A0A3Q0KDJ7_SCHMA Loading...

DUF4806 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KDJ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 312 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.6	Very low	35.3	Very low	196 Å²	196	97.1 Å²	97.1	97%	0.966	51%	0.511	S	S	*	.				0	116	0	-132	176.5	-169.7	0	0	106.8
2	S	31.3	Very low	35.7	Very low	62 Å²	62	100.3 Å²	100.3	43%	0.434	51%	0.511	S	S	.	.			trans	-68.3	144.3	-171.7	67.8	0	0	0	0	112	S4 K5	S2-S4 PolarHBondContact O-N 3.4Å; S2-S4 VanDerWaalsContact O-N 3.1Å; S2-S4 PolarHBondContact OG-OG 3.36Å; S2-K5 PolarHBondContact O-N 3.46Å
3	L	31.6	Very low	36.2	Very low	162 Å²	162	99 Å²	99	85%	0.848	50%	0.496	S	S	*	.	H	α-helix	trans	-48.6	-34.1	177.3	-79.9	152.4	0	0	0	113.1	S7	L3-S7 WeakPolarHBondContact O-CB 3.17Å; L3-S7 PolarHBondContact O-N 3.38Å
4	S	36.2	Very low	37.5	Very low	75 Å²	75	95.9 Å²	95.9	52%	0.524	48%	0.476	S	S	.	.	H	α-helix	trans	-59.8	-47.6	176.9	53.9	0	0	0	0	113	S2 V6 S7 E8	S2-S4 PolarHBondContact O-N 3.4Å; S2-S4 VanDerWaalsContact O-N 3.1Å; S2-S4 PolarHBondContact OG-OG 3.36Å; S4-V6 PolarHBondContact O-N 3.44Å; S4-S7 PolarHBondContact O-N 2.94Å; S4-E8 VanDerWaalsContact O-CB 3.27Å; S4-E8 WeakPolarHBondContact O-CB 3.48Å; S4-E8 PolarHBondContact O-N 3.01Å
5	K	28.9	Very low	38.4	Very low	132 Å²	132	90 Å²	90	57%	0.574	45%	0.448	S	S	*	.	H	α-helix	trans	-69.6	-30.1	-174.4	-74	-175.4	176.6	179.7	0	114	S2 R9	S2-K5 PolarHBondContact O-N 3.46Å; K5-R9 PolarHBondContact O-N 2.8Å
6	V	34.6	Very low	39.1	Very low	66 Å²	66	88.3 Å²	88.3	40%	0.4	44%	0.444	S	S	.	.	H	α-helix	trans	-78.5	-41.4	177.8	178.8	0	0	0	0	110.6	S4 A10 L37	S4-V6 PolarHBondContact O-N 3.44Å; V6-A10 WeakPolarHBondContact O-CB 3.22Å; V6-A10 PolarHBondContact O-N 3.46Å; V6-A10 VanDerWaalsContact O-N 3.14Å; V6-L37 HydrophobicContact CG1-CD2 4.11Å
7	S	43.3	Very low	40.1	Very low	74 Å²	74	85.8 Å²	85.8	52%	0.517	43%	0.434	S	S	.	.	H	α-helix	trans	-57.8	-49.7	172.6	177.1	0	0	0	0	111.2	L3 S4 R9 A10 F11	L3-S7 WeakPolarHBondContact O-CB 3.17Å; L3-S7 PolarHBondContact O-N 3.38Å; S4-S7 PolarHBondContact O-N 2.94Å; S7-R9 PolarHBondContact O-N 3.26Å; S7-A10 PolarHBondContact O-N 3.42Å; S7-A10 VanDerWaalsContact O-N 3.14Å; S7-F11 PolarHBondContact O-N 3.12Å
8	E	36	Very low	41.2	Very low	89 Å²	89	83 Å²	83	42%	0.416	42%	0.421	S	S	.	.	H	α-helix	trans	-62.5	-42.1	-177.9	-159.4	-166.6	144.8	0	0	112.5	S4 A10 F11 R12	S4-E8 VanDerWaalsContact O-CB 3.27Å; S4-E8 WeakPolarHBondContact O-CB 3.48Å; S4-E8 PolarHBondContact O-N 3.01Å; E8-A10 VanDerWaalsContact C-N 3.34Å; E8-A10 PolarHBondContact O-N 2.66Å; E8-F11 PolarHBondContact O-N 3.48Å; E8-R12 WeakPolarHBondContact O-CG 3.45Å; E8-R12 PolarHBondContact O-N 3.42Å; E8-R12 IonicContact OE1-CZ 3.87Å; E8-R12 IonicContact OE1-NH2 3.89Å; E8-R12 PolarHBondContact OE1-NH2 2.76Å
9	R	33	Very low	41.9	Very low	152 Å²	152	78.7 Å²	78.7	57%	0.574	40%	0.399	S	S	*	.	H	α-helix	trans	-70.5	-26	176.2	-80.3	-176.6	177.6	-176.5	-1	114	K5 S7 R13	K5-R9 PolarHBondContact O-N 2.8Å; S7-R9 PolarHBondContact O-N 3.26Å; R9-R13 WeakPolarHBondContact O-CG 3.19Å
10	A	40.7	Very low	42.6	Very low	28 Å²	28	76.2 Å²	76.2	23%	0.231	39%	0.389	C	S	.	.	H	α-helix	trans	-78.4	-28	175.3	0	0	0	0	0	111.7	V6 S7 E8 L37	V6-A10 WeakPolarHBondContact O-CB 3.22Å; V6-A10 PolarHBondContact O-N 3.46Å; V6-A10 VanDerWaalsContact O-N 3.14Å; S7-A10 PolarHBondContact O-N 3.42Å; S7-A10 VanDerWaalsContact O-N 3.14Å; E8-A10 VanDerWaalsContact C-N 3.34Å; E8-A10 PolarHBondContact O-N 2.66Å; A10-L37 HydrophobicContact CB-CD1 4.29Å
11	F	40.8	Very low	43.3	Very low	32 Å²	32	80.3 Å²	80.3	14%	0.14	40%	0.4	C	S	.	.	H	α-helix	trans	-70.9	-45	176.7	-128.2	-84.5	0	0	0	112.9	S7 E8 R13 I132 Y133 H148	S7-F11 PolarHBondContact O-N 3.12Å; E8-F11 PolarHBondContact O-N 3.48Å; F11-R13 PolarHBondContact O-N 3.36Å; F11-I132 WeakPolarHBondContact CE2-O 3.28Å; F11-I132 VanDerWaalsContact CZ-O 3.31Å; F11-I132 WeakPolarHBondContact CZ-O 3.5Å; F11-Y133 HydrophobicContact CD1-CE1 4.31Å; F11-Y133 HydrophobicContact CE1-CD1 4.24Å; F11-Y133 AromaticContact CE1-CE1 3.37Å; F11-Y133 HydrophobicContact CE1-CE1 3.37Å; F11-Y133 HydrophobicContact CE1-CE2 4.32Å; F11-Y133 AromaticContact CE1-CZ 3.46Å; F11-Y133 VanDerWaalsContact CE1-CZ 3.46Å; F11-Y133 WeakPolarHBondContact CE1-OH 3.36Å; F11-Y133 HydrophobicContact CE2-CD1 4.06Å; F11-Y133 AromaticContact CE2-CE1 3.92Å; F11-Y133 HydrophobicContact CE2-CE1 3.92Å; F11-Y133 AromaticContact CZ-CD1 3.53Å; F11-Y133 HydrophobicContact CZ-CD1 3.53Å; F11-Y133 HydrophobicContact CZ-CD2 4.49Å; F11-Y133 AromaticContact CZ-CE1 3.12Å; F11-Y133 HydrophobicContact CZ-CE1 3.12Å; F11-Y133 HydrophobicContact CZ-CE2 4.18Å; F11-Y133 HydrophobicContact CZ-CG 4.22Å; F11-Y133 AromaticContact CZ-CZ 3.53Å; F11-H148 AromaticContact CD1-ND1 3.78Å
12	R	40.7	Very low	44.4	Very low	135 Å²	135	73.8 Å²	73.8	51%	0.509	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.7	-6.9	175.2	-78.2	179.3	-166.2	-149.9	3.9	117.9	E8 H148	E8-R12 WeakPolarHBondContact O-CG 3.45Å; E8-R12 PolarHBondContact O-N 3.42Å; E8-R12 IonicContact OE1-CZ 3.87Å; E8-R12 IonicContact OE1-NH2 3.89Å; E8-R12 PolarHBondContact OE1-NH2 2.76Å; R12-H148 WeakPolarHBondContact CA-CE1 3.32Å; R12-H148 WeakPolarHBondContact CA-NE2 3.5Å; R12-H148 WeakPolarHBondContact CG-NE2 3.28Å; R12-H148 PolarHBondContact N-CE1 3.21Å
13	R	41.6	Very low	45.4	Very low	84 Å²	84	72.5 Å²	72.5	32%	0.317	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-2.2	-155.8	-66.8	-157.9	166.1	-154.2	-3.9	114.1	R9 F11 V17 Y30	R9-R13 WeakPolarHBondContact O-CG 3.19Å; F11-R13 PolarHBondContact O-N 3.36Å; R13-V17 WeakPolarHBondContact O-CB 3.04Å; R13-V17 WeakPolarHBondContact O-CG2 3.45Å; R13-Y30 HydrophobicContact CB-CD1 3.86Å; R13-Y30 HydrophobicContact CB-CE1 3.18Å; R13-Y30 VanDerWaalsContact CD-OH 3.32Å; R13-Y30 WeakPolarHBondContact CD-OH 3.36Å; R13-Y30 HydrophobicContact CG-CD1 4.14Å; R13-Y30 HydrophobicContact CG-CE1 3.13Å; R13-Y30 VanDerWaalsContact CG-CZ 3.46Å; R13-Y30 WeakPolarHBondContact CG-OH 3.34Å; R13-Y30 VanDerWaalsContact CZ-CZ 3.46Å; R13-Y30 VanDerWaalsContact NE-CZ 3.25Å; R13-Y30 PolarHBondContact NE-OH 3.18Å
14	R	54.5	Low	46.3	Very low	56 Å²	56	66.3 Å²	66.3	21%	0.211	33%	0.334	C	S	.	.	S	Bend	trans	-115.8	-47.3	-154	-132.9	-179.6	-168.3	176.4	8	114.6	V17 N18	R14-V17 PolarHBondContact O-N 3.33Å; R14-N18 PolarHBondContact O-N 3.01Å
15	A	51.4	Low	46.8	Very low	7 Å²	7	63.3 Å²	63.3	6%	0.058	31%	0.313	C	S	.	.	H	α-helix	trans	-62.3	-52.3	-177.2	0	0	0	0	0	111.2	V17 N18 L19 I130 E152	A15-V17 VanDerWaalsContact C-N 3.26Å; A15-V17 PolarHBondContact O-N 3.37Å; A15-N18 PolarHBondContact O-N 2.95Å; A15-L19 PolarHBondContact O-N 2.65Å; A15-I130 HydrophobicContact CB-CG2 3.68Å; A15-E152 VanDerWaalsContact CB-OE2 3.26Å; A15-E152 WeakPolarHBondContact CB-OE2 3.2Å
16	T	49.6	Very low	47.3	Very low	63 Å²	63	63.7 Å²	63.7	39%	0.387	32%	0.317	S	S	.	.	H	α-helix	trans	-59.8	-37.1	177.3	-10.9	0	0	0	0	111.6	S20 L161	T16-S20 WeakPolarHBondContact O-CB 3.43Å; T16-S20 PolarHBondContact O-N 3.01Å; T16-S20 PolarHBondContact O-OG 2.73Å; T16-L161 HydrophobicContact CG2-CD2 3.55Å
17	V	56.5	Low	47.7	Very low	45 Å²	45	70.8 Å²	70.8	27%	0.273	34%	0.336	S	S	.	.	H	α-helix	trans	-71.6	-42.8	-179.8	171.1	0	0	0	0	111.9	R13 R14 A15 S20 R21 Y30	R13-V17 WeakPolarHBondContact O-CB 3.04Å; R13-V17 WeakPolarHBondContact O-CG2 3.45Å; R14-V17 PolarHBondContact O-N 3.33Å; A15-V17 VanDerWaalsContact C-N 3.26Å; A15-V17 PolarHBondContact O-N 3.37Å; V17-S20 PolarHBondContact O-N 3.25Å; V17-R21 WeakPolarHBondContact O-CB 3.46Å; V17-R21 PolarHBondContact O-N 3.49Å; V17-Y30 HydrophobicContact CG2-CD1 4.06Å
18	N	59.9	Low	47.7	Very low	36 Å²	36	71.3 Å²	71.3	19%	0.193	34%	0.34	C	S	.	.	H	α-helix	trans	-67.6	-43.2	178.4	-74.1	-18.2	0	0	0	111	R14 A15 R21 V22 F128 M129	R14-N18 PolarHBondContact O-N 3.01Å; A15-N18 PolarHBondContact O-N 2.95Å; N18-R21 PolarHBondContact O-N 3.12Å; N18-V22 WeakPolarHBondContact O-CG2 3.3Å; N18-V22 PolarHBondContact O-N 3.16Å; N18-F128 HydrophobicContact CB-CB 4.43Å; N18-F128 HydrophobicContact CB-CD2 4.18Å; N18-M129 PolarHBondContact ND2-O 2.78Å
19	L	53.8	Low	47.8	Very low	1 Å²	1	73.5 Å²	73.5	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-64.8	-44.3	173.7	-114.4	114.2	0	0	0	112.6	A15 R21 V22 L23 I119 F128 M156 L161 I172	A15-L19 PolarHBondContact O-N 2.65Å; L19-R21 PolarHBondContact O-N 3.04Å; L19-V22 PolarHBondContact O-N 2.91Å; L19-L23 HydrophobicContact CD2-CD1 4.15Å; L19-L23 WeakPolarHBondContact O-CB 3.4Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 2.83Å; L19-I119 HydrophobicContact CD2-CD1 4Å; L19-I119 HydrophobicContact CG-CD1 4.49Å; L19-F128 HydrophobicContact CD1-CE2 3.41Å; L19-F128 VanDerWaalsContact CD1-CE2 3.41Å; L19-F128 HydrophobicContact CD1-CZ 3.49Å; L19-F128 VanDerWaalsContact CD1-CZ 3.49Å; L19-F128 HydrophobicContact CG-CE2 4.1Å; L19-F128 HydrophobicContact CG-CZ 3.84Å; L19-M156 HydrophobicContact CD1-CE 4.25Å; L19-M156 HydrophobicContact CD1-SD 3.84Å; L19-M156 HydrophobicContact CD2-SD 3.69Å; L19-M156 HydrophobicContact CG-SD 4.32Å; L19-L161 HydrophobicContact CB-CD1 3.68Å; L19-L161 HydrophobicContact CD2-CD1 3.46Å; L19-L161 VanDerWaalsContact CD2-CD1 3.46Å; L19-L161 HydrophobicContact CG-CD1 4.2Å; L19-I172 HydrophobicContact CD2-CD1 3.24Å
20	S	56.2	Low	47.9	Very low	29 Å²	29	70.7 Å²	70.7	20%	0.203	35%	0.349	C	S	.	.	H	α-helix	trans	-58.2	-38	175.6	-62.4	0	0	0	0	111.4	T16 V17 L23 G24 C25	T16-S20 WeakPolarHBondContact O-CB 3.43Å; T16-S20 PolarHBondContact O-N 3.01Å; T16-S20 PolarHBondContact O-OG 2.73Å; V17-S20 PolarHBondContact O-N 3.25Å; S20-L23 CarbonylContact O-C 3.22Å; S20-L23 PolarHBondContact O-N 3.37Å; S20-G24 PolarHBondContact O-N 3.43Å; S20-C25 WeakPolarHBondContact O-CA 3.4Å; S20-C25 WeakPolarHBondContact O-CB 3.35Å; S20-C25 PolarHBondContact O-N 3.37Å
21	R	58.3	Low	47.8	Very low	163 Å²	163	73.4 Å²	73.4	62%	0.615	36%	0.36	S	S	*	.	H	α-helix	trans	-67.5	-45.7	177.1	-175.6	178.4	177.1	169.8	-2.3	111.8	V17 N18 L19 L23 G24	V17-R21 WeakPolarHBondContact O-CB 3.46Å; V17-R21 PolarHBondContact O-N 3.49Å; N18-R21 PolarHBondContact O-N 3.12Å; L19-R21 PolarHBondContact O-N 3.04Å; R21-L23 VanDerWaalsContact C-N 3.28Å; R21-L23 PolarHBondContact O-N 2.76Å; R21-G24 PolarHBondContact O-N 2.75Å
22	V	52.9	Low	47.8	Very low	59 Å²	59	82.7 Å²	82.7	36%	0.358	39%	0.394	S	S	.	.	H	α-helix	trans	-60.4	-40	175.6	170.5	0	0	0	0	110.9	N18 L19 G24 I119 S125 F128	N18-V22 WeakPolarHBondContact O-CG2 3.3Å; N18-V22 PolarHBondContact O-N 3.16Å; L19-V22 PolarHBondContact O-N 2.91Å; V22-G24 VanDerWaalsContact C-N 3.29Å; V22-G24 PolarHBondContact O-N 3.46Å; V22-I119 HydrophobicContact CG1-CG1 4.22Å; V22-S125 VanDerWaalsContact CG1-CB 3.43Å; V22-F128 HydrophobicContact CG2-CD1 3.75Å; V22-F128 HydrophobicContact CG2-CE1 4.23Å; V22-F128 HydrophobicContact CG2-CG 4.33Å
23	L	52.4	Low	47.7	Very low	34 Å²	34	84 Å²	84	18%	0.178	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	8.8	179.1	-61.6	175.7	0	0	0	114.2	L19 S20 R21 C25 N93 L161 I170 I172	L19-L23 HydrophobicContact CD2-CD1 4.15Å; L19-L23 WeakPolarHBondContact O-CB 3.4Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 2.83Å; S20-L23 CarbonylContact O-C 3.22Å; S20-L23 PolarHBondContact O-N 3.37Å; R21-L23 VanDerWaalsContact C-N 3.28Å; R21-L23 PolarHBondContact O-N 2.76Å; L23-C25 PolarHBondContact O-N 3.21Å; L23-C25 PolarHBondContact O-SG 3.3Å; L23-N93 WeakPolarHBondContact CD2-OD1 3.44Å; L23-L161 HydrophobicContact CD1-CD1 3.91Å; L23-I170 HydrophobicContact CB-CD1 4.4Å; L23-I170 HydrophobicContact CD1-CD1 4.04Å; L23-I170 HydrophobicContact CD1-CG2 4.38Å; L23-I172 HydrophobicContact CD1-CD1 4.46Å
24	G	50.7	Low	47.7	Very low	33 Å²	33	82.7 Å²	82.7	34%	0.34	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	18.9	178.5	0	0	0	0	0	115.6	S20 R21 V22 H26	S20-G24 PolarHBondContact O-N 3.43Å; R21-G24 PolarHBondContact O-N 2.75Å; V22-G24 VanDerWaalsContact C-N 3.29Å; V22-G24 PolarHBondContact O-N 3.46Å; G24-H26 PolarHBondContact O-N 3.47Å
25	C	47.4	Very low	47.2	Very low	12 Å²	12	84 Å²	84	8%	0.081	41%	0.406	C	S	.	.			trans	-87.2	104.6	179.5	-61.4	0	0	0	0	110.3	S20 L23 S163	S20-C25 WeakPolarHBondContact O-CA 3.4Å; S20-C25 WeakPolarHBondContact O-CB 3.35Å; S20-C25 PolarHBondContact O-N 3.37Å; L23-C25 PolarHBondContact O-N 3.21Å; L23-C25 PolarHBondContact O-SG 3.3Å; C25-S163 VanDerWaalsContact SG-CB 3.59Å; C25-S163 PolarHBondContact SG-OG 2.75Å
26	H	38.2	Very low	47.1	Very low	139 Å²	139	90.4 Å²	90.4	64%	0.644	43%	0.432	S	S	*	.			trans	-80.5	128.8	-179.3	-171	-96.2	0	0	0	112.1	G24	G24-H26 PolarHBondContact O-N 3.47Å
27	R	42.9	Very low	46.7	Very low	216 Å²	216	90.1 Å²	90.1	82%	0.815	43%	0.428	S	S	*	.			trans	-140.5	127.3	150	-144.4	178.4	-173.9	-163.2	2.8	113.3
28	S	44.1	Very low	46.1	Very low	84 Å²	84	90.8 Å²	90.8	59%	0.587	43%	0.426	S	S	*	.			trans	-88	105.2	-177.4	47.9	0	0	0	0	112.1
29	T	37.3	Very low	45.4	Very low	135 Å²	135	91.7 Å²	91.7	83%	0.828	43%	0.434	S	S	*	.	S	Bend	trans	169.4	-17.2	148.8	25.5	0	0	0	0	112.7
30	Y	37.1	Very low	45.2	Very low	93 Å²	93	94.1 Å²	94.1	37%	0.365	45%	0.448	S	S	.	.	S	Bend	trans	-79.5	-29.3	-170.4	-125.5	-126.8	0	0	0	115.4	R13 V17 R32	R13-Y30 HydrophobicContact CB-CD1 3.86Å; R13-Y30 HydrophobicContact CB-CE1 3.18Å; R13-Y30 VanDerWaalsContact CD-OH 3.32Å; R13-Y30 WeakPolarHBondContact CD-OH 3.36Å; R13-Y30 HydrophobicContact CG-CD1 4.14Å; R13-Y30 HydrophobicContact CG-CE1 3.13Å; R13-Y30 VanDerWaalsContact CG-CZ 3.46Å; R13-Y30 WeakPolarHBondContact CG-OH 3.34Å; R13-Y30 VanDerWaalsContact CZ-CZ 3.46Å; R13-Y30 VanDerWaalsContact NE-CZ 3.25Å; R13-Y30 PolarHBondContact NE-OH 3.18Å; V17-Y30 HydrophobicContact CG2-CD1 4.06Å; Y30-R32 PolarHBondContact O-N 3.49Å
31	N	38.5	Very low	44.5	Very low	86 Å²	86	97.9 Å²	97.9	46%	0.46	46%	0.46	S	S	.	.	H	α-helix	trans	-66.9	-35.5	-169.5	-91.5	-28.3	0	0	0	115.4	R33 W34 N35	N31-R33 PolarHBondContact O-N 3.5Å; N31-W34 PolarHBondContact O-N 2.88Å; N31-N35 PolarHBondContact O-N 3.46Å
32	R	40	Very low	43.8	Very low	226 Å²	226	91.1 Å²	91.1	85%	0.853	44%	0.437	S	S	*	.	H	α-helix	trans	-63	-40.6	-174.7	-79.5	-172.9	-176.3	172.7	1.8	113.2	Y30 K36	Y30-R32 PolarHBondContact O-N 3.49Å; R32-K36 PolarHBondContact O-N 3.3Å
33	R	37.5	Very low	43.5	Very low	163 Å²	163	96.8 Å²	96.8	62%	0.615	45%	0.452	S	S	*	.	H	α-helix	trans	-73.3	-31.2	-177.9	-166.3	173.1	-178.6	157.4	1.1	112.1	N31 L37	N31-R33 PolarHBondContact O-N 3.5Å; R33-L37 HydrophobicContact CG-CD1 4.39Å; R33-L37 PolarHBondContact O-N 3.19Å
34	W	41.9	Very low	43	Very low	56 Å²	56	104.5 Å²	104.5	21%	0.212	48%	0.478	C	S	.	.	H	α-helix	trans	-74.3	-42	175.2	-178.7	88.9	0	0	0	112.4	N31 K36 L37 R38	N31-W34 PolarHBondContact O-N 2.88Å; W34-K36 PolarHBondContact O-N 2.79Å; W34-K36 VanDerWaalsContact O-N 3.16Å; W34-L37 PolarHBondContact O-N 2.77Å; W34-L37 VanDerWaalsContact O-N 3.12Å; W34-R38 HydrophobicContact CD2-CB 4.15Å; W34-R38 HydrophobicContact CE3-CB 4.29Å; W34-R38 HydrophobicContact CH2-CG 4.44Å; W34-R38 HydrophobicContact CZ2-CB 4.42Å; W34-R38 HydrophobicContact CZ2-CG 4.46Å; W34-R38 VanDerWaalsContact CZ3-CD 3.41Å; W34-R38 WeakPolarHBondContact O-CB 3.14Å; W34-R38 PolarHBondContact O-N 2.71Å
35	N	45.1	Very low	42.6	Very low	84 Å²	84	108.1 Å²	108.1	45%	0.449	49%	0.486	S	S	.	.	H	α-helix	trans	-55.3	-36.4	173.6	-77	-15.6	0	0	0	111.2	N31 S39	N31-N35 PolarHBondContact O-N 3.46Å; N35-S39 WeakPolarHBondContact O-CB 3.33Å; N35-S39 PolarHBondContact O-N 3.21Å; N35-S39 PolarHBondContact O-OG 2.94Å
36	K	49	Very low	42.4	Very low	141 Å²	141	114 Å²	114	61%	0.613	52%	0.517	S	S	*	.	H	α-helix	trans	-68	-52.8	172.7	-169.2	173.4	-178.1	175	0	112.9	R32 W34 R38 S39 D40	R32-K36 PolarHBondContact O-N 3.3Å; W34-K36 PolarHBondContact O-N 2.79Å; W34-K36 VanDerWaalsContact O-N 3.16Å; K36-R38 PolarHBondContact O-N 2.91Å; K36-S39 WeakPolarHBondContact O-CB 3.36Å; K36-S39 PolarHBondContact O-N 3.29Å; K36-D40 WeakPolarHBondContact O-CB 3.47Å; K36-D40 PolarHBondContact O-N 2.6Å
37	L	41.5	Very low	42.4	Very low	57 Å²	57	109.6 Å²	109.6	30%	0.298	50%	0.498	S	S	.	.	H	α-helix	trans	-64.9	-38.6	-179.8	-78.1	164.3	0	0	0	113.6	V6 A10 R33 W34 D40 F41	V6-L37 HydrophobicContact CG1-CD2 4.11Å; A10-L37 HydrophobicContact CB-CD1 4.29Å; R33-L37 HydrophobicContact CG-CD1 4.39Å; R33-L37 PolarHBondContact O-N 3.19Å; W34-L37 PolarHBondContact O-N 2.77Å; W34-L37 VanDerWaalsContact O-N 3.12Å; L37-D40 PolarHBondContact O-N 2.86Å; L37-F41 VanDerWaalsContact O-CB 3.3Å; L37-F41 WeakPolarHBondContact O-CB 3.14Å; L37-F41 PolarHBondContact O-N 3.07Å
38	R	42.8	Very low	42	Very low	60 Å²	60	103.8 Å²	103.8	23%	0.226	48%	0.482	C	S	.	.	H	α-helix	trans	-61.3	-49.8	171.3	173	175.8	177.1	-168	4.2	109.9	W34 K36 D40 F41 L42	W34-R38 HydrophobicContact CD2-CB 4.15Å; W34-R38 HydrophobicContact CE3-CB 4.29Å; W34-R38 HydrophobicContact CH2-CG 4.44Å; W34-R38 HydrophobicContact CZ2-CB 4.42Å; W34-R38 HydrophobicContact CZ2-CG 4.46Å; W34-R38 VanDerWaalsContact CZ3-CD 3.41Å; W34-R38 WeakPolarHBondContact O-CB 3.14Å; W34-R38 PolarHBondContact O-N 2.71Å; K36-R38 PolarHBondContact O-N 2.91Å; R38-D40 VanDerWaalsContact C-N 3.29Å; R38-D40 PolarHBondContact O-N 3.4Å; R38-F41 PolarHBondContact O-N 2.95Å; R38-L42 HydrophobicContact CG-CD1 3.55Å; R38-L42 HydrophobicContact CG-CG 4.15Å; R38-L42 VanDerWaalsContact O-CB 3.3Å; R38-L42 WeakPolarHBondContact O-CB 3.36Å; R38-L42 WeakPolarHBondContact O-CG 3.18Å; R38-L42 PolarHBondContact O-N 2.99Å
39	S	46.8	Very low	41.8	Very low	54 Å²	54	104.1 Å²	104.1	38%	0.378	48%	0.484	S	S	.	.	H	α-helix	trans	-58.3	-42.7	175.7	-62.9	0	0	0	0	111.3	N35 K36 R43	N35-S39 WeakPolarHBondContact O-CB 3.33Å; N35-S39 PolarHBondContact O-N 3.21Å; N35-S39 PolarHBondContact O-OG 2.94Å; K36-S39 WeakPolarHBondContact O-CB 3.36Å; K36-S39 PolarHBondContact O-N 3.29Å; S39-R43 WeakPolarHBondContact O-CB 3.3Å; S39-R43 PolarHBondContact O-N 3.29Å
40	D	47.9	Very low	41.5	Very low	53 Å²	53	102.3 Å²	102.3	28%	0.283	47%	0.469	S	S	.	.	H	α-helix	trans	-68	-39.6	179.6	-70	-15.8	0	0	0	112.7	K36 L37 R38 R44	K36-D40 WeakPolarHBondContact O-CB 3.47Å; K36-D40 PolarHBondContact O-N 2.6Å; L37-D40 PolarHBondContact O-N 2.86Å; R38-D40 VanDerWaalsContact C-N 3.29Å; R38-D40 PolarHBondContact O-N 3.4Å; D40-R44 VanDerWaalsContact O-CB 3.3Å; D40-R44 WeakPolarHBondContact O-CB 2.99Å; D40-R44 WeakPolarHBondContact O-CG 3.34Å; D40-R44 PolarHBondContact O-N 3.49Å
41	F	42.7	Very low	41.5	Very low	107 Å²	107	98.7 Å²	98.7	47%	0.469	46%	0.458	S	S	.	.	H	α-helix	trans	-68.6	-48.3	176.6	177.6	-94.5	0	0	0	111.5	L37 R38 R43 R44 H45 L47	L37-F41 VanDerWaalsContact O-CB 3.3Å; L37-F41 WeakPolarHBondContact O-CB 3.14Å; L37-F41 PolarHBondContact O-N 3.07Å; R38-F41 PolarHBondContact O-N 2.95Å; F41-R43 VanDerWaalsContact C-N 3.31Å; F41-R43 PolarHBondContact O-N 2.86Å; F41-R44 PolarHBondContact O-N 2.81Å; F41-H45 AromaticContact CD2-CD2 3.71Å; F41-H45 AromaticContact CE2-CD2 3.53Å; F41-H45 AromaticContact CE2-NE2 3.78Å; F41-H45 AromaticContact CZ-CD2 3.92Å; F41-H45 PolarHBondContact O-CD2 3.18Å; F41-H45 PolarHBondContact O-N 3.34Å; F41-L47 HydrophobicContact CE1-CD1 4.48Å
42	L	42.4	Very low	41.1	Very low	22 Å²	22	99.1 Å²	99.1	12%	0.115	46%	0.46	C	S	.	.	H	α-helix	trans	-64.5	-36.3	178.3	-66.3	175.5	0	0	0	111.7	R38 N46 L47 L48	R38-L42 HydrophobicContact CG-CD1 3.55Å; R38-L42 HydrophobicContact CG-CG 4.15Å; R38-L42 VanDerWaalsContact O-CB 3.3Å; R38-L42 WeakPolarHBondContact O-CB 3.36Å; R38-L42 WeakPolarHBondContact O-CG 3.18Å; R38-L42 PolarHBondContact O-N 2.99Å; L42-N46 WeakPolarHBondContact O-CA 3.48Å; L42-N46 PolarHBondContact O-N 3.17Å; L42-L47 HydrophobicContact CD2-CB 3.85Å; L42-L47 PolarHBondContact O-N 3.08Å; L42-L48 HydrophobicContact CB-CD2 4.35Å
43	R	46.4	Very low	40.7	Very low	178 Å²	178	96 Å²	96	67%	0.672	45%	0.453	S	S	*	.	H	α-helix	trans	-71.3	-36.1	175	-162.9	-173.8	-58.8	-161.6	0	112.2	S39 F41	S39-R43 WeakPolarHBondContact O-CB 3.3Å; S39-R43 PolarHBondContact O-N 3.29Å; F41-R43 VanDerWaalsContact C-N 3.31Å; F41-R43 PolarHBondContact O-N 2.86Å
