 3.41Å; G544-W594 VanDerWaalsContact O-CZ2 3.23Å; G544-W594 WeakPolarHBondContact O-CZ2 3.47Å; V545-W594 HydrophobicContact CG2-CZ2 4.4Å; W548-W594 HydrophobicContact CB-CH2 4.14Å; W548-W594 HydrophobicContact CB-CZ2 4.18Å; W548-W594 HydrophobicContact CG-CH2 4.45Å; R575-W594 HydrophobicContact CB-CE3 4.16Å; R575-W594 HydrophobicContact CG-CB 4.41Å; R575-W594 PolarHBondContact NE-O 3.12Å; R575-W594 PolarHBondContact NH2-O 3.07Å; L576-W594 HydrophobicContact CB-CH2 3.67Å; L576-W594 HydrophobicContact CB-CZ2 4.25Å; L576-W594 HydrophobicContact CB-CZ3 4.04Å; L576-W594 HydrophobicContact CD1-CH2 4.12Å; L576-W594 HydrophobicContact CD1-CZ2 3.88Å; L576-W594 HydrophobicContact CG-CH2 4.44Å; Y587-W594 HydrophobicContact CE2-CZ3 4.06Å; M590-W594 HydrophobicContact CB-CE3 4.32Å; M590-W594 HydrophobicContact CB-CH2 3.7Å; M590-W594 HydrophobicContact CB-CZ2 4.13Å; M590-W594 HydrophobicContact CB-CZ3 3.82Å; M590-W594 HydrophobicContact CG-CH2 4.44Å; M590-W594 PolarHBondContact O-N 3.36Å; M590-W594 HydrophobicContact SD-CH2 4.26Å; E591-W594 PolarHBondContact O-N 2.99Å; W592-W594 PolarHBondContact O-N 3.29Å; W594-E596 PolarHBondContact O-N 3.33Å
595	K	98.1	Very high	96.9	Very high	100 Å²	100	48.8 Å²	48.8	44%	0.435	26%	0.255	S	S	.	.			trans	-57.4	138.5	169	-65.9	-66.2	-179.4	-175.9	0	110.2	E591 W592 D600 R601	E591-K595 PolarHBondContact O-N 3.14Å; W592-K595 WeakPolarHBondContact O-CG 3.35Å; K595-D600 HydrophobicContact CB-CB 3.81Å; K595-D600 HydrophobicContact CG-CB 4.08Å; K595-R601 HydrophobicContact CB-CG 4.01Å; K595-R601 PolarHBondContact O-NE 2.96Å; K595-R601 PolarHBondContact O-NH2 3.13Å
596	E	94.6	Very high	96.7	Very high	101 Å²	101	49.2 Å²	49.2	47%	0.472	25%	0.253	S	S	.	.	S	Bend	trans	-58.9	-51.1	-176.5	-174.3	63.5	-156.7	0	0	110.8	R575 W594 R601	R575-E596 IonicContact CZ-OE2 2.6Å; R575-E596 IonicContact NH2-OE2 2.68Å; R575-E596 PolarHBondContact NH2-OE2 3Å; W594-E596 PolarHBondContact O-N 3.33Å; E596-R601 PolarHBondContact O-NH2 2.97Å; E596-R601 VanDerWaalsContact O-NH2 3.12Å
597	K	94.2	Very high	96.6	Very high	118 Å²	118	49.1 Å²	49.1	51%	0.513	25%	0.252	S	S	.	.	S	Bend	trans	-77.4	128.6	177.1	-64.4	-176.3	179.4	-178.3	0	110.9	E599 D600	K597-E599 VanDerWaalsContact C-N 3.26Å; K597-E599 HydrophobicContact CB-CG 4.17Å; K597-E599 PolarHBondContact O-N 2.79Å; K597-D600 HydrophobicContact CB-CB 4.39Å; K597-D600 WeakPolarHBondContact CB-OD2 3.31Å; K597-D600 PolarHBondContact O-N 3.31Å
