A0A5K4F6R7_SCHMA Loading...

FERM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6R7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 203 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	36.9	Very low	36.9	Very low	252 Å²	252	145.1 Å²	145.1	100%	1.241	80%	0.803	S	S	*	*				0	143	0	-79.7	167.3	165.7	0	0	108.5
2	S	34.4	Very low	38.6	Very low	102 Å²	102	149.9 Å²	149.9	71%	0.713	80%	0.803	S	S	*	*			trans	-61.3	133.9	-150.4	42.4	0	0	0	0	117	F4	S2-F4 PolarHBondContact O-N 3.2Å
3	K	31.8	Very low	41.4	Very low	205 Å²	205	143.2 Å²	143.2	89%	0.891	77%	0.765	S	S	*	*			trans	-59.4	122	163.4	-72.5	173.1	173.1	175.4	0	110.2
4	F	35.5	Very low	44.6	Very low	180 Å²	180	138.6 Å²	138.6	79%	0.789	74%	0.741	S	S	*	*			trans	-104.8	102.4	153.1	-85.8	-87	0	0	0	107.7	S2 C6	S2-F4 PolarHBondContact O-N 3.2Å; F4-C6 PolarHBondContact O-N 3.04Å
5	C	30.7	Very low	47.7	Very low	125 Å²	125	131.3 Å²	131.3	85%	0.845	70%	0.702	S	S	*	*			trans	-86.8	88	170.4	-162.2	0	0	0	0	107.6
6	C	32.8	Very low	50.5	Low	107 Å²	107	123.1 Å²	123.1	72%	0.723	66%	0.658	S	S	*	*			trans	-102.8	75.5	174	-71.2	0	0	0	0	109.4	F4	F4-C6 PolarHBondContact O-N 3.04Å
7	C	33.7	Very low	53.1	Low	103 Å²	103	117.2 Å²	117.2	70%	0.696	63%	0.625	S	S	*	*			trans	-157.9	63.5	169.7	-93.7	0	0	0	0	109.6	K9	C7-K9 PolarHBondContact O-N 3.35Å
8	A	34.9	Very low	55.5	Low	103 Å²	103	110.7 Å²	110.7	85%	0.851	59%	0.59	S	S	*	*			trans	-67.7	89.9	155.3	0	0	0	0	0	106.6	H10	A8-H10 PolarHBondContact O-N 2.91Å
9	K	35.4	Very low	57.6	Low	169 Å²	169	105.7 Å²	105.7	74%	0.735	56%	0.564	S	S	*	*			trans	-59.8	109.6	172.8	-70.3	179	177.4	178.9	0	107	C7	C7-K9 PolarHBondContact O-N 3.35Å
10	H	46.2	Very low	59.6	Low	147 Å²	147	100.7 Å²	100.7	68%	0.681	54%	0.538	S	S	*	.			trans	-48.1	135.6	165.1	-105.8	-86.2	0	0	0	108.1	A8 Y12	A8-H10 PolarHBondContact O-N 2.91Å; H10-Y12 PolarHBondContact O-N 3.46Å; H10-Y12 VanDerWaalsContact O-N 3.16Å
11	P	53.5	Low	61.2	Low	103 Å²	103	96 Å²	96	67%	0.669	51%	0.512	S	S	*	.			trans	-54.2	126.8	174.5	23	-31.3	0	0	0	107.7	I13	P11-I13 PolarHBondContact O-N 2.94Å
12	Y	58	Low	63.8	Low	203 Å²	203	88 Å²	88	80%	0.796	48%	0.475	S	S	*	.			trans	-55.4	100	-179.6	-84.9	-89.4	0	0	0	108.9	H10 N14	H10-Y12 PolarHBondContact O-N 3.46Å; H10-Y12 VanDerWaalsContact O-N 3.16Å; Y12-N14 PolarHBondContact O-N 3.39Å
13	I	74.9	Confident	66.6	Low	62 Å²	62	88.4 Å²	88.4	32%	0.318	47%	0.469	S	S	.	.			trans	-69.3	106.1	172.1	-61.9	178	0	0	0	105.5	P11 N15 F30 P113	P11-I13 PolarHBondContact O-N 2.94Å; I13-N15 WeakPolarHBondContact CG2-O 3.42Å; I13-F30 HydrophobicContact CG2-CZ 4.5Å; I13-F30 WeakPolarHBondContact O-CZ 3.29Å; I13-P113 HydrophobicContact CG2-CG 3.74Å
14	N	86	Confident	69.6	Low	79 Å²	79	84.7 Å²	84.7	42%	0.422	45%	0.453	S	S	.	.			trans	-112.9	9.3	178.3	65.4	-10.8	0	0	0	112.3	Y12 K29 F30	Y12-N14 PolarHBondContact O-N 3.39Å; N14-K29 CarbonylContact O-C 3.56Å; N14-K29 VanDerWaalsContact O-CA 3.24Å; N14-K29 WeakPolarHBondContact O-CA 3.43Å; N14-F30 PolarHBondContact O-N 3.34Å
15	N	90.9	Very high	72.4	Confident	30 Å²	30	80.5 Å²	80.5	16%	0.16	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.2	178.1	-65.9	-57.3	0	0	0	109.7	I13 Y28 K29 Y112 P113	I13-N15 WeakPolarHBondContact CG2-O 3.42Å; N15-Y28 CarbonylContact C-O 3.56Å; N15-Y28 VanDerWaalsContact CA-O 3.29Å; N15-Y28 WeakPolarHBondContact CA-O 3.34Å; N15-K29 WeakPolarHBondContact OD1-CG 3.49Å; N15-Y112 HydrophobicContact CB-CD1 3.84Å; N15-Y112 HydrophobicContact CB-CE1 4Å; N15-P113 WeakPolarHBondContact O-CD 3.32Å
16	V	92.9	Very high	75.5	Confident	0 Å²	0	76 Å²	76	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	139.5	166.7	59	0	0	0	0	109.4	Y27 Y28 F30 I39 M75 P113 V115	V16-Y27 WeakPolarHBondContact O-CA 3.47Å; V16-Y28 PolarHBondContact N-O 3.15Å; V16-Y28 PolarHBondContact O-N 2.88Å; V16-F30 HydrophobicContact CB-CD1 4.22Å; V16-F30 HydrophobicContact CB-CE1 4.33Å; V16-F30 HydrophobicContact CG1-CD1 4.26Å; V16-I39 HydrophobicContact CG1-CD1 3.88Å; V16-I39 HydrophobicContact CG1-CG2 4.46Å; V16-M75 HydrophobicContact CB-CE 3.89Å; V16-M75 HydrophobicContact CG1-CE 4.32Å; V16-M75 HydrophobicContact CG2-CE 3.5Å; V16-M75 VanDerWaalsContact CG2-CE 3.5Å; V16-P113 WeakPolarHBondContact CG2-O 3.48Å; V16-V115 HydrophobicContact CG2-CB 4.48Å; V16-V115 HydrophobicContact CG2-CG1 4.08Å; V16-V115 HydrophobicContact CG2-CG2 3.75Å
17	K	94.6	Very high	78.5	Confident	22 Å²	22	76 Å²	76	10%	0.096	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	121.3	170.5	-174.8	172.6	75	157.2	0	109.2	E25 Y27 S110 P113 T114 V115	K17-E25 HydrophobicContact CD-CB 4.41Å; K17-E25 HydrophobicContact CD-CG 4.43Å; K17-E25 HydrophobicContact CG-CB 4.44Å; K17-E25 IonicContact NZ-OE1 2.82Å; K17-E25 PolarHBondContact NZ-OE1 3.1Å; K17-E25 IonicContact NZ-OE2 3.88Å; K17-Y27 HydrophobicContact CB-CD1 4.1Å; K17-Y27 HydrophobicContact CB-CE1 3.82Å; K17-Y27 HydrophobicContact CD-CE1 3.84Å; K17-Y27 VanDerWaalsContact CD-OH 3.31Å; K17-Y27 WeakPolarHBondContact CD-OH 3.48Å; K17-Y27 HydrophobicContact CG-CD1 4.33Å; K17-Y27 HydrophobicContact CG-CE1 3.79Å; K17-S110 PolarHBondContact NZ-OG 3.39Å; K17-P113 PolarHBondContact N-O 2.7Å; K17-T114 VanDerWaalsContact CE-CG2 3.49Å; K17-T114 WeakPolarHBondContact CE-OG1 3.29Å; K17-T114 HydrophobicContact CG-CG2 4.49Å; K17-T114 CarbonylContact O-C 3.57Å; K17-T114 WeakPolarHBondContact O-CA 3.49Å; K17-V115 PolarHBondContact O-N 3.22Å
18	V	96.4	Very high	81.4	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.6	172.5	-176.2	0	0	0	0	108.7	L20 V26 Y28 I39 V43 L57 V115 F117	V18-L20 HydrophobicContact CG1-CD2 4.06Å; V18-V26 PolarHBondContact N-O 2.81Å; V18-V26 PolarHBondContact O-N 2.79Å; V18-Y28 HydrophobicContact CB-CD2 4.15Å; V18-Y28 HydrophobicContact CB-CE2 4.08Å; V18-Y28 HydrophobicContact CG2-CD2 3.52Å; V18-Y28 HydrophobicContact CG2-CE2 3.85Å; V18-I39 HydrophobicContact CG2-CG2 3.96Å; V18-V43 HydrophobicContact CB-CG2 4.44Å; V18-V43 HydrophobicContact CG1-CG2 3.94Å; V18-V43 HydrophobicContact CG2-CG2 4.33Å; V18-L57 HydrophobicContact CG1-CD2 4.03Å; V18-V115 CarbonylContact C-O 3.55Å; V18-V115 WeakPolarHBondContact CA-O 3.47Å; V18-V115 HydrophobicContact CB-CG2 4.32Å; V18-V115 HydrophobicContact CG1-CG2 4.46Å; V18-V115 HydrophobicContact CG2-CG2 3.7Å; V18-F117 HydrophobicContact CG1-CB 4.35Å
19	V	95.9	Very high	84.2	Confident	16 Å²	16	75.4 Å²	75.4	10%	0.097	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.1	175	-177.8	0	0	0	0	109.3	E25 T114 V115 Y116 F117	V19-E25 HydrophobicContact CG2-CG 4.43Å; V19-T114 HydrophobicContact CG2-CG2 3.73Å; V19-V115 PolarHBondContact N-O 3.18Å; V19-Y116 HydrophobicContact CB-CD1 3.62Å; V19-Y116 HydrophobicContact CB-CE1 3.84Å; V19-Y116 HydrophobicContact CB-CG 4.34Å; V19-Y116 HydrophobicContact CG1-CD1 3.98Å; V19-Y116 HydrophobicContact CG1-CE1 4.06Å; V19-Y116 HydrophobicContact CG2-CD1 4.2Å; V19-Y116 HydrophobicContact CG2-CE1 3.96Å; V19-Y116 WeakPolarHBondContact O-CA 3.49Å; V19-F117 PolarHBondContact O-N 2.87Å
20	L	96.3	Very high	86.9	Confident	5 Å²	5	68.1 Å²	68.1	3%	0.026	32%	0.324	C	S	.	.			trans	-85.4	169.4	-178.9	-57.1	-174.2	0	0	0	112.7	V18 N22 N23 K24 V26 V43 M47 F117 K143	V18-L20 HydrophobicContact CG1-CD2 4.06Å; L20-N22 VanDerWaalsContact CB-OD1 3.32Å; L20-N22 WeakPolarHBondContact CB-OD1 3.4Å; L20-N22 PolarHBondContact O-N 3.34Å; L20-N23 PolarHBondContact O-N 3Å; L20-K24 HydrophobicContact CB-CB 4.43Å; L20-K24 WeakPolarHBondContact CB-O 3.44Å; L20-K24 HydrophobicContact CD1-CB 4.22Å; L20-K24 HydrophobicContact CD1-CD 4.32Å; L20-K24 PolarHBondContact N-O 2.96Å; L20-V26 HydrophobicContact CD1-CG2 4.01Å; L20-V26 HydrophobicContact CG-CG2 4.34Å; L20-V43 HydrophobicContact CD2-CG1 3.62Å; L20-M47 HydrophobicContact CD1-CG 4.43Å; L20-M47 HydrophobicContact CD1-SD 3.96Å; L20-M47 HydrophobicContact CD2-SD 3.99Å; L20-M47 HydrophobicContact CG-SD 4.49Å; L20-F117 HydrophobicContact CD2-CB 3.89Å; L20-F117 HydrophobicContact CD2-CG 4.36Å; L20-K143 PolarHBondContact O-NZ 3.27Å