44	R	42.6	Very low	40.3	Very low	196 Å²	196	90.4 Å²	90.4	74%	0.74	44%	0.442	S	S	*	.	H	α-helix	trans	-69	-36.1	175.8	-89.4	-173.5	177.6	102.1	0.1	113.7	D40 F41	D40-R44 VanDerWaalsContact O-CB 3.3Å; D40-R44 WeakPolarHBondContact O-CB 2.99Å; D40-R44 WeakPolarHBondContact O-CG 3.34Å; D40-R44 PolarHBondContact O-N 3.49Å; F41-R44 PolarHBondContact O-N 2.81Å
45	H	41.8	Very low	39.9	Very low	109 Å²	109	91.4 Å²	91.4	51%	0.505	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	7.2	-177.2	-66.5	-73.3	0	0	0	113.6	F41 L47	F41-H45 AromaticContact CD2-CD2 3.71Å; F41-H45 AromaticContact CE2-CD2 3.53Å; F41-H45 AromaticContact CE2-NE2 3.78Å; F41-H45 AromaticContact CZ-CD2 3.92Å; F41-H45 PolarHBondContact O-CD2 3.18Å; F41-H45 PolarHBondContact O-N 3.34Å; H45-L47 HydrophobicContact CB-CD1 4.1Å; H45-L47 HydrophobicContact CB-CG 4.07Å; H45-L47 PolarHBondContact O-N 3.22Å
46	N	43.5	Very low	39.1	Very low	136 Å²	136	93.3 Å²	93.3	73%	0.727	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	33.4	178.2	-130.2	22	0	0	0	114.3	L42 L48	L42-N46 WeakPolarHBondContact O-CA 3.48Å; L42-N46 PolarHBondContact O-N 3.17Å; N46-L48 VanDerWaalsContact C-N 3.34Å; N46-L48 PolarHBondContact O-N 2.92Å
47	L	38.9	Very low	38.3	Very low	46 Å²	46	90.1 Å²	90.1	24%	0.241	45%	0.452	C	S	.	.			trans	-96	31.9	-177.1	-63.1	177.3	0	0	0	112.6	F41 L42 H45 S49 L50	F41-L47 HydrophobicContact CE1-CD1 4.48Å; L42-L47 HydrophobicContact CD2-CB 3.85Å; L42-L47 PolarHBondContact O-N 3.08Å; H45-L47 HydrophobicContact CB-CD1 4.1Å; H45-L47 HydrophobicContact CB-CG 4.07Å; H45-L47 PolarHBondContact O-N 3.22Å; L47-S49 PolarHBondContact O-N 3.3Å; L47-L50 HydrophobicContact CB-CD1 4.11Å; L47-L50 HydrophobicContact CD2-CD1 3.91Å; L47-L50 HydrophobicContact CG-CD1 4.41Å; L47-L50 PolarHBondContact O-N 3.3Å; L47-L50 VanDerWaalsContact O-N 3.14Å
48	L	34.5	Very low	37.8	Very low	93 Å²	93	90.1 Å²	90.1	49%	0.487	45%	0.454	S	S	.	.	H	α-helix	trans	-64	-22.4	-176.9	-65.1	172.7	0	0	0	113	L42 N46 S51	L42-L48 HydrophobicContact CB-CD2 4.35Å; N46-L48 VanDerWaalsContact C-N 3.34Å; N46-L48 PolarHBondContact O-N 2.92Å; L48-S51 PolarHBondContact O-N 3.29Å; L48-S51 PolarHBondContact O-OG 3.48Å
49	S	39.5	Very low	37.1	Very low	91 Å²	91	91 Å²	91	64%	0.636	47%	0.466	S	S	*	.	H	α-helix	trans	-67.3	-32.5	174.2	59	0	0	0	0	113.1	L47 S51 N52 F53	L47-S49 PolarHBondContact O-N 3.3Å; S49-S51 VanDerWaalsContact C-N 3.32Å; S49-S51 PolarHBondContact O-N 3.37Å; S49-N52 PolarHBondContact O-N 2.74Å; S49-F53 PolarHBondContact O-N 3.41Å
50	L	31.7	Very low	36.5	Very low	98 Å²	98	93.4 Å²	93.4	51%	0.513	48%	0.479	S	S	.	.	H	α-helix	trans	-69.9	-26.8	177.6	-90.5	117.1	0	0	0	112.9	L47 A54	L47-L50 HydrophobicContact CB-CD1 4.11Å; L47-L50 HydrophobicContact CD2-CD1 3.91Å; L47-L50 HydrophobicContact CG-CD1 4.41Å; L47-L50 PolarHBondContact O-N 3.3Å; L47-L50 VanDerWaalsContact O-N 3.14Å; L50-A54 PolarHBondContact O-N 3.44Å
51	S	35.9	Very low	35.9	Very low	17 Å²	17	96.2 Å²	96.2	12%	0.119	49%	0.49	C	S	.	.	H	α-helix	trans	-68.9	-35.7	175.1	34.3	0	0	0	0	112.9	L48 S49 A54 I55	L48-S51 PolarHBondContact O-N 3.29Å; L48-S51 PolarHBondContact O-OG 3.48Å; S49-S51 VanDerWaalsContact C-N 3.32Å; S49-S51 PolarHBondContact O-N 3.37Å; S51-A54 PolarHBondContact O-N 3.36Å; S51-I55 WeakPolarHBondContact O-CB 3.36Å; S51-I55 WeakPolarHBondContact O-CD1 3.3Å; S51-I55 WeakPolarHBondContact O-CG1 3.44Å; S51-I55 PolarHBondContact O-N 3.4Å; S51-I55 VanDerWaalsContact O-N 3.08Å
52	N	31.4	Very low	35.3	Very low	94 Å²	94	97.8 Å²	97.8	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-69.2	-40.2	179	-68	-6.2	0	0	0	110.5	S49 A54 I55 E56	S49-N52 PolarHBondContact O-N 2.74Å; N52-A54 PolarHBondContact O-N 2.73Å; N52-I55 PolarHBondContact O-N 2.88Å; N52-I55 VanDerWaalsContact O-N 3.17Å; N52-E56 WeakPolarHBondContact O-CB 3.37Å; N52-E56 WeakPolarHBondContact O-CG 3.3Å; N52-E56 PolarHBondContact O-N 3.14Å
53	F	30.9	Very low	34.7	Very low	161 Å²	161	105.1 Å²	105.1	71%	0.706	54%	0.536	S	S	*	.	H	α-helix	trans	-58.6	-44	175.6	-172	-101.8	0	0	0	113	S49 S57	S49-F53 PolarHBondContact O-N 3.41Å; F53-S57 PolarHBondContact O-N 3.43Å; F53-S57 PolarHBondContact O-OG 3.43Å
54	A	30	Very low	34	Very low	46 Å²	46	101.2 Å²	101.2	38%	0.38	54%	0.536	S	S	.	.	H	α-helix	trans	-78.2	-17	179.6	0	0	0	0	0	114.3	L50 S51 N52 S57 T58	L50-A54 PolarHBondContact O-N 3.44Å; S51-A54 PolarHBondContact O-N 3.36Å; N52-A54 PolarHBondContact O-N 2.73Å; A54-S57 PolarHBondContact O-OG 3.34Å; A54-T58 PolarHBondContact O-OG1 3.03Å
55	I	33.2	Very low	33.5	Very low	77 Å²	77	98.6 Å²	98.6	40%	0.395	54%	0.536	S	S	.	.	H	α-helix	trans	-91.8	-41	177.7	-69.4	167.6	0	0	0	110.2	S51 N52 S57 T58 T59	S51-I55 WeakPolarHBondContact O-CB 3.36Å; S51-I55 WeakPolarHBondContact O-CD1 3.3Å; S51-I55 WeakPolarHBondContact O-CG1 3.44Å; S51-I55 PolarHBondContact O-N 3.4Å; S51-I55 VanDerWaalsContact O-N 3.08Å; N52-I55 PolarHBondContact O-N 2.88Å; N52-I55 VanDerWaalsContact O-N 3.17Å; I55-S57 PolarHBondContact O-N 3.47Å; I55-T58 PolarHBondContact O-N 3.02Å; I55-T58 PolarHBondContact O-OG1 3.14Å; I55-T59 HydrophobicContact CG2-CG2 3.96Å; I55-T59 PolarHBondContact O-N 3.24Å; I55-T59 PolarHBondContact O-OG1 3.39Å; I55-T59 VanDerWaalsContact O-OG1 3.07Å
56	E	27.6	Very low	32.7	Very low	124 Å²	124	100.8 Å²	100.8	58%	0.579	55%	0.551	S	S	*	*	H	α-helix	trans	-60.7	-34.7	176	-77	172.4	-178	0	0	111.8	N52 T58 T60	N52-E56 WeakPolarHBondContact O-CB 3.37Å; N52-E56 WeakPolarHBondContact O-CG 3.3Å; N52-E56 PolarHBondContact O-N 3.14Å; E56-T58 VanDerWaalsContact C-N 3.28Å; E56-T58 PolarHBondContact O-N 3.01Å; E56-T60 PolarHBondContact O-OG1 2.84Å
57	S	31.3	Very low	32	Very low	73 Å²	73	105 Å²	105	51%	0.51	56%	0.557	S	S	.	*	H	α-helix	trans	-69.1	-21.6	172.6	60.4	0	0	0	0	114	F53 A54 I55	F53-S57 PolarHBondContact O-N 3.43Å; F53-S57 PolarHBondContact O-OG 3.43Å; A54-S57 PolarHBondContact O-OG 3.34Å; I55-S57 PolarHBondContact O-N 3.47Å
58	T	32.6	Very low	31.5	Very low	57 Å²	57	111.4 Å²	111.4	35%	0.35	59%	0.586	S	S	.	*	H	α-helix	trans	-99.3	-28.8	-180	16.8	0	0	0	0	114.1	A54 I55 E56	A54-T58 PolarHBondContact O-OG1 3.03Å; I55-T58 PolarHBondContact O-N 3.02Å; I55-T58 PolarHBondContact O-OG1 3.14Å; E56-T58 VanDerWaalsContact C-N 3.28Å; E56-T58 PolarHBondContact O-N 3.01Å
59	T	28.4	Very low	31.3	Very low	79 Å²	79	114.7 Å²	114.7	49%	0.485	60%	0.602	S	S	.	*	H	α-helix	trans	-83.2	-27	-177.3	48.4	0	0	0	0	113.6	I55 E61	I55-T59 HydrophobicContact CG2-CG2 3.96Å; I55-T59 PolarHBondContact O-N 3.24Å; I55-T59 PolarHBondContact O-OG1 3.39Å; I55-T59 VanDerWaalsContact O-OG1 3.07Å; T59-E61 VanDerWaalsContact C-N 3.32Å; T59-E61 PolarHBondContact O-N 2.96Å
60	T	32.4	Very low	30.7	Very low	104 Å²	104	118.3 Å²	118.3	64%	0.638	61%	0.614	S	S	*	*	H	α-helix	trans	-74.3	-24.8	-175	-41.3	0	0	0	0	112.1	E56	E56-T60 PolarHBondContact O-OG1 2.84Å
61	E	36.7	Very low	30.6	Very low	113 Å²	113	118.6 Å²	118.6	53%	0.528	62%	0.623	S	S	.	*	H	α-helix	trans	-102	-24.6	-178.8	-75.7	-177.3	163.1	0	0	114.9	T59 M63 S64	T59-E61 VanDerWaalsContact C-N 3.32Å; T59-E61 PolarHBondContact O-N 2.96Å; E61-M63 PolarHBondContact O-N 3.31Å; E61-M63 VanDerWaalsContact O-N 3.12Å; E61-S64 PolarHBondContact O-N 3.41Å
62	M	30.1	Very low	30.3	Very low	140 Å²	140	123.5 Å²	123.5	69%	0.69	66%	0.655	S	S	*	*	H	α-helix	trans	-63.7	-17.2	174.6	-100.6	-178.8	75.2	0	0	113.3	S64	M62-S64 VanDerWaalsContact C-N 3.31Å
63	M	29.9	Very low	30	Very low	175 Å²	175	128.5 Å²	128.5	86%	0.862	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-6.1	174.2	-66.3	-169.5	115.9	0	0	113.9	E61	E61-M63 PolarHBondContact O-N 3.31Å; E61-M63 VanDerWaalsContact O-N 3.12Å
64	S	32	Very low	30.1	Very low	96 Å²	96	128.4 Å²	128.4	67%	0.671	68%	0.68	S	S	*	*	S	Bend	trans	-111.6	-2.8	-170.7	-58.3	0	0	0	0	115.4	E61 M62	E61-S64 PolarHBondContact O-N 3.41Å; M62-S64 VanDerWaalsContact C-N 3.31Å
65	I	30.4	Very low	30	Very low	142 Å²	142	131.5 Å²	131.5	73%	0.728	70%	0.697	S	S	*	*	S	Bend	trans	-111.2	-6.6	-175.1	-58.4	178.8	0	0	0	113.9	R67	I65-R67 PolarHBondContact O-N 3.41Å
66	D	26.2	Very low	29.7	Very low	155 Å²	155	133.6 Å²	133.6	83%	0.829	72%	0.718	S	S	*	*			trans	-81.8	54.9	171.2	-73.1	-24.1	0	0	0	112.1
67	R	28.3	Very low	29.8	Very low	224 Å²	224	134.3 Å²	134.3	85%	0.845	73%	0.731	S	S	*	*	S	Bend	trans	-141.8	116.2	161	-73.8	-167.8	-179.5	164.4	1.1	110.6	I65	I65-R67 PolarHBondContact O-N 3.41Å
68	E	27.7	Very low	29.8	Very low	181 Å²	181	138.4 Å²	138.4	85%	0.846	75%	0.746	S	S	*	*			trans	71.3	78.5	154.1	-61.4	177.1	176.1	0	0	117.9
69	I	31.9	Very low	29.5	Very low	162 Å²	162	142.8 Å²	142.8	83%	0.831	77%	0.765	S	S	*	*			trans	-129.6	94.8	137.3	-57.7	-178.8	0	0	0	108.1
70	N	25.6	Very low	29.3	Very low	167 Å²	167	144.3 Å²	144.3	89%	0.893	78%	0.777	S	S	*	*			trans	-96.1	102.6	171.3	-148.6	6.4	0	0	0	105.8
71	C	30.9	Very low	29.1	Very low	104 Å²	104	144.6 Å²	144.6	70%	0.703	78%	0.783	S	S	*	*			trans	-126.2	142.6	174.5	-83	0	0	0	0	110.5
72	P	29.7	Very low	28.5	Very low	119 Å²	119	145 Å²	145	77%	0.773	79%	0.793	S	S	*	*			trans	-88.5	151.3	-149.9	-2.2	22	0	0	0	113.6	I74	P72-I74 PolarHBondContact O-N 3.22Å
73	E	25.2	Very low	28.4	Very low	199 Å²	199	142.9 Å²	142.9	93%	0.93	79%	0.792	S	S	*	*			trans	-60.8	123.9	175.4	-61.3	179.7	163.9	0	0	111.7
74	I	31.3	Very low	28.1	Very low	159 Å²	159	140.5 Å²	140.5	82%	0.815	79%	0.791	S	S	*	*			trans	-112.5	136.4	165.7	-63.1	177.9	0	0	0	107.5	P72	P72-I74 PolarHBondContact O-N 3.22Å
75	P	29	Very low	27.9	Very low	112 Å²	112	140.9 Å²	140.9	73%	0.727	79%	0.79	S	S	*	*			trans	-83.5	151.9	-155.6	25.8	-21.6	0	0	0	114.4	T77	P75-T77 PolarHBondContact O-N 3.38Å
76	S	26.1	Very low	28.1	Very low	120 Å²	120	139.5 Å²	139.5	84%	0.839	78%	0.784	S	S	*	*			trans	-48.9	120.6	174.9	39.6	0	0	0	0	113.2
77	T	30.1	Very low	28.7	Very low	140 Å²	140	138.1 Å²	138.1	86%	0.859	77%	0.772	S	S	*	*			trans	-130.5	139.4	157.3	-60.6	0	0	0	0	109.5	P75	P75-T77 PolarHBondContact O-N 3.38Å
78	I	31.1	Very low	29.2	Very low	159 Å²	159	134.5 Å²	134.5	82%	0.815	76%	0.759	S	S	*	*			trans	-69.8	145.8	-159.5	-69.5	159.8	0	0	0	113.3
79	I	25.5	Very low	30.2	Very low	148 Å²	148	129.4 Å²	129.4	76%	0.759	74%	0.737	S	S	*	*			trans	-53.2	142.4	173.2	-60.7	158.3	0	0	0	112.7
80	P	25.8	Very low	30.9	Very low	112 Å²	112	130 Å²	130	73%	0.727	74%	0.741	S	S	*	*			trans	-108	130.4	138.5	14	4.2	0	0	0	110.9	T82	P80-T82 PolarHBondContact O-N 3.05Å
81	S	26.9	Very low	32.6	Very low	110 Å²	110	128.3 Å²	128.3	77%	0.769	73%	0.727	S	S	*	*			trans	-66	110.2	168.8	49.4	0	0	0	0	111
82	T	25.9	Very low	34.5	Very low	122 Å²	122	127.3 Å²	127.3	75%	0.748	72%	0.715	S	S	*	*			trans	-151.8	122.8	159.8	41.8	0	0	0	0	109.4	P80	P80-T82 PolarHBondContact O-N 3.05Å
83	S	27.2	Very low	36.9	Very low	95 Å²	95	122.5 Å²	122.5	66%	0.664	68%	0.683	S	S	*	*			trans	30.4	113.8	163.3	57.2	0	0	0	0	117.3	T85	S83-T85 PolarHBondContact O-N 3.1Å
84	C	24.4	Very low	39.9	Very low	125 Å²	125	115.9 Å²	115.9	85%	0.845	65%	0.652	S	S	*	*			trans	-57.5	76.9	164.5	-64.6	0	0	0	0	111.5	N86	C84-N86 PolarHBondContact O-N 3.29Å
85	T	27.3	Very low	42.7	Very low	104 Å²	104	108.3 Å²	108.3	64%	0.638	61%	0.613	S	S	*	*			trans	-76.5	114.1	156.7	44.9	0	0	0	0	105.7	S83 E87	S83-T85 PolarHBondContact O-N 3.1Å; T85-E87 VanDerWaalsContact C-N 3.28Å; T85-E87 PolarHBondContact O-N 3.21Å
86	N	34.8	Very low	45.7	Very low	113 Å²	113	107 Å²	107	60%	0.604	59%	0.594	S	S	*	*			trans	-53.6	89.6	174.1	-75.6	-38.2	0	0	0	109.9	C84 R88	C84-N86 PolarHBondContact O-N 3.29Å; N86-R88 VanDerWaalsContact C-N 3.34Å; N86-R88 PolarHBondContact O-N 2.81Å
87	E	37.5	Very low	48.8	Very low	125 Å²	125	101.3 Å²	101.3	58%	0.584	55%	0.554	S	S	*	*			trans	-67.2	96.4	166.9	-76.1	-178.8	176.9	0	0	107.5	T85 L89 K168	T85-E87 VanDerWaalsContact C-N 3.28Å; T85-E87 PolarHBondContact O-N 3.21Å; E87-L89 PolarHBondContact O-N 2.94Å; E87-K168 WeakPolarHBondContact O-CD 3.17Å; E87-K168 WeakPolarHBondContact O-CG 3.25Å; E87-K168 IonicContact OE2-NZ 2.76Å; E87-K168 PolarHBondContact OE2-NZ 2.84Å
88	R	39.7	Very low	51.7	Low	149 Å²	149	97 Å²	97	56%	0.562	53%	0.526	S	S	*	.			trans	-57.8	132.2	167.1	-77.3	-179.6	169.7	175.7	-5.9	107.9	N86 L90	N86-R88 VanDerWaalsContact C-N 3.34Å; N86-R88 PolarHBondContact O-N 2.81Å; R88-L90 PolarHBondContact O-N 2.99Å
89	L	47.6	Very low	54.4	Low	73 Å²	73	89.4 Å²	89.4	38%	0.382	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	125.3	163	-72.7	168.3	0	0	0	106.6	E87 E91 K168 I170	E87-L89 PolarHBondContact O-N 2.94Å; L89-E91 PolarHBondContact O-N 2.92Å; L89-E91 VanDerWaalsContact O-N 3.14Å; L89-K168 HydrophobicContact CD2-CD 4.07Å; L89-K168 HydrophobicContact CG-CB 4.44Å; L89-K168 HydrophobicContact CG-CD 4.04Å; L89-I170 HydrophobicContact CD1-CG1 4.3Å
90	L	48.6	Very low	57	Low	175 Å²	175	84.2 Å²	84.2	92%	0.916	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	-8.6	-167.1	-102.1	118.3	0	0	0	114.9	R88	R88-L90 PolarHBondContact O-N 2.99Å
91	E	60.9	Low	59.4	Low	131 Å²	131	80.5 Å²	80.5	61%	0.612	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	111.3	-179.9	-67.8	-179.9	-176.4	0	0	110.4	L89 N93	L89-E91 PolarHBondContact O-N 2.92Å; L89-E91 VanDerWaalsContact O-N 3.14Å; E91-N93 PolarHBondContact O-N 3.44Å; E91-N93 PolarHBondContact O-ND2 3.16Å
92	D	69.9	Low	61.3	Low	84 Å²	84	79.4 Å²	79.4	45%	0.449	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	125.8	171.7	-72.9	-24.4	0	0	0	109.2	E94 A171 K173	D92-E94 PolarHBondContact O-N 3.33Å; D92-A171 WeakPolarHBondContact OD1-CB 3.1Å; D92-K173 HydrophobicContact CB-CB 4.23Å
93	N	80.6	Confident	63	Low	17 Å²	17	77 Å²	77	9%	0.091	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	115.4	173.1	-75.2	-118.9	0	0	0	108	L23 E91 L95 I119 A121 I170 A171 I172 K173	L23-N93 WeakPolarHBondContact CD2-OD1 3.44Å; E91-N93 PolarHBondContact O-N 3.44Å; E91-N93 PolarHBondContact O-ND2 3.16Å; N93-L95 PolarHBondContact O-N 3.3Å; N93-I119 HydrophobicContact CB-CG2 4.43Å; N93-A121 CarbonylContact C-O 3.5Å; N93-A121 VanDerWaalsContact CA-O 3.29Å; N93-A121 WeakPolarHBondContact CA-O 3.32Å; N93-I170 HydrophobicContact CB-CG2 4.27Å; N93-I170 WeakPolarHBondContact ND2-CG2 3.32Å; N93-A171 PolarHBondContact N-O 2.72Å; N93-I172 HydrophobicContact CB-CG1 4.3Å; N93-I172 WeakPolarHBondContact O-CA 3.44Å; N93-K173 PolarHBondContact O-N 3.44Å
94	E	88.3	Confident	64.1	Low	61 Å²	61	76.2 Å²	76.2	29%	0.285	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	119.9	-178.5	-67.2	-164.7	-169.9	0	0	110.4	D92 I119 V120 A121 T175	D92-E94 PolarHBondContact O-N 3.33Å; E94-I119 CarbonylContact O-C 3.59Å; E94-I119 VanDerWaalsContact O-CA 3.32Å; E94-I119 WeakPolarHBondContact O-CA 3.43Å; E94-V120 HydrophobicContact CB-CG2 3.59Å; E94-V120 PolarHBondContact O-N 3.46Å; E94-A121 HydrophobicContact CB-CB 4Å; E94-A121 HydrophobicContact CG-CB 4.01Å; E94-A121 PolarHBondContact N-O 2.86Å; E94-T175 WeakPolarHBondContact CB-OG1 3.49Å; E94-T175 WeakPolarHBondContact CG-OG1 3.06Å; E94-T175 PolarHBondContact OE2-OG1 3.14Å
95	L	89.1	Confident	65.4	Low	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127	179.3	175.9	66	0	0	0	110.2	N93 N97 I119 F128 M156 I172 K173 L174 T175	N93-L95 PolarHBondContact O-N 3.3Å; L95-N97 WeakPolarHBondContact CG-OD1 3.45Å; L95-I119 HydrophobicContact CB-CD1 4.27Å; L95-I119 HydrophobicContact CD1-CD1 3.91Å; L95-F128 HydrophobicContact CD1-CZ 3.82Å; L95-M156 HydrophobicContact CD2-CE 3.41Å; L95-M156 VanDerWaalsContact CD2-CE 3.41Å; L95-I172 HydrophobicContact CB-CG2 3.99Å; L95-I172 HydrophobicContact CD2-CG2 4.29Å; L95-K173 PolarHBondContact N-O 3.14Å; L95-L174 HydrophobicContact CD2-CD1 4.44Å; L95-L174 HydrophobicContact CG-CD1 4.36Å; L95-T175 PolarHBondContact O-N 3.28Å
96	Y	92.4	Very high	66.7	Low	83 Å²	83	80 Å²	80	33%	0.325	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130	164.5	-73	6.2	0	0	0	109.3	G117 R118 V120 T175 A176 I178	Y96-G117 CarbonylContact O-C 3.51Å; Y96-G117 VanDerWaalsContact O-CA 3.28Å; Y96-G117 WeakPolarHBondContact O-CA 3.09Å; Y96-R118 PolarHBondContact N-O 2.9Å; Y96-R118 PolarHBondContact O-N 3.47Å; Y96-V120 HydrophobicContact CD1-CG1 4.19Å; Y96-V120 HydrophobicContact CD1-CG2 3.84Å; Y96-V120 HydrophobicContact CD2-CG1 3.58Å; Y96-V120 HydrophobicContact CE1-CG1 4.39Å; Y96-V120 HydrophobicContact CE1-CG2 3.58Å; Y96-V120 HydrophobicContact CE2-CG1 3.8Å; Y96-V120 HydrophobicContact CE2-CG2 4.3Å; Y96-V120 HydrophobicContact CG-CG1 3.79Å; Y96-V120 HydrophobicContact CG-CG2 4.31Å; Y96-T175 HydrophobicContact CE1-CG2 3.78Å; Y96-A176 CarbonylContact C-O 3.6Å; Y96-A176 WeakPolarHBondContact CA-O 3.28Å; Y96-A176 HydrophobicContact CD1-CB 3.56Å; Y96-A176 HydrophobicContact CD2-CB 4.42Å; Y96-A176 HydrophobicContact CE1-CB 3.74Å; Y96-A176 HydrophobicContact CG-CB 3.93Å; Y96-I178 HydrophobicContact CD2-CD1 4.04Å
97	N	91.3	Very high	67.6	Low	1 Å²	1	80.2 Å²	80.2	1%	0.005	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	137.8	169.5	-72.4	-9.8	0	0	0	109.8	L95 L116 I130 I153 L174 A176 V177 I178	L95-N97 WeakPolarHBondContact CG-OD1 3.45Å; N97-L116 CarbonylContact C-O 3.58Å; N97-L116 WeakPolarHBondContact CA-O 3.35Å; N97-I130 WeakPolarHBondContact OD1-CD1 3.46Å; N97-I153 VanDerWaalsContact ND2-CD1 3.35Å; N97-I153 WeakPolarHBondContact ND2-CD1 3.28Å; N97-L174 HydrophobicContact CB-CD1 4.08Å; N97-L174 WeakPolarHBondContact ND2-CD1 3.45Å; N97-A176 PolarHBondContact N-O 3.21Å; N97-V177 CarbonylContact O-C 3.56Å; N97-V177 WeakPolarHBondContact O-CA 3.45Å; N97-I178 PolarHBondContact O-N 3.09Å
98	N	90.6	Very high	68.4	Low	49 Å²	49	75.8 Å²	75.8	26%	0.262	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.8	167.5	171.4	-93.4	0	0	0	109.6	V115 L116 I178	N98-V115 WeakPolarHBondContact O-CA 3.26Å; N98-L116 HydrophobicContact CB-CB 4.25Å; N98-L116 PolarHBondContact N-O 2.88Å; N98-L116 PolarHBondContact O-N 2.87Å; N98-I178 CarbonylContact C-O 3.55Å; N98-I178 VanDerWaalsContact CA-O 3.28Å; N98-I178 WeakPolarHBondContact CA-O 3.29Å; N98-I178 HydrophobicContact CB-CB 4.49Å; N98-I178 PolarHBondContact ND2-O 3.39Å
99	I	87.6	Confident	69.4	Low	1 Å²	1	72 Å²	72	1%	0.005	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	118.5	179	-55.6	179.5	0	0	0	107.5	W113 V115 F142 V177 I178 C179 V187 F243	I99-W113 HydrophobicContact CG2-CE3 4.06Å; I99-V115 HydrophobicContact CG1-CG1 4.2Å; I99-V115 HydrophobicContact CG1-CG2 4.26Å; I99-F142 HydrophobicContact CD1-CZ 4.24Å; I99-F142 HydrophobicContact CG2-CE2 4.07Å; I99-F142 HydrophobicContact CG2-CZ 4.4Å; I99-V177 HydrophobicContact CD1-CG1 4.01Å; I99-V177 HydrophobicContact CG1-CG1 4.45Å; I99-I178 PolarHBondContact N-O 3.1Å; I99-C179 WeakPolarHBondContact O-CA 3.31Å; I99-C179 WeakPolarHBondContact O-CB 3.38Å; I99-V187 HydrophobicContact CB-CG2 4.4Å; I99-V187 HydrophobicContact CD1-CG2 4.19Å; I99-V187 HydrophobicContact CG2-CG2 3.93Å; I99-F243 HydrophobicContact CD1-CE2 4.14Å; I99-F243 HydrophobicContact CD1-CZ 3.6Å
100	D	81.8	Confident	70.1	Confident	38 Å²	38	72 Å²	72	20%	0.203	38%	0.382	C	S	.	.			trans	-137.8	154.4	-179.9	-163.5	5.2	0	0	0	110.6	W113 P114	D100-W113 WeakPolarHBondContact O-CA 3.27Å; D100-P114 VanDerWaalsContact O-CD 3.27Å; D100-P114 WeakPolarHBondContact O-CD 3.11Å
101	G	74.4	Confident	71.1	Confident	35 Å²	35	67.4 Å²	67.4	36%	0.361	36%	0.356	S	S	.	.			trans	-95.2	111	173.8	0	0	0	0	0	110.9	L112	G101-L112 CarbonylContact C-O 3.51Å; G101-L112 WeakPolarHBondContact CA-O 3.27Å
102	L	67.8	Low	71.7	Confident	86 Å²	86	62.7 Å²	62.7	45%	0.45	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.2	174.9	-62.4	178.6	0	0	0	110.8	L112 P114	L102-L112 HydrophobicContact CB-CB 4.27Å; L102-L112 PolarHBondContact N-O 2.8Å; L102-L112 PolarHBondContact O-N 3.27Å; L102-P114 HydrophobicContact CD1-CG 3.68Å; L102-P114 HydrophobicContact CG-CG 4.06Å
103	S	60.7	Low	72	Confident	72 Å²	72	59.7 Å²	59.7	50%	0.503	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	125.4	166.1	-177.7	0	0	0	0	109.7	S105	S103-S105 VanDerWaalsContact C-N 3.33Å; S103-S105 PolarHBondContact O-N 3.33Å; S103-S105 PolarHBondContact OG-O 3.4Å