598	P	95.3	Very high	96.5	Very high	34 Å²	34	49.9 Å²	49.9	22%	0.221	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-55.9	-37.9	178	-27.5	35.9	0	0	0	114.1	E527 K537 D600 R601	E527-P598 HydrophobicContact CG-CG 4.06Å; K537-P598 HydrophobicContact CB-CB 3.8Å; K537-P598 WeakPolarHBondContact CD-O 3.47Å; K537-P598 HydrophobicContact CG-CB 4.29Å; K537-P598 WeakPolarHBondContact CG-O 3.42Å; P598-D600 VanDerWaalsContact C-N 3.26Å; P598-D600 PolarHBondContact O-N 3.13Å; P598-R601 WeakPolarHBondContact O-CB 3.45Å; P598-R601 PolarHBondContact O-N 3.14Å; P598-R601 VanDerWaalsContact O-N 3.17Å
599	E	93.4	Very high	96.1	Very high	132 Å²	132	52.7 Å²	52.7	62%	0.617	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-66.3	-23.7	-179.5	57.6	-91.1	-150.7	0	0	114	K597 R601	K597-E599 VanDerWaalsContact C-N 3.26Å; K597-E599 HydrophobicContact CB-CG 4.17Å; K597-E599 PolarHBondContact O-N 2.79Å; E599-R601 VanDerWaalsContact C-N 3.27Å
600	D	96.5	Very high	95.9	Very high	84 Å²	84	55.7 Å²	55.7	45%	0.449	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-82	-8.6	177.4	-67	-25.8	0	0	0	112.3	W592 K595 K597 P598	W592-D600 PolarHBondContact NE1-O 3.41Å; K595-D600 HydrophobicContact CB-CB 3.81Å; K595-D600 HydrophobicContact CG-CB 4.08Å; K597-D600 HydrophobicContact CB-CB 4.39Å; K597-D600 WeakPolarHBondContact CB-OD2 3.31Å; K597-D600 PolarHBondContact O-N 3.31Å; P598-D600 VanDerWaalsContact C-N 3.26Å; P598-D600 PolarHBondContact O-N 3.13Å
601	R	98.3	Very high	95.6	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.015	28%	0.277	C	S	.	.	S	Bend	trans	-84.1	145.5	178.6	-55.9	174.9	-164	153.3	10.1	110.3	E527 K537 I540 C593 K595 E596 P598 E599	E527-R601 IonicContact OE1-CZ 2.69Å; E527-R601 IonicContact OE1-NH1 3.7Å; E527-R601 PolarHBondContact OE1-NH1 3.06Å; E527-R601 IonicContact OE1-NH2 3.07Å; E527-R601 PolarHBondContact OE1-NH2 3.32Å; E527-R601 IonicContact OE2-CZ 3.54Å; E527-R601 IonicContact OE2-NH1 2.71Å; E527-R601 IonicContact OE2-NH2 3.04Å; E527-R601 PolarHBondContact OE2-NH2 3Å; K537-R601 HydrophobicContact CD-CB 4.33Å; K537-R601 PolarHBondContact NZ-O 2.86Å; K537-R601 WeakPolarHBondContact O-CD 3.46Å; K537-R601 PolarHBondContact O-NH1 2.89Å; I540-R601 HydrophobicContact CG2-CB 3.93Å; C593-R601 VanDerWaalsContact O-CD 3.3Å; C593-R601 WeakPolarHBondContact O-CD 3.26Å; K595-R601 HydrophobicContact CB-CG 4.01Å; K595-R601 PolarHBondContact O-NE 2.96Å; K595-R601 PolarHBondContact O-NH2 3.13Å; E596-R601 PolarHBondContact O-NH2 2.97Å; E596-R601 VanDerWaalsContact O-NH2 3.12Å; P598-R601 WeakPolarHBondContact O-CB 3.45Å; P598-R601 PolarHBondContact O-N 3.14Å; P598-R601 VanDerWaalsContact O-N 3.17Å; E599-R601 VanDerWaalsContact C-N 3.27Å
