A0A077Z6F7_TRITR Loading...

calcium/calmodulin-dependent protein kinase

AlphaFold DB , UniProt , Accession A0A077Z6F7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 483 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	50.5	Low	51.9	Low	192 Å²	192	110.4 Å²	110.4	95%	0.946	52%	0.521	S	S	*	.				0	158.9	0	-77.6	179.5	-96.2	0	0	109.1	T24	M1-T24 HydrophobicContact CB-CG2 4.2Å; M1-T24 PolarHBondContact O-N 2.6Å; M1-T24 VanDerWaalsContact O-N 3.1Å; M1-T24 PolarHBondContact O-OG1 3.15Å
2	L	56	Low	53.1	Low	52 Å²	52	110.7 Å²	110.7	27%	0.272	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120	172.9	-76.3	159.1	0	0	0	108.9	C4 V22 Q23 F30 I70 V79	L2-C4 PolarHBondContact O-N 3.27Å; L2-V22 CarbonylContact C-O 3.49Å; L2-Q23 HydrophobicContact CD2-CB 4.05Å; L2-F30 HydrophobicContact CD2-CD2 4.5Å; L2-I70 HydrophobicContact CD1-CD1 3.88Å; L2-V79 HydrophobicContact CD1-CG1 4.42Å; L2-V79 HydrophobicContact CD1-CG2 3.76Å
3	A	53.7	Low	54.1	Low	27 Å²	27	103.6 Å²	103.6	22%	0.223	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	100.5	170.5	0	0	0	0	0	109.1	Y5 V22 T24	A3-Y5 VanDerWaalsContact C-N 3.27Å; A3-Y5 HydrophobicContact CB-CD2 3.98Å; A3-Y5 HydrophobicContact CB-CE2 3.56Å; A3-Y5 WeakPolarHBondContact O-CD2 3.26Å; A3-Y5 PolarHBondContact O-N 3.11Å; A3-V22 PolarHBondContact N-O 3.43Å; A3-V22 PolarHBondContact O-N 3.16Å; A3-T24 HydrophobicContact CB-CG2 3.84Å
4	C	54.1	Low	54.9	Low	48 Å²	48	101.4 Å²	101.4	32%	0.324	50%	0.497	S	S	.	.			trans	-78.5	77.4	169	-71.1	0	0	0	0	110.1	L2	L2-C4 PolarHBondContact O-N 3.27Å
5	Y	46.8	Very low	56.4	Low	142 Å²	142	100.2 Å²	100.2	56%	0.557	49%	0.488	S	S	*	.			trans	-53.8	147.9	171.1	-71.7	-83.3	0	0	0	111.3	A3 C7 V22	A3-Y5 VanDerWaalsContact C-N 3.27Å; A3-Y5 HydrophobicContact CB-CD2 3.98Å; A3-Y5 HydrophobicContact CB-CE2 3.56Å; A3-Y5 WeakPolarHBondContact O-CD2 3.26Å; A3-Y5 PolarHBondContact O-N 3.11Å; Y5-C7 PolarHBondContact O-N 2.87Å; Y5-V22 HydrophobicContact CD2-CB 4.24Å; Y5-V22 HydrophobicContact CD2-CG2 3.88Å; Y5-V22 HydrophobicContact CE2-CB 4.06Å; Y5-V22 HydrophobicContact CE2-CG2 4.04Å
6	L	36.4	Very low	58.1	Low	165 Å²	165	95.3 Å²	95.3	86%	0.864	47%	0.467	S	S	*	.			trans	-71.2	80.9	173.8	-82.3	86.6	0	0	0	110.9
7	C	39.9	Very low	59.7	Low	36 Å²	36	91.7 Å²	91.7	24%	0.243	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-102.9	157	162.2	-66.7	0	0	0	0	110.6	Y5 R20	Y5-C7 PolarHBondContact O-N 2.87Å; C7-R20 HydrophobicContact CB-CB 4.43Å; C7-R20 PolarHBondContact SG-NE 3.28Å; C7-R20 PolarHBondContact SG-NH2 3.06Å
8	F	49.9	Very low	61.2	Low	188 Å²	188	88.1 Å²	88.1	83%	0.825	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-52.3	151	176.7	-66.1	-92.6	0	0	0	112	F10	F8-F10 VanDerWaalsContact O-CD2 3.31Å; F8-F10 WeakPolarHBondContact O-CD2 3.37Å; F8-F10 WeakPolarHBondContact O-CE2 3.33Å
9	Y	55	Low	62.7	Low	134 Å²	134	86.1 Å²	86.1	53%	0.525	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	133.9	169.8	-60.3	-71.6	0	0	0	109.7	V17 R19	Y9-V17 HydrophobicContact CD1-CB 3.88Å; Y9-V17 HydrophobicContact CD1-CG1 4.38Å; Y9-V17 HydrophobicContact CD1-CG2 4.34Å; Y9-V17 HydrophobicContact CE1-CB 3.88Å; Y9-V17 HydrophobicContact CE1-CG1 4.13Å; Y9-V17 HydrophobicContact CE1-CG2 4Å; Y9-R19 HydrophobicContact CD1-CG 4.02Å; Y9-R19 HydrophobicContact CE1-CG 4.24Å
10	F	63.6	Low	64.1	Low	109 Å²	109	84.7 Å²	84.7	48%	0.478	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-33.3	173.4	-71.9	-106.2	0	0	0	110.6	F8 V18 R20 L82	F8-F10 VanDerWaalsContact O-CD2 3.31Å; F8-F10 WeakPolarHBondContact O-CD2 3.37Å; F8-F10 WeakPolarHBondContact O-CE2 3.33Å; F10-V18 HydrophobicContact CB-CB 4.39Å; F10-V18 HydrophobicContact CB-CG1 4.21Å; F10-V18 PolarHBondContact N-O 2.86Å; F10-R20 HydrophobicContact CD2-CB 4.48Å; F10-R20 HydrophobicContact CE2-CB 3.54Å; F10-R20 HydrophobicContact CZ-CB 3.88Å; F10-L82 HydrophobicContact CE1-CD1 4.4Å; F10-L82 HydrophobicContact CZ-CD1 4.47Å
11	Y	64.9	Low	65.4	Low	121 Å²	121	80.7 Å²	80.7	48%	0.475	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	152	177.1	-175.2	-100.4	0	0	0	110	V18	Y11-V18 HydrophobicContact CD1-CG2 4.35Å; Y11-V18 PolarHBondContact O-N 2.82Å
12	R	66.4	Low	67.3	Low	114 Å²	114	72.5 Å²	72.5	43%	0.43	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	106.6	-179.8	-148.5	-176.1	-175	-154.7	-1.8	109.9	V17 D367	R12-V17 HydrophobicContact CG-CG1 3.87Å; R12-D367 IonicContact CZ-OD2 3.87Å; R12-D367 IonicContact NH1-OD2 3.38Å; R12-D367 PolarHBondContact NH1-OD2 3.3Å; R12-D367 IonicContact NH2-OD2 3.13Å; R12-D367 PolarHBondContact NH2-OD2 3.17Å
13	G	65.4	Low	69	Low	19 Å²	19	73.1 Å²	73.1	20%	0.196	36%	0.355	C	S	.	.			trans	-98.3	175.1	175	0	0	0	0	0	112.3	F15 S16	G13-F15 VanDerWaalsContact C-N 3.28Å; G13-F15 PolarHBondContact O-N 2.98Å; G13-S16 PolarHBondContact N-O 3.11Å; G13-S16 PolarHBondContact O-N 2.9Å
14	A	66.6	Low	70.7	Confident	73 Å²	73	75.8 Å²	75.8	60%	0.603	37%	0.369	S	S	*	.	S	Bend	trans	-55.9	-36	-174	0	0	0	0	0	114.8
15	F	76.3	Confident	72.4	Confident	83 Å²	83	78 Å²	78	36%	0.364	39%	0.385	S	S	.	.	S	Bend	trans	-124.6	5	-178	-52.5	-68.4	0	0	0	113.6	G13 N36 K39 L40	G13-F15 VanDerWaalsContact C-N 3.28Å; G13-F15 PolarHBondContact O-N 2.98Å; F15-N36 PolarHBondContact O-N 3.47Å; F15-K39 HydrophobicContact CD1-CB 4.15Å; F15-L40 HydrophobicContact CB-CD2 3.89Å; F15-L40 HydrophobicContact CD2-CD2 4.17Å; F15-L40 HydrophobicContact CG-CD2 3.96Å
16	S	83.4	Confident	74.6	Confident	22 Å²	22	74.9 Å²	74.9	15%	0.154	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	148.6	-167.4	59.9	0	0	0	0	113.9	G13 I34	G13-S16 PolarHBondContact N-O 3.11Å; G13-S16 PolarHBondContact O-N 2.9Å; S16-I34 CarbonylContact C-O 3.36Å; S16-I34 WeakPolarHBondContact CA-O 3.28Å; S16-I34 WeakPolarHBondContact CB-O 3.14Å
17	V	85.1	Confident	77.2	Confident	34 Å²	34	69.4 Å²	69.4	21%	0.206	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.1	176.2	-54.3	0	0	0	0	110.3	Y9 R12 R19 I34	Y9-V17 HydrophobicContact CD1-CB 3.88Å; Y9-V17 HydrophobicContact CD1-CG1 4.38Å; Y9-V17 HydrophobicContact CD1-CG2 4.34Å; Y9-V17 HydrophobicContact CE1-CB 3.88Å; Y9-V17 HydrophobicContact CE1-CG1 4.13Å; Y9-V17 HydrophobicContact CE1-CG2 4Å; R12-V17 HydrophobicContact CG-CG1 3.87Å; V17-R19 HydrophobicContact CG2-CG 4.23Å; V17-I34 HydrophobicContact CG2-CB 4.03Å; V17-I34 HydrophobicContact CG2-CD1 4.38Å; V17-I34 PolarHBondContact N-O 2.81Å; V17-I34 PolarHBondContact O-N 3.16Å
18	V	87.8	Confident	79.7	Confident	27 Å²	27	72.4 Å²	72.4	16%	0.164	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.2	176.6	-174.8	0	0	0	0	109.7	F10 Y11 A31 A32 K33	F10-V18 HydrophobicContact CB-CB 4.39Å; F10-V18 HydrophobicContact CB-CG1 4.21Å; F10-V18 PolarHBondContact N-O 2.86Å; Y11-V18 HydrophobicContact CD1-CG2 4.35Å; Y11-V18 PolarHBondContact O-N 2.82Å; V18-A31 HydrophobicContact CG1-CB 4.22Å; V18-A32 WeakPolarHBondContact CA-O 3.41Å; V18-K33 HydrophobicContact CG2-CB 4.23Å; V18-K33 HydrophobicContact CG2-CG 4.26Å
19	R	89.6	Confident	81.8	Confident	50 Å²	50	67.8 Å²	67.8	19%	0.189	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	143.9	-177.4	-56.2	-174.6	75	-167.2	2.7	110.9	Y9 V17 A32 I34	Y9-R19 HydrophobicContact CD1-CG 4.02Å; Y9-R19 HydrophobicContact CE1-CG 4.24Å; V17-R19 HydrophobicContact CG2-CG 4.23Å; R19-A32 PolarHBondContact N-O 3.11Å; R19-A32 PolarHBondContact O-N 2.86Å; R19-I34 HydrophobicContact CB-CD1 4.49Å; R19-I34 HydrophobicContact CG-CD1 4.24Å
20	R	91.1	Very high	83.7	Confident	58 Å²	58	62.2 Å²	62.2	22%	0.219	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	136.4	167.8	-173.2	-178.4	77.3	112.1	9.5	110.2	C7 F10 E29 F30 L82	C7-R20 HydrophobicContact CB-CB 4.43Å; C7-R20 PolarHBondContact SG-NE 3.28Å; C7-R20 PolarHBondContact SG-NH2 3.06Å; F10-R20 HydrophobicContact CD2-CB 4.48Å; F10-R20 HydrophobicContact CE2-CB 3.54Å; F10-R20 HydrophobicContact CZ-CB 3.88Å; R20-E29 WeakPolarHBondContact CD-OE2 3.3Å; R20-E29 IonicContact CZ-OE1 2.93Å; R20-E29 IonicContact CZ-OE2 3.28Å; R20-E29 IonicContact NH1-OE1 3.27Å; R20-E29 PolarHBondContact NH1-OE1 3.28Å; R20-E29 IonicContact NH1-OE2 2.75Å; R20-E29 PolarHBondContact NH1-OE2 3.32Å; R20-F30 CarbonylContact C-O 3.54Å; R20-F30 WeakPolarHBondContact CA-O 3.34Å; R20-L82 HydrophobicContact CB-CD1 4.33Å; R20-L82 HydrophobicContact CG-CD1 4.07Å; R20-L82 HydrophobicContact CG-CD2 3.82Å
21	C	90.9	Very high	85.1	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.007	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	162.3	175.5	62.2	0	0	0	0	110.3	E29 F30	C21-E29 WeakPolarHBondContact O-CA 3.4Å; C21-F30 PolarHBondContact N-O 2.92Å; C21-F30 PolarHBondContact O-N 2.91Å; C21-F30 PolarHBondContact SG-O 3.19Å
22	V	91.4	Very high	86.4	Confident	19 Å²	19	51.9 Å²	51.9	12%	0.115	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	132.6	-178.7	-175.3	0	0	0	0	109.8	L2 A3 Y5 T24 L28 E29	L2-V22 CarbonylContact C-O 3.49Å; A3-V22 PolarHBondContact N-O 3.43Å; A3-V22 PolarHBondContact O-N 3.16Å; Y5-V22 HydrophobicContact CD2-CB 4.24Å; Y5-V22 HydrophobicContact CD2-CG2 3.88Å; Y5-V22 HydrophobicContact CE2-CB 4.06Å; Y5-V22 HydrophobicContact CE2-CG2 4.04Å; V22-T24 PolarHBondContact O-N 2.87Å; V22-L28 CarbonylContact C-O 3.59Å; V22-L28 WeakPolarHBondContact CA-O 3.38Å; V22-E29 HydrophobicContact CG2-CG 4.19Å
23	Q	91	Very high	87.6	Confident	65 Å²	65	47.6 Å²	47.6	30%	0.304	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	117.3	177.2	-176.7	-178.2	57.8	0	0	110.3	L2 S25 T26 G27 L28 F30	L2-Q23 HydrophobicContact CD2-CB 4.05Å; Q23-S25 PolarHBondContact O-N 2.78Å; Q23-S25 VanDerWaalsContact O-N 3.08Å; Q23-T26 PolarHBondContact O-N 2.86Å; Q23-T26 PolarHBondContact OE1-OG1 2.52Å; Q23-G27 PolarHBondContact O-N 3.05Å; Q23-L28 PolarHBondContact N-O 2.89Å; Q23-F30 HydrophobicContact CB-CD2 4.3Å; Q23-F30 HydrophobicContact CB-CE2 3.79Å
24	T	89.1	Confident	88.8	Confident	83 Å²	83	47.6 Å²	47.6	51%	0.509	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.2	-166.8	62.3	0	0	0	0	114.5	M1 A3 V22	M1-T24 HydrophobicContact CB-CG2 4.2Å; M1-T24 PolarHBondContact O-N 2.6Å; M1-T24 VanDerWaalsContact O-N 3.1Å; M1-T24 PolarHBondContact O-OG1 3.15Å; A3-T24 HydrophobicContact CB-CG2 3.84Å; V22-T24 PolarHBondContact O-N 2.87Å
25	S	90.6	Very high	89.9	Confident	94 Å²	94	44.6 Å²	44.6	66%	0.657	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-11.3	-178.4	50.1	0	0	0	0	114.4	Q23	Q23-S25 PolarHBondContact O-N 2.78Å; Q23-S25 VanDerWaalsContact O-N 3.08Å
26	T	92.8	Very high	90.5	Very high	77 Å²	77	42.5 Å²	42.5	47%	0.472	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.1	-19.8	-172.9	60.1	0	0	0	0	114	Q23 L28	Q23-T26 PolarHBondContact O-N 2.86Å; Q23-T26 PolarHBondContact OE1-OG1 2.52Å; T26-L28 PolarHBondContact O-N 2.71Å; T26-L28 PolarHBondContact OG1-N 2.9Å
27	G	90.7	Very high	90.8	Very high	51 Å²	51	42.8 Å²	42.8	53%	0.526	24%	0.244	S	C	.	.			trans	74.6	2.4	-172	0	0	0	0	0	114.4	Q23	Q23-G27 PolarHBondContact O-N 3.05Å
28	L	92.6	Very high	90.8	Very high	98 Å²	98	47.3 Å²	47.3	51%	0.513	26%	0.261	S	S	.	.			trans	-71.4	141	179.7	-65.7	174.1	0	0	0	111.6	V22 Q23 T26 F30	V22-L28 CarbonylContact C-O 3.59Å; V22-L28 WeakPolarHBondContact CA-O 3.38Å; Q23-L28 PolarHBondContact N-O 2.89Å; T26-L28 PolarHBondContact O-N 2.71Å; T26-L28 PolarHBondContact OG1-N 2.9Å; L28-F30 HydrophobicContact CB-CE2 3.57Å; L28-F30 HydrophobicContact CB-CZ 3.81Å; L28-F30 HydrophobicContact CD1-CZ 4.37Å; L28-F30 WeakPolarHBondContact O-CD2 3.13Å; L28-F30 WeakPolarHBondContact O-CE2 3.3Å
29	E	93.7	Very high	90.4	Very high	91 Å²	91	50.6 Å²	50.6	43%	0.425	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	139.2	-177.1	-46.3	-157.8	157.5	0	0	112.6	R20 C21 V22 L82	R20-E29 WeakPolarHBondContact CD-OE2 3.3Å; R20-E29 IonicContact CZ-OE1 2.93Å; R20-E29 IonicContact CZ-OE2 3.28Å; R20-E29 IonicContact NH1-OE1 3.27Å; R20-E29 PolarHBondContact NH1-OE1 3.28Å; R20-E29 IonicContact NH1-OE2 2.75Å; R20-E29 PolarHBondContact NH1-OE2 3.32Å; C21-E29 WeakPolarHBondContact O-CA 3.4Å; V22-E29 HydrophobicContact CG2-CG 4.19Å; E29-L82 HydrophobicContact CB-CD2 3.7Å
30	F	94.1	Very high	90	Very high	17 Å²	17	49.7 Å²	49.7	8%	0.075	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	163.6	-174.3	-60	-84.7	0	0	0	111.6	L2 R20 C21 Q23 L28 H67 V79 F80	L2-F30 HydrophobicContact CD2-CD2 4.5Å; R20-F30 CarbonylContact C-O 3.54Å; R20-F30 WeakPolarHBondContact CA-O 3.34Å; C21-F30 PolarHBondContact N-O 2.92Å; C21-F30 PolarHBondContact O-N 2.91Å; C21-F30 PolarHBondContact SG-O 3.19Å; Q23-F30 HydrophobicContact CB-CD2 4.3Å; Q23-F30 HydrophobicContact CB-CE2 3.79Å; L28-F30 HydrophobicContact CB-CE2 3.57Å; L28-F30 HydrophobicContact CB-CZ 3.81Å; L28-F30 HydrophobicContact CD1-CZ 4.37Å; L28-F30 WeakPolarHBondContact O-CD2 3.13Å; L28-F30 WeakPolarHBondContact O-CE2 3.3Å; F30-H67 AromaticContact CD1-CD2 3.91Å; F30-H67 HydrophobicContact CE1-CB 4.25Å; F30-H67 AromaticContact CE1-CD2 3.88Å; F30-H67 AromaticContact CE1-CE1 3.87Å; F30-H67 AromaticContact CE1-CG 3.68Å; F30-H67 AromaticContact CE1-ND1 3.69Å; F30-H67 AromaticContact CE1-NE2 3.99Å; F30-V79 HydrophobicContact CB-CG1 3.6Å; F30-V79 HydrophobicContact CD1-CG1 4.22Å; F30-V79 HydrophobicContact CG-CG1 3.89Å; F30-F80 WeakPolarHBondContact CB-O 3.3Å
31	A	92.7	Very high	89.8	Confident	12 Å²	12	49 Å²	49	10%	0.099	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	110.9	171.2	0	0	0	0	0	110.7	V18 F80 L82	V18-A31 HydrophobicContact CG1-CB 4.22Å; A31-F80 PolarHBondContact N-O 3.02Å; A31-F80 PolarHBondContact O-N 3.47Å; A31-L82 HydrophobicContact CB-CD1 4.15Å
32	A	93	Very high	89.5	Confident	2 Å²	2	53.8 Å²	53.8	2%	0.017	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	114.8	174.2	0	0	0	0	0	110.7	V18 R19 I34 L78	V18-A32 WeakPolarHBondContact CA-O 3.41Å; R19-A32 PolarHBondContact N-O 3.11Å; R19-A32 PolarHBondContact O-N 2.86Å; A32-I34 HydrophobicContact CB-CG1 4.14Å; A32-I34 PolarHBondContact O-N 3.15Å; A32-L78 CarbonylContact C-O 3.5Å; A32-L78 WeakPolarHBondContact CA-O 3.24Å
33	K	91.2	Very high	89.2	Confident	24 Å²	24	61.6 Å²	61.6	10%	0.104	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	99.1	163.8	-175.8	177.3	178.6	-175.6	0	106.6	V18 I35 E51 L78 F80 D147	V18-K33 HydrophobicContact CG2-CB 4.23Å; V18-K33 HydrophobicContact CG2-CG 4.26Å; K33-I35 HydrophobicContact CG-CD1 4.21Å; K33-I35 HydrophobicContact CG-CG1 4.41Å; K33-I35 WeakPolarHBondContact O-CD1 3.49Å; K33-E51 IonicContact NZ-OE1 3.73Å; K33-E51 PolarHBondContact NZ-OE1 3.34Å; K33-E51 IonicContact NZ-OE2 3.66Å; K33-E51 PolarHBondContact NZ-OE2 2.88Å; K33-E51 VanDerWaalsContact NZ-OE2 3.08Å; K33-L78 HydrophobicContact CB-CB 4.32Å; K33-L78 PolarHBondContact N-O 2.88Å; K33-L78 PolarHBondContact O-N 2.8Å; K33-F80 HydrophobicContact CB-CD2 4.27Å; K33-F80 HydrophobicContact CB-CE2 3.98Å; K33-F80 HydrophobicContact CD-CE2 4.13Å; K33-D147 IonicContact NZ-OD1 2.77Å; K33-D147 PolarHBondContact NZ-OD1 2.84Å
34	I	91.4	Very high	89	Confident	19 Å²	19	60 Å²	60	10%	0.097	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	116.9	-177.6	-48.5	178.2	0	0	0	108	S16 V17 R19 A32 F75 Y77	S16-I34 CarbonylContact C-O 3.36Å; S16-I34 WeakPolarHBondContact CA-O 3.28Å; S16-I34 WeakPolarHBondContact CB-O 3.14Å; V17-I34 HydrophobicContact CG2-CB 4.03Å; V17-I34 HydrophobicContact CG2-CD1 4.38Å; V17-I34 PolarHBondContact N-O 2.81Å; V17-I34 PolarHBondContact O-N 3.16Å; R19-I34 HydrophobicContact CB-CD1 4.49Å; R19-I34 HydrophobicContact CG-CD1 4.24Å; A32-I34 HydrophobicContact CB-CG1 4.14Å; A32-I34 PolarHBondContact O-N 3.15Å; I34-F75 HydrophobicContact CG2-CD1 3.96Å; I34-Y77 HydrophobicContact CB-CD1 4.37Å; I34-Y77 HydrophobicContact CB-CE1 4.44Å; I34-Y77 HydrophobicContact CD1-CD1 4.33Å; I34-Y77 HydrophobicContact CD1-CE1 4.09Å; I34-Y77 HydrophobicContact CG1-CD1 3.84Å; I34-Y77 HydrophobicContact CG1-CE1 4.03Å; I34-Y77 HydrophobicContact CG2-CD1 4.04Å; I34-Y77 HydrophobicContact CG2-CE1 3.72Å
35	I	90.1	Very high	88.9	Confident	10 Å²	10	59.4 Å²	59.4	5%	0.051	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.4	-177.8	-55.6	114	0	0	0	109.7	K33 T37 L40 L48 F75 H76 L78	K33-I35 HydrophobicContact CG-CD1 4.21Å; K33-I35 HydrophobicContact CG-CG1 4.41Å; K33-I35 WeakPolarHBondContact O-CD1 3.49Å; I35-T37 PolarHBondContact O-N 2.85Å; I35-L40 HydrophobicContact CG2-CD1 3.96Å; I35-L40 HydrophobicContact CG2-CD2 4.22Å; I35-L40 HydrophobicContact CG2-CG 4.39Å; I35-L48 HydrophobicContact CD1-CD1 3.75Å; I35-L48 HydrophobicContact CG2-CD2 4.3Å; I35-F75 CarbonylContact O-C 3.57Å; I35-F75 VanDerWaalsContact O-CA 3.29Å; I35-F75 WeakPolarHBondContact O-CA 3.46Å; I35-H76 PolarHBondContact N-O 3.37Å; I35-H76 PolarHBondContact O-N 2.91Å; I35-L78 HydrophobicContact CD1-CD1 4.19Å; I35-L78 HydrophobicContact CD1-CG 4.03Å
36	N	88.1	Confident	88.8	Confident	39 Å²	39	60.8 Å²	60.8	21%	0.209	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	103	175.2	-176.9	-49.1	0	0	0	109.8	F15 K38 K39 G74 F75	F15-N36 PolarHBondContact O-N 3.47Å; N36-K38 VanDerWaalsContact C-N 3.32Å; N36-K38 PolarHBondContact O-N 2.92Å; N36-K38 WeakPolarHBondContact OD1-CB 3.27Å; N36-K38 PolarHBondContact OD1-N 2.82Å; N36-K38 VanDerWaalsContact OD1-N 3.1Å; N36-K39 PolarHBondContact O-N 3.34Å; N36-K39 PolarHBondContact OD1-N 3Å; N36-G74 CarbonylContact C-O 3.58Å; N36-F75 HydrophobicContact CB-CD1 4.27Å; N36-F75 HydrophobicContact CB-CE1 3.96Å
37	T	89.1	Confident	88.6	Confident	27 Å²	27	60.8 Å²	60.8	17%	0.166	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-73.3	-22.5	-177.4	61.9	0	0	0	0	113	I35 K39 L40 F45 L48 G74 H76	I35-T37 PolarHBondContact O-N 2.85Å; T37-K39 PolarHBondContact O-N 2.84Å; T37-L40 HydrophobicContact CG2-CD1 4.28Å; T37-L40 PolarHBondContact O-N 3.19Å; T37-F45 HydrophobicContact CG2-CE2 4.46Å; T37-L48 HydrophobicContact CG2-CD2 4.4Å; T37-G74 PolarHBondContact N-O 2.91Å; T37-G74 VanDerWaalsContact OG1-CA 3.24Å; T37-G74 WeakPolarHBondContact OG1-CA 3.42Å; T37-G74 PolarHBondContact OG1-O 2.85Å; T37-H76 HydrophobicContact CG2-CB 3.77Å
38	K	85.3	Confident	88.5	Confident	130 Å²	130	58.8 Å²	58.8	57%	0.565	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-63.6	-20.5	174	-60.8	-176.5	173.8	174.9	0	112.6	N36 E73	N36-K38 VanDerWaalsContact C-N 3.32Å; N36-K38 PolarHBondContact O-N 2.92Å; N36-K38 WeakPolarHBondContact OD1-CB 3.27Å; N36-K38 PolarHBondContact OD1-N 2.82Å; N36-K38 VanDerWaalsContact OD1-N 3.1Å; K38-E73 WeakPolarHBondContact CE-OE1 3.45Å; K38-E73 IonicContact NZ-OE1 2.82Å; K38-E73 PolarHBondContact NZ-OE1 2.81Å
39	K	80	Confident	88.5	Confident	96 Å²	96	58.6 Å²	58.6	42%	0.417	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-98.6	-2.1	177.3	-65.9	-171.4	178.8	-171.2	0	115.2	F15 N36 T37	F15-K39 HydrophobicContact CD1-CB 4.15Å; N36-K39 PolarHBondContact O-N 3.34Å; N36-K39 PolarHBondContact OD1-N 3Å; T37-K39 PolarHBondContact O-N 2.84Å
40	L	82.3	Confident	88.4	Confident	31 Å²	31	56.9 Å²	56.9	16%	0.162	27%	0.274	C	S	.	.			trans	-86.4	143.2	-177.4	-62.8	-177.3	0	0	0	112.3	F15 I35 T37 D44 L48	F15-L40 HydrophobicContact CB-CD2 3.89Å; F15-L40 HydrophobicContact CD2-CD2 4.17Å; F15-L40 HydrophobicContact CG-CD2 3.96Å; I35-L40 HydrophobicContact CG2-CD1 3.96Å; I35-L40 HydrophobicContact CG2-CD2 4.22Å; I35-L40 HydrophobicContact CG2-CG 4.39Å; T37-L40 HydrophobicContact CG2-CD1 4.28Å; T37-L40 PolarHBondContact O-N 3.19Å; L40-D44 HydrophobicContact CB-CB 4.2Å; L40-D44 HydrophobicContact CD2-CB 4.02Å; L40-L48 HydrophobicContact CD1-CD2 3.88Å
41	S	85.2	Confident	88.4	Confident	43 Å²	43	56.8 Å²	56.8	30%	0.301	27%	0.273	S	S	.	.			trans	-74.6	160.8	162.1	83.1	0	0	0	0	110.7	R43 D44 F45	S41-R43 PolarHBondContact O-N 2.81Å; S41-R43 VanDerWaalsContact O-N 3.11Å; S41-R43 PolarHBondContact OG-N 2.98Å; S41-D44 WeakPolarHBondContact CB-OD2 3.43Å; S41-D44 PolarHBondContact N-OD2 3.31Å; S41-D44 PolarHBondContact O-N 2.92Å; S41-D44 PolarHBondContact OG-N 3.32Å; S41-D44 PolarHBondContact OG-OD2 3.02Å; S41-F45 PolarHBondContact O-N 3.32Å
42	S	85.8	Confident	88.4	Confident	101 Å²	101	56.3 Å²	56.3	71%	0.706	27%	0.269	S	S	*	.	H	α-helix	trans	-55.6	-30.1	173.8	-48.2	0	0	0	0	112.9	Q46	S42-Q46 WeakPolarHBondContact O-CG 3.39Å; S42-Q46 PolarHBondContact O-N 2.91Å
43	R	84.9	Confident	88.5	Confident	184 Å²	184	61.6 Å²	61.6	69%	0.694	29%	0.289	S	S	*	.	H	α-helix	trans	-72.3	-31.7	175.6	-172.9	-179	-177.9	-165.3	1.4	112.3	S41 K47	S41-R43 PolarHBondContact O-N 2.81Å; S41-R43 VanDerWaalsContact O-N 3.11Å; S41-R43 PolarHBondContact OG-N 2.98Å; R43-K47 WeakPolarHBondContact O-CG 3.47Å; R43-K47 PolarHBondContact O-N 2.91Å
44	D	85.6	Confident	88.7	Confident	31 Å²	31	60.4 Å²	60.4	17%	0.166	28%	0.284	C	S	.	.	H	α-helix	trans	-81.2	-32.6	178	-56.9	-59.2	0	0	0	111.6	L40 S41 Q46 K47 L48	L40-D44 HydrophobicContact CB-CB 4.2Å; L40-D44 HydrophobicContact CD2-CB 4.02Å; S41-D44 WeakPolarHBondContact CB-OD2 3.43Å; S41-D44 PolarHBondContact N-OD2 3.31Å; S41-D44 PolarHBondContact O-N 2.92Å; S41-D44 PolarHBondContact OG-N 3.32Å; S41-D44 PolarHBondContact OG-OD2 3.02Å; D44-Q46 VanDerWaalsContact C-N 3.35Å; D44-K47 WeakPolarHBondContact O-CB 3.31Å; D44-K47 PolarHBondContact O-N 2.71Å; D44-K47 VanDerWaalsContact O-N 3.13Å; D44-K47 WeakPolarHBondContact OD1-CE 3.49Å; D44-K47 IonicContact OD1-NZ 3.07Å; D44-K47 PolarHBondContact OD1-NZ 3.1Å; D44-L48 PolarHBondContact O-N 3.37Å
45	F	87.3	Confident	88.9	Confident	71 Å²	71	59.7 Å²	59.7	31%	0.311	28%	0.28	S	S	.	.	H	α-helix	trans	-58.6	-45.8	167.9	-163	-92.9	0	0	0	111.3	T37 S41 K47 L48 E49	T37-F45 HydrophobicContact CG2-CE2 4.46Å; S41-F45 PolarHBondContact O-N 3.32Å; F45-K47 VanDerWaalsContact C-N 3.28Å; F45-K47 PolarHBondContact O-N 2.78Å; F45-L48 WeakPolarHBondContact O-CB 3.46Å; F45-L48 PolarHBondContact O-N 2.86Å; F45-L48 VanDerWaalsContact O-N 3.09Å; F45-E49 HydrophobicContact CD1-CG 4.01Å; F45-E49 HydrophobicContact CE1-CG 3.82Å; F45-E49 PolarHBondContact O-N 3.33Å
46	Q	88.9	Confident	89.1	Confident	123 Å²	123	65.3 Å²	65.3	58%	0.575	30%	0.301	S	S	*	.	H	α-helix	trans	-62	-28.5	173.5	-72.6	173	-7.6	0	0	114.2	S42 D44 R50	S42-Q46 WeakPolarHBondContact O-CG 3.39Å; S42-Q46 PolarHBondContact O-N 2.91Å; D44-Q46 VanDerWaalsContact C-N 3.35Å; Q46-R50 PolarHBondContact O-N 2.85Å
47	K	88.4	Confident	89.3	Confident	77 Å²	77	67.9 Å²	67.9	34%	0.335	31%	0.31	S	S	.	.	H	α-helix	trans	-69.6	-46.3	171	-65.9	170.3	-168.5	167.6	0	110.4	R43 D44 F45 R50 E51	R43-K47 WeakPolarHBondContact O-CG 3.47Å; R43-K47 PolarHBondContact O-N 2.91Å; D44-K47 WeakPolarHBondContact O-CB 3.31Å; D44-K47 PolarHBondContact O-N 2.71Å; D44-K47 VanDerWaalsContact O-N 3.13Å; D44-K47 WeakPolarHBondContact OD1-CE 3.49Å; D44-K47 IonicContact OD1-NZ 3.07Å; D44-K47 PolarHBondContact OD1-NZ 3.1Å; F45-K47 VanDerWaalsContact C-N 3.28Å; F45-K47 PolarHBondContact O-N 2.78Å; K47-R50 CarbonylContact O-C 3.59Å; K47-R50 WeakPolarHBondContact O-CB 3.49Å; K47-R50 PolarHBondContact O-N 3.25Å; K47-R50 VanDerWaalsContact O-N 3.13Å; K47-E51 PolarHBondContact O-N 3.43Å
48	L	90	Very high	89.6	Confident	8 Å²	8	66.6 Å²	66.6	4%	0.042	30%	0.302	C	S	.	.	H	α-helix	trans	-61.1	-44.6	179.7	172.7	55.7	0	0	0	112	I35 T37 L40 D44 F45 R50 E51 A52 H76 L78	I35-L48 HydrophobicContact CD1-CD1 3.75Å; I35-L48 HydrophobicContact CG2-CD2 4.3Å; T37-L48 HydrophobicContact CG2-CD2 4.4Å; L40-L48 HydrophobicContact CD1-CD2 3.88Å; D44-L48 PolarHBondContact O-N 3.37Å; F45-L48 WeakPolarHBondContact O-CB 3.46Å; F45-L48 PolarHBondContact O-N 2.86Å; F45-L48 VanDerWaalsContact O-N 3.09Å; L48-R50 VanDerWaalsContact C-N 3.28Å; L48-R50 PolarHBondContact O-N 3.04Å; L48-E51 PolarHBondContact O-N 3.2Å; L48-A52 VanDerWaalsContact O-CB 3.32Å; L48-A52 WeakPolarHBondContact O-CB 3.04Å; L48-A52 PolarHBondContact O-N 3.43Å; L48-H76 HydrophobicContact CD2-CB 3.91Å; L48-L78 HydrophobicContact CD1-CD1 3.82Å; L48-L78 HydrophobicContact CD1-CD2 4.48Å; L48-L78 HydrophobicContact CD1-CG 4.27Å
49	E	91	Very high	90.1	Very high	95 Å²	95	64.7 Å²	64.7	44%	0.444	30%	0.296	S	S	.	.	H	α-helix	trans	-60.2	-37.6	173.1	-69.6	-178.7	125.5	0	0	112.4	F45 R53	F45-E49 HydrophobicContact CD1-CG 4.01Å; F45-E49 HydrophobicContact CE1-CG 3.82Å; F45-E49 PolarHBondContact O-N 3.33Å; E49-R53 VanDerWaalsContact O-CB 3.23Å; E49-R53 WeakPolarHBondContact O-CB 3.34Å; E49-R53 PolarHBondContact O-N 3.45Å
50	R	92.9	Very high	90.8	Very high	55 Å²	55	61.3 Å²	61.3	21%	0.208	28%	0.281	C	S	.	.	H	α-helix	trans	-71.3	-44.5	176.2	-171.3	176.2	74.9	-102.4	-8.9	111.9	Q46 K47 L48 R53 I54 A151	Q46-R50 PolarHBondContact O-N 2.85Å; K47-R50 CarbonylContact O-C 3.59Å; K47-R50 WeakPolarHBondContact O-CB 3.49Å; K47-R50 PolarHBondContact O-N 3.25Å; K47-R50 VanDerWaalsContact O-N 3.13Å; L48-R50 VanDerWaalsContact C-N 3.28Å; L48-R50 PolarHBondContact O-N 3.04Å; R50-R53 PolarHBondContact O-N 3.44Å; R50-I54 HydrophobicContact CG-CD1 3.81Å; R50-I54 HydrophobicContact CG-CG1 4.34Å; R50-I54 WeakPolarHBondContact O-CB 3.5Å; R50-I54 WeakPolarHBondContact O-CG1 3.49Å; R50-I54 PolarHBondContact O-N 2.88Å; R50-A151 PolarHBondContact NE-O 2.97Å; R50-A151 PolarHBondContact NH2-O 2.95Å
51	E	93.1	Very high	91.5	Very high	15 Å²	15	63.2 Å²	63.2	7%	0.07	30%	0.295	C	S	.	.	H	α-helix	trans	-56.5	-52.6	174.7	-172.8	-170.4	142.7	0	0	110	K33 K47 L48 R53 I54 C55 L78 G149	K33-E51 IonicContact NZ-OE1 3.73Å; K33-E51 PolarHBondContact NZ-OE1 3.34Å; K33-E51 IonicContact NZ-OE2 3.66Å; K33-E51 PolarHBondContact NZ-OE2 2.88Å; K33-E51 VanDerWaalsContact NZ-OE2 3.08Å; K47-E51 PolarHBondContact O-N 3.43Å; L48-E51 PolarHBondContact O-N 3.2Å; E51-R53 VanDerWaalsContact C-N 3.27Å; E51-R53 PolarHBondContact O-N 3.05Å; E51-I54 PolarHBondContact O-N 2.87Å; E51-C55 WeakPolarHBondContact O-CB 3.28Å; E51-C55 PolarHBondContact O-N 2.81Å; E51-C55 PolarHBondContact O-SG 3.03Å; E51-L78 WeakPolarHBondContact OE1-CD1 3.48Å; E51-G149 WeakPolarHBondContact OE2-CA 3.49Å
52	A	93.3	Very high	92.1	Very high	2 Å²	2	61.6 Å²	61.6	2%	0.017	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-26	179.7	0	0	0	0	0	113.4	L48 R56 L78	L48-A52 VanDerWaalsContact O-CB 3.32Å; L48-A52 WeakPolarHBondContact O-CB 3.04Å; L48-A52 PolarHBondContact O-N 3.43Å; A52-R56 VanDerWaalsContact O-CG 3.3Å; A52-R56 WeakPolarHBondContact O-CG 3.26Å; A52-R56 PolarHBondContact O-NH1 2.84Å; A52-L78 HydrophobicContact CB-CD2 3.77Å
53	R	94.6	Very high	92.6	Very high	112 Å²	112	56.9 Å²	56.9	42%	0.423	25%	0.25	S	C	.	.	H	α-helix	trans	-77.5	-42.1	172.7	-179.3	173.5	63.9	-111.4	6.1	112.2	E49 R50 E51 E153	E49-R53 VanDerWaalsContact O-CB 3.23Å; E49-R53 WeakPolarHBondContact O-CB 3.34Å; E49-R53 PolarHBondContact O-N 3.45Å; R50-R53 PolarHBondContact O-N 3.44Å; E51-R53 VanDerWaalsContact C-N 3.27Å; E51-R53 PolarHBondContact O-N 3.05Å; R53-E153 IonicContact CZ-OE2 3.08Å; R53-E153 IonicContact NE-OE1 3.39Å; R53-E153 PolarHBondContact NE-OE1 3.28Å; R53-E153 IonicContact NE-OE2 3.21Å; R53-E153 PolarHBondContact NE-OE2 3.01Å; R53-E153 IonicContact NH2-OE2 2.7Å; R53-E153 PolarHBondContact NH2-OE2 2.94Å
54	I	95.5	Very high	93.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-54.3	177.2	-75.2	173.1	0	0	0	109.9	R50 E51 R56 K57 L58 V122 F148 A151 E153	R50-I54 HydrophobicContact CG-CD1 3.81Å; R50-I54 HydrophobicContact CG-CG1 4.34Å; R50-I54 WeakPolarHBondContact O-CB 3.5Å; R50-I54 WeakPolarHBondContact O-CG1 3.49Å; R50-I54 PolarHBondContact O-N 2.88Å; E51-I54 PolarHBondContact O-N 2.87Å; I54-R56 PolarHBondContact O-N 3.05Å; I54-K57 WeakPolarHBondContact O-CB 3.41Å; I54-K57 PolarHBondContact O-N 2.82Å; I54-L58 HydrophobicContact CG2-CD1 3.66Å; I54-L58 HydrophobicContact CG2-CG 4.35Å; I54-L58 PolarHBondContact O-N 2.68Å; I54-V122 HydrophobicContact CD1-CG1 4.37Å; I54-V122 HydrophobicContact CG1-CG2 4.4Å; I54-V122 HydrophobicContact CG2-CG1 3.68Å; I54-V122 HydrophobicContact CG2-CG2 4.11Å; I54-F148 HydrophobicContact CG2-CB 4.32Å; I54-F148 HydrophobicContact CG2-CD1 3.89Å; I54-F148 HydrophobicContact CG2-CG 4.34Å; I54-A151 HydrophobicContact CD1-CB 3.83Å; I54-A151 HydrophobicContact CG2-CB 4.39Å; I54-E153 HydrophobicContact CD1-CG 4.11Å; I54-E153 HydrophobicContact CG1-CG 3.82Å
55	C	95	Very high	93.7	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.027	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-26.7	-174.5	-62.6	0	0	0	0	113.7	E51 K57 L58 L66 F80	E51-C55 WeakPolarHBondContact O-CB 3.28Å; E51-C55 PolarHBondContact O-N 2.81Å; E51-C55 PolarHBondContact O-SG 3.03Å; C55-K57 VanDerWaalsContact C-N 3.33Å; C55-K57 PolarHBondContact O-N 2.79Å; C55-L58 PolarHBondContact O-N 2.82Å; C55-L66 HydrophobicContact CB-CB 3.64Å; C55-L66 HydrophobicContact CB-CD2 3.73Å; C55-L66 HydrophobicContact CB-CG 4.29Å; C55-F80 HydrophobicContact CB-CE1 4.18Å
56	R	94.1	Very high	94.1	Very high	127 Å²	127	48.3 Å²	48.3	48%	0.479	22%	0.215	S	C	.	.	H	α-helix	trans	-62.5	-37.8	171.6	-82.2	178.2	-179.4	97	-14.5	112.5	A52 I54 Q59 L66 S69	A52-R56 VanDerWaalsContact O-CG 3.3Å; A52-R56 WeakPolarHBondContact O-CG 3.26Å; A52-R56 PolarHBondContact O-NH1 2.84Å; I54-R56 PolarHBondContact O-N 3.05Å; R56-Q59 PolarHBondContact O-NE2 3.2Å; R56-L66 HydrophobicContact CG-CD2 4.02Å; R56-S69 VanDerWaalsContact NH2-CB 3.31Å; R56-S69 PolarHBondContact NH2-OG 3.27Å; R56-S69 VanDerWaalsContact NH2-OG 3.12Å
57	K	92.3	Very high	94.3	Very high	93 Å²	93	47.3 Å²	47.3	40%	0.404	21%	0.211	S	C	.	.	H	α-helix	trans	-72.1	-31.8	179.6	-64.8	174.5	171.5	-179.7	0	112.6	I54 C55 Q59 E153	I54-K57 WeakPolarHBondContact O-CB 3.41Å; I54-K57 PolarHBondContact O-N 2.82Å; C55-K57 VanDerWaalsContact C-N 3.33Å; C55-K57 PolarHBondContact O-N 2.79Å; K57-Q59 VanDerWaalsContact C-N 3.35Å; K57-Q59 PolarHBondContact O-N 2.79Å; K57-E153 IonicContact NZ-OE1 3.72Å; K57-E153 PolarHBondContact NZ-OE1 3Å
58	L	95.8	Very high	94.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.215	C	C	.	.			trans	-86.5	66	-164.5	-65.3	-179.7	0	0	0	114.3	I54 C55 H60 I63 F116 N120 V122 F148	I54-L58 HydrophobicContact CG2-CD1 3.66Å; I54-L58 HydrophobicContact CG2-CG 4.35Å; I54-L58 PolarHBondContact O-N 2.68Å; C55-L58 PolarHBondContact O-N 2.82Å; L58-H60 PolarHBondContact O-N 3.09Å; L58-I63 HydrophobicContact CB-CD1 4.01Å; L58-I63 HydrophobicContact CB-CG2 4.3Å; L58-I63 HydrophobicContact CD1-CD1 4.49Å; L58-F116 HydrophobicContact CD2-CD1 4.18Å; L58-F116 HydrophobicContact CD2-CE1 4.32Å; L58-N120 HydrophobicContact CD2-CB 4.03Å; L58-V122 HydrophobicContact CD1-CG1 4.21Å; L58-V122 HydrophobicContact CD2-CB 4.5Å; L58-V122 HydrophobicContact CD2-CG2 4.26Å; L58-F148 HydrophobicContact CD1-CD1 3.62Å; L58-F148 HydrophobicContact CD1-CE1 3.14Å; L58-F148 HydrophobicContact CD1-CE2 4.42Å; L58-F148 HydrophobicContact CD1-CG 4.44Å; L58-F148 HydrophobicContact CD1-CZ 3.62Å
59	Q	95.2	Very high	94.6	Very high	91 Å²	91	47.9 Å²	47.9	43%	0.425	22%	0.219	S	C	.	.			trans	-87.2	75.7	-179.1	-57.6	-58.5	-26.1	0	0	112.7	R56 K57	R56-Q59 PolarHBondContact O-NE2 3.2Å; K57-Q59 VanDerWaalsContact C-N 3.35Å; K57-Q59 PolarHBondContact O-N 2.79Å
60	H	96.7	Very high	94.7	Very high	25 Å²	25	45.8 Å²	45.8	12%	0.116	21%	0.21	C	C	.	.			trans	-117.6	152.9	179.5	-163.1	-105.8	0	0	0	111.7	L58 N62 I63 R65 F116	L58-H60 PolarHBondContact O-N 3.09Å; H60-N62 PolarHBondContact CE1-OD1 3.02Å; H60-N62 PolarHBondContact ND1-N 3.48Å; H60-N62 VanDerWaalsContact ND1-N 3.14Å; H60-I63 HydrophobicContact CB-CB 4.02Å; H60-I63 HydrophobicContact CB-CD1 3.68Å; H60-I63 HydrophobicContact CB-CG1 3.78Å; H60-R65 PolarHBondContact O-NE 2.83Å; H60-R65 PolarHBondContact O-NH2 3.35Å; H60-F116 HydrophobicContact CB-CB 4.48Å; H60-F116 HydrophobicContact CB-CD1 3.76Å; H60-F116 HydrophobicContact CB-CE1 4.11Å; H60-F116 HydrophobicContact CB-CG 4.02Å; H60-F116 AromaticContact CD2-CD2 3.55Å; H60-F116 AromaticContact CD2-CG 3.48Å; H60-F116 VanDerWaalsContact CD2-CG 3.48Å; H60-F116 WeakPolarHBondContact CD2-CG 3.45Å; H60-F116 AromaticContact CG-CG 3.92Å
61	P	96.7	Very high	94.6	Very high	70 Å²	70	47.4 Å²	47.4	46%	0.455	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-49.6	167.8	18.4	-31.2	0	0	0	112.8	I63 K144	P61-I63 VanDerWaalsContact C-N 3.25Å; P61-I63 PolarHBondContact O-N 2.96Å; P61-K144 VanDerWaalsContact O-CE 3.32Å; P61-K144 WeakPolarHBondContact O-CE 3.49Å; P61-K144 PolarHBondContact O-NZ 2.98Å
62	N	96.8	Very high	94.5	Very high	10 Å²	10	51.9 Å²	51.9	5%	0.053	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	24.2	-175.6	-52.1	83.7	0	0	0	114.4	H60 Q109 S113 V143 K144 L145	H60-N62 PolarHBondContact CE1-OD1 3.02Å; H60-N62 PolarHBondContact ND1-N 3.48Å; H60-N62 VanDerWaalsContact ND1-N 3.14Å; N62-Q109 WeakPolarHBondContact CB-O 3.42Å; N62-Q109 WeakPolarHBondContact ND2-CB 3.46Å; N62-Q109 PolarHBondContact ND2-OE1 3.29Å; N62-S113 VanDerWaalsContact O-CB 3.31Å; N62-S113 WeakPolarHBondContact O-CB 3.43Å; N62-V143 WeakPolarHBondContact CA-O 3.47Å; N62-V143 VanDerWaalsContact CB-O 3.28Å; N62-V143 WeakPolarHBondContact CB-O 3.07Å; N62-V143 PolarHBondContact ND2-O 3.31Å; N62-K144 WeakPolarHBondContact O-CA 3.16Å; N62-L145 PolarHBondContact O-N 2.96Å
63	I	97.3	Very high	94.3	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-122.8	145.4	169.9	-65.2	176.7	0	0	0	107.8	L58 H60 P61 R65 F116 K144 L145 F148	L58-I63 HydrophobicContact CB-CD1 4.01Å; L58-I63 HydrophobicContact CB-CG2 4.3Å; L58-I63 HydrophobicContact CD1-CD1 4.49Å; H60-I63 HydrophobicContact CB-CB 4.02Å; H60-I63 HydrophobicContact CB-CD1 3.68Å; H60-I63 HydrophobicContact CB-CG1 3.78Å; P61-I63 VanDerWaalsContact C-N 3.25Å; P61-I63 PolarHBondContact O-N 2.96Å; I63-R65 PolarHBondContact O-N 2.85Å; I63-F116 HydrophobicContact CD1-CD1 4.12Å; I63-K144 PolarHBondContact O-NZ 3.39Å; I63-L145 HydrophobicContact CG1-CB 4.49Å; I63-F148 HydrophobicContact CD1-CZ 4.35Å; I63-F148 HydrophobicContact CG2-CE2 3.76Å; I63-F148 HydrophobicContact CG2-CZ 3.88Å
64	V	96.5	Very high	94	Very high	15 Å²	15	54.4 Å²	54.4	9%	0.091	26%	0.259	C	S	.	.			trans	-71.6	102.4	168.1	176.2	0	0	0	0	108.4	F80 D81 V83 K144 L145 A146	V64-F80 HydrophobicContact CG1-CB 3.83Å; V64-F80 HydrophobicContact CG1-CD1 3.95Å; V64-F80 HydrophobicContact CG1-CG 4.19Å; V64-D81 HydrophobicContact CG1-CB 4.24Å; V64-V83 HydrophobicContact CG2-CG1 4.02Å; V64-K144 HydrophobicContact CG2-CB 3.87Å; V64-K144 HydrophobicContact CG2-CD 4.43Å; V64-L145 WeakPolarHBondContact CG2-O 3.49Å; V64-L145 PolarHBondContact N-O 2.96Å; V64-A146 HydrophobicContact CB-CB 4.49Å; V64-A146 HydrophobicContact CG2-CB 3.89Å
65	R	95.6	Very high	93.8	Very high	86 Å²	86	58.1 Å²	58.1	33%	0.325	28%	0.275	S	S	.	.			trans	-73.5	140.9	-171.8	-59.9	175.2	-175	-179.7	0.7	111.5	H60 I63 H67 F80 D81	H60-R65 PolarHBondContact O-NE 2.83Å; H60-R65 PolarHBondContact O-NH2 3.35Å; I63-R65 PolarHBondContact O-N 2.85Å; R65-H67 PolarHBondContact O-CD2 2.96Å; R65-F80 CarbonylContact O-C 3.59Å; R65-F80 WeakPolarHBondContact O-CA 3.49Å; R65-D81 PolarHBondContact N-OD2 2.85Å; R65-D81 PolarHBondContact O-N 2.9Å
66	L	95.7	Very high	93.7	Very high	6 Å²	6	58.7 Å²	58.7	3%	0.031	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	120.2	167.4	-177.6	70.5	0	0	0	109.1	C55 R56 D68 L78 F80	C55-L66 HydrophobicContact CB-CB 3.64Å; C55-L66 HydrophobicContact CB-CD2 3.73Å; C55-L66 HydrophobicContact CB-CG 4.29Å; R56-L66 HydrophobicContact CG-CD2 4.02Å; L66-D68 WeakPolarHBondContact CD1-O 3.41Å; L66-L78 HydrophobicContact CD1-CB 3.79Å; L66-L78 HydrophobicContact CD1-CD2 4.43Å; L66-F80 HydrophobicContact CB-CD1 4.02Å; L66-F80 HydrophobicContact CB-CE1 3.88Å; L66-F80 HydrophobicContact CD1-CD1 4.04Å; L66-F80 HydrophobicContact CD1-CD2 4.26Å; L66-F80 HydrophobicContact CD1-CE1 3.85Å; L66-F80 HydrophobicContact CD1-CE2 4.08Å; L66-F80 HydrophobicContact CD1-CG 4.26Å; L66-F80 HydrophobicContact CD1-CZ 3.87Å; L66-F80 HydrophobicContact CG-CE1 4.43Å
67	H	94	Very high	93.6	Very high	102 Å²	102	54.7 Å²	54.7	47%	0.472	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-41.7	178.6	-66.6	-99.4	0	0	0	111.8	F30 R65 V79 D81	F30-H67 AromaticContact CD1-CD2 3.91Å; F30-H67 HydrophobicContact CE1-CB 4.25Å; F30-H67 AromaticContact CE1-CD2 3.88Å; F30-H67 AromaticContact CE1-CE1 3.87Å; F30-H67 AromaticContact CE1-CG 3.68Å; F30-H67 AromaticContact CE1-ND1 3.69Å; F30-H67 AromaticContact CE1-NE2 3.99Å; R65-H67 PolarHBondContact O-CD2 2.96Å; H67-V79 PolarHBondContact N-O 2.83Å; H67-D81 IonicContact CD2-OD1 2.73Å; H67-D81 IonicContact CE1-OD1 3.89Å; H67-D81 IonicContact NE2-OD1 2.68Å; H67-D81 PolarHBondContact NE2-OD1 3.29Å
68	D	92.7	Very high	93.7	Very high	80 Å²	80	50.3 Å²	50.3	43%	0.428	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	158.3	-177.9	-159.6	-2.7	0	0	0	111.7	L66 I70 V79	L66-D68 WeakPolarHBondContact CD1-O 3.41Å; D68-I70 WeakPolarHBondContact OD2-CG1 3.47Å; D68-V79 HydrophobicContact CB-CB 4.08Å; D68-V79 HydrophobicContact CB-CG2 4.21Å; D68-V79 PolarHBondContact N-O 3.47Å; D68-V79 PolarHBondContact O-N 2.85Å
69	S	93	Very high	93.6	Very high	17 Å²	17	50.5 Å²	50.5	12%	0.119	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	94.2	-178.4	149.9	0	0	0	0	109.5	R56 H76 Y77	R56-S69 VanDerWaalsContact NH2-CB 3.31Å; R56-S69 PolarHBondContact NH2-OG 3.27Å; R56-S69 VanDerWaalsContact NH2-OG 3.12Å; S69-H76 PolarHBondContact OG-NE2 2.83Å; S69-Y77 CarbonylContact C-O 3.46Å; S69-Y77 VanDerWaalsContact CA-O 3.29Å; S69-Y77 WeakPolarHBondContact CA-O 3.42Å