104	M	51.3	Low	72	Confident	78 Å²	78	59.3 Å²	59.3	38%	0.384	32%	0.316	S	S	.	.	S	Bend	trans	-69	-30.8	-179.1	-79.5	-152.7	-71.7	0	0	113.5	Q110 L112	M104-Q110 HydrophobicContact CB-CB 4.47Å; M104-Q110 HydrophobicContact CE-CB 3.47Å; M104-Q110 VanDerWaalsContact CE-CB 3.47Å; M104-Q110 HydrophobicContact CE-CG 4.12Å; M104-Q110 PolarHBondContact N-O 2.95Å; M104-Q110 VanDerWaalsContact N-O 3.14Å; M104-L112 HydrophobicContact CE-CD2 4.47Å; M104-L112 HydrophobicContact CE-CG 4.46Å; M104-L112 HydrophobicContact CG-CD1 3.27Å; M104-L112 HydrophobicContact CG-CD2 4.35Å; M104-L112 HydrophobicContact CG-CG 3.44Å; M104-L112 VanDerWaalsContact CG-CG 3.44Å; M104-L112 HydrophobicContact SD-CD1 3.51Å; M104-L112 VanDerWaalsContact SD-CD1 3.51Å; M104-L112 HydrophobicContact SD-CD2 4.09Å; M104-L112 HydrophobicContact SD-CG 3.79Å
105	S	51.7	Low	71.8	Confident	41 Å²	41	56.6 Å²	56.6	29%	0.287	30%	0.303	S	S	.	.			trans	-157.4	153.5	176.1	75.1	0	0	0	0	110.8	S103 S107 S108	S103-S105 VanDerWaalsContact C-N 3.33Å; S103-S105 PolarHBondContact O-N 3.33Å; S103-S105 PolarHBondContact OG-O 3.4Å; S105-S107 PolarHBondContact O-N 3.06Å; S105-S107 PolarHBondContact OG-N 3.24Å; S105-S107 PolarHBondContact OG-OG 2.89Å; S105-S108 PolarHBondContact O-N 2.83Å; S105-S108 WeakPolarHBondContact OG-CB 3.33Å; S105-S108 PolarHBondContact OG-N 3.14Å; S105-S108 PolarHBondContact OG-OG 2.95Å
106	R	53.8	Low	71.8	Confident	268 Å²	268	58.7 Å²	58.7	100%	1.011	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-17.4	173.7	-66.1	-176.8	-179.9	177.4	0.3	113.2
107	S	54.7	Low	71.5	Confident	117 Å²	117	54.8 Å²	54.8	82%	0.818	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-10.9	-173.3	58.7	0	0	0	0	115.1	S105	S105-S107 PolarHBondContact O-N 3.06Å; S105-S107 PolarHBondContact OG-N 3.24Å; S105-S107 PolarHBondContact OG-OG 2.89Å
108	S	54.2	Low	71.3	Confident	33 Å²	33	59.1 Å²	59.1	23%	0.231	32%	0.316	C	S	.	.			trans	-102.5	145.1	179	70.3	0	0	0	0	110.3	S105 Q110	S105-S108 PolarHBondContact O-N 2.83Å; S105-S108 WeakPolarHBondContact OG-CB 3.33Å; S105-S108 PolarHBondContact OG-N 3.14Å; S105-S108 PolarHBondContact OG-OG 2.95Å; S108-Q110 PolarHBondContact O-N 3.2Å; S108-Q110 VanDerWaalsContact O-N 3.14Å
109	S	59.4	Low	71	Confident	70 Å²	70	57 Å²	57	49%	0.49	30%	0.304	S	S	.	.			trans	-76.4	15.4	168.4	70.9	0	0	0	0	112.3	H111 N136	S109-H111 PolarHBondContact O-CD2 3.01Å; S109-H111 PolarHBondContact O-N 3.33Å; S109-N136 WeakPolarHBondContact CB-O 3.44Å; S109-N136 CarbonylContact O-C 3.51Å; S109-N136 VanDerWaalsContact O-C 3.22Å; S109-N136 WeakPolarHBondContact O-CA 3.17Å; S109-N136 PolarHBondContact OG-O 3.45Å
110	Q	64.1	Low	70.9	Confident	73 Å²	73	58.6 Å²	58.6	34%	0.341	31%	0.314	S	S	.	.			trans	-88.9	113.7	-172.7	-65.7	-170	-36.3	0	0	110.5	M104 S108 G135 N136	M104-Q110 HydrophobicContact CB-CB 4.47Å; M104-Q110 HydrophobicContact CE-CB 3.47Å; M104-Q110 VanDerWaalsContact CE-CB 3.47Å; M104-Q110 HydrophobicContact CE-CG 4.12Å; M104-Q110 PolarHBondContact N-O 2.95Å; M104-Q110 VanDerWaalsContact N-O 3.14Å; S108-Q110 PolarHBondContact O-N 3.2Å; S108-Q110 VanDerWaalsContact O-N 3.14Å; Q110-G135 WeakPolarHBondContact CA-O 3.08Å; Q110-N136 WeakPolarHBondContact CG-OD1 3.41Å; Q110-N136 PolarHBondContact NE2-OD1 2.87Å
111	H	68.2	Low	71	Confident	77 Å²	77	58.1 Å²	58.1	36%	0.356	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127.8	174.5	-61.5	-74.8	0	0	0	109	S109 G134 G135	S109-H111 PolarHBondContact O-CD2 3.01Å; S109-H111 PolarHBondContact O-N 3.33Å; H111-G134 VanDerWaalsContact O-CA 3.25Å; H111-G134 WeakPolarHBondContact O-CA 3.31Å; H111-G135 PolarHBondContact N-O 3.34Å; H111-G135 PolarHBondContact O-N 3.33Å
112	L	73.8	Confident	71.2	Confident	33 Å²	33	59.9 Å²	59.9	17%	0.173	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	147.9	168.3	-70.5	174.5	0	0	0	110.6	G101 L102 M104 I132 Y133	G101-L112 CarbonylContact C-O 3.51Å; G101-L112 WeakPolarHBondContact CA-O 3.27Å; L102-L112 HydrophobicContact CB-CB 4.27Å; L102-L112 PolarHBondContact N-O 2.8Å; L102-L112 PolarHBondContact O-N 3.27Å; M104-L112 HydrophobicContact CE-CD2 4.47Å; M104-L112 HydrophobicContact CE-CG 4.46Å; M104-L112 HydrophobicContact CG-CD1 3.27Å; M104-L112 HydrophobicContact CG-CD2 4.35Å; M104-L112 HydrophobicContact CG-CG 3.44Å; M104-L112 VanDerWaalsContact CG-CG 3.44Å; M104-L112 HydrophobicContact SD-CD1 3.51Å; M104-L112 VanDerWaalsContact SD-CD1 3.51Å; M104-L112 HydrophobicContact SD-CD2 4.09Å; M104-L112 HydrophobicContact SD-CG 3.79Å; L112-I132 HydrophobicContact CD1-CD1 4.12Å; L112-I132 HydrophobicContact CD2-CD1 4.26Å; L112-I132 HydrophobicContact CD2-CG1 4.19Å; L112-Y133 CarbonylContact C-O 3.46Å; L112-Y133 WeakPolarHBondContact CA-O 3.44Å; L112-Y133 WeakPolarHBondContact CD2-O 3.42Å
113	W	77	Confident	71.6	Confident	20 Å²	20	61.9 Å²	61.9	8%	0.076	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	87.7	172.2	-63.8	76.4	0	0	0	108.2	I99 D100 Y133 F142 A183 D186	I99-W113 HydrophobicContact CG2-CE3 4.06Å; D100-W113 WeakPolarHBondContact O-CA 3.27Å; W113-Y133 PolarHBondContact N-O 2.83Å; W113-Y133 WeakPolarHBondContact O-CD2 2.94Å; W113-Y133 PolarHBondContact O-N 3.48Å; W113-F142 HydrophobicContact CE3-CD2 4.44Å; W113-F142 HydrophobicContact CE3-CE2 4.35Å; W113-A183 HydrophobicContact CH2-CB 4.24Å; W113-A183 HydrophobicContact CZ3-CB 3.65Å; W113-D186 HydrophobicContact CH2-CB 4.04Å; W113-D186 VanDerWaalsContact CH2-OD2 3.31Å; W113-D186 WeakPolarHBondContact CH2-OD2 3.29Å
114	P	80.5	Confident	72.6	Confident	10 Å²	10	63.5 Å²	63.5	7%	0.065	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	136.3	166	28.7	-37.7	0	0	0	110.4	D100 L102 L116	D100-P114 VanDerWaalsContact O-CD 3.27Å; D100-P114 WeakPolarHBondContact O-CD 3.11Å; L102-P114 HydrophobicContact CD1-CG 3.68Å; L102-P114 HydrophobicContact CG-CG 4.06Å; P114-L116 HydrophobicContact CB-CD2 4.21Å; P114-L116 HydrophobicContact CB-CG 4.29Å
115	V	84.1	Confident	74.1	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.018	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	111.5	161	-175.8	0	0	0	0	105.9	N98 I99 I130 G131 Y133 T149	N98-V115 WeakPolarHBondContact O-CA 3.26Å; I99-V115 HydrophobicContact CG1-CG1 4.2Å; I99-V115 HydrophobicContact CG1-CG2 4.26Å; V115-I130 HydrophobicContact CB-CB 4.29Å; V115-I130 HydrophobicContact CG1-CB 3.97Å; V115-I130 HydrophobicContact CG1-CD1 4.22Å; V115-I130 HydrophobicContact CG1-CG2 4.24Å; V115-I130 WeakPolarHBondContact O-CA 3.1Å; V115-I130 WeakPolarHBondContact O-CB 3.42Å; V115-I130 PolarHBondContact O-N 3.27Å; V115-G131 PolarHBondContact N-O 3.3Å; V115-G131 PolarHBondContact O-N 2.99Å; V115-G131 VanDerWaalsContact O-N 3.09Å; V115-Y133 HydrophobicContact CG2-CD2 4.11Å; V115-Y133 HydrophobicContact CG2-CE2 3.73Å; V115-T149 HydrophobicContact CG1-CG2 4.21Å
116	L	87.5	Confident	75.5	Confident	45 Å²	45	63.1 Å²	63.1	24%	0.236	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	152	178	-54.5	178	0	0	0	109.2	N97 N98 P114 V127 F128 M129	N97-L116 CarbonylContact C-O 3.58Å; N97-L116 WeakPolarHBondContact CA-O 3.35Å; N98-L116 HydrophobicContact CB-CB 4.25Å; N98-L116 PolarHBondContact N-O 2.88Å; N98-L116 PolarHBondContact O-N 2.87Å; P114-L116 HydrophobicContact CB-CD2 4.21Å; P114-L116 HydrophobicContact CB-CG 4.29Å; L116-V127 HydrophobicContact CB-CG1 3.86Å; L116-V127 HydrophobicContact CD1-CG1 4.09Å; L116-V127 HydrophobicContact CG-CG1 4.4Å; L116-F128 CarbonylContact C-O 3.55Å; L116-F128 WeakPolarHBondContact CA-O 3.23Å; L116-M129 HydrophobicContact CD2-CB 4.25Å; L116-M129 HydrophobicContact CD2-CG 4.4Å
117	G	86.5	Confident	76.9	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	150	178.7	0	0	0	0	0	110.9	Y96 V127 F128	Y96-G117 CarbonylContact O-C 3.51Å; Y96-G117 VanDerWaalsContact O-CA 3.28Å; Y96-G117 WeakPolarHBondContact O-CA 3.09Å; G117-V127 WeakPolarHBondContact O-CA 3.44Å; G117-F128 PolarHBondContact N-O 2.76Å; G117-F128 VanDerWaalsContact O-CD1 3.28Å; G117-F128 WeakPolarHBondContact O-CD1 3.35Å; G117-F128 WeakPolarHBondContact O-CE1 3.38Å; G117-F128 PolarHBondContact O-N 2.89Å
118	R	87.5	Confident	78.1	Confident	92 Å²	92	50 Å²	50	35%	0.347	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	125.8	171.8	-169.6	178.1	-167.1	178.7	3.3	109.6	Y96 V120 S125	Y96-R118 PolarHBondContact N-O 2.9Å; Y96-R118 PolarHBondContact O-N 3.47Å; R118-V120 HydrophobicContact CG-CG1 4.37Å; R118-S125 WeakPolarHBondContact CG-O 3.45Å; R118-S125 PolarHBondContact NE-O 2.83Å
119	I	84.1	Confident	79.3	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.015	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	126.5	165.6	-51.9	-58.8	0	0	0	108.1	L19 V22 N93 E94 L95 A121 I123 S125 F128	L19-I119 HydrophobicContact CD2-CD1 4Å; L19-I119 HydrophobicContact CG-CD1 4.49Å; V22-I119 HydrophobicContact CG1-CG1 4.22Å; N93-I119 HydrophobicContact CB-CG2 4.43Å; E94-I119 CarbonylContact O-C 3.59Å; E94-I119 VanDerWaalsContact O-CA 3.32Å; E94-I119 WeakPolarHBondContact O-CA 3.43Å; L95-I119 HydrophobicContact CB-CD1 4.27Å; L95-I119 HydrophobicContact CD1-CD1 3.91Å; I119-A121 VanDerWaalsContact CG2-O 3.27Å; I119-A121 WeakPolarHBondContact CG2-O 3.41Å; I119-I123 CarbonylContact C-O 3.41Å; I119-S125 WeakPolarHBondContact CA-OG 3.42Å; I119-S125 WeakPolarHBondContact CB-OG 3.47Å; I119-S125 PolarHBondContact N-OG 3.19Å; I119-S125 PolarHBondContact O-N 2.84Å; I119-S125 PolarHBondContact O-OG 2.92Å; I119-F128 HydrophobicContact CG1-CE1 4.24Å
120	V	85.9	Confident	80.3	Confident	35 Å²	35	48.4 Å²	48.4	21%	0.212	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-21.1	-178.5	-62.1	0	0	0	0	113.5	E94 Y96 R118 L124	E94-V120 HydrophobicContact CB-CG2 3.59Å; E94-V120 PolarHBondContact O-N 3.46Å; Y96-V120 HydrophobicContact CD1-CG1 4.19Å; Y96-V120 HydrophobicContact CD1-CG2 3.84Å; Y96-V120 HydrophobicContact CD2-CG1 3.58Å; Y96-V120 HydrophobicContact CE1-CG1 4.39Å; Y96-V120 HydrophobicContact CE1-CG2 3.58Å; Y96-V120 HydrophobicContact CE2-CG1 3.8Å; Y96-V120 HydrophobicContact CE2-CG2 4.3Å; Y96-V120 HydrophobicContact CG-CG1 3.79Å; Y96-V120 HydrophobicContact CG-CG2 4.31Å; R118-V120 HydrophobicContact CG-CG1 4.37Å; V120-L124 HydrophobicContact CB-CD1 4.4Å; V120-L124 HydrophobicContact CG1-CD1 4.16Å
121	A	84.1	Confident	80.9	Confident	29 Å²	29	45 Å²	45	24%	0.24	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	145.6	172	0	0	0	0	0	109.5	N93 E94 I119 I123	N93-A121 CarbonylContact C-O 3.5Å; N93-A121 VanDerWaalsContact CA-O 3.29Å; N93-A121 WeakPolarHBondContact CA-O 3.32Å; E94-A121 HydrophobicContact CB-CB 4Å; E94-A121 HydrophobicContact CG-CB 4.01Å; E94-A121 PolarHBondContact N-O 2.86Å; I119-A121 VanDerWaalsContact CG2-O 3.27Å; I119-A121 WeakPolarHBondContact CG2-O 3.41Å; A121-I123 VanDerWaalsContact C-N 3.34Å
122	P	79.3	Confident	81.3	Confident	72 Å²	72	43.7 Å²	43.7	47%	0.468	23%	0.234	S	C	.	.	S	Bend	cis	-76.5	-16.6	-2.3	31.2	-35	0	0	0	113.6
123	I	76.2	Confident	81.3	Confident	127 Å²	127	43 Å²	43	65%	0.651	23%	0.229	S	C	*	.	S	Bend	trans	-115.1	133.8	-180	-60.2	169.6	0	0	0	108.9	I119 A121 S125	I119-I123 CarbonylContact C-O 3.41Å; A121-I123 VanDerWaalsContact C-N 3.34Å; I123-S125 PolarHBondContact O-N 2.82Å
124	L	81.2	Confident	80.8	Confident	107 Å²	107	44.5 Å²	44.5	56%	0.56	25%	0.251	S	S	*	.			trans	-76.1	104.7	170.2	-172.2	64.3	0	0	0	109.4	V120	V120-L124 HydrophobicContact CB-CD1 4.4Å; V120-L124 HydrophobicContact CG1-CD1 4.16Å
125	S	82	Confident	80	Confident	12 Å²	12	45.2 Å²	45.2	8%	0.084	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-84.8	168	176.6	63.2	0	0	0	0	112.8	V22 R118 I119 I123	V22-S125 VanDerWaalsContact CG1-CB 3.43Å; R118-S125 WeakPolarHBondContact CG-O 3.45Å; R118-S125 PolarHBondContact NE-O 2.83Å; I119-S125 WeakPolarHBondContact CA-OG 3.42Å; I119-S125 WeakPolarHBondContact CB-OG 3.47Å; I119-S125 PolarHBondContact N-OG 3.19Å; I119-S125 PolarHBondContact O-N 2.84Å; I119-S125 PolarHBondContact O-OG 2.92Å; I123-S125 PolarHBondContact O-N 2.82Å
126	D	82.4	Confident	78.9	Confident	99 Å²	99	49.8 Å²	49.8	53%	0.529	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-64.6	156.9	162.3	-61.9	-37.7	0	0	0	111.9	F128	D126-F128 WeakPolarHBondContact O-CD1 3.36Å; D126-F128 PolarHBondContact O-N 2.88Å
127	V	82.9	Confident	77.4	Confident	88 Å²	88	52.6 Å²	52.6	53%	0.533	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-71.2	128.2	171.4	-178.8	0	0	0	0	109.3	L116 G117	L116-V127 HydrophobicContact CB-CG1 3.86Å; L116-V127 HydrophobicContact CD1-CG1 4.09Å; L116-V127 HydrophobicContact CG-CG1 4.4Å; G117-V127 WeakPolarHBondContact O-CA 3.44Å
128	F	79.6	Confident	75.9	Confident	20 Å²	20	58 Å²	58	9%	0.088	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	152.8	176.5	55.6	-92.4	0	0	0	111.4	N18 L19 V22 L95 L116 G117 I119 D126 I130	N18-F128 HydrophobicContact CB-CB 4.43Å; N18-F128 HydrophobicContact CB-CD2 4.18Å; L19-F128 HydrophobicContact CD1-CE2 3.41Å; L19-F128 VanDerWaalsContact CD1-CE2 3.41Å; L19-F128 HydrophobicContact CD1-CZ 3.49Å; L19-F128 VanDerWaalsContact CD1-CZ 3.49Å; L19-F128 HydrophobicContact CG-CE2 4.1Å; L19-F128 HydrophobicContact CG-CZ 3.84Å; V22-F128 HydrophobicContact CG2-CD1 3.75Å; V22-F128 HydrophobicContact CG2-CE1 4.23Å; V22-F128 HydrophobicContact CG2-CG 4.33Å; L95-F128 HydrophobicContact CD1-CZ 3.82Å; L116-F128 CarbonylContact C-O 3.55Å; L116-F128 WeakPolarHBondContact CA-O 3.23Å; G117-F128 PolarHBondContact N-O 2.76Å; G117-F128 VanDerWaalsContact O-CD1 3.28Å; G117-F128 WeakPolarHBondContact O-CD1 3.35Å; G117-F128 WeakPolarHBondContact O-CE1 3.38Å; G117-F128 PolarHBondContact O-N 2.89Å; I119-F128 HydrophobicContact CG1-CE1 4.24Å; D126-F128 WeakPolarHBondContact O-CD1 3.36Å; D126-F128 PolarHBondContact O-N 2.88Å; F128-I130 HydrophobicContact CD2-CG1 4.06Å; F128-I130 HydrophobicContact CE2-CD1 4.24Å; F128-I130 HydrophobicContact CE2-CG1 3.74Å
129	M	79.8	Confident	74.2	Confident	67 Å²	67	54.5 Å²	54.5	33%	0.33	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.6	176.6	-173.8	177.4	-67.4	0	0	110.4	N18 L116 I132	N18-M129 PolarHBondContact ND2-O 2.78Å; L116-M129 HydrophobicContact CD2-CB 4.25Å; L116-M129 HydrophobicContact CD2-CG 4.4Å; M129-I132 HydrophobicContact SD-CB 4.01Å; M129-I132 HydrophobicContact SD-CG2 4.14Å
130	I	79.6	Confident	72.8	Confident	3 Å²	3	59 Å²	59	2%	0.015	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-49.8	172.2	-62.6	176.3	0	0	0	109.2	A15 N97 V115 F128 T149	A15-I130 HydrophobicContact CB-CG2 3.68Å; N97-I130 WeakPolarHBondContact OD1-CD1 3.46Å; V115-I130 HydrophobicContact CB-CB 4.29Å; V115-I130 HydrophobicContact CG1-CB 3.97Å; V115-I130 HydrophobicContact CG1-CD1 4.22Å; V115-I130 HydrophobicContact CG1-CG2 4.24Å; V115-I130 WeakPolarHBondContact O-CA 3.1Å; V115-I130 WeakPolarHBondContact O-CB 3.42Å; V115-I130 PolarHBondContact O-N 3.27Å; F128-I130 HydrophobicContact CD2-CG1 4.06Å; F128-I130 HydrophobicContact CE2-CD1 4.24Å; F128-I130 HydrophobicContact CE2-CG1 3.74Å; I130-T149 HydrophobicContact CG2-CG2 3.46Å; I130-T149 VanDerWaalsContact CG2-CG2 3.46Å
131	G	76.2	Confident	72	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.01	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	160.3	-177.4	0	0	0	0	0	111.4	V115	V115-G131 PolarHBondContact N-O 3.3Å; V115-G131 PolarHBondContact O-N 2.99Å; V115-G131 VanDerWaalsContact O-N 3.09Å
132	I	76	Confident	71.8	Confident	50 Å²	50	61.7 Å²	61.7	26%	0.256	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	121.8	168.9	-171.9	171.9	0	0	0	108.7	F11 L112 M129	F11-I132 WeakPolarHBondContact CE2-O 3.28Å; F11-I132 VanDerWaalsContact CZ-O 3.31Å; F11-I132 WeakPolarHBondContact CZ-O 3.5Å; L112-I132 HydrophobicContact CD1-CD1 4.12Å; L112-I132 HydrophobicContact CD2-CD1 4.26Å; L112-I132 HydrophobicContact CD2-CG1 4.19Å; M129-I132 HydrophobicContact SD-CB 4.01Å; M129-I132 HydrophobicContact SD-CG2 4.14Å
133	Y	73.9	Confident	72.1	Confident	19 Å²	19	59.9 Å²	59.9	8%	0.075	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	152.5	179.8	-56.1	-75.7	0	0	0	110.4	F11 L112 W113 V115 I145 S146 T149	F11-Y133 HydrophobicContact CD1-CE1 4.31Å; F11-Y133 HydrophobicContact CE1-CD1 4.24Å; F11-Y133 AromaticContact CE1-CE1 3.37Å; F11-Y133 HydrophobicContact CE1-CE1 3.37Å; F11-Y133 HydrophobicContact CE1-CE2 4.32Å; F11-Y133 AromaticContact CE1-CZ 3.46Å; F11-Y133 VanDerWaalsContact CE1-CZ 3.46Å; F11-Y133 WeakPolarHBondContact CE1-OH 3.36Å; F11-Y133 HydrophobicContact CE2-CD1 4.06Å; F11-Y133 AromaticContact CE2-CE1 3.92Å; F11-Y133 HydrophobicContact CE2-CE1 3.92Å; F11-Y133 AromaticContact CZ-CD1 3.53Å; F11-Y133 HydrophobicContact CZ-CD1 3.53Å; F11-Y133 HydrophobicContact CZ-CD2 4.49Å; F11-Y133 AromaticContact CZ-CE1 3.12Å; F11-Y133 HydrophobicContact CZ-CE1 3.12Å; F11-Y133 HydrophobicContact CZ-CE2 4.18Å; F11-Y133 HydrophobicContact CZ-CG 4.22Å; F11-Y133 AromaticContact CZ-CZ 3.53Å; L112-Y133 CarbonylContact C-O 3.46Å; L112-Y133 WeakPolarHBondContact CA-O 3.44Å; L112-Y133 WeakPolarHBondContact CD2-O 3.42Å; W113-Y133 PolarHBondContact N-O 2.83Å; W113-Y133 WeakPolarHBondContact O-CD2 2.94Å; W113-Y133 PolarHBondContact O-N 3.48Å; V115-Y133 HydrophobicContact CG2-CD2 4.11Å; V115-Y133 HydrophobicContact CG2-CE2 3.73Å; Y133-I145 HydrophobicContact CD1-CG2 3.37Å; Y133-I145 WeakPolarHBondContact CD1-O 3.35Å; Y133-I145 HydrophobicContact CD2-CG2 4.3Å; Y133-I145 HydrophobicContact CE1-CG2 4.15Å; Y133-I145 WeakPolarHBondContact CE1-O 3.37Å; Y133-I145 HydrophobicContact CG-CG2 3.42Å; Y133-I145 VanDerWaalsContact CG-CG2 3.42Å; Y133-S146 PolarHBondContact OH-O 3.41Å; Y133-T149 WeakPolarHBondContact OH-CB 3.44Å; Y133-T149 PolarHBondContact OH-N 2.98Å; Y133-T149 PolarHBondContact OH-OG1 2.81Å
134	G	67.5	Low	72.3	Confident	52 Å²	52	60.3 Å²	60.3	54%	0.536	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	141.6	-178.3	0	0	0	0	0	112.2	H111	H111-G134 VanDerWaalsContact O-CA 3.25Å; H111-G134 WeakPolarHBondContact O-CA 3.31Å
135	G	64.5	Low	72.1	Confident	25 Å²	25	58 Å²	58	26%	0.258	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	157.5	177.4	0	0	0	0	0	112.9	Q110 H111 T137	Q110-G135 WeakPolarHBondContact CA-O 3.08Å; H111-G135 PolarHBondContact N-O 3.34Å; H111-G135 PolarHBondContact O-N 3.33Å; G135-T137 PolarHBondContact O-N 2.88Å
136	N	60.1	Low	72.1	Confident	99 Å²	99	57.5 Å²	57.5	53%	0.529	33%	0.329	S	S	.	.	S	Bend	trans	-77.6	-9.6	177.6	-69.5	-5.5	0	0	0	113.2	S109 Q110	S109-N136 WeakPolarHBondContact CB-O 3.44Å; S109-N136 CarbonylContact O-C 3.51Å; S109-N136 VanDerWaalsContact O-C 3.22Å; S109-N136 WeakPolarHBondContact O-CA 3.17Å; S109-N136 PolarHBondContact OG-O 3.45Å; Q110-N136 WeakPolarHBondContact CG-OD1 3.41Å; Q110-N136 PolarHBondContact NE2-OD1 2.87Å
137	T	56	Low	72.2	Confident	103 Å²	103	54.6 Å²	54.6	63%	0.632	32%	0.319	S	S	*	.	S	Bend	trans	-132.4	150.3	177.9	52	0	0	0	0	107.9	G135	G135-T137 PolarHBondContact O-N 2.88Å
138	K	55	Low	72.1	Confident	114 Å²	114	52.9 Å²	52.9	50%	0.496	31%	0.305	S	S	.	.	S	Bend	trans	-44.7	130.3	164	-170.8	174.8	-179.1	179.3	0	107.6	A140 D186	K138-A140 PolarHBondContact O-N 3.01Å; K138-D186 WeakPolarHBondContact CE-OD1 3.36Å; K138-D186 WeakPolarHBondContact CE-OD2 3.42Å; K138-D186 VanDerWaalsContact NZ-CG 3.27Å; K138-D186 IonicContact NZ-OD1 2.69Å; K138-D186 PolarHBondContact NZ-OD1 2.93Å; K138-D186 IonicContact NZ-OD2 3.03Å; K138-D186 PolarHBondContact NZ-OD2 3.29Å
139	P	52.1	Low	72.2	Confident	19 Å²	19	52 Å²	52	12%	0.123	30%	0.301	C	S	.	.			trans	-48.4	115	-176.9	-26.8	33.6	0	0	0	108.5	Q141 I145	P139-Q141 PolarHBondContact O-N 2.81Å; P139-I145 HydrophobicContact CB-CD1 3.51Å; P139-I145 HydrophobicContact CB-CG1 4.16Å; P139-I145 HydrophobicContact CG-CD1 3.8Å
140	A	54.5	Low	72.5	Confident	97 Å²	97	49 Å²	49	80%	0.802	29%	0.286	S	S	*	.	S	Bend	trans	-58.4	-23	179.2	0	0	0	0	0	110.3	K138	K138-A140 PolarHBondContact O-N 3.01Å
141	Q	69	Low	72.9	Confident	109 Å²	109	52.3 Å²	52.3	51%	0.509	31%	0.31	S	S	.	.			trans	-145.5	116.9	158.2	-61.9	-173.2	-30.1	0	0	109.6	P139 N143 E144	P139-Q141 PolarHBondContact O-N 2.81Å; Q141-N143 PolarHBondContact O-N 2.92Å; Q141-E144 HydrophobicContact CB-CG 4.06Å; Q141-E144 PolarHBondContact O-N 3.48Å; Q141-E144 VanDerWaalsContact O-N 3.15Å; Q141-E144 PolarHBondContact OE1-OE1 3.09Å