602	P	97.5	Very high	95.3	Very high	6 Å²	6	53 Å²	53	4%	0.039	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-66.5	168.5	179.9	28.9	-34	0	0	0	111.9	K537 I540 W592 V606 L607	K537-P602 PolarHBondContact NZ-O 3.39Å; I540-P602 WeakPolarHBondContact CD1-O 3.1Å; I540-P602 WeakPolarHBondContact CG1-O 3.32Å; I540-P602 HydrophobicContact CG2-CG 4.16Å; W592-P602 HydrophobicContact CD2-CB 3.98Å; W592-P602 HydrophobicContact CD2-CG 3.77Å; W592-P602 HydrophobicContact CE3-CB 4Å; W592-P602 HydrophobicContact CE3-CG 3.94Å; W592-P602 HydrophobicContact CG-CG 4.12Å; W592-P602 HydrophobicContact CH2-CB 3.86Å; W592-P602 HydrophobicContact CZ2-CB 3.8Å; W592-P602 HydrophobicContact CZ2-CG 4.48Å; W592-P602 HydrophobicContact CZ3-CB 3.94Å; W592-P602 HydrophobicContact CZ3-CG 4.38Å; P602-V606 HydrophobicContact CB-CB 4.3Å; P602-V606 HydrophobicContact CB-CG1 4.14Å; P602-L607 HydrophobicContact CB-CD2 4.3Å; P602-L607 HydrophobicContact CB-CG 3.99Å; P602-L607 HydrophobicContact CG-CD1 3.87Å; P602-L607 HydrophobicContact CG-CD2 3.61Å; P602-L607 HydrophobicContact CG-CG 3.53Å
603	S	96.4	Very high	94.9	Very high	35 Å²	35	50.7 Å²	50.7	25%	0.245	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-85.1	164.5	162.3	62.4	0	0	0	0	110.2	E473 A605 V606 L607	E473-S603 WeakPolarHBondContact OE1-CA 3.49Å; E473-S603 WeakPolarHBondContact OE1-CB 3.31Å; S603-A605 VanDerWaalsContact C-N 3.28Å; S603-A605 PolarHBondContact O-N 3.41Å; S603-V606 PolarHBondContact O-N 2.87Å; S603-V606 WeakPolarHBondContact OG-CG2 3.36Å; S603-V606 PolarHBondContact OG-N 2.67Å; S603-L607 PolarHBondContact O-N 3Å
604	F	97	Very high	94.4	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-65.5	-35.3	176.7	-83.9	-72	0	0	0	111.5	M469 A470 E473 L482 D539 I540 F543 V606 L607 L608	M469-F604 HydrophobicContact CB-CD1 3.38Å; M469-F604 HydrophobicContact CB-CD2 3.92Å; M469-F604 HydrophobicContact CB-CE1 3.32Å; M469-F604 HydrophobicContact CB-CE2 3.87Å; M469-F604 HydrophobicContact CB-CG 3.68Å; M469-F604 HydrophobicContact CB-CZ 3.58Å; M469-F604 HydrophobicContact CE-CE2 3.66Å; M469-F604 HydrophobicContact CE-CZ 3.65Å; M469-F604 HydrophobicContact CG-CD1 4.33Å; M469-F604 HydrophobicContact CG-CE1 3.78Å; M469-F604 HydrophobicContact CG-CE2 4.47Å; M469-F604 HydrophobicContact CG-CZ 3.86Å; A470-F604 HydrophobicContact CB-CB 3.89Å; E473-F604 HydrophobicContact CB-CD2 4.24Å; E473-F604 PolarHBondContact OE1-N 3.37Å; E473-F604 VanDerWaalsContact OE1-N 3.15Å; E473-F604 PolarHBondContact OE2-N 2.93Å; L482-F604 HydrophobicContact CD2-CZ 4.31Å; D539-F604 HydrophobicContact CB-CE2 3.83Å; D539-F604 HydrophobicContact CB-CZ 4.05Å; I540-F604 HydrophobicContact CD1-CB 4.3Å; I540-F604 HydrophobicContact CD1-CD1 3.74Å; I540-F604 HydrophobicContact CD1-CD2 3.51Å; I540-F604 HydrophobicContact CD1-CE1 3.85Å; I540-F604 HydrophobicContact CD1-CE2 3.62Å; I540-F604 HydrophobicContact CD1-CG 3.57Å; I540-F604 HydrophobicContact CD1-CZ 