21	L	94.3	Very high	89.1	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.01	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.6	-179.8	-74	169.2	0	0	0	114.2	N23 F117 V119 I136 L139 Q140 K143	L21-N23 VanDerWaalsContact C-N 3.33Å; L21-F117 HydrophobicContact CD1-CD1 4.05Å; L21-F117 HydrophobicContact CD1-CE1 4.22Å; L21-F117 HydrophobicContact CG-CD1 4.26Å; L21-F117 WeakPolarHBondContact CG-O 3.02Å; L21-V119 HydrophobicContact CD1-CG2 4.48Å; L21-I136 HydrophobicContact CB-CG2 4.36Å; L21-I136 HydrophobicContact CD1-CG2 3.48Å; L21-I136 VanDerWaalsContact CD1-CG2 3.48Å; L21-I136 WeakPolarHBondContact CD1-O 3.28Å; L21-I136 HydrophobicContact CG-CG2 4.48Å; L21-L139 HydrophobicContact CB-CB 4.06Å; L21-L139 HydrophobicContact CB-CD1 4.42Å; L21-Q140 HydrophobicContact CD1-CB 3.99Å; L21-Q140 HydrophobicContact CD2-CB 3.85Å; L21-Q140 HydrophobicContact CD2-CG 4.4Å; L21-K143 VanDerWaalsContact C-NZ 3.33Å; L21-K143 HydrophobicContact CD2-CD 4.35Å; L21-K143 WeakPolarHBondContact O-CE 3.35Å; L21-K143 PolarHBondContact O-NZ 2.98Å
22	N	91.1	Very high	90.9	Very high	84 Å²	84	65.4 Å²	65.4	45%	0.449	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	13.6	169.7	63.7	1.1	0	0	0	113.6	L20 K24 L139	L20-N22 VanDerWaalsContact CB-OD1 3.32Å; L20-N22 WeakPolarHBondContact CB-OD1 3.4Å; L20-N22 PolarHBondContact O-N 3.34Å; N22-K24 PolarHBondContact O-N 3.37Å; N22-K24 WeakPolarHBondContact OD1-CB 3.42Å; N22-K24 PolarHBondContact OD1-N 3.49Å; N22-L139 HydrophobicContact CB-CD1 4.11Å
23	N	92.2	Very high	92.5	Very high	111 Å²	111	61.7 Å²	61.7	59%	0.594	31%	0.306	S	S	*	.	S	Bend	trans	66.4	6.6	-175.2	-55.4	-41.1	0	0	0	115.3	L20 L21 E25 K143	L20-N23 PolarHBondContact O-N 3Å; L21-N23 VanDerWaalsContact C-N 3.33Å; N23-E25 PolarHBondContact O-N 3.27Å; N23-K143 WeakPolarHBondContact OD1-CE 3.43Å; N23-K143 PolarHBondContact OD1-NZ 2.89Å
24	K	94.7	Very high	93.5	Very high	128 Å²	128	59.8 Å²	59.8	56%	0.557	30%	0.298	S	S	*	.			trans	-67.1	131.9	170.8	-175.2	179.9	179.1	-176	0	109.5	L20 N22 V26	L20-K24 HydrophobicContact CB-CB 4.43Å; L20-K24 WeakPolarHBondContact CB-O 3.44Å; L20-K24 HydrophobicContact CD1-CB 4.22Å; L20-K24 HydrophobicContact CD1-CD 4.32Å; L20-K24 PolarHBondContact N-O 2.96Å; N22-K24 PolarHBondContact O-N 3.37Å; N22-K24 WeakPolarHBondContact OD1-CB 3.42Å; N22-K24 PolarHBondContact OD1-N 3.49Å; K24-V26 HydrophobicContact CD-CG2 4.29Å; K24-V26 HydrophobicContact CG-CG2 4.18Å
25	E	95.3	Very high	94	Very high	91 Å²	91	58.2 Å²	58.2	43%	0.425	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.7	172.3	-54.5	-167.8	142.7	0	0	109.7	K17 V19 N23 Y27	K17-E25 HydrophobicContact CD-CB 4.41Å; K17-E25 HydrophobicContact CD-CG 4.43Å; K17-E25 HydrophobicContact CG-CB 4.44Å; K17-E25 IonicContact NZ-OE1 2.82Å; K17-E25 PolarHBondContact NZ-OE1 3.1Å; K17-E25 IonicContact NZ-OE2 3.88Å; V19-E25 HydrophobicContact CG2-CG 4.43Å; N23-E25 PolarHBondContact O-N 3.27Å; E25-Y27 HydrophobicContact CB-CE2 4.28Å; E25-Y27 PolarHBondContact OE2-OH 3.43Å
26	V	95.5	Very high	94.3	Very high	30 Å²	30	57 Å²	57	18%	0.182	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.6	177.3	-171.2	0	0	0	0	108.7	V18 L20 K24 Y28	V18-V26 PolarHBondContact N-O 2.81Å; V18-V26 PolarHBondContact O-N 2.79Å; L20-V26 HydrophobicContact CD1-CG2 4.01Å; L20-V26 HydrophobicContact CG-CG2 4.34Å; K24-V26 HydrophobicContact CD-CG2 4.29Å; K24-V26 HydrophobicContact CG-CG2 4.18Å; V26-Y28 HydrophobicContact CB-CE2 3.76Å; V26-Y28 HydrophobicContact CG1-CD2 4.13Å; V26-Y28 HydrophobicContact CG1-CE1 4.46Å; V26-Y28 HydrophobicContact CG1-CE2 3.39Å
27	Y	95	Very high	94.5	Very high	107 Å²	107	62.1 Å²	62.1	42%	0.42	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.3	-176.2	-64.4	-96.7	0	0	0	109.6	V16 K17 E25 Y112	V16-Y27 WeakPolarHBondContact O-CA 3.47Å; K17-Y27 HydrophobicContact CB-CD1 4.1Å; K17-Y27 HydrophobicContact CB-CE1 3.82Å; K17-Y27 HydrophobicContact CD-CE1 3.84Å; K17-Y27 VanDerWaalsContact CD-OH 3.31Å; K17-Y27 WeakPolarHBondContact CD-OH 3.48Å; K17-Y27 HydrophobicContact CG-CD1 4.33Å; K17-Y27 HydrophobicContact CG-CE1 3.79Å; E25-Y27 HydrophobicContact CB-CE2 4.28Å; E25-Y27 PolarHBondContact OE2-OH 3.43Å; Y27-Y112 HydrophobicContact CD1-CD2 4.25Å; Y27-Y112 HydrophobicContact CD1-CG 4.3Å; Y27-Y112 AromaticContact CE1-CD2 3.62Å; Y27-Y112 HydrophobicContact CE1-CD2 3.62Å; Y27-Y112 HydrophobicContact CE1-CE2 4.06Å; Y27-Y112 HydrophobicContact CE1-CG 4.03Å
28	Y	95.4	Very high	94.6	Very high	28 Å²	28	64.6 Å²	64.6	11%	0.11	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.2	179.2	-66.8	-90.6	0	0	0	110.3	N15 V16 V18 V26 I39 D42 V43	N15-Y28 CarbonylContact C-O 3.56Å; N15-Y28 VanDerWaalsContact CA-O 3.29Å; N15-Y28 WeakPolarHBondContact CA-O 3.34Å; V16-Y28 PolarHBondContact N-O 3.15Å; V16-Y28 PolarHBondContact O-N 2.88Å; V18-Y28 HydrophobicContact CB-CD2 4.15Å; V18-Y28 HydrophobicContact CB-CE2 4.08Å; V18-Y28 HydrophobicContact CG2-CD2 3.52Å; V18-Y28 HydrophobicContact CG2-CE2 3.85Å; V26-Y28 HydrophobicContact CB-CE2 3.76Å; V26-Y28 HydrophobicContact CG1-CD2 4.13Å; V26-Y28 HydrophobicContact CG1-CE1 4.46Å; V26-Y28 HydrophobicContact CG1-CE2 3.39Å; Y28-I39 HydrophobicContact CD2-CG2 4.09Å; Y28-I39 HydrophobicContact CG-CG2 4.03Å; Y28-D42 HydrophobicContact CD1-CB 4.14Å; Y28-D42 HydrophobicContact CE1-CB 3.58Å; Y28-V43 HydrophobicContact CD2-CG2 4.37Å; Y28-V43 HydrophobicContact CE2-CG2 3.48Å; Y28-V43 VanDerWaalsContact CE2-CG2 3.48Å; Y28-V43 WeakPolarHBondContact OH-CA 3.35Å; Y28-V43 WeakPolarHBondContact OH-CG2 3.45Å
29	K	93.7	Very high	94.7	Very high	166 Å²	166	64.7 Å²	64.7	72%	0.722	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	140	171.7	-75.6	175.3	-176.6	-179.3	0	109.3	N14 N15	N14-K29 CarbonylContact O-C 3.56Å; N14-K29 VanDerWaalsContact O-CA 3.24Å; N14-K29 WeakPolarHBondContact O-CA 3.43Å; N15-K29 WeakPolarHBondContact OD1-CG 3.49Å
30	F	92.9	Very high	94.8	Very high	16 Å²	16	65.4 Å²	65.4	7%	0.07	32%	0.323	C	S	.	.			trans	-132	149.8	173.8	68.9	-92.2	0	0	0	110.9	I13 N14 V16 T34 I39 M75 H76 I79	I13-F30 HydrophobicContact CG2-CZ 4.5Å; I13-F30 WeakPolarHBondContact O-CZ 3.29Å; N14-F30 PolarHBondContact O-N 3.34Å; V16-F30 HydrophobicContact CB-CD1 4.22Å; V16-F30 HydrophobicContact CB-CE1 4.33Å; V16-F30 HydrophobicContact CG1-CD1 4.26Å; F30-T34 HydrophobicContact CB-CG2 3.87Å; F30-I39 HydrophobicContact CB-CD1 4.36Å; F30-M75 HydrophobicContact CB-CB 4.09Å; F30-M75 HydrophobicContact CB-CG 4.08Å; F30-M75 HydrophobicContact CD1-CG 3.99Å; F30-M75 HydrophobicContact CD2-CB 4.06Å; F30-M75 HydrophobicContact CD2-CG 4.07Å; F30-M75 HydrophobicContact CE1-CG 4.44Å; F30-M75 HydrophobicContact CG-CB 4.07Å; F30-M75 HydrophobicContact CG-CG 3.79Å; F30-H76 HydrophobicContact CD2-CB 4.49Å; F30-H76 HydrophobicContact CE2-CB 4.15Å; F30-I79 HydrophobicContact CE1-CG1 4.19Å; F30-I79 HydrophobicContact CE2-CG1 4.32Å; F30-I79 HydrophobicContact CZ-CG1 3.71Å
31	T	92.5	Very high	94.8	Very high	85 Å²	85	69.3 Å²	69.3	52%	0.521	34%	0.341	S	S	.	.			trans	-109.8	-178.2	169.9	67.5	0	0	0	0	109.4	D33 T34	T31-D33 PolarHBondContact O-N 3.33Å; T31-D33 PolarHBondContact OG1-N 3.46Å; T31-T34 PolarHBondContact N-OG1 2.87Å; T31-T34 PolarHBondContact O-N 3.48Å; T31-T34 PolarHBondContact OG1-OG1 3.49Å
32	N	89.7	Confident	94.9	Very high	108 Å²	108	73.2 Å²	73.2	58%	0.578	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.8	175.8	-67.4	-14.3	0	0	0	112.5	F74 H76	N32-F74 VanDerWaalsContact O-CD1 3.28Å; N32-F74 WeakPolarHBondContact O-CD1 3.44Å; N32-H76 PolarHBondContact O-CE1 3.22Å; N32-H76 PolarHBondContact O-ND1 2.99Å
33	D	92.9	Very high	95.1	Very high	126 Å²	126	69.2 Å²	69.2	67%	0.674	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-8	-177.5	-51.5	-46	0	0	0	112.8	T31 L35	T31-D33 PolarHBondContact O-N 3.33Å; T31-D33 PolarHBondContact OG1-N 3.46Å; D33-L35 PolarHBondContact O-N 3.04Å