70	I	92.7	Very high	93.6	Very high	50 Å²	50	47.1 Å²	47.1	26%	0.256	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.3	-169	-49	172.6	0	0	0	109.8	L2 D68 E72 H76 Y77	L2-I70 HydrophobicContact CD1-CD1 3.88Å; D68-I70 WeakPolarHBondContact OD2-CG1 3.47Å; I70-E72 HydrophobicContact CG2-CG 4.15Å; I70-H76 WeakPolarHBondContact O-CA 3.34Å; I70-H76 PolarHBondContact O-CD2 2.86Å; I70-Y77 PolarHBondContact N-O 2.59Å; I70-Y77 PolarHBondContact O-N 3.41Å
71	Q	90.6	Very high	93.5	Very high	90 Å²	90	47.3 Å²	47.3	42%	0.421	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.4	172.6	178.4	67.6	80.1	0	0	109.4	F75 H76	Q71-F75 PolarHBondContact NE2-O 3.28Å; Q71-H76 PolarHBondContact OE1-ND1 2.9Å
72	E	90.3	Very high	93.4	Very high	108 Å²	108	45.6 Å²	45.6	51%	0.505	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	-178.2	171.9	-58.3	-171.3	161.8	0	0	110.2	I70 G74 F75 Y77	I70-E72 HydrophobicContact CG2-CG 4.15Å; E72-G74 PolarHBondContact O-N 2.87Å; E72-F75 PolarHBondContact N-O 2.99Å; E72-F75 PolarHBondContact O-N 3.23Å; E72-Y77 HydrophobicContact CB-CE2 4.07Å; E72-Y77 HydrophobicContact CG-CD2 4.25Å; E72-Y77 HydrophobicContact CG-CE2 3.85Å; E72-Y77 WeakPolarHBondContact OE2-CE2 3.5Å; E72-Y77 PolarHBondContact OE2-OH 2.63Å
73	E	88.7	Confident	93.2	Very high	159 Å²	159	46.4 Å²	46.4	74%	0.743	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	103.1	-178.3	-160.4	-141.6	115.8	0	0	111.8	K38 F75	K38-E73 WeakPolarHBondContact CE-OE1 3.45Å; K38-E73 IonicContact NZ-OE1 2.82Å; K38-E73 PolarHBondContact NZ-OE1 2.81Å; E73-F75 VanDerWaalsContact C-N 3.31Å; E73-F75 PolarHBondContact O-N 2.72Å
74	G	88.6	Confident	92.9	Very high	8 Å²	8	50 Å²	50	8%	0.082	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	0.9	178.1	0	0	0	0	0	116.2	N36 T37 E72	N36-G74 CarbonylContact C-O 3.58Å; T37-G74 PolarHBondContact N-O 2.91Å; T37-G74 VanDerWaalsContact OG1-CA 3.24Å; T37-G74 WeakPolarHBondContact OG1-CA 3.42Å; T37-G74 PolarHBondContact OG1-O 2.85Å; E72-G74 PolarHBondContact O-N 2.87Å
75	F	91.6	Very high	92.7	Very high	79 Å²	79	49.3 Å²	49.3	35%	0.346	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	139.5	176.8	-67.7	-80.5	0	0	0	111.8	I34 I35 N36 Q71 E72 E73 Y77	I34-F75 HydrophobicContact CG2-CD1 3.96Å; I35-F75 CarbonylContact O-C 3.57Å; I35-F75 VanDerWaalsContact O-CA 3.29Å; I35-F75 WeakPolarHBondContact O-CA 3.46Å; N36-F75 HydrophobicContact CB-CD1 4.27Å; N36-F75 HydrophobicContact CB-CE1 3.96Å; Q71-F75 PolarHBondContact NE2-O 3.28Å; E72-F75 PolarHBondContact N-O 2.99Å; E72-F75 PolarHBondContact O-N 3.23Å; E73-F75 VanDerWaalsContact C-N 3.31Å; E73-F75 PolarHBondContact O-N 2.72Å; F75-Y77 HydrophobicContact CB-CD2 4.46Å; F75-Y77 HydrophobicContact CB-CE2 3.61Å
76	H	92.1	Very high	92.4	Very high	16 Å²	16	46.8 Å²	46.8	7%	0.074	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.5	169.6	-157.2	146.6	0	0	0	108	I35 T37 L48 S69 I70 Q71	I35-H76 PolarHBondContact N-O 3.37Å; I35-H76 PolarHBondContact O-N 2.91Å; T37-H76 HydrophobicContact CG2-CB 3.77Å; L48-H76 HydrophobicContact CD2-CB 3.91Å; S69-H76 PolarHBondContact OG-NE2 2.83Å; I70-H76 WeakPolarHBondContact O-CA 3.34Å; I70-H76 PolarHBondContact O-CD2 2.86Å; Q71-H76 PolarHBondContact OE1-ND1 2.9Å
77	Y	93.1	Very high	92	Very high	43 Å²	43	49 Å²	49	17%	0.169	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.2	179.7	-56.1	-103.1	0	0	0	108.5	I34 S69 I70 E72 F75	I34-Y77 HydrophobicContact CB-CD1 4.37Å; I34-Y77 HydrophobicContact CB-CE1 4.44Å; I34-Y77 HydrophobicContact CD1-CD1 4.33Å; I34-Y77 HydrophobicContact CD1-CE1 4.09Å; I34-Y77 HydrophobicContact CG1-CD1 3.84Å; I34-Y77 HydrophobicContact CG1-CE1 4.03Å; I34-Y77 HydrophobicContact CG2-CD1 4.04Å; I34-Y77 HydrophobicContact CG2-CE1 3.72Å; S69-Y77 CarbonylContact C-O 3.46Å; S69-Y77 VanDerWaalsContact CA-O 3.29Å; S69-Y77 WeakPolarHBondContact CA-O 3.42Å; I70-Y77 PolarHBondContact N-O 2.59Å; I70-Y77 PolarHBondContact O-N 3.41Å; E72-Y77 HydrophobicContact CB-CE2 4.07Å; E72-Y77 HydrophobicContact CG-CD2 4.25Å; E72-Y77 HydrophobicContact CG-CE2 3.85Å; E72-Y77 WeakPolarHBondContact OE2-CE2 3.5Å; E72-Y77 PolarHBondContact OE2-OH 2.63Å; F75-Y77 HydrophobicContact CB-CD2 4.46Å; F75-Y77 HydrophobicContact CB-CE2 3.61Å
78	L	93.7	Very high	91.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119.4	167.4	-58.6	-174.8	0	0	0	108.3	A32 K33 I35 L48 E51 A52 L66 F80	A32-L78 CarbonylContact C-O 3.5Å; A32-L78 WeakPolarHBondContact CA-O 3.24Å; K33-L78 HydrophobicContact CB-CB 4.32Å; K33-L78 PolarHBondContact N-O 2.88Å; K33-L78 PolarHBondContact O-N 2.8Å; I35-L78 HydrophobicContact CD1-CD1 4.19Å; I35-L78 HydrophobicContact CD1-CG 4.03Å; L48-L78 HydrophobicContact CD1-CD1 3.82Å; L48-L78 HydrophobicContact CD1-CD2 4.48Å; L48-L78 HydrophobicContact CD1-CG 4.27Å; E51-L78 WeakPolarHBondContact OE1-CD1 3.48Å; A52-L78 HydrophobicContact CB-CD2 3.77Å; L66-L78 HydrophobicContact CD1-CB 3.79Å; L66-L78 HydrophobicContact CD1-CD2 4.43Å; L78-F80 HydrophobicContact CB-CD2 4.15Å; L78-F80 HydrophobicContact CB-CE2 3.46Å; L78-F80 VanDerWaalsContact CB-CE2 3.46Å; L78-F80 HydrophobicContact CB-CZ 4.08Å; L78-F80 HydrophobicContact CD1-CE2 4.3Å; L78-F80 HydrophobicContact CD1-CZ 4.3Å; L78-F80 WeakPolarHBondContact O-CD2 3.49Å
79	V	94.6	Very high	91	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.024	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	108.4	-169.3	-174.7	0	0	0	0	109.5	L2 F30 H67 D68	L2-V79 HydrophobicContact CD1-CG1 4.42Å; L2-V79 HydrophobicContact CD1-CG2 3.76Å; F30-V79 HydrophobicContact CB-CG1 3.6Å; F30-V79 HydrophobicContact CD1-CG1 4.22Å; F30-V79 HydrophobicContact CG-CG1 3.89Å; H67-V79 PolarHBondContact N-O 2.83Å; D68-V79 HydrophobicContact CB-CB 4.08Å; D68-V79 HydrophobicContact CB-CG2 4.21Å; D68-V79 PolarHBondContact N-O 3.47Å; D68-V79 PolarHBondContact O-N 2.85Å
80	F	94.8	Very high	90.4	Very high	21 Å²	21	44.4 Å²	44.4	9%	0.092	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	166.5	-171.5	-68.5	-85.7	0	0	0	113.4	F30 A31 K33 C55 V64 R65 L66 L78 L82	F30-F80 WeakPolarHBondContact CB-O 3.3Å; A31-F80 PolarHBondContact N-O 3.02Å; A31-F80 PolarHBondContact O-N 3.47Å; K33-F80 HydrophobicContact CB-CD2 4.27Å; K33-F80 HydrophobicContact CB-CE2 3.98Å; K33-F80 HydrophobicContact CD-CE2 4.13Å; C55-F80 HydrophobicContact CB-CE1 4.18Å; V64-F80 HydrophobicContact CG1-CB 3.83Å; V64-F80 HydrophobicContact CG1-CD1 3.95Å; V64-F80 HydrophobicContact CG1-CG 4.19Å; R65-F80 CarbonylContact O-C 3.59Å; R65-F80 WeakPolarHBondContact O-CA 3.49Å; L66-F80 HydrophobicContact CB-CD1 4.02Å; L66-F80 HydrophobicContact CB-CE1 3.88Å; L66-F80 HydrophobicContact CD1-CD1 4.04Å; L66-F80 HydrophobicContact CD1-CD2 4.26Å; L66-F80 HydrophobicContact CD1-CE1 3.85Å; L66-F80 HydrophobicContact CD1-CE2 4.08Å; L66-F80 HydrophobicContact CD1-CG 4.26Å; L66-F80 HydrophobicContact CD1-CZ 3.87Å; L66-F80 HydrophobicContact CG-CE1 4.43Å; L78-F80 HydrophobicContact CB-CD2 4.15Å; L78-F80 HydrophobicContact CB-CE2 3.46Å; L78-F80 VanDerWaalsContact CB-CE2 3.46Å; L78-F80 HydrophobicContact CB-CZ 4.08Å; L78-F80 HydrophobicContact CD1-CE2 4.3Å; L78-F80 HydrophobicContact CD1-CZ 4.3Å; L78-F80 WeakPolarHBondContact O-CD2 3.49Å; F80-L82 PolarHBondContact O-N 2.79Å
81	D	94.5	Very high	89.9	Confident	28 Å²	28	43.5 Å²	43.5	15%	0.15	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-44.8	129.6	162.6	-72.7	-24.2	0	0	0	111	V64 R65 H67 V83 K144	V64-D81 HydrophobicContact CG1-CB 4.24Å; R65-D81 PolarHBondContact N-OD2 2.85Å; R65-D81 PolarHBondContact O-N 2.9Å; H67-D81 IonicContact CD2-OD1 2.73Å; H67-D81 IonicContact CE1-OD1 3.89Å; H67-D81 IonicContact NE2-OD1 2.68Å; H67-D81 PolarHBondContact NE2-OD1 3.29Å; D81-V83 PolarHBondContact O-N 3.11Å; D81-V83 VanDerWaalsContact O-N 3.12Å; D81-K144 IonicContact OD2-NZ 2.7Å; D81-K144 PolarHBondContact OD2-NZ 2.83Å
82	L	93.9	Very high	89.3	Confident	35 Å²	35	39.5 Å²	39.5	18%	0.183	20%	0.203	C	C	.	.			trans	-78.1	94.9	169.7	-176.7	66.4	0	0	0	110.3	F10 R20 E29 A31 F80 T84	F10-L82 HydrophobicContact CE1-CD1 4.4Å; F10-L82 HydrophobicContact CZ-CD1 4.47Å; R20-L82 HydrophobicContact CB-CD1 4.33Å; R20-L82 HydrophobicContact CG-CD1 4.07Å; R20-L82 HydrophobicContact CG-CD2 3.82Å; E29-L82 HydrophobicContact CB-CD2 3.7Å; A31-L82 HydrophobicContact CB-CD1 4.15Å; F80-L82 PolarHBondContact O-N 2.79Å; L82-T84 HydrophobicContact CD2-CG2 4.3Å; L82-T84 HydrophobicContact CG-CG2 3.98Å
83	V	93	Very high	88.5	Confident	26 Å²	26	37.3 Å²	37.3	16%	0.158	20%	0.197	C	C	.	.			trans	-81.8	135.3	170	-64	0	0	0	0	111	V64 D81 L133 K144	V64-V83 HydrophobicContact CG2-CG1 4.02Å; D81-V83 PolarHBondContact O-N 3.11Å; D81-V83 VanDerWaalsContact O-N 3.12Å; V83-L133 HydrophobicContact CG2-CB 4.16Å; V83-L133 HydrophobicContact CG2-CD1 3.71Å; V83-K144 HydrophobicContact CG1-CD 3.57Å
84	T	92.3	Very high	87.9	Confident	78 Å²	78	33.6 Å²	33.6	48%	0.479	19%	0.193	S	C	.	.			trans	-127.8	-1.4	-171.5	56.7	0	0	0	0	114.1	L82 G86 A135 S136	L82-T84 HydrophobicContact CD2-CG2 4.3Å; L82-T84 HydrophobicContact CG-CG2 3.98Å; T84-G86 VanDerWaalsContact C-N 3.33Å; T84-A135 PolarHBondContact N-O 3.01Å; T84-A135 PolarHBondContact OG1-O 3.08Å; T84-S136 WeakPolarHBondContact OG1-CA 3.37Å
85	G	91.2	Very high	87.3	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-78.9	-9.4	179.3	0	0	0	0	0	115	L134 S136 K137	G85-L134 WeakPolarHBondContact CA-O 3.33Å; G85-L134 PolarHBondContact N-O 3.49Å; G85-S136 WeakPolarHBondContact CA-O 3.1Å; G85-K137 WeakPolarHBondContact O-CD 3.43Å; G85-K137 WeakPolarHBondContact O-CE 3.4Å; G85-K137 PolarHBondContact O-NZ 2.92Å
86	G	89.3	Confident	86.4	Confident	32 Å²	32	41.7 Å²	41.7	33%	0.33	23%	0.226	S	C	.	.			trans	74.3	-161.9	-172.5	0	0	0	0	0	112.2	T84 L133 L134	T84-G86 VanDerWaalsContact C-N 3.33Å; G86-L133 WeakPolarHBondContact O-CA 3.37Å; G86-L134 PolarHBondContact O-N 2.56Å
87	E	87.1	Confident	85.6	Confident	52 Å²	52	47 Å²	47	24%	0.243	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-75.2	142.2	177.3	-63.8	178.4	-152.1	0	0	110.8	F89 E90 D91 L133	E87-F89 PolarHBondContact O-N 3.18Å; E87-E90 HydrophobicContact CB-CG 4.21Å; E87-E90 PolarHBondContact O-N 3.28Å; E87-D91 PolarHBondContact O-N 3.47Å; E87-L133 HydrophobicContact CG-CD2 3.91Å
88	L	86.7	Confident	85	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.5	-41.6	177.7	171.1	61.2	0	0	0	111.5	D91 I92 C106 I110 L132 L134 V143 L216	L88-D91 WeakPolarHBondContact O-CB 3.29Å; L88-D91 PolarHBondContact O-N 3.21Å; L88-I92 HydrophobicContact CD1-CD1 4.04Å; L88-I92 HydrophobicContact CD1-CG1 4.29Å; L88-I92 HydrophobicContact CG-CD1 3.93Å; L88-I92 WeakPolarHBondContact O-CG1 3.29Å; L88-I92 PolarHBondContact O-N 3.33Å; L88-C106 HydrophobicContact CD2-CB 4.34Å; L88-I110 HydrophobicContact CD2-CD1 4.32Å; L88-L132 HydrophobicContact CB-CB 4.24Å; L88-L132 WeakPolarHBondContact CB-O 3.47Å; L88-L132 HydrophobicContact CD2-CB 4.4Å; L88-L132 PolarHBondContact N-O 2.9Å; L88-L134 HydrophobicContact CD1-CD1 4.44Å; L88-L134 HydrophobicContact CD1-CD2 4.06Å; L88-L134 HydrophobicContact CD1-CG 4.3Å; L88-V143 HydrophobicContact CD1-CG2 4.13Å; L88-V143 HydrophobicContact CD2-CG1 4.09Å; L88-V143 HydrophobicContact CD2-CG2 4.2Å; L88-L216 HydrophobicContact CD2-CD2 4.26Å
89	F	79.6	Confident	84.5	Confident	3 Å²	3	46 Å²	46	1%	0.013	25%	0.247	C	C	.	.	H	α-helix	trans	-71.1	-34.7	-175.7	-79.8	-87.4	0	0	0	113	E87 D91 I92 V93 P129 L132 I212 I215 L216 Y303	E87-F89 PolarHBondContact O-N 3.18Å; F89-D91 VanDerWaalsContact C-N 3.31Å; F89-D91 PolarHBondContact O-N 2.99Å; F89-I92 PolarHBondContact O-N 3Å; F89-V93 WeakPolarHBondContact O-CG2 3.46Å; F89-V93 PolarHBondContact O-N 3.34Å; F89-V93 VanDerWaalsContact O-N 3.14Å; F89-P129 HydrophobicContact CB-CB 4.48Å; F89-P129 HydrophobicContact CD2-CB 3.43Å; F89-P129 VanDerWaalsContact CD2-CB 3.43Å; F89-P129 HydrophobicContact CD2-CG 3.93Å; F89-P129 HydrophobicContact CE2-CB 3.78Å; F89-P129 HydrophobicContact CE2-CG 3.8Å; F89-P129 HydrophobicContact CG-CB 3.98Å; F89-P129 HydrophobicContact CG-CG 4.43Å; F89-P129 HydrophobicContact CZ-CG 4.21Å; F89-L132 HydrophobicContact CE2-CD1 4.17Å; F89-I212 HydrophobicContact CE2-CG2 4.39Å; F89-I212 HydrophobicContact CZ-CG2 4.22Å; F89-I215 HydrophobicContact CD1-CG2 3.9Å; F89-I215 HydrophobicContact CE1-CB 3.62Å; F89-I215 HydrophobicContact CE1-CG2 3.47Å; F89-I215 VanDerWaalsContact CE1-CG2 3.47Å; F89-I215 HydrophobicContact CZ-CB 4.06Å; F89-I215 HydrophobicContact CZ-CG2 4.31Å; F89-L216 HydrophobicContact CE1-CD2 3.67Å; F89-L216 HydrophobicContact CE1-CG 4.18Å; F89-L216 HydrophobicContact CE2-CD2 4.13Å; F89-L216 HydrophobicContact CZ-CD2 3.47Å; F89-L216 VanDerWaalsContact CZ-CD2 3.47Å; F89-L216 HydrophobicContact CZ-CG 3.83Å; F89-Y303 HydrophobicContact CB-CE1 4.24Å
90	E	79	Confident	84.1	Confident	101 Å²	101	46.5 Å²	46.5	47%	0.472	25%	0.25	S	C	.	.	H	α-helix	trans	-60.9	-39.7	169.8	-71.5	-169.8	136.9	0	0	112.1	E87 V93 A94	E87-E90 HydrophobicContact CB-CG 4.21Å; E87-E90 PolarHBondContact O-N 3.28Å; E90-V93 PolarHBondContact O-N 2.9Å; E90-A94 PolarHBondContact O-N 3.37Å
91	D	83.6	Confident	83.7	Confident	31 Å²	31	46.8 Å²	46.8	17%	0.166	26%	0.256	C	S	.	.	H	α-helix	trans	-68.4	-38.9	178.9	-168.5	83.8	0	0	0	112.1	E87 L88 F89 V93 A94 R95 L134 K137	E87-D91 PolarHBondContact O-N 3.47Å; L88-D91 WeakPolarHBondContact O-CB 3.29Å; L88-D91 PolarHBondContact O-N 3.21Å; F89-D91 VanDerWaalsContact C-N 3.31Å; F89-D91 PolarHBondContact O-N 2.99Å; D91-V93 VanDerWaalsContact C-N 3.35Å; D91-V93 PolarHBondContact O-N 2.87Å; D91-A94 PolarHBondContact O-N 2.92Å; D91-A94 VanDerWaalsContact O-N 3.14Å; D91-R95 WeakPolarHBondContact O-CG 3.19Å; D91-R95 PolarHBondContact O-N 3.29Å; D91-R95 IonicContact OD2-CZ 3.89Å; D91-R95 VanDerWaalsContact OD2-CZ 3.28Å; D91-R95 IonicContact OD2-NE 2.94Å; D91-R95 PolarHBondContact OD2-NE 3.37Å; D91-R95 IonicContact OD2-NH2 3.22Å; D91-R95 PolarHBondContact OD2-NH2 3.42Å; D91-L134 HydrophobicContact CB-CD1 3.36Å; D91-L134 VanDerWaalsContact CG-CD1 3.44Å; D91-K137 IonicContact OD1-NZ 3.21Å
92	I	78	Confident	83.2	Confident	5 Å²	5	47.8 Å²	47.8	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-44	174.9	-66.7	169.9	0	0	0	110.8	L88 F89 A94 R95 Y98 L216	L88-I92 HydrophobicContact CD1-CD1 4.04Å; L88-I92 HydrophobicContact CD1-CG1 4.29Å; L88-I92 HydrophobicContact CG-CD1 3.93Å; L88-I92 WeakPolarHBondContact O-CG1 3.29Å; L88-I92 PolarHBondContact O-N 3.33Å; F89-I92 PolarHBondContact O-N 3Å; I92-A94 PolarHBondContact O-N 2.98Å; I92-R95 PolarHBondContact O-N 3.43Å; I92-Y98 HydrophobicContact CB-CE2 4.34Å; I92-Y98 HydrophobicContact CD1-CE2 3.99Å; I92-Y98 WeakPolarHBondContact CD1-OH 3.45Å; I92-Y98 HydrophobicContact CG1-CD2 4.28Å; I92-Y98 HydrophobicContact CG1-CE2 3.62Å; I92-Y98 HydrophobicContact CG2-CD1 4.39Å; I92-Y98 HydrophobicContact CG2-CD2 4Å; I92-Y98 HydrophobicContact CG2-CE1 4.34Å; I92-Y98 HydrophobicContact CG2-CE2 3.97Å; I92-Y98 HydrophobicContact CG2-CG 4.2Å; I92-L216 HydrophobicContact CD1-CD2 3.33Å
93	V	74	Confident	82.9	Confident	63 Å²	63	46.1 Å²	46.1	38%	0.382	25%	0.253	S	S	.	.	H	α-helix	trans	-62.9	-28.8	176	176.7	0	0	0	0	112.4	F89 E90 D91 L298 Y303	F89-V93 WeakPolarHBondContact O-CG2 3.46Å; F89-V93 PolarHBondContact O-N 3.34Å; F89-V93 VanDerWaalsContact O-N 3.14Å; E90-V93 PolarHBondContact O-N 2.9Å; D91-V93 VanDerWaalsContact C-N 3.35Å; D91-V93 PolarHBondContact O-N 2.87Å; V93-L298 HydrophobicContact CG1-CB 4.5Å; V93-L298 HydrophobicContact CG2-CB 3.78Å; V93-L298 HydrophobicContact CG2-CD1 3.75Å; V93-L298 HydrophobicContact CG2-CG 4.28Å; V93-Y303 HydrophobicContact CG2-CE2 3.78Å
94	A	75.6	Confident	82.8	Confident	81 Å²	81	44.9 Å²	44.9	67%	0.669	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-3.2	-179.5	0	0	0	0	0	114.5	E90 D91 I92	E90-A94 PolarHBondContact O-N 3.37Å; D91-A94 PolarHBondContact O-N 2.92Å; D91-A94 VanDerWaalsContact O-N 3.14Å; I92-A94 PolarHBondContact O-N 2.98Å
95	R	76.1	Confident	82.6	Confident	87 Å²	87	45.1 Å²	45.1	33%	0.328	24%	0.244	S	C	.	.			trans	-88.8	135	-179.4	-72.2	169.6	-168.9	-157	8.8	112.1	D91 I92 F97 D102	D91-R95 WeakPolarHBondContact O-CG 3.19Å; D91-R95 PolarHBondContact O-N 3.29Å; D91-R95 IonicContact OD2-CZ 3.89Å; D91-R95 VanDerWaalsContact OD2-CZ 3.28Å; D91-R95 IonicContact OD2-NE 2.94Å; D91-R95 PolarHBondContact OD2-NE 3.37Å; D91-R95 IonicContact OD2-NH2 3.22Å; D91-R95 PolarHBondContact OD2-NH2 3.42Å; I92-R95 PolarHBondContact O-N 3.43Å; R95-F97 VanDerWaalsContact C-N 3.3Å; R95-D102 IonicContact NH1-OD1 3.01Å; R95-D102 PolarHBondContact NH1-OD1 2.82Å
96	E	72.4	Confident	82.6	Confident	170 Å²	170	45.5 Å²	45.5	79%	0.794	25%	0.246	S	C	*	.	S	Bend	trans	-67.6	-31.2	170.9	-171.9	-177.8	-169.8	0	0	112.4
97	F	75.1	Confident	82.6	Confident	128 Å²	128	44 Å²	44	56%	0.561	23%	0.231	S	C	*	.			trans	-131.8	132.6	179.2	-57.8	-80	0	0	0	110.5	R95 T292	R95-F97 VanDerWaalsContact C-N 3.3Å; F97-T292 HydrophobicContact CD1-CG2 4.49Å
98	Y	79.6	Confident	82.9	Confident	5 Å²	5	43.9 Å²	43.9	2%	0.02	23%	0.23	C	C	.	.			trans	-144.5	143.5	171.7	-165	-96	0	0	0	109.2	I92 D102 A103 L216 L293 Y295	I92-Y98 HydrophobicContact CB-CE2 4.34Å; I92-Y98 HydrophobicContact CD1-CE2 3.99Å; I92-Y98 WeakPolarHBondContact CD1-OH 3.45Å; I92-Y98 HydrophobicContact CG1-CD2 4.28Å; I92-Y98 HydrophobicContact CG1-CE2 3.62Å; I92-Y98 HydrophobicContact CG2-CD1 4.39Å; I92-Y98 HydrophobicContact CG2-CD2 4Å; I92-Y98 HydrophobicContact CG2-CE1 4.34Å; I92-Y98 HydrophobicContact CG2-CE2 3.97Å; I92-Y98 HydrophobicContact CG2-CG 4.2Å; Y98-D102 HydrophobicContact CD1-CB 4.36Å; Y98-D102 HydrophobicContact CD2-CB 3.58Å; Y98-D102 HydrophobicContact CE1-CB 4.2Å; Y98-D102 HydrophobicContact CE2-CB 3.37Å; Y98-D102 HydrophobicContact CG-CB 4.09Å; Y98-A103 HydrophobicContact CE1-CB 3.94Å; Y98-A103 VanDerWaalsContact OH-CA 3.31Å; Y98-A103 WeakPolarHBondContact OH-CA 3.3Å; Y98-A103 PolarHBondContact OH-N 3.11Å; Y98-L216 VanDerWaalsContact CE1-O 3.28Å; Y98-L216 WeakPolarHBondContact CE1-O 3.23Å; Y98-L293 PolarHBondContact O-N 2.98Å; Y98-Y295 AromaticContact CD1-CE2 3.9Å; Y98-Y295 HydrophobicContact CD1-CE2 3.9Å; Y98-Y295 HydrophobicContact CG-CE2 4.44Å
99	S	84.1	Confident	83.2	Confident	15 Å²	15	45.2 Å²	45.2	11%	0.105	24%	0.236	C	C	.	.			trans	-138.5	170.4	-171	69.2	0	0	0	0	112.4	A101 D102 A103	S99-A101 PolarHBondContact O-N 3.06Å; S99-A101 PolarHBondContact OG-N 3.03Å; S99-D102 WeakPolarHBondContact CB-OD2 3.47Å; S99-D102 PolarHBondContact N-OD2 3.26Å; S99-D102 WeakPolarHBondContact O-CB 3.43Å; S99-D102 PolarHBondContact O-N 3.23Å; S99-D102 VanDerWaalsContact O-N 3.15Å; S99-D102 PolarHBondContact OG-N 3.04Å; S99-D102 PolarHBondContact OG-OD2 2.75Å; S99-A103 PolarHBondContact O-N 3.04Å
100	E	86	Confident	83.8	Confident	15 Å²	15	45.1 Å²	45.1	7%	0.07	24%	0.236	C	C	.	.	H	α-helix	trans	-57.9	-30.3	169.1	-76.4	-165.7	-135.4	0	0	112.9	A103 S104 L217 V250 T251 W280	E100-A103 PolarHBondContact O-N 3.43Å; E100-S104 WeakPolarHBondContact O-CB 3.31Å; E100-S104 PolarHBondContact O-N 2.91Å; E100-L217 HydrophobicContact CG-CD2 3.87Å; E100-V250 VanDerWaalsContact OE1-CA 3.25Å; E100-V250 WeakPolarHBondContact OE1-CA 3.38Å; E100-T251 PolarHBondContact OE1-N 3.02Å; E100-T251 WeakPolarHBondContact OE2-CB 3.32Å; E100-T251 WeakPolarHBondContact OE2-CG2 3.47Å; E100-T251 PolarHBondContact OE2-OG1 3.18Å; E100-W280 HydrophobicContact CB-CZ2 3.92Å; E100-W280 HydrophobicContact CG-CZ2 4.21Å; E100-W280 WeakPolarHBondContact O-CZ2 3.33Å; E100-W280 PolarHBondContact OE2-NE1 2.99Å
101	A	85.7	Confident	84.5	Confident	28 Å²	28	40.3 Å²	40.3	23%	0.231	21%	0.213	C	C	.	.	H	α-helix	trans	-70.2	-37.7	175.8	0	0	0	0	0	112.2	S99 S104 N105	S99-A101 PolarHBondContact O-N 3.06Å; S99-A101 PolarHBondContact OG-N 3.03Å; A101-S104 PolarHBondContact O-N 3.27Å; A101-N105 WeakPolarHBondContact O-CB 3.4Å; A101-N105 PolarHBondContact O-N 3.08Å
102	D	86	Confident	85	Confident	49 Å²	49	41.5 Å²	41.5	26%	0.262	22%	0.218	S	C	.	.	H	α-helix	trans	-63	-46.1	171.3	-64.9	-89	0	0	0	111.1	R95 Y98 S99 S104 N105 C106	R95-D102 IonicContact NH1-OD1 3.01Å; R95-D102 PolarHBondContact NH1-OD1 2.82Å; Y98-D102 HydrophobicContact CD1-CB 4.36Å; Y98-D102 HydrophobicContact CD2-CB 3.58Å; Y98-D102 HydrophobicContact CE1-CB 4.2Å; Y98-D102 HydrophobicContact CE2-CB 3.37Å; Y98-D102 HydrophobicContact CG-CB 4.09Å; S99-D102 WeakPolarHBondContact CB-OD2 3.47Å; S99-D102 PolarHBondContact N-OD2 3.26Å; S99-D102 WeakPolarHBondContact O-CB 3.43Å; S99-D102 PolarHBondContact O-N 3.23Å; S99-D102 VanDerWaalsContact O-N 3.15Å; S99-D102 PolarHBondContact OG-N 3.04Å; S99-D102 PolarHBondContact OG-OD2 2.75Å; D102-S104 PolarHBondContact O-N 3Å; D102-N105 PolarHBondContact O-N 3.39Å; D102-C106 WeakPolarHBondContact O-CB 3.41Å; D102-C106 PolarHBondContact O-N 2.98Å; D102-C106 PolarHBondContact O-SG 3.48Å
103	A	86.9	Confident	85.8	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-41.2	177.6	0	0	0	0	0	112.3	Y98 S99 E100 C106 I107 L213 L216 L217 W280	Y98-A103 HydrophobicContact CE1-CB 3.94Å; Y98-A103 VanDerWaalsContact OH-CA 3.31Å; Y98-A103 WeakPolarHBondContact OH-CA 3.3Å; Y98-A103 PolarHBondContact OH-N 3.11Å; S99-A103 PolarHBondContact O-N 3.04Å; E100-A103 PolarHBondContact O-N 3.43Å; A103-C106 PolarHBondContact O-N 3.34Å; A103-I107 PolarHBondContact O-N 3.44Å; A103-L213 HydrophobicContact CB-CD1 4.1Å; A103-L216 HydrophobicContact CB-CB 4.38Å; A103-L217 HydrophobicContact CB-CD2 3.5Å; A103-L217 VanDerWaalsContact CB-CD2 3.5Å; A103-L217 HydrophobicContact CB-CG 4.13Å; A103-W280 HydrophobicContact CB-CH2 3.98Å
104	S	89.8	Confident	86.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.3	-47.9	175.2	-179.6	0	0	0	0	111.7	E100 A101 D102 C106 I107 Q108 I281	E100-S104 WeakPolarHBondContact O-CB 3.31Å; E100-S104 PolarHBondContact O-N 2.91Å; A101-S104 PolarHBondContact O-N 3.27Å; D102-S104 PolarHBondContact O-N 3Å; S104-C106 PolarHBondContact O-N 3.34Å; S104-I107 WeakPolarHBondContact O-CG2 3.38Å; S104-I107 PolarHBondContact O-N 3.49Å; S104-Q108 VanDerWaalsContact O-CB 3.27Å; S104-Q108 WeakPolarHBondContact O-CB 3.45Å; S104-Q108 PolarHBondContact O-N 3.01Å; S104-I281 WeakPolarHBondContact OG-CA 3.45Å
105	N	89.9	Confident	87.6	Confident	83 Å²	83	35 Å²	35	44%	0.444	17%	0.171	S	C	.	.	H	α-helix	trans	-62.7	-42	176	-173.8	-11.6	0	0	0	111.7	A101 D102 Q109	A101-N105 WeakPolarHBondContact O-CB 3.4Å; A101-N105 PolarHBondContact O-N 3.08Å; D102-N105 PolarHBondContact O-N 3.39Å; N105-Q109 WeakPolarHBondContact O-CG 3.36Å; N105-Q109 PolarHBondContact O-N 3.25Å; N105-Q109 PolarHBondContact OD1-NE2 3.41Å
106	C	90.2	Very high	88.5	Confident	8 Å²	8	33.4 Å²	33.4	5%	0.054	17%	0.167	C	C	.	.	H	α-helix	trans	-61.5	-49.4	176.1	-66.7	0	0	0	0	111.9	L88 D102 A103 S104 I110 L216	L88-C106 HydrophobicContact CD2-CB 4.34Å; D102-C106 WeakPolarHBondContact O-CB 3.41Å; D102-C106 PolarHBondContact O-N 2.98Å; D102-C106 PolarHBondContact O-SG 3.48Å; A103-C106 PolarHBondContact O-N 3.34Å; S104-C106 PolarHBondContact O-N 3.34Å; C106-I110 WeakPolarHBondContact O-CD1 3.44Å; C106-I110 VanDerWaalsContact O-CG1 3.28Å; C106-I110 WeakPolarHBondContact O-CG1 3.48Å; C106-I110 PolarHBondContact O-N 3.38Å; C106-L216 HydrophobicContact CB-CD1 4.11Å
107	I	90.1	Very high	89.6	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-72.3	-30.7	-178.8	-159.9	64.4	0	0	0	112.6	A103 S104 I110 L111 C190 I212 L213 L216 M261 W280 I281	A103-I107 PolarHBondContact O-N 3.44Å; S104-I107 WeakPolarHBondContact O-CG2 3.38Å; S104-I107 PolarHBondContact O-N 3.49Å; I107-I110 HydrophobicContact CD1-CB 4.22Å; I107-I110 HydrophobicContact CD1-CD1 4.15Å; I107-I110 HydrophobicContact CD1-CG2 4.27Å; I107-I110 PolarHBondContact O-N 2.69Å; I107-L111 HydrophobicContact CG1-CD1 4.19Å; I107-L111 HydrophobicContact CG1-CG 4.24Å; I107-L111 WeakPolarHBondContact O-CB 3.43Å; I107-L111 VanDerWaalsContact O-CG 3.29Å; I107-L111 WeakPolarHBondContact O-CG 3.23Å; I107-L111 PolarHBondContact O-N 2.86Å; I107-C190 HydrophobicContact CD1-CB 4.31Å; I107-C190 WeakPolarHBondContact CD1-O 3.43Å; I107-I212 HydrophobicContact CD1-CG2 4.5Å; I107-L213 HydrophobicContact CB-CD1 4.36Å; I107-L213 HydrophobicContact CB-CD2 4.3Å; I107-L213 HydrophobicContact CD1-CB 4.2Å; I107-L213 HydrophobicContact CG1-CB 4.31Å; I107-L213 HydrophobicContact CG1-CD2 4.11Å; I107-L213 HydrophobicContact CG2-CD1 4.45Å; I107-L213 HydrophobicContact CG2-CD2 4.07Å; I107-L216 HydrophobicContact CB-CD1 4.44Å; I107-M261 HydrophobicContact CG1-CE 4.08Å; I107-W280 HydrophobicContact CG2-CZ3 3.92Å; I107-I281 HydrophobicContact CG2-CD1 4.13Å; I107-I281 HydrophobicContact CG2-CG1 4.24Å
108	Q	92.1	Very high	90.5	Very high	49 Å²	49	19.9 Å²	19.9	23%	0.229	11%	0.105	C	C	.	.	H	α-helix	trans	-56.8	-53.2	174.1	178.5	-176.6	-14.5	0	0	110.4	S104 I110 L111 E112 L276 I281	S104-Q108 VanDerWaalsContact O-CB 3.27Å; S104-Q108 WeakPolarHBondContact O-CB 3.45Å; S104-Q108 PolarHBondContact O-N 3.01Å; Q108-I110 VanDerWaalsContact C-N 3.26Å; Q108-I110 PolarHBondContact O-N 3.29Å; Q108-L111 PolarHBondContact O-N 2.81Å; Q108-L111 VanDerWaalsContact O-N 3.12Å; Q108-E112 HydrophobicContact CG-CG 4.45Å; Q108-E112 WeakPolarHBondContact CG-OE1 3.43Å; Q108-E112 PolarHBondContact NE2-OE1 2.84Å; Q108-E112 WeakPolarHBondContact O-CG 3.32Å; Q108-E112 PolarHBondContact O-N 3.23Å; Q108-L276 HydrophobicContact CG-CD2 4.06Å; Q108-I281 HydrophobicContact CB-CG2 4.15Å; Q108-I281 HydrophobicContact CG-CG2 4.15Å
109	Q	93.5	Very high	91.1	Very high	28 Å²	28	23.9 Å²	23.9	13%	0.131	13%	0.134	C	C	.	.	H	α-helix	trans	-60.9	-34	179.3	-70.7	-179	62	0	0	113.1	N62 N105 S113 A142 V143	N62-Q109 WeakPolarHBondContact CB-O 3.42Å; N62-Q109 WeakPolarHBondContact ND2-CB 3.46Å; N62-Q109 PolarHBondContact ND2-OE1 3.29Å; N105-Q109 WeakPolarHBondContact O-CG 3.36Å; N105-Q109 PolarHBondContact O-N 3.25Å; N105-Q109 PolarHBondContact OD1-NE2 3.41Å; Q109-S113 PolarHBondContact O-N 3.04Å; Q109-A142 VanDerWaalsContact OE1-CA 3.26Å; Q109-V143 HydrophobicContact CB-CB 4.09Å; Q109-V143 HydrophobicContact CB-CG2 4.45Å
110	I	92.8	Very high	91.7	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-67.7	-48.7	173.8	-65.3	165.7	0	0	0	110.1	L88 C106 I107 Q108 E112 S113 I114 L132 V143 I212	L88-I110 HydrophobicContact CD2-CD1 4.32Å; C106-I110 WeakPolarHBondContact O-CD1 3.44Å; C106-I110 VanDerWaalsContact O-CG1 3.28Å; C106-I110 WeakPolarHBondContact O-CG1 3.48Å; C106-I110 PolarHBondContact O-N 3.38Å; I107-I110 HydrophobicContact CD1-CB 4.22Å; I107-I110 HydrophobicContact CD1-CD1 4.15Å; I107-I110 HydrophobicContact CD1-CG2 4.27Å; I107-I110 PolarHBondContact O-N 2.69Å; Q108-I110 VanDerWaalsContact C-N 3.26Å; Q108-I110 PolarHBondContact O-N 3.29Å; I110-E112 VanDerWaalsContact C-N 3.35Å; I110-E112 PolarHBondContact O-N 2.99Å; I110-S113 WeakPolarHBondContact O-CB 3.38Å; I110-S113 PolarHBondContact O-N 2.92Å; I110-S113 VanDerWaalsContact O-N 3.17Å; I110-S113 PolarHBondContact O-OG 2.88Å; I110-I114 WeakPolarHBondContact O-CG1 3.44Å; I110-I114 PolarHBondContact O-N 2.86Å; I110-L132 HydrophobicContact CD1-CD1 3.63Å; I110-L132 HydrophobicContact CD1-CD2 4Å; I110-L132 HydrophobicContact CD1-CG 4.42Å; I110-L132 HydrophobicContact CG1-CD1 4.41Å; I110-L132 HydrophobicContact CG1-CD2 3.85Å; I110-L132 HydrophobicContact CG2-CD2 4.41Å; I110-V143 HydrophobicContact CD1-CG1 4.47Å; I110-V143 HydrophobicContact CG1-CG1 3.97Å; I110-I212 HydrophobicContact CD1-CG2 4.26Å
111	L	93.7	Very high	92	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.4	-36.1	178.9	-72	167.2	0	0	0	112.8	I107 Q108 S113 I114 A115 M261 A272 A275 L276 I281	I107-L111 HydrophobicContact CG1-CD1 4.19Å; I107-L111 HydrophobicContact CG1-CG 4.24Å; I107-L111 WeakPolarHBondContact O-CB 3.43Å; I107-L111 VanDerWaalsContact O-CG 3.29Å; I107-L111 WeakPolarHBondContact O-CG 3.23Å; I107-L111 PolarHBondContact O-N 2.86Å; Q108-L111 PolarHBondContact O-N 2.81Å; Q108-L111 VanDerWaalsContact O-N 3.12Å; L111-S113 VanDerWaalsContact C-N 3.34Å; L111-I114 PolarHBondContact O-N 2.91Å; L111-A115 WeakPolarHBondContact O-CB 3.44Å; L111-A115 PolarHBondContact O-N 3.26Å; L111-M261 HydrophobicContact CD1-CE 3.68Å; L111-M261 HydrophobicContact CD2-CE 3.94Å; L111-M261 HydrophobicContact CG-CE 4.22Å; L111-A272 HydrophobicContact CD2-CB 4.43Å; L111-A275 HydrophobicContact CD1-CB 3.78Å; L111-A275 HydrophobicContact CD2-CB 3.99Å; L111-L276 HydrophobicContact CB-CD1 4.39Å; L111-L276 HydrophobicContact CB-CD2 3.56Å; L111-L276 HydrophobicContact CB-CG 3.8Å; L111-L276 HydrophobicContact CD1-CD2 4.32Å; L111-I281 HydrophobicContact CD1-CD1 3.48Å; L111-I281 VanDerWaalsContact CD1-CD1 3.48Å
112	E	94.1	Very high	92.5	Very high	57 Å²	57	24.8 Å²	24.8	27%	0.266	14%	0.138	S	C	.	.	H	α-helix	trans	-59.7	-45.4	172.1	-72.9	166.9	178.3	0	0	110.4	Q108 I110 I114 F116 L276	Q108-E112 HydrophobicContact CG-CG 4.45Å; Q108-E112 WeakPolarHBondContact CG-OE1 3.43Å; Q108-E112 PolarHBondContact NE2-OE1 2.84Å; Q108-E112 WeakPolarHBondContact O-CG 3.32Å; Q108-E112 PolarHBondContact O-N 3.23Å; I110-E112 VanDerWaalsContact C-N 3.35Å; I110-E112 PolarHBondContact O-N 2.99Å; E112-I114 VanDerWaalsContact C-N 3.3Å; E112-I114 PolarHBondContact O-N 3.26Å; E112-F116 WeakPolarHBondContact O-CB 3.5Å; E112-F116 PolarHBondContact O-N 3.44Å; E112-L276 HydrophobicContact CG-CD1 4.21Å; E112-L276 HydrophobicContact CG-CD2 3.79Å
113	S	94.6	Very high	92.8	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.007	13%	0.126	C	C	.	.	H	α-helix	trans	-61.2	-37	175	82.8	0	0	0	0	113	N62 Q109 I110 L111 C117	N62-S113 VanDerWaalsContact O-CB 3.31Å; N62-S113 WeakPolarHBondContact O-CB 3.43Å; Q109-S113 PolarHBondContact O-N 3.04Å; I110-S113 WeakPolarHBondContact O-CB 3.38Å; I110-S113 PolarHBondContact O-N 2.92Å; I110-S113 VanDerWaalsContact O-N 3.17Å; I110-S113 PolarHBondContact O-OG 2.88Å; L111-S113 VanDerWaalsContact C-N 3.34Å; S113-C117 PolarHBondContact O-N 2.79Å; S113-C117 PolarHBondContact O-SG 3.2Å
114	I	94.1	Very high	93.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-80.4	-39.2	-177.9	-66.3	-57.2	0	0	0	112.7	I110 L111 E112 F116 C117 H118 H124 L127 L145 D186 A272	I110-I114 WeakPolarHBondContact O-CG1 3.44Å; I110-I114 PolarHBondContact O-N 2.86Å; L111-I114 PolarHBondContact O-N 2.91Å; E112-I114 VanDerWaalsContact C-N 3.3Å; E112-I114 PolarHBondContact O-N 3.26Å; I114-F116 PolarHBondContact O-N 3.29Å; I114-C117 WeakPolarHBondContact O-CB 3.25Å; I114-C117 PolarHBondContact O-N 3.21Å; I114-C117 VanDerWaalsContact O-N 3.12Å; I114-H118 VanDerWaalsContact CG2-CE1 3.41Å; I114-H118 WeakPolarHBondContact CG2-CE1 3.48Å; I114-H118 WeakPolarHBondContact CG2-NE2 3.29Å; I114-H118 WeakPolarHBondContact O-CB 3.4Å; I114-H118 PolarHBondContact O-CD2 3.32Å; I114-H118 VanDerWaalsContact O-CG 3.26Å; I114-H118 PolarHBondContact O-N 2.66Å; I114-H124 HydrophobicContact CD1-CB 4.46Å; I114-L127 HydrophobicContact CD1-CD1 3.72Å; I114-L127 HydrophobicContact CD1-CD2 4.19Å; I114-L127 HydrophobicContact CD1-CG 4.25Å; I114-L127 HydrophobicContact CG1-CD1 3.99Å; I114-L145 HydrophobicContact CD1-CD2 3.5Å; I114-L145 VanDerWaalsContact CD1-CD2 3.5Å; I114-L145 HydrophobicContact CG1-CD2 4.45Å; I114-D186 HydrophobicContact CG2-CB 3.97Å; I114-A272 HydrophobicContact CG2-CB 4.21Å
115	A	92.9	Very high	93.2	Very high	10 Å²	10	23.9 Å²	23.9	8%	0.083	13%	0.131	C	C	.	.	H	α-helix	trans	-58.7	-39.1	169.1	0	0	0	0	0	110.9	L111 H118 S119 A272 L276	L111-A115 WeakPolarHBondContact O-CB 3.44Å; L111-A115 PolarHBondContact O-N 3.26Å; A115-H118 PolarHBondContact O-N 2.91Å; A115-S119 WeakPolarHBondContact O-CB 3.44Å; A115-S119 PolarHBondContact O-N 3.46Å; A115-S119 PolarHBondContact O-OG 3.23Å; A115-A272 HydrophobicContact CB-CB 3.8Å; A115-L276 HydrophobicContact CB-CD1 4.01Å
116	F	95.6	Very high	93.2	Very high	55 Å²	55	20.6 Å²	20.6	24%	0.241	11%	0.113	C	C	.	.	H	α-helix	trans	-65.6	-39.2	173.6	-166.2	-94.5	0	0	0	112.9	L58 H60 I63 E112 I114 S119 N120	L58-F116 HydrophobicContact CD2-CD1 4.18Å; L58-F116 HydrophobicContact CD2-CE1 4.32Å; H60-F116 HydrophobicContact CB-CB 4.48Å; H60-F116 HydrophobicContact CB-CD1 3.76Å; H60-F116 HydrophobicContact CB-CE1 4.11Å; H60-F116 HydrophobicContact CB-CG 4.02Å; H60-F116 AromaticContact CD2-CD2 3.55Å; H60-F116 AromaticContact CD2-CG 3.48Å; H60-F116 VanDerWaalsContact CD2-CG 3.48Å; H60-F116 WeakPolarHBondContact CD2-CG 3.45Å; H60-F116 AromaticContact CG-CG 3.92Å; I63-F116 HydrophobicContact CD1-CD1 4.12Å; E112-F116 WeakPolarHBondContact O-CB 3.5Å; E112-F116 PolarHBondContact O-N 3.44Å; I114-F116 PolarHBondContact O-N 3.29Å; F116-S119 WeakPolarHBondContact CA-OG 3.47Å; F116-S119 PolarHBondContact O-OG 3.31Å; F116-S119 VanDerWaalsContact O-OG 3.11Å; F116-N120 WeakPolarHBondContact CE1-ND2 3.42Å; F116-N120 WeakPolarHBondContact O-CB 3.21Å; F116-N120 PolarHBondContact O-N 2.84Å; F116-N120 PolarHBondContact O-ND2 2.68Å
117	C	94.7	Very high	93.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.5	-47.9	172.2	-66.4	0	0	0	0	111.7	S113 I114 S119 N120 G121 V122	S113-C117 PolarHBondContact O-N 2.79Å; S113-C117 PolarHBondContact O-SG 3.2Å; I114-C117 WeakPolarHBondContact O-CB 3.25Å; I114-C117 PolarHBondContact O-N 3.21Å; I114-C117 VanDerWaalsContact O-N 3.12Å; C117-S119 PolarHBondContact O-N 3.1Å; C117-N120 CarbonylContact O-C 2.99Å; C117-N120 WeakPolarHBondContact O-CA 3.29Å; C117-N120 PolarHBondContact O-N 3.46Å; C117-N120 VanDerWaalsContact O-N 3.13Å; C117-G121 PolarHBondContact O-N 2.77Å; C117-V122 CarbonylContact C-O 3.55Å; C117-V122 HydrophobicContact CB-CB 4.27Å; C117-V122 PolarHBondContact O-N 3.49Å
118	H	93.6	Very high	92.7	Very high	13 Å²	13	21.8 Å²	21.8	6%	0.06	12%	0.118	C	C	.	.	H	α-helix	trans	-66.8	-37.7	-174.3	-72.2	-173.1	0	0	0	112.9	I114 A115 G121 V122 K183 D186	I114-H118 VanDerWaalsContact CG2-CE1 3.41Å; I114-H118 WeakPolarHBondContact CG2-CE1 3.48Å; I114-H118 WeakPolarHBondContact CG2-NE2 3.29Å; I114-H118 WeakPolarHBondContact O-CB 3.4Å; I114-H118 PolarHBondContact O-CD2 3.32Å; I114-H118 VanDerWaalsContact O-CG 3.26Å; I114-H118 PolarHBondContact O-N 2.66Å; A115-H118 PolarHBondContact O-N 2.91Å; H118-G121 PolarHBondContact O-N 2.96Å; H118-V122 PolarHBondContact CD2-O 3.49Å; H118-K183 HydrophobicContact CB-CD 4.08Å; H118-K183 HydrophobicContact CB-CG 4.19Å; H118-K183 PolarHBondContact CE1-O 3.34Å; H118-K183 PolarHBondContact NE2-O 3.48Å; H118-K183 VanDerWaalsContact O-CE 3.29Å; H118-K183 WeakPolarHBondContact O-CE 3.19Å; H118-D186 IonicContact CD2-OD2 3.17Å; H118-D186 IonicContact CE1-OD2 3.07Å; H118-D186 IonicContact NE2-OD2 2.72Å; H118-D186 PolarHBondContact NE2-OD2 3.21Å
119	S	93.8	Very high	92	Very high	89 Å²	89	19.9 Å²	19.9	62%	0.622	11%	0.11	S	C	*	.	H	α-helix	trans	-69.1	-30.5	172.8	51.7	0	0	0	0	112.9	A115 F116 C117 G121	A115-S119 WeakPolarHBondContact O-CB 3.44Å; A115-S119 PolarHBondContact O-N 3.46Å; A115-S119 PolarHBondContact O-OG 3.23Å; F116-S119 WeakPolarHBondContact CA-OG 3.47Å; F116-S119 PolarHBondContact O-OG 3.31Å; F116-S119 VanDerWaalsContact O-OG 3.11Å; C117-S119 PolarHBondContact O-N 3.1Å; S119-G121 PolarHBondContact O-N 3.19Å
120	N	94.9	Very high	91.4	Very high	62 Å²	62	21 Å²	21	33%	0.332	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	4.7	170.4	-80.2	-88.5	0	0	0	114	L58 F116 C117 V122	L58-N120 HydrophobicContact CD2-CB 4.03Å; F116-N120 WeakPolarHBondContact CE1-ND2 3.42Å; F116-N120 WeakPolarHBondContact O-CB 3.21Å; F116-N120 PolarHBondContact O-N 2.84Å; F116-N120 PolarHBondContact O-ND2 2.68Å; C117-N120 CarbonylContact O-C 2.99Å; C117-N120 WeakPolarHBondContact O-CA 3.29Å; C117-N120 PolarHBondContact O-N 3.46Å; C117-N120 VanDerWaalsContact O-N 3.13Å; N120-V122 VanDerWaalsContact C-N 3.33Å; N120-V122 PolarHBondContact O-N 3.02Å
121	G	93.9	Very high	91.2	Very high	16 Å²	16	21.6 Å²	21.6	17%	0.165	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	28.7	-178.3	0	0	0	0	0	113.6	C117 H118 S119 E153 V154	C117-G121 PolarHBondContact O-N 2.77Å; H118-G121 PolarHBondContact O-N 2.96Å; S119-G121 PolarHBondContact O-N 3.19Å; G121-E153 CarbonylContact O-C 3.26Å; G121-E153 WeakPolarHBondContact O-CA 3.4Å; G121-V154 PolarHBondContact O-N 2.68Å
122	V	94.6	Very high	91	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.1	176.4	178.4	0	0	0	0	110.3	I54 L58 C117 H118 N120 F148 A151 I152	I54-V122 HydrophobicContact CD1-CG1 4.37Å; I54-V122 HydrophobicContact CG1-CG2 4.4Å; I54-V122 HydrophobicContact CG2-CG1 3.68Å; I54-V122 HydrophobicContact CG2-CG2 4.11Å; L58-V122 HydrophobicContact CD1-CG1 4.21Å; L58-V122 HydrophobicContact CD2-CB 4.5Å; L58-V122 HydrophobicContact CD2-CG2 4.26Å; C117-V122 CarbonylContact C-O 3.55Å; C117-V122 HydrophobicContact CB-CB 4.27Å; C117-V122 PolarHBondContact O-N 3.49Å; H118-V122 PolarHBondContact CD2-O 3.49Å; N120-V122 VanDerWaalsContact C-N 3.33Å; N120-V122 PolarHBondContact O-N 3.02Å; V122-F148 HydrophobicContact CG1-CD1 4.5Å; V122-A151 HydrophobicContact CG1-CB 4.28Å; V122-I152 WeakPolarHBondContact CA-O 3.44Å