3.79Å; I540-F604 HydrophobicContact CG1-CD2 4.09Å; I540-F604 HydrophobicContact CG1-CE2 3.87Å; I540-F604 HydrophobicContact CG1-CZ 4.22Å; F543-F604 HydrophobicContact CB-CE1 3.69Å; F543-F604 HydrophobicContact CB-CZ 3.96Å; F543-F604 HydrophobicContact CD1-CE1 4.11Å; F543-F604 HydrophobicContact CD2-CE1 4.14Å; F543-F604 AromaticContact CG-CE1 3.72Å; F543-F604 HydrophobicContact CG-CE1 3.72Å; F543-F604 HydrophobicContact CG-CZ 4.47Å; F604-V606 VanDerWaalsContact C-N 3.29Å; F604-V606 PolarHBondContact O-N 3.48Å; F604-L607 PolarHBondContact O-N 3.33Å; F604-L608 WeakPolarHBondContact O-CB 3.33Å; F604-L608 PolarHBondContact O-N 3.47Å
605	A	91.3	Very high	93.4	Very high	57 Å²	57	55.3 Å²	55.3	47%	0.471	30%	0.301	S	S	.	.	H	α-helix	trans	-58.5	-39.6	173.8	0	0	0	0	0	112.7	S603 H609	S603-A605 VanDerWaalsContact C-N 3.28Å; S603-A605 PolarHBondContact O-N 3.41Å; A605-H609 PolarHBondContact O-N 3.25Å
606	V	93.9	Very high	91.6	Very high	57 Å²	57	57.5 Å²	57.5	35%	0.345	32%	0.318	S	S	.	.	H	α-helix	trans	-70.9	-45.7	176.6	171.5	0	0	0	0	110.8	W592 P602 S603 F604 L608 H609 E610	W592-V606 HydrophobicContact CH2-CG1 3.61Å; W592-V606 HydrophobicContact CZ3-CG1 3.89Å; P602-V606 HydrophobicContact CB-CB 4.3Å; P602-V606 HydrophobicContact CB-CG1 4.14Å; S603-V606 PolarHBondContact O-N 2.87Å; S603-V606 WeakPolarHBondContact OG-CG2 3.36Å; S603-V606 PolarHBondContact OG-N 2.67Å; F604-V606 VanDerWaalsContact C-N 3.29Å; F604-V606 PolarHBondContact O-N 3.48Å; V606-L608 VanDerWaalsContact C-N 3.33Å; V606-L608 PolarHBondContact O-N 3.2Å; V606-H609 WeakPolarHBondContact O-CB 3.29Å; V606-H609 PolarHBondContact O-N 3.34Å; V606-E610 HydrophobicContact CG1-CG 4.39Å; V606-E610 WeakPolarHBondContact O-CG 3.34Å; V606-E610 PolarHBondContact O-N 3.46Å
607	L	95.4	Very high	89.4	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-60.3	-41.8	177.4	-78	175.5	0	0	0	112.8	I540 F543 L589 P602 S603 F604 H609 E610 L611	I540-L607 HydrophobicContact CD1-CD1 3.58Å; I540-L607 HydrophobicContact CG2-CD1 4.2Å; F543-L607 HydrophobicContact CD1-CD1 3.71Å; F543-L607 HydrophobicContact CE1-CD1 3.96Å; L589-L607 HydrophobicContact CB-CD2 4.42Å; L589-L607 HydrophobicContact CD2-CD2 4.41Å; P602-L607 HydrophobicContact CB-CD2 4.3Å; P602-L607 HydrophobicContact CB-CG 3.99Å; P602-L607 HydrophobicContact CG-CD1 3.87Å; P602-L607 HydrophobicContact CG-CD2 3.61Å; P602-L607 HydrophobicContact CG-CG 3.53Å; S603-L607 PolarHBondContact O-N 3Å; F604-L607 PolarHBondContact O-N 3.33Å; L607-H609 VanDerWaalsContact C-N 3.3Å; L607-H609 PolarHBondContact O-N 2.92Å; L607-E610 PolarHBondContact O-N 3.03Å; L607-L611 WeakPolarHBondContact O-CB 3.5Å; L607-L611 VanDerWaalsContact O-CG 3.28Å; L607-L611 WeakPolarHBondContact O-CG 3.4Å; L607-L611 PolarHBondContact O-N 3.21Å