34	T	95.8	Very high	95.3	Very high	22 Å²	22	64 Å²	64	14%	0.135	31%	0.312	C	S	.	.			trans	-69.7	121.8	178.9	-56.5	0	0	0	0	110.5	F30 T31 D38 I39 M75	F30-T34 HydrophobicContact CB-CG2 3.87Å; T31-T34 PolarHBondContact N-OG1 2.87Å; T31-T34 PolarHBondContact O-N 3.48Å; T31-T34 PolarHBondContact OG1-OG1 3.49Å; T34-D38 HydrophobicContact CG2-CB 4.16Å; T34-I39 HydrophobicContact CG2-CD1 3.94Å; T34-I39 HydrophobicContact CG2-CG1 3.88Å; T34-M75 PolarHBondContact O-N 3.05Å
35	L	97.1	Very high	95.3	Very high	46 Å²	46	60 Å²	60	24%	0.241	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-81.9	157.9	172.6	-64.7	173.2	0	0	0	110.8	D33 E37 D38 S72 E73 F74	D33-L35 PolarHBondContact O-N 3.04Å; L35-E37 HydrophobicContact CB-CB 4.43Å; L35-E37 PolarHBondContact O-N 3.01Å; L35-D38 PolarHBondContact N-OD2 3.48Å; L35-D38 PolarHBondContact O-N 3.15Å; L35-S72 WeakPolarHBondContact CD2-O 3.32Å; L35-E73 WeakPolarHBondContact CA-O 3.24Å; L35-F74 HydrophobicContact CD2-CD1 3.72Å; L35-F74 HydrophobicContact CD2-CE1 3.73Å; L35-F74 HydrophobicContact CD2-CG 4.21Å; L35-F74 HydrophobicContact CD2-CZ 4.23Å; L35-F74 HydrophobicContact CG-CE1 4.44Å
36	V	96.8	Very high	95.2	Very high	3 Å²	3	59 Å²	59	2%	0.018	30%	0.304	C	S	.	.	H	α-helix	trans	-61.3	-36	170.8	172.4	0	0	0	0	110.3	D38 I39 F40 L57 I69 E73 M75 I78	V36-D38 VanDerWaalsContact C-N 3.34Å; V36-D38 PolarHBondContact O-N 3.22Å; V36-I39 PolarHBondContact O-N 2.78Å; V36-F40 WeakPolarHBondContact O-CB 3.35Å; V36-F40 PolarHBondContact O-N 3.26Å; V36-L57 HydrophobicContact CG1-CB 4.35Å; V36-L57 HydrophobicContact CG1-CD1 3.99Å; V36-I69 HydrophobicContact CB-CG2 4.24Å; V36-I69 HydrophobicContact CG1-CB 4.12Å; V36-I69 HydrophobicContact CG1-CG2 3.82Å; V36-I69 HydrophobicContact CG2-CG2 3.56Å; V36-E73 WeakPolarHBondContact CG2-O 3.29Å; V36-E73 PolarHBondContact N-O 3.35Å; V36-M75 HydrophobicContact CG2-SD 4.24Å; V36-I78 HydrophobicContact CG2-CG1 4.04Å
37	E	97	Very high	95	Very high	108 Å²	108	59.2 Å²	59.2	51%	0.505	30%	0.303	S	S	.	.	H	α-helix	trans	-59	-39.1	174.4	-171.7	171.1	-170.6	0	0	113.2	L35 I39 F40 H41 P71	L35-E37 HydrophobicContact CB-CB 4.43Å; L35-E37 PolarHBondContact O-N 3.01Å; E37-I39 PolarHBondContact O-N 3.44Å; E37-F40 PolarHBondContact O-N 2.94Å; E37-H41 VanDerWaalsContact O-CB 3.31Å; E37-H41 WeakPolarHBondContact O-CB 3.39Å; E37-H41 PolarHBondContact O-N 3.3Å; E37-P71 HydrophobicContact CB-CB 3.94Å; E37-P71 WeakPolarHBondContact CB-O 3.37Å; E37-P71 HydrophobicContact CG-CB 4.47Å; E37-P71 PolarHBondContact N-O 3.32Å
38	D	97.2	Very high	94.9	Very high	75 Å²	75	59.9 Å²	59.9	40%	0.401	31%	0.314	S	S	.	.	H	α-helix	trans	-61.4	-47.5	179.2	-61.1	-38.4	0	0	0	110.8	T34 L35 V36 F40 H41 D42	T34-D38 HydrophobicContact CG2-CB 4.16Å; L35-D38 PolarHBondContact N-OD2 3.48Å; L35-D38 PolarHBondContact O-N 3.15Å; V36-D38 VanDerWaalsContact C-N 3.34Å; V36-D38 PolarHBondContact O-N 3.22Å; D38-F40 VanDerWaalsContact C-N 3.35Å; D38-F40 PolarHBondContact O-N 3.2Å; D38-H41 WeakPolarHBondContact O-CB 3.31Å; D38-H41 PolarHBondContact O-N 2.89Å; D38-D42 PolarHBondContact O-N 3.45Å
39	I	97.1	Very high	94.8	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-65.5	-42.3	178.5	-62.9	164.1	0	0	0	110	V16 V18 Y28 F30 T34 V36 E37 H41 D42 V43 L57 M75	V16-I39 HydrophobicContact CG1-CD1 3.88Å; V16-I39 HydrophobicContact CG1-CG2 4.46Å; V18-I39 HydrophobicContact CG2-CG2 3.96Å; Y28-I39 HydrophobicContact CD2-CG2 4.09Å; Y28-I39 HydrophobicContact CG-CG2 4.03Å; F30-I39 HydrophobicContact CB-CD1 4.36Å; T34-I39 HydrophobicContact CG2-CD1 3.94Å; T34-I39 HydrophobicContact CG2-CG1 3.88Å; V36-I39 PolarHBondContact O-N 2.78Å; E37-I39 PolarHBondContact O-N 3.44Å; I39-H41 VanDerWaalsContact C-N 3.33Å; I39-H41 PolarHBondContact O-N 3.41Å; I39-D42 PolarHBondContact O-N 3.24Å; I39-V43 VanDerWaalsContact O-CG2 3.23Å; I39-V43 WeakPolarHBondContact O-CG2 3.46Å; I39-V43 PolarHBondContact O-N 3Å; I39-L57 HydrophobicContact CB-CD1 4.32Å; I39-L57 HydrophobicContact CG2-CD1 4.02Å; I39-M75 HydrophobicContact CD1-CB 3.97Å; I39-M75 HydrophobicContact CD1-CG 3.58Å; I39-M75 HydrophobicContact CD1-SD 3.57Å; I39-M75 VanDerWaalsContact CD1-SD 3.57Å
40	F	97.6	Very high	94.6	Very high	31 Å²	31	57.2 Å²	57.2	14%	0.136	31%	0.305	C	S	.	.	H	α-helix	trans	-61.6	-41.5	176.8	175.5	-103.5	0	0	0	112.1	V36 E37 D38 V43 C44 R52 F55 L57 F117	V36-F40 WeakPolarHBondContact O-CB 3.35Å; V36-F40 PolarHBondContact O-N 3.26Å; E37-F40 PolarHBondContact O-N 2.94Å; D38-F40 VanDerWaalsContact C-N 3.35Å; D38-F40 PolarHBondContact O-N 3.2Å; F40-V43 PolarHBondContact O-N 2.87Å; F40-C44 WeakPolarHBondContact CZ-SG 3.35Å; F40-C44 PolarHBondContact O-N 3.2Å; F40-C44 PolarHBondContact O-SG 3Å; F40-R52 HydrophobicContact CE1-CB 4.15Å; F40-R52 HydrophobicContact CZ-CB 4.28Å; F40-F55 HydrophobicContact CE2-CB 3.83Å; F40-F55 HydrophobicContact CZ-CB 3.96Å; F40-L57 HydrophobicContact CB-CD1 4.09Å; F40-L57 HydrophobicContact CB-CG 4.25Å; F40-L57 HydrophobicContact CD2-CG 4.18Å; F40-F117 HydrophobicContact CD2-CD2 4.31Å; F40-F117 HydrophobicContact CD2-CE2 4.1Å; F40-F117 HydrophobicContact CE2-CD2 4.16Å; F40-F117 AromaticContact CE2-CE2 3.59Å; F40-F117 HydrophobicContact CE2-CE2 3.59Å; F40-F117 HydrophobicContact CZ-CE2 4.49Å
41	H	96.6	Very high	94.6	Very high	86 Å²	86	58.8 Å²	58.8	40%	0.398	31%	0.313	S	S	.	.	H	α-helix	trans	-61.5	-45.1	176.5	179.2	-83.8	0	0	0	111.5	E37 D38 I39 V43 C44 S45 R52	E37-H41 VanDerWaalsContact O-CB 3.31Å; E37-H41 WeakPolarHBondContact O-CB 3.39Å; E37-H41 PolarHBondContact O-N 3.3Å; D38-H41 WeakPolarHBondContact O-CB 3.31Å; D38-H41 PolarHBondContact O-N 2.89Å; I39-H41 VanDerWaalsContact C-N 3.33Å; I39-H41 PolarHBondContact O-N 3.41Å; H41-V43 VanDerWaalsContact C-N 3.35Å; H41-C44 PolarHBondContact O-N 3.34Å; H41-S45 PolarHBondContact CE1-OG 2.79Å; H41-S45 VanDerWaalsContact CE1-OG 3.29Å; H41-S45 VanDerWaalsContact O-CB 3.32Å; H41-S45 WeakPolarHBondContact O-CB 3.49Å; H41-S45 PolarHBondContact O-N 2.96Å; H41-S45 PolarHBondContact O-OG 3.39Å; H41-R52 PolarHBondContact CD2-NH1 2.84Å; H41-R52 PolarHBondContact NE2-NH1 2.98Å
42	D	96.4	Very high	94.6	Very high	85 Å²	85	57.5 Å²	57.5	46%	0.455	30%	0.298	S	S	.	.	H	α-helix	trans	-64.7	-39.2	177.6	-73.6	-13.1	0	0	0	112.1	Y28 D38 I39 S45 S46	Y28-D42 HydrophobicContact CD1-CB 4.14Å; Y28-D42 HydrophobicContact CE1-CB 3.58Å; D38-D42 PolarHBondContact O-N 3.45Å; I39-D42 PolarHBondContact O-N 3.24Å; D42-S45 PolarHBondContact O-N 3.27Å; D42-S46 WeakPolarHBondContact O-CB 2.92Å; D42-S46 PolarHBondContact O-N 2.95Å
43	V	96.5	Very high	94.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.8	-52.7	173.6	172	0	0	0	0	110.4	V18 L20 Y28 I39 F40 H41 S45 S46 M47 F117	V18-V43 HydrophobicContact CB-CG2 4.44Å; V18-V43 HydrophobicContact CG1-CG2 3.94Å; V18-V43 HydrophobicContact CG2-CG2 4.33Å; L20-V43 HydrophobicContact CD2-CG1 3.62Å; Y28-V43 HydrophobicContact CD2-CG2 4.37Å; Y28-V43 HydrophobicContact CE2-CG2 3.48Å; Y28-V43 VanDerWaalsContact CE2-CG2 3.48Å; Y28-V43 WeakPolarHBondContact OH-CA 3.35Å; Y28-V43 WeakPolarHBondContact OH-CG2 3.45Å; I39-V43 VanDerWaalsContact O-CG2 3.23Å; I39-V43 WeakPolarHBondContact O-CG2 3.46Å; I39-V43 PolarHBondContact O-N 3Å; F40-V43 PolarHBondContact O-N 2.87Å; H41-V43 VanDerWaalsContact C-N 3.35Å; V43-S45 VanDerWaalsContact C-N 3.3Å; V43-S45 PolarHBondContact O-N 2.83Å; V43-S46 PolarHBondContact O-N 3.24Å; V43-S46 PolarHBondContact O-OG 3.02Å; V43-M47 HydrophobicContact CG1-SD 4.07Å; V43-M47 WeakPolarHBondContact O-CG 3.4Å; V43-M47 PolarHBondContact O-N 2.88Å; V43-F117 HydrophobicContact CG1-CB 4.42Å; V43-F117 HydrophobicContact CG1-CD2 3.54Å; V43-F117 HydrophobicContact CG1-CE2 3.95Å; V43-F117 HydrophobicContact CG1-CG 4.07Å
44	C	95.7	Very high	94.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.5	-41.6	179.6	-68.2	0	0	0	0	112.1	F40 H41 M47 N48 L49 R52	F40-C44 WeakPolarHBondContact CZ-SG 3.35Å; F40-C44 PolarHBondContact O-N 3.2Å; F40-C44 PolarHBondContact O-SG 3Å; H41-C44 PolarHBondContact O-N 3.34Å; C44-M47 CarbonylContact O-C 3.5Å; C44-M47 PolarHBondContact O-N 3.32Å; C44-N48 PolarHBondContact O-N 3.11Å; C44-N48 VanDerWaalsContact O-N 3.09Å; C44-L49 HydrophobicContact CB-CB 4.38Å; C44-L49 PolarHBondContact O-N 3.05Å; C44-R52 HydrophobicContact CB-CG 3.9Å