123	V	93.5	Very high	91	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	131.5	172.7	-174	0	0	0	0	108.8	R125 A151 I152 V154 K183 V185 D186	V123-R125 HydrophobicContact CG1-CG 3.95Å; V123-A151 CarbonylContact O-C 3.58Å; V123-A151 WeakPolarHBondContact O-CA 3.37Å; V123-A151 WeakPolarHBondContact O-CB 3.44Å; V123-I152 HydrophobicContact CB-CD1 4.21Å; V123-I152 HydrophobicContact CB-CG1 3.87Å; V123-I152 PolarHBondContact N-O 3.19Å; V123-I152 PolarHBondContact O-N 2.69Å; V123-V154 HydrophobicContact CB-CG1 4.49Å; V123-V154 HydrophobicContact CG2-CB 4.46Å; V123-V154 HydrophobicContact CG2-CG1 3.6Å; V123-V154 HydrophobicContact CG2-CG2 3.93Å; V123-K183 HydrophobicContact CG2-CB 4.4Å; V123-K183 HydrophobicContact CG2-CG 3.96Å; V123-V185 HydrophobicContact CG1-CG2 3.44Å; V123-V185 VanDerWaalsContact CG1-CG2 3.44Å; V123-D186 WeakPolarHBondContact CA-OD2 3.47Å; V123-D186 VanDerWaalsContact CG1-OD2 3.28Å; V123-D186 WeakPolarHBondContact CG1-OD2 3.47Å
124	H	92.8	Very high	91	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.			trans	-77.3	-47.1	-170.1	-162.6	-95.6	0	0	0	113.2	I114 D126 L127 A146 F148 L150 A151 D186	I114-H124 HydrophobicContact CD1-CB 4.46Å; H124-D126 PolarHBondContact CE1-O 2.88Å; H124-D126 VanDerWaalsContact ND1-C 3.35Å; H124-D126 PolarHBondContact ND1-O 3.11Å; H124-D126 PolarHBondContact O-N 2.98Å; H124-L127 HydrophobicContact CB-CG 4.32Å; H124-L127 PolarHBondContact ND1-N 3.02Å; H124-A146 PolarHBondContact CE1-O 3.37Å; H124-A146 PolarHBondContact NE2-O 2.95Å; H124-F148 AromaticContact CD2-CD1 3.55Å; H124-F148 AromaticContact CD2-CE1 3.47Å; H124-F148 VanDerWaalsContact CD2-CE1 3.47Å; H124-F148 WeakPolarHBondContact CD2-CE1 3.44Å; H124-F148 AromaticContact CD2-CZ 3.88Å; H124-L150 CarbonylContact O-C 3.57Å; H124-A151 WeakPolarHBondContact O-CA 3.39Å; H124-A151 PolarHBondContact O-N 3.17Å; H124-D186 WeakPolarHBondContact CA-OD1 3.39Å; H124-D186 WeakPolarHBondContact CB-OD1 3.32Å; H124-D186 VanDerWaalsContact N-CG 3.31Å; H124-D186 PolarHBondContact N-OD1 2.83Å; H124-D186 PolarHBondContact N-OD2 2.89Å
125	R	92.3	Very high	91	Very high	30 Å²	30	22 Å²	22	11%	0.113	13%	0.126	C	C	.	.	S	Bend	trans	63.8	-9.2	179.9	-48.6	-167.7	-61	167.6	0	118	V123 L150 I152 Y162 G166 Y181 V185 D186	V123-R125 HydrophobicContact CG1-CG 3.95Å; R125-L150 VanDerWaalsContact CZ-O 3.26Å; R125-L150 PolarHBondContact NE-O 2.7Å; R125-L150 PolarHBondContact NH2-O 2.76Å; R125-I152 HydrophobicContact CG-CD1 4.46Å; R125-I152 HydrophobicContact CG-CG1 4.32Å; R125-I152 VanDerWaalsContact CZ-CG2 3.49Å; R125-Y162 PolarHBondContact NH1-O 3.05Å; R125-G166 WeakPolarHBondContact O-CA 3.41Å; R125-Y181 HydrophobicContact CG-CE2 4.49Å; R125-Y181 PolarHBondContact NH1-OH 2.94Å; R125-V185 HydrophobicContact CG-CG2 4.15Å; R125-D186 PolarHBondContact N-OD1 3.29Å
126	D	90.3	Very high	91	Very high	14 Å²	14	23.5 Å²	23.5	8%	0.075	14%	0.135	C	C	.	.			trans	-134.6	52.5	174.3	-160.7	41.2	0	0	0	111.8	H124 K128 N131 L150 G166 T167	H124-D126 PolarHBondContact CE1-O 2.88Å; H124-D126 VanDerWaalsContact ND1-C 3.35Å; H124-D126 PolarHBondContact ND1-O 3.11Å; H124-D126 PolarHBondContact O-N 2.98Å; D126-K128 IonicContact OD1-NZ 2.71Å; D126-K128 IonicContact OD2-NZ 3.78Å; D126-K128 PolarHBondContact OD2-NZ 2.66Å; D126-N131 PolarHBondContact O-ND2 2.87Å; D126-L150 HydrophobicContact CB-CB 4.17Å; D126-L150 HydrophobicContact CB-CD1 3.78Å; D126-L150 HydrophobicContact CB-CG 4.49Å; D126-G166 WeakPolarHBondContact OD1-CA 3.45Å; D126-T167 WeakPolarHBondContact OD1-CB 3.48Å; D126-T167 PolarHBondContact OD1-N 3.27Å; D126-T167 PolarHBondContact OD1-OG1 2.67Å
127	L	87.2	Confident	90.7	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	15%	0.151	C	C	.	.			trans	-74.4	125.3	170.4	-91.2	167.2	0	0	0	110.1	I114 H124 L145 Y170 D186 A189 I212	I114-L127 HydrophobicContact CD1-CD1 3.72Å; I114-L127 HydrophobicContact CD1-CD2 4.19Å; I114-L127 HydrophobicContact CD1-CG 4.25Å; I114-L127 HydrophobicContact CG1-CD1 3.99Å; H124-L127 HydrophobicContact CB-CG 4.32Å; H124-L127 PolarHBondContact ND1-N 3.02Å; L127-L145 HydrophobicContact CD2-CD1 3.5Å; L127-L145 HydrophobicContact CD2-CD2 4.46Å; L127-Y170 WeakPolarHBondContact O-CB 3.15Å; L127-Y170 WeakPolarHBondContact O-CD1 3.43Å; L127-D186 HydrophobicContact CD1-CB 3.73Å; L127-D186 WeakPolarHBondContact CD1-O 3.37Å; L127-A189 HydrophobicContact CB-CB 3.26Å; L127-A189 HydrophobicContact CD1-CB 3.9Å; L127-A189 HydrophobicContact CG-CB 4.25Å; L127-I212 HydrophobicContact CB-CD1 3.97Å; L127-I212 HydrophobicContact CD2-CD1 4.38Å
128	K	81.2	Confident	90.4	Very high	31 Å²	31	29.9 Å²	29.9	14%	0.135	17%	0.174	C	C	.	.	S	Bend	trans	-166.1	163.1	-177.1	63.8	-168.4	-169.9	-156.9	0	110.7	D126 E130 N131 T167 Y170	D126-K128 IonicContact OD1-NZ 2.71Å; D126-K128 IonicContact OD2-NZ 3.78Å; D126-K128 PolarHBondContact OD2-NZ 2.66Å; K128-E130 VanDerWaalsContact C-N 3.27Å; K128-E130 WeakPolarHBondContact CB-OE2 3.44Å; K128-E130 HydrophobicContact CG-CB 4.35Å; K128-E130 VanDerWaalsContact CG-OE2 3.23Å; K128-E130 WeakPolarHBondContact CG-OE2 3.31Å; K128-E130 PolarHBondContact O-N 3.39Å; K128-N131 HydrophobicContact CG-CB 4.2Å; K128-N131 PolarHBondContact O-N 2.72Å; K128-T167 HydrophobicContact CD-CG2 4.29Å; K128-T167 VanDerWaalsContact CD-OG1 3.3Å; K128-T167 WeakPolarHBondContact CD-OG1 3.37Å; K128-T167 PolarHBondContact NZ-OG1 2.65Å; K128-T167 VanDerWaalsContact NZ-OG1 3.09Å; K128-Y170 HydrophobicContact CB-CD1 4.36Å; K128-Y170 HydrophobicContact CB-CD2 3.97Å; K128-Y170 HydrophobicContact CB-CE1 4.29Å; K128-Y170 HydrophobicContact CB-CE2 3.88Å; K128-Y170 HydrophobicContact CB-CG 4.23Å
129	P	78.6	Confident	89.9	Confident	9 Å²	9	40 Å²	40	6%	0.058	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-43.6	-46.2	176.6	-34.9	39.7	0	0	0	115.4	F89 N131 L132 Y170 I215	F89-P129 HydrophobicContact CB-CB 4.48Å; F89-P129 HydrophobicContact CD2-CB 3.43Å; F89-P129 VanDerWaalsContact CD2-CB 3.43Å; F89-P129 HydrophobicContact CD2-CG 3.93Å; F89-P129 HydrophobicContact CE2-CB 3.78Å; F89-P129 HydrophobicContact CE2-CG 3.8Å; F89-P129 HydrophobicContact CG-CB 3.98Å; F89-P129 HydrophobicContact CG-CG 4.43Å; F89-P129 HydrophobicContact CZ-CG 4.21Å; P129-N131 PolarHBondContact O-N 2.73Å; P129-N131 VanDerWaalsContact O-N 3.16Å; P129-L132 PolarHBondContact O-N 2.7Å; P129-Y170 VanDerWaalsContact CD-CZ 3.43Å; P129-Y170 WeakPolarHBondContact CD-OH 3.31Å; P129-Y170 WeakPolarHBondContact CG-OH 3.45Å; P129-I215 HydrophobicContact CG-CD1 4.05Å
130	E	79.7	Confident	89.5	Confident	52 Å²	52	39.3 Å²	39.3	24%	0.243	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-65.2	-21.3	-175.3	-48.8	95.8	108	0	0	112.9	K128	K128-E130 VanDerWaalsContact C-N 3.27Å; K128-E130 WeakPolarHBondContact CB-OE2 3.44Å; K128-E130 HydrophobicContact CG-CB 4.35Å; K128-E130 VanDerWaalsContact CG-OE2 3.23Å; K128-E130 WeakPolarHBondContact CG-OE2 3.31Å; K128-E130 PolarHBondContact O-N 3.39Å
131	N	89.6	Confident	89.3	Confident	13 Å²	13	37.2 Å²	37.2	7%	0.07	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-98.6	8.8	179	-73.8	-14	0	0	0	112.7	D126 K128 P129 A146	D126-N131 PolarHBondContact O-ND2 2.87Å; K128-N131 HydrophobicContact CG-CB 4.2Å; K128-N131 PolarHBondContact O-N 2.72Å; P129-N131 PolarHBondContact O-N 2.73Å; P129-N131 VanDerWaalsContact O-N 3.16Å; N131-A146 WeakPolarHBondContact CB-O 3.3Å; N131-A146 PolarHBondContact O-N 3.17Å
132	L	89	Confident	89.4	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	99.4	179	-66.1	176.1	0	0	0	110.3	L88 F89 I110 P129 L145 I212	L88-L132 HydrophobicContact CB-CB 4.24Å; L88-L132 WeakPolarHBondContact CB-O 3.47Å; L88-L132 HydrophobicContact CD2-CB 4.4Å; L88-L132 PolarHBondContact N-O 2.9Å; F89-L132 HydrophobicContact CE2-CD1 4.17Å; I110-L132 HydrophobicContact CD1-CD1 3.63Å; I110-L132 HydrophobicContact CD1-CD2 4Å; I110-L132 HydrophobicContact CD1-CG 4.42Å; I110-L132 HydrophobicContact CG1-CD1 4.41Å; I110-L132 HydrophobicContact CG1-CD2 3.85Å; I110-L132 HydrophobicContact CG2-CD2 4.41Å; P129-L132 PolarHBondContact O-N 2.7Å; L132-L145 HydrophobicContact CD2-CD1 4.23Å; L132-I212 HydrophobicContact CD1-CD1 4.09Å; L132-I212 HydrophobicContact CD1-CG1 4.49Å; L132-I212 HydrophobicContact CD1-CG2 3.74Å
133	L	93.6	Very high	89.4	Confident	35 Å²	35	38.2 Å²	38.2	18%	0.183	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	150.8	-171	-54.1	-178.9	0	0	0	111.4	V83 G86 E87 V143 K144 A146	V83-L133 HydrophobicContact CG2-CB 4.16Å; V83-L133 HydrophobicContact CG2-CD1 3.71Å; G86-L133 WeakPolarHBondContact O-CA 3.37Å; E87-L133 HydrophobicContact CG-CD2 3.91Å; L133-V143 CarbonylContact O-C 3.59Å; L133-K144 PolarHBondContact N-O 3.45Å; L133-K144 PolarHBondContact O-N 2.7Å; L133-A146 HydrophobicContact CD1-CB 3.73Å; L133-A146 HydrophobicContact CG-CB 4.12Å
134	L	94.2	Very high	89.6	Confident	6 Å²	6	39.3 Å²	39.3	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	136	171.6	-73.7	171.8	0	0	0	110.9	G85 G86 L88 D91 S136 V143	G85-L134 WeakPolarHBondContact CA-O 3.33Å; G85-L134 PolarHBondContact N-O 3.49Å; G86-L134 PolarHBondContact O-N 2.56Å; L88-L134 HydrophobicContact CD1-CD1 4.44Å; L88-L134 HydrophobicContact CD1-CD2 4.06Å; L88-L134 HydrophobicContact CD1-CG 4.3Å; D91-L134 HydrophobicContact CB-CD1 3.36Å; D91-L134 VanDerWaalsContact CG-CD1 3.44Å; L134-S136 VanDerWaalsContact C-N 3.29Å; L134-S136 PolarHBondContact O-N 3.21Å; L134-V143 HydrophobicContact CD2-CG2 4.08Å
135	A	94.6	Very high	89.7	Confident	26 Å²	26	39.4 Å²	39.4	22%	0.215	23%	0.228	C	C	.	.	S	Bend	trans	-58	-40	-177.9	0	0	0	0	0	112.8	T84 A142 K144	T84-A135 PolarHBondContact N-O 3.01Å; T84-A135 PolarHBondContact OG1-O 3.08Å; A135-A142 WeakPolarHBondContact CB-O 3.37Å; A135-A142 PolarHBondContact N-O 3.08Å; A135-K144 HydrophobicContact CB-CD 4.16Å
136	S	93.6	Very high	89.7	Confident	41 Å²	41	38.5 Å²	38.5	29%	0.287	23%	0.227	S	C	.	.			trans	-152.9	175.6	175.7	73.1	0	0	0	0	111.4	T84 G85 L134 A138 A141	T84-S136 WeakPolarHBondContact OG1-CA 3.37Å; G85-S136 WeakPolarHBondContact CA-O 3.1Å; L134-S136 VanDerWaalsContact C-N 3.29Å; L134-S136 PolarHBondContact O-N 3.21Å; S136-A138 PolarHBondContact O-N 3.34Å; S136-A138 WeakPolarHBondContact OG-CB 3.46Å; S136-A138 PolarHBondContact OG-N 3.1Å; S136-A141 WeakPolarHBondContact O-CB 3.24Å
137	K	89.3	Confident	89.7	Confident	130 Å²	130	41 Å²	41	57%	0.565	24%	0.24	S	C	*	.	S	Bend	trans	-82.3	16.2	171.5	-71.8	-60.7	-166.8	-170.6	0	113.8	G85 D91	G85-K137 WeakPolarHBondContact O-CD 3.43Å; G85-K137 WeakPolarHBondContact O-CE 3.4Å; G85-K137 PolarHBondContact O-NZ 2.92Å; D91-K137 IonicContact OD1-NZ 3.21Å
138	A	89.2	Confident	90	Very high	59 Å²	59	41.1 Å²	41.1	49%	0.488	24%	0.241	S	C	.	.	S	Bend	trans	-76.4	144.6	174.8	0	0	0	0	0	111.3	S136 G140 A141	S136-A138 PolarHBondContact O-N 3.34Å; S136-A138 WeakPolarHBondContact OG-CB 3.46Å; S136-A138 PolarHBondContact OG-N 3.1Å; A138-G140 PolarHBondContact O-N 3.15Å; A138-A141 VanDerWaalsContact O-CB 3.28Å; A138-A141 WeakPolarHBondContact O-CB 3.34Å; A138-A141 PolarHBondContact O-N 2.74Å
139	K	82.2	Confident	90.4	Very high	224 Å²	224	40.4 Å²	40.4	97%	0.974	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	123	172.9	-175.8	175.9	-178.8	176.2	0	109.4
140	G	84.3	Confident	90.9	Very high	76 Å²	76	42.8 Å²	42.8	78%	0.784	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	17.5	-175.2	0	0	0	0	0	114.8	A138	A138-G140 PolarHBondContact O-N 3.15Å
141	A	92.4	Very high	91.6	Very high	18 Å²	18	40.4 Å²	40.4	15%	0.149	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-57.9	140.7	170.2	0	0	0	0	0	111.6	S136 A138	S136-A141 WeakPolarHBondContact O-CB 3.24Å; A138-A141 VanDerWaalsContact O-CB 3.28Å; A138-A141 WeakPolarHBondContact O-CB 3.34Å; A138-A141 PolarHBondContact O-N 2.74Å
142	A	95.7	Very high	91.7	Very high	34 Å²	34	40.1 Å²	40.1	28%	0.281	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-68.5	142.3	-177.9	0	0	0	0	0	112.6	Q109 A135	Q109-A142 VanDerWaalsContact OE1-CA 3.26Å; A135-A142 WeakPolarHBondContact CB-O 3.37Å; A135-A142 PolarHBondContact N-O 3.08Å
143	V	95	Very high	92	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	135.9	167.3	-174	0	0	0	0	108.8	N62 L88 Q109 I110 L133 L134	N62-V143 WeakPolarHBondContact CA-O 3.47Å; N62-V143 VanDerWaalsContact CB-O 3.28Å; N62-V143 WeakPolarHBondContact CB-O 3.07Å; N62-V143 PolarHBondContact ND2-O 3.31Å; L88-V143 HydrophobicContact CD1-CG2 4.13Å; L88-V143 HydrophobicContact CD2-CG1 4.09Å; L88-V143 HydrophobicContact CD2-CG2 4.2Å; Q109-V143 HydrophobicContact CB-CB 4.09Å; Q109-V143 HydrophobicContact CB-CG2 4.45Å; I110-V143 HydrophobicContact CD1-CG1 4.47Å; I110-V143 HydrophobicContact CG1-CG1 3.97Å; L133-V143 CarbonylContact O-C 3.59Å; L134-V143 HydrophobicContact CD2-CG2 4.08Å
144	K	96.8	Very high	91.9	Very high	23 Å²	23	41.5 Å²	41.5	10%	0.1	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	126.2	178.1	-81	176.4	167.6	-81.9	0	111	P61 N62 I63 V64 D81 V83 L133 A135	P61-K144 VanDerWaalsContact O-CE 3.32Å; P61-K144 WeakPolarHBondContact O-CE 3.49Å; P61-K144 PolarHBondContact O-NZ 2.98Å; N62-K144 WeakPolarHBondContact O-CA 3.16Å; I63-K144 PolarHBondContact O-NZ 3.39Å; V64-K144 HydrophobicContact CG2-CB 3.87Å; V64-K144 HydrophobicContact CG2-CD 4.43Å; D81-K144 IonicContact OD2-NZ 2.7Å; D81-K144 PolarHBondContact OD2-NZ 2.83Å; V83-K144 HydrophobicContact CG1-CD 3.57Å; L133-K144 PolarHBondContact N-O 3.45Å; L133-K144 PolarHBondContact O-N 2.7Å; A135-K144 HydrophobicContact CB-CD 4.16Å
145	L	94.8	Very high	91.6	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	135.2	171.1	178.7	60	0	0	0	111.3	N62 I63 V64 I114 L127 L132 F148	N62-L145 PolarHBondContact O-N 2.96Å; I63-L145 HydrophobicContact CG1-CB 4.49Å; V64-L145 WeakPolarHBondContact CG2-O 3.49Å; V64-L145 PolarHBondContact N-O 2.96Å; I114-L145 HydrophobicContact CD1-CD2 3.5Å; I114-L145 VanDerWaalsContact CD1-CD2 3.5Å; I114-L145 HydrophobicContact CG1-CD2 4.45Å; L127-L145 HydrophobicContact CD2-CD1 3.5Å; L127-L145 HydrophobicContact CD2-CD2 4.46Å; L132-L145 HydrophobicContact CD2-CD1 4.23Å; L145-F148 HydrophobicContact CD2-CE1 4.41Å; L145-F148 HydrophobicContact CD2-CZ 3.85Å; L145-F148 HydrophobicContact CG-CE2 4.31Å; L145-F148 HydrophobicContact CG-CZ 4.03Å
146	A	92.9	Very high	91.1	Very high	11 Å²	11	50.2 Å²	50.2	9%	0.091	30%	0.297	C	S	.	.			trans	-131.7	165.9	-175.4	0	0	0	0	0	113.8	V64 H124 N131 L133	V64-A146 HydrophobicContact CB-CB 4.49Å; V64-A146 HydrophobicContact CG2-CB 3.89Å; H124-A146 PolarHBondContact CE1-O 3.37Å; H124-A146 PolarHBondContact NE2-O 2.95Å; N131-A146 WeakPolarHBondContact CB-O 3.3Å; N131-A146 PolarHBondContact O-N 3.17Å; L133-A146 HydrophobicContact CD1-CB 3.73Å; L133-A146 HydrophobicContact CG-CB 4.12Å
147	D	89.5	Confident	90.5	Very high	67 Å²	67	54.1 Å²	54.1	36%	0.358	32%	0.315	S	S	.	.			trans	51.7	77.6	178.6	-156.3	23.8	0	0	0	118.4	K33 G149	K33-D147 IonicContact NZ-OD1 2.77Å; K33-D147 PolarHBondContact NZ-OD1 2.84Å; D147-G149 PolarHBondContact O-N 3.4Å; D147-G149 VanDerWaalsContact O-N 3.08Å; D147-G149 PolarHBondContact OD1-N 3.05Å
148	F	92.9	Very high	90.4	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.018	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-75.8	16.7	173.8	-67.6	-101.6	0	0	0	114.1	I54 L58 I63 V122 H124 L145 L150 A151	I54-F148 HydrophobicContact CG2-CB 4.32Å; I54-F148 HydrophobicContact CG2-CD1 3.89Å; I54-F148 HydrophobicContact CG2-CG 4.34Å; L58-F148 HydrophobicContact CD1-CD1 3.62Å; L58-F148 HydrophobicContact CD1-CE1 3.14Å; L58-F148 HydrophobicContact CD1-CE2 4.42Å; L58-F148 HydrophobicContact CD1-CG 4.44Å; L58-F148 HydrophobicContact CD1-CZ 3.62Å; I63-F148 HydrophobicContact CD1-CZ 4.35Å; I63-F148 HydrophobicContact CG2-CE2 3.76Å; I63-F148 HydrophobicContact CG2-CZ 3.88Å; V122-F148 HydrophobicContact CG1-CD1 4.5Å; H124-F148 AromaticContact CD2-CD1 3.55Å; H124-F148 AromaticContact CD2-CE1 3.47Å; H124-F148 VanDerWaalsContact CD2-CE1 3.47Å; H124-F148 WeakPolarHBondContact CD2-CE1 3.44Å; H124-F148 AromaticContact CD2-CZ 3.88Å; L145-F148 HydrophobicContact CD2-CE1 4.41Å; L145-F148 HydrophobicContact CD2-CZ 3.85Å; L145-F148 HydrophobicContact CG-CE2 4.31Å; L145-F148 HydrophobicContact CG-CZ 4.03Å; F148-L150 PolarHBondContact O-N 2.83Å; F148-L150 VanDerWaalsContact O-N 3.1Å; F148-A151 HydrophobicContact CB-CB 3.86Å; F148-A151 HydrophobicContact CD1-CB 3.89Å; F148-A151 HydrophobicContact CG-CB 4.38Å; F148-A151 WeakPolarHBondContact O-CB 3.37Å; F148-A151 PolarHBondContact O-N 3.48Å
149	G	89.8	Confident	90.3	Very high	16 Å²	16	50.8 Å²	50.8	17%	0.165	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-59.5	-23.3	-177.2	0	0	0	0	0	115	E51 D147	E51-G149 WeakPolarHBondContact OE2-CA 3.49Å; D147-G149 PolarHBondContact O-N 3.4Å; D147-G149 VanDerWaalsContact O-N 3.08Å; D147-G149 PolarHBondContact OD1-N 3.05Å
150	L	89.5	Confident	90.6	Very high	60 Å²	60	43 Å²	43	31%	0.314	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-100.9	-2.6	172.6	-69.6	-179.3	0	0	0	114.4	H124 R125 D126 F148 A165	H124-L150 CarbonylContact O-C 3.57Å; R125-L150 VanDerWaalsContact CZ-O 3.26Å; R125-L150 PolarHBondContact NE-O 2.7Å; R125-L150 PolarHBondContact NH2-O 2.76Å; D126-L150 HydrophobicContact CB-CB 4.17Å; D126-L150 HydrophobicContact CB-CD1 3.78Å; D126-L150 HydrophobicContact CB-CG 4.49Å; F148-L150 PolarHBondContact O-N 2.83Å; F148-L150 VanDerWaalsContact O-N 3.1Å; L150-A165 HydrophobicContact CD2-CB 4.35Å
151	A	93.8	Very high	90.9	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.008	25%	0.25	C	S	.	.			trans	-66	160	-177.3	0	0	0	0	0	113.2	R50 I54 V122 V123 H124 F148	R50-A151 PolarHBondContact NE-O 2.97Å; R50-A151 PolarHBondContact NH2-O 2.95Å; I54-A151 HydrophobicContact CD1-CB 3.83Å; I54-A151 HydrophobicContact CG2-CB 4.39Å; V122-A151 HydrophobicContact CG1-CB 4.28Å; V123-A151 CarbonylContact O-C 3.58Å; V123-A151 WeakPolarHBondContact O-CA 3.37Å; V123-A151 WeakPolarHBondContact O-CB 3.44Å; H124-A151 WeakPolarHBondContact O-CA 3.39Å; H124-A151 PolarHBondContact O-N 3.17Å; F148-A151 HydrophobicContact CB-CB 3.86Å; F148-A151 HydrophobicContact CD1-CB 3.89Å; F148-A151 HydrophobicContact CG-CB 4.38Å; F148-A151 WeakPolarHBondContact O-CB 3.37Å; F148-A151 PolarHBondContact O-N 3.48Å
152	I	93.6	Very high	90.7	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.041	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	160.9	-179.1	52.9	166.6	0	0	0	111.3	V122 V123 R125 V154 Y162 Y181	V122-I152 WeakPolarHBondContact CA-O 3.44Å; V123-I152 HydrophobicContact CB-CD1 4.21Å; V123-I152 HydrophobicContact CB-CG1 3.87Å; V123-I152 PolarHBondContact N-O 3.19Å; V123-I152 PolarHBondContact O-N 2.69Å; R125-I152 HydrophobicContact CG-CD1 4.46Å; R125-I152 HydrophobicContact CG-CG1 4.32Å; R125-I152 VanDerWaalsContact CZ-CG2 3.49Å; I152-V154 HydrophobicContact CD1-CG1 3.88Å; I152-V154 HydrophobicContact CG1-CG1 4.32Å; I152-Y162 HydrophobicContact CB-CD1 4.34Å; I152-Y162 HydrophobicContact CD1-CD1 3.72Å; I152-Y162 HydrophobicContact CD1-CD2 3.33Å; I152-Y162 HydrophobicContact CD1-CE1 4.06Å; I152-Y162 HydrophobicContact CD1-CE2 3.69Å; I152-Y162 HydrophobicContact CD1-CG 3.34Å; I152-Y162 HydrophobicContact CG2-CD1 4.22Å; I152-Y181 HydrophobicContact CD1-CE2 4.43Å
153	E	93.7	Very high	90.4	Very high	53 Å²	53	46.1 Å²	46.1	25%	0.248	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.5	169.6	-65.9	167.5	111.3	0	0	108.6	R53 I54 K57 G121	R53-E153 IonicContact CZ-OE2 3.08Å; R53-E153 IonicContact NE-OE1 3.39Å; R53-E153 PolarHBondContact NE-OE1 3.28Å; R53-E153 IonicContact NE-OE2 3.21Å; R53-E153 PolarHBondContact NE-OE2 3.01Å; R53-E153 IonicContact NH2-OE2 2.7Å; R53-E153 PolarHBondContact NH2-OE2 2.94Å; I54-E153 HydrophobicContact CD1-CG 4.11Å; I54-E153 HydrophobicContact CG1-CG 3.82Å; K57-E153 IonicContact NZ-OE1 3.72Å; K57-E153 PolarHBondContact NZ-OE1 3Å; G121-E153 CarbonylContact O-C 3.26Å; G121-E153 WeakPolarHBondContact O-CA 3.4Å
154	V	92.4	Very high	90	Very high	10 Å²	10	51 Å²	51	6%	0.061	28%	0.275	C	S	.	.			trans	-118.8	146.6	-179.2	-57.8	0	0	0	0	110.8	G121 V123 I152 Y162 K183	G121-V154 PolarHBondContact O-N 2.68Å; V123-V154 HydrophobicContact CB-CG1 4.49Å; V123-V154 HydrophobicContact CG2-CB 4.46Å; V123-V154 HydrophobicContact CG2-CG1 3.6Å; V123-V154 HydrophobicContact CG2-CG2 3.93Å; I152-V154 HydrophobicContact CD1-CG1 3.88Å; I152-V154 HydrophobicContact CG1-CG1 4.32Å; V154-Y162 HydrophobicContact CG1-CE2 3.86Å; V154-K183 HydrophobicContact CG2-CG 4.25Å
155	Q	87.6	Confident	89.6	Confident	167 Å²	167	50.9 Å²	50.9	78%	0.78	28%	0.279	S	S	*	.			trans	-99.6	108.1	179.6	-67.5	-174.8	-6.4	0	0	110.7	D157 T158	Q155-D157 PolarHBondContact O-N 3.4Å; Q155-T158 WeakPolarHBondContact O-CB 3.5Å; Q155-T158 PolarHBondContact O-N 2.86Å; Q155-T158 PolarHBondContact O-OG1 3Å
156	G	84.6	Confident	89	Confident	49 Å²	49	51.7 Å²	51.7	51%	0.505	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	-128.3	-175.7	0	0	0	0	0	111.7	K183	G156-K183 VanDerWaalsContact O-CE 3.27Å; G156-K183 WeakPolarHBondContact O-CE 3.34Å; G156-K183 PolarHBondContact O-NZ 2.83Å
157	D	81.4	Confident	88.3	Confident	122 Å²	122	52.7 Å²	52.7	65%	0.652	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	28.7	175.4	-58.3	-55.9	0	0	0	111.7	Q155 D159 K183	Q155-D157 PolarHBondContact O-N 3.4Å; D157-D159 PolarHBondContact O-N 3.02Å; D157-K183 IonicContact OD1-NZ 2.69Å; D157-K183 PolarHBondContact OD1-NZ 2.74Å
158	T	86.1	Confident	87.8	Confident	83 Å²	83	51.6 Å²	51.6	51%	0.509	29%	0.289	S	S	.	.			trans	-74.3	119.1	178.4	-44.2	0	0	0	0	110.3	Q155 V160	Q155-T158 WeakPolarHBondContact O-CB 3.5Å; Q155-T158 PolarHBondContact O-N 2.86Å; Q155-T158 PolarHBondContact O-OG1 3Å; T158-V160 HydrophobicContact CG2-CG2 4.03Å
159	D	86.9	Confident	87	Confident	37 Å²	37	52 Å²	52	20%	0.198	30%	0.295	C	S	.	.			trans	-76.2	123.9	172.7	-64.5	-54.8	0	0	0	110.5	D157 P180 S182 R267	D157-D159 PolarHBondContact O-N 3.02Å; D159-P180 HydrophobicContact CB-CB 3.98Å; D159-S182 WeakPolarHBondContact OD1-CB 3.32Å; D159-R267 IonicContact OD2-CZ 3.69Å; D159-R267 IonicContact OD2-NH1 2.66Å; D159-R267 PolarHBondContact OD2-NH1 3.31Å; D159-R267 IonicContact OD2-NH2 2.67Å; D159-R267 PolarHBondContact OD2-NH2 2.85Å
160	V	89.2	Confident	86.6	Confident	61 Å²	61	52.2 Å²	52.2	37%	0.37	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-136.5	150.3	-178.2	177.8	0	0	0	0	109.7	T158 Y162 Y181	T158-V160 HydrophobicContact CG2-CG2 4.03Å; V160-Y162 HydrophobicContact CB-CD2 4.17Å; V160-Y162 HydrophobicContact CB-CE2 3.59Å; V160-Y162 HydrophobicContact CG1-CE1 4.45Å; V160-Y162 HydrophobicContact CG1-CE2 4.27Å; V160-Y162 WeakPolarHBondContact O-CD2 3.25Å; V160-Y162 PolarHBondContact O-N 3.14Å; V160-Y162 VanDerWaalsContact O-N 3.14Å; V160-Y181 PolarHBondContact N-O 2.88Å; V160-Y181 PolarHBondContact O-N 3.25Å
161	W	91.2	Very high	86.6	Confident	102 Å²	102	49.6 Å²	49.6	39%	0.386	28%	0.277	S	S	.	.			trans	-81	91.1	175.7	-179.4	-116.8	0	0	0	111.7	G163 F164 K178 Y181	W161-G163 PolarHBondContact O-N 2.84Å; W161-F164 HydrophobicContact CH2-CB 4.27Å; W161-F164 HydrophobicContact CZ2-CB 4.31Å; W161-K178 HydrophobicContact CH2-CB 3.99Å; W161-K178 HydrophobicContact CH2-CG 4.12Å; W161-K178 HydrophobicContact CZ2-CB 4.18Å; W161-K178 HydrophobicContact CZ2-CG 4.28Å; W161-K178 HydrophobicContact CZ3-CB 4.28Å; W161-Y181 AromaticContact CE3-CD1 3.86Å; W161-Y181 HydrophobicContact CE3-CD1 3.86Å; W161-Y181 AromaticContact CE3-CE1 3.7Å; W161-Y181 HydrophobicContact CE3-CE1 3.7Å; W161-Y181 AromaticContact CZ3-CD1 3.9Å; W161-Y181 HydrophobicContact CZ3-CD1 3.9Å; W161-Y181 AromaticContact CZ3-CE1 3.61Å; W161-Y181 HydrophobicContact CZ3-CE1 3.61Å
162	Y	87.9	Confident	86.2	Confident	67 Å²	67	49.6 Å²	49.6	26%	0.263	28%	0.277	S	S	.	.			trans	-82.2	16.3	176.9	-61.2	-85.3	0	0	0	114.2	R125 I152 V154 V160 Y181	R125-Y162 PolarHBondContact NH1-O 3.05Å; I152-Y162 HydrophobicContact CB-CD1 4.34Å; I152-Y162 HydrophobicContact CD1-CD1 3.72Å; I152-Y162 HydrophobicContact CD1-CD2 3.33Å; I152-Y162 HydrophobicContact CD1-CE1 4.06Å; I152-Y162 HydrophobicContact CD1-CE2 3.69Å; I152-Y162 HydrophobicContact CD1-CG 3.34Å; I152-Y162 HydrophobicContact CG2-CD1 4.22Å; V154-Y162 HydrophobicContact CG1-CE2 3.86Å; V160-Y162 HydrophobicContact CB-CD2 4.17Å; V160-Y162 HydrophobicContact CB-CE2 3.59Å; V160-Y162 HydrophobicContact CG1-CE1 4.45Å; V160-Y162 HydrophobicContact CG1-CE2 4.27Å; V160-Y162 WeakPolarHBondContact O-CD2 3.25Å; V160-Y162 PolarHBondContact O-N 3.14Å; V160-Y162 VanDerWaalsContact O-N 3.14Å; Y162-Y181 HydrophobicContact CD2-CD2 4.46Å; Y162-Y181 HydrophobicContact CD2-CE2 4.17Å
163	G	88.1	Confident	86	Confident	24 Å²	24	49.2 Å²	49.2	25%	0.247	28%	0.275	C	S	.	.			trans	81.2	170.6	-177.3	0	0	0	0	0	114.4	W161 Y181	W161-G163 PolarHBondContact O-N 2.84Å; G163-Y181 PolarHBondContact O-OH 3.04Å
164	F	88.4	Confident	85.9	Confident	104 Å²	104	46.8 Å²	46.8	46%	0.456	26%	0.263	S	S	.	.	S	Bend	trans	-83	117.4	176	-170.5	-81.2	0	0	0	109.7	W161 L171 V175 L176 Y232	W161-F164 HydrophobicContact CH2-CB 4.27Å; W161-F164 HydrophobicContact CZ2-CB 4.31Å; F164-L171 HydrophobicContact CE1-CD1 3.76Å; F164-L171 HydrophobicContact CE2-CD1 4.12Å; F164-L171 HydrophobicContact CZ-CD1 3.4Å; F164-V175 HydrophobicContact CD2-CG1 4Å; F164-V175 HydrophobicContact CE2-CG1 4.49Å; F164-V175 HydrophobicContact CG-CG1 4.4Å; F164-L176 HydrophobicContact CE2-CD2 3.67Å; F164-L176 HydrophobicContact CZ-CD2 3.94Å; F164-Y232 HydrophobicContact CZ-CE2 4.37Å
165	A	86.6	Confident	85.8	Confident	21 Å²	21	46.5 Å²	46.5	17%	0.174	26%	0.262	C	S	.	.			trans	-158.6	152.6	178.9	0	0	0	0	0	110.2	L150 L171	L150-A165 HydrophobicContact CD2-CB 4.35Å; A165-L171 WeakPolarHBondContact O-CD2 3.2Å
166	G	83.3	Confident	85.9	Confident	19 Å²	19	39.2 Å²	39.2	20%	0.196	23%	0.228	C	C	.	.	S	Bend	trans	117.2	163.8	-176	0	0	0	0	0	112.5	R125 D126	R125-G166 WeakPolarHBondContact O-CA 3.41Å; D126-G166 WeakPolarHBondContact OD1-CA 3.45Å
167	T	77.3	Confident	86.1	Confident	31 Å²	31	41 Å²	41	19%	0.19	22%	0.222	C	C	.	.			trans	-80.8	131.2	-175.8	-60.5	0	0	0	0	111.6	D126 K128 G169 Y170 L171	D126-T167 WeakPolarHBondContact OD1-CB 3.48Å; D126-T167 PolarHBondContact OD1-N 3.27Å; D126-T167 PolarHBondContact OD1-OG1 2.67Å; K128-T167 HydrophobicContact CD-CG2 4.29Å; K128-T167 VanDerWaalsContact CD-OG1 3.3Å; K128-T167 WeakPolarHBondContact CD-OG1 3.37Å; K128-T167 PolarHBondContact NZ-OG1 2.65Å; K128-T167 VanDerWaalsContact NZ-OG1 3.09Å; T167-G169 PolarHBondContact O-N 2.86Å; T167-G169 VanDerWaalsContact O-N 3.09Å; T167-Y170 HydrophobicContact CG2-CD2 3.88Å; T167-Y170 HydrophobicContact CG2-CE2 4.18Å; T167-Y170 WeakPolarHBondContact O-CA 3.4Å; T167-Y170 PolarHBondContact O-N 3.01Å; T167-L171 PolarHBondContact O-N 3.3Å
168	P	80	Confident	86.5	Confident	45 Å²	45	42.7 Å²	42.7	29%	0.292	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-48.3	-43.9	-162.6	-35.2	37.2	0	0	0	118.4	Y170 L171 L231 Y232 I235	P168-Y170 PolarHBondContact O-N 2.81Å; P168-L171 PolarHBondContact O-N 3.13Å; P168-L231 HydrophobicContact CB-CD2 4.39Å; P168-Y232 HydrophobicContact CB-CE1 3.98Å; P168-I235 WeakPolarHBondContact O-CD1 3.18Å
169	G	75.2	Confident	86.8	Confident	13 Å²	13	42.7 Å²	42.7	13%	0.134	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-71.8	-15.5	179.5	0	0	0	0	0	114.7	T167	T167-G169 PolarHBondContact O-N 2.86Å; T167-G169 VanDerWaalsContact O-N 3.09Å
170	Y	82.9	Confident	87	Confident	19 Å²	19	44.4 Å²	44.4	8%	0.075	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-108.6	2.7	-178	-51.1	-91	0	0	0	112.2	L127 K128 P129 T167 P168 V211 I212 I215	L127-Y170 WeakPolarHBondContact O-CB 3.15Å; L127-Y170 WeakPolarHBondContact O-CD1 3.43Å; K128-Y170 HydrophobicContact CB-CD1 4.36Å; K128-Y170 HydrophobicContact CB-CD2 3.97Å; K128-Y170 HydrophobicContact CB-CE1 4.29Å; K128-Y170 HydrophobicContact CB-CE2 3.88Å; K128-Y170 HydrophobicContact CB-CG 4.23Å; P129-Y170 VanDerWaalsContact CD-CZ 3.43Å; P129-Y170 WeakPolarHBondContact CD-OH 3.31Å; P129-Y170 WeakPolarHBondContact CG-OH 3.45Å; T167-Y170 HydrophobicContact CG2-CD2 3.88Å; T167-Y170 HydrophobicContact CG2-CE2 4.18Å; T167-Y170 WeakPolarHBondContact O-CA 3.4Å; T167-Y170 PolarHBondContact O-N 3.01Å; P168-Y170 PolarHBondContact O-N 2.81Å; Y170-V211 HydrophobicContact CD1-CB 3.75Å; Y170-V211 HydrophobicContact CD1-CG1 3.49Å; Y170-V211 VanDerWaalsContact CD1-CG1 3.49Å; Y170-V211 HydrophobicContact CD1-CG2 4.47Å; Y170-V211 HydrophobicContact CE1-CB 4.07Å; Y170-V211 HydrophobicContact CE1-CG1 3.4Å; Y170-V211 HydrophobicContact CG-CG1 4.38Å; Y170-I212 HydrophobicContact CD1-CG1 4.32Å; Y170-I212 HydrophobicContact CE1-CG1 4.11Å; Y170-I215 HydrophobicContact CE1-CD1 4.24Å; Y170-I215 WeakPolarHBondContact OH-CD1 3.09Å
171	L	87.5	Confident	87	Confident	5 Å²	5	41.6 Å²	41.6	3%	0.026	21%	0.214	C	C	.	.			trans	-73.5	140.6	175.9	-70.4	178.8	0	0	0	111.6	F164 A165 T167 P168 V175 L176 W188 Y232 I235	F164-L171 HydrophobicContact CE1-CD1 3.76Å; F164-L171 HydrophobicContact CE2-CD1 4.12Å; F164-L171 HydrophobicContact CZ-CD1 3.4Å; A165-L171 WeakPolarHBondContact O-CD2 3.2Å; T167-L171 PolarHBondContact O-N 3.3Å; P168-L171 PolarHBondContact O-N 3.13Å; L171-V175 HydrophobicContact CD2-CG1 4.24Å; L171-L176 HydrophobicContact CB-CD2 3.88Å; L171-L176 HydrophobicContact CB-CG 4.24Å; L171-L176 HydrophobicContact CD1-CD2 3.7Å; L171-L176 HydrophobicContact CG-CD2 4.45Å; L171-W188 PolarHBondContact O-NE1 3.28Å; L171-Y232 HydrophobicContact CD1-CE1 4.04Å; L171-I235 VanDerWaalsContact O-CG2 3.23Å; L171-I235 WeakPolarHBondContact O-CG2 3.45Å
172	S	86.2	Confident	87	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.014	20%	0.196	C	C	.	.			trans	-90.2	154.9	177.7	74.2	0	0	0	0	113.6	E174 V175 L176	S172-E174 VanDerWaalsContact C-N 3.3Å; S172-E174 WeakPolarHBondContact CB-OE1 3.44Å; S172-E174 PolarHBondContact O-N 2.71Å; S172-E174 WeakPolarHBondContact OG-CG 3.39Å; S172-E174 PolarHBondContact OG-OE1 3.15Å; S172-V175 CarbonylContact O-C 3.33Å; S172-V175 WeakPolarHBondContact O-CA 3.33Å; S172-V175 WeakPolarHBondContact O-CB 3.38Å; S172-V175 PolarHBondContact O-N 3Å; S172-V175 WeakPolarHBondContact OG-CG2 3.2Å; S172-L176 WeakPolarHBondContact O-CG 3.35Å; S172-L176 PolarHBondContact O-N 2.78Å
173	P	89.7	Confident	87.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-55.1	-41.9	178.9	-23	25.7	0	0	0	112.3	V175 L176 K177 W188 I235 V264	P173-V175 VanDerWaalsContact C-N 3.27Å; P173-V175 PolarHBondContact O-N 3.31Å; P173-L176 CarbonylContact O-C 3.59Å; P173-L176 PolarHBondContact O-N 2.91Å; P173-L176 VanDerWaalsContact O-N 3.15Å; P173-K177 HydrophobicContact CB-CD 4.29Å; P173-K177 WeakPolarHBondContact O-CB 3.17Å; P173-K177 WeakPolarHBondContact O-CD 3.21Å; P173-K177 WeakPolarHBondContact O-CG 3.42Å; P173-K177 PolarHBondContact O-N 3.09Å; P173-W188 HydrophobicContact CG-CE3 3.69Å; P173-W188 HydrophobicContact CG-CH2 3.66Å; P173-W188 HydrophobicContact CG-CZ3 3.1Å; P173-I235 HydrophobicContact CG-CG2 4.48Å; P173-V264 HydrophobicContact CB-CG1 4.11Å; P173-V264 HydrophobicContact CB-CG2 4.44Å; P173-V264 HydrophobicContact CG-CB 4.14Å; P173-V264 HydrophobicContact CG-CG1 4.01Å; P173-V264 HydrophobicContact CG-CG2 3.58Å
174	E	90.5	Very high	87.2	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-40.1	177	58.4	-80.3	-177.1	0	0	110.7	S172 K178 E179 V185 P266 R269	S172-E174 VanDerWaalsContact C-N 3.3Å; S172-E174 WeakPolarHBondContact CB-OE1 3.44Å; S172-E174 PolarHBondContact O-N 2.71Å; S172-E174 WeakPolarHBondContact OG-CG 3.39Å; S172-E174 PolarHBondContact OG-OE1 3.15Å; E174-K178 PolarHBondContact O-N 3.32Å; E174-E179 WeakPolarHBondContact CA-OE2 3.09Å; E174-E179 HydrophobicContact CB-CB 4.01Å; E174-E179 PolarHBondContact O-N 2.98Å; E174-V185 HydrophobicContact CG-CG1 4.23Å; E174-P266 HydrophobicContact CG-CG 4.39Å; E174-R269 VanDerWaalsContact CD-NH2 3.34Å; E174-R269 IonicContact OE1-CZ 2.82Å; E174-R269 IonicContact OE1-NH1 3.63Å; E174-R269 PolarHBondContact OE1-NH1 3.41Å; E174-R269 IonicContact OE1-NH2 3.9Å; E174-R269 PolarHBondContact OE1-NH2 3.47Å; E174-R269 VanDerWaalsContact OE1-NH2 3.13Å; E174-R269 IonicContact OE2-CZ 2.68Å; E174-R269 IonicContact OE2-NH1 2.69Å; E174-R269 IonicContact OE2-NH2 3.18Å; E174-R269 PolarHBondContact OE2-NH2 2.86Å
175	V	90.4	Very high	87.2	Confident	5 Å²	5	31.4 Å²	31.4	3%	0.03	17%	0.171	C	C	.	.	H	α-helix	trans	-66.2	-43.4	171.4	-176.6	0	0	0	0	111.9	F164 L171 S172 P173 K177 K178 Y181 V185	F164-V175 HydrophobicContact CD2-CG1 4Å; F164-V175 HydrophobicContact CE2-CG1 4.49Å; F164-V175 HydrophobicContact CG-CG1 4.4Å; L171-V175 HydrophobicContact CD2-CG1 4.24Å; S172-V175 CarbonylContact O-C 3.33Å; S172-V175 WeakPolarHBondContact O-CA 3.33Å; S172-V175 WeakPolarHBondContact O-CB 3.38Å; S172-V175 PolarHBondContact O-N 3Å; S172-V175 WeakPolarHBondContact OG-CG2 3.2Å; P173-V175 VanDerWaalsContact C-N 3.27Å; P173-V175 PolarHBondContact O-N 3.31Å; V175-K177 PolarHBondContact O-N 2.99Å; V175-K178 PolarHBondContact O-N 3.49Å; V175-Y181 HydrophobicContact CG2-CD1 3.84Å; V175-Y181 HydrophobicContact CG2-CD2 4.5Å; V175-Y181 HydrophobicContact CG2-CE1 3.8Å; V175-Y181 HydrophobicContact CG2-CE2 4.46Å; V175-Y181 HydrophobicContact CG2-CG 4.19Å; V175-V185 HydrophobicContact CG2-CG1 4.04Å
176	L	89.6	Confident	87.3	Confident	14 Å²	14	30.5 Å²	30.5	7%	0.073	16%	0.163	C	C	.	.	H	α-helix	trans	-70.9	-24.4	179.3	-64.8	-170.1	0	0	0	114.5	F164 L171 S172 P173 Y232 I235 R236	F164-L176 HydrophobicContact CE2-CD2 3.67Å; F164-L176 HydrophobicContact CZ-CD2 3.94Å; L171-L176 HydrophobicContact CB-CD2 3.88Å; L171-L176 HydrophobicContact CB-CG 4.24Å; L171-L176 HydrophobicContact CD1-CD2 3.7Å; L171-L176 HydrophobicContact CG-CD2 4.45Å; S172-L176 WeakPolarHBondContact O-CG 3.35Å; S172-L176 PolarHBondContact O-N 2.78Å; P173-L176 CarbonylContact O-C 3.59Å; P173-L176 PolarHBondContact O-N 2.91Å; P173-L176 VanDerWaalsContact O-N 3.15Å; L176-Y232 HydrophobicContact CD1-CD1 3.63Å; L176-Y232 HydrophobicContact CD1-CE1 4.44Å; L176-Y232 HydrophobicContact CD1-CG 3.9Å; L176-Y232 HydrophobicContact CD2-CD1 3.66Å; L176-Y232 HydrophobicContact CD2-CD2 4.32Å; L176-Y232 HydrophobicContact CD2-CE1 3.74Å; L176-Y232 HydrophobicContact CD2-CE2 4.39Å; L176-Y232 HydrophobicContact CD2-CG 3.97Å; L176-Y232 HydrophobicContact CG-CD1 4.33Å; L176-I235 HydrophobicContact CD1-CB 3.77Å; L176-I235 HydrophobicContact CD1-CD1 4.41Å; L176-I235 HydrophobicContact CD1-CG2 3.36Å; L176-I235 HydrophobicContact CG-CG2 4.35Å; L176-R236 HydrophobicContact CB-CG 3.75Å; L176-R236 HydrophobicContact CD1-CG 4.05Å
177	K	90	Very high	87.3	Confident	87 Å²	87	29.7 Å²	29.7	38%	0.378	15%	0.154	S	C	.	.	H	α-helix	trans	-89.7	-11.5	175	-68	165.2	-171.5	171.1	0	112.2	P173 V175 E179 R236	P173-K177 HydrophobicContact CB-CD 4.29Å; P173-K177 WeakPolarHBondContact O-CB 3.17Å; P173-K177 WeakPolarHBondContact O-CD 3.21Å; P173-K177 WeakPolarHBondContact O-CG 3.42Å; P173-K177 PolarHBondContact O-N 3.09Å; V175-K177 PolarHBondContact O-N 2.99Å; K177-E179 VanDerWaalsContact C-N 3.32Å; K177-E179 HydrophobicContact CB-CG 3.82Å; K177-E179 WeakPolarHBondContact CD-OE1 3.28Å; K177-E179 WeakPolarHBondContact CD-OE2 3.38Å; K177-R236 HydrophobicContact CG-CG 4.26Å
178	K	90.5	Very high	87.5	Confident	156 Å²	156	28.2 Å²	28.2	68%	0.678	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.5	31.2	-174.5	-47.5	173.5	-173.1	173	0	113.3	W161 E174 V175	W161-K178 HydrophobicContact CH2-CB 3.99Å; W161-K178 HydrophobicContact CH2-CG 4.12Å; W161-K178 HydrophobicContact CZ2-CB 4.18Å; W161-K178 HydrophobicContact CZ2-CG 4.28Å; W161-K178 HydrophobicContact CZ3-CB 4.28Å; E174-K178 PolarHBondContact O-N 3.32Å; V175-K178 PolarHBondContact O-N 3.49Å
179	E	90.9	Very high	86.9	Confident	83 Å²	83	26.2 Å²	26.2	39%	0.388	13%	0.133	S	C	.	.			trans	-78.5	147.4	172.8	-65.8	167	165.7	0	0	109.6	E174 K177	E174-E179 WeakPolarHBondContact CA-OE2 3.09Å; E174-E179 HydrophobicContact CB-CB 4.01Å; E174-E179 PolarHBondContact O-N 2.98Å; K177-E179 VanDerWaalsContact C-N 3.32Å; K177-E179 HydrophobicContact CB-CG 3.82Å; K177-E179 WeakPolarHBondContact CD-OE1 3.28Å; K177-E179 WeakPolarHBondContact CD-OE2 3.38Å
180	P	91.2	Very high	86	Confident	73 Å²	73	25.6 Å²	25.6	47%	0.474	13%	0.126	S	C	.	.			trans	-57.4	143.8	170.9	-23.5	34.6	0	0	0	111.6	D159	D159-P180 HydrophobicContact CB-CB 3.98Å
181	Y	89.7	Confident	84.3	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.008	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-145.6	169.2	-173.9	66.7	-99	0	0	0	113.2	R125 I152 V160 W161 Y162 G163 V175 V185	R125-Y181 HydrophobicContact CG-CE2 4.49Å; R125-Y181 PolarHBondContact NH1-OH 2.94Å; I152-Y181 HydrophobicContact CD1-CE2 4.43Å; V160-Y181 PolarHBondContact N-O 2.88Å; V160-Y181 PolarHBondContact O-N 3.25Å; W161-Y181 AromaticContact CE3-CD1 3.86Å; W161-Y181 HydrophobicContact CE3-CD1 3.86Å; W161-Y181 AromaticContact CE3-CE1 3.7Å; W161-Y181 HydrophobicContact CE3-CE1 3.7Å; W161-Y181 AromaticContact CZ3-CD1 3.9Å; W161-Y181 HydrophobicContact CZ3-CD1 3.9Å; W161-Y181 AromaticContact CZ3-CE1 3.61Å; W161-Y181 HydrophobicContact CZ3-CE1 3.61Å; Y162-Y181 HydrophobicContact CD2-CD2 4.46Å; Y162-Y181 HydrophobicContact CD2-CE2 4.17Å; G163-Y181 PolarHBondContact O-OH 3.04Å; V175-Y181 HydrophobicContact CG2-CD1 3.84Å; V175-Y181 HydrophobicContact CG2-CD2 4.5Å; V175-Y181 HydrophobicContact CG2-CE1 3.8Å; V175-Y181 HydrophobicContact CG2-CE2 4.46Å; V175-Y181 HydrophobicContact CG2-CG 4.19Å; Y181-V185 HydrophobicContact CD2-CG1 3.49Å; Y181-V185 VanDerWaalsContact CD2-CG1 3.49Å; Y181-V185 HydrophobicContact CD2-CG2 4.25Å; Y181-V185 HydrophobicContact CE2-CG1 4.24Å; Y181-V185 HydrophobicContact CE2-CG2 4.44Å; Y181-V185 HydrophobicContact CG-CG1 3.83Å