142	F	79.1	Confident	73.2	Confident	13 Å²	13	53.3 Å²	53.3	6%	0.057	31%	0.314	C	S	.	.	H	α-helix	trans	-52.4	-35.3	172.4	171.6	-85.7	0	0	0	111.4	I99 W113 E144 I145 S146 V187 F243	I99-F142 HydrophobicContact CD1-CZ 4.24Å; I99-F142 HydrophobicContact CG2-CE2 4.07Å; I99-F142 HydrophobicContact CG2-CZ 4.4Å; W113-F142 HydrophobicContact CE3-CD2 4.44Å; W113-F142 HydrophobicContact CE3-CE2 4.35Å; F142-E144 PolarHBondContact O-N 2.76Å; F142-I145 PolarHBondContact O-N 3.28Å; F142-S146 WeakPolarHBondContact CD1-OG 2.87Å; F142-S146 WeakPolarHBondContact CE1-OG 3.4Å; F142-S146 VanDerWaalsContact O-CB 3.25Å; F142-S146 WeakPolarHBondContact O-CB 3.47Å; F142-S146 PolarHBondContact O-N 3.3Å; F142-S146 PolarHBondContact O-OG 3.47Å; F142-V187 HydrophobicContact CD1-CG2 4.46Å; F142-V187 HydrophobicContact CD2-CG2 4.25Å; F142-V187 HydrophobicContact CE1-CB 4.29Å; F142-V187 HydrophobicContact CE1-CG1 4.22Å; F142-V187 HydrophobicContact CE1-CG2 3.98Å; F142-V187 HydrophobicContact CE2-CG2 3.72Å; F142-V187 HydrophobicContact CZ-CB 4.38Å; F142-V187 HydrophobicContact CZ-CG1 4.45Å; F142-V187 HydrophobicContact CZ-CG2 3.59Å; F142-F243 HydrophobicContact CE1-CD2 4.27Å; F142-F243 AromaticContact CE1-CE2 3.74Å; F142-F243 HydrophobicContact CE1-CE2 3.74Å; F142-F243 HydrophobicContact CZ-CE2 4.08Å
143	N	86.3	Confident	73.6	Confident	34 Å²	34	51 Å²	51	18%	0.182	30%	0.302	C	S	.	.	H	α-helix	trans	-51.8	-50.7	174.9	-71.4	-8	0	0	0	113.2	Q141 I145 S146 A147 H240 I242	Q141-N143 PolarHBondContact O-N 2.92Å; N143-I145 VanDerWaalsContact C-N 3.34Å; N143-I145 PolarHBondContact O-N 3.33Å; N143-S146 PolarHBondContact O-N 2.91Å; N143-S146 PolarHBondContact O-OG 3Å; N143-A147 WeakPolarHBondContact O-CA 3.44Å; N143-A147 VanDerWaalsContact O-CB 3.26Å; N143-A147 WeakPolarHBondContact O-CB 3.5Å; N143-A147 PolarHBondContact O-N 2.94Å; N143-H240 PolarHBondContact ND2-O 3.04Å; N143-I242 HydrophobicContact CB-CB 4.24Å; N143-I242 HydrophobicContact CB-CG2 4.44Å; N143-I242 WeakPolarHBondContact OD1-CG2 3.32Å; N143-I242 PolarHBondContact OD1-N 2.82Å
144	E	81.6	Confident	74.2	Confident	135 Å²	135	53.7 Å²	53.7	63%	0.631	31%	0.314	S	S	*	.	H	α-helix	trans	-62.6	-43.4	-177.3	-69.5	-178.7	178.9	0	0	112.1	Q141 F142	Q141-E144 HydrophobicContact CB-CG 4.06Å; Q141-E144 PolarHBondContact O-N 3.48Å; Q141-E144 VanDerWaalsContact O-N 3.15Å; Q141-E144 PolarHBondContact OE1-OE1 3.09Å; F142-E144 PolarHBondContact O-N 2.76Å
145	I	76.8	Confident	75	Confident	59 Å²	59	57.5 Å²	57.5	30%	0.303	32%	0.318	S	S	.	.	H	α-helix	trans	-70.8	-43.1	-176	-63.6	-163.9	0	0	0	110.4	Y133 P139 F142 N143	Y133-I145 HydrophobicContact CD1-CG2 3.37Å; Y133-I145 WeakPolarHBondContact CD1-O 3.35Å; Y133-I145 HydrophobicContact CD2-CG2 4.3Å; Y133-I145 HydrophobicContact CE1-CG2 4.15Å; Y133-I145 WeakPolarHBondContact CE1-O 3.37Å; Y133-I145 HydrophobicContact CG-CG2 3.42Å; Y133-I145 VanDerWaalsContact CG-CG2 3.42Å; P139-I145 HydrophobicContact CB-CD1 3.51Å; P139-I145 HydrophobicContact CB-CG1 4.16Å; P139-I145 HydrophobicContact CG-CD1 3.8Å; F142-I145 PolarHBondContact O-N 3.28Å; N143-I145 VanDerWaalsContact C-N 3.34Å; N143-I145 PolarHBondContact O-N 3.33Å
146	S	81.7	Confident	75.8	Confident	2 Å²	2	57 Å²	57	1%	0.014	31%	0.309	C	S	.	.	H	α-helix	trans	-81.3	-14.8	-177.2	66.6	0	0	0	0	114.2	Y133 F142 N143 H148 T149 I150	Y133-S146 PolarHBondContact OH-O 3.41Å; F142-S146 WeakPolarHBondContact CD1-OG 2.87Å; F142-S146 WeakPolarHBondContact CE1-OG 3.4Å; F142-S146 VanDerWaalsContact O-CB 3.25Å; F142-S146 WeakPolarHBondContact O-CB 3.47Å; F142-S146 PolarHBondContact O-N 3.3Å; F142-S146 PolarHBondContact O-OG 3.47Å; N143-S146 PolarHBondContact O-N 2.91Å; N143-S146 PolarHBondContact O-OG 3Å; S146-H148 PolarHBondContact O-N 3.42Å; S146-T149 PolarHBondContact O-N 3.06Å; S146-I150 WeakPolarHBondContact O-CG1 3.42Å; S146-I150 PolarHBondContact O-N 3.09Å
147	A	85	Confident	77	Confident	38 Å²	38	53.6 Å²	53.6	31%	0.314	29%	0.292	S	S	.	.	H	α-helix	trans	-49.5	-40.2	-167.9	0	0	0	0	0	114.5	N143 S151 I242	N143-A147 WeakPolarHBondContact O-CA 3.44Å; N143-A147 VanDerWaalsContact O-CB 3.26Å; N143-A147 WeakPolarHBondContact O-CB 3.5Å; N143-A147 PolarHBondContact O-N 2.94Å; A147-S151 WeakPolarHBondContact O-CB 3.48Å; A147-S151 PolarHBondContact O-N 2.83Å; A147-I242 VanDerWaalsContact CA-CD1 3.47Å; A147-I242 HydrophobicContact CB-CD1 3.62Å
148	H	79.2	Confident	78.4	Confident	52 Å²	52	52.1 Å²	52.1	24%	0.241	28%	0.28	C	S	.	.	H	α-helix	trans	-65.6	-49.2	178.2	-177.7	-79.1	0	0	0	113	F11 R12 S146 I150 S151 E152	F11-H148 AromaticContact CD1-ND1 3.78Å; R12-H148 WeakPolarHBondContact CA-CE1 3.32Å; R12-H148 WeakPolarHBondContact CA-NE2 3.5Å; R12-H148 WeakPolarHBondContact CG-NE2 3.28Å; R12-H148 PolarHBondContact N-CE1 3.21Å; S146-H148 PolarHBondContact O-N 3.42Å; H148-I150 VanDerWaalsContact C-N 3.3Å; H148-I150 PolarHBondContact O-N 3.45Å; H148-S151 PolarHBondContact O-N 3.08Å; H148-E152 IonicContact CE1-OE1 2.95Å; H148-E152 PolarHBondContact CE1-OE1 3.13Å; H148-E152 IonicContact CE1-OE2 3.82Å; H148-E152 IonicContact ND1-OE1 3.91Å; H148-E152 IonicContact ND1-OE2 2.89Å; H148-E152 PolarHBondContact O-N 3.23Å
149	T	81.7	Confident	79.6	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-67.9	-34.6	178.9	-76.3	0	0	0	0	111.1	V115 I130 Y133 S146 E152 I153	V115-T149 HydrophobicContact CG1-CG2 4.21Å; I130-T149 HydrophobicContact CG2-CG2 3.46Å; I130-T149 VanDerWaalsContact CG2-CG2 3.46Å; Y133-T149 WeakPolarHBondContact OH-CB 3.44Å; Y133-T149 PolarHBondContact OH-N 2.98Å; Y133-T149 PolarHBondContact OH-OG1 2.81Å; S146-T149 PolarHBondContact O-N 3.06Å; T149-E152 PolarHBondContact O-N 3.31Å; T149-I153 HydrophobicContact CG2-CD1 3.66Å; T149-I153 HydrophobicContact CG2-CG1 4.32Å; T149-I153 WeakPolarHBondContact O-CB 3.4Å; T149-I153 VanDerWaalsContact O-CG1 3.28Å; T149-I153 WeakPolarHBondContact O-CG1 3.46Å; T149-I153 PolarHBondContact O-N 2.97Å
150	I	87.5	Confident	80.8	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-67.5	-38.1	175.5	-55.3	-54.5	0	0	0	111.4	S146 H148 E152 I153 K154 I242 F243 L246	S146-I150 WeakPolarHBondContact O-CG1 3.42Å; S146-I150 PolarHBondContact O-N 3.09Å; H148-I150 VanDerWaalsContact C-N 3.3Å; H148-I150 PolarHBondContact O-N 3.45Å; I150-E152 VanDerWaalsContact C-N 3.35Å; I150-E152 PolarHBondContact O-N 2.82Å; I150-I153 HydrophobicContact CD1-CD1 4.14Å; I150-I153 PolarHBondContact O-N 2.79Å; I150-K154 WeakPolarHBondContact O-CB 3.2Å; I150-K154 PolarHBondContact O-N 3.16Å; I150-I242 HydrophobicContact CB-CG1 4.16Å; I150-I242 HydrophobicContact CB-CG2 4.31Å; I150-I242 HydrophobicContact CG1-CG2 3.79Å; I150-I242 HydrophobicContact CG2-CG1 3.91Å; I150-I242 HydrophobicContact CG2-CG2 4.3Å; I150-F243 HydrophobicContact CD1-CD1 4.45Å; I150-F243 HydrophobicContact CD1-CD2 4.03Å; I150-F243 HydrophobicContact CD1-CE1 3.85Å; I150-F243 HydrophobicContact CD1-CE2 3.35Å; I150-F243 HydrophobicContact CD1-CZ 3.24Å; I150-F243 HydrophobicContact CG1-CE2 4.14Å; I150-F243 HydrophobicContact CG1-CZ 4.45Å; I150-L246 HydrophobicContact CG2-CD1 4.16Å; I150-L246 HydrophobicContact CG2-CD2 4.09Å; I150-L246 HydrophobicContact CG2-CG 4.08Å
151	S	86.5	Confident	81.8	Confident	73 Å²	73	47.3 Å²	47.3	51%	0.51	25%	0.246	S	C	.	.	H	α-helix	trans	-62	-40.3	171.9	-172.3	0	0	0	0	112.5	A147 H148 K154 E155	A147-S151 WeakPolarHBondContact O-CB 3.48Å; A147-S151 PolarHBondContact O-N 2.83Å; H148-S151 PolarHBondContact O-N 3.08Å; S151-K154 PolarHBondContact O-N 3.26Å; S151-E155 PolarHBondContact O-N 2.84Å
152	E	82.6	Confident	81.9	Confident	22 Å²	22	45.8 Å²	45.8	10%	0.103	24%	0.241	C	C	.	.	H	α-helix	trans	-66.4	-42.5	175.8	-71.9	-178.4	149.2	0	0	111.5	A15 H148 T149 I150 K154 E155 M156	A15-E152 VanDerWaalsContact CB-OE2 3.26Å; A15-E152 WeakPolarHBondContact CB-OE2 3.2Å; H148-E152 IonicContact CE1-OE1 2.95Å; H148-E152 PolarHBondContact CE1-OE1 3.13Å; H148-E152 IonicContact CE1-OE2 3.82Å; H148-E152 IonicContact ND1-OE1 3.91Å; H148-E152 IonicContact ND1-OE2 2.89Å; H148-E152 PolarHBondContact O-N 3.23Å; T149-E152 PolarHBondContact O-N 3.31Å; I150-E152 VanDerWaalsContact C-N 3.35Å; I150-E152 PolarHBondContact O-N 2.82Å; E152-K154 VanDerWaalsContact C-N 3.3Å; E152-K154 PolarHBondContact O-N 2.85Å; E152-E155 PolarHBondContact O-N 2.94Å; E152-M156 VanDerWaalsContact O-CB 3.23Å; E152-M156 WeakPolarHBondContact O-CB 3.35Å; E152-M156 PolarHBondContact O-N 2.92Å
153	I	84.9	Confident	81.4	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-61.5	-42.7	175.4	-71	162.3	0	0	0	110.1	N97 T149 I150 M156 T157 L174 L246	N97-I153 VanDerWaalsContact ND2-CD1 3.35Å; N97-I153 WeakPolarHBondContact ND2-CD1 3.28Å; T149-I153 HydrophobicContact CG2-CD1 3.66Å; T149-I153 HydrophobicContact CG2-CG1 4.32Å; T149-I153 WeakPolarHBondContact O-CB 3.4Å; T149-I153 VanDerWaalsContact O-CG1 3.28Å; T149-I153 WeakPolarHBondContact O-CG1 3.46Å; T149-I153 PolarHBondContact O-N 2.97Å; I150-I153 HydrophobicContact CD1-CD1 4.14Å; I150-I153 PolarHBondContact O-N 2.79Å; I153-M156 HydrophobicContact CG1-CE 4.42Å; I153-M156 WeakPolarHBondContact O-CB 3.42Å; I153-M156 PolarHBondContact O-N 2.66Å; I153-T157 HydrophobicContact CG2-CG2 4.29Å; I153-T157 WeakPolarHBondContact O-CG2 3.45Å; I153-T157 PolarHBondContact O-N 2.76Å; I153-T157 PolarHBondContact O-OG1 3.36Å; I153-T157 VanDerWaalsContact O-OG1 3.13Å; I153-L174 HydrophobicContact CG2-CD2 4.09Å; I153-L246 HydrophobicContact CG2-CD1 4.05Å; I153-L246 HydrophobicContact CG2-CD2 4.18Å
154	K	87.4	Confident	80.6	Confident	75 Å²	75	47.3 Å²	47.3	33%	0.326	25%	0.252	S	S	.	.	H	α-helix	trans	-59.9	-51.8	177.4	-174.1	170.2	176.7	157.1	0	112.2	I150 S151 E152 M156 T157 D158 S245 L246	I150-K154 WeakPolarHBondContact O-CB 3.2Å; I150-K154 PolarHBondContact O-N 3.16Å; S151-K154 PolarHBondContact O-N 3.26Å; E152-K154 VanDerWaalsContact C-N 3.3Å; E152-K154 PolarHBondContact O-N 2.85Å; K154-M156 PolarHBondContact O-N 2.76Å; K154-T157 WeakPolarHBondContact CA-OG1 3.14Å; K154-T157 PolarHBondContact O-N 2.71Å; K154-T157 PolarHBondContact O-OG1 2.94Å; K154-D158 WeakPolarHBondContact CE-OD2 3.41Å; K154-D158 WeakPolarHBondContact CG-OD2 3.27Å; K154-D158 WeakPolarHBondContact O-CB 3.33Å; K154-D158 PolarHBondContact O-N 3.49Å; K154-S245 WeakPolarHBondContact CE-O 3.27Å; K154-S245 PolarHBondContact NZ-O 2.88Å; K154-L246 HydrophobicContact CB-CD2 3.48Å; K154-L246 VanDerWaalsContact CB-CD2 3.48Å; K154-L246 HydrophobicContact CG-CD2 4.05Å
155	E	82.9	Confident	80	Confident	132 Å²	132	49.3 Å²	49.3	62%	0.617	25%	0.254	S	S	*	.	H	α-helix	trans	-56.7	-42.1	177.5	-176	-179.4	176	0	0	110.7	S151 E152 M159	S151-E155 PolarHBondContact O-N 2.84Å; E152-E155 PolarHBondContact O-N 2.94Å; E155-M159 VanDerWaalsContact O-CB 3.29Å; E155-M159 WeakPolarHBondContact O-CB 3.48Å; E155-M159 PolarHBondContact O-N 2.91Å
156	M	81.7	Confident	79.8	Confident	15 Å²	15	52.4 Å²	52.4	7%	0.074	27%	0.265	C	S	.	.	H	α-helix	trans	-67	-39	178.6	-178.4	176.4	68.4	0	0	113.3	L19 L95 E152 I153 K154 G160 L161 I172	L19-M156 HydrophobicContact CD1-CE 4.25Å; L19-M156 HydrophobicContact CD1-SD 3.84Å; L19-M156 HydrophobicContact CD2-SD 3.69Å; L19-M156 HydrophobicContact CG-SD 4.32Å; L95-M156 HydrophobicContact CD2-CE 3.41Å; L95-M156 VanDerWaalsContact CD2-CE 3.41Å; E152-M156 VanDerWaalsContact O-CB 3.23Å; E152-M156 WeakPolarHBondContact O-CB 3.35Å; E152-M156 PolarHBondContact O-N 2.92Å; I153-M156 HydrophobicContact CG1-CE 4.42Å; I153-M156 WeakPolarHBondContact O-CB 3.42Å; I153-M156 PolarHBondContact O-N 2.66Å; K154-M156 PolarHBondContact O-N 2.76Å; M156-G160 WeakPolarHBondContact O-CA 3.5Å; M156-G160 PolarHBondContact O-N 3.43Å; M156-L161 HydrophobicContact CG-CD2 3.98Å; M156-L161 HydrophobicContact CG-CG 4Å; M156-L161 HydrophobicContact SD-CD1 4.24Å; M156-L161 HydrophobicContact SD-CD2 4.32Å; M156-L161 HydrophobicContact SD-CG 4.3Å; M156-I172 HydrophobicContact CE-CG2 4.03Å; M156-I172 HydrophobicContact CG-CB 4.06Å; M156-I172 HydrophobicContact CG-CD1 3.62Å; M156-I172 HydrophobicContact CG-CG1 4.25Å; M156-I172 HydrophobicContact CG-CG2 4.22Å; M156-I172 HydrophobicContact SD-CD1 3.66Å; M156-I172 HydrophobicContact SD-CG2 4.3Å
157	T	85	Confident	79.5	Confident	27 Å²	27	58 Å²	58	17%	0.166	30%	0.295	C	S	.	.	H	α-helix	trans	-74.4	-35.5	176.9	52.2	0	0	0	0	112.3	I153 K154 L174	I153-T157 HydrophobicContact CG2-CG2 4.29Å; I153-T157 WeakPolarHBondContact O-CG2 3.45Å; I153-T157 PolarHBondContact O-N 2.76Å; I153-T157 PolarHBondContact O-OG1 3.36Å; I153-T157 VanDerWaalsContact O-OG1 3.13Å; K154-T157 WeakPolarHBondContact CA-OG1 3.14Å; K154-T157 PolarHBondContact O-N 2.71Å; K154-T157 PolarHBondContact O-OG1 2.94Å; T157-L174 HydrophobicContact CG2-CB 4.2Å
158	D	85.4	Confident	79	Confident	72 Å²	72	59 Å²	59	39%	0.385	29%	0.292	S	S	.	.	H	α-helix	trans	-77.4	-44.2	-177.2	-67.3	-9.2	0	0	0	111.4	K154	K154-D158 WeakPolarHBondContact CE-OD2 3.41Å; K154-D158 WeakPolarHBondContact CG-OD2 3.27Å; K154-D158 WeakPolarHBondContact O-CB 3.33Å; K154-D158 PolarHBondContact O-N 3.49Å
159	M	80.8	Confident	78.8	Confident	109 Å²	109	59.8 Å²	59.8	54%	0.537	29%	0.294	S	S	.	.	H	α-helix	trans	-100.6	-24.3	-173.9	-60.2	-61.8	-65	0	0	113.7	E155 Y169	E155-M159 VanDerWaalsContact O-CB 3.29Å; E155-M159 WeakPolarHBondContact O-CB 3.48Å; E155-M159 PolarHBondContact O-N 2.91Å; M159-Y169 WeakPolarHBondContact O-CD1 3.33Å
160	G	76.5	Confident	78.6	Confident	10 Å²	10	60.2 Å²	60.2	10%	0.103	30%	0.296	C	S	.	.			trans	77.2	-179.9	-165.8	0	0	0	0	0	113	M156 I170	M156-G160 WeakPolarHBondContact O-CA 3.5Å; M156-G160 PolarHBondContact O-N 3.43Å; G160-I170 CarbonylContact C-O 3.57Å; G160-I170 WeakPolarHBondContact CA-O 3.41Å
161	L	75.3	Confident	78.4	Confident	10 Å²	10	60.7 Å²	60.7	5%	0.052	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	129.9	173.6	-70	-174.9	0	0	0	112	T16 L19 L23 M156 S163 Y169 I170 I172	T16-L161 HydrophobicContact CG2-CD2 3.55Å; L19-L161 HydrophobicContact CB-CD1 3.68Å; L19-L161 HydrophobicContact CD2-CD1 3.46Å; L19-L161 VanDerWaalsContact CD2-CD1 3.46Å; L19-L161 HydrophobicContact CG-CD1 4.2Å; L23-L161 HydrophobicContact CD1-CD1 3.91Å; M156-L161 HydrophobicContact CG-CD2 3.98Å; M156-L161 HydrophobicContact CG-CG 4Å; M156-L161 HydrophobicContact SD-CD1 4.24Å; M156-L161 HydrophobicContact SD-CD2 4.32Å; M156-L161 HydrophobicContact SD-CG 4.3Å; L161-S163 PolarHBondContact O-N 3.14Å; L161-Y169 CarbonylContact O-C 3.58Å; L161-Y169 WeakPolarHBondContact O-CA 3.19Å; L161-I170 PolarHBondContact N-O 3.05Å; L161-I170 PolarHBondContact O-N 3.47Å; L161-I172 HydrophobicContact CB-CD1 4.28Å; L161-I172 HydrophobicContact CD1-CD1 3.5Å; L161-I172 HydrophobicContact CG-CD1 3.55Å
162	L	71.9	Confident	78.2	Confident	77 Å²	77	57.5 Å²	57.5	40%	0.403	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	110.6	172.5	-179.9	64.1	0	0	0	110.6	V164 Y169	L162-V164 PolarHBondContact O-N 3.05Å; L162-Y169 HydrophobicContact CB-CD1 4.29Å; L162-Y169 HydrophobicContact CB-CE1 3.97Å; L162-Y169 HydrophobicContact CD1-CD2 4.22Å; L162-Y169 HydrophobicContact CD1-CE2 3.96Å
163	S	69.5	Low	78.6	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	109.7	165.5	-175.9	0	0	0	0	110.1	C25 L161 R165 F166 N167 K168	C25-S163 VanDerWaalsContact SG-CB 3.59Å; C25-S163 PolarHBondContact SG-OG 2.75Å; L161-S163 PolarHBondContact O-N 3.14Å; S163-R165 PolarHBondContact O-N 3.49Å; S163-F166 PolarHBondContact O-N 2.98Å; S163-F166 VanDerWaalsContact OG-CD2 3.3Å; S163-F166 WeakPolarHBondContact OG-CD2 3.25Å; S163-F166 PolarHBondContact OG-N 3.15Å; S163-N167 WeakPolarHBondContact O-CA 3.26Å; S163-N167 PolarHBondContact O-N 3.42Å; S163-K168 WeakPolarHBondContact CB-O 3.4Å; S163-K168 PolarHBondContact N-O 3.43Å; S163-K168 PolarHBondContact O-N 3.31Å
164	V	68.3	Low	78.9	Confident	79 Å²	79	61.7 Å²	61.7	48%	0.479	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-32.7	173.7	-177.5	0	0	0	0	111.2	L162	L162-V164 PolarHBondContact O-N 3.05Å
165	R	69.3	Low	79.3	Confident	177 Å²	177	60 Å²	60	67%	0.668	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-42.8	-179.6	178	-178.8	-78.1	-163.4	-3.4	111.5	S163	S163-R165 PolarHBondContact O-N 3.49Å
166	F	72.7	Confident	79.8	Confident	123 Å²	123	54 Å²	54	54%	0.539	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-4.5	-176.9	-57.4	-66.3	0	0	0	113.3	S163 K168	S163-F166 PolarHBondContact O-N 2.98Å; S163-F166 VanDerWaalsContact OG-CD2 3.3Å; S163-F166 WeakPolarHBondContact OG-CD2 3.25Å; S163-F166 PolarHBondContact OG-N 3.15Å; F166-K168 HydrophobicContact CB-CB 4.37Å; F166-K168 WeakPolarHBondContact O-CG 3.49Å; F166-K168 PolarHBondContact O-N 2.91Å
167	N	74.8	Confident	80.5	Confident	120 Å²	120	53.2 Å²	53.2	64%	0.642	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	39.9	-170.1	-164.7	48.4	0	0	0	112.9	S163	S163-N167 WeakPolarHBondContact O-CA 3.26Å; S163-N167 PolarHBondContact O-N 3.42Å
168	K	75.4	Confident	80.9	Confident	59 Å²	59	54 Å²	54	26%	0.257	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	149.6	-176.9	-74.9	-175.6	176.6	-160	0	110.8	E87 L89 S163 F166	E87-K168 WeakPolarHBondContact O-CD 3.17Å; E87-K168 WeakPolarHBondContact O-CG 3.25Å; E87-K168 IonicContact OE2-NZ 2.76Å; E87-K168 PolarHBondContact OE2-NZ 2.84Å; L89-K168 HydrophobicContact CD2-CD 4.07Å; L89-K168 HydrophobicContact CG-CB 4.44Å; L89-K168 HydrophobicContact CG-CD 4.04Å; S163-K168 WeakPolarHBondContact CB-O 3.4Å; S163-K168 PolarHBondContact N-O 3.43Å; S163-K168 PolarHBondContact O-N 3.31Å; F166-K168 HydrophobicContact CB-CB 4.37Å; F166-K168 WeakPolarHBondContact O-CG 3.49Å; F166-K168 PolarHBondContact O-N 2.91Å
169	Y	75.2	Confident	81.2	Confident	68 Å²	68	50.6 Å²	50.6	27%	0.267	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	126	169.5	-74.2	-92.6	0	0	0	109.7	M159 L161 L162	M159-Y169 WeakPolarHBondContact O-CD1 3.33Å; L161-Y169 CarbonylContact O-C 3.58Å; L161-Y169 WeakPolarHBondContact O-CA 3.19Å; L162-Y169 HydrophobicContact CB-CD1 4.29Å; L162-Y169 HydrophobicContact CB-CE1 3.97Å; L162-Y169 HydrophobicContact CD1-CD2 4.22Å; L162-Y169 HydrophobicContact CD1-CE2 3.96Å
170	I	77.1	Confident	81.6	Confident	11 Å²	11	46.8 Å²	46.8	6%	0.056	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	116.4	172.5	-60.4	175.3	0	0	0	107	L23 L89 N93 G160 L161	L23-I170 HydrophobicContact CB-CD1 4.4Å; L23-I170 HydrophobicContact CD1-CD1 4.04Å; L23-I170 HydrophobicContact CD1-CG2 4.38Å; L89-I170 HydrophobicContact CD1-CG1 4.3Å; N93-I170 HydrophobicContact CB-CG2 4.27Å; N93-I170 WeakPolarHBondContact ND2-CG2 3.32Å; G160-I170 CarbonylContact C-O 3.57Å; G160-I170 WeakPolarHBondContact CA-O 3.41Å; L161-I170 PolarHBondContact N-O 3.05Å; L161-I170 PolarHBondContact O-N 3.47Å
171	A	82.5	Confident	82.2	Confident	13 Å²	13	47.4 Å²	47.4	11%	0.107	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	140.3	174.9	0	0	0	0	0	110.2	D92 N93	D92-A171 WeakPolarHBondContact OD1-CB 3.1Å; N93-A171 PolarHBondContact N-O 2.72Å
172	I	82.7	Confident	82.9	Confident	7 Å²	7	49.2 Å²	49.2	4%	0.036	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.8	-179.4	-60	-168.2	0	0	0	108.8	L19 L23 N93 L95 M156 L161	L19-I172 HydrophobicContact CD2-CD1 3.24Å; L23-I172 HydrophobicContact CD1-CD1 4.46Å; N93-I172 HydrophobicContact CB-CG1 4.3Å; N93-I172 WeakPolarHBondContact O-CA 3.44Å; L95-I172 HydrophobicContact CB-CG2 3.99Å; L95-I172 HydrophobicContact CD2-CG2 4.29Å; M156-I172 HydrophobicContact CE-CG2 4.03Å; M156-I172 HydrophobicContact CG-CB 4.06Å; M156-I172 HydrophobicContact CG-CD1 3.62Å; M156-I172 HydrophobicContact CG-CG1 4.25Å; M156-I172 HydrophobicContact CG-CG2 4.22Å; M156-I172 HydrophobicContact SD-CD1 3.66Å; M156-I172 HydrophobicContact SD-CG2 4.3Å; L161-I172 HydrophobicContact CB-CD1 4.28Å; L161-I172 HydrophobicContact CD1-CD1 3.5Å; L161-I172 HydrophobicContact CG-CD1 3.55Å
173	K	90.3	Very high	83.7	Confident	105 Å²	105	45.7 Å²	45.7	46%	0.457	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.8	178.3	-176.2	179.9	177.5	-174.7	0	109	D92 N93 L95 T175	D92-K173 HydrophobicContact CB-CB 4.23Å; N93-K173 PolarHBondContact O-N 3.44Å; L95-K173 PolarHBondContact N-O 3.14Å; K173-T175 PolarHBondContact O-N 3.47Å; K173-T175 VanDerWaalsContact O-N 3.09Å