608	L	94.5	Very high	89.2	Confident	47 Å²	47	59.2 Å²	59.2	25%	0.246	34%	0.335	C	S	.	.	H	α-helix	trans	-58.9	-44.2	176.2	175.1	63.1	0	0	0	111	L463 S466 E467 A470 F604 V606 A612	L463-L608 HydrophobicContact CD2-CD1 4.01Å; S466-L608 VanDerWaalsContact OG-CD1 3.28Å; S466-L608 WeakPolarHBondContact OG-CD1 3.15Å; E467-L608 HydrophobicContact CB-CD1 4.1Å; E467-L608 HydrophobicContact CB-CD2 4.38Å; E467-L608 HydrophobicContact CG-CD2 4.34Å; A470-L608 HydrophobicContact CB-CD2 4.45Å; F604-L608 WeakPolarHBondContact O-CB 3.33Å; F604-L608 PolarHBondContact O-N 3.47Å; V606-L608 VanDerWaalsContact C-N 3.33Å; V606-L608 PolarHBondContact O-N 3.2Å; L608-A612 VanDerWaalsContact O-CB 3.28Å; L608-A612 WeakPolarHBondContact O-CB 3.39Å; L608-A612 PolarHBondContact O-N 3.05Å
609	H	91.4	Very high	88.9	Confident	126 Å²	126	60.5 Å²	60.5	58%	0.583	34%	0.341	S	S	*	.	H	α-helix	trans	-61.8	-49.1	176.3	178.7	-88.5	0	0	0	112.1	A605 V606 L607 A612 A613	A605-H609 PolarHBondContact O-N 3.25Å; V606-H609 WeakPolarHBondContact O-CB 3.29Å; V606-H609 PolarHBondContact O-N 3.34Å; L607-H609 VanDerWaalsContact C-N 3.3Å; L607-H609 PolarHBondContact O-N 2.92Å; H609-A612 PolarHBondContact O-N 3.19Å; H609-A613 PolarHBondContact O-N 3.35Å
610	E	93.8	Very high	88.6	Confident	77 Å²	77	56.5 Å²	56.5	36%	0.36	33%	0.326	S	S	.	.	H	α-helix	trans	-64.6	-41.8	-179.8	-66.2	-54.6	123.9	0	0	112.3	L589 W592 V606 L607 A612 A613 L614	L589-E610 HydrophobicContact CD1-CB 4.17Å; L589-E610 HydrophobicContact CD2-CB 3.83Å; L589-E610 HydrophobicContact CD2-CG 4.28Å; W592-E610 HydrophobicContact CZ3-CG 4.35Å; V606-E610 HydrophobicContact CG1-CG 4.39Å; V606-E610 WeakPolarHBondContact O-CG 3.34Å; V606-E610 PolarHBondContact O-N 3.46Å; L607-E610 PolarHBondContact O-N 3.03Å; E610-A612 VanDerWaalsContact C-N 3.33Å; E610-A612 PolarHBondContact O-N 3.05Å; E610-A613 PolarHBondContact O-N 2.92Å; E610-L614 WeakPolarHBondContact O-CG 3.49Å; E610-L614 PolarHBondContact O-N 2.8Å
611	L	93	Very high	88.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.8	-39.3	175.2	-73.8	167.7	0	0	0	111.7	L459 C462 L463 F543 M547 L589 L607 A613 L614	L459-L611 HydrophobicContact CD1-CD2 3.84Å; C462-L611 HydrophobicContact CB-CD1 4.25Å; C462-L611 HydrophobicContact CB-CD2 4.38Å; L463-L611 HydrophobicContact CD2-CB 3.63Å; L463-L611 HydrophobicContact CG-CB 4.2Å; F543-L611 HydrophobicContact CE1-CD1 4.01Å; F543-L611 HydrophobicContact CZ-CD1 3.8Å; M547-L611 HydrophobicContact SD-CD2 4.31Å; L589-L611 HydrophobicContact CD1-CD2 3.66Å; L589-L611 HydrophobicContact CD1-CG 3.96Å; L607-L611 WeakPolarHBondContact O-CB 3.5Å; L607-L611 VanDerWaalsContact O-CG 3.28Å; L607-L611 WeakPolarHBondContact O-CG 3.4Å; L607-L611 PolarHBondContact O-N 3.21Å; L611-A613 VanDerWaalsContact C-N 3.35Å; L611-L614 WeakPolarHBondContact O-CB 3.44Å; L611-L614 PolarHBondContact O-N 2.73Å