182	S	90.6	Very high	82.1	Confident	3 Å²	3	24.4 Å²	24.4	2%	0.021	12%	0.121	C	C	.	.			trans	-153.1	-151.6	-179.8	-167.5	0	0	0	0	109.9	D159 P184 V185	D159-S182 WeakPolarHBondContact OD1-CB 3.32Å; S182-P184 VanDerWaalsContact C-N 3.3Å; S182-P184 VanDerWaalsContact O-CD 3.3Å; S182-P184 WeakPolarHBondContact O-CD 3.4Å; S182-V185 WeakPolarHBondContact O-CG2 3.42Å; S182-V185 PolarHBondContact O-N 3.01Å
183	K	91.8	Very high	79.6	Confident	39 Å²	39	24.3 Å²	24.3	17%	0.17	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-36.1	-41.4	179.5	-61.2	164.5	-171.5	171.1	0	116.5	H118 V123 V154 G156 D157 V185 D186	H118-K183 HydrophobicContact CB-CD 4.08Å; H118-K183 HydrophobicContact CB-CG 4.19Å; H118-K183 PolarHBondContact CE1-O 3.34Å; H118-K183 PolarHBondContact NE2-O 3.48Å; H118-K183 VanDerWaalsContact O-CE 3.29Å; H118-K183 WeakPolarHBondContact O-CE 3.19Å; V123-K183 HydrophobicContact CG2-CB 4.4Å; V123-K183 HydrophobicContact CG2-CG 3.96Å; V154-K183 HydrophobicContact CG2-CG 4.25Å; G156-K183 VanDerWaalsContact O-CE 3.27Å; G156-K183 WeakPolarHBondContact O-CE 3.34Å; G156-K183 PolarHBondContact O-NZ 2.83Å; D157-K183 IonicContact OD1-NZ 2.69Å; D157-K183 PolarHBondContact OD1-NZ 2.74Å; K183-V185 PolarHBondContact O-N 3.06Å; K183-D186 PolarHBondContact O-N 3.06Å; K183-D186 VanDerWaalsContact O-N 3.16Å
184	P	88.4	Confident	76.8	Confident	31 Å²	31	27.5 Å²	27.5	20%	0.201	13%	0.133	C	C	.	.	H	α-helix	trans	-58.1	-21.6	-176.2	-28.9	38.7	0	0	0	115.6	S182 D186 V187 W188 P266 R269	S182-P184 VanDerWaalsContact C-N 3.3Å; S182-P184 VanDerWaalsContact O-CD 3.3Å; S182-P184 WeakPolarHBondContact O-CD 3.4Å; P184-D186 PolarHBondContact O-N 3.3Å; P184-V187 PolarHBondContact O-N 2.93Å; P184-V187 VanDerWaalsContact O-N 3.12Å; P184-W188 PolarHBondContact O-N 2.89Å; P184-W188 VanDerWaalsContact O-N 3.1Å; P184-P266 HydrophobicContact CB-CB 3.67Å; P184-P266 HydrophobicContact CG-CB 3.96Å; P184-R269 WeakPolarHBondContact O-CD 3.5Å; P184-R269 PolarHBondContact O-NH1 3.29Å
185	V	88.8	Confident	73.9	Confident	11 Å²	11	30.3 Å²	30.3	7%	0.067	16%	0.156	C	C	.	.	H	α-helix	trans	-62.2	-29.6	178.5	-54.3	0	0	0	0	112.8	V123 R125 E174 V175 Y181 S182 K183 W188	V123-V185 HydrophobicContact CG1-CG2 3.44Å; V123-V185 VanDerWaalsContact CG1-CG2 3.44Å; R125-V185 HydrophobicContact CG-CG2 4.15Å; E174-V185 HydrophobicContact CG-CG1 4.23Å; V175-V185 HydrophobicContact CG2-CG1 4.04Å; Y181-V185 HydrophobicContact CD2-CG1 3.49Å; Y181-V185 VanDerWaalsContact CD2-CG1 3.49Å; Y181-V185 HydrophobicContact CD2-CG2 4.25Å; Y181-V185 HydrophobicContact CE2-CG1 4.24Å; Y181-V185 HydrophobicContact CE2-CG2 4.44Å; Y181-V185 HydrophobicContact CG-CG1 3.83Å; S182-V185 WeakPolarHBondContact O-CG2 3.42Å; S182-V185 PolarHBondContact O-N 3.01Å; K183-V185 PolarHBondContact O-N 3.06Å; V185-W188 WeakPolarHBondContact O-CB 3.49Å; V185-W188 PolarHBondContact O-N 2.83Å
186	D	89.3	Confident	71.2	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-72.2	-35.3	176.3	-66.5	-24.3	0	0	0	110.9	I114 H118 V123 H124 R125 L127 K183 P184 W188 A189 C190	I114-D186 HydrophobicContact CG2-CB 3.97Å; H118-D186 IonicContact CD2-OD2 3.17Å; H118-D186 IonicContact CE1-OD2 3.07Å; H118-D186 IonicContact NE2-OD2 2.72Å; H118-D186 PolarHBondContact NE2-OD2 3.21Å; V123-D186 WeakPolarHBondContact CA-OD2 3.47Å; V123-D186 VanDerWaalsContact CG1-OD2 3.28Å; V123-D186 WeakPolarHBondContact CG1-OD2 3.47Å; H124-D186 WeakPolarHBondContact CA-OD1 3.39Å; H124-D186 WeakPolarHBondContact CB-OD1 3.32Å; H124-D186 VanDerWaalsContact N-CG 3.31Å; H124-D186 PolarHBondContact N-OD1 2.83Å; H124-D186 PolarHBondContact N-OD2 2.89Å; R125-D186 PolarHBondContact N-OD1 3.29Å; L127-D186 HydrophobicContact CD1-CB 3.73Å; L127-D186 WeakPolarHBondContact CD1-O 3.37Å; K183-D186 PolarHBondContact O-N 3.06Å; K183-D186 VanDerWaalsContact O-N 3.16Å; P184-D186 PolarHBondContact O-N 3.3Å; D186-W188 VanDerWaalsContact C-N 3.28Å; D186-W188 PolarHBondContact O-N 3.44Å; D186-A189 WeakPolarHBondContact O-CB 3.32Å; D186-A189 PolarHBondContact O-N 3.27Å; D186-C190 PolarHBondContact O-SG 2.93Å; D186-C190 VanDerWaalsContact O-SG 3.39Å
187	V	83.9	Confident	68.5	Low	2 Å²	2	40.8 Å²	40.8	1%	0.012	22%	0.22	C	C	.	.	H	α-helix	trans	-69	-28.7	174.7	-170.4	0	0	0	0	111.3	P184 A189 C190 M261 R269 I270	P184-V187 PolarHBondContact O-N 2.93Å; P184-V187 VanDerWaalsContact O-N 3.12Å; V187-A189 PolarHBondContact O-N 3.38Å; V187-C190 PolarHBondContact O-N 2.94Å; V187-M261 HydrophobicContact CG1-CB 4.22Å; V187-M261 HydrophobicContact CG1-CG 4.21Å; V187-R269 HydrophobicContact CB-CG 4.43Å; V187-R269 HydrophobicContact CG1-CG 4.27Å; V187-I270 HydrophobicContact CG1-CG2 3.99Å
188	W	80.4	Confident	65.7	Low	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.5	-27.9	168.6	176.9	-75.4	0	0	0	111.7	L171 P173 P184 V185 D186 C190 I208 A209 G210 V211 F223 I235 V264	L171-W188 PolarHBondContact O-NE1 3.28Å; P173-W188 HydrophobicContact CG-CE3 3.69Å; P173-W188 HydrophobicContact CG-CH2 3.66Å; P173-W188 HydrophobicContact CG-CZ3 3.1Å; P184-W188 PolarHBondContact O-N 2.89Å; P184-W188 VanDerWaalsContact O-N 3.1Å; V185-W188 WeakPolarHBondContact O-CB 3.49Å; V185-W188 PolarHBondContact O-N 2.83Å; D186-W188 VanDerWaalsContact C-N 3.28Å; D186-W188 PolarHBondContact O-N 3.44Å; W188-C190 VanDerWaalsContact C-N 3.26Å; W188-C190 PolarHBondContact O-N 3.04Å; W188-I208 WeakPolarHBondContact CH2-O 3.13Å; W188-I208 WeakPolarHBondContact CZ3-O 3.24Å; W188-A209 WeakPolarHBondContact CA-O 3.29Å; W188-A209 HydrophobicContact CB-CB 4.25Å; W188-A209 HydrophobicContact CD2-CB 3.58Å; W188-A209 HydrophobicContact CE3-CB 2.84Å; W188-A209 HydrophobicContact CG-CB 4.23Å; W188-A209 HydrophobicContact CH2-CB 4.15Å; W188-A209 HydrophobicContact CZ3-CB 3.16Å; W188-G210 CarbonylContact O-C 3.48Å; W188-G210 WeakPolarHBondContact O-CA 3.43Å; W188-G210 PolarHBondContact O-N 2.69Å; W188-G210 VanDerWaalsContact O-N 3.07Å; W188-V211 PolarHBondContact O-N 3.41Å; W188-F223 HydrophobicContact CH2-CE2 4.04Å; W188-F223 AromaticContact CH2-CZ 3.76Å; W188-F223 HydrophobicContact CH2-CZ 3.76Å; W188-F223 HydrophobicContact CZ2-CD2 4.21Å; W188-F223 AromaticContact CZ2-CE2 3.34Å; W188-F223 HydrophobicContact CZ2-CE2 3.34Å; W188-F223 AromaticContact CZ2-CZ 3.57Å; W188-F223 HydrophobicContact CZ2-CZ 3.57Å; W188-I235 HydrophobicContact CH2-CG2 3.93Å; W188-I235 WeakPolarHBondContact CH2-O 3.43Å; W188-I235 HydrophobicContact CZ2-CB 4.37Å; W188-I235 HydrophobicContact CZ2-CG1 4.49Å; W188-I235 HydrophobicContact CZ2-CG2 3.57Å; W188-V264 HydrophobicContact CH2-CG2 4.35Å; W188-V264 HydrophobicContact CZ3-CG2 3.89Å
189	A	67.6	Low	62.8	Low	3 Å²	3	44 Å²	44	3%	0.025	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-6.5	178	0	0	0	0	0	113.5	L127 D186 V187 V211 I212	L127-A189 HydrophobicContact CB-CB 3.26Å; L127-A189 HydrophobicContact CD1-CB 3.9Å; L127-A189 HydrophobicContact CG-CB 4.25Å; D186-A189 WeakPolarHBondContact O-CB 3.32Å; D186-A189 PolarHBondContact O-N 3.27Å; V187-A189 PolarHBondContact O-N 3.38Å; A189-V211 CarbonylContact O-C 3.6Å; A189-V211 PolarHBondContact O-N 3.47Å; A189-I212 HydrophobicContact CB-CD1 4.09Å; A189-I212 WeakPolarHBondContact O-CB 3.39Å; A189-I212 VanDerWaalsContact O-CD1 3.26Å; A189-I212 WeakPolarHBondContact O-CD1 3.35Å; A189-I212 WeakPolarHBondContact O-CG1 2.99Å; A189-I212 PolarHBondContact O-N 2.65Å
190	C	55.7	Low	59.9	Low	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-103.3	-14.3	-155.2	-72.3	0	0	0	0	121	I107 D186 V187 W188 L213 M261	I107-C190 HydrophobicContact CD1-CB 4.31Å; I107-C190 WeakPolarHBondContact CD1-O 3.43Å; D186-C190 PolarHBondContact O-SG 2.93Å; D186-C190 VanDerWaalsContact O-SG 3.39Å; V187-C190 PolarHBondContact O-N 2.94Å; W188-C190 VanDerWaalsContact C-N 3.26Å; W188-C190 PolarHBondContact O-N 3.04Å; C190-L213 WeakPolarHBondContact O-CB 3.33Å; C190-L213 PolarHBondContact O-N 2.85Å; C190-M261 HydrophobicContact CB-CE 4.34Å; C190-M261 HydrophobicContact CB-SD 3.66Å
191	G	47.5	Very low	56.9	Low	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.275	C	S	.	.			trans	-119.1	167.9	-158.4	0	0	0	0	0	122.8	G210 V211 Y214 I258	G191-G210 VanDerWaalsContact N-C 3.31Å; G191-G210 CarbonylContact O-C 3.56Å; G191-G210 VanDerWaalsContact O-C 3.26Å; G191-G210 VanDerWaalsContact O-O 3.07Å; G191-V211 CarbonylContact O-C 3.6Å; G191-V211 PolarHBondContact O-N 2.92Å; G191-Y214 WeakPolarHBondContact O-CB 3.21Å; G191-Y214 PolarHBondContact O-N 3.02Å; G191-I258 VanDerWaalsContact CA-CG2 3.46Å
192	L	40.6	Very low	53.9	Low	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.313	C	S	.	.			trans	-131.7	116.6	155.8	-148.7	172.1	0	0	0	119.1	Y214 L217 V218 Y242 W247 I258	L192-Y214 HydrophobicContact CB-CD2 4.29Å; L192-Y214 HydrophobicContact CB-CG 4.26Å; L192-Y214 HydrophobicContact CD1-CD1 3.65Å; L192-Y214 HydrophobicContact CD1-CD2 4.31Å; L192-Y214 HydrophobicContact CD1-CE1 3.96Å; L192-Y214 HydrophobicContact CD1-CG 3.88Å; L192-Y214 VanDerWaalsContact CD1-O 3.32Å; L192-Y214 WeakPolarHBondContact CD1-O 3.32Å; L192-Y214 HydrophobicContact CD2-CD1 4.35Å; L192-Y214 HydrophobicContact CD2-CD2 3.74Å; L192-Y214 HydrophobicContact CD2-CE1 4.2Å; L192-Y214 HydrophobicContact CD2-CE2 3.53Å; L192-Y214 HydrophobicContact CD2-CG 4.18Å; L192-Y214 VanDerWaalsContact CG-CA 3.49Å; L192-Y214 HydrophobicContact CG-CD1 3.72Å; L192-Y214 HydrophobicContact CG-CD2 3.45Å; L192-Y214 VanDerWaalsContact CG-CD2 3.45Å; L192-Y214 HydrophobicContact CG-CE1 4.04Å; L192-Y214 HydrophobicContact CG-CE2 3.78Å; L192-Y214 HydrophobicContact CG-CG 3.45Å; L192-Y214 VanDerWaalsContact CG-CG 3.45Å; L192-L217 HydrophobicContact CB-CD1 4.15Å; L192-L217 HydrophobicContact CD1-CB 3.62Å; L192-L217 HydrophobicContact CD1-CD1 4.36Å; L192-V218 HydrophobicContact CD1-CG2 3.83Å; L192-Y242 HydrophobicContact CD2-CD1 4.22Å; L192-Y242 HydrophobicContact CD2-CE1 4.38Å; L192-W247 HydrophobicContact CD1-CH2 3.34Å; L192-W247 HydrophobicContact CD1-CZ2 3.07Å; L192-W247 HydrophobicContact CD2-CD2 4.32Å; L192-W247 HydrophobicContact CD2-CE3 4.24Å; L192-W247 HydrophobicContact CD2-CH2 3.22Å; L192-W247 HydrophobicContact CD2-CZ2 3.25Å; L192-W247 HydrophobicContact CD2-CZ3 3.7Å; L192-W247 HydrophobicContact CG-CH2 3.76Å; L192-W247 HydrophobicContact CG-CZ2 3.74Å; L192-I258 HydrophobicContact CB-CD1 4.3Å; L192-I258 VanDerWaalsContact N-CD1 3.34Å; L192-I258 WeakPolarHBondContact O-CB 3.02Å; L192-I258 WeakPolarHBondContact O-CD1 3.35Å; L192-I258 WeakPolarHBondContact O-CG1 3.28Å
193	A	33.7	Very low	50.9	Low	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.356	C	S	.	.			trans	-94.3	-171.8	-172.2	0	0	0	0	0	118.3	Y240 Y242 W247 K255 I258 N259 L262	A193-Y240 HydrophobicContact CB-CE2 4.36Å; A193-Y242 HydrophobicContact CB-CE1 3.75Å; A193-Y242 WeakPolarHBondContact CB-OH 3.3Å; A193-Y242 WeakPolarHBondContact O-CD1 3.34Å; A193-Y242 WeakPolarHBondContact O-CE1 3.4Å; A193-W247 WeakPolarHBondContact O-CZ3 3.18Å; A193-K255 WeakPolarHBondContact CA-O 3.47Å; A193-I258 HydrophobicContact CB-CB 4.11Å; A193-I258 HydrophobicContact CB-CG2 3.91Å; A193-N259 WeakPolarHBondContact CB-OD1 3.47Å; A193-L262 HydrophobicContact CB-CD1 3.69Å
194	R	31.1	Very low	47.7	Very low	66 Å²	66	76.9 Å²	76.9	25%	0.249	39%	0.39	C	S	.	.			trans	-150.2	136.6	144.4	-176.1	157.5	-173.7	158.4	1.8	112.1	T196 Y242 W247 D248 K255 N259	R194-T196 PolarHBondContact NE-OG1 3.48Å; R194-T196 VanDerWaalsContact NE-OG1 3.16Å; R194-T196 PolarHBondContact NH2-OG1 2.96Å; R194-Y242 VanDerWaalsContact C-OH 3.31Å; R194-Y242 VanDerWaalsContact CA-CE1 3.46Å; R194-Y242 WeakPolarHBondContact CA-OH 3.2Å; R194-Y242 HydrophobicContact CB-CD1 4.05Å; R194-Y242 HydrophobicContact CB-CD2 4.09Å; R194-Y242 HydrophobicContact CB-CE1 4.35Å; R194-Y242 HydrophobicContact CB-CE2 4.37Å; R194-Y242 HydrophobicContact CB-CG 3.81Å; R194-Y242 HydrophobicContact CG-CD1 4.4Å; R194-Y242 HydrophobicContact CG-CD2 3.62Å; R194-Y242 HydrophobicContact CG-CE2 4.18Å; R194-Y242 HydrophobicContact CG-CG 3.65Å; R194-Y242 PolarHBondContact N-OH 2.88Å; R194-Y242 PolarHBondContact NH1-O 3.09Å; R194-W247 HydrophobicContact CB-CE3 4.33Å; R194-D248 IonicContact NH1-OD1 3.94Å; R194-K255 HydrophobicContact CB-CB 3.73Å; R194-K255 HydrophobicContact CB-CD 3.53Å; R194-K255 HydrophobicContact CB-CG 3.41Å; R194-K255 VanDerWaalsContact CB-CG 3.41Å; R194-K255 HydrophobicContact CG-CD 4.48Å; R194-K255 VanDerWaalsContact N-CB 3.34Å; R194-K255 PolarHBondContact N-O 2.8Å; R194-N259 PolarHBondContact O-ND2 3.06Å
195	A	30.4	Very low	44.6	Very low	60 Å²	60	79.3 Å²	79.3	50%	0.496	41%	0.412	S	S	.	.			trans	-130.5	119	165	0	0	0	0	0	110.6	Y242	A195-Y242 HydrophobicContact CB-CE2 4.24Å; A195-Y242 PolarHBondContact N-OH 3.09Å
196	T	32.7	Very low	41.5	Very low	91 Å²	91	84.8 Å²	84.8	56%	0.558	44%	0.441	S	S	*	.			trans	-158.6	110.7	157.2	-40.3	0	0	0	0	109.6	R194	R194-T196 PolarHBondContact NE-OG1 3.48Å; R194-T196 VanDerWaalsContact NE-OG1 3.16Å; R194-T196 PolarHBondContact NH2-OG1 2.96Å
197	V	32.7	Very low	38.6	Very low	148 Å²	148	86.7 Å²	86.7	90%	0.897	45%	0.449	S	S	*	.			trans	-130.8	142.4	150.3	176.4	0	0	0	0	106.1
198	H	31.7	Very low	36.3	Very low	161 Å²	161	88.2 Å²	88.2	75%	0.745	46%	0.457	S	S	*	.			trans	-79.6	166.3	-172.1	-145.3	63	0	0	0	111.8
199	Q	30.7	Very low	34.2	Very low	151 Å²	151	88.2 Å²	88.2	71%	0.706	46%	0.457	S	S	*	.			trans	71.8	123.8	160.5	-89.5	177	-11.2	0	0	121
200	F	29.5	Very low	33.6	Very low	185 Å²	185	88.1 Å²	88.1	81%	0.811	46%	0.456	S	S	*	.			trans	72.2	142.5	147.8	-73.8	-66.7	0	0	0	122.1
201	L	29	Very low	33.9	Very low	152 Å²	152	88.1 Å²	88.1	80%	0.796	46%	0.456	S	S	*	.			trans	67.8	93.3	161.8	-63.8	170	0	0	0	119.3	Q203	L201-Q203 PolarHBondContact O-N 3.19Å
202	N	25.4	Very low	35.5	Very low	152 Å²	152	88.1 Å²	88.1	81%	0.813	46%	0.456	S	S	*	.			trans	18.8	91.2	130.5	-68.6	-30.7	0	0	0	118.1
203	Q	28	Very low	37.6	Very low	200 Å²	200	88.1 Å²	88.1	94%	0.935	46%	0.456	S	S	*	.			trans	-157.5	167.1	139	-119.9	163.5	84.8	0	0	114.8	L201	L201-Q203 PolarHBondContact O-N 3.19Å
204	K	24.6	Very low	39.8	Very low	200 Å²	200	88.3 Å²	88.3	87%	0.87	46%	0.457	S	S	*	.			trans	-86.9	151.3	-165.6	-70.1	171.3	174.3	172.5	0	113.3
205	A	23.9	Very low	42.1	Very low	82 Å²	82	85.8 Å²	85.8	68%	0.678	45%	0.448	S	S	*	.			trans	63.9	90.6	146.6	0	0	0	0	0	118.4
206	L	24	Very low	44.5	Very low	127 Å²	127	83 Å²	83	67%	0.665	43%	0.425	S	S	*	.			trans	-148.8	61.5	155.8	-137.7	74.5	0	0	0	114	I208	L206-I208 WeakPolarHBondContact O-CG2 3.17Å
207	F	27.9	Very low	47	Very low	40 Å²	40	78.6 Å²	78.6	18%	0.175	40%	0.398	C	S	.	.			trans	100	-158.5	139.3	-46.5	-34.4	0	0	0	119.6	T263 V264 N265 K268	F207-T263 HydrophobicContact CB-CG2 3.89Å; F207-T263 HydrophobicContact CD1-CG2 4.43Å; F207-T263 HydrophobicContact CD2-CG2 3.34Å; F207-T263 WeakPolarHBondContact CD2-OG1 3.46Å; F207-T263 HydrophobicContact CE2-CG2 3.97Å; F207-T263 HydrophobicContact CG-CG2 3.63Å; F207-V264 VanDerWaalsContact C-CB 3.46Å; F207-V264 VanDerWaalsContact C-CG2 3.48Å; F207-V264 HydrophobicContact CB-CB 4.3Å; F207-N265 HydrophobicContact CD1-CB 3.48Å; F207-N265 VanDerWaalsContact CD1-CB 3.48Å; F207-N265 HydrophobicContact CE1-CB 3.33Å; F207-N265 HydrophobicContact CG-CB 4.36Å; F207-N265 HydrophobicContact CZ-CB 4.06Å; F207-K268 HydrophobicContact CD2-CB 4.38Å; F207-K268 HydrophobicContact CE2-CB 3.53Å; F207-K268 HydrophobicContact CE2-CD 3.76Å; F207-K268 HydrophobicContact CE2-CG 3.96Å; F207-K268 HydrophobicContact CZ-CB 3.76Å; F207-K268 HydrophobicContact CZ-CD 3.52Å; F207-K268 HydrophobicContact CZ-CG 3.7Å
208	I	34.4	Very low	49.2	Very low	35 Å²	35	72.2 Å²	72.2	18%	0.179	36%	0.359	C	S	.	.				-171.3	139.4	50.9	42.7	-159.8	0	0	0	114.7	W188 L206 G238 Y240 L262 V264	W188-I208 WeakPolarHBondContact CH2-O 3.13Å; W188-I208 WeakPolarHBondContact CZ3-O 3.24Å; L206-I208 WeakPolarHBondContact O-CG2 3.17Å; I208-G238 WeakPolarHBondContact CD1-O 3.28Å; I208-G238 WeakPolarHBondContact CG1-O 3.5Å; I208-G238 WeakPolarHBondContact O-CA 3.3Å; I208-Y240 HydrophobicContact CB-CE1 3.69Å; I208-Y240 WeakPolarHBondContact CB-OH 3.4Å; I208-Y240 HydrophobicContact CD1-CE1 3.81Å; I208-Y240 HydrophobicContact CD1-CE2 3.6Å; I208-Y240 VanDerWaalsContact CD1-OH 3.28Å; I208-Y240 WeakPolarHBondContact CD1-OH 3.46Å; I208-Y240 HydrophobicContact CG1-CD1 4.29Å; I208-Y240 HydrophobicContact CG1-CE1 3.32Å; I208-Y240 HydrophobicContact CG1-CE2 4.1Å; I208-Y240 WeakPolarHBondContact CG1-OH 3.23Å; I208-L262 WeakPolarHBondContact CA-O 3.33Å; I208-L262 HydrophobicContact CB-CB 4.15Å; I208-L262 VanDerWaalsContact CB-O 3.27Å; I208-L262 WeakPolarHBondContact CB-O 3.5Å; I208-L262 WeakPolarHBondContact CG2-O 3.44Å; I208-V264 VanDerWaalsContact C-N 3.34Å; I208-V264 VanDerWaalsContact N-CB 3.27Å; I208-V264 VanDerWaalsContact N-N 3.18Å; I208-V264 WeakPolarHBondContact O-CG2 3.23Å
209	A	37.5	Very low	51.2	Low	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.325	C	S	.	.			trans	-135.8	99.8	-160.4	0	0	0	0	0	128.3	W188 M261 L262 T263	W188-A209 WeakPolarHBondContact CA-O 3.29Å; W188-A209 HydrophobicContact CB-CB 4.25Å; W188-A209 HydrophobicContact CD2-CB 3.58Å; W188-A209 HydrophobicContact CE3-CB 2.84Å; W188-A209 HydrophobicContact CG-CB 4.23Å; W188-A209 HydrophobicContact CH2-CB 4.15Å; W188-A209 HydrophobicContact CZ3-CB 3.16Å; A209-M261 CarbonylContact O-C 3.5Å; A209-L262 VanDerWaalsContact CA-CA 3.42Å; A209-L262 VanDerWaalsContact CA-CD2 3.49Å; A209-L262 VanDerWaalsContact N-CB 3.35Å; A209-L262 WeakPolarHBondContact O-CA 3.45Å; A209-L262 PolarHBondContact O-N 3.18Å; A209-L262 VanDerWaalsContact O-N 3.09Å; A209-T263 VanDerWaalsContact CB-N 3.33Å; A209-T263 WeakPolarHBondContact CB-O 3.43Å
210	G	55.1	Low	53.3	Low	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.301	C	S	.	.			trans	168.8	129.3	-166.6	0	0	0	0	0	115.7	W188 G191 P222 L262	W188-G210 CarbonylContact O-C 3.48Å; W188-G210 WeakPolarHBondContact O-CA 3.43Å; W188-G210 PolarHBondContact O-N 2.69Å; W188-G210 VanDerWaalsContact O-N 3.07Å; G191-G210 VanDerWaalsContact N-C 3.31Å; G191-G210 CarbonylContact O-C 3.56Å; G191-G210 VanDerWaalsContact O-C 3.26Å; G191-G210 VanDerWaalsContact O-O 3.07Å; G210-P222 WeakPolarHBondContact O-CG 3.47Å; G210-L262 VanDerWaalsContact O-CD2 3.22Å; G210-L262 WeakPolarHBondContact O-CD2 3.21Å
211	V	62.1	Low	55.5	Low	1 Å²	1	52.2 Å²	52.2	1%	0.006	27%	0.27	C	S	.	.			trans	-132.7	-39.5	-168.2	-171.4	0	0	0	0	117.8	Y170 W188 A189 G191 Y214 I215 P222 F223	Y170-V211 HydrophobicContact CD1-CB 3.75Å; Y170-V211 HydrophobicContact CD1-CG1 3.49Å; Y170-V211 VanDerWaalsContact CD1-CG1 3.49Å; Y170-V211 HydrophobicContact CD1-CG2 4.47Å; Y170-V211 HydrophobicContact CE1-CB 4.07Å; Y170-V211 HydrophobicContact CE1-CG1 3.4Å; Y170-V211 HydrophobicContact CG-CG1 4.38Å; W188-V211 PolarHBondContact O-N 3.41Å; A189-V211 CarbonylContact O-C 3.6Å; A189-V211 PolarHBondContact O-N 3.47Å; G191-V211 CarbonylContact O-C 3.6Å; G191-V211 PolarHBondContact O-N 2.92Å; V211-Y214 WeakPolarHBondContact O-CA 3.48Å; V211-Y214 WeakPolarHBondContact O-CB 3.49Å; V211-Y214 PolarHBondContact O-N 2.7Å; V211-Y214 VanDerWaalsContact O-N 3.08Å; V211-I215 PolarHBondContact O-N 3.42Å; V211-P222 HydrophobicContact CB-CG 4.35Å; V211-P222 HydrophobicContact CG1-CG 4.15Å; V211-P222 HydrophobicContact CG2-CG 4.2Å; V211-F223 HydrophobicContact CG2-CD2 4.38Å; V211-F223 HydrophobicContact CG2-CE2 4.33Å
212	I	79.6	Confident	57.9	Low	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-72.6	-47.2	-167.7	-77.7	159.3	0	0	0	112.3	F89 I107 I110 L127 L132 Y170 A189 Y214 I215 L216	F89-I212 HydrophobicContact CE2-CG2 4.39Å; F89-I212 HydrophobicContact CZ-CG2 4.22Å; I107-I212 HydrophobicContact CD1-CG2 4.5Å; I110-I212 HydrophobicContact CD1-CG2 4.26Å; L127-I212 HydrophobicContact CB-CD1 3.97Å; L127-I212 HydrophobicContact CD2-CD1 4.38Å; L132-I212 HydrophobicContact CD1-CD1 4.09Å; L132-I212 HydrophobicContact CD1-CG1 4.49Å; L132-I212 HydrophobicContact CD1-CG2 3.74Å; Y170-I212 HydrophobicContact CD1-CG1 4.32Å; Y170-I212 HydrophobicContact CE1-CG1 4.11Å; A189-I212 HydrophobicContact CB-CD1 4.09Å; A189-I212 WeakPolarHBondContact O-CB 3.39Å; A189-I212 VanDerWaalsContact O-CD1 3.26Å; A189-I212 WeakPolarHBondContact O-CD1 3.35Å; A189-I212 WeakPolarHBondContact O-CG1 2.99Å; A189-I212 PolarHBondContact O-N 2.65Å; I212-Y214 PolarHBondContact O-N 2.82Å; I212-Y214 VanDerWaalsContact O-N 3.14Å; I212-I215 PolarHBondContact O-N 2.93Å; I212-L216 HydrophobicContact CG2-CD1 4.34Å; I212-L216 HydrophobicContact CG2-CG 4.47Å; I212-L216 PolarHBondContact O-N 2.66Å
213	L	84.8	Confident	60.6	Low	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.5	-15.8	171.8	-178.5	59.2	0	0	0	111.5	A103 I107 C190 L216 L217 L257 I258 W280	A103-L213 HydrophobicContact CB-CD1 4.1Å; I107-L213 HydrophobicContact CB-CD1 4.36Å; I107-L213 HydrophobicContact CB-CD2 4.3Å; I107-L213 HydrophobicContact CD1-CB 4.2Å; I107-L213 HydrophobicContact CG1-CB 4.31Å; I107-L213 HydrophobicContact CG1-CD2 4.11Å; I107-L213 HydrophobicContact CG2-CD1 4.45Å; I107-L213 HydrophobicContact CG2-CD2 4.07Å; C190-L213 WeakPolarHBondContact O-CB 3.33Å; C190-L213 PolarHBondContact O-N 2.85Å; L213-L216 HydrophobicContact CB-CD1 4.44Å; L213-L216 HydrophobicContact CD1-CB 3.98Å; L213-L216 HydrophobicContact CD1-CD1 3.98Å; L213-L216 PolarHBondContact O-N 3.41Å; L213-L217 HydrophobicContact CD1-CD1 3.83Å; L213-L217 HydrophobicContact CD1-CG 3.78Å; L213-L217 HydrophobicContact CG-CD1 4Å; L213-L217 HydrophobicContact CG-CG 4.38Å; L213-L217 PolarHBondContact O-N 2.8Å; L213-L257 HydrophobicContact CD2-CD2 4.25Å; L213-I258 HydrophobicContact CD2-CD1 3.24Å; L213-I258 HydrophobicContact CD2-CG1 3.89Å; L213-I258 HydrophobicContact CG-CD1 3.89Å; L213-W280 HydrophobicContact CD1-CH2 3.85Å; L213-W280 HydrophobicContact CD1-CZ3 4.07Å; L213-W280 HydrophobicContact CD2-CH2 4.32Å; L213-W280 HydrophobicContact CD2-CZ3 3.82Å
214	Y	81.3	Confident	63	Low	4 Å²	4	35.2 Å²	35.2	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-57.7	-55.2	166.4	-148.2	-55.5	0	0	0	110.9	G191 L192 V211 I212 L216 L217 V218 Y220 P222 E241	G191-Y214 WeakPolarHBondContact O-CB 3.21Å; G191-Y214 PolarHBondContact O-N 3.02Å; L192-Y214 HydrophobicContact CB-CD2 4.29Å; L192-Y214 HydrophobicContact CB-CG 4.26Å; L192-Y214 HydrophobicContact CD1-CD1 3.65Å; L192-Y214 HydrophobicContact CD1-CD2 4.31Å; L192-Y214 HydrophobicContact CD1-CE1 3.96Å; L192-Y214 HydrophobicContact CD1-CG 3.88Å; L192-Y214 VanDerWaalsContact CD1-O 3.32Å; L192-Y214 WeakPolarHBondContact CD1-O 3.32Å; L192-Y214 HydrophobicContact CD2-CD1 4.35Å; L192-Y214 HydrophobicContact CD2-CD2 3.74Å; L192-Y214 HydrophobicContact CD2-CE1 4.2Å; L192-Y214 HydrophobicContact CD2-CE2 3.53Å; L192-Y214 HydrophobicContact CD2-CG 4.18Å; L192-Y214 VanDerWaalsContact CG-CA 3.49Å; L192-Y214 HydrophobicContact CG-CD1 3.72Å; L192-Y214 HydrophobicContact CG-CD2 3.45Å; L192-Y214 VanDerWaalsContact CG-CD2 3.45Å; L192-Y214 HydrophobicContact CG-CE1 4.04Å; L192-Y214 HydrophobicContact CG-CE2 3.78Å; L192-Y214 HydrophobicContact CG-CG 3.45Å; L192-Y214 VanDerWaalsContact CG-CG 3.45Å; V211-Y214 WeakPolarHBondContact O-CA 3.48Å; V211-Y214 WeakPolarHBondContact O-CB 3.49Å; V211-Y214 PolarHBondContact O-N 2.7Å; V211-Y214 VanDerWaalsContact O-N 3.08Å; I212-Y214 PolarHBondContact O-N 2.82Å; I212-Y214 VanDerWaalsContact O-N 3.14Å; Y214-L216 VanDerWaalsContact C-N 3.27Å; Y214-L216 PolarHBondContact O-N 2.7Å; Y214-L217 PolarHBondContact O-N 3.46Å; Y214-V218 HydrophobicContact CD1-CG2 3.89Å; Y214-V218 HydrophobicContact CE1-CG2 3.55Å; Y214-V218 PolarHBondContact O-N 2.85Å; Y214-Y220 HydrophobicContact CD1-CD2 4.45Å; Y214-Y220 WeakPolarHBondContact CD1-O 3.45Å; Y214-Y220 AromaticContact CE1-CD2 3.66Å; Y214-Y220 HydrophobicContact CE1-CD2 3.66Å; Y214-Y220 AromaticContact CE1-CE2 3.49Å; Y214-Y220 HydrophobicContact CE1-CE2 3.49Å; Y214-Y220 VanDerWaalsContact CE1-CE2 3.49Å; Y214-Y220 HydrophobicContact CE1-CG 4.49Å; Y214-Y220 AromaticContact CZ-CE2 3.97Å; Y214-P222 VanDerWaalsContact CD2-CA 3.48Å; Y214-P222 HydrophobicContact CD2-CB 3.2Å; Y214-P222 HydrophobicContact CD2-CG 3.33Å; Y214-P222 VanDerWaalsContact CE2-CA 3.45Å; Y214-P222 HydrophobicContact CE2-CB 3.48Å; Y214-P222 VanDerWaalsContact CE2-CB 3.48Å; Y214-P222 HydrophobicContact CE2-CG 4.14Å; Y214-P222 HydrophobicContact CG-CB 3.99Å; Y214-P222 HydrophobicContact CG-CG 3.71Å; Y214-E241 PolarHBondContact OH-O 3.33Å
215	I	79.2	Confident	65.6	Low	13 Å²	13	27.2 Å²	27.2	7%	0.067	14%	0.144	C	C	.	.	H	α-helix	trans	-70.9	-28	-176.9	-46.9	172	0	0	0	110	F89 P129 Y170 V211 I212 G219	F89-I215 HydrophobicContact CD1-CG2 3.9Å; F89-I215 HydrophobicContact CE1-CB 3.62Å; F89-I215 HydrophobicContact CE1-CG2 3.47Å; F89-I215 VanDerWaalsContact CE1-CG2 3.47Å; F89-I215 HydrophobicContact CZ-CB 4.06Å; F89-I215 HydrophobicContact CZ-CG2 4.31Å; P129-I215 HydrophobicContact CG-CD1 4.05Å; Y170-I215 HydrophobicContact CE1-CD1 4.24Å; Y170-I215 WeakPolarHBondContact OH-CD1 3.09Å; V211-I215 PolarHBondContact O-N 3.42Å; I212-I215 PolarHBondContact O-N 2.93Å; I215-G219 WeakPolarHBondContact O-CA 3.33Å; I215-G219 PolarHBondContact O-N 3.13Å
216	L	81.6	Confident	68.3	Low	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-69	-32.4	176.5	-65.2	176.3	0	0	0	114.7	L88 F89 I92 Y98 A103 C106 I107 I212 L213 Y214 Y295	L88-L216 HydrophobicContact CD2-CD2 4.26Å; F89-L216 HydrophobicContact CE1-CD2 3.67Å; F89-L216 HydrophobicContact CE1-CG 4.18Å; F89-L216 HydrophobicContact CE2-CD2 4.13Å; F89-L216 HydrophobicContact CZ-CD2 3.47Å; F89-L216 VanDerWaalsContact CZ-CD2 3.47Å; F89-L216 HydrophobicContact CZ-CG 3.83Å; I92-L216 HydrophobicContact CD1-CD2 3.33Å; Y98-L216 VanDerWaalsContact CE1-O 3.28Å; Y98-L216 WeakPolarHBondContact CE1-O 3.23Å; A103-L216 HydrophobicContact CB-CB 4.38Å; C106-L216 HydrophobicContact CB-CD1 4.11Å; I107-L216 HydrophobicContact CB-CD1 4.44Å; I212-L216 HydrophobicContact CG2-CD1 4.34Å; I212-L216 HydrophobicContact CG2-CG 4.47Å; I212-L216 PolarHBondContact O-N 2.66Å; L213-L216 HydrophobicContact CB-CD1 4.44Å; L213-L216 HydrophobicContact CD1-CB 3.98Å; L213-L216 HydrophobicContact CD1-CD1 3.98Å; L213-L216 PolarHBondContact O-N 3.41Å; Y214-L216 VanDerWaalsContact C-N 3.27Å; Y214-L216 PolarHBondContact O-N 2.7Å; L216-Y295 PolarHBondContact O-OH 2.69Å
217	L	84	Confident	71.1	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-97	-27.2	-173.8	-74.2	172.5	0	0	0	114.7	E100 A103 L192 L213 Y214 V250 A254 W280 Y295	E100-L217 HydrophobicContact CG-CD2 3.87Å; A103-L217 HydrophobicContact CB-CD2 3.5Å; A103-L217 VanDerWaalsContact CB-CD2 3.5Å; A103-L217 HydrophobicContact CB-CG 4.13Å; L192-L217 HydrophobicContact CB-CD1 4.15Å; L192-L217 HydrophobicContact CD1-CB 3.62Å; L192-L217 HydrophobicContact CD1-CD1 4.36Å; L213-L217 HydrophobicContact CD1-CD1 3.83Å; L213-L217 HydrophobicContact CD1-CG 3.78Å; L213-L217 HydrophobicContact CG-CD1 4Å; L213-L217 HydrophobicContact CG-CG 4.38Å; L213-L217 PolarHBondContact O-N 2.8Å; Y214-L217 PolarHBondContact O-N 3.46Å; L217-V250 HydrophobicContact CD1-CG1 4.45Å; L217-A254 HydrophobicContact CD1-CB 4.14Å; L217-W280 HydrophobicContact CD1-CH2 4.32Å; L217-W280 HydrophobicContact CD1-CZ2 4.3Å; L217-W280 HydrophobicContact CD2-CH2 4.27Å; L217-W280 HydrophobicContact CD2-CZ2 4.1Å; L217-Y295 PolarHBondContact O-OH 2.99Å
218	V	79.1	Confident	73.7	Confident	13 Å²	13	28.2 Å²	28.2	8%	0.079	13%	0.134	C	C	.	.	H	α-helix	trans	-139.2	-0.4	176.2	-65.2	0	0	0	0	115.6	L192 Y214 Y220 E246 W247 Y295	L192-V218 HydrophobicContact CD1-CG2 3.83Å; Y214-V218 HydrophobicContact CD1-CG2 3.89Å; Y214-V218 HydrophobicContact CE1-CG2 3.55Å; Y214-V218 PolarHBondContact O-N 2.85Å; V218-Y220 HydrophobicContact CB-CD1 4.16Å; V218-Y220 HydrophobicContact CB-CE1 3.67Å; V218-Y220 HydrophobicContact CG2-CD1 3.81Å; V218-Y220 HydrophobicContact CG2-CD2 4.38Å; V218-Y220 HydrophobicContact CG2-CE1 3.43Å; V218-Y220 VanDerWaalsContact CG2-CE1 3.43Å; V218-Y220 HydrophobicContact CG2-CE2 4.05Å; V218-Y220 HydrophobicContact CG2-CG 4.27Å; V218-Y220 WeakPolarHBondContact O-CD1 3.47Å; V218-Y220 PolarHBondContact O-N 2.81Å; V218-E246 HydrophobicContact CG1-CB 4.04Å; V218-W247 HydrophobicContact CB-CZ2 4.28Å; V218-W247 HydrophobicContact CG1-CH2 4.42Å; V218-W247 HydrophobicContact CG1-CZ2 3.41Å; V218-W247 VanDerWaalsContact CG1-CZ2 3.41Å; V218-W247 HydrophobicContact CG2-CZ2 3.9Å; V218-Y295 PolarHBondContact N-OH 2.78Å
219	G	73	Confident	76.2	Confident	3 Å²	3	28.3 Å²	28.3	3%	0.031	14%	0.143	C	C	.	.	S	Bend	trans	79.8	7.5	167.5	0	0	0	0	0	117.6	I215 L298	I215-G219 WeakPolarHBondContact O-CA 3.33Å; I215-G219 PolarHBondContact O-N 3.13Å; G219-L298 VanDerWaalsContact O-CD2 3.23Å; G219-L298 WeakPolarHBondContact O-CD2 3.38Å
220	Y	75.1	Confident	78.6	Confident	50 Å²	50	35 Å²	35	20%	0.196	17%	0.169	C	C	.	.	S	Bend	trans	-126.4	165.3	169.8	55.5	-92.9	0	0	0	110	Y214 V218 P243 W247	Y214-Y220 HydrophobicContact CD1-CD2 4.45Å; Y214-Y220 WeakPolarHBondContact CD1-O 3.45Å; Y214-Y220 AromaticContact CE1-CD2 3.66Å; Y214-Y220 HydrophobicContact CE1-CD2 3.66Å; Y214-Y220 AromaticContact CE1-CE2 3.49Å; Y214-Y220 HydrophobicContact CE1-CE2 3.49Å; Y214-Y220 VanDerWaalsContact CE1-CE2 3.49Å; Y214-Y220 HydrophobicContact CE1-CG 4.49Å; Y214-Y220 AromaticContact CZ-CE2 3.97Å; V218-Y220 HydrophobicContact CB-CD1 4.16Å; V218-Y220 HydrophobicContact CB-CE1 3.67Å; V218-Y220 HydrophobicContact CG2-CD1 3.81Å; V218-Y220 HydrophobicContact CG2-CD2 4.38Å; V218-Y220 HydrophobicContact CG2-CE1 3.43Å; V218-Y220 VanDerWaalsContact CG2-CE1 3.43Å; V218-Y220 HydrophobicContact CG2-CE2 4.05Å; V218-Y220 HydrophobicContact CG2-CG 4.27Å; V218-Y220 WeakPolarHBondContact O-CD1 3.47Å; V218-Y220 PolarHBondContact O-N 2.81Å; Y220-P243 HydrophobicContact CE2-CG 4.47Å; Y220-P243 VanDerWaalsContact OH-CG 3.26Å; Y220-P243 WeakPolarHBondContact OH-CG 3.41Å; Y220-W247 VanDerWaalsContact OH-CD1 3.32Å; Y220-W247 PolarHBondContact OH-NE1 3.13Å; Y220-W247 VanDerWaalsContact OH-NE1 3.08Å
221	P	76.3	Confident	79.9	Confident	25 Å²	25	35.9 Å²	35.9	16%	0.162	17%	0.173	C	C	.	.			trans	-85.5	162.5	179.2	33.4	-36.6	0	0	0	113.5	W224 F306	P221-W224 HydrophobicContact CG-CB 4.11Å; P221-W224 HydrophobicContact CG-CG 4.48Å; P221-F306 HydrophobicContact CG-CZ 4.45Å
222	P	78.9	Confident	81.2	Confident	13 Å²	13	37.1 Å²	37.1	8%	0.084	18%	0.178	C	C	.	.	S	Bend	trans	-71.4	-34.4	175.3	6.2	2.5	0	0	0	113.3	G210 V211 Y214	G210-P222 WeakPolarHBondContact O-CG 3.47Å; V211-P222 HydrophobicContact CB-CG 4.35Å; V211-P222 HydrophobicContact CG1-CG 4.15Å; V211-P222 HydrophobicContact CG2-CG 4.2Å; Y214-P222 VanDerWaalsContact CD2-CA 3.48Å; Y214-P222 HydrophobicContact CD2-CB 3.2Å; Y214-P222 HydrophobicContact CD2-CG 3.33Å; Y214-P222 VanDerWaalsContact CE2-CA 3.45Å; Y214-P222 HydrophobicContact CE2-CB 3.48Å; Y214-P222 VanDerWaalsContact CE2-CB 3.48Å; Y214-P222 HydrophobicContact CE2-CG 4.14Å; Y214-P222 HydrophobicContact CG-CB 3.99Å; Y214-P222 HydrophobicContact CG-CG 3.71Å
223	F	82.3	Confident	81.6	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.018	20%	0.197	C	C	.	.	S	Bend	trans	-124.4	122.6	-172.8	-47.1	-76.1	0	0	0	107.5	W188 V211 L231 Q234 I235 C239 Y240 L262	W188-F223 HydrophobicContact CH2-CE2 4.04Å; W188-F223 AromaticContact CH2-CZ 3.76Å; W188-F223 HydrophobicContact CH2-CZ 3.76Å; W188-F223 HydrophobicContact CZ2-CD2 4.21Å; W188-F223 AromaticContact CZ2-CE2 3.34Å; W188-F223 HydrophobicContact CZ2-CE2 3.34Å; W188-F223 AromaticContact CZ2-CZ 3.57Å; W188-F223 HydrophobicContact CZ2-CZ 3.57Å; V211-F223 HydrophobicContact CG2-CD2 4.38Å; V211-F223 HydrophobicContact CG2-CE2 4.33Å; F223-L231 HydrophobicContact CB-CD1 3.74Å; F223-Q234 HydrophobicContact CD1-CB 4.03Å; F223-I235 HydrophobicContact CB-CD1 4.37Å; F223-I235 HydrophobicContact CB-CG1 3.74Å; F223-I235 HydrophobicContact CD1-CG1 4.06Å; F223-I235 HydrophobicContact CD2-CG1 3.82Å; F223-I235 HydrophobicContact CE2-CG1 4.42Å; F223-I235 HydrophobicContact CG-CG1 3.61Å; F223-C239 WeakPolarHBondContact CD1-O 3.4Å; F223-Y240 AromaticContact CE1-CD1 3.71Å; F223-Y240 HydrophobicContact CE1-CD1 3.71Å; F223-Y240 HydrophobicContact CE1-CG 4.42Å; F223-Y240 AromaticContact CZ-CD1 3.61Å; F223-Y240 HydrophobicContact CZ-CD1 3.61Å; F223-Y240 HydrophobicContact CZ-CE1 4.31Å; F223-L262 HydrophobicContact CE2-CD2 4.13Å; F223-L262 HydrophobicContact CZ-CD2 3.96Å
224	W	78.2	Confident	81.7	Confident	129 Å²	129	41.8 Å²	41.8	49%	0.489	21%	0.208	S	C	.	.			trans	-153.6	135.9	177.7	-168.4	84.5	0	0	0	111	P221 E226 Q234	P221-W224 HydrophobicContact CG-CB 4.11Å; P221-W224 HydrophobicContact CG-CG 4.48Å; W224-E226 HydrophobicContact CH2-CG 3.65Å; W224-E226 HydrophobicContact CZ2-CG 4.2Å; W224-E226 HydrophobicContact CZ3-CG 4.28Å; W224-Q234 PolarHBondContact O-NE2 3.32Å; W224-Q234 PolarHBondContact O-OE1 2.86Å
225	D	79.9	Confident	81.9	Confident	32 Å²	32	41.6 Å²	41.6	17%	0.171	21%	0.207	C	C	.	.			trans	-156.3	153.1	168.5	-156.9	-55.6	0	0	0	107.9	D227 R230 L231	D225-D227 VanDerWaalsContact C-N 3.32Å; D225-D227 PolarHBondContact OD1-N 3.02Å; D225-R230 HydrophobicContact CB-CB 4.12Å; D225-R230 VanDerWaalsContact CG-NE 3.27Å; D225-R230 IonicContact OD1-CZ 2.78Å; D225-R230 IonicContact OD1-NE 3.79Å; D225-R230 PolarHBondContact OD1-NE 2.91Å; D225-R230 VanDerWaalsContact OD1-NE 3.11Å; D225-R230 IonicContact OD1-NH2 3.37Å; D225-R230 PolarHBondContact OD1-NH2 2.89Å; D225-R230 WeakPolarHBondContact OD2-CB 3.49Å; D225-R230 WeakPolarHBondContact OD2-CD 3.34Å; D225-R230 IonicContact OD2-CZ 2.71Å; D225-R230 IonicContact OD2-NE 3.95Å; D225-R230 PolarHBondContact OD2-NE 3.1Å; D225-R230 IonicContact OD2-NH2 3.63Å; D225-L231 HydrophobicContact CB-CB 4.08Å
226	E	80.1	Confident	82.2	Confident	91 Å²	91	45.3 Å²	45.3	43%	0.425	22%	0.22	S	C	.	.	S	Bend	trans	-71.4	-30.4	168.6	-63.3	-169.8	120.7	0	0	111.7	W224 K346 K350	W224-E226 HydrophobicContact CH2-CG 3.65Å; W224-E226 HydrophobicContact CZ2-CG 4.2Å; W224-E226 HydrophobicContact CZ3-CG 4.28Å; E226-K346 VanDerWaalsContact OE1-CE 3.24Å; E226-K346 WeakPolarHBondContact OE1-CE 3.18Å; E226-K346 IonicContact OE1-NZ 2.7Å; E226-K346 PolarHBondContact OE1-NZ 3.34Å; E226-K346 VanDerWaalsContact OE2-CE 3.3Å; E226-K346 WeakPolarHBondContact OE2-CE 3.46Å; E226-K346 IonicContact OE2-NZ 3.83Å; E226-K346 PolarHBondContact OE2-NZ 3.23Å; E226-K350 IonicContact OE1-NZ 2.72Å; E226-K350 PolarHBondContact OE1-NZ 2.85Å
227	D	83.5	Confident	82.5	Confident	76 Å²	76	48.5 Å²	48.5	41%	0.406	25%	0.246	S	C	.	.	S	Bend	trans	-87	117.8	172.3	177	-114.4	0	0	0	111.1	D225 G229 R230 L231	D225-D227 VanDerWaalsContact C-N 3.32Å; D225-D227 PolarHBondContact OD1-N 3.02Å; D227-G229 PolarHBondContact O-N 3.37Å; D227-G229 WeakPolarHBondContact OD1-CA 3.49Å; D227-G229 PolarHBondContact OD1-N 3.13Å; D227-G229 PolarHBondContact OD2-N 3.33Å; D227-R230 HydrophobicContact CB-CB 4.3Å; D227-R230 HydrophobicContact CB-CG 4.25Å; D227-R230 PolarHBondContact O-N 3.06Å; D227-R230 WeakPolarHBondContact OD1-CG 3.36Å; D227-R230 PolarHBondContact OD1-N 3.47Å; D227-L231 PolarHBondContact O-N 3.07Å
228	Q	82.1	Confident	82.6	Confident	104 Å²	104	48.7 Å²	48.7	49%	0.486	25%	0.248	S	C	.	.	H	α-helix	trans	-61.8	-26.9	178.5	-164	-171	-114.2	0	0	112.2	Y232	Q228-Y232 VanDerWaalsContact CD-OH 3.31Å; Q228-Y232 HydrophobicContact CG-CD1 4.48Å; Q228-Y232 HydrophobicContact CG-CD2 4.12Å; Q228-Y232 HydrophobicContact CG-CE1 4.02Å; Q228-Y232 HydrophobicContact CG-CE2 3.61Å; Q228-Y232 VanDerWaalsContact O-CB 3.32Å; Q228-Y232 WeakPolarHBondContact O-CB 3.46Å; Q228-Y232 WeakPolarHBondContact O-CD2 3.48Å; Q228-Y232 PolarHBondContact O-N 3.28Å; Q228-Y232 PolarHBondContact OE1-OH 2.87Å
229	G	86	Confident	82.8	Confident	36 Å²	36	51.6 Å²	51.6	37%	0.371	27%	0.268	S	S	.	.	H	α-helix	trans	-65.5	-46.6	175.1	0	0	0	0	0	112.9	D227 Y232 A233	D227-G229 PolarHBondContact O-N 3.37Å; D227-G229 WeakPolarHBondContact OD1-CA 3.49Å; D227-G229 PolarHBondContact OD1-N 3.13Å; D227-G229 PolarHBondContact OD2-N 3.33Å; G229-Y232 PolarHBondContact O-N 2.9Å; G229-A233 PolarHBondContact O-N 2.9Å