174	L	92.6	Very high	84.8	Confident	7 Å²	7	46.5 Å²	46.5	4%	0.037	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	97.5	169.2	178.8	60.7	0	0	0	108.4	L95 N97 I153 T157 V177 F243 L246 I248 T253	L95-L174 HydrophobicContact CD2-CD1 4.44Å; L95-L174 HydrophobicContact CG-CD1 4.36Å; N97-L174 HydrophobicContact CB-CD1 4.08Å; N97-L174 WeakPolarHBondContact ND2-CD1 3.45Å; I153-L174 HydrophobicContact CG2-CD2 4.09Å; T157-L174 HydrophobicContact CG2-CB 4.2Å; L174-V177 HydrophobicContact CD1-CG2 4.17Å; L174-V177 HydrophobicContact CD2-CG2 3.87Å; L174-V177 HydrophobicContact CG-CG2 4.19Å; L174-F243 HydrophobicContact CD2-CE1 4.46Å; L174-L246 HydrophobicContact CD2-CD1 3.9Å; L174-I248 HydrophobicContact CB-CG2 4.17Å; L174-I248 HydrophobicContact CD2-CD1 4.23Å; L174-I248 HydrophobicContact CD2-CG2 4.24Å; L174-I248 HydrophobicContact CG-CG2 4.42Å; L174-T253 HydrophobicContact CG-CG2 4.38Å
175	T	94.5	Very high	85.9	Confident	38 Å²	38	42.9 Å²	42.9	23%	0.233	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-33.4	-174.5	-57.5	0	0	0	0	112.2	E94 L95 Y96 K173	E94-T175 WeakPolarHBondContact CB-OG1 3.49Å; E94-T175 WeakPolarHBondContact CG-OG1 3.06Å; E94-T175 PolarHBondContact OE2-OG1 3.14Å; L95-T175 PolarHBondContact O-N 3.28Å; Y96-T175 HydrophobicContact CE1-CG2 3.78Å; K173-T175 PolarHBondContact O-N 3.47Å; K173-T175 VanDerWaalsContact O-N 3.09Å
176	A	95.1	Very high	86.9	Confident	6 Å²	6	35.9 Å²	35.9	5%	0.05	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	141.9	179.8	0	0	0	0	0	113	Y96 N97 I178 T253 P255	Y96-A176 CarbonylContact C-O 3.6Å; Y96-A176 WeakPolarHBondContact CA-O 3.28Å; Y96-A176 HydrophobicContact CD1-CB 3.56Å; Y96-A176 HydrophobicContact CD2-CB 4.42Å; Y96-A176 HydrophobicContact CE1-CB 3.74Å; Y96-A176 HydrophobicContact CG-CB 3.93Å; N97-A176 PolarHBondContact N-O 3.21Å; A176-I178 HydrophobicContact CB-CG1 4.32Å; A176-T253 CarbonylContact C-O 3.59Å; A176-T253 VanDerWaalsContact CA-O 3.31Å; A176-T253 WeakPolarHBondContact CA-O 3.49Å; A176-P255 HydrophobicContact CB-CG 4.13Å
177	V	95	Very high	87.8	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	101	166.3	-176.4	0	0	0	0	107.6	N97 I99 L174 F243 T253 F254	N97-V177 CarbonylContact O-C 3.56Å; N97-V177 WeakPolarHBondContact O-CA 3.45Å; I99-V177 HydrophobicContact CD1-CG1 4.01Å; I99-V177 HydrophobicContact CG1-CG1 4.45Å; L174-V177 HydrophobicContact CD1-CG2 4.17Å; L174-V177 HydrophobicContact CD2-CG2 3.87Å; L174-V177 HydrophobicContact CG-CG2 4.19Å; V177-F243 HydrophobicContact CG1-CE1 4.17Å; V177-F243 HydrophobicContact CG1-CZ 4.35Å; V177-F243 HydrophobicContact CG2-CD1 4.23Å; V177-F243 HydrophobicContact CG2-CE1 3.73Å; V177-T253 HydrophobicContact CG2-CG2 4.28Å; V177-T253 PolarHBondContact N-O 3.21Å; V177-F254 HydrophobicContact CB-CD1 3.83Å; V177-F254 HydrophobicContact CB-CE1 3.59Å; V177-F254 HydrophobicContact CB-CG 4.42Å; V177-F254 HydrophobicContact CB-CZ 3.98Å; V177-F254 HydrophobicContact CG1-CD1 4Å; V177-F254 HydrophobicContact CG1-CE1 3.46Å; V177-F254 VanDerWaalsContact CG1-CE1 3.46Å; V177-F254 HydrophobicContact CG1-CZ 4.09Å; V177-F254 HydrophobicContact CG2-CE1 4.25Å; V177-F254 HydrophobicContact CG2-CZ 4.14Å
178	I	93.8	Very high	88.7	Confident	43 Å²	43	24.6 Å²	24.6	22%	0.221	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	121.5	-176.4	-56.1	171.2	0	0	0	108.5	Y96 N97 N98 I99 A176 P255 D257	Y96-I178 HydrophobicContact CD2-CD1 4.04Å; N97-I178 PolarHBondContact O-N 3.09Å; N98-I178 CarbonylContact C-O 3.55Å; N98-I178 VanDerWaalsContact CA-O 3.28Å; N98-I178 WeakPolarHBondContact CA-O 3.29Å; N98-I178 HydrophobicContact CB-CB 4.49Å; N98-I178 PolarHBondContact ND2-O 3.39Å; I99-I178 PolarHBondContact N-O 3.1Å; A176-I178 HydrophobicContact CB-CG1 4.32Å; I178-P255 HydrophobicContact CG1-CG 4.25Å; I178-D257 HydrophobicContact CG2-CB 4.37Å
179	C	91.5	Very high	89.5	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	149.8	180	41.9	0	0	0	0	110.1	I99 A183 R184	I99-C179 WeakPolarHBondContact O-CA 3.31Å; I99-C179 WeakPolarHBondContact O-CB 3.38Å; C179-A183 HydrophobicContact CB-CB 4.06Å; C179-R184 HydrophobicContact CB-CB 4.26Å; C179-R184 PolarHBondContact O-NH2 3.45Å; C179-R184 VanDerWaalsContact SG-CA 3.56Å; C179-R184 WeakPolarHBondContact SG-CB 2.98Å
180	D	90.3	Very high	90.4	Very high	30 Å²	30	19.8 Å²	19.8	16%	0.16	11%	0.112	C	C	.	.			trans	-66.2	171.8	167.2	86.1	-17.2	0	0	0	110.3	P182 A183 R184 H260	D180-P182 WeakPolarHBondContact OD2-CD 3.39Å; D180-A183 WeakPolarHBondContact OD1-CA 3.45Å; D180-A183 WeakPolarHBondContact OD1-CB 3.35Å; D180-A183 PolarHBondContact OD1-N 2.98Å; D180-R184 WeakPolarHBondContact O-CB 3.05Å; D180-R184 PolarHBondContact O-N 2.78Å; D180-H260 VanDerWaalsContact CB-CE1 3.41Å; D180-H260 WeakPolarHBondContact CB-CE1 3.46Å
181	A	89.1	Confident	91.3	Very high	23 Å²	23	20.3 Å²	20.3	19%	0.19	12%	0.116	C	C	.	.	H	α-helix	trans	-64.5	-47.9	-174.4	0	0	0	0	0	113.4	R184 S185 H193	A181-R184 PolarHBondContact O-N 3.33Å; A181-S185 PolarHBondContact O-N 3.21Å; A181-S185 VanDerWaalsContact O-N 3.11Å; A181-S185 PolarHBondContact O-OG 2.87Å; A181-H193 HydrophobicContact CB-CB 4.2Å
182	P	89.1	Confident	91.7	Very high	48 Å²	48	22.5 Å²	22.5	31%	0.312	13%	0.126	S	C	.	.	H	α-helix	trans	-57.5	-48.8	172.9	-26	33.9	0	0	0	114.6	D180 R184 S185 D186	D180-P182 WeakPolarHBondContact OD2-CD 3.39Å; P182-R184 VanDerWaalsContact C-N 3.3Å; P182-R184 PolarHBondContact O-N 3.04Å; P182-S185 PolarHBondContact O-N 2.76Å; P182-D186 PolarHBondContact O-N 3.06Å; P182-D186 VanDerWaalsContact O-N 3.1Å
183	A	88.8	Confident	91.9	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.017	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-38.2	178.6	0	0	0	0	0	110.9	W113 C179 D180 S185 D186 V187	W113-A183 HydrophobicContact CH2-CB 4.24Å; W113-A183 HydrophobicContact CZ3-CB 3.65Å; C179-A183 HydrophobicContact CB-CB 4.06Å; D180-A183 WeakPolarHBondContact OD1-CA 3.45Å; D180-A183 WeakPolarHBondContact OD1-CB 3.35Å; D180-A183 PolarHBondContact OD1-N 2.98Å; A183-S185 VanDerWaalsContact C-N 3.34Å; A183-S185 PolarHBondContact O-N 2.67Å; A183-D186 PolarHBondContact O-N 3.38Å; A183-V187 WeakPolarHBondContact O-CB 3.45Å; A183-V187 WeakPolarHBondContact O-CG2 3.27Å; A183-V187 PolarHBondContact O-N 3.46Å
184	R	92.1	Very high	92	Very high	18 Å²	18	24.7 Å²	24.7	7%	0.068	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-45.4	174.9	-170.2	175.9	-61.5	126.1	9.2	111.9	C179 D180 A181 P182 D186 V187 G188 D200 F254 P255	C179-R184 HydrophobicContact CB-CB 4.26Å; C179-R184 PolarHBondContact O-NH2 3.45Å; C179-R184 VanDerWaalsContact SG-CA 3.56Å; C179-R184 WeakPolarHBondContact SG-CB 2.98Å; D180-R184 WeakPolarHBondContact O-CB 3.05Å; D180-R184 PolarHBondContact O-N 2.78Å; A181-R184 PolarHBondContact O-N 3.33Å; P182-R184 VanDerWaalsContact C-N 3.3Å; P182-R184 PolarHBondContact O-N 3.04Å; R184-D186 VanDerWaalsContact C-N 3.3Å; R184-D186 PolarHBondContact O-N 3.14Å; R184-V187 PolarHBondContact O-N 3.14Å; R184-G188 PolarHBondContact O-N 2.76Å; R184-D200 WeakPolarHBondContact CD-OD2 3.46Å; R184-D200 IonicContact NH1-OD2 3.09Å; R184-D200 PolarHBondContact NH1-OD2 3.18Å; R184-D200 VanDerWaalsContact NH1-OD2 3.09Å; R184-F254 HydrophobicContact CG-CD1 4.44Å; R184-P255 PolarHBondContact NH2-O 2.82Å
185	S	92.3	Very high	92	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-62.5	-39.5	177.7	-63.3	0	0	0	0	112.1	A181 P182 A183 C189 T190 V191 N192	A181-S185 PolarHBondContact O-N 3.21Å; A181-S185 VanDerWaalsContact O-N 3.11Å; A181-S185 PolarHBondContact O-OG 2.87Å; P182-S185 PolarHBondContact O-N 2.76Å; A183-S185 VanDerWaalsContact C-N 3.34Å; A183-S185 PolarHBondContact O-N 2.67Å; S185-C189 CarbonylContact O-C 3.6Å; S185-C189 WeakPolarHBondContact O-CA 3.41Å; S185-C189 PolarHBondContact O-N 3.03Å; S185-T190 WeakPolarHBondContact CA-OG1 3.37Å; S185-T190 PolarHBondContact O-N 3.26Å; S185-V191 PolarHBondContact OG-O 3.19Å; S185-N192 WeakPolarHBondContact OG-CA 3.16Å
186	D	89.5	Confident	92	Very high	30 Å²	30	29.5 Å²	29.5	16%	0.16	16%	0.162	C	C	.	.	H	α-helix	trans	-69.1	-43.1	177.7	-67.7	-23.5	0	0	0	112.2	W113 K138 P182 A183 R184 C189	W113-D186 HydrophobicContact CH2-CB 4.04Å; W113-D186 VanDerWaalsContact CH2-OD2 3.31Å; W113-D186 WeakPolarHBondContact CH2-OD2 3.29Å; K138-D186 WeakPolarHBondContact CE-OD1 3.36Å; K138-D186 WeakPolarHBondContact CE-OD2 3.42Å; K138-D186 VanDerWaalsContact NZ-CG 3.27Å; K138-D186 IonicContact NZ-OD1 2.69Å; K138-D186 PolarHBondContact NZ-OD1 2.93Å; K138-D186 IonicContact NZ-OD2 3.03Å; K138-D186 PolarHBondContact NZ-OD2 3.29Å; P182-D186 PolarHBondContact O-N 3.06Å; P182-D186 VanDerWaalsContact O-N 3.1Å; A183-D186 PolarHBondContact O-N 3.38Å; R184-D186 VanDerWaalsContact C-N 3.3Å; R184-D186 PolarHBondContact O-N 3.14Å; D186-C189 PolarHBondContact O-N 3.24Å
187	V	91.5	Very high	92	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-46.1	176.6	172.4	0	0	0	0	110.8	I99 F142 A183 R184 C189 S241 F243 F254	I99-V187 HydrophobicContact CB-CG2 4.4Å; I99-V187 HydrophobicContact CD1-CG2 4.19Å; I99-V187 HydrophobicContact CG2-CG2 3.93Å; F142-V187 HydrophobicContact CD1-CG2 4.46Å; F142-V187 HydrophobicContact CD2-CG2 4.25Å; F142-V187 HydrophobicContact CE1-CB 4.29Å; F142-V187 HydrophobicContact CE1-CG1 4.22Å; F142-V187 HydrophobicContact CE1-CG2 3.98Å; F142-V187 HydrophobicContact CE2-CG2 3.72Å; F142-V187 HydrophobicContact CZ-CB 4.38Å; F142-V187 HydrophobicContact CZ-CG1 4.45Å; F142-V187 HydrophobicContact CZ-CG2 3.59Å; A183-V187 WeakPolarHBondContact O-CB 3.45Å; A183-V187 WeakPolarHBondContact O-CG2 3.27Å; A183-V187 PolarHBondContact O-N 3.46Å; R184-V187 PolarHBondContact O-N 3.14Å; V187-C189 VanDerWaalsContact C-N 3.28Å; V187-C189 PolarHBondContact O-N 2.75Å; V187-S241 VanDerWaalsContact O-CB 3.3Å; V187-S241 WeakPolarHBondContact O-CB 3.31Å; V187-S241 PolarHBondContact O-OG 3.24Å; V187-F243 HydrophobicContact CG1-CD2 3.5Å; V187-F243 VanDerWaalsContact CG1-CD2 3.5Å; V187-F243 HydrophobicContact CG1-CE2 3.4Å; V187-F243 HydrophobicContact CG1-CG 4.21Å; V187-F243 HydrophobicContact CG1-CZ 4.06Å; V187-F254 HydrophobicContact CG1-CE1 3.64Å; V187-F254 HydrophobicContact CG1-CZ 4.02Å
188	G	93.3	Very high	92	Very high	6 Å²	6	29.4 Å²	29.4	6%	0.062	16%	0.162	C	C	.	.	H	α-helix	trans	-78.5	-5.6	-179.4	0	0	0	0	0	114.4	R184 T190 F228	R184-G188 PolarHBondContact O-N 2.76Å; G188-T190 PolarHBondContact O-N 3.12Å; G188-F228 WeakPolarHBondContact O-CZ 3.31Å
189	C	93.6	Very high	92	Very high	21 Å²	21	28.6 Å²	28.6	14%	0.142	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	42.4	-170.2	-65.2	0	0	0	0	112.5	S185 D186 V187 Q238 G239	S185-C189 CarbonylContact O-C 3.6Å; S185-C189 WeakPolarHBondContact O-CA 3.41Å; S185-C189 PolarHBondContact O-N 3.03Å; D186-C189 PolarHBondContact O-N 3.24Å; V187-C189 VanDerWaalsContact C-N 3.28Å; V187-C189 PolarHBondContact O-N 2.75Å; C189-Q238 WeakPolarHBondContact O-CA 3.46Å; C189-Q238 PolarHBondContact O-N 3.11Å; C189-G239 WeakPolarHBondContact CB-O 3.41Å; C189-G239 PolarHBondContact O-N 3.25Å
190	T	94.7	Very high	92.1	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.025	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-110.5	164.7	179.2	63.9	0	0	0	0	111.7	S185 G188 F228 H236	S185-T190 WeakPolarHBondContact CA-OG1 3.37Å; S185-T190 PolarHBondContact O-N 3.26Å; G188-T190 PolarHBondContact O-N 3.12Å; T190-F228 HydrophobicContact CG2-CE2 3.61Å; T190-F228 HydrophobicContact CG2-CZ 3.76Å; T190-H236 CarbonylContact C-O 3.51Å; T190-H236 VanDerWaalsContact CA-O 3.28Å; T190-H236 WeakPolarHBondContact CA-O 3.16Å; T190-H236 WeakPolarHBondContact CB-O 3.39Å; T190-H236 WeakPolarHBondContact CG2-NE2 3.27Å
191	V	94.3	Very high	92.3	Very high	22 Å²	22	31.9 Å²	31.9	13%	0.133	17%	0.172	C	C	.	.			trans	-61.4	141.7	171.2	-60.8	0	0	0	0	110.1	S185 A197 I235 H236 Q238	S185-V191 PolarHBondContact OG-O 3.19Å; V191-A197 HydrophobicContact CG2-CB 4.42Å; V191-A197 WeakPolarHBondContact CG2-O 3.34Å; V191-I235 VanDerWaalsContact CG1-O 3.27Å; V191-I235 WeakPolarHBondContact CG1-O 3.38Å; V191-H236 PolarHBondContact N-O 3.41Å; V191-Q238 HydrophobicContact CG1-CG 4.1Å
192	N	91.7	Very high	92.6	Very high	60 Å²	60	32 Å²	32	32%	0.321	17%	0.171	S	C	.	.			trans	-55.7	160.7	178.4	-161.3	-3.9	0	0	0	111.5	S185 N194 G195	S185-N192 WeakPolarHBondContact OG-CA 3.16Å; N192-N194 PolarHBondContact O-N 2.68Å; N192-G195 WeakPolarHBondContact O-CA 3.16Å; N192-G195 PolarHBondContact O-N 3.47Å
193	H	87.4	Confident	92.9	Very high	73 Å²	73	32.1 Å²	32.1	34%	0.338	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-19.9	176.1	65.7	-86.9	0	0	0	114.2	A181	A181-H193 HydrophobicContact CB-CB 4.2Å
194	N	90.9	Very high	93.2	Very high	85 Å²	85	32.4 Å²	32.4	46%	0.455	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	9.6	172.5	-64.3	-46.4	0	0	0	114.1	N192 M213	N192-N194 PolarHBondContact O-N 2.68Å; N194-M213 HydrophobicContact CB-CG 4.22Å; N194-M213 WeakPolarHBondContact O-CG 3.41Å
195	G	92.7	Very high	93.3	Very high	16 Å²	16	35.4 Å²	35.4	17%	0.165	19%	0.19	C	C	.	.	S	Bend	trans	-82.2	155	174.7	0	0	0	0	0	111.6	N192 A197 G198	N192-G195 WeakPolarHBondContact O-CA 3.16Å; N192-G195 PolarHBondContact O-N 3.47Å; G195-A197 PolarHBondContact O-N 3.37Å; G195-G198 PolarHBondContact O-N 3.09Å
196	K	94.7	Very high	93.4	Very high	130 Å²	130	35.7 Å²	35.7	57%	0.565	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-37.2	175.2	-174.6	178.1	177.9	-178.5	0	111.8	N205 G206	K196-N205 HydrophobicContact CG-CB 4.3Å; K196-N205 CarbonylContact O-C 3.55Å; K196-N205 WeakPolarHBondContact O-CA 3.39Å; K196-G206 PolarHBondContact O-N 2.99Å
197	A	95.9	Very high	93.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.008	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	32.4	174.3	0	0	0	0	0	112.2	V191 G195 C199 I235 H236	V191-A197 HydrophobicContact CG2-CB 4.42Å; V191-A197 WeakPolarHBondContact CG2-O 3.34Å; G195-A197 PolarHBondContact O-N 3.37Å; A197-C199 VanDerWaalsContact C-N 3.33Å; A197-C199 PolarHBondContact O-N 3.18Å; A197-I235 HydrophobicContact CB-CD1 3.86Å; A197-I235 HydrophobicContact CB-CG1 3.75Å; A197-H236 HydrophobicContact CB-CB 3.98Å; A197-H236 PolarHBondContact O-ND1 2.72Å
198	G	94.2	Very high	93.7	Very high	3 Å²	3	49.9 Å²	49.9	3%	0.031	24%	0.244	C	C	.	.			trans	-82	4.1	-172.8	0	0	0	0	0	116.7	G195	G195-G198 PolarHBondContact O-N 3.09Å
199	C	94.3	Very high	93.3	Very high	25 Å²	25	53.3 Å²	53.3	17%	0.169	26%	0.26	C	S	.	.			trans	-68	134.9	169.7	-179.5	0	0	0	0	107.8	A197 C202 V204 F215 R223 H236	A197-C199 VanDerWaalsContact C-N 3.33Å; A197-C199 PolarHBondContact O-N 3.18Å; C199-C202 PolarHBondContact SG-N 2.58Å; C199-C202 VanDerWaalsContact SG-N 3.39Å; C199-V204 HydrophobicContact CB-CG1 3.62Å; C199-F215 HydrophobicContact CB-CD1 3.92Å; C199-F215 HydrophobicContact CB-CD2 4.47Å; C199-F215 HydrophobicContact CB-CE1 3.84Å; C199-F215 HydrophobicContact CB-CE2 4.42Å; C199-F215 HydrophobicContact CB-CG 4.24Å; C199-F215 HydrophobicContact CB-CZ 4.12Å; C199-R223 PolarHBondContact O-NH1 3.48Å; C199-R223 PolarHBondContact O-NH2 3.09Å; C199-H236 PolarHBondContact O-CE1 2.97Å
200	D	93.6	Very high	93.1	Very high	32 Å²	32	60 Å²	60	17%	0.171	30%	0.295	C	S	.	.	S	Bend	trans	-83.5	-27.3	177.2	-64.3	-36.3	0	0	0	112.6	R184 R223	R184-D200 WeakPolarHBondContact CD-OD2 3.46Å; R184-D200 IonicContact NH1-OD2 3.09Å; R184-D200 PolarHBondContact NH1-OD2 3.18Å; R184-D200 VanDerWaalsContact NH1-OD2 3.09Å; D200-R223 PolarHBondContact O-NH1 3.02Å
201	R	94.3	Very high	92.9	Very high	67 Å²	67	63.2 Å²	63.2	25%	0.253	33%	0.329	S	S	.	.	S	Bend	trans	-94.4	-34.3	-170.1	-63.4	-62.4	-179.6	-163.6	-10	115	L222 R223 I251 F254 L256	R201-L222 CarbonylContact O-C 3.6Å; R201-L222 WeakPolarHBondContact O-CA 3.48Å; R201-R223 PolarHBondContact O-N 3.34Å; R201-I251 PolarHBondContact NH1-O 3.32Å; R201-F254 PolarHBondContact NH2-O 2.99Å; R201-L256 HydrophobicContact CG-CD1 4.28Å
202	C	95	Very high	92.6	Very high	26 Å²	26	69.2 Å²	69.2	18%	0.176	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-129.8	148.1	-170.6	-44.4	0	0	0	0	112	C199 V204 T221 R223	C199-C202 PolarHBondContact SG-N 2.58Å; C199-C202 VanDerWaalsContact SG-N 3.39Å; C202-V204 VanDerWaalsContact C-N 3.31Å; C202-V204 HydrophobicContact CB-CG1 4.23Å; C202-V204 PolarHBondContact O-N 2.76Å; C202-T221 CarbonylContact C-O 3.42Å; C202-T221 VanDerWaalsContact CA-O 3.32Å; C202-T221 WeakPolarHBondContact CA-O 3.45Å; C202-R223 VanDerWaalsContact C-NH1 3.34Å; C202-R223 VanDerWaalsContact N-NH1 3.18Å; C202-R223 VanDerWaalsContact O-CZ 3.22Å; C202-R223 PolarHBondContact O-NH1 2.83Å; C202-R223 PolarHBondContact O-NH2 3.43Å; C202-R223 VanDerWaalsContact O-NH2 3.11Å
203	V	96.3	Very high	92.6	Very high	51 Å²	51	67.9 Å²	67.9	31%	0.309	35%	0.345	S	S	.	.			trans	-75.4	84.8	171	-173.8	0	0	0	0	108.7	T221 R223 Q233	V203-T221 PolarHBondContact N-O 3.33Å; V203-R223 HydrophobicContact CG2-CG 4.1Å; V203-Q233 HydrophobicContact CG1-CB 4.43Å; V203-Q233 HydrophobicContact CG1-CG 4.3Å
204	V	94.7	Very high	92.7	Very high	8 Å²	8	66.4 Å²	66.4	5%	0.048	34%	0.341	C	S	.	.			trans	-136.8	142.3	-179.4	57.8	0	0	0	0	111	C199 C202 F215 Y220	C199-V204 HydrophobicContact CB-CG1 3.62Å; C202-V204 VanDerWaalsContact C-N 3.31Å; C202-V204 HydrophobicContact CB-CG1 4.23Å; C202-V204 PolarHBondContact O-N 2.76Å; V204-F215 HydrophobicContact CG1-CB 4.43Å; V204-F215 HydrophobicContact CG1-CD1 3.67Å; V204-F215 HydrophobicContact CG1-CE1 4.39Å; V204-F215 HydrophobicContact CG1-CG 4.35Å; V204-F215 HydrophobicContact CG2-CD1 4.42Å; V204-Y220 HydrophobicContact CB-CD1 3.79Å; V204-Y220 HydrophobicContact CB-CD2 4.12Å; V204-Y220 HydrophobicContact CB-CE1 4.04Å; V204-Y220 HydrophobicContact CB-CE2 4.33Å; V204-Y220 HydrophobicContact CB-CG 3.85Å; V204-Y220 HydrophobicContact CG2-CD1 3.82Å; V204-Y220 HydrophobicContact CG2-CD2 4.13Å; V204-Y220 HydrophobicContact CG2-CE1 3.52Å; V204-Y220 HydrophobicContact CG2-CE2 3.83Å; V204-Y220 HydrophobicContact CG2-CG 4.13Å
205	N	94.9	Very high	92.7	Very high	81 Å²	81	65.3 Å²	65.3	43%	0.433	33%	0.333	S	S	.	.			trans	-90	115.6	169.6	-73.2	-34.2	0	0	0	109.8	K196 I235	K196-N205 HydrophobicContact CG-CB 4.3Å; K196-N205 CarbonylContact O-C 3.55Å; K196-N205 WeakPolarHBondContact O-CA 3.39Å; N205-I235 WeakPolarHBondContact OD1-CD1 3.29Å
206	G	93.5	Very high	92.4	Very high	8 Å²	8	66.2 Å²	66.2	8%	0.082	34%	0.335	C	S	.	.			trans	-67.3	153.8	169.3	0	0	0	0	0	112.3	K196 T214 F215	K196-G206 PolarHBondContact O-N 2.99Å; G206-T214 CarbonylContact C-O 3.48Å; G206-T214 WeakPolarHBondContact CA-O 3.33Å; G206-F215 VanDerWaalsContact CA-CD1 3.5Å
207	R	93.5	Very high	92.2	Very high	140 Å²	140	68 Å²	68	53%	0.528	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148.8	175.9	63.6	-176.7	-177.4	-176.2	1.5	110.2	L209 T214	R207-L209 HydrophobicContact CG-CG 4.32Å; R207-T214 PolarHBondContact N-O 2.93Å; R207-T214 PolarHBondContact O-N 2.99Å; R207-T214 PolarHBondContact O-OG1 2.66Å
208	R	93.2	Very high	91.9	Very high	188 Å²	188	70.4 Å²	70.4	71%	0.709	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	125.2	172.4	-76.5	-170.3	172.1	-167	-2.1	110.2	K212 M213	R208-K212 CarbonylContact C-O 3.54Å; R208-K212 VanDerWaalsContact CA-O 3.29Å; R208-K212 WeakPolarHBondContact CA-O 3.41Å; R208-M213 HydrophobicContact CB-SD 4.43Å; R208-M213 HydrophobicContact CG-CG 4.49Å; R208-M213 HydrophobicContact CG-SD 3.22Å; R208-M213 WeakPolarHBondContact CG-SD 3.41Å
209	L	86.5	Confident	92	Very high	78 Å²	78	79.7 Å²	79.7	41%	0.408	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.7	169.5	-65.6	175.9	0	0	0	107.3	R207 G211 K212 T214	R207-L209 HydrophobicContact CG-CG 4.32Å; L209-G211 VanDerWaalsContact C-N 3.26Å; L209-G211 PolarHBondContact O-N 3.16Å; L209-K212 PolarHBondContact N-O 3.3Å; L209-K212 PolarHBondContact O-N 3.36Å; L209-K212 VanDerWaalsContact O-O 3.13Å; L209-T214 HydrophobicContact CB-CG2 4.16Å; L209-T214 HydrophobicContact CD1-CG2 4.15Å; L209-T214 WeakPolarHBondContact CD1-OG1 3.45Å; L209-T214 HydrophobicContact CG-CG2 4.45Å
210	D	89.8	Confident	92	Very high	162 Å²	162	82.6 Å²	82.6	87%	0.866	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	44.1	179.1	-54.5	-30.4	0	0	0	114.1	K212	D210-K212 PolarHBondContact O-N 3.03Å