45	S	94.6	Very high	94.9	Very high	44 Å²	44	53.4 Å²	53.4	31%	0.308	28%	0.275	S	S	.	.	H	α-helix	trans	-64.6	-40.4	177.9	-59.6	0	0	0	0	111.7	H41 D42 V43 M47 N48	H41-S45 PolarHBondContact CE1-OG 2.79Å; H41-S45 VanDerWaalsContact CE1-OG 3.29Å; H41-S45 VanDerWaalsContact O-CB 3.32Å; H41-S45 WeakPolarHBondContact O-CB 3.49Å; H41-S45 PolarHBondContact O-N 2.96Å; H41-S45 PolarHBondContact O-OG 3.39Å; D42-S45 PolarHBondContact O-N 3.27Å; V43-S45 VanDerWaalsContact C-N 3.3Å; V43-S45 PolarHBondContact O-N 2.83Å; S45-M47 PolarHBondContact O-N 2.78Å; S45-N48 PolarHBondContact O-N 2.92Å; S45-N48 VanDerWaalsContact O-N 3.14Å; S45-N48 PolarHBondContact O-OD1 3.47Å
46	S	93.4	Very high	94.9	Very high	72 Å²	72	51.6 Å²	51.6	50%	0.503	27%	0.267	S	S	.	.	H	α-helix	trans	-64.8	-23.2	176.5	79.1	0	0	0	0	113.7	D42 V43	D42-S46 WeakPolarHBondContact O-CB 2.92Å; D42-S46 PolarHBondContact O-N 2.95Å; V43-S46 PolarHBondContact O-N 3.24Å; V43-S46 PolarHBondContact O-OG 3.02Å
47	M	92	Very high	95	Very high	34 Å²	34	51.6 Å²	51.6	17%	0.167	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	3.4	179.2	-63.8	176	64.2	0	0	112.7	L20 V43 C44 S45 L49 F117 I136	L20-M47 HydrophobicContact CD1-CG 4.43Å; L20-M47 HydrophobicContact CD1-SD 3.96Å; L20-M47 HydrophobicContact CD2-SD 3.99Å; L20-M47 HydrophobicContact CG-SD 4.49Å; V43-M47 HydrophobicContact CG1-SD 4.07Å; V43-M47 WeakPolarHBondContact O-CG 3.4Å; V43-M47 PolarHBondContact O-N 2.88Å; C44-M47 CarbonylContact O-C 3.5Å; C44-M47 PolarHBondContact O-N 3.32Å; S45-M47 PolarHBondContact O-N 2.78Å; M47-L49 HydrophobicContact CB-CD1 4.05Å; M47-L49 HydrophobicContact CB-CG 3.84Å; M47-L49 HydrophobicContact CE-CD1 4.16Å; M47-L49 PolarHBondContact O-N 2.95Å; M47-L49 HydrophobicContact SD-CD1 4.41Å; M47-F117 HydrophobicContact CE-CE1 4.34Å; M47-F117 HydrophobicContact SD-CE1 4.44Å; M47-I136 HydrophobicContact CE-CB 4.5Å; M47-I136 HydrophobicContact CE-CD1 3.34Å; M47-I136 HydrophobicContact CE-CG1 3.62Å; M47-I136 HydrophobicContact CE-CG2 4Å
48	N	92	Very high	94.9	Very high	121 Å²	121	46.5 Å²	46.5	65%	0.647	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	25.4	-175.9	-64.7	-34.7	0	0	0	115.2	C44 S45	C44-N48 PolarHBondContact O-N 3.11Å; C44-N48 VanDerWaalsContact O-N 3.09Å; S45-N48 PolarHBondContact O-N 2.92Å; S45-N48 VanDerWaalsContact O-N 3.14Å; S45-N48 PolarHBondContact O-OD1 3.47Å
49	L	93	Very high	94.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.			trans	-77.3	128.4	-176.7	-60.7	175.9	0	0	0	112.2	C44 M47 R52 F55 F117 A132 I136	C44-L49 HydrophobicContact CB-CB 4.38Å; C44-L49 PolarHBondContact O-N 3.05Å; M47-L49 HydrophobicContact CB-CD1 4.05Å; M47-L49 HydrophobicContact CB-CG 3.84Å; M47-L49 HydrophobicContact CE-CD1 4.16Å; M47-L49 PolarHBondContact O-N 2.95Å; M47-L49 HydrophobicContact SD-CD1 4.41Å; L49-R52 PolarHBondContact O-NE 3.25Å; L49-F55 HydrophobicContact CD1-CD2 4.27Å; L49-F55 HydrophobicContact CD1-CE2 3.94Å; L49-F55 HydrophobicContact CD1-CZ 4.43Å; L49-F117 HydrophobicContact CD1-CE1 4.29Å; L49-F117 HydrophobicContact CD1-CZ 3.77Å; L49-A132 HydrophobicContact CD2-CB 4.31Å; L49-I136 HydrophobicContact CD2-CG1 4.23Å
50	Q	90.1	Very high	94.2	Very high	138 Å²	138	45.5 Å²	45.5	65%	0.645	24%	0.238	S	C	*	.	S	Bend	trans	-96.6	-41.6	172.8	-56.6	-56.4	-50.3	0	0	111.9	R52 E130	Q50-R52 VanDerWaalsContact C-N 3.32Å; Q50-R52 PolarHBondContact O-N 2.79Å; Q50-E130 WeakPolarHBondContact CB-OE2 3.2Å; Q50-E130 PolarHBondContact N-OE2 2.95Å
51	E	92.4	Very high	93.5	Very high	48 Å²	48	45 Å²	45	22%	0.224	24%	0.238	C	C	.	.			trans	-83.8	72.1	-179.9	-67.3	174.9	128.6	0	0	110.6	F55 I128 N129 E130 T133	E51-F55 WeakPolarHBondContact O-CE2 3.37Å; E51-I128 VanDerWaalsContact OE2-CG2 3.28Å; E51-I128 WeakPolarHBondContact OE2-CG2 3.42Å; E51-N129 PolarHBondContact OE1-N 3.22Å; E51-N129 PolarHBondContact OE1-ND2 3.16Å; E51-N129 PolarHBondContact OE2-N 2.87Å; E51-E130 VanDerWaalsContact OE2-CB 3.27Å; E51-E130 WeakPolarHBondContact OE2-CB 3.25Å; E51-E130 PolarHBondContact OE2-N 2.87Å; E51-T133 HydrophobicContact CB-CG2 3.97Å
52	R	93.7	Very high	92.2	Very high	59 Å²	59	44.6 Å²	44.6	22%	0.223	24%	0.239	C	C	.	.			trans	-82.6	-28.5	-169.1	-59.5	172.6	-172.3	-177.9	-3.4	114.2	F40 H41 C44 L49 Q50 I54 F55	F40-R52 HydrophobicContact CE1-CB 4.15Å; F40-R52 HydrophobicContact CZ-CB 4.28Å; H41-R52 PolarHBondContact CD2-NH1 2.84Å; H41-R52 PolarHBondContact NE2-NH1 2.98Å; C44-R52 HydrophobicContact CB-CG 3.9Å; L49-R52 PolarHBondContact O-NE 3.25Å; Q50-R52 VanDerWaalsContact C-N 3.32Å; Q50-R52 PolarHBondContact O-N 2.79Å; R52-I54 PolarHBondContact O-N 3.09Å; R52-F55 PolarHBondContact O-N 2.77Å
53	D	92.8	Very high	90.8	Very high	145 Å²	145	47.8 Å²	47.8	78%	0.775	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.9	-168.6	-59	-31.5	0	0	0	114.1	F55 F121	D53-F55 VanDerWaalsContact C-N 3.31Å; D53-F121 WeakPolarHBondContact O-CD2 3.43Å
54	I	94.7	Very high	89.5	Confident	17 Å²	17	56.3 Å²	56.3	9%	0.087	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-15	177.6	67.3	178.6	0	0	0	113.1	R52 R120 F121 I123 I128 T133 Y137	R52-I54 PolarHBondContact O-N 3.09Å; I54-R120 PolarHBondContact O-N 3.44Å; I54-F121 PolarHBondContact O-N 3.07Å; I54-F121 VanDerWaalsContact O-N 3.09Å; I54-I123 HydrophobicContact CG2-CD1 3.75Å; I54-I123 HydrophobicContact CG2-CG1 4.34Å; I54-I128 HydrophobicContact CD1-CD1 4.15Å; I54-I128 HydrophobicContact CD1-CG1 4.5Å; I54-T133 HydrophobicContact CD1-CG2 3.47Å; I54-T133 VanDerWaalsContact CD1-CG2 3.47Å; I54-Y137 HydrophobicContact CD1-CD2 4.15Å
55	F	97	Very high	89	Confident	7 Å²	7	57.4 Å²	57.4	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	168.6	-175.2	-56.6	-74.8	0	0	0	112.3	F40 L49 E51 R52 D53 F117 R118 V119 T133 I136	F40-F55 HydrophobicContact CE2-CB 3.83Å; F40-F55 HydrophobicContact CZ-CB 3.96Å; L49-F55 HydrophobicContact CD1-CD2 4.27Å; L49-F55 HydrophobicContact CD1-CE2 3.94Å; L49-F55 HydrophobicContact CD1-CZ 4.43Å; E51-F55 WeakPolarHBondContact O-CE2 3.37Å; R52-F55 PolarHBondContact O-N 2.77Å; D53-F55 VanDerWaalsContact C-N 3.31Å; F55-F117 HydrophobicContact CB-CE1 4.17Å; F55-F117 HydrophobicContact CB-CE2 3.77Å; F55-F117 HydrophobicContact CB-CZ 3.47Å; F55-F117 VanDerWaalsContact CB-CZ 3.47Å; F55-F117 AromaticContact CD1-CE1 3.54Å; F55-F117 HydrophobicContact CD1-CE1 3.54Å; F55-F117 AromaticContact CD1-CZ 3.62Å; F55-F117 HydrophobicContact CD1-CZ 3.62Å; F55-F117 HydrophobicContact CD2-CE1 4.48Å; F55-F117 AromaticContact CD2-CZ 3.83Å; F55-F117 HydrophobicContact CD2-CZ 3.83Å; F55-F117 AromaticContact CE1-CE1 3.98Å; F55-F117 HydrophobicContact CE1-CE1 3.98Å; F55-F117 HydrophobicContact CE1-CZ 4.28Å; F55-F117 HydrophobicContact CE2-CZ 4.44Å; F55-F117 AromaticContact CG-CE1 3.82Å; F55-F117 HydrophobicContact CG-CE1 3.82Å; F55-F117 HydrophobicContact CG-CE2 4.18Å; F55-F117 AromaticContact CG-CZ 3.36Å; F55-F117 HydrophobicContact CG-CZ 3.36Å; F55-R118 CarbonylContact C-O 3.51Å; F55-R118 WeakPolarHBondContact CA-O 3.26Å; F55-V119 HydrophobicContact CD1-CG2 3.95Å; F55-V119 HydrophobicContact CE1-CG2 3.76Å; F55-T133 HydrophobicContact CE2-CG2 3.8Å; F55-T133 HydrophobicContact CZ-CG2 3.85Å; F55-I136 HydrophobicContact CE1-CB 4.47Å; F55-I136 HydrophobicContact CE1-CG2 3.69Å; F55-I136 HydrophobicContact CZ-CB 4.25Å; F55-I136 HydrophobicContact CZ-CG2 3.88Å
56	G	97.1	Very high	88.8	Confident	8 Å²	8	57.9 Å²	57.9	8%	0.082	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	171.4	170.6	0	0	0	0	0	111.9	R118	G56-R118 PolarHBondContact N-O 3.49Å; G56-R118 PolarHBondContact O-N 3.41Å