230	R	88.3	Confident	83.2	Confident	141 Å²	141	52.4 Å²	52.4	53%	0.532	27%	0.271	S	S	.	.	H	α-helix	trans	-68.7	-42.7	174.4	-66.7	-165.9	-55.8	-138.7	-0.9	112.2	D225 D227 Y232 A233 Q234	D225-R230 HydrophobicContact CB-CB 4.12Å; D225-R230 VanDerWaalsContact CG-NE 3.27Å; D225-R230 IonicContact OD1-CZ 2.78Å; D225-R230 IonicContact OD1-NE 3.79Å; D225-R230 PolarHBondContact OD1-NE 2.91Å; D225-R230 VanDerWaalsContact OD1-NE 3.11Å; D225-R230 IonicContact OD1-NH2 3.37Å; D225-R230 PolarHBondContact OD1-NH2 2.89Å; D225-R230 WeakPolarHBondContact OD2-CB 3.49Å; D225-R230 WeakPolarHBondContact OD2-CD 3.34Å; D225-R230 IonicContact OD2-CZ 2.71Å; D225-R230 IonicContact OD2-NE 3.95Å; D225-R230 PolarHBondContact OD2-NE 3.1Å; D225-R230 IonicContact OD2-NH2 3.63Å; D227-R230 HydrophobicContact CB-CB 4.3Å; D227-R230 HydrophobicContact CB-CG 4.25Å; D227-R230 PolarHBondContact O-N 3.06Å; D227-R230 WeakPolarHBondContact OD1-CG 3.36Å; D227-R230 PolarHBondContact OD1-N 3.47Å; R230-Y232 VanDerWaalsContact C-N 3.32Å; R230-Y232 PolarHBondContact O-N 3.18Å; R230-A233 CarbonylContact O-C 3.5Å; R230-A233 WeakPolarHBondContact O-CA 3.35Å; R230-A233 WeakPolarHBondContact O-CB 3.38Å; R230-A233 PolarHBondContact O-N 3Å; R230-Q234 WeakPolarHBondContact O-CG 3.49Å; R230-Q234 PolarHBondContact O-N 3.01Å
231	L	83	Confident	83.8	Confident	18 Å²	18	57.1 Å²	57.1	9%	0.094	30%	0.295	C	S	.	.	H	α-helix	trans	-53.4	-49.6	170.7	173.3	61.1	0	0	0	111.1	P168 F223 D225 D227 A233 Q234 I235	P168-L231 HydrophobicContact CB-CD2 4.39Å; F223-L231 HydrophobicContact CB-CD1 3.74Å; D225-L231 HydrophobicContact CB-CB 4.08Å; D227-L231 PolarHBondContact O-N 3.07Å; L231-A233 PolarHBondContact O-N 3.03Å; L231-Q234 PolarHBondContact O-N 3.04Å; L231-I235 HydrophobicContact CD1-CD1 3.92Å; L231-I235 HydrophobicContact CD1-CG1 4.35Å; L231-I235 HydrophobicContact CG-CD1 4.01Å; L231-I235 WeakPolarHBondContact O-CG1 3.27Å; L231-I235 PolarHBondContact O-N 2.72Å
232	Y	89	Confident	84.3	Confident	28 Å²	28	56.6 Å²	56.6	11%	0.11	29%	0.289	C	S	.	.	H	α-helix	trans	-65.7	-24.1	175.8	-69.2	-17	0	0	0	113.2	F164 P168 L171 L176 Q228 G229 R230 I235 R236	F164-Y232 HydrophobicContact CZ-CE2 4.37Å; P168-Y232 HydrophobicContact CB-CE1 3.98Å; L171-Y232 HydrophobicContact CD1-CE1 4.04Å; L176-Y232 HydrophobicContact CD1-CD1 3.63Å; L176-Y232 HydrophobicContact CD1-CE1 4.44Å; L176-Y232 HydrophobicContact CD1-CG 3.9Å; L176-Y232 HydrophobicContact CD2-CD1 3.66Å; L176-Y232 HydrophobicContact CD2-CD2 4.32Å; L176-Y232 HydrophobicContact CD2-CE1 3.74Å; L176-Y232 HydrophobicContact CD2-CE2 4.39Å; L176-Y232 HydrophobicContact CD2-CG 3.97Å; L176-Y232 HydrophobicContact CG-CD1 4.33Å; Q228-Y232 VanDerWaalsContact CD-OH 3.31Å; Q228-Y232 HydrophobicContact CG-CD1 4.48Å; Q228-Y232 HydrophobicContact CG-CD2 4.12Å; Q228-Y232 HydrophobicContact CG-CE1 4.02Å; Q228-Y232 HydrophobicContact CG-CE2 3.61Å; Q228-Y232 VanDerWaalsContact O-CB 3.32Å; Q228-Y232 WeakPolarHBondContact O-CB 3.46Å; Q228-Y232 WeakPolarHBondContact O-CD2 3.48Å; Q228-Y232 PolarHBondContact O-N 3.28Å; Q228-Y232 PolarHBondContact OE1-OH 2.87Å; G229-Y232 PolarHBondContact O-N 2.9Å; R230-Y232 VanDerWaalsContact C-N 3.32Å; R230-Y232 PolarHBondContact O-N 3.18Å; Y232-I235 HydrophobicContact CD1-CD1 4.46Å; Y232-R236 VanDerWaalsContact O-CB 3.28Å; Y232-R236 WeakPolarHBondContact O-CB 3.26Å; Y232-R236 WeakPolarHBondContact O-CG 3.5Å; Y232-R236 PolarHBondContact O-N 2.83Å; Y232-R236 PolarHBondContact O-NE 2.64Å; Y232-R236 PolarHBondContact O-NH2 3.46Å
233	A	88.7	Confident	84.5	Confident	48 Å²	48	58.8 Å²	58.8	40%	0.397	30%	0.304	S	S	.	.	H	α-helix	trans	-73.6	-46.3	172.4	0	0	0	0	0	111.9	G229 R230 L231 I235 R236 A237	G229-A233 PolarHBondContact O-N 2.9Å; R230-A233 CarbonylContact O-C 3.5Å; R230-A233 WeakPolarHBondContact O-CA 3.35Å; R230-A233 WeakPolarHBondContact O-CB 3.38Å; R230-A233 PolarHBondContact O-N 3Å; L231-A233 PolarHBondContact O-N 3.03Å; A233-I235 PolarHBondContact O-N 3.24Å; A233-R236 PolarHBondContact O-N 3.2Å; A233-A237 WeakPolarHBondContact O-CB 3.3Å; A233-A237 PolarHBondContact O-N 3.49Å
234	Q	86.1	Confident	84.5	Confident	49 Å²	49	61.9 Å²	61.9	23%	0.229	33%	0.326	C	S	.	.	H	α-helix	trans	-53.8	-53.2	173	-63.8	172.1	10.9	0	0	110.5	F223 W224 R230 L231 R236 A237 G238 C239	F223-Q234 HydrophobicContact CD1-CB 4.03Å; W224-Q234 PolarHBondContact O-NE2 3.32Å; W224-Q234 PolarHBondContact O-OE1 2.86Å; R230-Q234 WeakPolarHBondContact O-CG 3.49Å; R230-Q234 PolarHBondContact O-N 3.01Å; L231-Q234 PolarHBondContact O-N 3.04Å; Q234-R236 PolarHBondContact O-N 3.48Å; Q234-A237 PolarHBondContact O-N 3.08Å; Q234-G238 PolarHBondContact O-N 3.08Å; Q234-C239 PolarHBondContact O-N 3.42Å
235	I	84.8	Confident	85	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-57.3	-52.2	178	-69.5	171.5	0	0	0	111.2	P168 L171 P173 L176 W188 F223 L231 Y232 A233 A237 G238	P168-I235 WeakPolarHBondContact O-CD1 3.18Å; L171-I235 VanDerWaalsContact O-CG2 3.23Å; L171-I235 WeakPolarHBondContact O-CG2 3.45Å; P173-I235 HydrophobicContact CG-CG2 4.48Å; L176-I235 HydrophobicContact CD1-CB 3.77Å; L176-I235 HydrophobicContact CD1-CD1 4.41Å; L176-I235 HydrophobicContact CD1-CG2 3.36Å; L176-I235 HydrophobicContact CG-CG2 4.35Å; W188-I235 HydrophobicContact CH2-CG2 3.93Å; W188-I235 WeakPolarHBondContact CH2-O 3.43Å; W188-I235 HydrophobicContact CZ2-CB 4.37Å; W188-I235 HydrophobicContact CZ2-CG1 4.49Å; W188-I235 HydrophobicContact CZ2-CG2 3.57Å; F223-I235 HydrophobicContact CB-CD1 4.37Å; F223-I235 HydrophobicContact CB-CG1 3.74Å; F223-I235 HydrophobicContact CD1-CG1 4.06Å; F223-I235 HydrophobicContact CD2-CG1 3.82Å; F223-I235 HydrophobicContact CE2-CG1 4.42Å; F223-I235 HydrophobicContact CG-CG1 3.61Å; L231-I235 HydrophobicContact CD1-CD1 3.92Å; L231-I235 HydrophobicContact CD1-CG1 4.35Å; L231-I235 HydrophobicContact CG-CD1 4.01Å; L231-I235 WeakPolarHBondContact O-CG1 3.27Å; L231-I235 PolarHBondContact O-N 2.72Å; Y232-I235 HydrophobicContact CD1-CD1 4.46Å; A233-I235 PolarHBondContact O-N 3.24Å; I235-A237 PolarHBondContact O-N 2.73Å; I235-G238 PolarHBondContact O-N 2.7Å
236	R	87.2	Confident	85	Confident	92 Å²	92	62.5 Å²	62.5	35%	0.347	34%	0.341	S	S	.	.	H	α-helix	trans	-60.8	-29.4	-178.6	-80	-179.4	-61.4	-112.4	-8	113.7	L176 K177 Y232 A233 Q234	L176-R236 HydrophobicContact CB-CG 3.75Å; L176-R236 HydrophobicContact CD1-CG 4.05Å; K177-R236 HydrophobicContact CG-CG 4.26Å; Y232-R236 VanDerWaalsContact O-CB 3.28Å; Y232-R236 WeakPolarHBondContact O-CB 3.26Å; Y232-R236 WeakPolarHBondContact O-CG 3.5Å; Y232-R236 PolarHBondContact O-N 2.83Å; Y232-R236 PolarHBondContact O-NE 2.64Å; Y232-R236 PolarHBondContact O-NH2 3.46Å; A233-R236 PolarHBondContact O-N 3.2Å; Q234-R236 PolarHBondContact O-N 3.48Å
237	A	88	Confident	85.3	Confident	66 Å²	66	58.2 Å²	58.2	55%	0.545	32%	0.321	S	S	.	.	H	α-helix	trans	-84.7	-17.8	176.9	0	0	0	0	0	113.6	A233 Q234 I235 C239	A233-A237 WeakPolarHBondContact O-CB 3.3Å; A233-A237 PolarHBondContact O-N 3.49Å; Q234-A237 PolarHBondContact O-N 3.08Å; I235-A237 PolarHBondContact O-N 2.73Å; A237-C239 VanDerWaalsContact C-N 3.28Å; A237-C239 HydrophobicContact CB-CB 4.11Å
238	G	84.3	Confident	85.5	Confident	4 Å²	4	59 Å²	59	4%	0.041	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	28.9	-165	0	0	0	0	0	112.5	I208 Q234 I235 Y240	I208-G238 WeakPolarHBondContact CD1-O 3.28Å; I208-G238 WeakPolarHBondContact CG1-O 3.5Å; I208-G238 WeakPolarHBondContact O-CA 3.3Å; Q234-G238 PolarHBondContact O-N 3.08Å; I235-G238 PolarHBondContact O-N 2.7Å; G238-Y240 PolarHBondContact O-N 2.98Å
239	C	83.5	Confident	85.7	Confident	74 Å²	74	59.1 Å²	59.1	50%	0.5	33%	0.333	S	S	.	.			trans	-86	103.7	-176.3	-165.7	0	0	0	0	110.5	F223 Q234 A237	F223-C239 WeakPolarHBondContact CD1-O 3.4Å; Q234-C239 PolarHBondContact O-N 3.42Å; A237-C239 VanDerWaalsContact C-N 3.28Å; A237-C239 HydrophobicContact CB-CB 4.11Å
240	Y	82.4	Confident	85.8	Confident	20 Å²	20	57.6 Å²	57.6	8%	0.078	32%	0.317	C	S	.	.			trans	-138.1	168.4	170.5	51.3	-114.8	0	0	0	108.5	A193 I208 F223 G238 Y242 L262	A193-Y240 HydrophobicContact CB-CE2 4.36Å; I208-Y240 HydrophobicContact CB-CE1 3.69Å; I208-Y240 WeakPolarHBondContact CB-OH 3.4Å; I208-Y240 HydrophobicContact CD1-CE1 3.81Å; I208-Y240 HydrophobicContact CD1-CE2 3.6Å; I208-Y240 VanDerWaalsContact CD1-OH 3.28Å; I208-Y240 WeakPolarHBondContact CD1-OH 3.46Å; I208-Y240 HydrophobicContact CG1-CD1 4.29Å; I208-Y240 HydrophobicContact CG1-CE1 3.32Å; I208-Y240 HydrophobicContact CG1-CE2 4.1Å; I208-Y240 WeakPolarHBondContact CG1-OH 3.23Å; F223-Y240 AromaticContact CE1-CD1 3.71Å; F223-Y240 HydrophobicContact CE1-CD1 3.71Å; F223-Y240 HydrophobicContact CE1-CG 4.42Å; F223-Y240 AromaticContact CZ-CD1 3.61Å; F223-Y240 HydrophobicContact CZ-CD1 3.61Å; F223-Y240 HydrophobicContact CZ-CE1 4.31Å; G238-Y240 PolarHBondContact O-N 2.98Å; Y240-Y242 AromaticContact CD2-CE1 3.73Å; Y240-Y242 HydrophobicContact CD2-CE1 3.73Å; Y240-Y242 AromaticContact CD2-CE2 3.9Å; Y240-Y242 HydrophobicContact CD2-CE2 3.9Å; Y240-Y242 AromaticContact CD2-CZ 3.33Å; Y240-Y242 AromaticContact CE2-CE1 3.88Å; Y240-Y242 HydrophobicContact CE2-CE1 3.88Å; Y240-Y242 AromaticContact CE2-CE2 3.89Å; Y240-Y242 HydrophobicContact CE2-CE2 3.89Å; Y240-Y242 AromaticContact CE2-CZ 3.18Å; Y240-Y242 WeakPolarHBondContact CE2-OH 3.27Å; Y240-L262 HydrophobicContact CD1-CD1 3.99Å; Y240-L262 HydrophobicContact CD1-CD2 3.62Å; Y240-L262 HydrophobicContact CD1-CG 4.42Å; Y240-L262 HydrophobicContact CE1-CB 3.89Å; Y240-L262 HydrophobicContact CE1-CD1 3.46Å; Y240-L262 VanDerWaalsContact CE1-CD1 3.46Å; Y240-L262 HydrophobicContact CE1-CD2 3.15Å; Y240-L262 HydrophobicContact CE1-CG 3.66Å; Y240-L262 HydrophobicContact CE2-CD1 4.49Å; Y240-L262 WeakPolarHBondContact OH-CB 3.2Å
241	E	86.6	Confident	85.9	Confident	150 Å²	150	52.9 Å²	52.9	70%	0.701	30%	0.303	S	S	*	.			trans	-140.6	-173.1	174.3	-67.2	-166	-179.7	0	0	111.7	Y214	Y214-E241 PolarHBondContact OH-O 3.33Å
242	Y	88	Confident	86.2	Confident	13 Å²	13	56.2 Å²	56.2	5%	0.051	33%	0.326	C	S	.	.			trans	-143.8	68.5	-165.5	-43.3	-76.4	0	0	0	108.3	L192 A193 R194 A195 Y240 S244 W247	L192-Y242 HydrophobicContact CD2-CD1 4.22Å; L192-Y242 HydrophobicContact CD2-CE1 4.38Å; A193-Y242 HydrophobicContact CB-CE1 3.75Å; A193-Y242 WeakPolarHBondContact CB-OH 3.3Å; A193-Y242 WeakPolarHBondContact O-CD1 3.34Å; A193-Y242 WeakPolarHBondContact O-CE1 3.4Å; R194-Y242 VanDerWaalsContact C-OH 3.31Å; R194-Y242 VanDerWaalsContact CA-CE1 3.46Å; R194-Y242 WeakPolarHBondContact CA-OH 3.2Å; R194-Y242 HydrophobicContact CB-CD1 4.05Å; R194-Y242 HydrophobicContact CB-CD2 4.09Å; R194-Y242 HydrophobicContact CB-CE1 4.35Å; R194-Y242 HydrophobicContact CB-CE2 4.37Å; R194-Y242 HydrophobicContact CB-CG 3.81Å; R194-Y242 HydrophobicContact CG-CD1 4.4Å; R194-Y242 HydrophobicContact CG-CD2 3.62Å; R194-Y242 HydrophobicContact CG-CE2 4.18Å; R194-Y242 HydrophobicContact CG-CG 3.65Å; R194-Y242 PolarHBondContact N-OH 2.88Å; R194-Y242 PolarHBondContact NH1-O 3.09Å; A195-Y242 HydrophobicContact CB-CE2 4.24Å; A195-Y242 PolarHBondContact N-OH 3.09Å; Y240-Y242 AromaticContact CD2-CE1 3.73Å; Y240-Y242 HydrophobicContact CD2-CE1 3.73Å; Y240-Y242 AromaticContact CD2-CE2 3.9Å; Y240-Y242 HydrophobicContact CD2-CE2 3.9Å; Y240-Y242 AromaticContact CD2-CZ 3.33Å; Y240-Y242 AromaticContact CE2-CE1 3.88Å; Y240-Y242 HydrophobicContact CE2-CE1 3.88Å; Y240-Y242 AromaticContact CE2-CE2 3.89Å; Y240-Y242 HydrophobicContact CE2-CE2 3.89Å; Y240-Y242 AromaticContact CE2-CZ 3.18Å; Y240-Y242 WeakPolarHBondContact CE2-OH 3.27Å; Y242-S244 PolarHBondContact O-N 3.37Å; Y242-W247 VanDerWaalsContact CA-CD1 3.5Å; Y242-W247 VanDerWaalsContact CA-CG 3.42Å; Y242-W247 VanDerWaalsContact CB-CG 3.48Å; Y242-W247 HydrophobicContact CD1-CD2 4.22Å; Y242-W247 HydrophobicContact CD1-CE3 4.24Å; Y242-W247 HydrophobicContact CG-CD2 4.47Å; Y242-W247 VanDerWaalsContact O-CB 3.3Å; Y242-W247 WeakPolarHBondContact O-CB 3.32Å
243	P	83.2	Confident	86.3	Confident	59 Å²	59	59.2 Å²	59.2	38%	0.383	34%	0.341	S	S	.	.			trans	-62.8	130.5	-169.1	25.7	-34.6	0	0	0	110.9	Y220 E246 W247	Y220-P243 HydrophobicContact CE2-CG 4.47Å; Y220-P243 VanDerWaalsContact OH-CG 3.26Å; Y220-P243 WeakPolarHBondContact OH-CG 3.41Å; P243-E246 PolarHBondContact O-N 2.84Å; P243-W247 WeakPolarHBondContact O-CB 3.33Å; P243-W247 VanDerWaalsContact O-CD1 3.25Å; P243-W247 PolarHBondContact O-N 3.39Å
244	S	82.1	Confident	86.4	Confident	69 Å²	69	56.9 Å²	56.9	48%	0.483	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	138.6	163.4	-59.6	0	0	0	0	107.8	Y242 D248	Y242-S244 PolarHBondContact O-N 3.37Å; S244-D248 WeakPolarHBondContact CB-OD1 3.33Å; S244-D248 WeakPolarHBondContact CB-OD2 3.44Å; S244-D248 VanDerWaalsContact OG-CG 3.3Å; S244-D248 PolarHBondContact OG-OD1 3.21Å; S244-D248 PolarHBondContact OG-OD2 3.09Å
245	P	88.3	Confident	86.5	Confident	89 Å²	89	55.9 Å²	55.9	58%	0.578	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94.7	-16.7	17	36.2	-36.7	0	0	0	116.1	W247 D248	P245-W247 PolarHBondContact O-N 2.88Å; P245-W247 VanDerWaalsContact O-N 3.11Å; P245-D248 PolarHBondContact O-N 3.33Å; P245-D248 VanDerWaalsContact O-N 3.08Å
246	E	80.6	Confident	86.8	Confident	86 Å²	86	59.5 Å²	59.5	40%	0.402	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-30	-171.4	-59.7	71.4	-149.6	0	0	111.9	V218 P243	V218-E246 HydrophobicContact CG1-CB 4.04Å; P243-E246 PolarHBondContact O-N 2.84Å
247	W	86.2	Confident	86.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-8.4	-179.3	-83.3	83.2	0	0	0	116	L192 A193 R194 V218 Y220 Y242 P243 P245 V250 K255	L192-W247 HydrophobicContact CD1-CH2 3.34Å; L192-W247 HydrophobicContact CD1-CZ2 3.07Å; L192-W247 HydrophobicContact CD2-CD2 4.32Å; L192-W247 HydrophobicContact CD2-CE3 4.24Å; L192-W247 HydrophobicContact CD2-CH2 3.22Å; L192-W247 HydrophobicContact CD2-CZ2 3.25Å; L192-W247 HydrophobicContact CD2-CZ3 3.7Å; L192-W247 HydrophobicContact CG-CH2 3.76Å; L192-W247 HydrophobicContact CG-CZ2 3.74Å; A193-W247 WeakPolarHBondContact O-CZ3 3.18Å; R194-W247 HydrophobicContact CB-CE3 4.33Å; V218-W247 HydrophobicContact CB-CZ2 4.28Å; V218-W247 HydrophobicContact CG1-CH2 4.42Å; V218-W247 HydrophobicContact CG1-CZ2 3.41Å; V218-W247 VanDerWaalsContact CG1-CZ2 3.41Å; V218-W247 HydrophobicContact CG2-CZ2 3.9Å; Y220-W247 VanDerWaalsContact OH-CD1 3.32Å; Y220-W247 PolarHBondContact OH-NE1 3.13Å; Y220-W247 VanDerWaalsContact OH-NE1 3.08Å; Y242-W247 VanDerWaalsContact CA-CD1 3.5Å; Y242-W247 VanDerWaalsContact CA-CG 3.42Å; Y242-W247 VanDerWaalsContact CB-CG 3.48Å; Y242-W247 HydrophobicContact CD1-CD2 4.22Å; Y242-W247 HydrophobicContact CD1-CE3 4.24Å; Y242-W247 HydrophobicContact CG-CD2 4.47Å; Y242-W247 VanDerWaalsContact O-CB 3.3Å; Y242-W247 WeakPolarHBondContact O-CB 3.32Å; P243-W247 WeakPolarHBondContact O-CB 3.33Å; P243-W247 VanDerWaalsContact O-CD1 3.25Å; P243-W247 PolarHBondContact O-N 3.39Å; P245-W247 PolarHBondContact O-N 2.88Å; P245-W247 VanDerWaalsContact O-N 3.11Å; W247-V250 HydrophobicContact CE3-CB 4.3Å; W247-V250 HydrophobicContact CH2-CB 3.84Å; W247-V250 HydrophobicContact CH2-CG1 3.66Å; W247-V250 HydrophobicContact CH2-CG2 3.69Å; W247-V250 HydrophobicContact CZ2-CG2 4.21Å; W247-V250 HydrophobicContact CZ3-CB 3.64Å; W247-V250 HydrophobicContact CZ3-CG1 3.58Å; W247-V250 HydrophobicContact CZ3-CG2 3.96Å; W247-K255 HydrophobicContact CE3-CD 4.47Å; W247-K255 VanDerWaalsContact CE3-CE 3.48Å; W247-K255 HydrophobicContact CE3-CG 4.2Å; W247-K255 HydrophobicContact CZ3-CD 4.39Å; W247-K255 HydrophobicContact CZ3-CG 3.79Å; W247-K255 VanDerWaalsContact O-CE 3.26Å; W247-K255 WeakPolarHBondContact O-CE 3.29Å; W247-K255 PolarHBondContact O-NZ 2.9Å
248	D	86.5	Confident	86.9	Confident	94 Å²	94	52 Å²	52	50%	0.503	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-30.5	-169.8	-63	-20.7	0	0	0	112.2	R194 S244 P245	R194-D248 IonicContact NH1-OD1 3.94Å; S244-D248 WeakPolarHBondContact CB-OD1 3.33Å; S244-D248 WeakPolarHBondContact CB-OD2 3.44Å; S244-D248 VanDerWaalsContact OG-CG 3.3Å; S244-D248 PolarHBondContact OG-OD1 3.21Å; S244-D248 PolarHBondContact OG-OD2 3.09Å; P245-D248 PolarHBondContact O-N 3.33Å; P245-D248 VanDerWaalsContact O-N 3.08Å
249	T	86.6	Confident	86.9	Confident	106 Å²	106	54.1 Å²	54.1	65%	0.65	30%	0.304	S	S	*	.	S	Bend	trans	-83.5	-21.5	178.8	51.9	0	0	0	0	114.4
250	V	87.7	Confident	87.1	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.024	29%	0.292	C	S	.	.	S	Bend	trans	-71.1	138.8	-174	-179.7	0	0	0	0	111.8	E100 L217 W247 A254 K255	E100-V250 VanDerWaalsContact OE1-CA 3.25Å; E100-V250 WeakPolarHBondContact OE1-CA 3.38Å; L217-V250 HydrophobicContact CD1-CG1 4.45Å; W247-V250 HydrophobicContact CE3-CB 4.3Å; W247-V250 HydrophobicContact CH2-CB 3.84Å; W247-V250 HydrophobicContact CH2-CG1 3.66Å; W247-V250 HydrophobicContact CH2-CG2 3.69Å; W247-V250 HydrophobicContact CZ2-CG2 4.21Å; W247-V250 HydrophobicContact CZ3-CB 3.64Å; W247-V250 HydrophobicContact CZ3-CG1 3.58Å; W247-V250 HydrophobicContact CZ3-CG2 3.96Å; V250-A254 HydrophobicContact CG1-CB 3.84Å; V250-K255 HydrophobicContact CG1-CG 4.49Å; V250-K255 WeakPolarHBondContact O-CE 3.5Å; V250-K255 PolarHBondContact O-NZ 2.85Å
251	T	91	Very high	87.2	Confident	41 Å²	41	51.3 Å²	51.3	25%	0.252	29%	0.289	S	S	.	.			trans	-61.4	143	-175.5	60.6	0	0	0	0	114.2	E100 E253 A254 K255 W280	E100-T251 PolarHBondContact OE1-N 3.02Å; E100-T251 WeakPolarHBondContact OE2-CB 3.32Å; E100-T251 WeakPolarHBondContact OE2-CG2 3.47Å; E100-T251 PolarHBondContact OE2-OG1 3.18Å; T251-E253 PolarHBondContact O-N 3.43Å; T251-A254 PolarHBondContact O-N 3.06Å; T251-A254 WeakPolarHBondContact OG1-CB 3.39Å; T251-A254 PolarHBondContact OG1-N 3.01Å; T251-A254 VanDerWaalsContact OG1-N 3.14Å; T251-K255 VanDerWaalsContact O-CD 3.29Å; T251-K255 WeakPolarHBondContact O-CD 3.2Å; T251-K255 VanDerWaalsContact O-CG 3.25Å; T251-K255 WeakPolarHBondContact O-CG 3.48Å; T251-K255 PolarHBondContact O-N 3.13Å; T251-W280 VanDerWaalsContact OG1-CD1 3.27Å; T251-W280 PolarHBondContact OG1-NE1 3.39Å; T251-W280 VanDerWaalsContact OG1-NE1 3.12Å
252	P	90.5	Very high	87.1	Confident	88 Å²	88	44.2 Å²	44.2	57%	0.571	26%	0.255	S	S	*	.	H	α-helix	trans	-53.9	-29.3	168.5	-26.2	35.5	0	0	0	113.6	K255 N256	P252-K255 WeakPolarHBondContact O-CB 3.46Å; P252-K255 PolarHBondContact O-N 3.26Å; P252-N256 VanDerWaalsContact O-CB 3.22Å; P252-N256 WeakPolarHBondContact O-CB 3.36Å; P252-N256 PolarHBondContact O-N 2.68Å
253	E	90.8	Very high	86.8	Confident	91 Å²	91	44 Å²	44	43%	0.425	26%	0.255	S	S	.	.	H	α-helix	trans	-73.5	-40.3	-179.1	-67.8	67.2	-150	0	0	111.8	T251 N256 L257 H278 W280	T251-E253 PolarHBondContact O-N 3.43Å; E253-N256 PolarHBondContact O-N 3.3Å; E253-L257 PolarHBondContact O-N 3.38Å; E253-H278 VanDerWaalsContact CA-CE1 3.47Å; E253-H278 WeakPolarHBondContact CA-CE1 3.02Å; E253-H278 PolarHBondContact O-CE1 3.26Å; E253-W280 HydrophobicContact CB-CB 3.99Å; E253-W280 HydrophobicContact CB-CG 4.31Å
254	A	89.7	Confident	86.9	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.2	-60	167	0	0	0	0	0	108.6	L217 V250 T251 N256 L257 I258 W280	L217-A254 HydrophobicContact CD1-CB 4.14Å; V250-A254 HydrophobicContact CG1-CB 3.84Å; T251-A254 PolarHBondContact O-N 3.06Å; T251-A254 WeakPolarHBondContact OG1-CB 3.39Å; T251-A254 PolarHBondContact OG1-N 3.01Å; T251-A254 VanDerWaalsContact OG1-N 3.14Å; A254-N256 PolarHBondContact O-N 3.33Å; A254-L257 WeakPolarHBondContact O-CB 3.47Å; A254-L257 PolarHBondContact O-N 3.02Å; A254-I258 WeakPolarHBondContact O-CD1 3.22Å; A254-I258 PolarHBondContact O-N 3.02Å; A254-I258 VanDerWaalsContact O-N 3.15Å; A254-W280 HydrophobicContact CB-CD2 4.11Å; A254-W280 HydrophobicContact CB-CG 4.26Å; A254-W280 HydrophobicContact CB-CZ2 4.05Å
255	K	89.6	Confident	87	Confident	27 Å²	27	41.6 Å²	41.6	12%	0.117	23%	0.234	C	C	.	.	H	α-helix	trans	-47.6	-37.4	-179.8	-68	162.4	164.3	163.7	0	112.3	A193 R194 W247 V250 T251 P252 N259	A193-K255 WeakPolarHBondContact CA-O 3.47Å; R194-K255 HydrophobicContact CB-CB 3.73Å; R194-K255 HydrophobicContact CB-CD 3.53Å; R194-K255 HydrophobicContact CB-CG 3.41Å; R194-K255 VanDerWaalsContact CB-CG 3.41Å; R194-K255 HydrophobicContact CG-CD 4.48Å; R194-K255 VanDerWaalsContact N-CB 3.34Å; R194-K255 PolarHBondContact N-O 2.8Å; W247-K255 HydrophobicContact CE3-CD 4.47Å; W247-K255 VanDerWaalsContact CE3-CE 3.48Å; W247-K255 HydrophobicContact CE3-CG 4.2Å; W247-K255 HydrophobicContact CZ3-CD 4.39Å; W247-K255 HydrophobicContact CZ3-CG 3.79Å; W247-K255 VanDerWaalsContact O-CE 3.26Å; W247-K255 WeakPolarHBondContact O-CE 3.29Å; W247-K255 PolarHBondContact O-NZ 2.9Å; V250-K255 HydrophobicContact CG1-CG 4.49Å; V250-K255 WeakPolarHBondContact O-CE 3.5Å; V250-K255 PolarHBondContact O-NZ 2.85Å; T251-K255 VanDerWaalsContact O-CD 3.29Å; T251-K255 WeakPolarHBondContact O-CD 3.2Å; T251-K255 VanDerWaalsContact O-CG 3.25Å; T251-K255 WeakPolarHBondContact O-CG 3.48Å; T251-K255 PolarHBondContact O-N 3.13Å; P252-K255 WeakPolarHBondContact O-CB 3.46Å; P252-K255 PolarHBondContact O-N 3.26Å; K255-N259 PolarHBondContact O-N 3.48Å; K255-N259 PolarHBondContact O-ND2 3.16Å
256	N	90.4	Very high	86.9	Confident	77 Å²	77	38.5 Å²	38.5	41%	0.412	22%	0.215	S	C	.	.	H	α-helix	trans	-79.7	-44.6	177.4	-178	-87.7	0	0	0	115.3	P252 E253 A254 I258 N259 S260 H278	P252-N256 VanDerWaalsContact O-CB 3.22Å; P252-N256 WeakPolarHBondContact O-CB 3.36Å; P252-N256 PolarHBondContact O-N 2.68Å; E253-N256 PolarHBondContact O-N 3.3Å; A254-N256 PolarHBondContact O-N 3.33Å; N256-I258 PolarHBondContact O-N 3.24Å; N256-N259 PolarHBondContact O-N 2.96Å; N256-N259 VanDerWaalsContact O-N 3.12Å; N256-S260 PolarHBondContact O-N 3.36Å; N256-S260 PolarHBondContact O-OG 2.89Å; N256-S260 VanDerWaalsContact O-OG 3.05Å; N256-H278 PolarHBondContact OD1-NE2 3.22Å
257	L	89.2	Confident	87.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-46.1	-41.9	172.3	168.2	55.1	0	0	0	108.9	L213 E253 A254 S260 M261 I270 A275 H278 W280 I281	L213-L257 HydrophobicContact CD2-CD2 4.25Å; E253-L257 PolarHBondContact O-N 3.38Å; A254-L257 WeakPolarHBondContact O-CB 3.47Å; A254-L257 PolarHBondContact O-N 3.02Å; L257-S260 CarbonylContact O-C 3.59Å; L257-S260 WeakPolarHBondContact O-CA 2.88Å; L257-S260 VanDerWaalsContact O-CB 3.26Å; L257-S260 WeakPolarHBondContact O-CB 3.5Å; L257-S260 PolarHBondContact O-N 3.03Å; L257-M261 HydrophobicContact CD1-CE 3.95Å; L257-M261 HydrophobicContact CD1-CG 4.33Å; L257-M261 HydrophobicContact CD2-CE 4.06Å; L257-M261 HydrophobicContact CG-CE 4.04Å; L257-M261 PolarHBondContact O-N 3.39Å; L257-I270 HydrophobicContact CD1-CD1 4.45Å; L257-A275 HydrophobicContact CD1-CB 4.07Å; L257-H278 HydrophobicContact CD1-CB 3.61Å; L257-H278 PolarHBondContact N-CE1 2.96Å; L257-H278 PolarHBondContact N-NE2 2.79Å; L257-H278 VanDerWaalsContact N-NE2 3.18Å; L257-W280 HydrophobicContact CB-CB 4.5Å; L257-W280 HydrophobicContact CD2-CD2 4.43Å; L257-W280 HydrophobicContact CD2-CE3 3.57Å; L257-W280 HydrophobicContact CD2-CZ3 4.22Å; L257-I281 HydrophobicContact CD1-CD1 4.42Å; L257-I281 HydrophobicContact CD2-CD1 3.65Å; L257-I281 HydrophobicContact CD2-CG1 4.02Å
258	I	87	Confident	87.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-89.9	-29.2	-176.5	-56.3	114.8	0	0	0	113.5	G191 L192 A193 L213 A254 N256 S260 M261 L262	G191-I258 VanDerWaalsContact CA-CG2 3.46Å; L192-I258 HydrophobicContact CB-CD1 4.3Å; L192-I258 VanDerWaalsContact N-CD1 3.34Å; L192-I258 WeakPolarHBondContact O-CB 3.02Å; L192-I258 WeakPolarHBondContact O-CD1 3.35Å; L192-I258 WeakPolarHBondContact O-CG1 3.28Å; A193-I258 HydrophobicContact CB-CB 4.11Å; A193-I258 HydrophobicContact CB-CG2 3.91Å; L213-I258 HydrophobicContact CD2-CD1 3.24Å; L213-I258 HydrophobicContact CD2-CG1 3.89Å; L213-I258 HydrophobicContact CG-CD1 3.89Å; A254-I258 WeakPolarHBondContact O-CD1 3.22Å; A254-I258 PolarHBondContact O-N 3.02Å; A254-I258 VanDerWaalsContact O-N 3.15Å; N256-I258 PolarHBondContact O-N 3.24Å; I258-S260 PolarHBondContact O-N 3.34Å; I258-M261 HydrophobicContact CB-CB 4.47Å; I258-M261 HydrophobicContact CG1-CB 4.44Å; I258-M261 HydrophobicContact CG1-CG 4.43Å; I258-M261 HydrophobicContact CG1-SD 4.03Å; I258-M261 HydrophobicContact CG2-CB 4.12Å; I258-M261 CarbonylContact O-C 3.55Å; I258-M261 PolarHBondContact O-N 2.96Å; I258-M261 VanDerWaalsContact O-N 3.08Å; I258-L262 HydrophobicContact CG2-CB 3.7Å; I258-L262 HydrophobicContact CG2-CD1 3.34Å; I258-L262 HydrophobicContact CG2-CG 3.5Å; I258-L262 CarbonylContact O-C 3.58Å; I258-L262 WeakPolarHBondContact O-CA 3.4Å; I258-L262 WeakPolarHBondContact O-CB 3.06Å; I258-L262 PolarHBondContact O-N 3.22Å
259	N	86	Confident	87.7	Confident	48 Å²	48	46 Å²	46	26%	0.257	24%	0.236	S	C	.	.	H	α-helix	trans	-54.7	-14.3	162.6	-71.7	-49.6	0	0	0	112.7	A193 R194 K255 N256 L262 T263	A193-N259 WeakPolarHBondContact CB-OD1 3.47Å; R194-N259 PolarHBondContact O-ND2 3.06Å; K255-N259 PolarHBondContact O-N 3.48Å; K255-N259 PolarHBondContact O-ND2 3.16Å; N256-N259 PolarHBondContact O-N 2.96Å; N256-N259 VanDerWaalsContact O-N 3.12Å; N259-L262 CarbonylContact C-O 3.55Å; N259-T263 PolarHBondContact O-OG1 3.24Å
260	S	86.5	Confident	87.9	Confident	36 Å²	36	41.9 Å²	41.9	25%	0.252	21%	0.209	S	C	.	.	H	α-helix	trans	-93.8	-42.5	170.6	-41.4	0	0	0	0	114.3	N256 L257 I258 I270	N256-S260 PolarHBondContact O-N 3.36Å; N256-S260 PolarHBondContact O-OG 2.89Å; N256-S260 VanDerWaalsContact O-OG 3.05Å; L257-S260 CarbonylContact O-C 3.59Å; L257-S260 WeakPolarHBondContact O-CA 2.88Å; L257-S260 VanDerWaalsContact O-CB 3.26Å; L257-S260 WeakPolarHBondContact O-CB 3.5Å; L257-S260 PolarHBondContact O-N 3.03Å; I258-S260 PolarHBondContact O-N 3.34Å; S260-I270 WeakPolarHBondContact O-CB 3.47Å; S260-I270 WeakPolarHBondContact O-CG2 3.46Å; S260-I270 PolarHBondContact O-N 3.32Å; S260-I270 VanDerWaalsContact O-N 3.09Å
261	M	84.8	Confident	88.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-62.9	167.7	-67.9	-173.6	-178.7	0	0	109.7	I107 L111 V187 C190 A209 L257 I258 T263 R269 I270 A275	I107-M261 HydrophobicContact CG1-CE 4.08Å; L111-M261 HydrophobicContact CD1-CE 3.68Å; L111-M261 HydrophobicContact CD2-CE 3.94Å; L111-M261 HydrophobicContact CG-CE 4.22Å; V187-M261 HydrophobicContact CG1-CB 4.22Å; V187-M261 HydrophobicContact CG1-CG 4.21Å; C190-M261 HydrophobicContact CB-CE 4.34Å; C190-M261 HydrophobicContact CB-SD 3.66Å; A209-M261 CarbonylContact O-C 3.5Å; L257-M261 HydrophobicContact CD1-CE 3.95Å; L257-M261 HydrophobicContact CD1-CG 4.33Å; L257-M261 HydrophobicContact CD2-CE 4.06Å; L257-M261 HydrophobicContact CG-CE 4.04Å; L257-M261 PolarHBondContact O-N 3.39Å; I258-M261 HydrophobicContact CB-CB 4.47Å; I258-M261 HydrophobicContact CG1-CB 4.44Å; I258-M261 HydrophobicContact CG1-CG 4.43Å; I258-M261 HydrophobicContact CG1-SD 4.03Å; I258-M261 HydrophobicContact CG2-CB 4.12Å; I258-M261 CarbonylContact O-C 3.55Å; I258-M261 PolarHBondContact O-N 2.96Å; I258-M261 VanDerWaalsContact O-N 3.08Å; M261-T263 PolarHBondContact O-N 2.83Å; M261-R269 VanDerWaalsContact O-CG 3.31Å; M261-R269 WeakPolarHBondContact O-CG 3.45Å; M261-I270 HydrophobicContact CB-CG2 4.22Å; M261-I270 HydrophobicContact CG-CG2 3.85Å; M261-A275 HydrophobicContact CE-CB 4.09Å
262	L	83.9	Confident	88.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-50.9	76.6	159.4	-69.6	154.9	0	0	0	112	A193 I208 A209 G210 F223 Y240 I258 N259	A193-L262 HydrophobicContact CB-CD1 3.69Å; I208-L262 WeakPolarHBondContact CA-O 3.33Å; I208-L262 HydrophobicContact CB-CB 4.15Å; I208-L262 VanDerWaalsContact CB-O 3.27Å; I208-L262 WeakPolarHBondContact CB-O 3.5Å; I208-L262 WeakPolarHBondContact CG2-O 3.44Å; A209-L262 VanDerWaalsContact CA-CA 3.42Å; A209-L262 VanDerWaalsContact CA-CD2 3.49Å; A209-L262 VanDerWaalsContact N-CB 3.35Å; A209-L262 WeakPolarHBondContact O-CA 3.45Å; A209-L262 PolarHBondContact O-N 3.18Å; A209-L262 VanDerWaalsContact O-N 3.09Å; G210-L262 VanDerWaalsContact O-CD2 3.22Å; G210-L262 WeakPolarHBondContact O-CD2 3.21Å; F223-L262 HydrophobicContact CE2-CD2 4.13Å; F223-L262 HydrophobicContact CZ-CD2 3.96Å; Y240-L262 HydrophobicContact CD1-CD1 3.99Å; Y240-L262 HydrophobicContact CD1-CD2 3.62Å; Y240-L262 HydrophobicContact CD1-CG 4.42Å; Y240-L262 HydrophobicContact CE1-CB 3.89Å; Y240-L262 HydrophobicContact CE1-CD1 3.46Å; Y240-L262 VanDerWaalsContact CE1-CD1 3.46Å; Y240-L262 HydrophobicContact CE1-CD2 3.15Å; Y240-L262 HydrophobicContact CE1-CG 3.66Å; Y240-L262 HydrophobicContact CE2-CD1 4.49Å; Y240-L262 WeakPolarHBondContact OH-CB 3.2Å; I258-L262 HydrophobicContact CG2-CB 3.7Å; I258-L262 HydrophobicContact CG2-CD1 3.34Å; I258-L262 HydrophobicContact CG2-CG 3.5Å; I258-L262 CarbonylContact O-C 3.58Å; I258-L262 WeakPolarHBondContact O-CA 3.4Å; I258-L262 WeakPolarHBondContact O-CB 3.06Å; I258-L262 PolarHBondContact O-N 3.22Å; N259-L262 CarbonylContact C-O 3.55Å
263	T	82.8	Confident	88.1	Confident	9 Å²	9	42.1 Å²	42.1	6%	0.055	21%	0.207	C	C	.	.			trans	-133.6	102.8	161.4	-84.6	0	0	0	0	115.4	F207 A209 N259 M261 N265 K268 R269	F207-T263 HydrophobicContact CB-CG2 3.89Å; F207-T263 HydrophobicContact CD1-CG2 4.43Å; F207-T263 HydrophobicContact CD2-CG2 3.34Å; F207-T263 WeakPolarHBondContact CD2-OG1 3.46Å; F207-T263 HydrophobicContact CE2-CG2 3.97Å; F207-T263 HydrophobicContact CG-CG2 3.63Å; A209-T263 VanDerWaalsContact CB-N 3.33Å; A209-T263 WeakPolarHBondContact CB-O 3.43Å; N259-T263 PolarHBondContact O-OG1 3.24Å; M261-T263 PolarHBondContact O-N 2.83Å; T263-N265 VanDerWaalsContact C-N 3.35Å; T263-N265 VanDerWaalsContact CG2-O 3.26Å; T263-N265 WeakPolarHBondContact CG2-O 3.37Å; T263-N265 PolarHBondContact O-N 2.75Å; T263-K268 HydrophobicContact CG2-CB 4.02Å; T263-K268 WeakPolarHBondContact CG2-O 3.29Å; T263-R269 HydrophobicContact CG2-CB 4.01Å; T263-R269 PolarHBondContact O-NE 3.12Å; T263-R269 PolarHBondContact O-NH2 2.86Å
264	V	84.9	Confident	88.2	Confident	17 Å²	17	42.7 Å²	42.7	10%	0.103	21%	0.21	C	C	.	.	S	Bend	trans	-46.4	-43.6	175.7	154.8	0	0	0	0	113.8	P173 W188 F207 I208 P266 R269	P173-V264 HydrophobicContact CB-CG1 4.11Å; P173-V264 HydrophobicContact CB-CG2 4.44Å; P173-V264 HydrophobicContact CG-CB 4.14Å; P173-V264 HydrophobicContact CG-CG1 4.01Å; P173-V264 HydrophobicContact CG-CG2 3.58Å; W188-V264 HydrophobicContact CH2-CG2 4.35Å; W188-V264 HydrophobicContact CZ3-CG2 3.89Å; F207-V264 VanDerWaalsContact C-CB 3.46Å; F207-V264 VanDerWaalsContact C-CG2 3.48Å; F207-V264 HydrophobicContact CB-CB 4.3Å; I208-V264 VanDerWaalsContact C-N 3.34Å; I208-V264 VanDerWaalsContact N-CB 3.27Å; I208-V264 VanDerWaalsContact N-N 3.18Å; I208-V264 WeakPolarHBondContact O-CG2 3.23Å; V264-P266 WeakPolarHBondContact O-CD 3.31Å; V264-R269 PolarHBondContact O-NH2 2.75Å
265	N	84.6	Confident	88.3	Confident	60 Å²	60	42.7 Å²	42.7	32%	0.321	21%	0.21	S	C	.	.	S	Bend	trans	-77.5	110.1	179.1	-178.1	-21.5	0	0	0	109	F207 T263 R267 K268 R269	F207-N265 HydrophobicContact CD1-CB 3.48Å; F207-N265 VanDerWaalsContact CD1-CB 3.48Å; F207-N265 HydrophobicContact CE1-CB 3.33Å; F207-N265 HydrophobicContact CG-CB 4.36Å; F207-N265 HydrophobicContact CZ-CB 4.06Å; T263-N265 VanDerWaalsContact C-N 3.35Å; T263-N265 VanDerWaalsContact CG2-O 3.26Å; T263-N265 WeakPolarHBondContact CG2-O 3.37Å; T263-N265 PolarHBondContact O-N 2.75Å; N265-R267 PolarHBondContact O-N 3.34Å; N265-R267 WeakPolarHBondContact OD1-CB 3.43Å; N265-R267 PolarHBondContact OD1-N 3.12Å; N265-K268 PolarHBondContact O-N 2.8Å; N265-R269 PolarHBondContact O-N 3.1Å
266	P	85.9	Confident	88.4	Confident	25 Å²	25	43.3 Å²	43.3	16%	0.162	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-58.6	-25.9	-174.6	24.4	-34.6	0	0	0	113.1	E174 P184 V264 K268 R269	E174-P266 HydrophobicContact CG-CG 4.39Å; P184-P266 HydrophobicContact CB-CB 3.67Å; P184-P266 HydrophobicContact CG-CB 3.96Å; V264-P266 WeakPolarHBondContact O-CD 3.31Å; P266-K268 VanDerWaalsContact C-N 3.3Å; P266-K268 PolarHBondContact O-N 3.03Å; P266-R269 WeakPolarHBondContact O-CB 3.36Å; P266-R269 PolarHBondContact O-N 3.44Å
267	R	89.2	Confident	88.5	Confident	189 Å²	189	46.8 Å²	46.8	71%	0.713	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-75.4	-10.7	178.9	-58.2	-166.1	-179.7	-67.8	-9	115.1	D159 N265	D159-R267 IonicContact OD2-CZ 3.69Å; D159-R267 IonicContact OD2-NH1 2.66Å; D159-R267 PolarHBondContact OD2-NH1 3.31Å; D159-R267 IonicContact OD2-NH2 2.67Å; D159-R267 PolarHBondContact OD2-NH2 2.85Å; N265-R267 PolarHBondContact O-N 3.34Å; N265-R267 WeakPolarHBondContact OD1-CB 3.43Å; N265-R267 PolarHBondContact OD1-N 3.12Å
268	K	89.5	Confident	88.6	Confident	136 Å²	136	47.8 Å²	47.8	59%	0.591	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-116.9	4.2	172.3	-56.6	-141.9	-156.6	167.1	0	112.7	F207 T263 N265 P266	F207-K268 HydrophobicContact CD2-CB 4.38Å; F207-K268 HydrophobicContact CE2-CB 3.53Å; F207-K268 HydrophobicContact CE2-CD 3.76Å; F207-K268 HydrophobicContact CE2-CG 3.96Å; F207-K268 HydrophobicContact CZ-CB 3.76Å; F207-K268 HydrophobicContact CZ-CD 3.52Å; F207-K268 HydrophobicContact CZ-CG 3.7Å; T263-K268 HydrophobicContact CG2-CB 4.02Å; T263-K268 WeakPolarHBondContact CG2-O 3.29Å; N265-K268 PolarHBondContact O-N 2.8Å; P266-K268 VanDerWaalsContact C-N 3.3Å; P266-K268 PolarHBondContact O-N 3.03Å
269	R	90.6	Very high	88.9	Confident	12 Å²	12	51.3 Å²	51.3	5%	0.045	25%	0.253	C	S	.	.	S	Bend	trans	-71.4	139.5	179.7	-161	174.2	-60.1	158.3	3.7	108.9	E174 P184 V187 M261 T263 V264 N265 P266	E174-R269 VanDerWaalsContact CD-NH2 3.34Å; E174-R269 IonicContact OE1-CZ 2.82Å; E174-R269 IonicContact OE1-NH1 3.63Å; E174-R269 PolarHBondContact OE1-NH1 3.41Å; E174-R269 IonicContact OE1-NH2 3.9Å; E174-R269 PolarHBondContact OE1-NH2 3.47Å; E174-R269 VanDerWaalsContact OE1-NH2 3.13Å; E174-R269 IonicContact OE2-CZ 2.68Å; E174-R269 IonicContact OE2-NH1 2.69Å; E174-R269 IonicContact OE2-NH2 3.18Å; E174-R269 PolarHBondContact OE2-NH2 2.86Å; P184-R269 WeakPolarHBondContact O-CD 3.5Å; P184-R269 PolarHBondContact O-NH1 3.29Å; V187-R269 HydrophobicContact CB-CG 4.43Å; V187-R269 HydrophobicContact CG1-CG 4.27Å; M261-R269 VanDerWaalsContact O-CG 3.31Å; M261-R269 WeakPolarHBondContact O-CG 3.45Å; T263-R269 HydrophobicContact CG2-CB 4.01Å; T263-R269 PolarHBondContact O-NE 3.12Å; T263-R269 PolarHBondContact O-NH2 2.86Å; V264-R269 PolarHBondContact O-NH2 2.75Å; N265-R269 PolarHBondContact O-N 3.1Å; P266-R269 WeakPolarHBondContact O-CB 3.36Å; P266-R269 PolarHBondContact O-N 3.44Å
270	I	91.7	Very high	89.1	Confident	19 Å²	19	49.2 Å²	49.2	10%	0.097	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-57.7	141	173.6	-157.9	167.8	0	0	0	109.3	V187 L257 S260 M261 Q274 A275	V187-I270 HydrophobicContact CG1-CG2 3.99Å; L257-I270 HydrophobicContact CD1-CD1 4.45Å; S260-I270 WeakPolarHBondContact O-CB 3.47Å; S260-I270 WeakPolarHBondContact O-CG2 3.46Å; S260-I270 PolarHBondContact O-N 3.32Å; S260-I270 VanDerWaalsContact O-N 3.09Å; M261-I270 HydrophobicContact CB-CG2 4.22Å; M261-I270 HydrophobicContact CG-CG2 3.85Å; I270-Q274 HydrophobicContact CD1-CB 4.09Å; I270-Q274 HydrophobicContact CG1-CB 3.39Å; I270-A275 HydrophobicContact CD1-CB 4.15Å; I270-A275 HydrophobicContact CG1-CB 4.39Å; I270-A275 HydrophobicContact CG2-CB 4.22Å
271	T	91.5	Very high	89.2	Confident	63 Å²	63	47.6 Å²	47.6	39%	0.387	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-81.8	163.3	170.1	72.4	0	0	0	0	110.5	D273 Q274 A275	T271-D273 VanDerWaalsContact C-N 3.29Å; T271-D273 PolarHBondContact O-N 3.07Å; T271-Q274 PolarHBondContact O-N 3.32Å; T271-Q274 VanDerWaalsContact O-N 3.11Å; T271-Q274 WeakPolarHBondContact OG1-CG 3.41Å; T271-Q274 PolarHBondContact OG1-N 3.47Å; T271-A275 PolarHBondContact O-N 3.47Å
272	A	90.5	Very high	89.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.3	-43.4	174.3	0	0	0	0	0	111.6	L111 I114 A115 Q274 A275 L276	L111-A272 HydrophobicContact CD2-CB 4.43Å; I114-A272 HydrophobicContact CG2-CB 4.21Å; A115-A272 HydrophobicContact CB-CB 3.8Å; A272-Q274 PolarHBondContact O-N 3.38Å; A272-A275 PolarHBondContact O-N 2.83Å; A272-L276 WeakPolarHBondContact O-CG 3.48Å; A272-L276 PolarHBondContact O-N 3.29Å
273	D	90.5	Very high	88.6	Confident	75 Å²	75	54.3 Å²	54.3	40%	0.401	27%	0.272	S	S	.	.	H	α-helix	trans	-64.4	-21.8	176	-54.3	-96.3	0	0	0	115.1	T271 K277	T271-D273 VanDerWaalsContact C-N 3.29Å; T271-D273 PolarHBondContact O-N 3.07Å; D273-K277 WeakPolarHBondContact O-CD 3.4Å; D273-K277 WeakPolarHBondContact O-CE 3.48Å; D273-K277 WeakPolarHBondContact O-CG 3.31Å; D273-K277 PolarHBondContact O-NZ 3.04Å; D273-K277 VanDerWaalsContact O-NZ 3.12Å
274	Q	93.6	Very high	87.6	Confident	104 Å²	104	55.4 Å²	55.4	49%	0.486	28%	0.278	S	S	.	.	H	α-helix	trans	-87.4	-40.3	173.7	-73.8	169.5	-12.7	0	0	110.6	I270 T271 A272 L276 K277 H278	I270-Q274 HydrophobicContact CD1-CB 4.09Å; I270-Q274 HydrophobicContact CG1-CB 3.39Å; T271-Q274 PolarHBondContact O-N 3.32Å; T271-Q274 VanDerWaalsContact O-N 3.11Å; T271-Q274 WeakPolarHBondContact OG1-CG 3.41Å; T271-Q274 PolarHBondContact OG1-N 3.47Å; A272-Q274 PolarHBondContact O-N 3.38Å; Q274-L276 PolarHBondContact O-N 2.8Å; Q274-K277 CarbonylContact O-C 3.51Å; Q274-K277 PolarHBondContact O-N 3.44Å; Q274-K277 VanDerWaalsContact O-N 3.08Å; Q274-H278 PolarHBondContact O-N 3.26Å