211	G	89	Confident	92.2	Very high	71 Å²	71	86.1 Å²	86.1	73%	0.732	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	-0.7	-179.1	0	0	0	0	0	115.3	L209	L209-G211 VanDerWaalsContact C-N 3.26Å; L209-G211 PolarHBondContact O-N 3.16Å
212	K	87.8	Confident	92.3	Very high	148 Å²	148	88.7 Å²	88.7	64%	0.643	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	144.4	179.7	-65	173.2	-176.4	165.4	0	111.1	R208 L209 D210	R208-K212 CarbonylContact C-O 3.54Å; R208-K212 VanDerWaalsContact CA-O 3.29Å; R208-K212 WeakPolarHBondContact CA-O 3.41Å; L209-K212 PolarHBondContact N-O 3.3Å; L209-K212 PolarHBondContact O-N 3.36Å; L209-K212 VanDerWaalsContact O-O 3.13Å; D210-K212 PolarHBondContact O-N 3.03Å
213	M	91.5	Very high	92.4	Very high	33 Å²	33	87.9 Å²	87.9	16%	0.163	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	133	170.6	-69	-59.4	-54.4	0	0	110.4	N194 R208	N194-M213 HydrophobicContact CB-CG 4.22Å; N194-M213 WeakPolarHBondContact O-CG 3.41Å; R208-M213 HydrophobicContact CB-SD 4.43Å; R208-M213 HydrophobicContact CG-CG 4.49Å; R208-M213 HydrophobicContact CG-SD 3.22Å; R208-M213 WeakPolarHBondContact CG-SD 3.41Å
214	T	90.5	Very high	92.5	Very high	41 Å²	41	89 Å²	89	25%	0.252	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	144	179.4	62.5	0	0	0	0	110	G206 R207 L209	G206-T214 CarbonylContact C-O 3.48Å; G206-T214 WeakPolarHBondContact CA-O 3.33Å; R207-T214 PolarHBondContact N-O 2.93Å; R207-T214 PolarHBondContact O-N 2.99Å; R207-T214 PolarHBondContact O-OG1 2.66Å; L209-T214 HydrophobicContact CB-CG2 4.16Å; L209-T214 HydrophobicContact CD1-CG2 4.15Å; L209-T214 WeakPolarHBondContact CD1-OG1 3.45Å; L209-T214 HydrophobicContact CG-CG2 4.45Å
215	F	90.9	Very high	92.7	Very high	63 Å²	63	90.2 Å²	90.2	28%	0.276	48%	0.475	S	S	.	.			trans	-105.7	115.5	171.2	-60.9	-81.2	0	0	0	106.8	C199 V204 G206	C199-F215 HydrophobicContact CB-CD1 3.92Å; C199-F215 HydrophobicContact CB-CD2 4.47Å; C199-F215 HydrophobicContact CB-CE1 3.84Å; C199-F215 HydrophobicContact CB-CE2 4.42Å; C199-F215 HydrophobicContact CB-CG 4.24Å; C199-F215 HydrophobicContact CB-CZ 4.12Å; V204-F215 HydrophobicContact CG1-CB 4.43Å; V204-F215 HydrophobicContact CG1-CD1 3.67Å; V204-F215 HydrophobicContact CG1-CE1 4.39Å; V204-F215 HydrophobicContact CG1-CG 4.35Å; V204-F215 HydrophobicContact CG2-CD1 4.42Å; G206-F215 VanDerWaalsContact CA-CD1 3.5Å
216	P	87	Confident	92.8	Very high	34 Å²	34	91.7 Å²	91.7	22%	0.221	48%	0.482	C	S	.	.			trans	-62.9	151	-179.5	22	-27.3	0	0	0	110.6	Y220	P216-Y220 VanDerWaalsContact O-CE2 3.25Å; P216-Y220 WeakPolarHBondContact O-CE2 2.95Å; P216-Y220 PolarHBondContact O-OH 3.22Å
217	N	89.5	Confident	93	Very high	168 Å²	168	92.1 Å²	92.1	90%	0.898	48%	0.484	S	S	*	.	S	Bend	trans	-67.8	140.5	169.7	-71.4	-2.3	0	0	0	109.3
218	G	90.7	Very high	93.2	Very high	52 Å²	52	86 Å²	86	54%	0.536	46%	0.461	S	S	.	.	S	Bend	trans	172.1	175.1	-179.7	0	0	0	0	0	110.7	Y220	G218-Y220 WeakPolarHBondContact O-CD2 3.4Å
219	E	94.9	Very high	93.4	Very high	197 Å²	197	80 Å²	80	92%	0.921	44%	0.439	S	S	*	.			trans	-87.5	119	171.2	-66.3	179.9	-177.9	0	0	108.7
220	Y	95.1	Very high	93.9	Very high	86 Å²	86	82 Å²	82	34%	0.337	45%	0.45	S	S	.	.			trans	-131.1	148.8	-179.1	-59.1	-70.9	0	0	0	109.7	V204 P216 G218 L222	V204-Y220 HydrophobicContact CB-CD1 3.79Å; V204-Y220 HydrophobicContact CB-CD2 4.12Å; V204-Y220 HydrophobicContact CB-CE1 4.04Å; V204-Y220 HydrophobicContact CB-CE2 4.33Å; V204-Y220 HydrophobicContact CB-CG 3.85Å; V204-Y220 HydrophobicContact CG2-CD1 3.82Å; V204-Y220 HydrophobicContact CG2-CD2 4.13Å; V204-Y220 HydrophobicContact CG2-CE1 3.52Å; V204-Y220 HydrophobicContact CG2-CE2 3.83Å; V204-Y220 HydrophobicContact CG2-CG 4.13Å; P216-Y220 VanDerWaalsContact O-CE2 3.25Å; P216-Y220 WeakPolarHBondContact O-CE2 2.95Å; P216-Y220 PolarHBondContact O-OH 3.22Å; G218-Y220 WeakPolarHBondContact O-CD2 3.4Å; Y220-L222 PolarHBondContact O-N 3.47Å
221	T	97.1	Very high	94.3	Very high	107 Å²	107	76.7 Å²	76.7	66%	0.656	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-60.2	125.8	172.9	-50.5	0	0	0	0	109.9	C202 V203	C202-T221 CarbonylContact C-O 3.42Å; C202-T221 VanDerWaalsContact CA-O 3.32Å; C202-T221 WeakPolarHBondContact CA-O 3.45Å; V203-T221 PolarHBondContact N-O 3.33Å
222	L	97.4	Very high	94.6	Very high	120 Å²	120	77.9 Å²	77.9	63%	0.628	41%	0.413	S	S	*	.	B	Isolated β-bridge	trans	-71.2	143.7	173	-64.2	178.6	0	0	0	110	R201 Y220	R201-L222 CarbonylContact O-C 3.6Å; R201-L222 WeakPolarHBondContact O-CA 3.48Å; Y220-L222 PolarHBondContact O-N 3.47Å
223	R	97.2	Very high	95	Very high	10 Å²	10	71.9 Å²	71.9	4%	0.038	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-72.1	136.7	168.3	-67.5	-163.2	-173.9	77.3	-0.7	109.5	C199 D200 R201 C202 V203 S227 H236 I251	C199-R223 PolarHBondContact O-NH1 3.48Å; C199-R223 PolarHBondContact O-NH2 3.09Å; D200-R223 PolarHBondContact O-NH1 3.02Å; R201-R223 PolarHBondContact O-N 3.34Å; C202-R223 VanDerWaalsContact C-NH1 3.34Å; C202-R223 VanDerWaalsContact N-NH1 3.18Å; C202-R223 VanDerWaalsContact O-CZ 3.22Å; C202-R223 PolarHBondContact O-NH1 2.83Å; C202-R223 PolarHBondContact O-NH2 3.43Å; C202-R223 VanDerWaalsContact O-NH2 3.11Å; V203-R223 HydrophobicContact CG2-CG 4.1Å; R223-S227 WeakPolarHBondContact CA-OG 3.41Å; R223-H236 PolarHBondContact NE-CD2 3.17Å; R223-H236 PolarHBondContact NH2-ND1 2.87Å; R223-I251 HydrophobicContact CB-CD1 3.66Å; R223-I251 HydrophobicContact CB-CG1 4.1Å
224	T	97.9	Very high	95.2	Very high	74 Å²	74	74.5 Å²	74.5	45%	0.454	41%	0.409	S	S	.	.			trans	-108.6	163.1	168.2	64.2	0	0	0	0	109.6	D226 S227 F228	T224-D226 VanDerWaalsContact C-N 3.27Å; T224-D226 PolarHBondContact O-N 3.03Å; T224-S227 PolarHBondContact N-OG 3.49Å; T224-S227 PolarHBondContact O-N 3.41Å; T224-S227 VanDerWaalsContact O-N 3.12Å; T224-S227 PolarHBondContact O-OG 3.12Å; T224-S227 WeakPolarHBondContact OG1-CB 3.22Å; T224-S227 PolarHBondContact OG1-N 2.91Å; T224-S227 VanDerWaalsContact OG1-N 3.11Å; T224-S227 PolarHBondContact OG1-OG 3.35Å; T224-F228 PolarHBondContact O-N 3.43Å
225	D	97.9	Very high	95.5	Very high	34 Å²	34	76.9 Å²	76.9	18%	0.182	42%	0.419	C	S	.	.	H	α-helix	trans	-51.5	-47.5	172.2	-173.3	56.7	0	0	0	111.6	S227 F228 R229 D249 M250	D225-S227 PolarHBondContact O-N 2.9Å; D225-F228 WeakPolarHBondContact O-CB 2.84Å; D225-F228 PolarHBondContact O-N 2.71Å; D225-F228 VanDerWaalsContact O-N 3.16Å; D225-R229 WeakPolarHBondContact O-CG 3.4Å; D225-R229 PolarHBondContact O-N 3.3Å; D225-R229 IonicContact OD1-CZ 3.84Å; D225-R229 IonicContact OD1-NE 3.46Å; D225-R229 PolarHBondContact OD1-NE 2.86Å; D225-R229 IonicContact OD1-NH2 2.83Å; D225-R229 VanDerWaalsContact OD2-CD 3.29Å; D225-R229 WeakPolarHBondContact OD2-CD 3.24Å; D225-R229 IonicContact OD2-CZ 2.72Å; D225-R229 IonicContact OD2-NE 3.84Å; D225-R229 PolarHBondContact OD2-NE 3.26Å; D225-D249 HydrophobicContact CB-CB 4.38Å; D225-D249 WeakPolarHBondContact OD1-CA 3.17Å; D225-M250 WeakPolarHBondContact OD1-CB 3.3Å; D225-M250 PolarHBondContact OD1-N 3.34Å
226	D	98.1	Very high	95.8	Very high	111 Å²	111	74 Å²	74	59%	0.594	41%	0.406	S	S	*	.	H	α-helix	trans	-58.9	-44.6	176.5	-67.2	-38.4	0	0	0	112.6	T224 F228 N230	T224-D226 VanDerWaalsContact C-N 3.27Å; T224-D226 PolarHBondContact O-N 3.03Å; D226-F228 PolarHBondContact O-N 2.71Å; D226-N230 VanDerWaalsContact O-CB 3.25Å; D226-N230 WeakPolarHBondContact O-CB 3.46Å; D226-N230 PolarHBondContact O-N 3.42Å; D226-N230 PolarHBondContact O-ND2 3.16Å
227	S	97.6	Very high	96.2	Very high	18 Å²	18	73.2 Å²	73.2	13%	0.126	40%	0.4	C	S	.	.	H	α-helix	trans	-64.5	-33	-179.6	74.6	0	0	0	0	112	R223 T224 D225 Q231 T232	R223-S227 WeakPolarHBondContact CA-OG 3.41Å; T224-S227 PolarHBondContact N-OG 3.49Å; T224-S227 PolarHBondContact O-N 3.41Å; T224-S227 VanDerWaalsContact O-N 3.12Å; T224-S227 PolarHBondContact O-OG 3.12Å; T224-S227 WeakPolarHBondContact OG1-CB 3.22Å; T224-S227 PolarHBondContact OG1-N 2.91Å; T224-S227 VanDerWaalsContact OG1-N 3.11Å; T224-S227 PolarHBondContact OG1-OG 3.35Å; D225-S227 PolarHBondContact O-N 2.9Å; S227-Q231 PolarHBondContact O-N 3.38Å; S227-T232 PolarHBondContact O-N 3.43Å; S227-T232 PolarHBondContact O-OG1 2.77Å
228	F	98.1	Very high	96.3	Very high	10 Å²	10	71.9 Å²	71.9	4%	0.044	39%	0.388	C	S	.	.	H	α-helix	trans	-74.2	-50.8	179.4	-172.3	-80.3	0	0	0	111.1	G188 T190 T224 D225 D226 N230 Q231 H237 E244 M250 I251	G188-F228 WeakPolarHBondContact O-CZ 3.31Å; T190-F228 HydrophobicContact CG2-CE2 3.61Å; T190-F228 HydrophobicContact CG2-CZ 3.76Å; T224-F228 PolarHBondContact O-N 3.43Å; D225-F228 WeakPolarHBondContact O-CB 2.84Å; D225-F228 PolarHBondContact O-N 2.71Å; D225-F228 VanDerWaalsContact O-N 3.16Å; D226-F228 PolarHBondContact O-N 2.71Å; F228-N230 VanDerWaalsContact C-N 3.33Å; F228-N230 PolarHBondContact O-N 3.04Å; F228-Q231 WeakPolarHBondContact O-CA 3.08Å; F228-Q231 PolarHBondContact O-N 2.88Å; F228-H237 AromaticContact CD2-CE1 3.65Å; F228-H237 AromaticContact CE2-CE1 3.81Å; F228-H237 AromaticContact CG-CE1 3.84Å; F228-H237 PolarHBondContact O-CE1 3.45Å; F228-H237 VanDerWaalsContact O-CE1 3.25Å; F228-E244 HydrophobicContact CE1-CG 4.38Å; F228-M250 HydrophobicContact CB-CB 4.36Å; F228-M250 HydrophobicContact CD1-CB 3.61Å; F228-M250 HydrophobicContact CD1-CE 4.41Å; F228-M250 HydrophobicContact CD1-CG 3.92Å; F228-M250 HydrophobicContact CE1-CB 4.04Å; F228-M250 HydrophobicContact CE1-CE 3.75Å; F228-M250 HydrophobicContact CE1-CG 4.21Å; F228-M250 HydrophobicContact CG-CB 3.95Å; F228-M250 HydrophobicContact CZ-CE 4.22Å; F228-I251 HydrophobicContact CB-CD1 4.12Å; F228-I251 HydrophobicContact CD2-CD1 3.87Å; F228-I251 HydrophobicContact CG-CD1 4.29Å
229	R	97.5	Very high	96.5	Very high	62 Å²	62	70.7 Å²	70.7	23%	0.234	38%	0.376	C	S	.	.	H	α-helix	trans	-64.6	-36.5	-179.2	-69.7	172.3	176.8	-85.3	1.8	112.5	D225 Q231 E244 L246 I248 M250	D225-R229 WeakPolarHBondContact O-CG 3.4Å; D225-R229 PolarHBondContact O-N 3.3Å; D225-R229 IonicContact OD1-CZ 3.84Å; D225-R229 IonicContact OD1-NE 3.46Å; D225-R229 PolarHBondContact OD1-NE 2.86Å; D225-R229 IonicContact OD1-NH2 2.83Å; D225-R229 VanDerWaalsContact OD2-CD 3.29Å; D225-R229 WeakPolarHBondContact OD2-CD 3.24Å; D225-R229 IonicContact OD2-CZ 2.72Å; D225-R229 IonicContact OD2-NE 3.84Å; D225-R229 PolarHBondContact OD2-NE 3.26Å; R229-Q231 PolarHBondContact O-N 2.75Å; R229-E244 HydrophobicContact CG-CG 4.45Å; R229-E244 PolarHBondContact NH1-O 2.69Å; R229-L246 PolarHBondContact NH2-O 3.28Å; R229-I248 PolarHBondContact NH2-O 3.03Å; R229-M250 HydrophobicContact CG-CG 4.45Å
230	N	97.6	Very high	96.4	Very high	121 Å²	121	66.3 Å²	66.3	65%	0.647	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-1.2	174	-65.7	-52.8	0	0	0	113.3	D226 F228 T232	D226-N230 VanDerWaalsContact O-CB 3.25Å; D226-N230 WeakPolarHBondContact O-CB 3.46Å; D226-N230 PolarHBondContact O-N 3.42Å; D226-N230 PolarHBondContact O-ND2 3.16Å; F228-N230 VanDerWaalsContact C-N 3.33Å; F228-N230 PolarHBondContact O-N 3.04Å; N230-T232 VanDerWaalsContact C-N 3.26Å; N230-T232 HydrophobicContact CB-CG2 4.08Å; N230-T232 PolarHBondContact O-N 2.79Å
231	Q	96.8	Very high	96.4	Very high	50 Å²	50	62.5 Å²	62.5	23%	0.234	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	49	43	-179.8	-58.4	-173.5	-8.1	0	0	113.9	S227 F228 R229 Q233 S234 H237 G239 H240	S227-Q231 PolarHBondContact O-N 3.38Å; F228-Q231 WeakPolarHBondContact O-CA 3.08Å; F228-Q231 PolarHBondContact O-N 2.88Å; R229-Q231 PolarHBondContact O-N 2.75Å; Q231-Q233 CarbonylContact O-C 3.46Å; Q231-Q233 PolarHBondContact O-N 2.95Å; Q231-S234 PolarHBondContact O-N 3.14Å; Q231-H237 HydrophobicContact CB-CB 4.34Å; Q231-H237 HydrophobicContact CG-CB 4.09Å; Q231-G239 VanDerWaalsContact NE2-C 3.31Å; Q231-G239 PolarHBondContact NE2-O 3.44Å; Q231-G239 VanDerWaalsContact NE2-O 3.11Å; Q231-H240 PolarHBondContact NE2-CD2 3.4Å; Q231-H240 PolarHBondContact NE2-CE1 3.39Å; Q231-H240 VanDerWaalsContact NE2-CE1 3.26Å; Q231-H240 PolarHBondContact NE2-ND1 2.81Å; Q231-H240 PolarHBondContact NE2-NE2 3.45Å
232	T	96.3	Very high	96.1	Very high	97 Å²	97	59.2 Å²	59.2	60%	0.595	32%	0.319	S	S	*	.	S	Bend	trans	-58.9	-29.1	-171.1	59.5	0	0	0	0	113	S227 N230	S227-T232 PolarHBondContact O-N 3.43Å; S227-T232 PolarHBondContact O-OG1 2.77Å; N230-T232 VanDerWaalsContact C-N 3.26Å; N230-T232 HydrophobicContact CB-CG2 4.08Å; N230-T232 PolarHBondContact O-N 2.79Å
233	Q	95.5	Very high	96	Very high	21 Å²	21	53.5 Å²	53.5	10%	0.098	29%	0.29	C	S	.	.	S	Bend	trans	-102.9	81.1	170	-169.6	-173.7	25.6	0	0	110.5	V203 Q231 I235 H236 H237	V203-Q233 HydrophobicContact CG1-CB 4.43Å; V203-Q233 HydrophobicContact CG1-CG 4.3Å; Q231-Q233 CarbonylContact O-C 3.46Å; Q231-Q233 PolarHBondContact O-N 2.95Å; Q233-I235 HydrophobicContact CG-CG1 3.87Å; Q233-I235 PolarHBondContact O-N 2.83Å; Q233-H236 HydrophobicContact CB-CB 4.23Å; Q233-H236 HydrophobicContact CG-CB 4.13Å; Q233-H236 VanDerWaalsContact O-CB 3.27Å; Q233-H236 WeakPolarHBondContact O-CB 3.4Å; Q233-H236 PolarHBondContact O-N 2.81Å; Q233-H237 PolarHBondContact O-CD2 2.84Å; Q233-H237 VanDerWaalsContact O-CD2 3.28Å
234	S	95.6	Very high	95.9	Very high	89 Å²	89	54.3 Å²	54.3	62%	0.622	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-49.9	-37.5	-175.3	60.6	0	0	0	0	115	Q231 H236 H237	Q231-S234 PolarHBondContact O-N 3.14Å; S234-H236 PolarHBondContact O-N 3.46Å; S234-H237 PolarHBondContact O-N 2.74Å; S234-H237 VanDerWaalsContact O-N 3.14Å; S234-H237 VanDerWaalsContact O-O 3.08Å
235	I	96.2	Very high	95.7	Very high	91 Å²	91	53.2 Å²	53.2	47%	0.467	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-68.9	-10.9	178.6	61.5	165.7	0	0	0	114.7	V191 A197 N205 Q233	V191-I235 VanDerWaalsContact CG1-O 3.27Å; V191-I235 WeakPolarHBondContact CG1-O 3.38Å; A197-I235 HydrophobicContact CB-CD1 3.86Å; A197-I235 HydrophobicContact CB-CG1 3.75Å; N205-I235 WeakPolarHBondContact OD1-CD1 3.29Å; Q233-I235 HydrophobicContact CG-CG1 3.87Å; Q233-I235 PolarHBondContact O-N 2.83Å
236	H	96.9	Very high	95.5	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-86.2	-29.1	172.7	176.5	65.8	0	0	0	111.8	T190 V191 A197 C199 R223 Q233 S234	T190-H236 CarbonylContact C-O 3.51Å; T190-H236 VanDerWaalsContact CA-O 3.28Å; T190-H236 WeakPolarHBondContact CA-O 3.16Å; T190-H236 WeakPolarHBondContact CB-O 3.39Å; T190-H236 WeakPolarHBondContact CG2-NE2 3.27Å; V191-H236 PolarHBondContact N-O 3.41Å; A197-H236 HydrophobicContact CB-CB 3.98Å; A197-H236 PolarHBondContact O-ND1 2.72Å; C199-H236 PolarHBondContact O-CE1 2.97Å; R223-H236 PolarHBondContact NE-CD2 3.17Å; R223-H236 PolarHBondContact NH2-ND1 2.87Å; Q233-H236 HydrophobicContact CB-CB 4.23Å; Q233-H236 HydrophobicContact CG-CB 4.13Å; Q233-H236 VanDerWaalsContact O-CB 3.27Å; Q233-H236 WeakPolarHBondContact O-CB 3.4Å; Q233-H236 PolarHBondContact O-N 2.81Å; S234-H236 PolarHBondContact O-N 3.46Å
237	H	96	Very high	95.2	Very high	18 Å²	18	50.9 Å²	50.9	8%	0.083	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-99.2	142.6	-173.1	-59.8	-85.7	0	0	0	111.3	F228 Q231 Q233 S234	F228-H237 AromaticContact CD2-CE1 3.65Å; F228-H237 AromaticContact CE2-CE1 3.81Å; F228-H237 AromaticContact CG-CE1 3.84Å; F228-H237 PolarHBondContact O-CE1 3.45Å; F228-H237 VanDerWaalsContact O-CE1 3.25Å; Q231-H237 HydrophobicContact CB-CB 4.34Å; Q231-H237 HydrophobicContact CG-CB 4.09Å; Q233-H237 PolarHBondContact O-CD2 2.84Å; Q233-H237 VanDerWaalsContact O-CD2 3.28Å; S234-H237 PolarHBondContact O-N 2.74Å; S234-H237 VanDerWaalsContact O-N 3.14Å; S234-H237 VanDerWaalsContact O-O 3.08Å
238	Q	93.1	Very high	95.1	Very high	140 Å²	140	50.8 Å²	50.8	65%	0.654	28%	0.279	S	S	*	.	S	Bend	trans	-109.8	-5.9	172.4	-61.5	-170	-5.6	0	0	112.3	C189 V191	C189-Q238 WeakPolarHBondContact O-CA 3.46Å; C189-Q238 PolarHBondContact O-N 3.11Å; V191-Q238 HydrophobicContact CG1-CG 4.1Å
239	G	93.1	Very high	95.1	Very high	27 Å²	27	53 Å²	53	28%	0.278	29%	0.292	S	S	.	.	S	Bend	trans	161.5	-176.2	-179.1	0	0	0	0	0	110.1	C189 Q231	C189-G239 WeakPolarHBondContact CB-O 3.41Å; C189-G239 PolarHBondContact O-N 3.25Å; Q231-G239 VanDerWaalsContact NE2-C 3.31Å; Q231-G239 PolarHBondContact NE2-O 3.44Å; Q231-G239 VanDerWaalsContact NE2-O 3.11Å
240	H	94.2	Very high	95.1	Very high	106 Å²	106	50.3 Å²	50.3	49%	0.491	28%	0.282	S	S	.	.			trans	-87.1	133.7	172.9	-72.8	-81.6	0	0	0	110.8	N143 Q231 E244	N143-H240 PolarHBondContact ND2-O 3.04Å; Q231-H240 PolarHBondContact NE2-CD2 3.4Å; Q231-H240 PolarHBondContact NE2-CE1 3.39Å; Q231-H240 VanDerWaalsContact NE2-CE1 3.26Å; Q231-H240 PolarHBondContact NE2-ND1 2.81Å; Q231-H240 PolarHBondContact NE2-NE2 3.45Å; H240-E244 VanDerWaalsContact CA-OE1 3.24Å; H240-E244 WeakPolarHBondContact CA-OE1 3.39Å; H240-E244 IonicContact CE1-OE2 3.8Å; H240-E244 IonicContact CG-OE1 3.91Å; H240-E244 IonicContact CG-OE2 3.91Å; H240-E244 IonicContact ND1-OE1 3.47Å; H240-E244 PolarHBondContact ND1-OE1 3.1Å; H240-E244 IonicContact ND1-OE2 2.9Å; H240-E244 PolarHBondContact ND1-OE2 2.98Å
241	S	93.7	Very high	95	Very high	5 Å²	5	45.6 Å²	45.6	4%	0.035	26%	0.257	C	S	.	.			trans	-75.8	140.1	171.9	177.8	0	0	0	0	110.6	V187 F243 E244	V187-S241 VanDerWaalsContact O-CB 3.3Å; V187-S241 WeakPolarHBondContact O-CB 3.31Å; V187-S241 PolarHBondContact O-OG 3.24Å; S241-F243 PolarHBondContact O-N 2.76Å; S241-F243 WeakPolarHBondContact OG-CB 3.43Å; S241-F243 PolarHBondContact OG-N 3.47Å; S241-F243 VanDerWaalsContact OG-N 3.09Å; S241-E244 PolarHBondContact N-OE1 3.41Å; S241-E244 VanDerWaalsContact O-CB 3.27Å; S241-E244 WeakPolarHBondContact O-CB 3.48Å; S241-E244 PolarHBondContact O-N 3.34Å
242	I	92.3	Very high	95	Very high	39 Å²	39	46.9 Å²	46.9	20%	0.2	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-61.7	-21.2	170.2	-167.8	151.4	0	0	0	112.8	N143 A147 I150 E244 S245	N143-I242 HydrophobicContact CB-CB 4.24Å; N143-I242 HydrophobicContact CB-CG2 4.44Å; N143-I242 WeakPolarHBondContact OD1-CG2 3.32Å; N143-I242 PolarHBondContact OD1-N 2.82Å; A147-I242 VanDerWaalsContact CA-CD1 3.47Å; A147-I242 HydrophobicContact CB-CD1 3.62Å; I150-I242 HydrophobicContact CB-CG1 4.16Å; I150-I242 HydrophobicContact CB-CG2 4.31Å; I150-I242 HydrophobicContact CG1-CG2 3.79Å; I150-I242 HydrophobicContact CG2-CG1 3.91Å; I150-I242 HydrophobicContact CG2-CG2 4.3Å; I242-E244 PolarHBondContact O-N 3.03Å; I242-S245 VanDerWaalsContact O-CB 3.31Å; I242-S245 WeakPolarHBondContact O-CB 3.38Å; I242-S245 PolarHBondContact O-N 3.42Å; I242-S245 VanDerWaalsContact O-N 3.09Å; I242-S245 PolarHBondContact O-OG 3.43Å
243	F	94.8	Very high	95	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-66.3	-22.9	172.9	-82.2	-99.3	0	0	0	112.7	I99 F142 I150 L174 V177 V187 S241 S245 L246 I248 M250 F254	I99-F243 HydrophobicContact CD1-CE2 4.14Å; I99-F243 HydrophobicContact CD1-CZ 3.6Å; F142-F243 HydrophobicContact CE1-CD2 4.27Å; F142-F243 AromaticContact CE1-CE2 3.74Å; F142-F243 HydrophobicContact CE1-CE2 3.74Å; F142-F243 HydrophobicContact CZ-CE2 4.08Å; I150-F243 HydrophobicContact CD1-CD1 4.45Å; I150-F243 HydrophobicContact CD1-CD2 4.03Å; I150-F243 HydrophobicContact CD1-CE1 3.85Å; I150-F243 HydrophobicContact CD1-CE2 3.35Å; I150-F243 HydrophobicContact CD1-CZ 3.24Å; I150-F243 HydrophobicContact CG1-CE2 4.14Å; I150-F243 HydrophobicContact CG1-CZ 4.45Å; L174-F243 HydrophobicContact CD2-CE1 4.46Å; V177-F243 HydrophobicContact CG1-CE1 4.17Å; V177-F243 HydrophobicContact CG1-CZ 4.35Å; V177-F243 HydrophobicContact CG2-CD1 4.23Å; V177-F243 HydrophobicContact CG2-CE1 3.73Å; V187-F243 HydrophobicContact CG1-CD2 3.5Å; V187-F243 VanDerWaalsContact CG1-CD2 3.5Å; V187-F243 HydrophobicContact CG1-CE2 3.4Å; V187-F243 HydrophobicContact CG1-CG 4.21Å; V187-F243 HydrophobicContact CG1-CZ 4.06Å; S241-F243 PolarHBondContact O-N 2.76Å; S241-F243 WeakPolarHBondContact OG-CB 3.43Å; S241-F243 PolarHBondContact OG-N 3.47Å; S241-F243 VanDerWaalsContact OG-N 3.09Å; F243-S245 PolarHBondContact O-N 3.35Å; F243-S245 VanDerWaalsContact O-N 3.12Å; F243-L246 HydrophobicContact CD1-CD1 3.7Å; F243-L246 HydrophobicContact CE1-CD1 4.16Å; F243-L246 HydrophobicContact CG-CD1 4.41Å; F243-L246 WeakPolarHBondContact O-CB 3.38Å; F243-L246 PolarHBondContact O-N 2.9Å; F243-I248 HydrophobicContact CB-CD1 4.44Å; F243-I248 HydrophobicContact CD1-CD1 3.97Å; F243-M250 HydrophobicContact CB-CE 3.89Å; F243-M250 HydrophobicContact CB-SD 3.97Å; F243-F254 HydrophobicContact CB-CZ 4.16Å; F243-F254 AromaticContact CD1-CZ 3.82Å; F243-F254 HydrophobicContact CD1-CZ 3.82Å; F243-F254 HydrophobicContact CE1-CZ 4.38Å; F243-F254 AromaticContact CG-CZ 3.96Å; F243-F254 HydrophobicContact CG-CZ 3.96Å