57	L	97.3	Very high	88.8	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.2	168.2	-64.2	178	0	0	0	109.2	V18 V36 I39 F40 I69 V115 Y116 F117	V18-L57 HydrophobicContact CG1-CD2 4.03Å; V36-L57 HydrophobicContact CG1-CB 4.35Å; V36-L57 HydrophobicContact CG1-CD1 3.99Å; I39-L57 HydrophobicContact CB-CD1 4.32Å; I39-L57 HydrophobicContact CG2-CD1 4.02Å; F40-L57 HydrophobicContact CB-CD1 4.09Å; F40-L57 HydrophobicContact CB-CG 4.25Å; F40-L57 HydrophobicContact CD2-CG 4.18Å; L57-I69 HydrophobicContact CB-CD1 4.32Å; L57-I69 PolarHBondContact O-N 3.24Å; L57-V115 HydrophobicContact CD2-CG2 4.33Å; L57-Y116 WeakPolarHBondContact CA-O 3.39Å; L57-F117 HydrophobicContact CD2-CB 4.37Å; L57-F117 HydrophobicContact CD2-CD2 4.41Å
58	A	95.5	Very high	88.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155.7	179.5	0	0	0	0	0	111.5	W66 L67 F68 V115 Y116 R118	A58-W66 HydrophobicContact CB-CB 4.11Å; A58-W66 HydrophobicContact CB-CE3 4.13Å; A58-L67 CarbonylContact C-O 3.57Å; A58-L67 WeakPolarHBondContact CA-O 3.09Å; A58-F68 HydrophobicContact CB-CD1 3.99Å; A58-F68 HydrophobicContact CB-CE1 4.03Å; A58-F68 HydrophobicContact CB-CG 4.24Å; A58-F68 HydrophobicContact CB-CZ 4.31Å; A58-V115 CarbonylContact O-C 3.57Å; A58-V115 WeakPolarHBondContact O-CA 3.47Å; A58-Y116 PolarHBondContact N-O 2.89Å; A58-Y116 PolarHBondContact O-N 3.36Å; A58-R118 HydrophobicContact CB-CB 4.46Å; A58-R118 HydrophobicContact CB-CG 4.22Å
59	M	92.1	Very high	89	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.015	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	152.6	168.2	63.8	-178.4	78.7	0	0	110.3	W66 L67 I69 I78 Y82 F83	M59-W66 WeakPolarHBondContact O-CA 3.31Å; M59-L67 HydrophobicContact CG-CB 3.8Å; M59-L67 HydrophobicContact CG-CD2 4.23Å; M59-L67 HydrophobicContact CG-CG 4.36Å; M59-L67 PolarHBondContact N-O 2.92Å; M59-L67 PolarHBondContact O-N 3.46Å; M59-L67 HydrophobicContact SD-CD2 3.99Å; M59-I69 HydrophobicContact CE-CD1 3.98Å; M59-I69 HydrophobicContact CE-CG1 3.75Å; M59-I78 HydrophobicContact CE-CG2 3.69Å; M59-Y82 HydrophobicContact CE-CD1 4.02Å; M59-Y82 HydrophobicContact CE-CD2 3.65Å; M59-Y82 HydrophobicContact CE-CE1 4.39Å; M59-Y82 HydrophobicContact CE-CE2 4.06Å; M59-Y82 HydrophobicContact CE-CG 3.63Å; M59-Y82 HydrophobicContact SD-CD1 3.49Å; M59-Y82 WeakPolarHBondContact SD-CD1 3.42Å; M59-Y82 HydrophobicContact SD-CD2 4.21Å; M59-Y82 HydrophobicContact SD-CE1 4.09Å; M59-Y82 HydrophobicContact SD-CG 3.55Å; M59-Y82 VanDerWaalsContact SD-CG 3.55Å; M59-F83 HydrophobicContact CB-CZ 4.38Å; M59-F83 HydrophobicContact CE-CE2 4.44Å
60	L	87.6	Confident	89.1	Confident	53 Å²	53	57.1 Å²	57.1	28%	0.277	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	117.2	174.4	-176	66	0	0	0	109	W66 C106 Y116	L60-W66 HydrophobicContact CB-CE3 4.28Å; L60-W66 HydrophobicContact CB-CH2 4.03Å; L60-W66 HydrophobicContact CB-CZ3 3.71Å; L60-W66 HydrophobicContact CD1-CD2 4.47Å; L60-W66 HydrophobicContact CD1-CE3 4.42Å; L60-W66 HydrophobicContact CD1-CH2 3.93Å; L60-W66 HydrophobicContact CD1-CZ2 3.97Å; L60-W66 HydrophobicContact CD1-CZ3 4.18Å; L60-W66 HydrophobicContact CG-CH2 4.4Å; L60-W66 HydrophobicContact CG-CZ3 4.49Å; L60-C106 PolarHBondContact O-SG 2.95Å; L60-Y116 HydrophobicContact CB-CE2 4.43Å
61	C	82.8	Confident	89.4	Confident	20 Å²	20	52.8 Å²	52.8	14%	0.135	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114	176.6	-67	0	0	0	0	110	D63 E64 G65	C61-D63 PolarHBondContact O-N 2.91Å; C61-E64 PolarHBondContact O-N 3.1Å; C61-G65 PolarHBondContact N-O 2.92Å
62	N	68.8	Low	89.5	Confident	78 Å²	78	54 Å²	54	42%	0.417	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.9	39.9	165.4	-62.1	-10.5	0	0	0	116.5	E64 N104 H105	N62-E64 PolarHBondContact O-N 2.95Å; N62-N104 PolarHBondContact ND2-O 2.87Å; N62-N104 PolarHBondContact OD1-O 3.06Å; N62-N104 VanDerWaalsContact OD1-O 3.11Å; N62-H105 PolarHBondContact OD1-O 2.92Å
63	D	68.5	Low	89.5	Confident	152 Å²	152	54.5 Å²	54.5	81%	0.813	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	4	-175.5	-52.7	-39.1	0	0	0	115.6	C61	C61-D63 PolarHBondContact O-N 2.91Å
64	E	69.4	Low	89.6	Confident	180 Å²	180	50.7 Å²	50.7	84%	0.841	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-20.6	-179.7	-65	-168.2	158.7	0	0	112.9	C61 N62	C61-E64 PolarHBondContact O-N 3.1Å; N62-E64 PolarHBondContact O-N 2.95Å
65	G	84.2	Confident	89.5	Confident	22 Å²	22	50 Å²	50	23%	0.227	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.3	-166.6	175.6	0	0	0	0	0	115	C61	C61-G65 PolarHBondContact N-O 2.92Å
66	W	90.5	Very high	89.1	Confident	54 Å²	54	52 Å²	52	21%	0.205	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.4	-179.1	-61.4	101.5	0	0	0	110.6	A58 M59 L60 F68 Y116 R118 Y148	A58-W66 HydrophobicContact CB-CB 4.11Å; A58-W66 HydrophobicContact CB-CE3 4.13Å; M59-W66 WeakPolarHBondContact O-CA 3.31Å; L60-W66 HydrophobicContact CB-CE3 4.28Å; L60-W66 HydrophobicContact CB-CH2 4.03Å; L60-W66 HydrophobicContact CB-CZ3 3.71Å; L60-W66 HydrophobicContact CD1-CD2 4.47Å; L60-W66 HydrophobicContact CD1-CE3 4.42Å; L60-W66 HydrophobicContact CD1-CH2 3.93Å; L60-W66 HydrophobicContact CD1-CZ2 3.97Å; L60-W66 HydrophobicContact CD1-CZ3 4.18Å; L60-W66 HydrophobicContact CG-CH2 4.4Å; L60-W66 HydrophobicContact CG-CZ3 4.49Å; W66-F68 HydrophobicContact CB-CE2 4.39Å; W66-Y116 HydrophobicContact CE3-CD2 4.39Å; W66-Y116 HydrophobicContact CE3-CG 4.38Å; W66-Y116 AromaticContact CH2-CD1 3.88Å; W66-Y116 HydrophobicContact CH2-CD1 3.88Å; W66-Y116 HydrophobicContact CH2-CD2 4.1Å; W66-Y116 HydrophobicContact CH2-CE1 4.13Å; W66-Y116 HydrophobicContact CH2-CE2 4.32Å; W66-Y116 AromaticContact CH2-CG 3.86Å; W66-Y116 HydrophobicContact CH2-CG 3.86Å; W66-Y116 AromaticContact CZ3-CD1 3.93Å; W66-Y116 HydrophobicContact CZ3-CD1 3.93Å; W66-Y116 AromaticContact CZ3-CD2 3.41Å; W66-Y116 HydrophobicContact CZ3-CD2 3.41Å; W66-Y116 VanDerWaalsContact CZ3-CD2 3.41Å; W66-Y116 HydrophobicContact CZ3-CE1 4.4Å; W66-Y116 AromaticContact CZ3-CE2 3.92Å; W66-Y116 HydrophobicContact CZ3-CE2 3.92Å; W66-Y116 AromaticContact CZ3-CG 3.4Å; W66-Y116 HydrophobicContact CZ3-CG 3.4Å; W66-Y116 VanDerWaalsContact CZ3-CG 3.4Å; W66-R118 HydrophobicContact CD2-CG 4.38Å; W66-R118 HydrophobicContact CE3-CG 4.39Å; W66-Y148 VanDerWaalsContact CD1-OH 3.31Å; W66-Y148 PolarHBondContact NE1-OH 3.03Å
67	L	92.4	Very high	88.8	Confident	47 Å²	47	57.5 Å²	57.5	25%	0.246	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	111.2	168.7	179.5	66.5	0	0	0	109	A58 M59 Y82	A58-L67 CarbonylContact C-O 3.57Å; A58-L67 WeakPolarHBondContact CA-O 3.09Å; M59-L67 HydrophobicContact CG-CB 3.8Å; M59-L67 HydrophobicContact CG-CD2 4.23Å; M59-L67 HydrophobicContact CG-CG 4.36Å; M59-L67 PolarHBondContact N-O 2.92Å; M59-L67 PolarHBondContact O-N 3.46Å; M59-L67 HydrophobicContact SD-CD2 3.99Å; L67-Y82 HydrophobicContact CD2-CD1 4.41Å; L67-Y82 HydrophobicContact CD2-CE1 3.7Å
68	F	94.9	Very high	88.5	Confident	59 Å²	59	57.7 Å²	57.7	26%	0.259	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	134.1	174.8	-77.3	-87.1	0	0	0	110.7	A58 W66 R118 V119 R120	A58-F68 HydrophobicContact CB-CD1 3.99Å; A58-F68 HydrophobicContact CB-CE1 4.03Å; A58-F68 HydrophobicContact CB-CG 4.24Å; A58-F68 HydrophobicContact CB-CZ 4.31Å; W66-F68 HydrophobicContact CB-CE2 4.39Å; F68-R118 HydrophobicContact CE1-CB 3.92Å; F68-R118 HydrophobicContact CZ-CB 3.85Å; F68-V119 VanDerWaalsContact CZ-O 3.31Å; F68-V119 WeakPolarHBondContact CZ-O 3.46Å; F68-R120 HydrophobicContact CD1-CB 3.82Å; F68-R120 HydrophobicContact CD1-CG 3.8Å; F68-R120 HydrophobicContact CD2-CG 4.3Å; F68-R120 HydrophobicContact CE1-CB 3.51Å; F68-R120 HydrophobicContact CE1-CG 3.96Å; F68-R120 HydrophobicContact CE2-CG 4.45Å; F68-R120 HydrophobicContact CG-CB 4.46Å; F68-R120 HydrophobicContact CG-CG 3.98Å; F68-R120 VanDerWaalsContact CZ-CA 3.44Å; F68-R120 HydrophobicContact CZ-CB 3.92Å; F68-R120 HydrophobicContact CZ-CG 4.31Å