275	A	92.1	Very high	86.1	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.8	-41.7	175.9	0	0	0	0	0	111.8	L111 L257 M261 I270 T271 A272 K277 H278 I281	L111-A275 HydrophobicContact CD1-CB 3.78Å; L111-A275 HydrophobicContact CD2-CB 3.99Å; L257-A275 HydrophobicContact CD1-CB 4.07Å; M261-A275 HydrophobicContact CE-CB 4.09Å; I270-A275 HydrophobicContact CD1-CB 4.15Å; I270-A275 HydrophobicContact CG1-CB 4.39Å; I270-A275 HydrophobicContact CG2-CB 4.22Å; T271-A275 PolarHBondContact O-N 3.47Å; A272-A275 PolarHBondContact O-N 2.83Å; A275-K277 PolarHBondContact O-N 3.2Å; A275-K277 VanDerWaalsContact O-N 3.08Å; A275-H278 VanDerWaalsContact O-CB 3.22Å; A275-H278 WeakPolarHBondContact O-CB 3.09Å; A275-H278 PolarHBondContact O-N 3.16Å; A275-I281 VanDerWaalsContact O-CD1 3.29Å; A275-I281 WeakPolarHBondContact O-CD1 3.49Å
276	L	90.8	Very high	84.2	Confident	39 Å²	39	62 Å²	62	20%	0.204	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-16.9	173.8	-72.5	169.2	0	0	0	114.4	Q108 L111 E112 A115 A272 Q274	Q108-L276 HydrophobicContact CG-CD2 4.06Å; L111-L276 HydrophobicContact CB-CD1 4.39Å; L111-L276 HydrophobicContact CB-CD2 3.56Å; L111-L276 HydrophobicContact CB-CG 3.8Å; L111-L276 HydrophobicContact CD1-CD2 4.32Å; E112-L276 HydrophobicContact CG-CD1 4.21Å; E112-L276 HydrophobicContact CG-CD2 3.79Å; A115-L276 HydrophobicContact CB-CD1 4.01Å; A272-L276 WeakPolarHBondContact O-CG 3.48Å; A272-L276 PolarHBondContact O-N 3.29Å; Q274-L276 PolarHBondContact O-N 2.8Å
277	K	92.8	Very high	81.9	Confident	151 Å²	151	62.4 Å²	62.4	66%	0.657	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	7.5	178.6	-62.8	168.8	-168	147.9	0	112.4	D273 Q274 A275	D273-K277 WeakPolarHBondContact O-CD 3.4Å; D273-K277 WeakPolarHBondContact O-CE 3.48Å; D273-K277 WeakPolarHBondContact O-CG 3.31Å; D273-K277 PolarHBondContact O-NZ 3.04Å; D273-K277 VanDerWaalsContact O-NZ 3.12Å; Q274-K277 CarbonylContact O-C 3.51Å; Q274-K277 PolarHBondContact O-N 3.44Å; Q274-K277 VanDerWaalsContact O-N 3.08Å; A275-K277 PolarHBondContact O-N 3.2Å; A275-K277 VanDerWaalsContact O-N 3.08Å
278	H	92.2	Very high	79.5	Confident	21 Å²	21	62.9 Å²	62.9	10%	0.097	33%	0.329	C	S	.	.	S	Bend	trans	-75.4	138.5	-179.8	-171.8	-81.3	0	0	0	110.8	E253 N256 L257 Q274 A275 W280 I281 C282	E253-H278 VanDerWaalsContact CA-CE1 3.47Å; E253-H278 WeakPolarHBondContact CA-CE1 3.02Å; E253-H278 PolarHBondContact O-CE1 3.26Å; N256-H278 PolarHBondContact OD1-NE2 3.22Å; L257-H278 HydrophobicContact CD1-CB 3.61Å; L257-H278 PolarHBondContact N-CE1 2.96Å; L257-H278 PolarHBondContact N-NE2 2.79Å; L257-H278 VanDerWaalsContact N-NE2 3.18Å; Q274-H278 PolarHBondContact O-N 3.26Å; A275-H278 VanDerWaalsContact O-CB 3.22Å; A275-H278 WeakPolarHBondContact O-CB 3.09Å; A275-H278 PolarHBondContact O-N 3.16Å; H278-W280 PolarHBondContact ND1-N 2.79Å; H278-W280 PolarHBondContact O-N 2.96Å; H278-W280 VanDerWaalsContact O-N 3.07Å; H278-I281 PolarHBondContact O-N 2.82Å; H278-C282 PolarHBondContact O-N 3.48Å; H278-C282 VanDerWaalsContact O-N 3.07Å; H278-C282 PolarHBondContact O-SG 3.2Å
279	P	91.6	Very high	76.9	Confident	73 Å²	73	63.7 Å²	63.7	47%	0.474	34%	0.337	S	S	.	.	H	α-helix	trans	-48.5	-38	-178.6	-32	36.4	0	0	0	115.3	I281 C282 V283	P279-I281 VanDerWaalsContact C-N 3.35Å; P279-I281 PolarHBondContact O-N 2.96Å; P279-C282 PolarHBondContact O-N 3.17Å; P279-V283 VanDerWaalsContact O-CB 3.26Å; P279-V283 WeakPolarHBondContact O-CB 3.19Å; P279-V283 VanDerWaalsContact O-CG2 3.25Å; P279-V283 WeakPolarHBondContact O-CG2 3.39Å; P279-V283 PolarHBondContact O-N 3.26Å
280	W	91.4	Very high	74.3	Confident	4 Å²	4	71.3 Å²	71.3	2%	0.015	37%	0.373	C	S	.	.	H	α-helix	trans	-61.2	-42	179.8	-169.7	73.1	0	0	0	112.6	E100 A103 I107 L213 L217 T251 E253 A254 L257 H278 N284	E100-W280 HydrophobicContact CB-CZ2 3.92Å; E100-W280 HydrophobicContact CG-CZ2 4.21Å; E100-W280 WeakPolarHBondContact O-CZ2 3.33Å; E100-W280 PolarHBondContact OE2-NE1 2.99Å; A103-W280 HydrophobicContact CB-CH2 3.98Å; I107-W280 HydrophobicContact CG2-CZ3 3.92Å; L213-W280 HydrophobicContact CD1-CH2 3.85Å; L213-W280 HydrophobicContact CD1-CZ3 4.07Å; L213-W280 HydrophobicContact CD2-CH2 4.32Å; L213-W280 HydrophobicContact CD2-CZ3 3.82Å; L217-W280 HydrophobicContact CD1-CH2 4.32Å; L217-W280 HydrophobicContact CD1-CZ2 4.3Å; L217-W280 HydrophobicContact CD2-CH2 4.27Å; L217-W280 HydrophobicContact CD2-CZ2 4.1Å; T251-W280 VanDerWaalsContact OG1-CD1 3.27Å; T251-W280 PolarHBondContact OG1-NE1 3.39Å; T251-W280 VanDerWaalsContact OG1-NE1 3.12Å; E253-W280 HydrophobicContact CB-CB 3.99Å; E253-W280 HydrophobicContact CB-CG 4.31Å; A254-W280 HydrophobicContact CB-CD2 4.11Å; A254-W280 HydrophobicContact CB-CG 4.26Å; A254-W280 HydrophobicContact CB-CZ2 4.05Å; L257-W280 HydrophobicContact CB-CB 4.5Å; L257-W280 HydrophobicContact CD2-CD2 4.43Å; L257-W280 HydrophobicContact CD2-CE3 3.57Å; L257-W280 HydrophobicContact CD2-CZ3 4.22Å; H278-W280 PolarHBondContact ND1-N 2.79Å; H278-W280 PolarHBondContact O-N 2.96Å; H278-W280 VanDerWaalsContact O-N 3.07Å; W280-N284 PolarHBondContact NE1-ND2 2.69Å; W280-N284 VanDerWaalsContact O-CB 3.26Å; W280-N284 WeakPolarHBondContact O-CB 3.34Å; W280-N284 PolarHBondContact O-N 3.38Å; W280-N284 PolarHBondContact O-ND2 3.04Å
281	I	87.7	Confident	71.8	Confident	3 Å²	3	72.8 Å²	72.8	2%	0.015	39%	0.388	C	S	.	.	H	α-helix	trans	-72.8	-47.1	177.2	-75.5	161.1	0	0	0	110.6	S104 I107 Q108 L111 L257 A275 H278 P279 V283 S285	S104-I281 WeakPolarHBondContact OG-CA 3.45Å; I107-I281 HydrophobicContact CG2-CD1 4.13Å; I107-I281 HydrophobicContact CG2-CG1 4.24Å; Q108-I281 HydrophobicContact CB-CG2 4.15Å; Q108-I281 HydrophobicContact CG-CG2 4.15Å; L111-I281 HydrophobicContact CD1-CD1 3.48Å; L111-I281 VanDerWaalsContact CD1-CD1 3.48Å; L257-I281 HydrophobicContact CD1-CD1 4.42Å; L257-I281 HydrophobicContact CD2-CD1 3.65Å; L257-I281 HydrophobicContact CD2-CG1 4.02Å; A275-I281 VanDerWaalsContact O-CD1 3.29Å; A275-I281 WeakPolarHBondContact O-CD1 3.49Å; H278-I281 PolarHBondContact O-N 2.82Å; P279-I281 VanDerWaalsContact C-N 3.35Å; P279-I281 PolarHBondContact O-N 2.96Å; I281-V283 PolarHBondContact O-N 3.13Å; I281-S285 PolarHBondContact O-N 2.83Å; I281-S285 PolarHBondContact O-OG 3.47Å
282	C	84.7	Confident	69.1	Low	54 Å²	54	73.8 Å²	73.8	37%	0.365	39%	0.394	S	S	.	.	H	α-helix	trans	-65.9	-37.2	-176.7	-57.9	0	0	0	0	113.1	H278 P279 S285	H278-C282 PolarHBondContact O-N 3.48Å; H278-C282 VanDerWaalsContact O-N 3.07Å; H278-C282 PolarHBondContact O-SG 3.2Å; P279-C282 PolarHBondContact O-N 3.17Å; C282-S285 PolarHBondContact O-OG 3.4Å
283	V	72.2	Confident	66.8	Low	86 Å²	86	75.2 Å²	75.2	52%	0.521	40%	0.402	S	S	.	.	H	α-helix	trans	-80.8	-43.9	-178.3	176.1	0	0	0	0	111.7	P279 I281 S285 I286 A287	P279-V283 VanDerWaalsContact O-CB 3.26Å; P279-V283 WeakPolarHBondContact O-CB 3.19Å; P279-V283 VanDerWaalsContact O-CG2 3.25Å; P279-V283 WeakPolarHBondContact O-CG2 3.39Å; P279-V283 PolarHBondContact O-N 3.26Å; I281-V283 PolarHBondContact O-N 3.13Å; V283-S285 VanDerWaalsContact C-N 3.25Å; V283-S285 PolarHBondContact O-N 3.4Å; V283-I286 PolarHBondContact O-N 3.09Å; V283-A287 PolarHBondContact O-N 2.82Å; V283-A287 VanDerWaalsContact O-N 3.1Å
284	N	62.4	Low	64.4	Low	33 Å²	33	81 Å²	81	18%	0.176	42%	0.423	C	S	.	.	H	α-helix	trans	-74	-13.7	-176.7	-68.8	-25	0	0	0	114	W280 I286	W280-N284 PolarHBondContact NE1-ND2 2.69Å; W280-N284 VanDerWaalsContact O-CB 3.26Å; W280-N284 WeakPolarHBondContact O-CB 3.34Å; W280-N284 PolarHBondContact O-N 3.38Å; W280-N284 PolarHBondContact O-ND2 3.04Å; N284-I286 PolarHBondContact O-N 3.38Å
285	S	53.6	Low	62.1	Low	71 Å²	71	79 Å²	79	50%	0.497	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-10.7	166	61.7	0	0	0	0	113.8	I281 C282 V283	I281-S285 PolarHBondContact O-N 2.83Å; I281-S285 PolarHBondContact O-OG 3.47Å; C282-S285 PolarHBondContact O-OG 3.4Å; V283-S285 VanDerWaalsContact C-N 3.25Å; V283-S285 PolarHBondContact O-N 3.4Å
286	I	44.3	Very low	59.4	Low	144 Å²	144	81.7 Å²	81.7	74%	0.738	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	-30.1	-178.3	-54.8	176.3	0	0	0	111.7	V283 N284	V283-I286 PolarHBondContact O-N 3.09Å; N284-I286 PolarHBondContact O-N 3.38Å
287	A	36.9	Very low	57	Low	33 Å²	33	83.6 Å²	83.6	27%	0.273	45%	0.452	S	S	.	.			trans	-94.4	106	-169.2	0	0	0	0	0	114.8	V283 M289	V283-A287 PolarHBondContact O-N 2.82Å; V283-A287 VanDerWaalsContact O-N 3.1Å; A287-M289 PolarHBondContact O-N 3.12Å; A287-M289 VanDerWaalsContact O-N 3.09Å
288	F	38	Very low	54.4	Low	199 Å²	199	76.9 Å²	76.9	87%	0.873	42%	0.424	S	S	*	.			trans	-72.9	90.8	162.1	-83.7	-93.6	0	0	0	110.8
289	M	36.4	Very low	51.7	Low	154 Å²	154	79.8 Å²	79.8	76%	0.759	45%	0.452	S	S	*	.			trans	-127.2	120.2	164.5	-70.9	-150.8	-67.8	0	0	111.5	A287 A291	A287-M289 PolarHBondContact O-N 3.12Å; A287-M289 VanDerWaalsContact O-N 3.09Å; M289-A291 PolarHBondContact O-N 3.04Å
290	H	35.4	Very low	49	Very low	171 Å²	171	81.4 Å²	81.4	79%	0.792	46%	0.46	S	S	*	.			trans	-77	86.6	-179.5	-73.4	-174.3	0	0	0	111.8
291	A	38.6	Very low	46.1	Very low	51 Å²	51	83.8 Å²	83.8	42%	0.421	49%	0.486	S	S	.	.			trans	-86.6	103.8	156.5	0	0	0	0	0	108.9	M289 L293	M289-A291 PolarHBondContact O-N 3.04Å; A291-L293 PolarHBondContact O-N 3.04Å
292	T	35.9	Very low	43.6	Very low	84 Å²	84	85.6 Å²	85.6	52%	0.515	50%	0.497	S	S	.	.			trans	-79.6	100.4	-175.8	-52.9	0	0	0	0	111.6	F97 K294	F97-T292 HydrophobicContact CD1-CG2 4.49Å; T292-K294 HydrophobicContact CG2-CG 4.4Å; T292-K294 PolarHBondContact O-N 3.45Å
293	L	40.6	Very low	41.2	Very low	29 Å²	29	87.1 Å²	87.1	15%	0.152	50%	0.496	C	S	.	.			trans	-75.3	105.6	168.7	-68.9	167.5	0	0	0	109.5	Y98 A291 Y295	Y98-L293 PolarHBondContact O-N 2.98Å; A291-L293 PolarHBondContact O-N 3.04Å; L293-Y295 HydrophobicContact CB-CD2 4.35Å; L293-Y295 HydrophobicContact CB-CE2 4.14Å; L293-Y295 PolarHBondContact O-N 3.5Å; L293-Y295 VanDerWaalsContact O-N 3.11Å
294	K	40.4	Very low	39.2	Very low	198 Å²	198	87 Å²	87	86%	0.861	50%	0.499	S	S	*	.			trans	-78.3	90.9	176.1	-81.6	-169.6	172.7	-176.2	0	111.1	T292 G296	T292-K294 HydrophobicContact CG2-CG 4.4Å; T292-K294 PolarHBondContact O-N 3.45Å; K294-G296 PolarHBondContact O-N 3.31Å
295	Y	45.1	Very low	37.9	Very low	61 Å²	61	89 Å²	89	24%	0.239	51%	0.512	C	S	.	.			trans	-72.1	86.8	175.4	-83.3	-67.8	0	0	0	113.3	Y98 L216 L217 V218 L293 L298	Y98-Y295 AromaticContact CD1-CE2 3.9Å; Y98-Y295 HydrophobicContact CD1-CE2 3.9Å; Y98-Y295 HydrophobicContact CG-CE2 4.44Å; L216-Y295 PolarHBondContact O-OH 2.69Å; L217-Y295 PolarHBondContact O-OH 2.99Å; V218-Y295 PolarHBondContact N-OH 2.78Å; L293-Y295 HydrophobicContact CB-CD2 4.35Å; L293-Y295 HydrophobicContact CB-CE2 4.14Å; L293-Y295 PolarHBondContact O-N 3.5Å; L293-Y295 VanDerWaalsContact O-N 3.11Å; Y295-L298 HydrophobicContact CD1-CD1 3.44Å; Y295-L298 VanDerWaalsContact CD1-CD1 3.44Å; Y295-L298 HydrophobicContact CD1-CG 3.79Å; Y295-L298 HydrophobicContact CE1-CD1 3.69Å; Y295-L298 HydrophobicContact CE1-CG 4.19Å; Y295-L298 HydrophobicContact CG-CD1 3.89Å
296	G	37.1	Very low	37.1	Very low	57 Å²	57	88.9 Å²	88.9	59%	0.588	50%	0.503	S	S	*	.			trans	-84.8	-26.4	168.1	0	0	0	0	0	114.4	K294	K294-G296 PolarHBondContact O-N 3.31Å
297	V	39.8	Very low	36.3	Very low	78 Å²	78	84.9 Å²	84.9	47%	0.473	50%	0.497	S	S	.	.	S	Bend	trans	-84.9	-33.2	-164.2	-177.1	0	0	0	0	113.7	A299 T300	V297-A299 PolarHBondContact O-N 2.7Å; V297-A299 VanDerWaalsContact O-N 3.09Å; V297-T300 PolarHBondContact O-N 2.58Å
298	L	39	Very low	35.9	Very low	10 Å²	10	87.2 Å²	87.2	5%	0.052	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.3	-174	-68.4	175.3	0	0	0	114.1	V93 G219 Y295 T300 Y303	V93-L298 HydrophobicContact CG1-CB 4.5Å; V93-L298 HydrophobicContact CG2-CB 3.78Å; V93-L298 HydrophobicContact CG2-CD1 3.75Å; V93-L298 HydrophobicContact CG2-CG 4.28Å; G219-L298 VanDerWaalsContact O-CD2 3.23Å; G219-L298 WeakPolarHBondContact O-CD2 3.38Å; Y295-L298 HydrophobicContact CD1-CD1 3.44Å; Y295-L298 VanDerWaalsContact CD1-CD1 3.44Å; Y295-L298 HydrophobicContact CD1-CG 3.79Å; Y295-L298 HydrophobicContact CE1-CD1 3.69Å; Y295-L298 HydrophobicContact CE1-CG 4.19Å; Y295-L298 HydrophobicContact CG-CD1 3.89Å; L298-T300 VanDerWaalsContact C-N 3.34Å; L298-Y303 HydrophobicContact CB-CE2 4.27Å; L298-Y303 HydrophobicContact CD2-CE2 3.79Å
299	A	35.5	Very low	35.5	Very low	83 Å²	83	82 Å²	82	69%	0.686	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-15.9	179.3	0	0	0	0	0	114.1	V297	V297-A299 PolarHBondContact O-N 2.7Å; V297-A299 VanDerWaalsContact O-N 3.09Å
300	T	33.7	Very low	35.1	Very low	107 Å²	107	79.6 Å²	79.6	66%	0.656	50%	0.502	S	S	*	.	S	Bend	trans	-138.6	94.7	-169.3	53.2	0	0	0	0	113.2	V297 L298	V297-T300 PolarHBondContact O-N 2.58Å; L298-T300 VanDerWaalsContact C-N 3.34Å
301	G	31.6	Very low	34.7	Very low	53 Å²	53	75.3 Å²	75.3	55%	0.546	50%	0.504	S	S	.	.	S	Bend	trans	107	-19.3	151.5	0	0	0	0	0	118.5	S304	G301-S304 PolarHBondContact O-OG 3.09Å; G301-S304 VanDerWaalsContact O-OG 3.13Å
302	T	35.3	Very low	34.2	Very low	42 Å²	42	80.4 Å²	80.4	26%	0.258	51%	0.513	S	S	.	.	S	Bend	trans	-84.3	-45.5	-175.5	49.7	0	0	0	0	113.9	S304 V305	T302-S304 PolarHBondContact O-N 2.89Å; T302-V305 WeakPolarHBondContact O-CB 3.39Å; T302-V305 PolarHBondContact O-N 3.08Å; T302-V305 VanDerWaalsContact O-N 3.13Å
303	Y	33.4	Very low	33.7	Very low	86 Å²	86	87.9 Å²	87.9	34%	0.337	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-24	-179.4	-75	-71.4	0	0	0	114.4	F89 V93 L298 V305 F306	F89-Y303 HydrophobicContact CB-CE1 4.24Å; V93-Y303 HydrophobicContact CG2-CE2 3.78Å; L298-Y303 HydrophobicContact CB-CE2 4.27Å; L298-Y303 HydrophobicContact CD2-CE2 3.79Å; Y303-V305 PolarHBondContact O-N 3.02Å; Y303-F306 VanDerWaalsContact O-O 3.09Å
304	S	30.9	Very low	33.2	Very low	84 Å²	84	95.3 Å²	95.3	59%	0.587	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-11.5	177.5	58.4	0	0	0	0	113.8	G301 T302 K354	G301-S304 PolarHBondContact O-OG 3.09Å; G301-S304 VanDerWaalsContact O-OG 3.13Å; T302-S304 PolarHBondContact O-N 2.89Å; S304-K354 PolarHBondContact O-NZ 3.37Å
305	V	34.3	Very low	32.5	Very low	73 Å²	73	93.8 Å²	93.8	44%	0.442	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.8	-40.4	176.6	-174.6	0	0	0	0	110.7	T302 Y303 G307	T302-V305 WeakPolarHBondContact O-CB 3.39Å; T302-V305 PolarHBondContact O-N 3.08Å; T302-V305 VanDerWaalsContact O-N 3.13Å; Y303-V305 PolarHBondContact O-N 3.02Å; V305-G307 PolarHBondContact O-N 3.18Å
306	F	36.2	Very low	31.7	Very low	70 Å²	70	98.5 Å²	98.5	31%	0.307	59%	0.588	S	S	.	*	S	Bend	trans	-85.1	109.1	176.9	-58.9	-77.1	0	0	0	110.1	P221 Y303 S308	P221-F306 HydrophobicContact CG-CZ 4.45Å; Y303-F306 VanDerWaalsContact O-O 3.09Å; F306-S308 PolarHBondContact O-N 3.39Å; F306-S308 VanDerWaalsContact O-N 3.09Å
307	G	28.6	Very low	31.1	Very low	60 Å²	60	99.6 Å²	99.6	62%	0.619	60%	0.599	S	S	*	*			trans	-78.2	95.1	-162.7	0	0	0	0	0	115.4	V305	V305-G307 PolarHBondContact O-N 3.18Å
308	S	28.6	Very low	30.6	Very low	81 Å²	81	101.8 Å²	101.8	57%	0.566	61%	0.613	S	S	*	*			trans	-78.9	124.1	162.2	-172.8	0	0	0	0	111.1	F306 A310	F306-S308 PolarHBondContact O-N 3.39Å; F306-S308 VanDerWaalsContact O-N 3.09Å; S308-A310 PolarHBondContact O-N 3Å
309	P	28.7	Very low	30.1	Very low	91 Å²	91	110.7 Å²	110.7	59%	0.591	65%	0.651	S	S	*	*			trans	-73	95.3	179.9	-18.3	33	0	0	0	113.2
310	A	29.3	Very low	29.8	Very low	103 Å²	103	116.3 Å²	116.3	85%	0.851	66%	0.66	S	S	*	*	S	Bend	trans	39.9	112.8	155.1	0	0	0	0	0	119.1	S308	S308-A310 PolarHBondContact O-N 3Å
311	G	27.4	Very low	29.7	Very low	81 Å²	81	118.8 Å²	118.8	84%	0.835	67%	0.669	S	S	*	*			trans	151.6	22.2	145	0	0	0	0	0	121.7
312	Y	26.2	Very low	29.6	Very low	158 Å²	158	121.5 Å²	121.5	62%	0.62	69%	0.686	S	S	*	*			trans	-117.8	69.1	177.4	-154.5	-100.5	0	0	0	115	R314	Y312-R314 HydrophobicContact CE2-CG 4.23Å; Y312-R314 PolarHBondContact OH-NE 3.16Å; Y312-R314 PolarHBondContact OH-NH1 3.18Å; Y312-R314 PolarHBondContact OH-NH2 3.4Å
313	R	26.6	Very low	29.3	Very low	241 Å²	241	123.3 Å²	123.3	91%	0.909	71%	0.714	S	S	*	*			trans	-107.3	105.5	153.5	-87.9	-170.8	174.9	-177.7	0.4	109.1
314	R	29.9	Very low	29.2	Very low	185 Å²	185	123.3 Å²	123.3	70%	0.698	74%	0.74	S	S	*	*			trans	-84.9	127.4	164	-73.7	-170.6	-178.4	165.8	7.2	109.7	Y312 L316	Y312-R314 HydrophobicContact CE2-CG 4.23Å; Y312-R314 PolarHBondContact OH-NE 3.16Å; Y312-R314 PolarHBondContact OH-NH1 3.18Å; Y312-R314 PolarHBondContact OH-NH2 3.4Å; R314-L316 PolarHBondContact O-N 2.79Å
315	N	25.2	Very low	29	Very low	166 Å²	166	123.8 Å²	123.8	89%	0.888	75%	0.748	S	S	*	*			trans	-70.8	93.5	169.3	-73.6	-19.2	0	0	0	110.1	G317	N315-G317 PolarHBondContact O-N 3.26Å
316	L	28.7	Very low	28.8	Very low	159 Å²	159	128.7 Å²	128.7	83%	0.832	77%	0.77	S	S	*	*			trans	-80.2	94.2	161.6	-89.1	165.7	0	0	0	108.7	R314 V318	R314-L316 PolarHBondContact O-N 2.79Å; L316-V318 PolarHBondContact O-N 3.24Å
317	G	24.8	Very low	28.5	Very low	80 Å²	80	131.4 Å²	131.4	83%	0.825	79%	0.792	S	S	*	*			trans	-70.2	89.1	-179.3	0	0	0	0	0	112.7	N315	N315-G317 PolarHBondContact O-N 3.26Å
318	V	28.7	Very low	28.6	Very low	125 Å²	125	138.6 Å²	138.6	76%	0.758	81%	0.806	S	S	*	*			trans	-89.2	116.8	170.1	-178.9	0	0	0	0	109.5	L316 K320	L316-V318 PolarHBondContact O-N 3.24Å; V318-K320 PolarHBondContact O-N 3.36Å
319	K	27.9	Very low	28.6	Very low	196 Å²	196	138 Å²	138	85%	0.852	81%	0.814	S	S	*	*			trans	-63.6	114.2	173.7	-67.2	178.5	177.8	179	0	109.9
320	K	30	Very low	28.6	Very low	201 Å²	201	139.4 Å²	139.4	87%	0.874	83%	0.826	S	S	*	*			trans	-87.6	114.6	161.5	-73.8	-168.2	176.5	-174.4	0	109	V318	V318-K320 PolarHBondContact O-N 3.36Å
321	N	31.5	Very low	28.7	Very low	160 Å²	160	141.6 Å²	141.6	86%	0.856	83%	0.829	S	S	*	*			trans	-69	147.1	162	-80.2	-3.8	0	0	0	109.3
322	A	29.4	Very low	28.8	Very low	109 Å²	109	146.7 Å²	146.7	90%	0.901	83%	0.831	S	S	*	*			trans	-83.2	152.5	176.9	0	0	0	0	0	111.9
323	G	30.2	Very low	29	Very low	81 Å²	81	144.8 Å²	144.8	84%	0.835	84%	0.84	S	S	*	*			trans	158.7	135.1	168.2	0	0	0	0	0	113.6
324	G	29.5	Very low	28.9	Very low	86 Å²	86	138.5 Å²	138.5	89%	0.887	83%	0.834	S	S	*	*			trans	85.6	92.9	166	0	0	0	0	0	116.1
325	A	27.1	Very low	28.8	Very low	93 Å²	93	134.2 Å²	134.2	77%	0.769	83%	0.832	S	S	*	*			trans	-96	156.7	158.2	0	0	0	0	0	110.1
326	I	30.8	Very low	29.2	Very low	176 Å²	176	134.6 Å²	134.6	90%	0.903	83%	0.828	S	S	*	*			trans	-162.6	147.7	144.8	-103.9	152.1	0	0	0	108.8
327	V	29.1	Very low	29.3	Very low	127 Å²	127	132.5 Å²	132.5	77%	0.77	82%	0.822	S	S	*	*			trans	-117.4	136.3	-171.7	173.4	0	0	0	0	110.8
328	K	31.2	Very low	29.9	Very low	211 Å²	211	134 Å²	134	92%	0.917	82%	0.815	S	S	*	*			trans	171.3	150	146.4	-93.9	154.6	-172.5	-176.3	0	109.1
329	G	28.9	Very low	30.8	Very low	70 Å²	70	134.1 Å²	134.1	72%	0.722	81%	0.812	S	S	*	*			cis	-162.8	177.2	-1	0	0	0	0	0	111.5
330	S	27.6	Very low	32	Very low	120 Å²	120	130.7 Å²	130.7	84%	0.839	80%	0.803	S	S	*	*			trans	-77.5	148.7	-168.5	-39	0	0	0	0	115.1
331	T	32.1	Very low	33.7	Very low	149 Å²	149	125.9 Å²	125.9	91%	0.914	79%	0.786	S	S	*	*			trans	-138.1	153.5	146.4	-43.3	0	0	0	0	108.2
332	E	30.4	Very low	35.9	Very low	187 Å²	187	125 Å²	125	87%	0.874	78%	0.777	S	S	*	*			trans	-101.2	167.9	-157.8	-63	172.1	128.2	0	0	115.3
333	S	28.6	Very low	38.2	Very low	118 Å²	118	122.7 Å²	122.7	83%	0.825	76%	0.758	S	S	*	*			trans	-64.6	139.2	-175.9	-38.2	0	0	0	0	114.6
334	S	25.9	Very low	40.7	Very low	110 Å²	110	122 Å²	122	77%	0.769	74%	0.735	S	S	*	*			trans	-172.2	147.9	138	25.8	0	0	0	0	114.3
335	S	27.7	Very low	43.3	Very low	94 Å²	94	120.1 Å²	120.1	66%	0.657	71%	0.707	S	S	*	*			trans	43	103.4	156	57.5	0	0	0	0	120.2
336	H	32.7	Very low	46.2	Very low	175 Å²	175	120.1 Å²	120.1	81%	0.81	69%	0.69	S	S	*	*				-173.2	80.7	115.4	-96.5	-67.1	0	0	0	109.7
337	T	30.4	Very low	48.9	Very low	115 Å²	115	114.4 Å²	114.4	71%	0.706	67%	0.669	S	S	*	*			trans	-120.2	88.2	-166.4	52.7	0	0	0	0	113.4
338	T	38.2	Very low	51.8	Low	111 Å²	111	111.1 Å²	111.1	68%	0.681	64%	0.642	S	S	*	*	S	Bend	trans	-143.8	-66.7	161.2	38.1	0	0	0	0	111.5	N341	T338-N341 PolarHBondContact O-N 3.34Å
339	D	48.9	Very low	54.8	Low	128 Å²	128	105.3 Å²	105.3	68%	0.684	62%	0.617	S	S	*	*	H	α-helix	trans	-61.9	-47.6	-170.4	-75.5	-46.7	0	0	0	114.7	N341 E342 A343	D339-N341 PolarHBondContact O-N 2.95Å; D339-E342 PolarHBondContact O-N 2.93Å; D339-A343 PolarHBondContact O-N 3.49Å
340	D	53	Low	57.8	Low	124 Å²	124	106.8 Å²	106.8	66%	0.663	60%	0.603	S	S	*	*	H	α-helix	trans	-57.3	-37.6	-175.7	-68.3	-32.9	0	0	0	112.6	A343 D344	D340-A343 PolarHBondContact O-N 2.93Å; D340-D344 WeakPolarHBondContact O-CB 2.85Å; D340-D344 PolarHBondContact O-N 3.22Å
341	N	65.8	Low	61	Low	99 Å²	99	105.1 Å²	105.1	53%	0.529	58%	0.583	S	S	.	*	H	α-helix	trans	-67.6	-34.5	177.7	-74.9	-18.4	0	0	0	112.1	T338 D339 T345	T338-N341 PolarHBondContact O-N 3.34Å; D339-N341 PolarHBondContact O-N 2.95Å; N341-T345 WeakPolarHBondContact O-CB 2.99Å; N341-T345 PolarHBondContact O-N 2.7Å; N341-T345 PolarHBondContact O-OG1 2.93Å
342	E	77.1	Confident	64.1	Low	141 Å²	141	98 Å²	98	66%	0.659	54%	0.539	S	S	*	.	H	α-helix	trans	-74.8	-41.1	176.2	-174.3	168.4	170.8	0	0	111	D339 T345 K346	D339-E342 PolarHBondContact O-N 2.93Å; E342-T345 PolarHBondContact O-N 2.92Å; E342-K346 WeakPolarHBondContact O-CB 3.2Å; E342-K346 PolarHBondContact O-N 2.96Å
343	A	78	Confident	67.1	Low	62 Å²	62	90.5 Å²	90.5	51%	0.512	51%	0.506	S	S	.	.	H	α-helix	trans	-60	-47.9	176.2	0	0	0	0	0	112.1	D339 D340 K346 A347	D339-A343 PolarHBondContact O-N 3.49Å; D340-A343 PolarHBondContact O-N 2.93Å; A343-K346 PolarHBondContact O-N 3.1Å; A343-A347 PolarHBondContact O-N 2.92Å
344	D	81.4	Confident	70.2	Confident	66 Å²	66	89.2 Å²	89.2	35%	0.353	49%	0.485	S	S	.	.	H	α-helix	trans	-63.2	-49.8	174.1	179.8	19.4	0	0	0	111.3	D340 K346 A347 R348	D340-D344 WeakPolarHBondContact O-CB 2.85Å; D340-D344 PolarHBondContact O-N 3.22Å; D344-K346 PolarHBondContact O-N 3.15Å; D344-K346 VanDerWaalsContact O-N 3.17Å; D344-A347 CarbonylContact O-C 3.5Å; D344-A347 WeakPolarHBondContact O-CA 3.33Å; D344-A347 WeakPolarHBondContact O-CB 3.13Å; D344-A347 PolarHBondContact O-N 3.08Å; D344-R348 WeakPolarHBondContact O-CG 3Å; D344-R348 PolarHBondContact O-N 2.91Å; D344-R348 WeakPolarHBondContact OD1-CG 3.26Å; D344-R348 IonicContact OD1-CZ 2.66Å; D344-R348 IonicContact OD1-NE 3.33Å; D344-R348 PolarHBondContact OD1-NE 3.14Å; D344-R348 IonicContact OD1-NH2 2.73Å; D344-R348 IonicContact OD2-CZ 3.86Å; D344-R348 IonicContact OD2-NE 3.56Å; D344-R348 PolarHBondContact OD2-NE 3.48Å; D344-R348 IonicContact OD2-NH2 3.72Å; D344-R348 PolarHBondContact OD2-NH2 3.36Å
345	T	85.3	Confident	73.6	Confident	47 Å²	47	85.8 Å²	85.8	29%	0.288	46%	0.458	S	S	.	.	H	α-helix	trans	-53.4	-41.3	175.3	-65.6	0	0	0	0	112	N341 E342 K349 I425	N341-T345 WeakPolarHBondContact O-CB 2.99Å; N341-T345 PolarHBondContact O-N 2.7Å; N341-T345 PolarHBondContact O-OG1 2.93Å; E342-T345 PolarHBondContact O-N 2.92Å; T345-K349 HydrophobicContact CG2-CD 4.18Å; T345-K349 WeakPolarHBondContact O-CB 3.08Å; T345-K349 WeakPolarHBondContact O-CG 3.19Å; T345-K349 PolarHBondContact O-N 2.82Å; T345-I425 HydrophobicContact CG2-CG1 4.36Å
346	K	87.3	Confident	76.8	Confident	93 Å²	93	81.3 Å²	81.3	40%	0.404	43%	0.427	S	S	.	.	H	α-helix	trans	-68.8	-36.5	177.1	-174.2	175.6	176.4	-175.9	0	112.2	E226 E342 A343 D344 K350	E226-K346 VanDerWaalsContact OE1-CE 3.24Å; E226-K346 WeakPolarHBondContact OE1-CE 3.18Å; E226-K346 IonicContact OE1-NZ 2.7Å; E226-K346 PolarHBondContact OE1-NZ 3.34Å; E226-K346 VanDerWaalsContact OE2-CE 3.3Å; E226-K346 WeakPolarHBondContact OE2-CE 3.46Å; E226-K346 IonicContact OE2-NZ 3.83Å; E226-K346 PolarHBondContact OE2-NZ 3.23Å; E342-K346 WeakPolarHBondContact O-CB 3.2Å; E342-K346 PolarHBondContact O-N 2.96Å; A343-K346 PolarHBondContact O-N 3.1Å; D344-K346 PolarHBondContact O-N 3.15Å; D344-K346 VanDerWaalsContact O-N 3.17Å; K346-K350 WeakPolarHBondContact O-CG 3.47Å; K346-K350 PolarHBondContact O-N 3.16Å
347	A	88.5	Confident	79.8	Confident	56 Å²	56	77.7 Å²	77.7	46%	0.463	41%	0.41	S	S	.	.	H	α-helix	trans	-65.9	-49.1	173.1	0	0	0	0	0	111.8	A343 D344 K349 K350 E351	A343-A347 PolarHBondContact O-N 2.92Å; D344-A347 CarbonylContact O-C 3.5Å; D344-A347 WeakPolarHBondContact O-CA 3.33Å; D344-A347 WeakPolarHBondContact O-CB 3.13Å; D344-A347 PolarHBondContact O-N 3.08Å; A347-K349 VanDerWaalsContact C-N 3.34Å; A347-K349 PolarHBondContact O-N 2.97Å; A347-K350 WeakPolarHBondContact O-CB 3.49Å; A347-K350 PolarHBondContact O-N 3.12Å; A347-K350 VanDerWaalsContact O-N 3.1Å; A347-E351 PolarHBondContact O-N 2.89Å
348	R	89.6	Confident	82.8	Confident	58 Å²	58	75 Å²	75	22%	0.219	40%	0.396	C	S	.	.	H	α-helix	trans	-56.6	-44.8	174.5	-63	172.6	-169.4	-153.6	6.4	111.9	D344 K350 E351 I352 I425 D428	D344-R348 WeakPolarHBondContact O-CG 3Å; D344-R348 PolarHBondContact O-N 2.91Å; D344-R348 WeakPolarHBondContact OD1-CG 3.26Å; D344-R348 IonicContact OD1-CZ 2.66Å; D344-R348 IonicContact OD1-NE 3.33Å; D344-R348 PolarHBondContact OD1-NE 3.14Å; D344-R348 IonicContact OD1-NH2 2.73Å; D344-R348 IonicContact OD2-CZ 3.86Å; D344-R348 IonicContact OD2-NE 3.56Å; D344-R348 PolarHBondContact OD2-NE 3.48Å; D344-R348 IonicContact OD2-NH2 3.72Å; D344-R348 PolarHBondContact OD2-NH2 3.36Å; R348-K350 VanDerWaalsContact C-N 3.29Å; R348-K350 PolarHBondContact O-N 2.87Å; R348-E351 WeakPolarHBondContact O-CB 3.36Å; R348-E351 PolarHBondContact O-N 2.99Å; R348-E351 VanDerWaalsContact O-N 3.08Å; R348-I352 WeakPolarHBondContact O-CG1 3Å; R348-I352 PolarHBondContact O-N 2.99Å; R348-I425 HydrophobicContact CB-CD1 3.89Å; R348-I425 HydrophobicContact CB-CG1 4.38Å; R348-D428 IonicContact CZ-OD1 2.68Å; R348-D428 IonicContact NH1-OD1 3.6Å; R348-D428 PolarHBondContact NH1-OD1 3.05Å; R348-D428 IonicContact NH2-OD1 2.87Å; R348-D428 PolarHBondContact NH2-OD1 3.01Å
349	K	93.6	Very high	85.5	Confident	89 Å²	89	69.7 Å²	69.7	39%	0.387	36%	0.363	S	S	.	.	H	α-helix	trans	-58.2	-39.8	176	-75	177.1	178.3	179.7	0	112.2	T345 A347 V353 V423 I425	T345-K349 HydrophobicContact CG2-CD 4.18Å; T345-K349 WeakPolarHBondContact O-CB 3.08Å; T345-K349 WeakPolarHBondContact O-CG 3.19Å; T345-K349 PolarHBondContact O-N 2.82Å; A347-K349 VanDerWaalsContact C-N 3.34Å; A347-K349 PolarHBondContact O-N 2.97Å; K349-V353 WeakPolarHBondContact O-CG2 3.4Å; K349-V353 PolarHBondContact O-N 3.03Å; K349-V423 HydrophobicContact CB-CB 4.24Å; K349-V423 HydrophobicContact CB-CG1 4.32Å; K349-V423 VanDerWaalsContact CE-O 3.3Å; K349-V423 WeakPolarHBondContact CE-O 3.25Å; K349-V423 HydrophobicContact CG-CB 3.9Å; K349-V423 HydrophobicContact CG-CG1 3.87Å; K349-I425 HydrophobicContact CG-CD1 4.17Å; K349-I425 HydrophobicContact CG-CG1 4.11Å
350	K	92.5	Very high	87.6	Confident	100 Å²	100	63.9 Å²	63.9	44%	0.435	33%	0.332	S	S	.	.	H	α-helix	trans	-67.7	-35.9	174	-70.1	174.8	-177.6	179.2	0	112.8	E226 K346 A347 R348 V353 K354	E226-K350 IonicContact OE1-NZ 2.72Å; E226-K350 PolarHBondContact OE1-NZ 2.85Å; K346-K350 WeakPolarHBondContact O-CG 3.47Å; K346-K350 PolarHBondContact O-N 3.16Å; A347-K350 WeakPolarHBondContact O-CB 3.49Å; A347-K350 PolarHBondContact O-N 3.12Å; A347-K350 VanDerWaalsContact O-N 3.1Å; R348-K350 VanDerWaalsContact C-N 3.29Å; R348-K350 PolarHBondContact O-N 2.87Å; K350-V353 PolarHBondContact O-N 3.33Å; K350-K354 WeakPolarHBondContact O-CG 3.18Å; K350-K354 PolarHBondContact O-N 2.89Å; K350-K354 VanDerWaalsContact O-N 3.08Å
351	E	94.8	Very high	89.3	Confident	86 Å²	86	61.7 Å²	61.7	40%	0.402	32%	0.321	S	S	.	.	H	α-helix	trans	-61.1	-49.4	174.9	-170.8	-175.3	-154.4	0	0	111.3	A347 R348 V353 K354 L355 W466	A347-E351 PolarHBondContact O-N 2.89Å; R348-E351 WeakPolarHBondContact O-CB 3.36Å; R348-E351 PolarHBondContact O-N 2.99Å; R348-E351 VanDerWaalsContact O-N 3.08Å; E351-V353 VanDerWaalsContact C-N 3.3Å; E351-V353 PolarHBondContact O-N 3.08Å; E351-K354 PolarHBondContact O-N 3.05Å; E351-K354 VanDerWaalsContact O-N 3.15Å; E351-L355 HydrophobicContact CG-CD1 3.99Å; E351-L355 HydrophobicContact CG-CG 4.48Å; E351-L355 WeakPolarHBondContact O-CG 2.96Å; E351-L355 PolarHBondContact O-N 3.38Å; E351-W466 VanDerWaalsContact CD-NE1 3.29Å; E351-W466 PolarHBondContact OE2-NE1 3.41Å
352	I	95.7	Very high	90.5	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.9	-35.8	-179.9	-61.8	-60.4	0	0	0	112.3	R348 L355 T356 V423 I425 A431 I433 W459 W466	R348-I352 WeakPolarHBondContact O-CG1 3Å; R348-I352 PolarHBondContact O-N 2.99Å; I352-L355 HydrophobicContact CD1-CD1 4.26Å; I352-T356 WeakPolarHBondContact O-CB 3.39Å; I352-T356 PolarHBondContact O-N 3.03Å; I352-T356 VanDerWaalsContact O-N 3.08Å; I352-T356 PolarHBondContact O-OG1 3.32Å; I352-V423 HydrophobicContact CB-CG1 4Å; I352-V423 HydrophobicContact CB-CG2 4.43Å; I352-V423 HydrophobicContact CG1-CG1 4.29Å; I352-V423 HydrophobicContact CG2-CG1 3.95Å; I352-V423 HydrophobicContact CG2-CG2 4.2Å; I352-I425 HydrophobicContact CG1-CD1 4.46Å; I352-A431 HydrophobicContact CD1-CB 3.75Å; I352-A431 HydrophobicContact CG1-CB 3.78Å; I352-I433 HydrophobicContact CG2-CB 3.9Å; I352-I433 HydrophobicContact CG2-CD1 4.42Å; I352-I433 HydrophobicContact CG2-CG2 3.97Å; I352-W459 HydrophobicContact CD1-CB 4Å; I352-W459 HydrophobicContact CD1-CG 4.19Å; I352-W459 HydrophobicContact CG2-CG 4.47Å; I352-W466 HydrophobicContact CD1-CD2 4.07Å; I352-W466 HydrophobicContact CD1-CE3 4.22Å; I352-W466 HydrophobicContact CD1-CH2 4.24Å; I352-W466 HydrophobicContact CD1-CZ2 4.06Å; I352-W466 HydrophobicContact CD1-CZ3 4.31Å
353	V	95.1	Very high	91.1	Very high	29 Å²	29	51.7 Å²	51.7	18%	0.176	27%	0.273	C	S	.	.	H	α-helix	trans	-64.5	-52	171.8	175.5	0	0	0	0	110.7	K349 K350 E351 L355 T356 E357 P421 V423 I433	K349-V353 WeakPolarHBondContact O-CG2 3.4Å; K349-V353 PolarHBondContact O-N 3.03Å; K350-V353 PolarHBondContact O-N 3.33Å; E351-V353 VanDerWaalsContact C-N 3.3Å; E351-V353 PolarHBondContact O-N 3.08Å; V353-L355 VanDerWaalsContact C-N 3.29Å; V353-L355 PolarHBondContact O-N 2.88Å; V353-T356 WeakPolarHBondContact O-CA 3Å; V353-T356 WeakPolarHBondContact O-CB 3.43Å; V353-T356 PolarHBondContact O-N 3.36Å; V353-E357 HydrophobicContact CG1-CG 4.25Å; V353-E357 WeakPolarHBondContact O-CG 3.3Å; V353-E357 PolarHBondContact O-N 3.35Å; V353-P421 HydrophobicContact CG2-CB 4.01Å; V353-P421 HydrophobicContact CG2-CG 4.43Å; V353-V423 HydrophobicContact CG2-CG2 3.91Å; V353-I433 HydrophobicContact CG2-CD1 4Å
354	K	93.9	Very high	91.4	Very high	91 Å²	91	50 Å²	50	40%	0.396	26%	0.261	S	S	.	.	H	α-helix	trans	-58.1	-37.7	179.3	-75	-175.2	174.4	-170	0	113.1	S304 K350 E351 S358	S304-K354 PolarHBondContact O-NZ 3.37Å; K350-K354 WeakPolarHBondContact O-CG 3.18Å; K350-K354 PolarHBondContact O-N 2.89Å; K350-K354 VanDerWaalsContact O-N 3.08Å; E351-K354 PolarHBondContact O-N 3.05Å; E351-K354 VanDerWaalsContact O-N 3.15Å; K354-S358 WeakPolarHBondContact O-CB 2.97Å; K354-S358 PolarHBondContact O-N 3.48Å; K354-S358 PolarHBondContact O-OG 3.42Å
355	L	95.6	Very high	91.4	Very high	37 Å²	37	50.3 Å²	50.3	19%	0.194	26%	0.257	C	S	.	.	H	α-helix	trans	-64.8	-42.1	173.9	-73.8	165.4	0	0	0	111.9	E351 I352 V353 S358 L359 M374 W459 W466	E351-L355 HydrophobicContact CG-CD1 3.99Å; E351-L355 HydrophobicContact CG-CG 4.48Å; E351-L355 WeakPolarHBondContact O-CG 2.96Å; E351-L355 PolarHBondContact O-N 3.38Å; I352-L355 HydrophobicContact CD1-CD1 4.26Å; V353-L355 VanDerWaalsContact C-N 3.29Å; V353-L355 PolarHBondContact O-N 2.88Å; L355-S358 PolarHBondContact O-N 3.19Å; L355-L359 WeakPolarHBondContact O-CB 3.39Å; L355-L359 PolarHBondContact O-N 3.39Å; L355-M374 HydrophobicContact CD2-CE 4.13Å; L355-M374 VanDerWaalsContact O-CE 3.29Å; L355-M374 WeakPolarHBondContact O-CE 3.38Å; L355-W459 HydrophobicContact CB-CH2 3.98Å; L355-W459 HydrophobicContact CB-CZ2 3.95Å; L355-W459 HydrophobicContact CB-CZ3 4.32Å; L355-W466 HydrophobicContact CD1-CB 3.61Å; L355-W466 HydrophobicContact CD1-CG 3.62Å
356	T	96.4	Very high	91.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-68	-42.4	178.6	-57.2	0	0	0	0	111.8	I352 V353 L359 L360 L418 I433 Y435 W459	I352-T356 WeakPolarHBondContact O-CB 3.39Å; I352-T356 PolarHBondContact O-N 3.03Å; I352-T356 VanDerWaalsContact O-N 3.08Å; I352-T356 PolarHBondContact O-OG1 3.32Å; V353-T356 WeakPolarHBondContact O-CA 3Å; V353-T356 WeakPolarHBondContact O-CB 3.43Å; V353-T356 PolarHBondContact O-N 3.36Å; T356-L359 PolarHBondContact O-N 3.14Å; T356-L360 HydrophobicContact CG2-CD1 4.25Å; T356-L360 VanDerWaalsContact O-CG 3.32Å; T356-L360 WeakPolarHBondContact O-CG 3.22Å; T356-L360 PolarHBondContact O-N 3.38Å; T356-L418 HydrophobicContact CG2-CD1 3.92Å; T356-I433 HydrophobicContact CG2-CD1 4.36Å; T356-I433 HydrophobicContact CG2-CG2 4.44Å; T356-I433 WeakPolarHBondContact OG1-CG2 3.39Å; T356-Y435 HydrophobicContact CG2-CD1 4.14Å; T356-Y435 HydrophobicContact CG2-CE1 3.45Å; T356-Y435 VanDerWaalsContact CG2-CE1 3.45Å; T356-W459 PolarHBondContact OG1-NE1 2.84Å; T356-W459 VanDerWaalsContact OG1-NE1 3.11Å
357	E	94.1	Very high	91.6	Very high	100 Å²	100	46.2 Å²	46.2	47%	0.467	25%	0.245	S	C	.	.	H	α-helix	trans	-59.1	-46.4	172.4	-68.7	176	134.9	0	0	111.4	V353 L359 L360 D361 L418	V353-E357 HydrophobicContact CG1-CG 4.25Å; V353-E357 WeakPolarHBondContact O-CG 3.3Å; V353-E357 PolarHBondContact O-N 3.35Å; E357-L359 VanDerWaalsContact C-N 3.35Å; E357-L359 PolarHBondContact O-N 3.36Å; E357-L360 PolarHBondContact O-N 3.45Å; E357-D361 VanDerWaalsContact O-CB 3.25Å; E357-D361 WeakPolarHBondContact O-CB 3.44Å; E357-D361 PolarHBondContact O-N 2.89Å; E357-L418 HydrophobicContact CG-CD1 4.49Å
358	S	93.8	Very high	91.8	Very high	57 Å²	57	45.8 Å²	45.8	40%	0.399	23%	0.232	S	C	.	.	H	α-helix	trans	-64	-36.8	179.8	-59.5	0	0	0	0	112.9	K354 L355 A362	K354-S358 WeakPolarHBondContact O-CB 2.97Å; K354-S358 PolarHBondContact O-N 3.48Å; K354-S358 PolarHBondContact O-OG 3.42Å; L355-S358 PolarHBondContact O-N 3.19Å; S358-A362 PolarHBondContact O-N 3.19Å
359	L	95.2	Very high	92	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.8	-44.7	174.5	-179.1	157.7	0	0	0	111.4	L355 T356 E357 D361 A362 V363 Y371 M374 W459 C468	L355-L359 WeakPolarHBondContact O-CB 3.39Å; L355-L359 PolarHBondContact O-N 3.39Å; T356-L359 PolarHBondContact O-N 3.14Å; E357-L359 VanDerWaalsContact C-N 3.35Å; E357-L359 PolarHBondContact O-N 3.36Å; L359-D361 VanDerWaalsContact C-N 3.3Å; L359-D361 PolarHBondContact O-N 3.2Å; L359-A362 WeakPolarHBondContact O-CB 3.32Å; L359-A362 PolarHBondContact O-N 3.09Å; L359-V363 HydrophobicContact CD2-CG2 4.4Å; L359-V363 WeakPolarHBondContact O-CG2 3.32Å; L359-V363 PolarHBondContact O-N 3.33Å; L359-Y371 HydrophobicContact CD2-CD2 4.19Å; L359-Y371 HydrophobicContact CD2-CE2 3.91Å; L359-Y371 HydrophobicContact CG-CD2 4.05Å; L359-Y371 HydrophobicContact CG-CE2 4.14Å; L359-M374 HydrophobicContact CB-CE 4.08Å; L359-M374 HydrophobicContact CB-SD 4.23Å; L359-M374 HydrophobicContact CD1-CB 4.41Å; L359-W459 HydrophobicContact CB-CH2 4.25Å; L359-W459 HydrophobicContact CB-CZ2 4.45Å; L359-W459 HydrophobicContact CD1-CH2 3.62Å; L359-W459 HydrophobicContact CD1-CZ2 3.94Å; L359-C468 HydrophobicContact CD1-CB 4.07Å
360	L	92.8	Very high	92	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.037	24%	0.241	C	C	.	.	H	α-helix	trans	-64.7	-34	176.6	-71.1	173	0	0	0	112.4	T356 E357 V363 G364 L418 Y435	T356-L360 HydrophobicContact CG2-CD1 4.25Å; T356-L360 VanDerWaalsContact O-CG 3.32Å; T356-L360 WeakPolarHBondContact O-CG 3.22Å; T356-L360 PolarHBondContact O-N 3.38Å; E357-L360 PolarHBondContact O-N 3.45Å; L360-V363 PolarHBondContact O-N 3.33Å; L360-G364 PolarHBondContact O-N 3.17Å; L360-L418 HydrophobicContact CD1-CD1 4Å; L360-Y435 HydrophobicContact CD1-CE2 3.83Å
361	D	88.8	Confident	92.1	Very high	77 Å²	77	40.6 Å²	40.6	41%	0.412	22%	0.221	S	C	.	.	H	α-helix	trans	-68.8	-37.2	173.5	173.1	42.9	0	0	0	112.2	E357 L359 G364 R365	E357-D361 VanDerWaalsContact O-CB 3.25Å; E357-D361 WeakPolarHBondContact O-CB 3.44Å; E357-D361 PolarHBondContact O-N 2.89Å; L359-D361 VanDerWaalsContact C-N 3.3Å; L359-D361 PolarHBondContact O-N 3.2Å; D361-G364 PolarHBondContact O-N 3.01Å; D361-R365 VanDerWaalsContact CG-CZ 3.44Å; D361-R365 VanDerWaalsContact CG-NH2 3.29Å; D361-R365 WeakPolarHBondContact O-CB 3.47Å; D361-R365 PolarHBondContact O-N 2.96Å; D361-R365 IonicContact OD1-CZ 3.46Å; D361-R365 IonicContact OD1-NH1 2.83Å; D361-R365 PolarHBondContact OD1-NH1 3.11Å; D361-R365 IonicContact OD1-NH2 2.85Å; D361-R365 IonicContact OD2-CZ 2.63Å; D361-R365 IonicContact OD2-NH1 3.98Å; D361-R365 PolarHBondContact OD2-NH1 2.72Å; D361-R365 IonicContact OD2-NH2 2.72Å; D361-R365 PolarHBondContact OD2-NH2 2.89Å
362	A	90.4	Very high	92.1	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-61.1	-45.6	168.9	0	0	0	0	0	112.3	S358 L359 R365 G366 D367 A370	S358-A362 PolarHBondContact O-N 3.19Å; L359-A362 WeakPolarHBondContact O-CB 3.32Å; L359-A362 PolarHBondContact O-N 3.09Å; A362-R365 PolarHBondContact O-N 3.27Å; A362-G366 PolarHBondContact O-N 3.21Å; A362-D367 PolarHBondContact O-N 3.27Å; A362-A370 HydrophobicContact CB-CB 3.82Å
363	V	89.6	Confident	92.1	Very high	30 Å²	30	44.5 Å²	44.5	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-46.4	173.3	176.1	0	0	0	0	111	L359 L360 R365 G366 Y371 F401	L359-V363 HydrophobicContact CD2-CG2 4.4Å; L359-V363 WeakPolarHBondContact O-CG2 3.32Å; L359-V363 PolarHBondContact O-N 3.33Å; L360-V363 PolarHBondContact O-N 3.33Å; V363-R365 VanDerWaalsContact C-N 3.31Å; V363-R365 PolarHBondContact O-N 2.82Å; V363-G366 PolarHBondContact O-N 3.25Å; V363-Y371 HydrophobicContact CG2-CD2 3.62Å; V363-Y371 HydrophobicContact CG2-CE2 3.7Å; V363-F401 HydrophobicContact CB-CZ 4.41Å; V363-F401 HydrophobicContact CG2-CZ 3.98Å