244	E	95.5	Very high	95	Very high	26 Å²	26	42.2 Å²	42.2	12%	0.121	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-63.3	-16.8	172.2	-64.7	172.7	-122.3	0	0	111.6	F228 R229 H240 S241 I242 L246 M250	F228-E244 HydrophobicContact CE1-CG 4.38Å; R229-E244 HydrophobicContact CG-CG 4.45Å; R229-E244 PolarHBondContact NH1-O 2.69Å; H240-E244 VanDerWaalsContact CA-OE1 3.24Å; H240-E244 WeakPolarHBondContact CA-OE1 3.39Å; H240-E244 IonicContact CE1-OE2 3.8Å; H240-E244 IonicContact CG-OE1 3.91Å; H240-E244 IonicContact CG-OE2 3.91Å; H240-E244 IonicContact ND1-OE1 3.47Å; H240-E244 PolarHBondContact ND1-OE1 3.1Å; H240-E244 IonicContact ND1-OE2 2.9Å; H240-E244 PolarHBondContact ND1-OE2 2.98Å; S241-E244 PolarHBondContact N-OE1 3.41Å; S241-E244 VanDerWaalsContact O-CB 3.27Å; S241-E244 WeakPolarHBondContact O-CB 3.48Å; S241-E244 PolarHBondContact O-N 3.34Å; I242-E244 PolarHBondContact O-N 3.03Å; E244-L246 PolarHBondContact O-N 3.1Å; E244-M250 HydrophobicContact CG-CE 4.11Å; E244-M250 HydrophobicContact CG-CG 4.05Å; E244-M250 HydrophobicContact CG-SD 4.05Å
245	S	93.9	Very high	95	Very high	51 Å²	51	40.2 Å²	40.2	36%	0.357	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-76.5	-10.5	174.8	75.4	0	0	0	0	114.4	K154 I242 F243	K154-S245 WeakPolarHBondContact CE-O 3.27Å; K154-S245 PolarHBondContact NZ-O 2.88Å; I242-S245 VanDerWaalsContact O-CB 3.31Å; I242-S245 WeakPolarHBondContact O-CB 3.38Å; I242-S245 PolarHBondContact O-N 3.42Å; I242-S245 VanDerWaalsContact O-N 3.09Å; I242-S245 PolarHBondContact O-OG 3.43Å; F243-S245 PolarHBondContact O-N 3.35Å; F243-S245 VanDerWaalsContact O-N 3.12Å
246	L	94	Very high	94.7	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.021	22%	0.223	C	C	.	.	S	Bend	trans	-91.1	151.4	179.9	-59	177.2	0	0	0	111.1	I150 I153 K154 L174 R229 F243 E244 I248	I150-L246 HydrophobicContact CG2-CD1 4.16Å; I150-L246 HydrophobicContact CG2-CD2 4.09Å; I150-L246 HydrophobicContact CG2-CG 4.08Å; I153-L246 HydrophobicContact CG2-CD1 4.05Å; I153-L246 HydrophobicContact CG2-CD2 4.18Å; K154-L246 HydrophobicContact CB-CD2 3.48Å; K154-L246 VanDerWaalsContact CB-CD2 3.48Å; K154-L246 HydrophobicContact CG-CD2 4.05Å; L174-L246 HydrophobicContact CD2-CD1 3.9Å; R229-L246 PolarHBondContact NH2-O 3.28Å; F243-L246 HydrophobicContact CD1-CD1 3.7Å; F243-L246 HydrophobicContact CE1-CD1 4.16Å; F243-L246 HydrophobicContact CG-CD1 4.41Å; F243-L246 WeakPolarHBondContact O-CB 3.38Å; F243-L246 PolarHBondContact O-N 2.9Å; E244-L246 PolarHBondContact O-N 3.1Å; L246-I248 HydrophobicContact CB-CD1 4.15Å; L246-I248 HydrophobicContact CB-CG1 3.98Å; L246-I248 HydrophobicContact CB-CG2 4.2Å; L246-I248 HydrophobicContact CD1-CD1 4.09Å; L246-I248 PolarHBondContact O-N 3.46Å
247	P	91.5	Very high	94.2	Very high	92 Å²	92	40.2 Å²	40.2	60%	0.597	23%	0.229	S	C	*	.	S	Bend	trans	-77.5	58.2	174.9	34.9	-37	0	0	0	111.3
248	I	95.2	Very high	93.5	Very high	16 Å²	16	42.7 Å²	42.7	8%	0.082	25%	0.246	C	C	.	.	S	Bend	trans	-127.9	157.9	-179.2	68.7	178	0	0	0	110.9	L174 R229 F243 L246 M250 T253 F254	L174-I248 HydrophobicContact CB-CG2 4.17Å; L174-I248 HydrophobicContact CD2-CD1 4.23Å; L174-I248 HydrophobicContact CD2-CG2 4.24Å; L174-I248 HydrophobicContact CG-CG2 4.42Å; R229-I248 PolarHBondContact NH2-O 3.03Å; F243-I248 HydrophobicContact CB-CD1 4.44Å; F243-I248 HydrophobicContact CD1-CD1 3.97Å; L246-I248 HydrophobicContact CB-CD1 4.15Å; L246-I248 HydrophobicContact CB-CG1 3.98Å; L246-I248 HydrophobicContact CB-CG2 4.2Å; L246-I248 HydrophobicContact CD1-CD1 4.09Å; L246-I248 PolarHBondContact O-N 3.46Å; I248-M250 HydrophobicContact CD1-SD 4.35Å; I248-M250 HydrophobicContact CG1-SD 4.29Å; I248-T253 HydrophobicContact CB-CG2 4.14Å; I248-T253 HydrophobicContact CD1-CG2 4.13Å; I248-T253 HydrophobicContact CG2-CG2 4.34Å; I248-F254 HydrophobicContact CD1-CE2 4.13Å
249	D	97	Very high	93.1	Very high	57 Å²	57	39.1 Å²	39.1	31%	0.305	23%	0.23	S	C	.	.			trans	-86	119.6	170.9	173.9	-29.2	0	0	0	109.5	D225 I251 S252 T253	D225-D249 HydrophobicContact CB-CB 4.38Å; D225-D249 WeakPolarHBondContact OD1-CA 3.17Å; D249-I251 PolarHBondContact O-N 3.47Å; D249-I251 VanDerWaalsContact O-N 3.14Å; D249-I251 WeakPolarHBondContact OD1-CA 3.4Å; D249-I251 WeakPolarHBondContact OD1-CB 3.41Å; D249-I251 PolarHBondContact OD1-N 3.02Å; D249-S252 WeakPolarHBondContact CB-OG 3.46Å; D249-S252 PolarHBondContact OD1-N 2.95Å; D249-S252 PolarHBondContact OD1-OG 3.43Å; D249-S252 PolarHBondContact OD2-OG 3.19Å; D249-T253 PolarHBondContact N-OG1 2.92Å; D249-T253 WeakPolarHBondContact O-CB 3.39Å; D249-T253 PolarHBondContact O-N 3.43Å; D249-T253 PolarHBondContact O-OG1 3.4Å
250	M	97.4	Very high	92.5	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.03	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-10.1	-175.8	-67.7	-57.9	-60.5	0	0	114.2	D225 F228 R229 F243 E244 I248 F254	D225-M250 WeakPolarHBondContact OD1-CB 3.3Å; D225-M250 PolarHBondContact OD1-N 3.34Å; F228-M250 HydrophobicContact CB-CB 4.36Å; F228-M250 HydrophobicContact CD1-CB 3.61Å; F228-M250 HydrophobicContact CD1-CE 4.41Å; F228-M250 HydrophobicContact CD1-CG 3.92Å; F228-M250 HydrophobicContact CE1-CB 4.04Å; F228-M250 HydrophobicContact CE1-CE 3.75Å; F228-M250 HydrophobicContact CE1-CG 4.21Å; F228-M250 HydrophobicContact CG-CB 3.95Å; F228-M250 HydrophobicContact CZ-CE 4.22Å; R229-M250 HydrophobicContact CG-CG 4.45Å; F243-M250 HydrophobicContact CB-CE 3.89Å; F243-M250 HydrophobicContact CB-SD 3.97Å; E244-M250 HydrophobicContact CG-CE 4.11Å; E244-M250 HydrophobicContact CG-CG 4.05Å; E244-M250 HydrophobicContact CG-SD 4.05Å; I248-M250 HydrophobicContact CD1-SD 4.35Å; I248-M250 HydrophobicContact CG1-SD 4.29Å; M250-F254 HydrophobicContact CE-CE2 3.78Å; M250-F254 HydrophobicContact CE-CZ 4.18Å; M250-F254 WeakPolarHBondContact O-CD2 3.25Å; M250-F254 HydrophobicContact SD-CE2 4Å
251	I	96.9	Very high	92	Very high	22 Å²	22	40.2 Å²	40.2	11%	0.113	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-55.2	176.1	-54.1	-56.5	0	0	0	110.8	R201 R223 F228 D249 F254	R201-I251 PolarHBondContact NH1-O 3.32Å; R223-I251 HydrophobicContact CB-CD1 3.66Å; R223-I251 HydrophobicContact CB-CG1 4.1Å; F228-I251 HydrophobicContact CB-CD1 4.12Å; F228-I251 HydrophobicContact CD2-CD1 3.87Å; F228-I251 HydrophobicContact CG-CD1 4.29Å; D249-I251 PolarHBondContact O-N 3.47Å; D249-I251 VanDerWaalsContact O-N 3.14Å; D249-I251 WeakPolarHBondContact OD1-CA 3.4Å; D249-I251 WeakPolarHBondContact OD1-CB 3.41Å; D249-I251 PolarHBondContact OD1-N 3.02Å; I251-F254 PolarHBondContact O-N 3.17Å
252	S	95.7	Very high	91.6	Very high	77 Å²	77	43 Å²	43	54%	0.538	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-32.2	-173	64	0	0	0	0	113.1	D249 F254	D249-S252 WeakPolarHBondContact CB-OG 3.46Å; D249-S252 PolarHBondContact OD1-N 2.95Å; D249-S252 PolarHBondContact OD1-OG 3.43Å; D249-S252 PolarHBondContact OD2-OG 3.19Å; S252-F254 PolarHBondContact O-N 2.81Å
253	T	96.5	Very high	91.3	Very high	10 Å²	10	47.9 Å²	47.9	6%	0.061	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-15.6	176.5	-42.8	0	0	0	0	112.3	L174 A176 V177 I248 D249 P255	L174-T253 HydrophobicContact CG-CG2 4.38Å; A176-T253 CarbonylContact C-O 3.59Å; A176-T253 VanDerWaalsContact CA-O 3.31Å; A176-T253 WeakPolarHBondContact CA-O 3.49Å; V177-T253 HydrophobicContact CG2-CG2 4.28Å; V177-T253 PolarHBondContact N-O 3.21Å; I248-T253 HydrophobicContact CB-CG2 4.14Å; I248-T253 HydrophobicContact CD1-CG2 4.13Å; I248-T253 HydrophobicContact CG2-CG2 4.34Å; D249-T253 PolarHBondContact N-OG1 2.92Å; D249-T253 WeakPolarHBondContact O-CB 3.39Å; D249-T253 PolarHBondContact O-N 3.43Å; D249-T253 PolarHBondContact O-OG1 3.4Å; T253-P255 WeakPolarHBondContact O-CD 3.47Å
254	F	96.1	Very high	90.7	Very high	10 Å²	10	51.2 Å²	51.2	4%	0.044	28%	0.281	C	S	.	.	S	Bend	trans	-106	77.8	178.3	-73.1	-93.9	0	0	0	110.4	V177 R184 V187 R201 F243 I248 M250 I251 S252	V177-F254 HydrophobicContact CB-CD1 3.83Å; V177-F254 HydrophobicContact CB-CE1 3.59Å; V177-F254 HydrophobicContact CB-CG 4.42Å; V177-F254 HydrophobicContact CB-CZ 3.98Å; V177-F254 HydrophobicContact CG1-CD1 4Å; V177-F254 HydrophobicContact CG1-CE1 3.46Å; V177-F254 VanDerWaalsContact CG1-CE1 3.46Å; V177-F254 HydrophobicContact CG1-CZ 4.09Å; V177-F254 HydrophobicContact CG2-CE1 4.25Å; V177-F254 HydrophobicContact CG2-CZ 4.14Å; R184-F254 HydrophobicContact CG-CD1 4.44Å; V187-F254 HydrophobicContact CG1-CE1 3.64Å; V187-F254 HydrophobicContact CG1-CZ 4.02Å; R201-F254 PolarHBondContact NH2-O 2.99Å; F243-F254 HydrophobicContact CB-CZ 4.16Å; F243-F254 AromaticContact CD1-CZ 3.82Å; F243-F254 HydrophobicContact CD1-CZ 3.82Å; F243-F254 HydrophobicContact CE1-CZ 4.38Å; F243-F254 AromaticContact CG-CZ 3.96Å; F243-F254 HydrophobicContact CG-CZ 3.96Å; I248-F254 HydrophobicContact CD1-CE2 4.13Å; M250-F254 HydrophobicContact CE-CE2 3.78Å; M250-F254 HydrophobicContact CE-CZ 4.18Å; M250-F254 WeakPolarHBondContact O-CD2 3.25Å; M250-F254 HydrophobicContact SD-CE2 4Å; I251-F254 PolarHBondContact O-N 3.17Å; S252-F254 PolarHBondContact O-N 2.81Å
255	P	94.4	Very high	90.3	Very high	46 Å²	46	51 Å²	51	30%	0.299	29%	0.285	S	S	.	.			trans	-63.3	150.6	178.5	28.1	-35.9	0	0	0	111.2	A176 I178 R184 T253 D257	A176-P255 HydrophobicContact CB-CG 4.13Å; I178-P255 HydrophobicContact CG1-CG 4.25Å; R184-P255 PolarHBondContact NH2-O 2.82Å; T253-P255 WeakPolarHBondContact O-CD 3.47Å; P255-D257 PolarHBondContact O-N 2.75Å
256	L	91.6	Very high	89.8	Confident	71 Å²	71	52.3 Å²	52.3	37%	0.372	29%	0.29	S	S	.	.			trans	-73.2	121.9	169.6	-59.3	-176.8	0	0	0	108	R201 P258	R201-L256 HydrophobicContact CG-CD1 4.28Å; L256-P258 WeakPolarHBondContact O-CD 3.4Å
257	D	86.2	Confident	89.6	Confident	22 Å²	22	55.7 Å²	55.7	12%	0.118	31%	0.308	C	S	.	.			trans	-68.5	113.7	-179.2	-178.7	2.5	0	0	0	111.3	I178 P255 M259 H260 M261	I178-D257 HydrophobicContact CG2-CB 4.37Å; P255-D257 PolarHBondContact O-N 2.75Å; D257-M259 PolarHBondContact O-N 3.04Å; D257-M259 VanDerWaalsContact OD1-CB 3.27Å; D257-M259 WeakPolarHBondContact OD1-CB 3.36Å; D257-M259 PolarHBondContact OD1-N 3.36Å; D257-H260 PolarHBondContact O-N 2.73Å; D257-H260 IonicContact OD2-CE1 3.83Å; D257-H260 PolarHBondContact OD2-CE1 3.04Å; D257-H260 IonicContact OD2-CG 3.16Å; D257-H260 IonicContact OD2-ND1 3.95Å; D257-H260 PolarHBondContact OD2-ND1 3.09Å; D257-M261 PolarHBondContact O-N 3.12Å; D257-M261 VanDerWaalsContact O-N 3.16Å
258	P	81.7	Confident	89.2	Confident	69 Å²	69	56.1 Å²	56.1	45%	0.448	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-28	177.9	-21	34.5	0	0	0	112.9	L256 V262 Y263	L256-P258 WeakPolarHBondContact O-CD 3.4Å; P258-V262 HydrophobicContact CB-CG2 4.49Å; P258-V262 WeakPolarHBondContact O-CA 3.38Å; P258-V262 VanDerWaalsContact O-CB 3.27Å; P258-V262 WeakPolarHBondContact O-CB 3.44Å; P258-V262 PolarHBondContact O-N 3.09Å; P258-Y263 HydrophobicContact CB-CE2 4.48Å; P258-Y263 PolarHBondContact O-N 2.92Å; P258-Y263 VanDerWaalsContact O-N 3.17Å
259	M	84.2	Confident	88.7	Confident	65 Å²	65	62.4 Å²	62.4	32%	0.32	33%	0.327	S	S	.	.	I	π-helix	trans	-60.8	-50	179.7	-173	-168.6	68.6	0	0	111.3	D257 Y263 L264	D257-M259 PolarHBondContact O-N 3.04Å; D257-M259 VanDerWaalsContact OD1-CB 3.27Å; D257-M259 WeakPolarHBondContact OD1-CB 3.36Å; D257-M259 PolarHBondContact OD1-N 3.36Å; M259-Y263 HydrophobicContact CB-CD2 4.36Å; M259-Y263 PolarHBondContact O-N 3.35Å; M259-L264 HydrophobicContact CE-CD1 4.23Å; M259-L264 HydrophobicContact CG-CD1 4.29Å; M259-L264 HydrophobicContact CG-CG 4.42Å; M259-L264 WeakPolarHBondContact O-CB 3.28Å; M259-L264 WeakPolarHBondContact O-CG 3.36Å; M259-L264 PolarHBondContact O-N 3.43Å
260	H	80.9	Confident	88.1	Confident	52 Å²	52	62.8 Å²	62.8	24%	0.241	33%	0.329	C	S	.	.	I	π-helix	trans	-74.2	-41.3	-179.5	-71.3	99.6	0	0	0	112.5	D180 D257 G265	D180-H260 VanDerWaalsContact CB-CE1 3.41Å; D180-H260 WeakPolarHBondContact CB-CE1 3.46Å; D257-H260 PolarHBondContact O-N 2.73Å; D257-H260 IonicContact OD2-CE1 3.83Å; D257-H260 PolarHBondContact OD2-CE1 3.04Å; D257-H260 IonicContact OD2-CG 3.16Å; D257-H260 IonicContact OD2-ND1 3.95Å; D257-H260 PolarHBondContact OD2-ND1 3.09Å; H260-G265 WeakPolarHBondContact O-CA 3.39Å; H260-G265 PolarHBondContact O-N 3.16Å
261	M	83.3	Confident	87.6	Confident	105 Å²	105	65.3 Å²	65.3	52%	0.517	34%	0.344	S	S	.	.	I	π-helix	trans	-79.9	-47	-173.8	-67.4	-60.4	-64.5	0	0	112.8	D257 G265 V266	D257-M261 PolarHBondContact O-N 3.12Å; D257-M261 VanDerWaalsContact O-N 3.16Å; M261-G265 WeakPolarHBondContact O-CA 3.45Å; M261-V266 PolarHBondContact O-N 3.17Å; M261-V266 VanDerWaalsContact O-N 3.17Å
262	V	84.2	Confident	87.1	Confident	64 Å²	64	67.3 Å²	67.3	39%	0.388	36%	0.358	S	S	.	.	I	π-helix	trans	-93.3	-61	-173.2	-175.9	0	0	0	0	109.8	P258 V266 I267	P258-V262 HydrophobicContact CB-CG2 4.49Å; P258-V262 WeakPolarHBondContact O-CA 3.38Å; P258-V262 VanDerWaalsContact O-CB 3.27Å; P258-V262 WeakPolarHBondContact O-CB 3.44Å; P258-V262 PolarHBondContact O-N 3.09Å; V262-V266 PolarHBondContact O-N 2.99Å; V262-I267 HydrophobicContact CG1-CG1 4.2Å; V262-I267 WeakPolarHBondContact O-CG1 3.46Å; V262-I267 PolarHBondContact O-N 3.44Å
263	Y	86.4	Confident	86.4	Confident	141 Å²	141	67.6 Å²	67.6	55%	0.553	35%	0.353	S	S	*	.	I	π-helix	trans	-71.7	-58.2	-170.3	-52.2	-43.2	0	0	0	112.3	P258 M259 G265 I267 K268	P258-Y263 HydrophobicContact CB-CE2 4.48Å; P258-Y263 PolarHBondContact O-N 2.92Å; P258-Y263 VanDerWaalsContact O-N 3.17Å; M259-Y263 HydrophobicContact CB-CD2 4.36Å; M259-Y263 PolarHBondContact O-N 3.35Å; Y263-G265 VanDerWaalsContact C-N 3.34Å; Y263-I267 HydrophobicContact CD1-CG1 4.45Å; Y263-I267 WeakPolarHBondContact O-CB 3.49Å; Y263-K268 PolarHBondContact O-N 3.21Å; Y263-K268 VanDerWaalsContact O-N 3.09Å
264	L	83.4	Confident	85.8	Confident	70 Å²	70	74.8 Å²	74.8	37%	0.366	38%	0.379	S	S	.	.	I	π-helix	trans	-75.5	-24.2	178.2	-62.3	179.1	0	0	0	112.8	M259 K268 W310	M259-L264 HydrophobicContact CE-CD1 4.23Å; M259-L264 HydrophobicContact CG-CD1 4.29Å; M259-L264 HydrophobicContact CG-CG 4.42Å; M259-L264 WeakPolarHBondContact O-CB 3.28Å; M259-L264 WeakPolarHBondContact O-CG 3.36Å; M259-L264 PolarHBondContact O-N 3.43Å; L264-K268 WeakPolarHBondContact O-CB 3.48Å; L264-K268 WeakPolarHBondContact O-CD 3.49Å; L264-W310 HydrophobicContact CD2-CH2 3.61Å; L264-W310 HydrophobicContact CD2-CZ2 4.06Å
265	G	85.1	Confident	85.2	Confident	20 Å²	20	78.5 Å²	78.5	21%	0.206	40%	0.398	C	S	.	.	I	π-helix	trans	-87.9	-75.7	-177.8	0	0	0	0	0	113.3	H260 M261 Y263 K269	H260-G265 WeakPolarHBondContact O-CA 3.39Å; H260-G265 PolarHBondContact O-N 3.16Å; M261-G265 WeakPolarHBondContact O-CA 3.45Å; Y263-G265 VanDerWaalsContact C-N 3.34Å; G265-K269 WeakPolarHBondContact O-CD 3.48Å; G265-K269 VanDerWaalsContact O-CG 3.31Å; G265-K269 WeakPolarHBondContact O-CG 3.27Å
266	V	85	Confident	84.6	Confident	79 Å²	79	81 Å²	81	48%	0.479	41%	0.406	S	S	.	.	I	π-helix	trans	-76.9	-52.3	-173.9	177.6	0	0	0	0	111.8	M261 V262 K268 K269 L270	M261-V266 PolarHBondContact O-N 3.17Å; M261-V266 VanDerWaalsContact O-N 3.17Å; V262-V266 PolarHBondContact O-N 2.99Å; V266-K268 PolarHBondContact O-N 3.25Å; V266-K269 PolarHBondContact O-N 3.43Å; V266-K269 VanDerWaalsContact O-N 3.14Å; V266-L270 HydrophobicContact CG1-CD1 3.89Å; V266-L270 HydrophobicContact CG1-CG 4.3Å; V266-L270 WeakPolarHBondContact O-CG 3.49Å; V266-L270 PolarHBondContact O-N 2.98Å
267	I	88.4	Confident	84.1	Confident	76 Å²	76	81.7 Å²	81.7	39%	0.39	41%	0.41	S	S	.	.	I	π-helix	trans	-62.8	-44.5	-174.6	-60.4	-57.2	0	0	0	110.3	V262 Y263 K269 L270 V271	V262-I267 HydrophobicContact CG1-CG1 4.2Å; V262-I267 WeakPolarHBondContact O-CG1 3.46Å; V262-I267 PolarHBondContact O-N 3.44Å; Y263-I267 HydrophobicContact CD1-CG1 4.45Å; Y263-I267 WeakPolarHBondContact O-CB 3.49Å; I267-K269 VanDerWaalsContact C-N 3.32Å; I267-K269 PolarHBondContact O-N 2.83Å; I267-L270 PolarHBondContact O-N 3.39Å; I267-V271 HydrophobicContact CG2-CG2 4.1Å; I267-V271 WeakPolarHBondContact O-CB 3.46Å; I267-V271 WeakPolarHBondContact O-CG2 3.49Å; I267-V271 PolarHBondContact O-N 3.33Å
268	K	84.7	Confident	83.7	Confident	100 Å²	100	81.9 Å²	81.9	44%	0.435	42%	0.416	S	S	.	.	H	α-helix	trans	-52.7	-48.3	173.7	-170.2	-180	-174.2	170.7	0	112.3	Y263 L264 V266 V271 T272 W310	Y263-K268 PolarHBondContact O-N 3.21Å; Y263-K268 VanDerWaalsContact O-N 3.09Å; L264-K268 WeakPolarHBondContact O-CB 3.48Å; L264-K268 WeakPolarHBondContact O-CD 3.49Å; V266-K268 PolarHBondContact O-N 3.25Å; K268-V271 PolarHBondContact O-N 3.11Å; K268-T272 WeakPolarHBondContact O-CB 3.45Å; K268-T272 PolarHBondContact O-N 2.77Å; K268-T272 PolarHBondContact O-OG1 3.26Å; K268-W310 HydrophobicContact CB-CH2 4.28Å; K268-W310 HydrophobicContact CD-CH2 3.71Å; K268-W310 HydrophobicContact CD-CZ3 3.84Å; K268-W310 HydrophobicContact CG-CH2 3.89Å; K268-W310 HydrophobicContact CG-CZ3 4.19Å
269	K	84	Confident	83.5	Confident	149 Å²	149	84.3 Å²	84.3	65%	0.648	42%	0.421	S	S	*	.	H	α-helix	trans	-64.6	-42.3	179.3	-73.3	173.7	-176.2	170.7	0	112.5	G265 V266 I267 T272 L273	G265-K269 WeakPolarHBondContact O-CD 3.48Å; G265-K269 VanDerWaalsContact O-CG 3.31Å; G265-K269 WeakPolarHBondContact O-CG 3.27Å; V266-K269 PolarHBondContact O-N 3.43Å; V266-K269 VanDerWaalsContact O-N 3.14Å; I267-K269 VanDerWaalsContact C-N 3.32Å; I267-K269 PolarHBondContact O-N 2.83Å; K269-T272 PolarHBondContact O-N 3.32Å; K269-L273 VanDerWaalsContact O-CB 3.29Å; K269-L273 WeakPolarHBondContact O-CB 3.49Å; K269-L273 PolarHBondContact O-N 3.06Å
270	L	84.8	Confident	83.2	Confident	65 Å²	65	88.1 Å²	88.1	34%	0.34	44%	0.436	S	S	.	.	H	α-helix	trans	-62.8	-47.1	177.4	-71.7	176.1	0	0	0	111.1	V266 I267 L273 W274	V266-L270 HydrophobicContact CG1-CD1 3.89Å; V266-L270 HydrophobicContact CG1-CG 4.3Å; V266-L270 WeakPolarHBondContact O-CG 3.49Å; V266-L270 PolarHBondContact O-N 2.98Å; I267-L270 PolarHBondContact O-N 3.39Å; L270-L273 PolarHBondContact O-N 3.5Å; L270-W274 HydrophobicContact CB-CH2 4.33Å; L270-W274 HydrophobicContact CB-CZ2 4.21Å; L270-W274 WeakPolarHBondContact O-CB 3.44Å; L270-W274 PolarHBondContact O-N 2.81Å
271	V	86.8	Confident	82.6	Confident	59 Å²	59	95.2 Å²	95.2	36%	0.358	46%	0.461	S	S	.	.	H	α-helix	trans	-62.2	-45.8	177.3	172.5	0	0	0	0	110.9	I267 K268 L273 W274 I275	I267-V271 HydrophobicContact CG2-CG2 4.1Å; I267-V271 WeakPolarHBondContact O-CB 3.46Å; I267-V271 WeakPolarHBondContact O-CG2 3.49Å; I267-V271 PolarHBondContact O-N 3.33Å; K268-V271 PolarHBondContact O-N 3.11Å; V271-L273 PolarHBondContact O-N 3.44Å; V271-W274 HydrophobicContact CG2-CE3 4.37Å; V271-W274 HydrophobicContact CG2-CZ3 4.45Å; V271-W274 PolarHBondContact O-N 3.47Å; V271-I275 HydrophobicContact CG1-CD1 3.72Å; V271-I275 HydrophobicContact CG1-CG1 4.37Å; V271-I275 WeakPolarHBondContact O-CB 3.43Å; V271-I275 VanDerWaalsContact O-CG1 3.27Å; V271-I275 WeakPolarHBondContact O-CG1 3.27Å; V271-I275 PolarHBondContact O-N 2.87Å
272	T	85.1	Confident	81.6	Confident	64 Å²	64	92.2 Å²	92.2	39%	0.393	45%	0.447	S	S	.	.	H	α-helix	trans	-58.7	-46.6	175.1	-59.5	0	0	0	0	111.6	K268 K269 W274 I275 E276	K268-T272 WeakPolarHBondContact O-CB 3.45Å; K268-T272 PolarHBondContact O-N 2.77Å; K268-T272 PolarHBondContact O-OG1 3.26Å; K269-T272 PolarHBondContact O-N 3.32Å; T272-W274 PolarHBondContact O-N 2.97Å; T272-I275 PolarHBondContact O-N 3.2Å; T272-E276 HydrophobicContact CG2-CG 4.49Å; T272-E276 WeakPolarHBondContact O-CG 3.37Å; T272-E276 PolarHBondContact O-N 2.9Å
273	L	82.2	Confident	80.6	Confident	83 Å²	83	97.9 Å²	97.9	44%	0.435	47%	0.466	S	S	.	.	H	α-helix	trans	-60.3	-44.5	177	178.7	66.2	0	0	0	111.6	K269 L270 V271 E276 L277	K269-L273 VanDerWaalsContact O-CB 3.29Å; K269-L273 WeakPolarHBondContact O-CB 3.49Å; K269-L273 PolarHBondContact O-N 3.06Å; L270-L273 PolarHBondContact O-N 3.5Å; V271-L273 PolarHBondContact O-N 3.44Å; L273-E276 PolarHBondContact O-N 2.87Å; L273-L277 HydrophobicContact CD1-CD1 4.08Å; L273-L277 HydrophobicContact CD1-CG 4.2Å; L273-L277 HydrophobicContact CG-CD1 3.93Å; L273-L277 HydrophobicContact CG-CG 4.42Å; L273-L277 WeakPolarHBondContact O-CB 3.32Å; L273-L277 VanDerWaalsContact O-CG 3.24Å; L273-L277 WeakPolarHBondContact O-CG 3.29Å; L273-L277 PolarHBondContact O-N 3.11Å