69	I	95.3	Very high	88.1	Confident	9 Å²	9	58.2 Å²	58.2	5%	0.046	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-87.7	136.5	-178.1	-52.7	167.9	0	0	0	108.3	V36 L57 M59 I78 V115	V36-I69 HydrophobicContact CB-CG2 4.24Å; V36-I69 HydrophobicContact CG1-CB 4.12Å; V36-I69 HydrophobicContact CG1-CG2 3.82Å; V36-I69 HydrophobicContact CG2-CG2 3.56Å; L57-I69 HydrophobicContact CB-CD1 4.32Å; L57-I69 PolarHBondContact O-N 3.24Å; M59-I69 HydrophobicContact CE-CD1 3.98Å; M59-I69 HydrophobicContact CE-CG1 3.75Å; I69-I78 HydrophobicContact CD1-CG2 4.19Å; I69-I78 HydrophobicContact CG2-CD1 3.7Å; I69-I78 HydrophobicContact CG2-CG1 3.76Å; I69-I78 HydrophobicContact CG2-CG2 4.34Å; I69-V115 HydrophobicContact CD1-CB 4.29Å; I69-V115 HydrophobicContact CD1-CG1 3.68Å
70	E	94.7	Very high	87.8	Confident	97 Å²	97	61.5 Å²	61.5	45%	0.453	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-69.3	126.5	177.5	-171.8	58.9	-155.2	0	0	110.3	S72 E73	E70-S72 WeakPolarHBondContact CG-OG 3.22Å; E70-S72 PolarHBondContact O-N 3.48Å; E70-E73 HydrophobicContact CB-CG 4.01Å; E70-E73 PolarHBondContact O-N 2.93Å; E70-E73 VanDerWaalsContact O-N 3.15Å
71	P	95.1	Very high	87.6	Confident	46 Å²	46	64.3 Å²	64.3	30%	0.299	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.4	-175	-25.5	34.8	0	0	0	114	E37 E73	E37-P71 HydrophobicContact CB-CB 3.94Å; E37-P71 WeakPolarHBondContact CB-O 3.37Å; E37-P71 HydrophobicContact CG-CB 4.47Å; E37-P71 PolarHBondContact N-O 3.32Å; P71-E73 VanDerWaalsContact C-N 3.26Å; P71-E73 PolarHBondContact O-N 3.34Å
72	S	94.7	Very high	87.5	Confident	74 Å²	74	66.9 Å²	66.9	52%	0.517	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-3.3	-178.7	60.5	0	0	0	0	114.4	L35 E70	L35-S72 WeakPolarHBondContact CD2-O 3.32Å; E70-S72 WeakPolarHBondContact CG-OG 3.22Å; E70-S72 PolarHBondContact O-N 3.48Å
73	E	94.4	Very high	87.9	Confident	70 Å²	70	63.9 Å²	63.9	33%	0.327	32%	0.32	S	S	.	.	S	Bend	trans	-83.9	150.4	177.3	-75.2	-66.2	159	0	0	112.5	L35 V36 E70 P71 I78	L35-E73 WeakPolarHBondContact CA-O 3.24Å; V36-E73 WeakPolarHBondContact CG2-O 3.29Å; V36-E73 PolarHBondContact N-O 3.35Å; E70-E73 HydrophobicContact CB-CG 4.01Å; E70-E73 PolarHBondContact O-N 2.93Å; E70-E73 VanDerWaalsContact O-N 3.15Å; P71-E73 VanDerWaalsContact C-N 3.26Å; P71-E73 PolarHBondContact O-N 3.34Å; E73-I78 HydrophobicContact CB-CD1 3.93Å; E73-I78 HydrophobicContact CB-CG1 4.26Å; E73-I78 HydrophobicContact CG-CD1 4.38Å
74	F	94.4	Very high	88	Confident	65 Å²	65	59.3 Å²	59.3	29%	0.285	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-78.5	133.9	175.3	-67.4	-75.5	0	0	0	111.5	N32 L35 H76 R77 I78	N32-F74 VanDerWaalsContact O-CD1 3.28Å; N32-F74 WeakPolarHBondContact O-CD1 3.44Å; L35-F74 HydrophobicContact CD2-CD1 3.72Å; L35-F74 HydrophobicContact CD2-CE1 3.73Å; L35-F74 HydrophobicContact CD2-CG 4.21Å; L35-F74 HydrophobicContact CD2-CZ 4.23Å; L35-F74 HydrophobicContact CG-CE1 4.44Å; F74-H76 VanDerWaalsContact C-N 3.27Å; F74-H76 VanDerWaalsContact CB-CE1 3.48Å; F74-H76 WeakPolarHBondContact CB-CE1 3.44Å; F74-H76 WeakPolarHBondContact CB-ND1 3.2Å; F74-H76 AromaticContact CG-CE1 3.87Å; F74-H76 PolarHBondContact O-N 3.5Å; F74-R77 HydrophobicContact CB-CG 4.18Å; F74-R77 WeakPolarHBondContact O-CB 3.49Å; F74-R77 PolarHBondContact O-N 3.1Å; F74-I78 PolarHBondContact O-N 2.93Å
75	M	92.6	Very high	87.3	Confident	1 Å²	1	55 Å²	55	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-56.9	-41	-177.7	-167.4	68.2	-148.8	0	0	112	V16 F30 T34 V36 I39 R77 I78 I79 V115	V16-M75 HydrophobicContact CB-CE 3.89Å; V16-M75 HydrophobicContact CG1-CE 4.32Å; V16-M75 HydrophobicContact CG2-CE 3.5Å; V16-M75 VanDerWaalsContact CG2-CE 3.5Å; F30-M75 HydrophobicContact CB-CB 4.09Å; F30-M75 HydrophobicContact CB-CG 4.08Å; F30-M75 HydrophobicContact CD1-CG 3.99Å; F30-M75 HydrophobicContact CD2-CB 4.06Å; F30-M75 HydrophobicContact CD2-CG 4.07Å; F30-M75 HydrophobicContact CE1-CG 4.44Å; F30-M75 HydrophobicContact CG-CB 4.07Å; F30-M75 HydrophobicContact CG-CG 3.79Å; T34-M75 PolarHBondContact O-N 3.05Å; V36-M75 HydrophobicContact CG2-SD 4.24Å; I39-M75 HydrophobicContact CD1-CB 3.97Å; I39-M75 HydrophobicContact CD1-CG 3.58Å; I39-M75 HydrophobicContact CD1-SD 3.57Å; I39-M75 VanDerWaalsContact CD1-SD 3.57Å; M75-R77 VanDerWaalsContact C-N 3.28Å; M75-R77 PolarHBondContact O-N 2.96Å; M75-I78 WeakPolarHBondContact O-CB 3.23Å; M75-I78 PolarHBondContact O-N 2.85Å; M75-I78 VanDerWaalsContact O-N 3.15Å; M75-I79 HydrophobicContact CE-CD1 3.37Å; M75-I79 HydrophobicContact CE-CG1 4.06Å; M75-I79 WeakPolarHBondContact O-CG1 3.27Å; M75-I79 PolarHBondContact O-N 3.03Å; M75-V115 HydrophobicContact CE-CG1 4.03Å
76	H	90	Very high	85.6	Confident	50 Å²	50	58.7 Å²	58.7	23%	0.231	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-33.6	179	78.6	-88.8	0	0	0	113.3	F30 N32 F74 T80	F30-H76 HydrophobicContact CD2-CB 4.49Å; F30-H76 HydrophobicContact CE2-CB 4.15Å; N32-H76 PolarHBondContact O-CE1 3.22Å; N32-H76 PolarHBondContact O-ND1 2.99Å; F74-H76 VanDerWaalsContact C-N 3.27Å; F74-H76 VanDerWaalsContact CB-CE1 3.48Å; F74-H76 WeakPolarHBondContact CB-CE1 3.44Å; F74-H76 WeakPolarHBondContact CB-ND1 3.2Å; F74-H76 AromaticContact CG-CE1 3.87Å; F74-H76 PolarHBondContact O-N 3.5Å; H76-T80 WeakPolarHBondContact O-CB 3.28Å; H76-T80 PolarHBondContact O-N 2.93Å; H76-T80 PolarHBondContact O-OG1 2.79Å
77	R	90.1	Very high	83.2	Confident	123 Å²	123	64.1 Å²	64.1	46%	0.464	34%	0.336	S	S	.	.	H	α-helix	trans	-69.3	-43.3	175.4	-68.4	-176.2	173.4	-171	-4.2	110.6	F74 M75 I79 T80 N81	F74-R77 HydrophobicContact CB-CG 4.18Å; F74-R77 WeakPolarHBondContact O-CB 3.49Å; F74-R77 PolarHBondContact O-N 3.1Å; M75-R77 VanDerWaalsContact C-N 3.28Å; M75-R77 PolarHBondContact O-N 2.96Å; R77-I79 VanDerWaalsContact C-N 3.32Å; R77-I79 PolarHBondContact O-N 2.87Å; R77-T80 PolarHBondContact O-N 2.88Å; R77-N81 VanDerWaalsContact O-CB 3.29Å; R77-N81 WeakPolarHBondContact O-CB 3.32Å; R77-N81 PolarHBondContact O-N 3.29Å; R77-N81 PolarHBondContact O-ND2 3.17Å
78	I	90.2	Very high	80.8	Confident	9 Å²	9	69.9 Å²	69.9	5%	0.046	36%	0.362	C	S	.	.	H	α-helix	trans	-59.2	-45.1	175.3	-58.1	-56.3	0	0	0	110.7	V36 M59 I69 E73 F74 M75 T80 N81 Y82 F83	V36-I78 HydrophobicContact CG2-CG1 4.04Å; M59-I78 HydrophobicContact CE-CG2 3.69Å; I69-I78 HydrophobicContact CD1-CG2 4.19Å; I69-I78 HydrophobicContact CG2-CD1 3.7Å; I69-I78 HydrophobicContact CG2-CG1 3.76Å; I69-I78 HydrophobicContact CG2-CG2 4.34Å; E73-I78 HydrophobicContact CB-CD1 3.93Å; E73-I78 HydrophobicContact CB-CG1 4.26Å; E73-I78 HydrophobicContact CG-CD1 4.38Å; F74-I78 PolarHBondContact O-N 2.93Å; M75-I78 WeakPolarHBondContact O-CB 3.23Å; M75-I78 PolarHBondContact O-N 2.85Å; M75-I78 VanDerWaalsContact O-N 3.15Å; I78-T80 PolarHBondContact O-N 3.04Å; I78-N81 PolarHBondContact O-N 2.98Å; I78-Y82 HydrophobicContact CD1-CD2 4.42Å; I78-Y82 HydrophobicContact CD1-CE2 4.03Å; I78-Y82 HydrophobicContact CG2-CD2 4Å; I78-Y82 WeakPolarHBondContact O-CB 3.44Å; I78-Y82 WeakPolarHBondContact O-CD2 3.34Å; I78-Y82 PolarHBondContact O-N 2.85Å; I78-F83 HydrophobicContact CG2-CE2 4.3Å
79	I	87.8	Confident	77.6	Confident	10 Å²	10	77.2 Å²	77.2	5%	0.051	39%	0.394	C	S	.	.	I	π-helix	trans	-60.8	-47.8	176.7	-60.5	-39.2	0	0	0	111.5	F30 M75 R77 N81 F83 V84 P113	F30-I79 HydrophobicContact CE1-CG1 4.19Å; F30-I79 HydrophobicContact CE2-CG1 4.32Å; F30-I79 HydrophobicContact CZ-CG1 3.71Å; M75-I79 HydrophobicContact CE-CD1 3.37Å; M75-I79 HydrophobicContact CE-CG1 4.06Å; M75-I79 WeakPolarHBondContact O-CG1 3.27Å; M75-I79 PolarHBondContact O-N 3.03Å; R77-I79 VanDerWaalsContact C-N 3.32Å; R77-I79 PolarHBondContact O-N 2.87Å; I79-N81 PolarHBondContact O-N 2.88Å; I79-F83 HydrophobicContact CD1-CD2 3.71Å; I79-F83 HydrophobicContact CD1-CE2 4.01Å; I79-F83 HydrophobicContact CD1-CG 4.36Å; I79-F83 HydrophobicContact CG2-CB 4.32Å; I79-F83 CarbonylContact O-C 3.54Å; I79-F83 WeakPolarHBondContact O-CA 3.43Å; I79-F83 WeakPolarHBondContact O-CB 3.49Å; I79-F83 PolarHBondContact O-N 3.05Å; I79-V84 PolarHBondContact O-N 2.92Å; I79-P113 HydrophobicContact CD1-CB 3.24Å; I79-P113 HydrophobicContact CD1-CG 3.42Å; I79-P113 VanDerWaalsContact CD1-CG 3.42Å; I79-P113 HydrophobicContact CG1-CB 4.23Å; I79-P113 HydrophobicContact CG1-CG 3.96Å; I79-P113 HydrophobicContact CG2-CB 4.43Å; I79-P113 HydrophobicContact CG2-CG 4.26Å