364	G	84.4	Confident	92.1	Very high	25 Å²	25	44.8 Å²	44.8	26%	0.258	24%	0.241	S	C	.	.	H	α-helix	trans	-60.6	-35.4	178.2	0	0	0	0	0	113.6	L360 D361 R404	L360-G364 PolarHBondContact O-N 3.17Å; D361-G364 PolarHBondContact O-N 3.01Å; G364-R404 PolarHBondContact O-NH1 3.29Å; G364-R404 PolarHBondContact O-NH2 2.68Å
365	R	81.7	Confident	92.2	Very high	73 Å²	73	40.7 Å²	40.7	28%	0.275	22%	0.224	S	C	.	.	H	α-helix	trans	-74.6	-26.1	172	-79.8	-168.8	-69.6	-93.2	-10	114.2	D361 A362 V363 D367 R404	D361-R365 VanDerWaalsContact CG-CZ 3.44Å; D361-R365 VanDerWaalsContact CG-NH2 3.29Å; D361-R365 WeakPolarHBondContact O-CB 3.47Å; D361-R365 PolarHBondContact O-N 2.96Å; D361-R365 IonicContact OD1-CZ 3.46Å; D361-R365 IonicContact OD1-NH1 2.83Å; D361-R365 PolarHBondContact OD1-NH1 3.11Å; D361-R365 IonicContact OD1-NH2 2.85Å; D361-R365 IonicContact OD2-CZ 2.63Å; D361-R365 IonicContact OD2-NH1 3.98Å; D361-R365 PolarHBondContact OD2-NH1 2.72Å; D361-R365 IonicContact OD2-NH2 2.72Å; D361-R365 PolarHBondContact OD2-NH2 2.89Å; A362-R365 PolarHBondContact O-N 3.27Å; V363-R365 VanDerWaalsContact C-N 3.31Å; V363-R365 PolarHBondContact O-N 2.82Å; R365-D367 HydrophobicContact CB-CB 4.13Å; R365-R404 PolarHBondContact O-NH1 2.69Å
366	G	87	Confident	92.2	Very high	30 Å²	30	40.1 Å²	40.1	31%	0.309	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	33.9	-166.1	0	0	0	0	0	111.8	A362 V363 Y368 F401 R404	A362-G366 PolarHBondContact O-N 3.21Å; V363-G366 PolarHBondContact O-N 3.25Å; G366-Y368 PolarHBondContact O-N 3.11Å; G366-F401 VanDerWaalsContact C-CD1 3.49Å; G366-R404 VanDerWaalsContact N-NH1 3.2Å
367	D	89.5	Confident	92	Very high	24 Å²	24	45.1 Å²	45.1	13%	0.128	26%	0.256	C	S	.	.			trans	-96.8	84.8	-178.3	-164.1	-39.5	0	0	0	110.4	R12 A362 R365 D369 A370 Y371	R12-D367 IonicContact CZ-OD2 3.87Å; R12-D367 IonicContact NH1-OD2 3.38Å; R12-D367 PolarHBondContact NH1-OD2 3.3Å; R12-D367 IonicContact NH2-OD2 3.13Å; R12-D367 PolarHBondContact NH2-OD2 3.17Å; A362-D367 PolarHBondContact O-N 3.27Å; R365-D367 HydrophobicContact CB-CB 4.13Å; D367-D369 VanDerWaalsContact C-N 3.26Å; D367-D369 PolarHBondContact O-N 3.38Å; D367-D369 PolarHBondContact OD1-N 2.79Å; D367-A370 HydrophobicContact CB-CB 4.09Å; D367-A370 PolarHBondContact O-N 2.95Å; D367-A370 WeakPolarHBondContact OD1-CB 3.47Å; D367-A370 PolarHBondContact OD1-N 3.05Å; D367-Y371 WeakPolarHBondContact O-CB 3.37Å; D367-Y371 PolarHBondContact O-N 3.03Å
368	Y	93.4	Very high	92	Very high	47 Å²	47	43.2 Å²	43.2	18%	0.184	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-33.2	-179.4	-177	-101.5	0	0	0	112.1	G366 A370 Y371 S372 M394 K398 F401	G366-Y368 PolarHBondContact O-N 3.11Å; Y368-A370 VanDerWaalsContact C-N 3.31Å; Y368-A370 PolarHBondContact O-N 2.82Å; Y368-Y371 HydrophobicContact CD2-CD1 4.24Å; Y368-Y371 HydrophobicContact CE2-CD1 4.38Å; Y368-Y371 PolarHBondContact O-N 3.12Å; Y368-S372 VanDerWaalsContact O-CB 3.29Å; Y368-S372 WeakPolarHBondContact O-CB 3.26Å; Y368-S372 PolarHBondContact O-N 3.05Å; Y368-S372 PolarHBondContact O-OG 3.37Å; Y368-M394 HydrophobicContact CE2-CE 4.28Å; Y368-M394 WeakPolarHBondContact OH-CB 3.42Å; Y368-K398 HydrophobicContact CD1-CG 4.33Å; Y368-K398 HydrophobicContact CD2-CB 4.25Å; Y368-K398 HydrophobicContact CD2-CG 4.14Å; Y368-K398 HydrophobicContact CE1-CD 4.18Å; Y368-K398 HydrophobicContact CE1-CG 3.94Å; Y368-K398 HydrophobicContact CE2-CB 3.56Å; Y368-K398 HydrophobicContact CE2-CG 3.74Å; Y368-K398 HydrophobicContact CG-CG 4.42Å; Y368-F401 HydrophobicContact CD2-CB 4.12Å; Y368-F401 HydrophobicContact CD2-CD1 4.43Å; Y368-F401 AromaticContact CD2-CD2 3.78Å; Y368-F401 HydrophobicContact CD2-CD2 3.78Å; Y368-F401 HydrophobicContact CD2-CE2 4.25Å; Y368-F401 AromaticContact CD2-CG 3.88Å; Y368-F401 HydrophobicContact CD2-CG 3.88Å; Y368-F401 HydrophobicContact CG-CB 4.4Å; Y368-F401 HydrophobicContact CG-CG 4.34Å
369	D	93.5	Very high	92	Very high	107 Å²	107	40.5 Å²	40.5	57%	0.572	23%	0.234	S	C	*	.	H	α-helix	trans	-66.3	-31.5	177.3	-82	-10.2	0	0	0	112.5	D367 K373	D367-D369 VanDerWaalsContact C-N 3.26Å; D367-D369 PolarHBondContact O-N 3.38Å; D367-D369 PolarHBondContact OD1-N 2.79Å; D369-K373 VanDerWaalsContact O-CD 3.32Å; D369-K373 WeakPolarHBondContact O-CD 3.23Å; D369-K373 WeakPolarHBondContact O-CE 3.33Å; D369-K373 VanDerWaalsContact O-CG 3.25Å; D369-K373 WeakPolarHBondContact O-CG 3.33Å; D369-K373 PolarHBondContact O-NZ 3.22Å
370	A	93.1	Very high	91.8	Very high	27 Å²	27	42.3 Å²	42.3	22%	0.223	25%	0.246	C	C	.	.	H	α-helix	trans	-77.2	-47.3	170.8	0	0	0	0	0	111.2	A362 D367 Y368 K373	A362-A370 HydrophobicContact CB-CB 3.82Å; D367-A370 HydrophobicContact CB-CB 4.09Å; D367-A370 PolarHBondContact O-N 2.95Å; D367-A370 WeakPolarHBondContact OD1-CB 3.47Å; D367-A370 PolarHBondContact OD1-N 3.05Å; Y368-A370 VanDerWaalsContact C-N 3.31Å; Y368-A370 PolarHBondContact O-N 2.82Å; A370-K373 PolarHBondContact O-N 3.04Å
371	Y	95.4	Very high	91.9	Very high	4 Å²	4	42 Å²	42	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-58	-51.7	-178.4	177.9	-107.8	0	0	0	112.6	L359 V363 D367 Y368 K373 M374 C375 M394 H397 F401	L359-Y371 HydrophobicContact CD2-CD2 4.19Å; L359-Y371 HydrophobicContact CD2-CE2 3.91Å; L359-Y371 HydrophobicContact CG-CD2 4.05Å; L359-Y371 HydrophobicContact CG-CE2 4.14Å; V363-Y371 HydrophobicContact CG2-CD2 3.62Å; V363-Y371 HydrophobicContact CG2-CE2 3.7Å; D367-Y371 WeakPolarHBondContact O-CB 3.37Å; D367-Y371 PolarHBondContact O-N 3.03Å; Y368-Y371 HydrophobicContact CD2-CD1 4.24Å; Y368-Y371 HydrophobicContact CE2-CD1 4.38Å; Y368-Y371 PolarHBondContact O-N 3.12Å; Y371-K373 VanDerWaalsContact C-N 3.26Å; Y371-K373 PolarHBondContact O-N 2.64Å; Y371-M374 PolarHBondContact O-N 3.17Å; Y371-C375 PolarHBondContact O-N 2.84Å; Y371-C375 PolarHBondContact O-SG 3.14Å; Y371-C375 VanDerWaalsContact O-SG 3.38Å; Y371-M394 HydrophobicContact CD1-CE 3.64Å; Y371-M394 HydrophobicContact CE1-CE 3.41Å; Y371-M394 VanDerWaalsContact CE1-CE 3.41Å; Y371-H397 HydrophobicContact CE1-CB 3.8Å; Y371-H397 PolarHBondContact OH-CD2 3.08Å; Y371-H397 PolarHBondContact OH-NE2 3.22Å; Y371-F401 HydrophobicContact CD1-CD2 4.46Å; Y371-F401 AromaticContact CD1-CE2 3.52Å; Y371-F401 HydrophobicContact CD1-CE2 3.52Å; Y371-F401 AromaticContact CD1-CZ 3.72Å; Y371-F401 HydrophobicContact CD1-CZ 3.72Å; Y371-F401 HydrophobicContact CD2-CE2 4.44Å; Y371-F401 HydrophobicContact CD2-CZ 4.08Å; Y371-F401 AromaticContact CE1-CE2 3.82Å; Y371-F401 HydrophobicContact CE1-CE2 3.82Å; Y371-F401 HydrophobicContact CE1-CZ 4.36Å; Y371-F401 AromaticContact CG-CE2 3.86Å; Y371-F401 HydrophobicContact CG-CE2 3.86Å; Y371-F401 AromaticContact CG-CZ 3.56Å; Y371-F401 HydrophobicContact CG-CZ 3.56Å
372	S	95.3	Very high	92	Very high	37 Å²	37	41.8 Å²	41.8	26%	0.259	24%	0.24	S	C	.	.	H	α-helix	trans	-63.3	-24.3	-179.4	56.4	0	0	0	0	114.6	Y368 M374	Y368-S372 VanDerWaalsContact O-CB 3.29Å; Y368-S372 WeakPolarHBondContact O-CB 3.26Å; Y368-S372 PolarHBondContact O-N 3.05Å; Y368-S372 PolarHBondContact O-OG 3.37Å; S372-M374 VanDerWaalsContact C-N 3.3Å
373	K	94.7	Very high	92.1	Very high	132 Å²	132	42.1 Å²	42.1	57%	0.574	24%	0.241	S	C	*	.	H	α-helix	trans	-77.3	-17.3	174.2	-68.7	179.2	-172.7	92.3	0	113.1	D369 A370 Y371	D369-K373 VanDerWaalsContact O-CD 3.32Å; D369-K373 WeakPolarHBondContact O-CD 3.23Å; D369-K373 WeakPolarHBondContact O-CE 3.33Å; D369-K373 VanDerWaalsContact O-CG 3.25Å; D369-K373 WeakPolarHBondContact O-CG 3.33Å; D369-K373 PolarHBondContact O-NZ 3.22Å; A370-K373 PolarHBondContact O-N 3.04Å; Y371-K373 VanDerWaalsContact C-N 3.26Å; Y371-K373 PolarHBondContact O-N 2.64Å
374	M	96	Very high	91.9	Very high	35 Å²	35	41.6 Å²	41.6	17%	0.172	24%	0.238	C	C	.	.	H	α-helix	trans	-101.1	-5.6	179.5	-60.3	-176.1	73.8	0	0	113.2	L355 L359 Y371 S372 W459 V467 C468	L355-M374 HydrophobicContact CD2-CE 4.13Å; L355-M374 VanDerWaalsContact O-CE 3.29Å; L355-M374 WeakPolarHBondContact O-CE 3.38Å; L359-M374 HydrophobicContact CB-CE 4.08Å; L359-M374 HydrophobicContact CB-SD 4.23Å; L359-M374 HydrophobicContact CD1-CB 4.41Å; Y371-M374 PolarHBondContact O-N 3.17Å; S372-M374 VanDerWaalsContact C-N 3.3Å; M374-W459 HydrophobicContact CE-CH2 4.07Å; M374-V467 CarbonylContact O-C 3.47Å; M374-V467 WeakPolarHBondContact O-CA 3.43Å; M374-C468 PolarHBondContact O-N 3.45Å
375	C	96.2	Very high	92	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.034	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	156.8	176.5	-59.8	0	0	0	0	110.2	Y371 M379 M394	Y371-C375 PolarHBondContact O-N 2.84Å; Y371-C375 PolarHBondContact O-SG 3.14Å; Y371-C375 VanDerWaalsContact O-SG 3.38Å; C375-M379 HydrophobicContact CB-CB 4.44Å; C375-M379 HydrophobicContact CB-CE 4.06Å; C375-M379 HydrophobicContact CB-SD 3.79Å; C375-M379 VanDerWaalsContact SG-SD 3.66Å; C375-M394 HydrophobicContact CB-CE 3.77Å; C375-M394 HydrophobicContact CB-SD 3.56Å; C375-M394 VanDerWaalsContact CB-SD 3.56Å
376	D	94.9	Very high	92.1	Very high	25 Å²	25	38.3 Å²	38.3	13%	0.134	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	147.2	165.8	-164.2	-63	0	0	0	109.6	S378 M379 R462 V467 C468 I469	D376-S378 PolarHBondContact O-N 3.35Å; D376-S378 PolarHBondContact OD1-N 2.87Å; D376-S378 PolarHBondContact OD1-OG 3.02Å; D376-M379 HydrophobicContact CB-CB 4.35Å; D376-M379 VanDerWaalsContact O-CB 3.23Å; D376-M379 WeakPolarHBondContact O-CB 3.46Å; D376-M379 PolarHBondContact O-N 2.78Å; D376-R462 IonicContact OD2-NE 2.86Å; D376-V467 HydrophobicContact CB-CG2 4.34Å; D376-C468 PolarHBondContact N-O 3.02Å; D376-I469 HydrophobicContact CB-CG2 3.92Å
377	S	92.9	Very high	92.1	Very high	105 Å²	105	44 Å²	44	73%	0.734	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	-23.1	176.2	44.7	0	0	0	0	112.9
378	S	92.5	Very high	91.7	Very high	59 Å²	59	45.3 Å²	45.3	41%	0.413	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	23.2	172.3	59.2	0	0	0	0	112.9	D376 T380	D376-S378 PolarHBondContact O-N 3.35Å; D376-S378 PolarHBondContact OD1-N 2.87Å; D376-S378 PolarHBondContact OD1-OG 3.02Å; S378-T380 PolarHBondContact O-N 2.83Å
379	M	94.4	Very high	91.3	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	130	176.9	-179.8	178.4	73.6	0	0	110.5	C375 D376 G393 M394 H397 C468 I469	C375-M379 HydrophobicContact CB-CB 4.44Å; C375-M379 HydrophobicContact CB-CE 4.06Å; C375-M379 HydrophobicContact CB-SD 3.79Å; C375-M379 VanDerWaalsContact SG-SD 3.66Å; D376-M379 HydrophobicContact CB-CB 4.35Å; D376-M379 VanDerWaalsContact O-CB 3.23Å; D376-M379 WeakPolarHBondContact O-CB 3.46Å; D376-M379 PolarHBondContact O-N 2.78Å; M379-G393 PolarHBondContact O-N 2.77Å; M379-M394 HydrophobicContact CB-SD 4.31Å; M379-M394 HydrophobicContact CE-SD 3.85Å; M379-H397 VanDerWaalsContact CE-CE1 3.43Å; M379-H397 WeakPolarHBondContact CE-CE1 3.35Å; M379-C468 WeakPolarHBondContact CG-O 3.34Å; M379-C468 HydrophobicContact SD-CB 3.94Å; M379-C468 VanDerWaalsContact SD-O 3.41Å; M379-I469 WeakPolarHBondContact CA-O 3.2Å
380	T	92.5	Very high	91.2	Very high	39 Å²	39	48.9 Å²	48.9	24%	0.239	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	147	174	52.3	0	0	0	0	111.1	S378 I390 I391 E392 I469 H470 F471	S378-T380 PolarHBondContact O-N 2.83Å; T380-I390 HydrophobicContact CG2-CG2 4.47Å; T380-I391 CarbonylContact C-O 3.52Å; T380-I391 WeakPolarHBondContact CA-O 3.46Å; T380-E392 HydrophobicContact CG2-CB 4.27Å; T380-E392 HydrophobicContact CG2-CG 4.12Å; T380-I469 PolarHBondContact N-O 3.38Å; T380-I469 PolarHBondContact OG1-O 2.96Å; T380-H470 CarbonylContact O-C 3.59Å; T380-H470 VanDerWaalsContact O-CA 3.29Å; T380-H470 WeakPolarHBondContact O-CA 3.35Å; T380-H470 PolarHBondContact O-ND1 3.44Å; T380-H470 PolarHBondContact OG1-ND1 3.4Å; T380-F471 PolarHBondContact O-N 3.41Å
381	C	93.7	Very high	90.9	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.007	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	156.9	168	72.6	0	0	0	0	114.2	E383 I390 I391 H397 F471	C381-E383 PolarHBondContact SG-OE1 3.27Å; C381-E383 VanDerWaalsContact SG-OE1 3.33Å; C381-I390 WeakPolarHBondContact O-CA 3.29Å; C381-I391 PolarHBondContact N-O 3.3Å; C381-I391 PolarHBondContact O-N 3.03Å; C381-H397 PolarHBondContact SG-CE1 3.2Å; C381-F471 CarbonylContact C-O 3.59Å; C381-F471 WeakPolarHBondContact CA-O 3.25Å; C381-F471 HydrophobicContact CB-CB 4.21Å; C381-F471 HydrophobicContact CB-CD1 4.08Å; C381-F471 WeakPolarHBondContact CB-O 3.48Å
382	F	91	Very high	90.8	Very high	71 Å²	71	56 Å²	56	31%	0.311	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	108.2	167.1	-168.6	-80.1	0	0	0	107.2	G388 I390 F471 H472 R473	F382-G388 VanDerWaalsContact CE2-O 3.26Å; F382-G388 WeakPolarHBondContact CE2-O 3.48Å; F382-I390 HydrophobicContact CD2-CG1 3.89Å; F382-F471 PolarHBondContact N-O 3.15Å; F382-H472 AromaticContact CD1-CD2 3.69Å; F382-H472 AromaticContact CD1-NE2 3.42Å; F382-H472 WeakPolarHBondContact CD1-NE2 3.4Å; F382-H472 AromaticContact CE1-NE2 3.98Å; F382-H472 CarbonylContact O-C 3.59Å; F382-H472 VanDerWaalsContact O-CA 3.27Å; F382-H472 WeakPolarHBondContact O-CA 3.36Å; F382-H472 PolarHBondContact O-CD2 3.29Å; F382-R473 PolarHBondContact O-N 3.3Å
383	E	91.9	Very high	90.6	Very high	8 Å²	8	54.9 Å²	54.9	4%	0.037	31%	0.307	C	S	.	.			trans	-143.2	160.9	-176.1	63.6	-170.3	145.3	0	0	111.2	C381 E385 G386 F396 H397 F471 R473	C381-E383 PolarHBondContact SG-OE1 3.27Å; C381-E383 VanDerWaalsContact SG-OE1 3.33Å; E383-E385 HydrophobicContact CG-CB 4.48Å; E383-E385 PolarHBondContact O-N 3.02Å; E383-G386 PolarHBondContact O-N 2.84Å; E383-F396 HydrophobicContact CG-CE1 4.3Å; E383-H397 IonicContact OE1-CD2 2.87Å; E383-H397 IonicContact OE1-NE2 2.66Å; E383-H397 PolarHBondContact OE1-NE2 3.12Å; E383-F471 WeakPolarHBondContact OE2-CE1 3.28Å; E383-R473 HydrophobicContact CB-CB 3.9Å; E383-R473 IonicContact OE2-CZ 3.93Å; E383-R473 IonicContact OE2-NH1 3.82Å; E383-R473 PolarHBondContact OE2-NH1 3.31Å; E383-R473 IonicContact OE2-NH2 3.84Å; E383-R473 PolarHBondContact OE2-NH2 3.3Å
384	P	85.5	Confident	90.5	Very high	19 Å²	19	49.5 Å²	49.5	12%	0.123	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-58.7	-25.2	-171.4	-24.6	33.5	0	0	0	114.7	L387 R473 C475	P384-L387 PolarHBondContact O-N 3.28Å; P384-R473 WeakPolarHBondContact CD-O 3.26Å; P384-R473 HydrophobicContact CG-CG 4.38Å; P384-C475 WeakPolarHBondContact CG-O 3.26Å
385	E	86.7	Confident	90.2	Very high	23 Å²	23	53.9 Å²	53.9	11%	0.107	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-74.8	-25.2	176.9	-63.3	80.5	174.5	0	0	112.7	E383 L387 F396 Y400 R473 S477 Y479	E383-E385 HydrophobicContact CG-CB 4.48Å; E383-E385 PolarHBondContact O-N 3.02Å; E385-L387 PolarHBondContact O-N 3.3Å; E385-F396 HydrophobicContact CB-CE1 4.16Å; E385-F396 HydrophobicContact CB-CZ 3.84Å; E385-Y400 WeakPolarHBondContact CB-OH 3.39Å; E385-R473 IonicContact OE1-CZ 3.4Å; E385-R473 IonicContact OE1-NH2 2.74Å; E385-R473 PolarHBondContact OE1-NH2 2.95Å; E385-R473 IonicContact OE2-CZ 2.86Å; E385-R473 IonicContact OE2-NE 2.6Å; E385-R473 IonicContact OE2-NH2 3.41Å; E385-R473 PolarHBondContact OE2-NH2 2.78Å; E385-S477 VanDerWaalsContact CD-OG 3.24Å; E385-S477 WeakPolarHBondContact OE1-CB 3.46Å; E385-S477 PolarHBondContact OE1-OG 2.99Å; E385-Y479 HydrophobicContact CG-CD2 4.46Å; E385-Y479 VanDerWaalsContact OE1-CD2 3.3Å; E385-Y479 WeakPolarHBondContact OE1-CD2 3.26Å
386	G	84.3	Confident	90	Very high	6 Å²	6	56.3 Å²	56.3	6%	0.062	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-75.1	0.7	171.7	0	0	0	0	0	113.9	E383 G388 N389	E383-G386 PolarHBondContact O-N 2.84Å; G386-G388 PolarHBondContact O-N 2.88Å; G386-G388 VanDerWaalsContact O-N 3.11Å; G386-N389 WeakPolarHBondContact O-CB 3.5Å; G386-N389 PolarHBondContact O-N 2.71Å; G386-N389 PolarHBondContact O-ND2 3.23Å
387	L	86.3	Confident	90	Very high	150 Å²	150	55.6 Å²	55.6	79%	0.785	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	33.8	176.5	-56.2	178.9	0	0	0	114	P384 E385	P384-L387 PolarHBondContact O-N 3.28Å; E385-L387 PolarHBondContact O-N 3.3Å
388	G	81.8	Confident	90	Very high	51 Å²	51	53.8 Å²	53.8	53%	0.526	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	4.5	-179.9	0	0	0	0	0	115.3	F382 G386	F382-G388 VanDerWaalsContact CE2-O 3.26Å; F382-G388 WeakPolarHBondContact CE2-O 3.48Å; G386-G388 PolarHBondContact O-N 2.88Å; G386-G388 VanDerWaalsContact O-N 3.11Å
389	N	85.8	Confident	90	Very high	104 Å²	104	55.3 Å²	55.3	56%	0.556	29%	0.293	S	S	*	.			trans	-91.2	151.6	173.3	-57.2	-83.1	0	0	0	111.2	G386	G386-N389 WeakPolarHBondContact O-CB 3.5Å; G386-N389 PolarHBondContact O-N 2.71Å; G386-N389 PolarHBondContact O-ND2 3.23Å
390	I	89.7	Confident	89.7	Confident	125 Å²	125	57 Å²	57	64%	0.641	30%	0.299	S	S	*	.			trans	-79.5	135	160.4	-62.3	170.9	0	0	0	107.5	T380 C381 F382	T380-I390 HydrophobicContact CG2-CG2 4.47Å; C381-I390 WeakPolarHBondContact O-CA 3.29Å; F382-I390 HydrophobicContact CD2-CG1 3.89Å
391	I	88.5	Confident	89.6	Confident	34 Å²	34	56.6 Å²	56.6	17%	0.174	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	144.3	175.4	-58.1	176.8	0	0	0	108	T380 C381 F396	T380-I391 CarbonylContact C-O 3.52Å; T380-I391 WeakPolarHBondContact CA-O 3.46Å; C381-I391 PolarHBondContact N-O 3.3Å; C381-I391 PolarHBondContact O-N 3.03Å; I391-F396 HydrophobicContact CD1-CB 4.43Å; I391-F396 HydrophobicContact CD1-CD1 3.46Å; I391-F396 VanDerWaalsContact CD1-CD1 3.46Å; I391-F396 HydrophobicContact CD1-CD2 3.75Å; I391-F396 HydrophobicContact CD1-CE1 3.43Å; I391-F396 VanDerWaalsContact CD1-CE1 3.43Å; I391-F396 HydrophobicContact CD1-CE2 3.73Å; I391-F396 HydrophobicContact CD1-CG 3.61Å; I391-F396 HydrophobicContact CD1-CZ 3.57Å; I391-F396 HydrophobicContact CG2-CB 3.76Å; I391-F396 HydrophobicContact CG2-CD1 4.43Å; I391-F396 HydrophobicContact CG2-CG 4.09Å
392	E	92.4	Very high	89.4	Confident	148 Å²	148	61 Å²	61	69%	0.692	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.9	174.7	-171.1	179.9	161.5	0	0	110.2	T380	T380-E392 HydrophobicContact CG2-CB 4.27Å; T380-E392 HydrophobicContact CG2-CG 4.12Å
393	G	90.1	Very high	89.2	Confident	13 Å²	13	61.8 Å²	61.8	13%	0.134	32%	0.322	C	S	.	.	S	Bend	trans	90.9	-178.8	175.4	0	0	0	0	0	114.8	M379	M379-G393 PolarHBondContact O-N 2.77Å
394	M	92.6	Very high	88.6	Confident	18 Å²	18	63.9 Å²	63.9	9%	0.089	33%	0.33	C	S	.	.	S	Bend	trans	-97.4	-17.6	-166.1	-65.6	-63.6	-60.7	0	0	114.5	Y368 Y371 C375 M379 F396 H397 K398	Y368-M394 HydrophobicContact CE2-CE 4.28Å; Y368-M394 WeakPolarHBondContact OH-CB 3.42Å; Y371-M394 HydrophobicContact CD1-CE 3.64Å; Y371-M394 HydrophobicContact CE1-CE 3.41Å; Y371-M394 VanDerWaalsContact CE1-CE 3.41Å; C375-M394 HydrophobicContact CB-CE 3.77Å; C375-M394 HydrophobicContact CB-SD 3.56Å; C375-M394 VanDerWaalsContact CB-SD 3.56Å; M379-M394 HydrophobicContact CB-SD 4.31Å; M379-M394 HydrophobicContact CE-SD 3.85Å; M394-F396 VanDerWaalsContact C-N 3.34Å; M394-F396 PolarHBondContact O-N 2.68Å; M394-H397 PolarHBondContact O-N 3.17Å; M394-K398 PolarHBondContact O-N 3.43Å
395	D	91.6	Very high	88	Confident	128 Å²	128	70.2 Å²	70.2	68%	0.684	36%	0.358	S	S	*	.	H	α-helix	trans	-64.9	-34.5	-171.3	-66.3	-37	0	0	0	113.5	K398 F399	D395-K398 WeakPolarHBondContact O-CB 3.45Å; D395-K398 PolarHBondContact O-N 2.76Å; D395-F399 PolarHBondContact O-N 2.93Å
396	F	92	Very high	87.3	Confident	55 Å²	55	74.1 Å²	74.1	24%	0.241	38%	0.383	C	S	.	.	H	α-helix	trans	-61.9	-47.2	174.6	-175.2	-104.2	0	0	0	111.7	E383 E385 I391 M394 K398 F399 Y400	E383-F396 HydrophobicContact CG-CE1 4.3Å; E385-F396 HydrophobicContact CB-CE1 4.16Å; E385-F396 HydrophobicContact CB-CZ 3.84Å; I391-F396 HydrophobicContact CD1-CB 4.43Å; I391-F396 HydrophobicContact CD1-CD1 3.46Å; I391-F396 VanDerWaalsContact CD1-CD1 3.46Å; I391-F396 HydrophobicContact CD1-CD2 3.75Å; I391-F396 HydrophobicContact CD1-CE1 3.43Å; I391-F396 VanDerWaalsContact CD1-CE1 3.43Å; I391-F396 HydrophobicContact CD1-CE2 3.73Å; I391-F396 HydrophobicContact CD1-CG 3.61Å; I391-F396 HydrophobicContact CD1-CZ 3.57Å; I391-F396 HydrophobicContact CG2-CB 3.76Å; I391-F396 HydrophobicContact CG2-CD1 4.43Å; I391-F396 HydrophobicContact CG2-CG 4.09Å; M394-F396 VanDerWaalsContact C-N 3.34Å; M394-F396 PolarHBondContact O-N 2.68Å; F396-K398 VanDerWaalsContact C-N 3.35Å; F396-F399 WeakPolarHBondContact O-CB 3.31Å; F396-F399 PolarHBondContact O-N 3.27Å; F396-Y400 HydrophobicContact CD1-CE2 4.14Å; F396-Y400 AromaticContact CE1-CE2 3.71Å; F396-Y400 HydrophobicContact CE1-CE2 3.71Å; F396-Y400 HydrophobicContact CE2-CE2 4.17Å; F396-Y400 AromaticContact CZ-CE2 3.73Å; F396-Y400 HydrophobicContact CZ-CE2 3.73Å; F396-Y400 VanDerWaalsContact O-CD2 3.24Å; F396-Y400 WeakPolarHBondContact O-CD2 3.18Å
397	H	92.8	Very high	86.6	Confident	11 Å²	11	75.5 Å²	75.5	5%	0.051	39%	0.388	C	S	.	.	H	α-helix	trans	-63.4	-42.8	173.3	-59.6	99.5	0	0	0	110.8	Y371 M379 C381 E383 M394 F399 Y400 F401 F471	Y371-H397 HydrophobicContact CE1-CB 3.8Å; Y371-H397 PolarHBondContact OH-CD2 3.08Å; Y371-H397 PolarHBondContact OH-NE2 3.22Å; M379-H397 VanDerWaalsContact CE-CE1 3.43Å; M379-H397 WeakPolarHBondContact CE-CE1 3.35Å; C381-H397 PolarHBondContact SG-CE1 3.2Å; E383-H397 IonicContact OE1-CD2 2.87Å; E383-H397 IonicContact OE1-NE2 2.66Å; E383-H397 PolarHBondContact OE1-NE2 3.12Å; M394-H397 PolarHBondContact O-N 3.17Å; H397-F399 VanDerWaalsContact C-N 3.27Å; H397-F399 PolarHBondContact O-N 3.36Å; H397-Y400 PolarHBondContact O-N 2.92Å; H397-F401 WeakPolarHBondContact O-CD2 2.93Å; H397-F401 PolarHBondContact O-N 3.08Å; H397-F471 AromaticContact NE2-CD1 3.92Å
398	K	93.2	Very high	85.6	Confident	66 Å²	66	69.7 Å²	69.7	29%	0.287	36%	0.357	S	S	.	.	H	α-helix	trans	-55.4	-41.2	179.8	-166.2	-169.1	-176.7	-55.6	0	112	Y368 M394 D395 F396 Y400 F401 D402	Y368-K398 HydrophobicContact CD1-CG 4.33Å; Y368-K398 HydrophobicContact CD2-CB 4.25Å; Y368-K398 HydrophobicContact CD2-CG 4.14Å; Y368-K398 HydrophobicContact CE1-CD 4.18Å; Y368-K398 HydrophobicContact CE1-CG 3.94Å; Y368-K398 HydrophobicContact CE2-CB 3.56Å; Y368-K398 HydrophobicContact CE2-CG 3.74Å; Y368-K398 HydrophobicContact CG-CG 4.42Å; M394-K398 PolarHBondContact O-N 3.43Å; D395-K398 WeakPolarHBondContact O-CB 3.45Å; D395-K398 PolarHBondContact O-N 2.76Å; F396-K398 VanDerWaalsContact C-N 3.35Å; K398-Y400 VanDerWaalsContact C-N 3.26Å; K398-Y400 PolarHBondContact O-N 2.61Å; K398-F401 PolarHBondContact O-N 2.71Å; K398-D402 IonicContact NZ-OD1 2.7Å; K398-D402 PolarHBondContact NZ-OD1 3.22Å; K398-D402 IonicContact NZ-OD2 3.19Å; K398-D402 PolarHBondContact NZ-OD2 2.77Å; K398-D402 PolarHBondContact O-N 3.22Å
399	F	92.5	Very high	84.3	Confident	91 Å²	91	70.1 Å²	70.1	40%	0.399	35%	0.351	S	S	.	.	H	α-helix	trans	-52.5	-42.1	175.7	172.2	-98.7	0	0	0	112.8	D395 F396 H397 H403 F407	D395-F399 PolarHBondContact O-N 2.93Å; F396-F399 WeakPolarHBondContact O-CB 3.31Å; F396-F399 PolarHBondContact O-N 3.27Å; H397-F399 VanDerWaalsContact C-N 3.27Å; H397-F399 PolarHBondContact O-N 3.36Å; F399-H403 AromaticContact CD2-CE1 3.49Å; F399-H403 VanDerWaalsContact CD2-CE1 3.49Å; F399-H403 WeakPolarHBondContact CD2-CE1 3.28Å; F399-H403 AromaticContact CD2-ND1 3.26Å; F399-H403 VanDerWaalsContact CD2-ND1 3.26Å; F399-H403 WeakPolarHBondContact CD2-ND1 3.19Å; F399-H403 AromaticContact CE2-CE1 3.58Å; F399-H403 AromaticContact CE2-CG 3.96Å; F399-H403 AromaticContact CE2-ND1 3.41Å; F399-H403 WeakPolarHBondContact CE2-ND1 3.44Å; F399-H403 AromaticContact CG-ND1 3.93Å; F399-H403 WeakPolarHBondContact O-CB 3.48Å; F399-H403 PolarHBondContact O-N 3.06Å; F399-H403 PolarHBondContact O-ND1 3.24Å; F399-F407 AromaticContact CE1-CE2 3.9Å; F399-F407 HydrophobicContact CE1-CE2 3.9Å; F399-F407 AromaticContact CE1-CZ 3.69Å; F399-F407 HydrophobicContact CE1-CZ 3.69Å; F399-F407 HydrophobicContact CZ-CE2 4.39Å; F399-F407 HydrophobicContact CZ-CZ 4.08Å
400	Y	89.1	Confident	82.6	Confident	36 Å²	36	68.3 Å²	68.3	14%	0.141	35%	0.35	C	S	.	.	H	α-helix	trans	-74.3	-26.2	177.2	-64.9	-73.5	0	0	0	114.3	E385 F396 H397 K398 R404 F407 Y479	E385-Y400 WeakPolarHBondContact CB-OH 3.39Å; F396-Y400 HydrophobicContact CD1-CE2 4.14Å; F396-Y400 AromaticContact CE1-CE2 3.71Å; F396-Y400 HydrophobicContact CE1-CE2 3.71Å; F396-Y400 HydrophobicContact CE2-CE2 4.17Å; F396-Y400 AromaticContact CZ-CE2 3.73Å; F396-Y400 HydrophobicContact CZ-CE2 3.73Å; F396-Y400 VanDerWaalsContact O-CD2 3.24Å; F396-Y400 WeakPolarHBondContact O-CD2 3.18Å; H397-Y400 PolarHBondContact O-N 2.92Å; K398-Y400 VanDerWaalsContact C-N 3.26Å; K398-Y400 PolarHBondContact O-N 2.61Å; Y400-R404 VanDerWaalsContact O-CA 3.31Å; Y400-R404 WeakPolarHBondContact O-CA 3.42Å; Y400-R404 WeakPolarHBondContact O-CB 3.4Å; Y400-R404 PolarHBondContact O-N 3.28Å; Y400-F407 AromaticContact CD1-CD2 3.93Å; Y400-F407 HydrophobicContact CD1-CD2 3.93Å; Y400-F407 AromaticContact CD1-CE2 3.73Å; Y400-F407 HydrophobicContact CD1-CE2 3.73Å; Y400-F407 HydrophobicContact CD1-CZ 4.29Å; Y400-F407 HydrophobicContact CE1-CD2 4.5Å; Y400-F407 HydrophobicContact CE1-CE2 4.06Å; Y400-F407 HydrophobicContact CE1-CZ 4.15Å; Y400-Y479 AromaticContact CD1-CD1 3.36Å; Y400-Y479 HydrophobicContact CD1-CD1 3.36Å; Y400-Y479 AromaticContact CD1-CE1 3.41Å; Y400-Y479 HydrophobicContact CD1-CE1 3.41Å; Y400-Y479 VanDerWaalsContact CD1-CE1 3.41Å; Y400-Y479 HydrophobicContact CD1-CG 4.05Å; Y400-Y479 AromaticContact CE1-CD1 3.65Å; Y400-Y479 HydrophobicContact CE1-CD1 3.65Å; Y400-Y479 HydrophobicContact CE1-CE1 4.18Å; Y400-Y479 AromaticContact CE1-CG 3.99Å; Y400-Y479 HydrophobicContact CE1-CG 3.99Å; Y400-Y479 HydrophobicContact CG-CD1 4.41Å; Y400-Y479 HydrophobicContact CG-CE1 4.11Å
401	F	90.2	Very high	80.8	Confident	31 Å²	31	71.3 Å²	71.3	14%	0.136	36%	0.359	C	S	.	.	H	α-helix	trans	-73.8	-43.6	170.4	-81.1	-96.9	0	0	0	111.4	V363 G366 Y368 Y371 H397 K398 R404	V363-F401 HydrophobicContact CB-CZ 4.41Å; V363-F401 HydrophobicContact CG2-CZ 3.98Å; G366-F401 VanDerWaalsContact C-CD1 3.49Å; Y368-F401 HydrophobicContact CD2-CB 4.12Å; Y368-F401 HydrophobicContact CD2-CD1 4.43Å; Y368-F401 AromaticContact CD2-CD2 3.78Å; Y368-F401 HydrophobicContact CD2-CD2 3.78Å; Y368-F401 HydrophobicContact CD2-CE2 4.25Å; Y368-F401 AromaticContact CD2-CG 3.88Å; Y368-F401 HydrophobicContact CD2-CG 3.88Å; Y368-F401 HydrophobicContact CG-CB 4.4Å; Y368-F401 HydrophobicContact CG-CG 4.34Å; Y371-F401 HydrophobicContact CD1-CD2 4.46Å; Y371-F401 AromaticContact CD1-CE2 3.52Å; Y371-F401 HydrophobicContact CD1-CE2 3.52Å; Y371-F401 AromaticContact CD1-CZ 3.72Å; Y371-F401 HydrophobicContact CD1-CZ 3.72Å; Y371-F401 HydrophobicContact CD2-CE2 4.44Å; Y371-F401 HydrophobicContact CD2-CZ 4.08Å; Y371-F401 AromaticContact CE1-CE2 3.82Å; Y371-F401 HydrophobicContact CE1-CE2 3.82Å; Y371-F401 HydrophobicContact CE1-CZ 4.36Å; Y371-F401 AromaticContact CG-CE2 3.86Å; Y371-F401 HydrophobicContact CG-CE2 3.86Å; Y371-F401 AromaticContact CG-CZ 3.56Å; Y371-F401 HydrophobicContact CG-CZ 3.56Å; H397-F401 WeakPolarHBondContact O-CD2 2.93Å; H397-F401 PolarHBondContact O-N 3.08Å; K398-F401 PolarHBondContact O-N 2.71Å; F401-R404 WeakPolarHBondContact O-CB 3.28Å
402	D	89.8	Confident	79.3	Confident	94 Å²	94	71.6 Å²	71.6	50%	0.503	36%	0.36	S	S	.	.	H	α-helix	trans	-65.6	-46.5	179.8	-69	-12	0	0	0	111.6	K398 R404	K398-D402 IonicContact NZ-OD1 2.7Å; K398-D402 PolarHBondContact NZ-OD1 3.22Å; K398-D402 IonicContact NZ-OD2 3.19Å; K398-D402 PolarHBondContact NZ-OD2 2.77Å; K398-D402 PolarHBondContact O-N 3.22Å; D402-R404 VanDerWaalsContact C-N 3.33Å; D402-R404 PolarHBondContact O-N 2.94Å
403	H	85.5	Confident	77.7	Confident	87 Å²	87	67.9 Å²	67.9	40%	0.403	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	22.7	-176.8	-56.6	86.3	0	0	0	112.7	F399 E405 T406 F407	F399-H403 AromaticContact CD2-CE1 3.49Å; F399-H403 VanDerWaalsContact CD2-CE1 3.49Å; F399-H403 WeakPolarHBondContact CD2-CE1 3.28Å; F399-H403 AromaticContact CD2-ND1 3.26Å; F399-H403 VanDerWaalsContact CD2-ND1 3.26Å; F399-H403 WeakPolarHBondContact CD2-ND1 3.19Å; F399-H403 AromaticContact CE2-CE1 3.58Å; F399-H403 AromaticContact CE2-CG 3.96Å; F399-H403 AromaticContact CE2-ND1 3.41Å; F399-H403 WeakPolarHBondContact CE2-ND1 3.44Å; F399-H403 AromaticContact CG-ND1 3.93Å; F399-H403 WeakPolarHBondContact O-CB 3.48Å; F399-H403 PolarHBondContact O-N 3.06Å; F399-H403 PolarHBondContact O-ND1 3.24Å; H403-E405 PolarHBondContact O-N 3.24Å; H403-E405 VanDerWaalsContact O-N 3.09Å; H403-T406 VanDerWaalsContact O-CB 3.28Å; H403-T406 WeakPolarHBondContact O-CB 3.35Å; H403-T406 PolarHBondContact O-N 3.11Å; H403-T406 PolarHBondContact O-OG1 3.25Å; H403-F407 HydrophobicContact CB-CD2 4.42Å; H403-F407 HydrophobicContact CB-CE2 3.86Å; H403-F407 WeakPolarHBondContact O-CD2 3.32Å
404	R	79.5	Confident	76.8	Confident	51 Å²	51	69.1 Å²	69.1	19%	0.192	35%	0.353	C	S	.	.	H	α-helix	trans	-53.4	-38.6	-170	-172.4	177.7	-176.8	-159.2	1.9	113.6	G364 R365 G366 Y400 F401 D402 T406 F407 L408	G364-R404 PolarHBondContact O-NH1 3.29Å; G364-R404 PolarHBondContact O-NH2 2.68Å; R365-R404 PolarHBondContact O-NH1 2.69Å; G366-R404 VanDerWaalsContact N-NH1 3.2Å; Y400-R404 VanDerWaalsContact O-CA 3.31Å; Y400-R404 WeakPolarHBondContact O-CA 3.42Å; Y400-R404 WeakPolarHBondContact O-CB 3.4Å; Y400-R404 PolarHBondContact O-N 3.28Å; F401-R404 WeakPolarHBondContact O-CB 3.28Å; D402-R404 VanDerWaalsContact C-N 3.33Å; D402-R404 PolarHBondContact O-N 2.94Å; R404-T406 PolarHBondContact O-N 2.89Å; R404-F407 PolarHBondContact O-N 3.31Å; R404-L408 HydrophobicContact CG-CB 4.26Å; R404-L408 HydrophobicContact CG-CD1 4.33Å; R404-L408 PolarHBondContact O-N 3.49Å
405	E	73.2	Confident	76.2	Confident	153 Å²	153	74.3 Å²	74.3	72%	0.715	38%	0.376	S	S	*	.	H	α-helix	trans	-66.1	-24.8	-176.9	-56.2	-163.1	158.9	0	0	113.7	H403 F407	H403-E405 PolarHBondContact O-N 3.24Å; H403-E405 VanDerWaalsContact O-N 3.09Å; E405-F407 VanDerWaalsContact C-N 3.34Å
406	T	73.1	Confident	75.8	Confident	104 Å²	104	70.3 Å²	70.3	64%	0.638	36%	0.356	S	S	*	.	H	α-helix	trans	-66.7	-36.2	174.8	-52.4	0	0	0	0	111.8	H403 R404	H403-T406 VanDerWaalsContact O-CB 3.28Å; H403-T406 WeakPolarHBondContact O-CB 3.35Å; H403-T406 PolarHBondContact O-N 3.11Å; H403-T406 PolarHBondContact O-OG1 3.25Å; R404-T406 PolarHBondContact O-N 2.89Å
407	F	68.1	Low	75.6	Confident	36 Å²	36	69.5 Å²	69.5	16%	0.158	36%	0.355	C	S	.	.	H	α-helix	trans	-105.4	-37.9	-169.3	-55.9	-65.1	0	0	0	113.4	F399 Y400 H403 R404 E405 P409 Y479 A482	F399-F407 AromaticContact CE1-CE2 3.9Å; F399-F407 HydrophobicContact CE1-CE2 3.9Å; F399-F407 AromaticContact CE1-CZ 3.69Å; F399-F407 HydrophobicContact CE1-CZ 3.69Å; F399-F407 HydrophobicContact CZ-CE2 4.39Å; F399-F407 HydrophobicContact CZ-CZ 4.08Å; Y400-F407 AromaticContact CD1-CD2 3.93Å; Y400-F407 HydrophobicContact CD1-CD2 3.93Å; Y400-F407 AromaticContact CD1-CE2 3.73Å; Y400-F407 HydrophobicContact CD1-CE2 3.73Å; Y400-F407 HydrophobicContact CD1-CZ 4.29Å; Y400-F407 HydrophobicContact CE1-CD2 4.5Å; Y400-F407 HydrophobicContact CE1-CE2 4.06Å; Y400-F407 HydrophobicContact CE1-CZ 4.15Å; H403-F407 HydrophobicContact CB-CD2 4.42Å; H403-F407 HydrophobicContact CB-CE2 3.86Å; H403-F407 WeakPolarHBondContact O-CD2 3.32Å; R404-F407 PolarHBondContact O-N 3.31Å; E405-F407 VanDerWaalsContact C-N 3.34Å; F407-P409 WeakPolarHBondContact O-CD 3.44Å; F407-Y479 HydrophobicContact CB-CD1 3.31Å; F407-Y479 HydrophobicContact CB-CE1 3.5Å; F407-Y479 VanDerWaalsContact CB-CE1 3.5Å; F407-Y479 HydrophobicContact CB-CG 4.45Å; F407-Y479 AromaticContact CD1-CD1 3.88Å; F407-Y479 HydrophobicContact CD1-CD1 3.88Å; F407-Y479 AromaticContact CD2-CD1 3.79Å; F407-Y479 HydrophobicContact CD2-CD1 3.79Å; F407-Y479 AromaticContact CD2-CE1 3.9Å; F407-Y479 HydrophobicContact CD2-CE1 3.9Å; F407-Y479 AromaticContact CG-CD1 3.41Å; F407-Y479 HydrophobicContact CG-CD1 3.41Å; F407-Y479 VanDerWaalsContact CG-CD1 3.41Å; F407-Y479 AromaticContact CG-CE1 3.83Å; F407-Y479 HydrophobicContact CG-CE1 3.83Å; F407-A482 HydrophobicContact CD1-CB 3.96Å; F407-A482 HydrophobicContact CE1-CB 3.72Å
408	L	66.1	Low	75.5	Confident	27 Å²	27	70.6 Å²	70.6	14%	0.141	36%	0.362	C	S	.	.	S	Bend	trans	-117.9	90.9	175.7	-66.6	174	0	0	0	106.7	R404 A410 M412 P478	R404-L408 HydrophobicContact CG-CB 4.26Å; R404-L408 HydrophobicContact CG-CD1 4.33Å; R404-L408 PolarHBondContact O-N 3.49Å; L408-A410 PolarHBondContact O-N 3.46Å; L408-M412 HydrophobicContact CD2-SD 3.79Å; L408-P478 HydrophobicContact CD2-CB 4.34Å
409	P	55	Low	75.3	Confident	61 Å²	61	70.7 Å²	70.7	40%	0.396	37%	0.365	S	S	.	.			trans	-50.4	132.2	-178.6	-27.5	34.3	0	0	0	110	F407 K411 M412	F407-P409 WeakPolarHBondContact O-CD 3.44Å; P409-K411 PolarHBondContact O-N 3.36Å; P409-M412 WeakPolarHBondContact O-CB 3.21Å; P409-M412 PolarHBondContact O-N 3.14Å
410	A	50.5	Low	75.1	Confident	65 Å²	65	70 Å²	70	54%	0.537	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	2.2	-165.4	0	0	0	0	0	116.7	L408	L408-A410 PolarHBondContact O-N 3.46Å
411	K	51.2	Low	75.3	Confident	188 Å²	188	71.2 Å²	71.2	82%	0.817	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-3.6	173.7	-61.1	174.7	-176.8	169.9	0	113.5	P409 V413	P409-K411 PolarHBondContact O-N 3.36Å; K411-V413 PolarHBondContact O-N 3.18Å
412	M	56.9	Low	75.5	Confident	40 Å²	40	75.4 Å²	75.4	20%	0.197	40%	0.403	C	S	.	.			trans	-69.2	95.8	172.6	-86.9	-167.9	172.3	0	0	110.9	L408 P409 S414 Y441 L442	L408-M412 HydrophobicContact CD2-SD 3.79Å; P409-M412 WeakPolarHBondContact O-CB 3.21Å; P409-M412 PolarHBondContact O-N 3.14Å; M412-S414 VanDerWaalsContact C-N 3.32Å; M412-S414 PolarHBondContact O-N 2.7Å; M412-Y441 HydrophobicContact CE-CD2 3.54Å; M412-Y441 HydrophobicContact CE-CE2 3.76Å; M412-Y441 HydrophobicContact CE-CG 4.28Å; M412-Y441 HydrophobicContact SD-CD2 4.2Å; M412-Y441 HydrophobicContact SD-CG 4.37Å; M412-L442 VanDerWaalsContact CG-O 3.31Å; M412-L442 WeakPolarHBondContact CG-O 3.2Å
413	V	59.4	Low	75.8	Confident	71 Å²	71	71.7 Å²	71.7	43%	0.43	38%	0.384	S	S	.	.			trans	-74.8	89.4	163.2	-178.1	0	0	0	0	107.9	K411	K411-V413 PolarHBondContact O-N 3.18Å
414	S	71.2	Confident	76.2	Confident	38 Å²	38	73.3 Å²	73.3	27%	0.266	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-85.4	124.3	178	62	0	0	0	0	111.7	M412 Q440	M412-S414 VanDerWaalsContact C-N 3.32Å; M412-S414 PolarHBondContact O-N 2.7Å; S414-Q440 CarbonylContact C-O 3.52Å; S414-Q440 VanDerWaalsContact CA-O 3.29Å; S414-Q440 WeakPolarHBondContact CA-O 3.49Å
415	K	79.6	Confident	76.8	Confident	127 Å²	127	73.1 Å²	73.1	55%	0.552	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	116.5	166.9	-174.8	-169.8	172.8	-160.8	0	109.6	Q440	K415-Q440 PolarHBondContact N-O 3.43Å; K415-Q440 PolarHBondContact O-N 2.89Å
416	T	83.8	Confident	77.7	Confident	44 Å²	44	71 Å²	71	27%	0.27	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	140.3	167	-62.4	0	0	0	0	109.7	R437 L438	T416-R437 HydrophobicContact CG2-CG 3.72Å; T416-L438 CarbonylContact C-O 3.5Å; T416-L438 WeakPolarHBondContact CA-O 3.35Å
417	T	87.2	Confident	78.5	Confident	38 Å²	38	68.9 Å²	68.9	23%	0.233	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.1	170.2	-51.4	0	0	0	0	108.3	L419 L438	T417-L419 HydrophobicContact CG2-CD2 3.9Å; T417-L419 HydrophobicContact CG2-CG 4.46Å; T417-L438 PolarHBondContact N-O 3.14Å; T417-L438 PolarHBondContact O-N 2.9Å
418	L	90.5	Very high	79.5	Confident	35 Å²	35	72 Å²	72	18%	0.183	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.3	175.2	-163.2	160.7	0	0	0	108.7	T356 E357 L360 P421 Y435	T356-L418 HydrophobicContact CG2-CD1 3.92Å; E357-L418 HydrophobicContact CG-CD1 4.49Å; L360-L418 HydrophobicContact CD1-CD1 4Å; L418-P421 HydrophobicContact CD2-CB 3.65Å; L418-P421 HydrophobicContact CD2-CG 3.88Å; L418-Y435 HydrophobicContact CD1-CD1 4.42Å; L418-Y435 HydrophobicContact CD1-CD2 3.94Å; L418-Y435 HydrophobicContact CD1-CE2 4.26Å; L418-Y435 HydrophobicContact CD1-CG 4.03Å; L418-Y435 HydrophobicContact CD2-CD2 4.29Å; L418-Y435 HydrophobicContact CD2-CG 4.04Å; L418-Y435 HydrophobicContact CG-CD2 3.67Å; L418-Y435 HydrophobicContact CG-CE2 4.36Å; L418-Y435 HydrophobicContact CG-CG 3.89Å
419	L	90	Very high	80.8	Confident	68 Å²	68	74.5 Å²	74.5	36%	0.356	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	139.1	-176.8	-59.3	176.2	0	0	0	110.2	T417 I436 L438	T417-L419 HydrophobicContact CG2-CD2 3.9Å; T417-L419 HydrophobicContact CG2-CG 4.46Å; L419-I436 HydrophobicContact CB-CB 4.1Å; L419-I436 HydrophobicContact CB-CG2 4.35Å; L419-I436 HydrophobicContact CD1-CG2 4.31Å; L419-I436 PolarHBondContact N-O 2.96Å; L419-I436 PolarHBondContact O-N 3.37Å; L419-L438 HydrophobicContact CD1-CB 3.94Å; L419-L438 HydrophobicContact CD1-CD2 4.41Å
420	S	87.6	Confident	82.7	Confident	77 Å²	77	72.6 Å²	72.6	54%	0.538	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.6	56.5	175.4	-57.2	0	0	0	0	115.3	H422	S420-H422 PolarHBondContact O-N 3.11Å; S420-H422 PolarHBondContact O-ND1 3.2Å