612	A	91.1	Very high	87.5	Confident	35 Å²	35	58.1 Å²	58.1	29%	0.289	34%	0.337	S	S	.	.	H	α-helix	trans	-66.3	-39.8	179.5	0	0	0	0	0	111.1	L463 L608 H609 E610 L614 S615 D616	L463-A612 HydrophobicContact CD2-CB 4.05Å; L608-A612 VanDerWaalsContact O-CB 3.28Å; L608-A612 WeakPolarHBondContact O-CB 3.39Å; L608-A612 PolarHBondContact O-N 3.05Å; H609-A612 PolarHBondContact O-N 3.19Å; E610-A612 VanDerWaalsContact C-N 3.33Å; E610-A612 PolarHBondContact O-N 3.05Å; A612-L614 PolarHBondContact O-N 2.63Å; A612-S615 WeakPolarHBondContact O-CB 3.29Å; A612-S615 PolarHBondContact O-N 3.33Å; A612-S615 PolarHBondContact O-OG 3.27Å; A612-D616 PolarHBondContact O-N 3.3Å
613	A	89.6	Confident	86.8	Confident	43 Å²	43	61.5 Å²	61.5	36%	0.355	36%	0.357	S	S	.	.	H	α-helix	trans	-60.2	-27.8	175.3	0	0	0	0	0	113.2	H609 E610 L611 S615	H609-A613 PolarHBondContact O-N 3.35Å; E610-A613 PolarHBondContact O-N 2.92Å; L611-A613 VanDerWaalsContact C-N 3.35Å; A613-S615 VanDerWaalsContact C-N 3.3Å
614	L	88.5	Confident	86.2	Confident	41 Å²	41	63.4 Å²	63.4	22%	0.215	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-18.1	174.4	-61.1	179.2	0	0	0	113.6	L459 A585 V586 L589 E610 L611 A612 L617	L459-L614 HydrophobicContact CD2-CB 4.11Å; A585-L614 HydrophobicContact CB-CD1 4.03Å; A585-L614 HydrophobicContact CB-CD2 3.61Å; V586-L614 HydrophobicContact CG2-CD1 3.75Å; L589-L614 HydrophobicContact CD1-CD1 3.98Å; E610-L614 WeakPolarHBondContact O-CG 3.49Å; E610-L614 PolarHBondContact O-N 2.8Å; L611-L614 WeakPolarHBondContact O-CB 3.44Å; L611-L614 PolarHBondContact O-N 2.73Å; A612-L614 PolarHBondContact O-N 2.63Å; L614-L617 HydrophobicContact CD2-CD1 4.29Å
615	S	78.1	Confident	85.3	Confident	64 Å²	64	68.2 Å²	68.2	45%	0.448	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-18.5	177.3	74.5	0	0	0	0	113.5	A612 A613	A612-S615 WeakPolarHBondContact O-CB 3.29Å; A612-S615 PolarHBondContact O-N 3.33Å; A612-S615 PolarHBondContact O-OG 3.27Å; A613-S615 VanDerWaalsContact C-N 3.3Å
616	D	59.8	Low	84.8	Confident	146 Å²	146	69.2 Å²	69.2	78%	0.781	39%	0.386	S	S	*	.			trans	-88.9	-1.1	177.3	-74.8	-33.8	0	0	0	113.1	A612	A612-D616 PolarHBondContact O-N 3.3Å
617	L	48.9	Very low	84	Confident	194 Å²	194	70.3 Å²	70.3	100%	1.016	39%	0.39	S	S	*	.			trans	-98.9	0	175.3	-73.4	168.1	0	0	0	110.5	L614	L614-L617 HydrophobicContact CD2-CD1 4.29Å

Retrieved 617 of 617 residues in 378.8 ms (Link to these results)

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