80	T	85.5	Confident	74.6	Confident	73 Å²	73	82.6 Å²	82.6	45%	0.448	43%	0.43	S	S	.	.	I	π-helix	trans	-64.9	-41.5	-177.5	-54.9	0	0	0	0	112	H76 R77 I78	H76-T80 WeakPolarHBondContact O-CB 3.28Å; H76-T80 PolarHBondContact O-N 2.93Å; H76-T80 PolarHBondContact O-OG1 2.79Å; R77-T80 PolarHBondContact O-N 2.88Å; I78-T80 PolarHBondContact O-N 3.04Å
81	N	83.7	Confident	71.8	Confident	111 Å²	111	82.4 Å²	82.4	59%	0.594	44%	0.44	S	S	*	.	I	π-helix	trans	-79.4	-32.5	-173.9	-67.9	-10.3	0	0	0	113.4	R77 I78 I79	R77-N81 VanDerWaalsContact O-CB 3.29Å; R77-N81 WeakPolarHBondContact O-CB 3.32Å; R77-N81 PolarHBondContact O-N 3.29Å; R77-N81 PolarHBondContact O-ND2 3.17Å; I78-N81 PolarHBondContact O-N 2.98Å; I79-N81 PolarHBondContact O-N 2.88Å
82	Y	80.9	Confident	68.9	Low	74 Å²	74	85.6 Å²	85.6	29%	0.29	46%	0.459	S	S	.	.	I	π-helix	trans	-114.9	-24.3	-170.6	-63	-84.2	0	0	0	114.5	M59 L67 I78 L103	M59-Y82 HydrophobicContact CE-CD1 4.02Å; M59-Y82 HydrophobicContact CE-CD2 3.65Å; M59-Y82 HydrophobicContact CE-CE1 4.39Å; M59-Y82 HydrophobicContact CE-CE2 4.06Å; M59-Y82 HydrophobicContact CE-CG 3.63Å; M59-Y82 HydrophobicContact SD-CD1 3.49Å; M59-Y82 WeakPolarHBondContact SD-CD1 3.42Å; M59-Y82 HydrophobicContact SD-CD2 4.21Å; M59-Y82 HydrophobicContact SD-CE1 4.09Å; M59-Y82 HydrophobicContact SD-CG 3.55Å; M59-Y82 VanDerWaalsContact SD-CG 3.55Å; L67-Y82 HydrophobicContact CD2-CD1 4.41Å; L67-Y82 HydrophobicContact CD2-CE1 3.7Å; I78-Y82 HydrophobicContact CD1-CD2 4.42Å; I78-Y82 HydrophobicContact CD1-CE2 4.03Å; I78-Y82 HydrophobicContact CG2-CD2 4Å; I78-Y82 WeakPolarHBondContact O-CB 3.44Å; I78-Y82 WeakPolarHBondContact O-CD2 3.34Å; I78-Y82 PolarHBondContact O-N 2.85Å; Y82-L103 HydrophobicContact CD1-CD2 3.49Å; Y82-L103 VanDerWaalsContact CD1-CD2 3.49Å; Y82-L103 HydrophobicContact CE1-CD2 3.35Å
83	F	77.7	Confident	66.2	Low	16 Å²	16	88.7 Å²	88.7	7%	0.07	47%	0.469	C	S	.	.	I	π-helix	trans	-113.8	-9.1	-174.2	-64.5	-90.2	0	0	0	113.4	M59 I78 I79 L108 P113 T114 V115	M59-F83 HydrophobicContact CB-CZ 4.38Å; M59-F83 HydrophobicContact CE-CE2 4.44Å; I78-F83 HydrophobicContact CG2-CE2 4.3Å; I79-F83 HydrophobicContact CD1-CD2 3.71Å; I79-F83 HydrophobicContact CD1-CE2 4.01Å; I79-F83 HydrophobicContact CD1-CG 4.36Å; I79-F83 HydrophobicContact CG2-CB 4.32Å; I79-F83 CarbonylContact O-C 3.54Å; I79-F83 WeakPolarHBondContact O-CA 3.43Å; I79-F83 WeakPolarHBondContact O-CB 3.49Å; I79-F83 PolarHBondContact O-N 3.05Å; F83-L108 HydrophobicContact CB-CD1 4Å; F83-L108 HydrophobicContact CD1-CD1 4.17Å; F83-L108 WeakPolarHBondContact O-CD1 3.46Å; F83-P113 HydrophobicContact CB-CB 4.14Å; F83-P113 HydrophobicContact CD1-CB 3.72Å; F83-P113 HydrophobicContact CD2-CB 4.04Å; F83-P113 HydrophobicContact CE1-CB 4.07Å; F83-P113 HydrophobicContact CE2-CB 4.34Å; F83-P113 HydrophobicContact CG-CB 3.7Å; F83-P113 HydrophobicContact CZ-CB 4.35Å; F83-T114 WeakPolarHBondContact CE1-O 3.41Å; F83-T114 VanDerWaalsContact CZ-O 3.25Å; F83-T114 WeakPolarHBondContact CZ-O 3.43Å; F83-V115 HydrophobicContact CZ-CG1 4.29Å
84	V	69	Low	63.6	Low	55 Å²	55	91.3 Å²	91.3	33%	0.333	48%	0.484	S	S	.	.	S	Bend	trans	-105.1	117.8	174	-177.1	0	0	0	0	108.4	I79 T86	I79-V84 PolarHBondContact O-N 2.92Å; V84-T86 PolarHBondContact O-N 2.99Å; V84-T86 PolarHBondContact O-OG1 2.86Å
85	P	55.7	Low	60.8	Low	89 Å²	89	97.4 Å²	97.4	58%	0.578	51%	0.511	S	S	*	.			trans	-64.1	104.8	174.5	24.1	-29.4	0	0	0	108.6
86	T	47.4	Very low	58.1	Low	101 Å²	101	106.8 Å²	106.8	62%	0.62	55%	0.552	S	S	*	*			trans	-94	108.1	170.3	4	0	0	0	0	108.3	V84 Q88	V84-T86 PolarHBondContact O-N 2.99Å; V84-T86 PolarHBondContact O-OG1 2.86Å; T86-Q88 PolarHBondContact O-N 3.31Å
87	D	40.6	Very low	55.7	Low	167 Å²	167	110.9 Å²	110.9	89%	0.893	58%	0.575	S	S	*	*			trans	-72.3	46.8	170.5	-83.5	-27.7	0	0	0	111.9
88	Q	42.2	Very low	52.9	Low	168 Å²	168	110.9 Å²	110.9	79%	0.785	59%	0.591	S	S	*	*			trans	-140.7	111	-179.5	-68.3	-172	12	0	0	112.9	T86 C90	T86-Q88 PolarHBondContact O-N 3.31Å; Q88-C90 PolarHBondContact O-N 3.12Å
89	K	28.4	Very low	50.4	Low	214 Å²	214	115.1 Å²	115.1	93%	0.93	61%	0.613	S	S	*	*			trans	-47.6	122.5	160.8	-63.8	170.6	177.7	174.7	0	109.3
90	C	31.8	Very low	47.6	Very low	121 Å²	121	120.9 Å²	120.9	82%	0.818	65%	0.649	S	S	*	*			trans	-143.5	114.6	158.1	-142	0	0	0	0	111.7	Q88	Q88-C90 PolarHBondContact O-N 3.12Å
91	S	36.2	Very low	45.4	Very low	93 Å²	93	126.2 Å²	126.2	65%	0.65	67%	0.666	S	S	*	*			trans	-42.8	138.8	162.6	36.7	0	0	0	0	115.1
92	T	34.2	Very low	43.1	Very low	114 Å²	114	124.9 Å²	124.9	70%	0.699	67%	0.665	S	S	*	*			trans	42.6	104.5	139.7	58	0	0	0	0	117.6
93	D	36.8	Very low	41.3	Very low	138 Å²	138	125.5 Å²	125.5	74%	0.738	67%	0.673	S	S	*	*				169.3	121.3	103.9	-87.2	-26.3	0	0	0	111.4
94	I	40.3	Very low	39.5	Very low	125 Å²	125	130 Å²	130	64%	0.641	70%	0.698	S	S	*	*			trans	66.6	103.1	151	-46.2	162.7	0	0	0	113.7
95	F	36.9	Very low	38.6	Very low	193 Å²	193	132.3 Å²	132.3	85%	0.846	71%	0.705	S	S	*	*				-153.1	140.2	72.2	-87.8	-90.5	0	0	0	111.8	L97	F95-L97 PolarHBondContact O-N 2.92Å
96	F	34.6	Very low	38.2	Very low	198 Å²	198	128.6 Å²	128.6	87%	0.868	68%	0.681	S	S	*	*	S	Bend	trans	-30.2	98.5	-178	-63.9	-95.1	0	0	0	118.3
97	L	39.1	Very low	38.1	Very low	136 Å²	136	127.3 Å²	127.3	71%	0.712	68%	0.676	S	S	*	*			trans	-152.8	125.6	133.2	-94.5	164.2	0	0	0	106.1	F95 I99	F95-L97 PolarHBondContact O-N 2.92Å; L97-I99 PolarHBondContact O-N 2.81Å
98	P	31.2	Very low	38.6	Very low	124 Å²	124	123.2 Å²	123.2	81%	0.805	65%	0.654	S	S	*	*			trans	-78.5	88.6	-174.3	32.2	-31.1	0	0	0	109.2
99	I	37.9	Very low	39	Very low	97 Å²	97	124 Å²	124	50%	0.497	66%	0.657	S	S	.	*			trans	-116.3	66.3	165	-48.5	179.2	0	0	0	108.2	L97 K101 L103	L97-I99 PolarHBondContact O-N 2.81Å; I99-K101 PolarHBondContact O-N 3.48Å; I99-L103 HydrophobicContact CD1-CD1 4.15Å; I99-L103 HydrophobicContact CG2-CD1 3.98Å
100	T	29.4	Very low	40.5	Very low	131 Å²	131	115.2 Å²	115.2	80%	0.804	62%	0.623	S	S	*	*			trans	-77.6	78.9	160.5	55.7	0	0	0	0	108
101	K	40	Very low	42.5	Very low	185 Å²	185	114.6 Å²	114.6	80%	0.804	62%	0.62	S	S	*	*	S	Bend	trans	178.1	97.9	157.9	-98.1	158.2	-170.8	-173.4	0	107.9	I99 L103	I99-K101 PolarHBondContact O-N 3.48Å; K101-L103 PolarHBondContact O-N 2.76Å
102	S	34.8	Very low	44.7	Very low	83 Å²	83	114.7 Å²	114.7	58%	0.58	61%	0.607	S	S	*	*			trans	40	76.2	148.5	175	0	0	0	0	115.2	N104	S102-N104 PolarHBondContact O-N 2.88Å; S102-N104 PolarHBondContact OG-ND2 2.83Å; S102-N104 PolarHBondContact OG-OD1 2.85Å
103	L	43.5	Very low	47.3	Very low	87 Å²	87	109.4 Å²	109.4	46%	0.455	57%	0.574	S	S	.	*			trans	-73.3	64.5	168.6	-145.7	88.5	0	0	0	109.5	Y82 I99 K101 H105	Y82-L103 HydrophobicContact CD1-CD2 3.49Å; Y82-L103 VanDerWaalsContact CD1-CD2 3.49Å; Y82-L103 HydrophobicContact CE1-CD2 3.35Å; I99-L103 HydrophobicContact CD1-CD1 4.15Å; I99-L103 HydrophobicContact CG2-CD1 3.98Å; K101-L103 PolarHBondContact O-N 2.76Å; L103-H105 PolarHBondContact O-N 2.8Å
104	N	40.4	Very low	49.9	Very low	112 Å²	112	103.6 Å²	103.6	60%	0.599	54%	0.544	S	S	*	.			trans	-83.3	104.7	179.4	-76.4	-7.8	0	0	0	108.7	N62 S102	N62-N104 PolarHBondContact ND2-O 2.87Å; N62-N104 PolarHBondContact OD1-O 3.06Å; N62-N104 VanDerWaalsContact OD1-O 3.11Å; S102-N104 PolarHBondContact O-N 2.88Å; S102-N104 PolarHBondContact OG-ND2 2.83Å; S102-N104 PolarHBondContact OG-OD1 2.85Å
105	H	49.5	Very low	52.5	Low	103 Å²	103	97.7 Å²	97.7	48%	0.477	51%	0.513	S	S	.	.			trans	77.2	83.5	146.1	-158.9	-81.2	0	0	0	119.1	N62 L103 S107	N62-H105 PolarHBondContact OD1-O 2.92Å; L103-H105 PolarHBondContact O-N 2.8Å; H105-S107 PolarHBondContact O-N 2.77Å
106	C	48	Very low	55.3	Low	11 Å²	11	91.1 Å²	91.1	7%	0.074	48%	0.484	C	S	.	.			trans	-58	118.9	152.9	-67.7	0	0	0	0	108.4	L60 L108	L60-C106 PolarHBondContact O-SG 2.95Å; C106-L108 PolarHBondContact O-N 2.84Å