421	P	93.3	Very high	84.9	Confident	60 Å²	60	69.5 Å²	69.5	39%	0.39	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	116.8	175.2	23.6	-30.9	0	0	0	111.9	V353 L418 I433	V353-P421 HydrophobicContact CG2-CB 4.01Å; V353-P421 HydrophobicContact CG2-CG 4.43Å; L418-P421 HydrophobicContact CD2-CB 3.65Å; L418-P421 HydrophobicContact CD2-CG 3.88Å; P421-I433 HydrophobicContact CB-CD1 4.12Å
422	H	93.4	Very high	87.1	Confident	119 Å²	119	61.8 Å²	61.8	55%	0.551	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	107.6	171.9	-71.8	74.9	0	0	0	109.1	S420 I433 A434	S420-H422 PolarHBondContact O-N 3.11Å; S420-H422 PolarHBondContact O-ND1 3.2Å; H422-I433 WeakPolarHBondContact O-CA 3.26Å; H422-A434 PolarHBondContact N-O 3.19Å; H422-A434 PolarHBondContact O-N 3.42Å
423	V	96.1	Very high	89	Confident	16 Å²	16	59.9 Å²	59.9	10%	0.097	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.7	179.8	-177.5	0	0	0	0	110.7	K349 I352 V353 I425 C432 I433	K349-V423 HydrophobicContact CB-CB 4.24Å; K349-V423 HydrophobicContact CB-CG1 4.32Å; K349-V423 VanDerWaalsContact CE-O 3.3Å; K349-V423 WeakPolarHBondContact CE-O 3.25Å; K349-V423 HydrophobicContact CG-CB 3.9Å; K349-V423 HydrophobicContact CG-CG1 3.87Å; I352-V423 HydrophobicContact CB-CG1 4Å; I352-V423 HydrophobicContact CB-CG2 4.43Å; I352-V423 HydrophobicContact CG1-CG1 4.29Å; I352-V423 HydrophobicContact CG2-CG1 3.95Å; I352-V423 HydrophobicContact CG2-CG2 4.2Å; V353-V423 HydrophobicContact CG2-CG2 3.91Å; V423-I425 HydrophobicContact CG1-CD1 3.91Å; V423-C432 CarbonylContact C-O 3.57Å; V423-C432 WeakPolarHBondContact CA-O 3.48Å; V423-I433 HydrophobicContact CG2-CB 4.06Å; V423-I433 HydrophobicContact CG2-CD1 3.73Å; V423-I433 HydrophobicContact CG2-CG1 3.68Å
424	H	93.6	Very high	90.8	Very high	122 Å²	122	58.3 Å²	58.3	57%	0.565	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	114.4	169.8	-64.7	-89.8	0	0	0	109.1	A431 C432	H424-A431 CarbonylContact O-C 3.54Å; H424-A431 WeakPolarHBondContact O-CA 3.39Å; H424-C432 PolarHBondContact N-O 2.83Å; H424-C432 PolarHBondContact O-N 3.12Å
425	I	93.7	Very high	91.9	Very high	46 Å²	46	56.9 Å²	56.9	24%	0.236	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	129.3	167.9	-52.3	-56.3	0	0	0	107.1	T345 R348 K349 I352 V423 S427 A431	T345-I425 HydrophobicContact CG2-CG1 4.36Å; R348-I425 HydrophobicContact CB-CD1 3.89Å; R348-I425 HydrophobicContact CB-CG1 4.38Å; K349-I425 HydrophobicContact CG-CD1 4.17Å; K349-I425 HydrophobicContact CG-CG1 4.11Å; I352-I425 HydrophobicContact CG1-CD1 4.46Å; V423-I425 HydrophobicContact CG1-CD1 3.91Å; I425-S427 WeakPolarHBondContact CG2-O 3.43Å; I425-A431 HydrophobicContact CD1-CB 3.95Å
426	I	90.7	Very high	92.5	Very high	109 Å²	109	53.4 Å²	53.4	56%	0.559	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	-40	-176.4	-56.2	171.4	0	0	0	109.7	A430 C432	I426-A430 WeakPolarHBondContact CA-O 3.35Å; I426-A430 HydrophobicContact CB-CB 4.01Å; I426-A430 WeakPolarHBondContact CB-O 3.28Å; I426-A430 HydrophobicContact CG2-CB 4.42Å; I426-A430 PolarHBondContact N-O 3.09Å; I426-C432 HydrophobicContact CD1-CB 4.11Å
427	S	91.1	Very high	93	Very high	59 Å²	59	52.6 Å²	52.6	41%	0.413	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	-174.9	171	70	0	0	0	0	110	I425 D429 A430	I425-S427 WeakPolarHBondContact CG2-O 3.43Å; S427-D429 PolarHBondContact O-N 3.37Å; S427-D429 PolarHBondContact OG-N 3.49Å; S427-A430 PolarHBondContact N-O 3.01Å; S427-A430 PolarHBondContact O-N 3.08Å; S427-A430 VanDerWaalsContact O-O 3.11Å; S427-A430 WeakPolarHBondContact OG-CB 3.39Å; S427-A430 PolarHBondContact OG-N 1.95Å
428	D	89.1	Confident	93.1	Very high	102 Å²	102	52.9 Å²	52.9	55%	0.545	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.9	173	-57.1	-49.2	0	0	0	113.6	R348	R348-D428 IonicContact CZ-OD1 2.68Å; R348-D428 IonicContact NH1-OD1 3.6Å; R348-D428 PolarHBondContact NH1-OD1 3.05Å; R348-D428 IonicContact NH2-OD1 2.87Å; R348-D428 PolarHBondContact NH2-OD1 3.01Å
429	D	93.5	Very high	92.9	Very high	80 Å²	80	52.1 Å²	52.1	43%	0.428	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	8.1	-177.7	-67.1	-46.4	0	0	0	113.4	S427 C460 R461	S427-D429 PolarHBondContact O-N 3.37Å; S427-D429 PolarHBondContact OG-N 3.49Å; D429-C460 CarbonylContact O-C 3.59Å; D429-C460 VanDerWaalsContact O-CA 3.31Å; D429-C460 WeakPolarHBondContact O-CA 3.5Å; D429-R461 HydrophobicContact CB-CB 3.81Å; D429-R461 PolarHBondContact O-N 3.18Å; D429-R461 WeakPolarHBondContact OD1-CB 3.29Å; D429-R461 WeakPolarHBondContact OD1-CD 3.46Å
430	A	94.8	Very high	92.6	Very high	20 Å²	20	52.4 Å²	52.4	17%	0.165	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	134.1	-179.2	0	0	0	0	0	113.1	I426 S427 W459	I426-A430 WeakPolarHBondContact CA-O 3.35Å; I426-A430 HydrophobicContact CB-CB 4.01Å; I426-A430 WeakPolarHBondContact CB-O 3.28Å; I426-A430 HydrophobicContact CG2-CB 4.42Å; I426-A430 PolarHBondContact N-O 3.09Å; S427-A430 PolarHBondContact N-O 3.01Å; S427-A430 PolarHBondContact O-N 3.08Å; S427-A430 VanDerWaalsContact O-O 3.11Å; S427-A430 WeakPolarHBondContact OG-CB 3.39Å; S427-A430 PolarHBondContact OG-N 1.95Å; A430-W459 WeakPolarHBondContact CA-O 3.44Å
431	A	96.9	Very high	92.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	150.3	175	0	0	0	0	0	111.6	I352 H424 I425 W459 W466	I352-A431 HydrophobicContact CD1-CB 3.75Å; I352-A431 HydrophobicContact CG1-CB 3.78Å; H424-A431 CarbonylContact O-C 3.54Å; H424-A431 WeakPolarHBondContact O-CA 3.39Å; I425-A431 HydrophobicContact CD1-CB 3.95Å; A431-W459 PolarHBondContact N-O 3.27Å; A431-W459 PolarHBondContact O-N 3.08Å; A431-W459 VanDerWaalsContact O-O 3.12Å; A431-W466 HydrophobicContact CB-CH2 4.34Å; A431-W466 HydrophobicContact CB-CZ3 4.49Å
432	C	96.3	Very high	91.4	Very high	27 Å²	27	52 Å²	52	18%	0.182	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	140.9	171.9	-175.7	0	0	0	0	109.5	V423 H424 I426 T456 R457	V423-C432 CarbonylContact C-O 3.57Å; V423-C432 WeakPolarHBondContact CA-O 3.48Å; H424-C432 PolarHBondContact N-O 2.83Å; H424-C432 PolarHBondContact O-N 3.12Å; I426-C432 HydrophobicContact CD1-CB 4.11Å; C432-T456 VanDerWaalsContact SG-CG2 3.53Å; C432-R457 WeakPolarHBondContact CA-O 3.47Å
433	I	97.7	Very high	90.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.4	171.7	-174.4	177.8	0	0	0	109.9	I352 V353 T356 P421 H422 V423 Y435 T456 R457	I352-I433 HydrophobicContact CG2-CB 3.9Å; I352-I433 HydrophobicContact CG2-CD1 4.42Å; I352-I433 HydrophobicContact CG2-CG2 3.97Å; V353-I433 HydrophobicContact CG2-CD1 4Å; T356-I433 HydrophobicContact CG2-CD1 4.36Å; T356-I433 HydrophobicContact CG2-CG2 4.44Å; T356-I433 WeakPolarHBondContact OG1-CG2 3.39Å; P421-I433 HydrophobicContact CB-CD1 4.12Å; H422-I433 WeakPolarHBondContact O-CA 3.26Å; V423-I433 HydrophobicContact CG2-CB 4.06Å; V423-I433 HydrophobicContact CG2-CD1 3.73Å; V423-I433 HydrophobicContact CG2-CG1 3.68Å; I433-Y435 HydrophobicContact CD1-CD1 4.3Å; I433-Y435 HydrophobicContact CG1-CD1 4.09Å; I433-Y435 HydrophobicContact CG2-CD1 4.47Å; I433-Y435 HydrophobicContact CG2-CE1 4.42Å; I433-T456 CarbonylContact O-C 3.49Å; I433-T456 VanDerWaalsContact O-CA 3.3Å; I433-T456 WeakPolarHBondContact O-CA 3.44Å; I433-R457 HydrophobicContact CG2-CB 4.01Å; I433-R457 PolarHBondContact N-O 3.15Å; I433-R457 PolarHBondContact O-N 3.27Å
434	A	95.7	Very high	89.6	Confident	37 Å²	37	54.1 Å²	54.1	31%	0.306	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.9	169	0	0	0	0	0	109.3	H422	H422-A434 PolarHBondContact N-O 3.19Å; H422-A434 PolarHBondContact O-N 3.42Å
435	Y	95.8	Very high	89	Confident	8 Å²	8	54 Å²	54	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	157.6	-178.2	57.3	-86.1	0	0	0	112.1	T356 L360 L418 I433 R437 E455 R457	T356-Y435 HydrophobicContact CG2-CD1 4.14Å; T356-Y435 HydrophobicContact CG2-CE1 3.45Å; T356-Y435 VanDerWaalsContact CG2-CE1 3.45Å; L360-Y435 HydrophobicContact CD1-CE2 3.83Å; L418-Y435 HydrophobicContact CD1-CD1 4.42Å; L418-Y435 HydrophobicContact CD1-CD2 3.94Å; L418-Y435 HydrophobicContact CD1-CE2 4.26Å; L418-Y435 HydrophobicContact CD1-CG 4.03Å; L418-Y435 HydrophobicContact CD2-CD2 4.29Å; L418-Y435 HydrophobicContact CD2-CG 4.04Å; L418-Y435 HydrophobicContact CG-CD2 3.67Å; L418-Y435 HydrophobicContact CG-CE2 4.36Å; L418-Y435 HydrophobicContact CG-CG 3.89Å; I433-Y435 HydrophobicContact CD1-CD1 4.3Å; I433-Y435 HydrophobicContact CG1-CD1 4.09Å; I433-Y435 HydrophobicContact CG2-CD1 4.47Å; I433-Y435 HydrophobicContact CG2-CE1 4.42Å; Y435-R437 HydrophobicContact CD2-CB 4.24Å; Y435-R437 HydrophobicContact CE2-CB 4.09Å; Y435-E455 WeakPolarHBondContact CD1-O 3.35Å; Y435-E455 HydrophobicContact CD2-CB 4.12Å; Y435-E455 HydrophobicContact CE1-CB 4.03Å; Y435-E455 HydrophobicContact CE2-CB 3.47Å; Y435-E455 VanDerWaalsContact CE2-CB 3.47Å; Y435-E455 HydrophobicContact CE2-CG 4.25Å; Y435-E455 VanDerWaalsContact CZ-CB 3.41Å; Y435-E455 PolarHBondContact N-O 3.5Å; Y435-E455 PolarHBondContact O-N 3.49Å; Y435-E455 WeakPolarHBondContact OH-CB 3.33Å; Y435-E455 PolarHBondContact OH-OE2 2.8Å; Y435-R457 HydrophobicContact CE1-CG 4.36Å; Y435-R457 PolarHBondContact OH-NE 3.04Å; Y435-R457 PolarHBondContact OH-NH2 3.47Å
436	I	92.6	Very high	88.2	Confident	54 Å²	54	60.2 Å²	60.2	28%	0.277	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	129.3	168	-66.8	169.9	0	0	0	107.6	L419 Q452 E454	L419-I436 HydrophobicContact CB-CB 4.1Å; L419-I436 HydrophobicContact CB-CG2 4.35Å; L419-I436 HydrophobicContact CD1-CG2 4.31Å; L419-I436 PolarHBondContact N-O 2.96Å; L419-I436 PolarHBondContact O-N 3.37Å; I436-Q452 HydrophobicContact CG2-CG 3.57Å; I436-E454 HydrophobicContact CG1-CG 4.24Å
437	R	92.9	Very high	87.8	Confident	28 Å²	28	58.8 Å²	58.8	11%	0.106	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.3	176.3	-177.4	-171.4	174.8	175.4	1.9	109.5	T416 Y435 T439 Q452 S453 E455	T416-R437 HydrophobicContact CG2-CG 3.72Å; Y435-R437 HydrophobicContact CD2-CB 4.24Å; Y435-R437 HydrophobicContact CE2-CB 4.09Å; R437-T439 PolarHBondContact NE-OG1 3.27Å; R437-Q452 WeakPolarHBondContact O-CA 3.29Å; R437-S453 PolarHBondContact N-O 3Å; R437-S453 PolarHBondContact O-N 2.46Å; R437-E455 WeakPolarHBondContact CD-OE1 3.22Å; R437-E455 IonicContact CZ-OE1 2.69Å; R437-E455 IonicContact NE-OE1 2.65Å; R437-E455 IonicContact NH1-OE1 3.99Å; R437-E455 PolarHBondContact NH1-OE1 3.48Å; R437-E455 IonicContact NH1-OE2 3.58Å
438	L	89.2	Confident	87.5	Confident	44 Å²	44	59.7 Å²	59.7	23%	0.23	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	117.5	171.1	-177.7	68.5	0	0	0	109.5	T416 T417 L419 Q440 E451	T416-L438 CarbonylContact C-O 3.5Å; T416-L438 WeakPolarHBondContact CA-O 3.35Å; T417-L438 PolarHBondContact N-O 3.14Å; T417-L438 PolarHBondContact O-N 2.9Å; L419-L438 HydrophobicContact CD1-CB 3.94Å; L419-L438 HydrophobicContact CD1-CD2 4.41Å; L438-Q440 HydrophobicContact CD2-CG 4.34Å; L438-Q440 HydrophobicContact CG-CG 4.16Å; L438-E451 WeakPolarHBondContact CA-O 3.45Å
439	T	86	Confident	87.3	Confident	18 Å²	18	58.5 Å²	58.5	11%	0.11	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	115.6	176.4	-53.4	0	0	0	0	109.4	R437 Y441 S450 E451	R437-T439 PolarHBondContact NE-OG1 3.27Å; T439-Y441 HydrophobicContact CG2-CD1 4.36Å; T439-S450 WeakPolarHBondContact O-CA 3.18Å; T439-E451 PolarHBondContact N-O 2.93Å; T439-E451 PolarHBondContact O-N 3.33Å
440	Q	84.5	Confident	86.9	Confident	74 Å²	74	58.1 Å²	58.1	35%	0.346	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131.2	179.9	-44.7	-166.9	-86	0	0	109.3	S414 K415 L438 Q449 S450	S414-Q440 CarbonylContact C-O 3.52Å; S414-Q440 VanDerWaalsContact CA-O 3.29Å; S414-Q440 WeakPolarHBondContact CA-O 3.49Å; K415-Q440 PolarHBondContact N-O 3.43Å; K415-Q440 PolarHBondContact O-N 2.89Å; L438-Q440 HydrophobicContact CD2-CG 4.34Å; L438-Q440 HydrophobicContact CG-CG 4.16Å; Q440-Q449 WeakPolarHBondContact CA-O 3.39Å; Q440-S450 WeakPolarHBondContact CG-OG 3.18Å; Q440-S450 PolarHBondContact NE2-OG 3.49Å; Q440-S450 VanDerWaalsContact NE2-OG 3.15Å
441	Y	79.3	Confident	86.5	Confident	51 Å²	51	58.6 Å²	58.6	20%	0.2	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	169.7	-176.3	57.6	-102.1	0	0	0	112.4	M412 T439 D443 A448 Q449 E451	M412-Y441 HydrophobicContact CE-CD2 3.54Å; M412-Y441 HydrophobicContact CE-CE2 3.76Å; M412-Y441 HydrophobicContact CE-CG 4.28Å; M412-Y441 HydrophobicContact SD-CD2 4.2Å; M412-Y441 HydrophobicContact SD-CG 4.37Å; T439-Y441 HydrophobicContact CG2-CD1 4.36Å; Y441-D443 HydrophobicContact CE2-CB 4.46Å; Y441-A448 WeakPolarHBondContact O-CA 3.02Å; Y441-Q449 HydrophobicContact CD2-CB 3.89Å; Y441-Q449 HydrophobicContact CD2-CG 4.29Å; Y441-Q449 HydrophobicContact CE1-CB 4.47Å; Y441-Q449 HydrophobicContact CE2-CB 3.52Å; Y441-Q449 HydrophobicContact CE2-CG 3.8Å; Y441-Q449 PolarHBondContact N-O 2.83Å; Y441-Q449 VanDerWaalsContact N-O 3.16Å; Y441-Q449 PolarHBondContact O-N 2.81Å; Y441-E451 HydrophobicContact CE1-CB 4.02Å
442	L	76.5	Confident	86.1	Confident	78 Å²	78	63 Å²	63	41%	0.408	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.1	169.4	-61.8	-179.5	0	0	0	108.7	M412 V447 A448	M412-L442 VanDerWaalsContact CG-O 3.31Å; M412-L442 WeakPolarHBondContact CG-O 3.2Å; L442-V447 WeakPolarHBondContact CA-O 3.4Å; L442-A448 HydrophobicContact CD2-CB 4.03Å
443	D	76.5	Confident	85.8	Confident	31 Å²	31	62.1 Å²	62.1	17%	0.166	33%	0.326	C	S	.	.			trans	-72.9	-176.6	-179.7	69.8	19.9	0	0	0	113.5	Y441 N445 K446 V447 Q449	Y441-D443 HydrophobicContact CE2-CB 4.46Å; D443-N445 PolarHBondContact O-N 3.28Å; D443-N445 VanDerWaalsContact O-N 3.11Å; D443-N445 VanDerWaalsContact OD1-CA 3.28Å; D443-N445 WeakPolarHBondContact OD1-CA 3.34Å; D443-N445 WeakPolarHBondContact OD1-CB 3.41Å; D443-N445 PolarHBondContact OD1-N 3.06Å; D443-K446 WeakPolarHBondContact O-CA 3.18Å; D443-K446 PolarHBondContact O-N 3.18Å; D443-K446 PolarHBondContact OD1-N 3.12Å; D443-K446 VanDerWaalsContact OD1-N 3.11Å; D443-V447 PolarHBondContact N-O 2.6Å; D443-V447 PolarHBondContact OD1-N 2.77Å; D443-Q449 HydrophobicContact CB-CG 3.91Å; D443-Q449 PolarHBondContact OD2-NE2 2.9Å
444	K	75.8	Confident	85.6	Confident	148 Å²	148	66.5 Å²	66.5	64%	0.643	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-23.7	176.4	59.8	-155.9	175.1	-163.9	0	114.2	E481	K444-E481 IonicContact NZ-OE1 3.51Å; K444-E481 IonicContact NZ-OE2 2.68Å; K444-E481 PolarHBondContact NZ-OE2 3.09Å
445	N	81.3	Confident	85.6	Confident	120 Å²	120	64.8 Å²	64.8	64%	0.642	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	2.8	176.3	-55.6	-44.6	0	0	0	113	D443 V447	D443-N445 PolarHBondContact O-N 3.28Å; D443-N445 VanDerWaalsContact O-N 3.11Å; D443-N445 VanDerWaalsContact OD1-CA 3.28Å; D443-N445 WeakPolarHBondContact OD1-CA 3.34Å; D443-N445 WeakPolarHBondContact OD1-CB 3.41Å; D443-N445 PolarHBondContact OD1-N 3.06Å; N445-V447 VanDerWaalsContact C-N 3.25Å; N445-V447 HydrophobicContact CB-CG2 4.17Å; N445-V447 PolarHBondContact O-N 3Å
446	K	76.5	Confident	85.6	Confident	176 Å²	176	66.6 Å²	66.6	77%	0.765	34%	0.344	S	S	*	.			trans	64.5	19.8	-170.4	-49.1	175.4	-175.3	171.2	0	114.5	D443	D443-K446 WeakPolarHBondContact O-CA 3.18Å; D443-K446 PolarHBondContact O-N 3.18Å; D443-K446 PolarHBondContact OD1-N 3.12Å; D443-K446 VanDerWaalsContact OD1-N 3.11Å
447	V	81.4	Confident	85.8	Confident	80 Å²	80	64.2 Å²	64.2	49%	0.485	33%	0.332	S	S	.	.			trans	-79.7	138.9	173.1	-178.3	0	0	0	0	108.8	L442 D443 N445 Q449	L442-V447 WeakPolarHBondContact CA-O 3.4Å; D443-V447 PolarHBondContact N-O 2.6Å; D443-V447 PolarHBondContact OD1-N 2.77Å; N445-V447 VanDerWaalsContact C-N 3.25Å; N445-V447 HydrophobicContact CB-CG2 4.17Å; N445-V447 PolarHBondContact O-N 3Å; V447-Q449 PolarHBondContact O-N 3.43Å
448	A	84.6	Confident	86	Confident	78 Å²	78	64.4 Å²	64.4	65%	0.645	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	116.5	178.5	0	0	0	0	0	110.5	Y441 L442	Y441-A448 WeakPolarHBondContact O-CA 3.02Å; L442-A448 HydrophobicContact CD2-CB 4.03Å
449	Q	84.9	Confident	86.5	Confident	77 Å²	77	62.3 Å²	62.3	36%	0.36	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	163	175.6	-56.3	-61.4	-10.5	0	0	110.3	Q440 Y441 D443 V447	Q440-Q449 WeakPolarHBondContact CA-O 3.39Å; Y441-Q449 HydrophobicContact CD2-CB 3.89Å; Y441-Q449 HydrophobicContact CD2-CG 4.29Å; Y441-Q449 HydrophobicContact CE1-CB 4.47Å; Y441-Q449 HydrophobicContact CE2-CB 3.52Å; Y441-Q449 HydrophobicContact CE2-CG 3.8Å; Y441-Q449 PolarHBondContact N-O 2.83Å; Y441-Q449 VanDerWaalsContact N-O 3.16Å; Y441-Q449 PolarHBondContact O-N 2.81Å; D443-Q449 HydrophobicContact CB-CG 3.91Å; D443-Q449 PolarHBondContact OD2-NE2 2.9Å; V447-Q449 PolarHBondContact O-N 3.43Å
450	S	85.3	Confident	86.9	Confident	71 Å²	71	62.3 Å²	62.3	50%	0.497	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	124.2	171.5	-71.6	0	0	0	0	109.7	T439 Q440	T439-S450 WeakPolarHBondContact O-CA 3.18Å; Q440-S450 WeakPolarHBondContact CG-OG 3.18Å; Q440-S450 PolarHBondContact NE2-OG 3.49Å; Q440-S450 VanDerWaalsContact NE2-OG 3.15Å
451	E	86.2	Confident	87.4	Confident	30 Å²	30	63.9 Å²	63.9	14%	0.14	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.6	-173.7	-174.3	175.8	-165.7	0	0	109.8	L438 T439 Y441 A476 S477 P478	L438-E451 WeakPolarHBondContact CA-O 3.45Å; T439-E451 PolarHBondContact N-O 2.93Å; T439-E451 PolarHBondContact O-N 3.33Å; Y441-E451 HydrophobicContact CE1-CB 4.02Å; E451-A476 HydrophobicContact CG-CB 3.48Å; E451-A476 VanDerWaalsContact CG-CB 3.48Å; E451-A476 VanDerWaalsContact OE1-C 3.3Å; E451-A476 VanDerWaalsContact OE1-CB 3.3Å; E451-A476 WeakPolarHBondContact OE1-CB 3.25Å; E451-S477 PolarHBondContact OE1-N 3.37Å; E451-P478 VanDerWaalsContact OE1-N 3.15Å; E451-P478 WeakPolarHBondContact OE2-CB 3.22Å
452	Q	89	Confident	87.9	Confident	94 Å²	94	67.5 Å²	67.5	44%	0.439	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.7	179.4	-179	178.9	-42.9	0	0	110.5	I436 R437 A476	I436-Q452 HydrophobicContact CG2-CG 3.57Å; R437-Q452 WeakPolarHBondContact O-CA 3.29Å; Q452-A476 WeakPolarHBondContact O-CB 3.39Å
453	S	90.7	Very high	88.4	Confident	7 Å²	7	71.9 Å²	71.9	5%	0.049	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	150.1	164.3	59.2	0	0	0	0	110.9	R437 E455	R437-S453 PolarHBondContact N-O 3Å; R437-S453 PolarHBondContact O-N 2.46Å; S453-E455 PolarHBondContact OG-OE1 3.09Å
454	E	93	Very high	88.9	Confident	93 Å²	93	72.9 Å²	72.9	44%	0.435	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	117	170.2	-75.9	164.8	-157.3	0	0	107.1	I436 R473 S474	I436-E454 HydrophobicContact CG1-CG 4.24Å; E454-R473 CarbonylContact O-C 3.57Å; E454-R473 WeakPolarHBondContact O-CA 3.48Å; E454-S474 PolarHBondContact N-O 2.98Å; E454-S474 PolarHBondContact O-N 2.63Å
455	E	95.9	Very high	89.6	Confident	1 Å²	1	71.8 Å²	71.8	1%	0.005	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.6	-173.5	-72.5	-171.9	-163.1	0	0	110.8	Y435 R437 S453 R457 F471 H472 R473	Y435-E455 WeakPolarHBondContact CD1-O 3.35Å; Y435-E455 HydrophobicContact CD2-CB 4.12Å; Y435-E455 HydrophobicContact CE1-CB 4.03Å; Y435-E455 HydrophobicContact CE2-CB 3.47Å; Y435-E455 VanDerWaalsContact CE2-CB 3.47Å; Y435-E455 HydrophobicContact CE2-CG 4.25Å; Y435-E455 VanDerWaalsContact CZ-CB 3.41Å; Y435-E455 PolarHBondContact N-O 3.5Å; Y435-E455 PolarHBondContact O-N 3.49Å; Y435-E455 WeakPolarHBondContact OH-CB 3.33Å; Y435-E455 PolarHBondContact OH-OE2 2.8Å; R437-E455 WeakPolarHBondContact CD-OE1 3.22Å; R437-E455 IonicContact CZ-OE1 2.69Å; R437-E455 IonicContact NE-OE1 2.65Å; R437-E455 IonicContact NH1-OE1 3.99Å; R437-E455 PolarHBondContact NH1-OE1 3.48Å; R437-E455 IonicContact NH1-OE2 3.58Å; S453-E455 PolarHBondContact OG-OE1 3.09Å; E455-R457 IonicContact OE2-CZ 2.71Å; E455-R457 IonicContact OE2-NE 3.76Å; E455-R457 IonicContact OE2-NH2 3.84Å; E455-R457 PolarHBondContact OE2-NH2 2.75Å; E455-F471 HydrophobicContact CB-CE2 4.06Å; E455-F471 HydrophobicContact CG-CE2 3.82Å; E455-F471 HydrophobicContact CG-CZ 4.2Å; E455-H472 CarbonylContact C-O 3.59Å; E455-H472 WeakPolarHBondContact CA-O 3.16Å; E455-R473 HydrophobicContact CG-CB 4.24Å; E455-R473 HydrophobicContact CG-CG 4.21Å
456	T	95.8	Very high	90.3	Very high	46 Å²	46	67.3 Å²	67.3	28%	0.282	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134.1	171.8	-58.8	0	0	0	0	109.8	C432 I433 F471 H472	C432-T456 VanDerWaalsContact SG-CG2 3.53Å; I433-T456 CarbonylContact O-C 3.49Å; I433-T456 VanDerWaalsContact O-CA 3.3Å; I433-T456 WeakPolarHBondContact O-CA 3.44Å; T456-F471 WeakPolarHBondContact O-CA 3.49Å; T456-H472 PolarHBondContact N-O 2.68Å; T456-H472 PolarHBondContact O-N 3.21Å
457	R	97.5	Very high	91.3	Very high	4 Å²	4	59 Å²	59	2%	0.015	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.9	175.1	-64.7	-174.4	-170.5	-72.9	-15.8	111	C432 I433 Y435 E455 H470 F471	C432-R457 WeakPolarHBondContact CA-O 3.47Å; I433-R457 HydrophobicContact CG2-CB 4.01Å; I433-R457 PolarHBondContact N-O 3.15Å; I433-R457 PolarHBondContact O-N 3.27Å; Y435-R457 HydrophobicContact CE1-CG 4.36Å; Y435-R457 PolarHBondContact OH-NE 3.04Å; Y435-R457 PolarHBondContact OH-NH2 3.47Å; E455-R457 IonicContact OE2-CZ 2.71Å; E455-R457 IonicContact OE2-NE 3.76Å; E455-R457 IonicContact OE2-NH2 3.84Å; E455-R457 PolarHBondContact OE2-NH2 2.75Å; R457-H470 WeakPolarHBondContact CA-O 3.31Å; R457-F471 HydrophobicContact CG-CD2 3.93Å; R457-F471 VanDerWaalsContact CZ-CE2 3.46Å
458	V	97.3	Very high	92	Very high	31 Å²	31	55.2 Å²	55.2	19%	0.188	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.8	171.5	-172.1	0	0	0	0	108.5	C468 I469 H470	V458-C468 WeakPolarHBondContact O-CA 3.27Å; V458-I469 HydrophobicContact CB-CG1 4.1Å; V458-I469 HydrophobicContact CG1-CD1 3.95Å; V458-I469 HydrophobicContact CG1-CG1 3.91Å; V458-I469 WeakPolarHBondContact O-CG1 3.48Å; V458-I469 PolarHBondContact O-N 3.07Å; V458-H470 HydrophobicContact CB-CB 4.03Å; V458-H470 HydrophobicContact CG2-CB 4.01Å; V458-H470 PolarHBondContact N-O 2.85Å
459	W	97.9	Very high	92.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133.2	175.6	-67.3	95.4	0	0	0	109.5	I352 L355 T356 L359 M374 A430 A431 W466 V467 C468	I352-W459 HydrophobicContact CD1-CB 4Å; I352-W459 HydrophobicContact CD1-CG 4.19Å; I352-W459 HydrophobicContact CG2-CG 4.47Å; L355-W459 HydrophobicContact CB-CH2 3.98Å; L355-W459 HydrophobicContact CB-CZ2 3.95Å; L355-W459 HydrophobicContact CB-CZ3 4.32Å; T356-W459 PolarHBondContact OG1-NE1 2.84Å; T356-W459 VanDerWaalsContact OG1-NE1 3.11Å; L359-W459 HydrophobicContact CB-CH2 4.25Å; L359-W459 HydrophobicContact CB-CZ2 4.45Å; L359-W459 HydrophobicContact CD1-CH2 3.62Å; L359-W459 HydrophobicContact CD1-CZ2 3.94Å; M374-W459 HydrophobicContact CE-CH2 4.07Å; A430-W459 WeakPolarHBondContact CA-O 3.44Å; A431-W459 PolarHBondContact N-O 3.27Å; A431-W459 PolarHBondContact O-N 3.08Å; A431-W459 VanDerWaalsContact O-O 3.12Å; W459-W466 HydrophobicContact CB-CE3 3.84Å; W459-W466 HydrophobicContact CB-CZ3 4.19Å; W459-W466 HydrophobicContact CE3-CB 4.16Å; W459-V467 WeakPolarHBondContact CA-O 3.43Å; W459-V467 VanDerWaalsContact CE3-C 3.49Å; W459-C468 HydrophobicContact CE3-CB 4.22Å; W459-C468 HydrophobicContact CH2-CB 4.24Å; W459-C468 HydrophobicContact CZ3-CB 4.07Å
460	C	96.2	Very high	93	Very high	19 Å²	19	52.6 Å²	52.6	13%	0.128	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144.4	174.7	-177.5	0	0	0	0	109.4	D429 V467 I469	D429-C460 CarbonylContact O-C 3.59Å; D429-C460 VanDerWaalsContact O-CA 3.31Å; D429-C460 WeakPolarHBondContact O-CA 3.5Å; C460-V467 PolarHBondContact N-O 3.07Å; C460-V467 WeakPolarHBondContact O-CG2 3.49Å; C460-V467 PolarHBondContact O-N 2.99Å; C460-I469 HydrophobicContact CB-CB 4.45Å; C460-I469 HydrophobicContact CB-CD1 3.7Å; C460-I469 HydrophobicContact CB-CG1 3.89Å; C460-I469 HydrophobicContact CB-CG2 3.71Å
461	R	94	Very high	93.4	Very high	107 Å²	107	49.3 Å²	49.3	40%	0.404	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120.1	178.1	-152.9	-177	-167.3	168.2	3.1	109.7	D429 G464 R465 W466	D429-R461 HydrophobicContact CB-CB 3.81Å; D429-R461 PolarHBondContact O-N 3.18Å; D429-R461 WeakPolarHBondContact OD1-CB 3.29Å; D429-R461 WeakPolarHBondContact OD1-CD 3.46Å; R461-G464 PolarHBondContact NE-O 3.22Å; R461-G464 PolarHBondContact NH2-O 3.27Å; R461-R465 CarbonylContact C-O 3.53Å; R461-R465 VanDerWaalsContact CA-O 3.31Å; R461-R465 WeakPolarHBondContact CA-O 3.35Å; R461-W466 HydrophobicContact CB-CD2 4.45Å; R461-W466 HydrophobicContact CB-CE3 4.17Å; R461-W466 HydrophobicContact CB-CZ3 4.28Å
462	R	89.2	Confident	93.8	Very high	126 Å²	126	50.9 Å²	50.9	48%	0.475	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.7	175.5	-59.7	-61.3	-157.1	-171.9	4.9	107.7	D376 G464 R465 V467	D376-R462 IonicContact OD2-NE 2.86Å; R462-G464 PolarHBondContact O-N 3.38Å; R462-R465 PolarHBondContact N-O 3.23Å; R462-R465 WeakPolarHBondContact O-CG 3.43Å; R462-R465 PolarHBondContact O-N 3.25Å; R462-V467 HydrophobicContact CB-CG2 4.12Å; R462-V467 HydrophobicContact CG-CG2 3.55Å
463	E	87.4	Confident	94	Very high	171 Å²	171	47.5 Å²	47.5	80%	0.799	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	28.9	176.8	-49.4	173.7	126.6	0	0	113.7	R465	E463-R465 VanDerWaalsContact C-N 3.32Å; E463-R465 PolarHBondContact O-N 3.35Å; E463-R465 IonicContact OE2-CZ 2.7Å; E463-R465 IonicContact OE2-NE 2.76Å; E463-R465 PolarHBondContact OE2-NE 2.93Å; E463-R465 IonicContact OE2-NH2 3.11Å; E463-R465 PolarHBondContact OE2-NH2 3.43Å
464	G	86.8	Confident	93.8	Very high	51 Å²	51	49.3 Å²	49.3	53%	0.526	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	-9.6	-176.6	0	0	0	0	0	116.3	R461 R462	R461-G464 PolarHBondContact NE-O 3.22Å; R461-G464 PolarHBondContact NH2-O 3.27Å; R462-G464 PolarHBondContact O-N 3.38Å
465	R	91.9	Very high	92.7	Very high	126 Å²	126	48.8 Å²	48.8	48%	0.475	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	145.1	174	53.5	171.5	169.1	141.3	-0.9	111.7	R461 R462 E463	R461-R465 CarbonylContact C-O 3.53Å; R461-R465 VanDerWaalsContact CA-O 3.31Å; R461-R465 WeakPolarHBondContact CA-O 3.35Å; R462-R465 PolarHBondContact N-O 3.23Å; R462-R465 WeakPolarHBondContact O-CG 3.43Å; R462-R465 PolarHBondContact O-N 3.25Å; E463-R465 VanDerWaalsContact C-N 3.32Å; E463-R465 PolarHBondContact O-N 3.35Å; E463-R465 IonicContact OE2-CZ 2.7Å; E463-R465 IonicContact OE2-NE 2.76Å; E463-R465 PolarHBondContact OE2-NE 2.93Å; E463-R465 IonicContact OE2-NH2 3.11Å; E463-R465 PolarHBondContact OE2-NH2 3.43Å
466	W	95.5	Very high	91	Very high	25 Å²	25	50.2 Å²	50.2	10%	0.095	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	135.2	168.1	-72.5	111.2	0	0	0	110.7	E351 I352 L355 A431 W459 R461	E351-W466 VanDerWaalsContact CD-NE1 3.29Å; E351-W466 PolarHBondContact OE2-NE1 3.41Å; I352-W466 HydrophobicContact CD1-CD2 4.07Å; I352-W466 HydrophobicContact CD1-CE3 4.22Å; I352-W466 HydrophobicContact CD1-CH2 4.24Å; I352-W466 HydrophobicContact CD1-CZ2 4.06Å; I352-W466 HydrophobicContact CD1-CZ3 4.31Å; L355-W466 HydrophobicContact CD1-CB 3.61Å; L355-W466 HydrophobicContact CD1-CG 3.62Å; A431-W466 HydrophobicContact CB-CH2 4.34Å; A431-W466 HydrophobicContact CB-CZ3 4.49Å; W459-W466 HydrophobicContact CB-CE3 3.84Å; W459-W466 HydrophobicContact CB-CZ3 4.19Å; W459-W466 HydrophobicContact CE3-CB 4.16Å; R461-W466 HydrophobicContact CB-CD2 4.45Å; R461-W466 HydrophobicContact CB-CE3 4.17Å; R461-W466 HydrophobicContact CB-CZ3 4.28Å
467	V	96.7	Very high	89	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	145.1	170.7	-67.7	0	0	0	0	110.8	M374 D376 W459 C460 R462 I469	M374-V467 CarbonylContact O-C 3.47Å; M374-V467 WeakPolarHBondContact O-CA 3.43Å; D376-V467 HydrophobicContact CB-CG2 4.34Å; W459-V467 WeakPolarHBondContact CA-O 3.43Å; W459-V467 VanDerWaalsContact CE3-C 3.49Å; C460-V467 PolarHBondContact N-O 3.07Å; C460-V467 WeakPolarHBondContact O-CG2 3.49Å; C460-V467 PolarHBondContact O-N 2.99Å; R462-V467 HydrophobicContact CB-CG2 4.12Å; R462-V467 HydrophobicContact CG-CG2 3.55Å; V467-I469 HydrophobicContact CG2-CG2 4.24Å; V467-I469 PolarHBondContact O-N 3.25Å
468	C	96.6	Very high	87	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	116.5	173.3	-173.2	0	0	0	0	108.9	L359 M374 D376 M379 V458 W459	L359-C468 HydrophobicContact CD1-CB 4.07Å; M374-C468 PolarHBondContact O-N 3.45Å; D376-C468 PolarHBondContact N-O 3.02Å; M379-C468 WeakPolarHBondContact CG-O 3.34Å; M379-C468 HydrophobicContact SD-CB 3.94Å; M379-C468 VanDerWaalsContact SD-O 3.41Å; V458-C468 WeakPolarHBondContact O-CA 3.27Å; W459-C468 HydrophobicContact CE3-CB 4.22Å; W459-C468 HydrophobicContact CH2-CB 4.24Å; W459-C468 HydrophobicContact CZ3-CB 4.07Å
469	I	96.2	Very high	85	Confident	48 Å²	48	50.9 Å²	50.9	25%	0.246	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-21.8	-178.8	56.8	159.2	0	0	0	113.2	D376 M379 T380 V458 C460 V467	D376-I469 HydrophobicContact CB-CG2 3.92Å; M379-I469 WeakPolarHBondContact CA-O 3.2Å; T380-I469 PolarHBondContact N-O 3.38Å; T380-I469 PolarHBondContact OG1-O 2.96Å; V458-I469 HydrophobicContact CB-CG1 4.1Å; V458-I469 HydrophobicContact CG1-CD1 3.95Å; V458-I469 HydrophobicContact CG1-CG1 3.91Å; V458-I469 WeakPolarHBondContact O-CG1 3.48Å; V458-I469 PolarHBondContact O-N 3.07Å; C460-I469 HydrophobicContact CB-CB 4.45Å; C460-I469 HydrophobicContact CB-CD1 3.7Å; C460-I469 HydrophobicContact CB-CG1 3.89Å; C460-I469 HydrophobicContact CB-CG2 3.71Å; V467-I469 HydrophobicContact CG2-CG2 4.24Å; V467-I469 PolarHBondContact O-N 3.25Å
470	H	94.7	Very high	82.8	Confident	52 Å²	52	59.5 Å²	59.5	24%	0.241	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	141.6	174.4	-178.4	71.7	0	0	0	111.4	T380 R457 V458	T380-H470 CarbonylContact O-C 3.59Å; T380-H470 VanDerWaalsContact O-CA 3.29Å; T380-H470 WeakPolarHBondContact O-CA 3.35Å; T380-H470 PolarHBondContact O-ND1 3.44Å; T380-H470 PolarHBondContact OG1-ND1 3.4Å; R457-H470 WeakPolarHBondContact CA-O 3.31Å; V458-H470 HydrophobicContact CB-CB 4.03Å; V458-H470 HydrophobicContact CG2-CB 4.01Å; V458-H470 PolarHBondContact N-O 2.85Å
471	F	94.1	Very high	80.2	Confident	3 Å²	3	66.2 Å²	66.2	1%	0.013	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	125.4	177.2	169.6	-134.2	0	0	0	111.9	T380 C381 F382 E383 H397 E455 T456 R457 R473	T380-F471 PolarHBondContact O-N 3.41Å; C381-F471 CarbonylContact C-O 3.59Å; C381-F471 WeakPolarHBondContact CA-O 3.25Å; C381-F471 HydrophobicContact CB-CB 4.21Å; C381-F471 HydrophobicContact CB-CD1 4.08Å; C381-F471 WeakPolarHBondContact CB-O 3.48Å; F382-F471 PolarHBondContact N-O 3.15Å; E383-F471 WeakPolarHBondContact OE2-CE1 3.28Å; H397-F471 AromaticContact NE2-CD1 3.92Å; E455-F471 HydrophobicContact CB-CE2 4.06Å; E455-F471 HydrophobicContact CG-CE2 3.82Å; E455-F471 HydrophobicContact CG-CZ 4.2Å; T456-F471 WeakPolarHBondContact O-CA 3.49Å; R457-F471 HydrophobicContact CG-CD2 3.93Å; R457-F471 VanDerWaalsContact CZ-CE2 3.46Å; F471-R473 HydrophobicContact CE1-CB 4.45Å; F471-R473 HydrophobicContact CE2-CB 4.14Å; F471-R473 HydrophobicContact CZ-CB 3.76Å; F471-R473 VanDerWaalsContact CZ-NH1 3.32Å
472	H	93.3	Very high	77.5	Confident	63 Å²	63	63.4 Å²	63.4	29%	0.292	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.1	172.5	-167.1	166.8	0	0	0	109.3	F382 E455 T456	F382-H472 AromaticContact CD1-CD2 3.69Å; F382-H472 AromaticContact CD1-NE2 3.42Å; F382-H472 WeakPolarHBondContact CD1-NE2 3.4Å; F382-H472 AromaticContact CE1-NE2 3.98Å; F382-H472 CarbonylContact O-C 3.59Å; F382-H472 VanDerWaalsContact O-CA 3.27Å; F382-H472 WeakPolarHBondContact O-CA 3.36Å; F382-H472 PolarHBondContact O-CD2 3.29Å; E455-H472 CarbonylContact C-O 3.59Å; E455-H472 WeakPolarHBondContact CA-O 3.16Å; T456-H472 PolarHBondContact N-O 2.68Å; T456-H472 PolarHBondContact O-N 3.21Å
473	R	93.4	Very high	74.7	Confident	23 Å²	23	67.1 Å²	67.1	9%	0.087	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.2	164.7	176.7	162.1	67.6	-102.8	3.3	110.1	F382 E383 P384 E385 E454 E455 F471	F382-R473 PolarHBondContact O-N 3.3Å; E383-R473 HydrophobicContact CB-CB 3.9Å; E383-R473 IonicContact OE2-CZ 3.93Å; E383-R473 IonicContact OE2-NH1 3.82Å; E383-R473 PolarHBondContact OE2-NH1 3.31Å; E383-R473 IonicContact OE2-NH2 3.84Å; E383-R473 PolarHBondContact OE2-NH2 3.3Å; P384-R473 WeakPolarHBondContact CD-O 3.26Å; P384-R473 HydrophobicContact CG-CG 4.38Å; E385-R473 IonicContact OE1-CZ 3.4Å; E385-R473 IonicContact OE1-NH2 2.74Å; E385-R473 PolarHBondContact OE1-NH2 2.95Å; E385-R473 IonicContact OE2-CZ 2.86Å; E385-R473 IonicContact OE2-NE 2.6Å; E385-R473 IonicContact OE2-NH2 3.41Å; E385-R473 PolarHBondContact OE2-NH2 2.78Å; E454-R473 CarbonylContact O-C 3.57Å; E454-R473 WeakPolarHBondContact O-CA 3.48Å; E455-R473 HydrophobicContact CG-CB 4.24Å; E455-R473 HydrophobicContact CG-CG 4.21Å; F471-R473 HydrophobicContact CE1-CB 4.45Å; F471-R473 HydrophobicContact CE2-CB 4.14Å; F471-R473 HydrophobicContact CZ-CB 3.76Å; F471-R473 VanDerWaalsContact CZ-NH1 3.32Å
474	S	86.6	Confident	74.1	Confident	45 Å²	45	61.9 Å²	61.9	32%	0.315	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	149	168.9	-83.7	0	0	0	0	110.6	E454	E454-S474 PolarHBondContact N-O 2.98Å; E454-S474 PolarHBondContact O-N 2.63Å
475	C	69.5	Low	73.4	Confident	81 Å²	81	62.5 Å²	62.5	55%	0.547	33%	0.329	S	S	.	.	S	Bend	trans	59.2	171.4	-173.1	-64	0	0	0	0	114.2	P384	P384-C475 WeakPolarHBondContact CG-O 3.26Å
476	A	59.9	Low	72.4	Confident	32 Å²	32	58.9 Å²	58.9	26%	0.264	32%	0.321	S	S	.	.			trans	26	119.3	169	0	0	0	0	0	119.3	E451 Q452	E451-A476 HydrophobicContact CG-CB 3.48Å; E451-A476 VanDerWaalsContact CG-CB 3.48Å; E451-A476 VanDerWaalsContact OE1-C 3.3Å; E451-A476 VanDerWaalsContact OE1-CB 3.3Å; E451-A476 WeakPolarHBondContact OE1-CB 3.25Å; Q452-A476 WeakPolarHBondContact O-CB 3.39Å
477	S	55.1	Low	71.1	Confident	10 Å²	10	60.9 Å²	60.9	7%	0.07	33%	0.334	C	S	.	.			trans	-119.2	120.7	173.6	164.3	0	0	0	0	109.3	E385 E451 Y479 R480	E385-S477 VanDerWaalsContact CD-OG 3.24Å; E385-S477 WeakPolarHBondContact OE1-CB 3.46Å; E385-S477 PolarHBondContact OE1-OG 2.99Å; E451-S477 PolarHBondContact OE1-N 3.37Å; S477-Y479 PolarHBondContact O-N 3.23Å; S477-Y479 PolarHBondContact OG-N 2.94Å; S477-Y479 VanDerWaalsContact OG-N 3.16Å; S477-R480 PolarHBondContact O-N 3.1Å
478	P	54.1	Low	69.5	Low	45 Å²	45	64.6 Å²	64.6	29%	0.292	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-4.6	173.6	23.3	-29.6	0	0	0	113	L408 E451	L408-P478 HydrophobicContact CD2-CB 4.34Å; E451-P478 VanDerWaalsContact OE1-N 3.15Å; E451-P478 WeakPolarHBondContact OE2-CB 3.22Å
479	Y	55.8	Low	67.6	Low	40 Å²	40	68.9 Å²	68.9	16%	0.157	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-7.1	-178.3	-58.4	-90.2	0	0	0	112.9	E385 Y400 F407 S477 E481 A482	E385-Y479 HydrophobicContact CG-CD2 4.46Å; E385-Y479 VanDerWaalsContact OE1-CD2 3.3Å; E385-Y479 WeakPolarHBondContact OE1-CD2 3.26Å; Y400-Y479 AromaticContact CD1-CD1 3.36Å; Y400-Y479 HydrophobicContact CD1-CD1 3.36Å; Y400-Y479 AromaticContact CD1-CE1 3.41Å; Y400-Y479 HydrophobicContact CD1-CE1 3.41Å; Y400-Y479 VanDerWaalsContact CD1-CE1 3.41Å; Y400-Y479 HydrophobicContact CD1-CG 4.05Å; Y400-Y479 AromaticContact CE1-CD1 3.65Å; Y400-Y479 HydrophobicContact CE1-CD1 3.65Å; Y400-Y479 HydrophobicContact CE1-CE1 4.18Å; Y400-Y479 AromaticContact CE1-CG 3.99Å; Y400-Y479 HydrophobicContact CE1-CG 3.99Å; Y400-Y479 HydrophobicContact CG-CD1 4.41Å; Y400-Y479 HydrophobicContact CG-CE1 4.11Å; F407-Y479 HydrophobicContact CB-CD1 3.31Å; F407-Y479 HydrophobicContact CB-CE1 3.5Å; F407-Y479 VanDerWaalsContact CB-CE1 3.5Å; F407-Y479 HydrophobicContact CB-CG 4.45Å; F407-Y479 AromaticContact CD1-CD1 3.88Å; F407-Y479 HydrophobicContact CD1-CD1 3.88Å; F407-Y479 AromaticContact CD2-CD1 3.79Å; F407-Y479 HydrophobicContact CD2-CD1 3.79Å; F407-Y479 AromaticContact CD2-CE1 3.9Å; F407-Y479 HydrophobicContact CD2-CE1 3.9Å; F407-Y479 AromaticContact CG-CD1 3.41Å; F407-Y479 HydrophobicContact CG-CD1 3.41Å; F407-Y479 VanDerWaalsContact CG-CD1 3.41Å; F407-Y479 AromaticContact CG-CE1 3.83Å; F407-Y479 HydrophobicContact CG-CE1 3.83Å; S477-Y479 PolarHBondContact O-N 3.23Å; S477-Y479 PolarHBondContact OG-N 2.94Å; S477-Y479 VanDerWaalsContact OG-N 3.16Å; Y479-E481 VanDerWaalsContact C-N 3.28Å; Y479-E481 PolarHBondContact O-N 3.37Å; Y479-E481 VanDerWaalsContact O-N 3.15Å; Y479-A482 PolarHBondContact O-N 3.03Å
480	R	50.9	Low	65.6	Low	181 Å²	181	70.4 Å²	70.4	68%	0.683	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-2.1	-170.8	-95.7	178.6	-178.3	-165.4	-1.4	117.4	S477	S477-R480 PolarHBondContact O-N 3.1Å
481	E	41.7	Very low	63.4	Low	159 Å²	159	71.8 Å²	71.8	74%	0.743	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	9.9	172.5	-71.5	-161.4	162.3	0	0	113.9	K444 Y479	K444-E481 IonicContact NZ-OE1 3.51Å; K444-E481 IonicContact NZ-OE2 2.68Å; K444-E481 PolarHBondContact NZ-OE2 3.09Å; Y479-E481 VanDerWaalsContact C-N 3.28Å; Y479-E481 PolarHBondContact O-N 3.37Å; Y479-E481 VanDerWaalsContact O-N 3.15Å
482	A	38.1	Very low	60.8	Low	49 Å²	49	77.6 Å²	77.6	41%	0.405	43%	0.431	S	S	.	.			trans	-70.9	136.6	169.3	0	0	0	0	0	111.1	F407 Y479	F407-A482 HydrophobicContact CD1-CB 3.96Å; F407-A482 HydrophobicContact CE1-CB 3.72Å; Y479-A482 PolarHBondContact O-N 3.03Å
483	P	31	Very low	57.8	Low	203 Å²	203	78.9 Å²	78.9	100%	1.318	44%	0.444	S	S	*	.			trans	-78.9	0	178.4	34.4	-36.5	0	0	0	113.7

Retrieved 483 of 483 residues in 416.9 ms (Link to these results)

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