274	W	84.5	Confident	79.7	Confident	161 Å²	161	98.6 Å²	98.6	61%	0.61	48%	0.48	S	S	*	.	H	α-helix	trans	-65.5	-38.5	177.9	-65.4	-22.9	0	0	0	112.5	L270 V271 T272 G278	L270-W274 HydrophobicContact CB-CH2 4.33Å; L270-W274 HydrophobicContact CB-CZ2 4.21Å; L270-W274 WeakPolarHBondContact O-CB 3.44Å; L270-W274 PolarHBondContact O-N 2.81Å; V271-W274 HydrophobicContact CG2-CE3 4.37Å; V271-W274 HydrophobicContact CG2-CZ3 4.45Å; V271-W274 PolarHBondContact O-N 3.47Å; T272-W274 PolarHBondContact O-N 2.97Å; W274-G278 WeakPolarHBondContact O-CA 3.17Å; W274-G278 PolarHBondContact O-N 3.27Å
275	I	81.9	Confident	78.9	Confident	87 Å²	87	97.8 Å²	97.8	45%	0.446	48%	0.478	S	S	.	.	H	α-helix	trans	-64.6	-45.1	174.1	-69.8	167.5	0	0	0	110.2	V271 T272 G278 H279	V271-I275 HydrophobicContact CG1-CD1 3.72Å; V271-I275 HydrophobicContact CG1-CG1 4.37Å; V271-I275 WeakPolarHBondContact O-CB 3.43Å; V271-I275 VanDerWaalsContact O-CG1 3.27Å; V271-I275 WeakPolarHBondContact O-CG1 3.27Å; V271-I275 PolarHBondContact O-N 2.87Å; T272-I275 PolarHBondContact O-N 3.2Å; I275-G278 CarbonylContact O-C 3.49Å; I275-G278 WeakPolarHBondContact O-CA 3.31Å; I275-G278 PolarHBondContact O-N 3.32Å; I275-H279 VanDerWaalsContact CG2-CE1 3.49Å; I275-H279 WeakPolarHBondContact CG2-CE1 3.43Å; I275-H279 WeakPolarHBondContact O-CB 3.48Å; I275-H279 PolarHBondContact O-N 2.8Å
276	E	82.3	Confident	78.3	Confident	100 Å²	100	101.9 Å²	101.9	47%	0.467	50%	0.495	S	S	.	.	H	α-helix	trans	-64	-45.2	178.5	-74.5	178.7	-170.4	0	0	112.5	T272 L273 G278 H279 K280	T272-E276 HydrophobicContact CG2-CG 4.49Å; T272-E276 WeakPolarHBondContact O-CG 3.37Å; T272-E276 PolarHBondContact O-N 2.9Å; L273-E276 PolarHBondContact O-N 2.87Å; E276-G278 VanDerWaalsContact C-N 3.31Å; E276-H279 PolarHBondContact O-N 3.28Å; E276-K280 WeakPolarHBondContact O-CG 3.27Å; E276-K280 PolarHBondContact O-N 3.45Å
277	L	80.9	Confident	78.1	Confident	85 Å²	85	102.7 Å²	102.7	45%	0.445	50%	0.504	S	S	.	.	H	α-helix	trans	-64.9	-39.1	174.2	-69.9	174.6	0	0	0	111.1	L273 K280 R281	L273-L277 HydrophobicContact CD1-CD1 4.08Å; L273-L277 HydrophobicContact CD1-CG 4.2Å; L273-L277 HydrophobicContact CG-CD1 3.93Å; L273-L277 HydrophobicContact CG-CG 4.42Å; L273-L277 WeakPolarHBondContact O-CB 3.32Å; L273-L277 VanDerWaalsContact O-CG 3.24Å; L273-L277 WeakPolarHBondContact O-CG 3.29Å; L273-L277 PolarHBondContact O-N 3.11Å; L277-K280 PolarHBondContact O-N 3.29Å; L277-R281 WeakPolarHBondContact O-CG 3.28Å; L277-R281 PolarHBondContact O-N 3.46Å
278	G	78.9	Confident	77.6	Confident	25 Å²	25	101.8 Å²	101.8	26%	0.258	50%	0.504	S	S	.	.	H	α-helix	trans	-55.6	-59.6	172.3	0	0	0	0	0	110.6	W274 I275 E276 K280 R281 L282	W274-G278 WeakPolarHBondContact O-CA 3.17Å; W274-G278 PolarHBondContact O-N 3.27Å; I275-G278 CarbonylContact O-C 3.49Å; I275-G278 WeakPolarHBondContact O-CA 3.31Å; I275-G278 PolarHBondContact O-N 3.32Å; E276-G278 VanDerWaalsContact C-N 3.31Å; G278-K280 VanDerWaalsContact C-N 3.3Å; G278-K280 PolarHBondContact O-N 2.9Å; G278-R281 CarbonylContact O-C 3.57Å; G278-R281 PolarHBondContact O-N 2.77Å; G278-L282 VanDerWaalsContact O-CB 3.28Å; G278-L282 WeakPolarHBondContact O-CB 3.35Å; G278-L282 WeakPolarHBondContact O-CG 3.36Å; G278-L282 PolarHBondContact O-N 3.45Å
279	H	75.8	Confident	77.2	Confident	120 Å²	120	100.4 Å²	100.4	56%	0.556	50%	0.504	S	S	*	.	H	α-helix	trans	-55.5	-41.4	177.4	-70.5	170.2	0	0	0	113.1	I275 E276 R281 L282 K283	I275-H279 VanDerWaalsContact CG2-CE1 3.49Å; I275-H279 WeakPolarHBondContact CG2-CE1 3.43Å; I275-H279 WeakPolarHBondContact O-CB 3.48Å; I275-H279 PolarHBondContact O-N 2.8Å; E276-H279 PolarHBondContact O-N 3.28Å; H279-R281 VanDerWaalsContact C-N 3.34Å; H279-R281 PolarHBondContact O-N 2.87Å; H279-L282 PolarHBondContact O-N 2.9Å; H279-K283 PolarHBondContact O-N 2.89Å
280	K	78.6	Confident	76.7	Confident	146 Å²	146	95.9 Å²	95.9	64%	0.635	49%	0.486	S	S	*	.	H	α-helix	trans	-61.8	-40	175.2	-75	174.2	-178.1	173.8	0	112.2	E276 L277 G278	E276-K280 WeakPolarHBondContact O-CG 3.27Å; E276-K280 PolarHBondContact O-N 3.45Å; L277-K280 PolarHBondContact O-N 3.29Å; G278-K280 VanDerWaalsContact C-N 3.3Å; G278-K280 PolarHBondContact O-N 2.9Å
281	R	69.4	Low	76.4	Confident	200 Å²	200	100.1 Å²	100.1	76%	0.755	50%	0.497	S	S	*	.	H	α-helix	trans	-77.5	-34.9	176	-69.9	-177.5	73.4	154.4	2.9	113	L277 G278 H279 K283 N284	L277-R281 WeakPolarHBondContact O-CG 3.28Å; L277-R281 PolarHBondContact O-N 3.46Å; G278-R281 CarbonylContact O-C 3.57Å; G278-R281 PolarHBondContact O-N 2.77Å; H279-R281 VanDerWaalsContact C-N 3.34Å; H279-R281 PolarHBondContact O-N 2.87Å; R281-K283 PolarHBondContact O-N 3.26Å; R281-N284 PolarHBondContact O-N 2.85Å; R281-N284 VanDerWaalsContact O-N 3.15Å
282	L	61.6	Low	76.2	Confident	43 Å²	43	100.8 Å²	100.8	23%	0.225	50%	0.502	C	S	.	.	H	α-helix	trans	-68	-15.1	-178.1	-74.3	175.2	0	0	0	112.8	G278 H279 N284 V285 I290	G278-L282 VanDerWaalsContact O-CB 3.28Å; G278-L282 WeakPolarHBondContact O-CB 3.35Å; G278-L282 WeakPolarHBondContact O-CG 3.36Å; G278-L282 PolarHBondContact O-N 3.45Å; H279-L282 PolarHBondContact O-N 2.9Å; L282-N284 PolarHBondContact O-N 3.48Å; L282-V285 HydrophobicContact CB-CB 4.41Å; L282-V285 HydrophobicContact CD2-CB 3.46Å; L282-V285 VanDerWaalsContact CD2-CB 3.46Å; L282-V285 HydrophobicContact CD2-CG1 3.57Å; L282-V285 HydrophobicContact CD2-CG2 3.74Å; L282-V285 HydrophobicContact CG-CB 4.48Å; L282-V285 PolarHBondContact O-N 3.45Å; L282-I290 HydrophobicContact CB-CD1 4.37Å; L282-I290 HydrophobicContact CD1-CG1 4.32Å; L282-I290 HydrophobicContact CD2-CD1 4.37Å; L282-I290 HydrophobicContact CD2-CG1 3.84Å
283	K	63.8	Low	75.8	Confident	182 Å²	182	101.1 Å²	101.1	79%	0.791	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-23.6	166.5	-73.8	-170.8	176.7	-173.9	0	112.9	H279 R281	H279-K283 PolarHBondContact O-N 2.89Å; R281-K283 PolarHBondContact O-N 3.26Å
284	N	67.3	Low	75.7	Confident	156 Å²	156	101.5 Å²	101.5	83%	0.834	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	9.4	177.1	-63.9	-16.6	0	0	0	114	R281 L282	R281-N284 PolarHBondContact O-N 2.85Å; R281-N284 VanDerWaalsContact O-N 3.15Å; L282-N284 PolarHBondContact O-N 3.48Å
285	V	66.2	Low	75.6	Confident	54 Å²	54	100.7 Å²	100.7	33%	0.327	50%	0.503	S	S	.	.	S	Bend	trans	-103.5	137	-173.8	175.5	0	0	0	0	111.1	L282 S287 V289	L282-V285 HydrophobicContact CB-CB 4.41Å; L282-V285 HydrophobicContact CD2-CB 3.46Å; L282-V285 VanDerWaalsContact CD2-CB 3.46Å; L282-V285 HydrophobicContact CD2-CG1 3.57Å; L282-V285 HydrophobicContact CD2-CG2 3.74Å; L282-V285 HydrophobicContact CG-CB 4.48Å; L282-V285 PolarHBondContact O-N 3.45Å; V285-S287 PolarHBondContact O-N 3.14Å; V285-V289 HydrophobicContact CG1-CB 3.7Å; V285-V289 HydrophobicContact CG1-CG1 3.85Å; V285-V289 HydrophobicContact CG1-CG2 4.25Å
286	N	73.3	Confident	75.6	Confident	105 Å²	105	101.5 Å²	101.5	56%	0.561	51%	0.508	S	S	*	.			trans	-55.6	135.7	-179.9	-173.7	-43.4	0	0	0	111.4	C288 V289 I290	N286-C288 PolarHBondContact O-N 3.05Å; N286-C288 WeakPolarHBondContact OD1-CB 3.33Å; N286-C288 PolarHBondContact OD1-N 2.6Å; N286-V289 PolarHBondContact O-N 3.35Å; N286-I290 PolarHBondContact O-N 2.97Å
287	S	78.8	Confident	75.2	Confident	96 Å²	96	101.3 Å²	101.3	67%	0.671	51%	0.51	S	S	*	.	H	α-helix	trans	-52.5	-29.7	178.6	60.4	0	0	0	0	113.7	V285 I290 R291	V285-S287 PolarHBondContact O-N 3.14Å; S287-I290 PolarHBondContact O-N 2.95Å; S287-R291 WeakPolarHBondContact O-CB 3.41Å; S287-R291 PolarHBondContact O-N 3.39Å
288	C	78.2	Confident	75.1	Confident	58 Å²	58	100.6 Å²	100.6	39%	0.392	51%	0.511	S	S	.	.	H	α-helix	trans	-62.3	-43.2	176.1	-167.4	0	0	0	0	112.2	N286 R291 T292	N286-C288 PolarHBondContact O-N 3.05Å; N286-C288 WeakPolarHBondContact OD1-CB 3.33Å; N286-C288 PolarHBondContact OD1-N 2.6Å; C288-R291 PolarHBondContact O-N 2.91Å; C288-T292 PolarHBondContact O-N 3.49Å; C288-T292 PolarHBondContact O-OG1 3.37Å; C288-T292 VanDerWaalsContact O-OG1 3.1Å
289	V	76.3	Confident	75.1	Confident	71 Å²	71	102.1 Å²	102.1	43%	0.43	52%	0.518	S	S	.	.	H	α-helix	trans	-67.2	-42.7	180	177.5	0	0	0	0	110.6	V285 N286 R291 T292 I293	V285-V289 HydrophobicContact CG1-CB 3.7Å; V285-V289 HydrophobicContact CG1-CG1 3.85Å; V285-V289 HydrophobicContact CG1-CG2 4.25Å; N286-V289 PolarHBondContact O-N 3.35Å; V289-R291 VanDerWaalsContact C-N 3.31Å; V289-R291 PolarHBondContact O-N 3.24Å; V289-T292 PolarHBondContact O-N 3.05Å; V289-I293 HydrophobicContact CG1-CD1 4.01Å; V289-I293 WeakPolarHBondContact O-CG1 3.24Å; V289-I293 PolarHBondContact O-N 2.71Å
290	I	73.4	Confident	74.9	Confident	54 Å²	54	99.9 Å²	99.9	28%	0.277	52%	0.515	S	S	.	.	H	α-helix	trans	-59.4	-44.8	176	-63	174.5	0	0	0	110.4	L282 N286 S287 T292 I293 N294	L282-I290 HydrophobicContact CB-CD1 4.37Å; L282-I290 HydrophobicContact CD1-CG1 4.32Å; L282-I290 HydrophobicContact CD2-CD1 4.37Å; L282-I290 HydrophobicContact CD2-CG1 3.84Å; N286-I290 PolarHBondContact O-N 2.97Å; S287-I290 PolarHBondContact O-N 2.95Å; I290-T292 VanDerWaalsContact C-N 3.33Å; I290-T292 PolarHBondContact O-N 3.29Å; I290-I293 PolarHBondContact O-N 3.28Å; I290-N294 WeakPolarHBondContact O-CB 3.38Å; I290-N294 PolarHBondContact O-N 2.95Å
291	R	80	Confident	74.7	Confident	154 Å²	154	95.6 Å²	95.6	58%	0.581	50%	0.501	S	S	*	.	H	α-helix	trans	-62.4	-39	177.4	-175.3	173.5	60.9	-177	-2.5	112.3	S287 C288 V289 K295	S287-R291 WeakPolarHBondContact O-CB 3.41Å; S287-R291 PolarHBondContact O-N 3.39Å; C288-R291 PolarHBondContact O-N 2.91Å; V289-R291 VanDerWaalsContact C-N 3.31Å; V289-R291 PolarHBondContact O-N 3.24Å; R291-K295 WeakPolarHBondContact O-CG 3.38Å; R291-K295 PolarHBondContact O-N 3.03Å
292	T	81.4	Confident	75	Confident	73 Å²	73	94.2 Å²	94.2	45%	0.448	50%	0.503	S	S	.	.	H	α-helix	trans	-65.3	-46	175.6	-58.3	0	0	0	0	111.5	C288 V289 I290 N294 K295 L296	C288-T292 PolarHBondContact O-N 3.49Å; C288-T292 PolarHBondContact O-OG1 3.37Å; C288-T292 VanDerWaalsContact O-OG1 3.1Å; V289-T292 PolarHBondContact O-N 3.05Å; I290-T292 VanDerWaalsContact C-N 3.33Å; I290-T292 PolarHBondContact O-N 3.29Å; T292-N294 VanDerWaalsContact C-N 3.35Å; T292-N294 PolarHBondContact O-N 3.38Å; T292-K295 PolarHBondContact O-N 3.04Å; T292-L296 HydrophobicContact CG2-CD1 4.32Å; T292-L296 WeakPolarHBondContact O-CG 3.22Å; T292-L296 PolarHBondContact O-N 3.06Å
293	I	76.6	Confident	75.6	Confident	70 Å²	70	96.7 Å²	96.7	36%	0.359	52%	0.524	S	S	.	.	H	α-helix	trans	-59.3	-46.9	176.3	-67.5	168	0	0	0	110.5	V289 I290 K295 L296 I297	V289-I293 HydrophobicContact CG1-CD1 4.01Å; V289-I293 WeakPolarHBondContact O-CG1 3.24Å; V289-I293 PolarHBondContact O-N 2.71Å; I290-I293 PolarHBondContact O-N 3.28Å; I293-K295 VanDerWaalsContact C-N 3.34Å; I293-K295 PolarHBondContact O-N 2.86Å; I293-L296 PolarHBondContact O-N 3.19Å; I293-I297 HydrophobicContact CG2-CD1 3.73Å; I293-I297 HydrophobicContact CG2-CG1 4.34Å; I293-I297 WeakPolarHBondContact O-CG1 3.19Å; I293-I297 PolarHBondContact O-N 3.2Å
294	N	79.6	Confident	75.7	Confident	91 Å²	91	90.4 Å²	90.4	49%	0.487	50%	0.501	S	S	.	.	H	α-helix	trans	-61.1	-41.6	178.7	-74.6	-13.8	0	0	0	112.1	I290 T292 L296 I297 S298	I290-N294 WeakPolarHBondContact O-CB 3.38Å; I290-N294 PolarHBondContact O-N 2.95Å; T292-N294 VanDerWaalsContact C-N 3.35Å; T292-N294 PolarHBondContact O-N 3.38Å; N294-L296 VanDerWaalsContact C-N 3.35Å; N294-L296 PolarHBondContact O-N 3.35Å; N294-I297 PolarHBondContact O-N 2.84Å; N294-S298 WeakPolarHBondContact O-CB 3.25Å; N294-S298 PolarHBondContact O-N 3.29Å; N294-S298 PolarHBondContact O-OG 3.25Å; N294-S298 VanDerWaalsContact O-OG 3.12Å
295	K	83.3	Confident	75.2	Confident	144 Å²	144	86.2 Å²	86.2	63%	0.626	48%	0.483	S	S	*	.	H	α-helix	trans	-61.1	-42.6	174.7	-77.3	-177.6	176.7	-169.7	0	112.3	R291 T292 I293 S298 S299	R291-K295 WeakPolarHBondContact O-CG 3.38Å; R291-K295 PolarHBondContact O-N 3.03Å; T292-K295 PolarHBondContact O-N 3.04Å; I293-K295 VanDerWaalsContact C-N 3.34Å; I293-K295 PolarHBondContact O-N 2.86Å; K295-S298 PolarHBondContact O-N 2.92Å; K295-S299 PolarHBondContact O-N 3.33Å
296	L	80.9	Confident	75	Confident	105 Å²	105	88.7 Å²	88.7	55%	0.55	50%	0.502	S	S	.	.	H	α-helix	trans	-64.1	-44.9	177	-69.5	170.7	0	0	0	111.3	T292 I293 N294 S298 S299 C300	T292-L296 HydrophobicContact CG2-CD1 4.32Å; T292-L296 WeakPolarHBondContact O-CG 3.22Å; T292-L296 PolarHBondContact O-N 3.06Å; I293-L296 PolarHBondContact O-N 3.19Å; N294-L296 VanDerWaalsContact C-N 3.35Å; N294-L296 PolarHBondContact O-N 3.35Å; L296-S298 PolarHBondContact O-N 2.94Å; L296-S299 PolarHBondContact O-N 2.72Å; L296-S299 PolarHBondContact O-OG 2.69Å; L296-C300 PolarHBondContact O-N 3.29Å; L296-C300 VanDerWaalsContact O-N 3.1Å; L296-C300 PolarHBondContact O-SG 3.14Å; L296-C300 VanDerWaalsContact O-SG 3.33Å
297	I	75.7	Confident	74	Confident	96 Å²	96	90.8 Å²	90.8	49%	0.492	51%	0.508	S	S	.	.	H	α-helix	trans	-60.6	-46.5	176.4	-66.9	169.9	0	0	0	110.6	I293 N294 S299 C300 V301	I293-I297 HydrophobicContact CG2-CD1 3.73Å; I293-I297 HydrophobicContact CG2-CG1 4.34Å; I293-I297 WeakPolarHBondContact O-CG1 3.19Å; I293-I297 PolarHBondContact O-N 3.2Å; N294-I297 PolarHBondContact O-N 2.84Å; I297-S299 VanDerWaalsContact C-N 3.3Å; I297-S299 PolarHBondContact O-N 2.98Å; I297-C300 WeakPolarHBondContact O-CB 3.35Å; I297-C300 PolarHBondContact O-N 3.41Å; I297-C300 VanDerWaalsContact O-N 3.09Å; I297-V301 WeakPolarHBondContact O-CG2 3.46Å; I297-V301 PolarHBondContact O-N 3.01Å; I297-V301 VanDerWaalsContact O-N 3.14Å
298	S	77.5	Confident	72.6	Confident	69 Å²	69	92.4 Å²	92.4	48%	0.483	50%	0.501	S	S	.	.	H	α-helix	trans	-59.1	-40.1	176.4	-65.4	0	0	0	0	112.3	N294 K295 L296 C300 V301 E302	N294-S298 WeakPolarHBondContact O-CB 3.25Å; N294-S298 PolarHBondContact O-N 3.29Å; N294-S298 PolarHBondContact O-OG 3.25Å; N294-S298 VanDerWaalsContact O-OG 3.12Å; K295-S298 PolarHBondContact O-N 2.92Å; L296-S298 PolarHBondContact O-N 2.94Å; S298-C300 VanDerWaalsContact C-N 3.29Å; S298-C300 PolarHBondContact O-N 3.01Å; S298-V301 WeakPolarHBondContact O-CB 3.12Å; S298-V301 PolarHBondContact O-N 2.75Å; S298-V301 VanDerWaalsContact O-N 3.14Å; S298-E302 PolarHBondContact O-N 2.88Å
299	S	78.7	Confident	71	Confident	58 Å²	58	91.6 Å²	91.6	41%	0.406	50%	0.496	S	S	.	.	H	α-helix	trans	-64	-33.2	175.6	71.6	0	0	0	0	113.1	K295 L296 I297 V301 E302	K295-S299 PolarHBondContact O-N 3.33Å; L296-S299 PolarHBondContact O-N 2.72Å; L296-S299 PolarHBondContact O-OG 2.69Å; I297-S299 VanDerWaalsContact C-N 3.3Å; I297-S299 PolarHBondContact O-N 2.98Å; S299-V301 VanDerWaalsContact C-N 3.34Å; S299-E302 PolarHBondContact O-N 3.4Å
300	C	73.1	Confident	69.5	Low	72 Å²	72	96.5 Å²	96.5	49%	0.486	51%	0.506	S	S	.	.	H	α-helix	trans	-68.8	-34.3	174.5	-63.3	0	0	0	0	111.9	L296 I297 S298 E302 S303 T304	L296-C300 PolarHBondContact O-N 3.29Å; L296-C300 VanDerWaalsContact O-N 3.1Å; L296-C300 PolarHBondContact O-SG 3.14Å; L296-C300 VanDerWaalsContact O-SG 3.33Å; I297-C300 WeakPolarHBondContact O-CB 3.35Å; I297-C300 PolarHBondContact O-N 3.41Å; I297-C300 VanDerWaalsContact O-N 3.09Å; S298-C300 VanDerWaalsContact C-N 3.29Å; S298-C300 PolarHBondContact O-N 3.01Å; C300-E302 VanDerWaalsContact C-N 3.31Å; C300-E302 PolarHBondContact O-N 3.35Å; C300-S303 PolarHBondContact O-N 2.96Å; C300-S303 PolarHBondContact O-OG 2.87Å; C300-T304 PolarHBondContact O-N 3.47Å; C300-T304 PolarHBondContact O-OG1 3.49Å
301	V	73.8	Confident	67.5	Low	56 Å²	56	98.4 Å²	98.4	34%	0.339	52%	0.521	S	S	.	.	H	α-helix	trans	-63.2	-38.2	177.7	176.2	0	0	0	0	111	I297 S298 S299 S303 T304	I297-V301 WeakPolarHBondContact O-CG2 3.46Å; I297-V301 PolarHBondContact O-N 3.01Å; I297-V301 VanDerWaalsContact O-N 3.14Å; S298-V301 WeakPolarHBondContact O-CB 3.12Å; S298-V301 PolarHBondContact O-N 2.75Å; S298-V301 VanDerWaalsContact O-N 3.14Å; S299-V301 VanDerWaalsContact C-N 3.34Å; V301-S303 PolarHBondContact O-N 3.11Å; V301-T304 PolarHBondContact O-N 2.97Å
302	E	74.8	Confident	65.4	Low	171 Å²	171	101.1 Å²	101.1	80%	0.799	56%	0.555	S	S	*	*	H	α-helix	trans	-61	-31.7	176.5	-66.5	174.2	-171.7	0	0	112.8	S298 S299 C300	S298-E302 PolarHBondContact O-N 2.88Å; S299-E302 PolarHBondContact O-N 3.4Å; C300-E302 VanDerWaalsContact C-N 3.31Å; C300-E302 PolarHBondContact O-N 3.35Å
303	S	74.2	Confident	64.5	Low	95 Å²	95	102.5 Å²	102.5	66%	0.664	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-2.8	176.1	59	0	0	0	0	114.6	C300 V301	C300-S303 PolarHBondContact O-N 2.96Å; C300-S303 PolarHBondContact O-OG 2.87Å; V301-S303 PolarHBondContact O-N 3.11Å
304	T	65.7	Low	63.9	Low	51 Å²	51	104.2 Å²	104.2	31%	0.313	57%	0.571	S	S	.	*	S	Bend	trans	-95.7	127.1	-177.6	-56.3	0	0	0	0	109.5	C300 V301 S306	C300-T304 PolarHBondContact O-N 3.47Å; C300-T304 PolarHBondContact O-OG1 3.49Å; V301-T304 PolarHBondContact O-N 2.97Å; T304-S306 PolarHBondContact O-N 2.7Å
305	P	57.8	Low	63	Low	68 Å²	68	104.9 Å²	104.9	44%	0.442	58%	0.575	S	S	.	*			trans	-54.9	140.6	173.6	-21.9	31.1	0	0	0	110.6	E307 Y308 S309	P305-E307 HydrophobicContact CB-CG 4.01Å; P305-E307 PolarHBondContact O-N 3.2Å; P305-E307 VanDerWaalsContact O-N 3.08Å; P305-Y308 HydrophobicContact CB-CD2 3.92Å; P305-Y308 HydrophobicContact CB-CE2 4.45Å; P305-Y308 HydrophobicContact CG-CD2 4.03Å; P305-Y308 HydrophobicContact CG-CE2 4.48Å; P305-Y308 WeakPolarHBondContact O-CA 3.29Å; P305-Y308 PolarHBondContact O-N 2.88Å; P305-S309 PolarHBondContact O-N 3.3Å
306	S	61.7	Low	61.9	Low	105 Å²	105	102.6 Å²	102.6	73%	0.734	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-56.1	-32.1	-172	53.6	0	0	0	0	113.2	T304 Y308 S309	T304-S306 PolarHBondContact O-N 2.7Å; S306-Y308 PolarHBondContact O-N 3.15Å; S306-S309 PolarHBondContact O-N 3.4Å; S306-S309 VanDerWaalsContact O-N 3.16Å; S306-S309 PolarHBondContact O-OG 2.95Å
307	E	51.6	Low	60.7	Low	149 Å²	149	102.5 Å²	102.5	70%	0.696	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-62.6	-19.6	174.1	63.6	-160.6	-175.4	0	0	114.8	P305	P305-E307 HydrophobicContact CB-CG 4.01Å; P305-E307 PolarHBondContact O-N 3.2Å; P305-E307 VanDerWaalsContact O-N 3.08Å
308	Y	49.9	Very low	59.7	Low	131 Å²	131	102.9 Å²	102.9	51%	0.514	58%	0.579	S	S	.	*	G	3₁₀ helix	trans	-112	0.6	175.1	-56.8	-68.1	0	0	0	113.3	P305 S306 W310	P305-Y308 HydrophobicContact CB-CD2 3.92Å; P305-Y308 HydrophobicContact CB-CE2 4.45Å; P305-Y308 HydrophobicContact CG-CD2 4.03Å; P305-Y308 HydrophobicContact CG-CE2 4.48Å; P305-Y308 WeakPolarHBondContact O-CA 3.29Å; P305-Y308 PolarHBondContact O-N 2.88Å; S306-Y308 PolarHBondContact O-N 3.15Å; Y308-W310 PolarHBondContact O-N 3.18Å
309	S	45.1	Very low	58.4	Low	40 Å²	40	105.4 Å²	105.4	28%	0.28	59%	0.586	S	S	.	*			trans	-68.3	115.9	177.7	71	0	0	0	0	109.4	P305 S306 T311	P305-S309 PolarHBondContact O-N 3.3Å; S306-S309 PolarHBondContact O-N 3.4Å; S306-S309 VanDerWaalsContact O-N 3.16Å; S306-S309 PolarHBondContact O-OG 2.95Å; S309-T311 PolarHBondContact O-N 2.82Å
310	W	43.9	Very low	56.8	Low	174 Å²	174	109 Å²	109	66%	0.659	60%	0.6	S	S	*	*			trans	-70.3	1.6	-178.7	-69.3	92.1	0	0	0	113.8	L264 K268 Y308 T312	L264-W310 HydrophobicContact CD2-CH2 3.61Å; L264-W310 HydrophobicContact CD2-CZ2 4.06Å; K268-W310 HydrophobicContact CB-CH2 4.28Å; K268-W310 HydrophobicContact CD-CH2 3.71Å; K268-W310 HydrophobicContact CD-CZ3 3.84Å; K268-W310 HydrophobicContact CG-CH2 3.89Å; K268-W310 HydrophobicContact CG-CZ3 4.19Å; Y308-W310 PolarHBondContact O-N 3.18Å; W310-T312 PolarHBondContact O-N 2.88Å
311	T	32.2	Very low	55.5	Low	94 Å²	94	112.1 Å²	112.1	58%	0.577	61%	0.609	S	S	*	*			trans	-94.3	94.2	-178.8	47.6	0	0	0	0	110.3	S309	S309-T311 PolarHBondContact O-N 2.82Å
312	T	34.9	Very low	53.8	Low	211 Å²	211	117.2 Å²	117.2	100%	1.294	63%	0.634	S	S	*	*			trans	-100.2	0	145	52.2	0	0	0	0	109.1	W310	W310-T312 PolarHBondContact O-N 2.88Å

Retrieved 312 of 312 residues in 376.8 ms (Link to these results)

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