107	S	44.6	Very low	58.3	Low	73 Å²	73	81.8 Å²	81.8	51%	0.51	44%	0.442	S	S	.	.			trans	-54	108.3	-170.5	57.8	0	0	0	0	113.1	H105 Q109	H105-S107 PolarHBondContact O-N 2.77Å; S107-Q109 PolarHBondContact O-N 3.42Å
108	L	50.5	Low	61	Low	82 Å²	82	76.2 Å²	76.2	43%	0.429	41%	0.412	S	S	.	.			trans	-71.5	68.4	161.9	-99.5	78.7	0	0	0	109.9	F83 C106 S110	F83-L108 HydrophobicContact CB-CD1 4Å; F83-L108 HydrophobicContact CD1-CD1 4.17Å; F83-L108 WeakPolarHBondContact O-CD1 3.46Å; C106-L108 PolarHBondContact O-N 2.84Å; L108-S110 VanDerWaalsContact C-N 3.31Å
109	Q	51.8	Low	64.1	Low	183 Å²	183	70.4 Å²	70.4	86%	0.855	37%	0.374	S	S	*	.			trans	-87.5	-6.5	165.1	-78.4	-176.4	-3.2	0	0	112	S107	S107-Q109 PolarHBondContact O-N 3.42Å
110	S	58.4	Low	66.9	Low	31 Å²	31	69.7 Å²	69.7	22%	0.217	37%	0.365	C	S	.	.	S	Bend	trans	-117.7	142.1	-179.2	-165.3	0	0	0	0	110.9	K17 L108 Y112	K17-S110 PolarHBondContact NZ-OG 3.39Å; L108-S110 VanDerWaalsContact C-N 3.31Å; S110-Y112 WeakPolarHBondContact CB-O 3.45Å; S110-Y112 PolarHBondContact O-N 3.29Å
111	S	73.8	Confident	70	Confident	108 Å²	108	68.8 Å²	68.8	76%	0.755	35%	0.35	S	S	*	.	S	Bend	trans	-57.4	-12.6	174.2	-52.6	0	0	0	0	113.8
112	Y	82.8	Confident	72.6	Confident	94 Å²	94	65.3 Å²	65.3	37%	0.369	33%	0.333	S	S	.	.	S	Bend	trans	-126.2	142	-179.9	-58.1	-80.7	0	0	0	110.3	N15 Y27 S110 T114	N15-Y112 HydrophobicContact CB-CD1 3.84Å; N15-Y112 HydrophobicContact CB-CE1 4Å; Y27-Y112 HydrophobicContact CD1-CD2 4.25Å; Y27-Y112 HydrophobicContact CD1-CG 4.3Å; Y27-Y112 AromaticContact CE1-CD2 3.62Å; Y27-Y112 HydrophobicContact CE1-CD2 3.62Å; Y27-Y112 HydrophobicContact CE1-CE2 4.06Å; Y27-Y112 HydrophobicContact CE1-CG 4.03Å; S110-Y112 WeakPolarHBondContact CB-O 3.45Å; S110-Y112 PolarHBondContact O-N 3.29Å; Y112-T114 PolarHBondContact O-N 3.37Å; Y112-T114 PolarHBondContact O-OG1 3.37Å; Y112-T114 VanDerWaalsContact O-OG1 3.12Å
113	P	88.5	Confident	75.4	Confident	3 Å²	3	64.1 Å²	64.1	2%	0.019	32%	0.319	C	S	.	.			trans	-58.5	132.4	170.3	25.4	-33	0	0	0	109	I13 N15 V16 K17 I79 F83	I13-P113 HydrophobicContact CG2-CG 3.74Å; N15-P113 WeakPolarHBondContact O-CD 3.32Å; V16-P113 WeakPolarHBondContact CG2-O 3.48Å; K17-P113 PolarHBondContact N-O 2.7Å; I79-P113 HydrophobicContact CD1-CB 3.24Å; I79-P113 HydrophobicContact CD1-CG 3.42Å; I79-P113 VanDerWaalsContact CD1-CG 3.42Å; I79-P113 HydrophobicContact CG1-CB 4.23Å; I79-P113 HydrophobicContact CG1-CG 3.96Å; I79-P113 HydrophobicContact CG2-CB 4.43Å; I79-P113 HydrophobicContact CG2-CG 4.26Å; F83-P113 HydrophobicContact CB-CB 4.14Å; F83-P113 HydrophobicContact CD1-CB 3.72Å; F83-P113 HydrophobicContact CD2-CB 4.04Å; F83-P113 HydrophobicContact CE1-CB 4.07Å; F83-P113 HydrophobicContact CE2-CB 4.34Å; F83-P113 HydrophobicContact CG-CB 3.7Å; F83-P113 HydrophobicContact CZ-CB 4.35Å
114	T	91.4	Very high	77.8	Confident	17 Å²	17	63.4 Å²	63.4	10%	0.104	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122	-170.5	-57.1	0	0	0	0	110.2	K17 V19 F83 Y112 Y116	K17-T114 VanDerWaalsContact CE-CG2 3.49Å; K17-T114 WeakPolarHBondContact CE-OG1 3.29Å; K17-T114 HydrophobicContact CG-CG2 4.49Å; K17-T114 CarbonylContact O-C 3.57Å; K17-T114 WeakPolarHBondContact O-CA 3.49Å; V19-T114 HydrophobicContact CG2-CG2 3.73Å; F83-T114 WeakPolarHBondContact CE1-O 3.41Å; F83-T114 VanDerWaalsContact CZ-O 3.25Å; F83-T114 WeakPolarHBondContact CZ-O 3.43Å; Y112-T114 PolarHBondContact O-N 3.37Å; Y112-T114 PolarHBondContact O-OG1 3.37Å; Y112-T114 VanDerWaalsContact O-OG1 3.12Å; T114-Y116 HydrophobicContact CG2-CD2 4.39Å; T114-Y116 HydrophobicContact CG2-CE2 3.72Å
115	V	94.9	Very high	80.2	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	160.5	169.8	-56.9	0	0	0	0	109.4	V16 K17 V18 V19 L57 A58 I69 M75 F83	V16-V115 HydrophobicContact CG2-CB 4.48Å; V16-V115 HydrophobicContact CG2-CG1 4.08Å; V16-V115 HydrophobicContact CG2-CG2 3.75Å; K17-V115 PolarHBondContact O-N 3.22Å; V18-V115 CarbonylContact C-O 3.55Å; V18-V115 WeakPolarHBondContact CA-O 3.47Å; V18-V115 HydrophobicContact CB-CG2 4.32Å; V18-V115 HydrophobicContact CG1-CG2 4.46Å; V18-V115 HydrophobicContact CG2-CG2 3.7Å; V19-V115 PolarHBondContact N-O 3.18Å; L57-V115 HydrophobicContact CD2-CG2 4.33Å; A58-V115 CarbonylContact O-C 3.57Å; A58-V115 WeakPolarHBondContact O-CA 3.47Å; I69-V115 HydrophobicContact CD1-CB 4.29Å; I69-V115 HydrophobicContact CD1-CG1 3.68Å; M75-V115 HydrophobicContact CE-CG1 4.03Å; F83-V115 HydrophobicContact CZ-CG1 4.29Å
116	Y	96	Very high	82.2	Confident	56 Å²	56	65.2 Å²	65.2	22%	0.22	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.7	-172.8	-64.2	-101.7	0	0	0	109.2	V19 L57 A58 L60 W66 T114 R118	V19-Y116 HydrophobicContact CB-CD1 3.62Å; V19-Y116 HydrophobicContact CB-CE1 3.84Å; V19-Y116 HydrophobicContact CB-CG 4.34Å; V19-Y116 HydrophobicContact CG1-CD1 3.98Å; V19-Y116 HydrophobicContact CG1-CE1 4.06Å; V19-Y116 HydrophobicContact CG2-CD1 4.2Å; V19-Y116 HydrophobicContact CG2-CE1 3.96Å; V19-Y116 WeakPolarHBondContact O-CA 3.49Å; L57-Y116 WeakPolarHBondContact CA-O 3.39Å; A58-Y116 PolarHBondContact N-O 2.89Å; A58-Y116 PolarHBondContact O-N 3.36Å; L60-Y116 HydrophobicContact CB-CE2 4.43Å; W66-Y116 HydrophobicContact CE3-CD2 4.39Å; W66-Y116 HydrophobicContact CE3-CG 4.38Å; W66-Y116 AromaticContact CH2-CD1 3.88Å; W66-Y116 HydrophobicContact CH2-CD1 3.88Å; W66-Y116 HydrophobicContact CH2-CD2 4.1Å; W66-Y116 HydrophobicContact CH2-CE1 4.13Å; W66-Y116 HydrophobicContact CH2-CE2 4.32Å; W66-Y116 AromaticContact CH2-CG 3.86Å; W66-Y116 HydrophobicContact CH2-CG 3.86Å; W66-Y116 AromaticContact CZ3-CD1 3.93Å; W66-Y116 HydrophobicContact CZ3-CD1 3.93Å; W66-Y116 AromaticContact CZ3-CD2 3.41Å; W66-Y116 HydrophobicContact CZ3-CD2 3.41Å; W66-Y116 VanDerWaalsContact CZ3-CD2 3.41Å; W66-Y116 HydrophobicContact CZ3-CE1 4.4Å; W66-Y116 AromaticContact CZ3-CE2 3.92Å; W66-Y116 HydrophobicContact CZ3-CE2 3.92Å; W66-Y116 AromaticContact CZ3-CG 3.4Å; W66-Y116 HydrophobicContact CZ3-CG 3.4Å; W66-Y116 VanDerWaalsContact CZ3-CG 3.4Å; T114-Y116 HydrophobicContact CG2-CD2 4.39Å; T114-Y116 HydrophobicContact CG2-CE2 3.72Å; Y116-R118 PolarHBondContact O-N 2.77Å
117	F	97.3	Very high	84.4	Confident	1 Å²	1	67.6 Å²	67.6	0%	0.004	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	121.1	168.9	-177.8	-92.3	0	0	0	108.7	V18 V19 L20 L21 F40 V43 M47 L49 F55 L57 I136	V18-F117 HydrophobicContact CG1-CB 4.35Å; V19-F117 PolarHBondContact O-N 2.87Å; L20-F117 HydrophobicContact CD2-CB 3.89Å; L20-F117 HydrophobicContact CD2-CG 4.36Å; L21-F117 HydrophobicContact CD1-CD1 4.05Å; L21-F117 HydrophobicContact CD1-CE1 4.22Å; L21-F117 HydrophobicContact CG-CD1 4.26Å; L21-F117 WeakPolarHBondContact CG-O 3.02Å; F40-F117 HydrophobicContact CD2-CD2 4.31Å; F40-F117 HydrophobicContact CD2-CE2 4.1Å; F40-F117 HydrophobicContact CE2-CD2 4.16Å; F40-F117 AromaticContact CE2-CE2 3.59Å; F40-F117 HydrophobicContact CE2-CE2 3.59Å; F40-F117 HydrophobicContact CZ-CE2 4.49Å; V43-F117 HydrophobicContact CG1-CB 4.42Å; V43-F117 HydrophobicContact CG1-CD2 3.54Å; V43-F117 HydrophobicContact CG1-CE2 3.95Å; V43-F117 HydrophobicContact CG1-CG 4.07Å; M47-F117 HydrophobicContact CE-CE1 4.34Å; M47-F117 HydrophobicContact SD-CE1 4.44Å; L49-F117 HydrophobicContact CD1-CE1 4.29Å; L49-F117 HydrophobicContact CD1-CZ 3.77Å; F55-F117 HydrophobicContact CB-CE1 4.17Å; F55-F117 HydrophobicContact CB-CE2 3.77Å; F55-F117 HydrophobicContact CB-CZ 3.47Å; F55-F117 VanDerWaalsContact CB-CZ 3.47Å; F55-F117 AromaticContact CD1-CE1 3.54Å; F55-F117 HydrophobicContact CD1-CE1 3.54Å; F55-F117 AromaticContact CD1-CZ 3.62Å; F55-F117 HydrophobicContact CD1-CZ 3.62Å; F55-F117 HydrophobicContact CD2-CE1 4.48Å; F55-F117 AromaticContact CD2-CZ 3.83Å; F55-F117 HydrophobicContact CD2-CZ 3.83Å; F55-F117 AromaticContact CE1-CE1 3.98Å; F55-F117 HydrophobicContact CE1-CE1 3.98Å; F55-F117 HydrophobicContact CE1-CZ 4.28Å; F55-F117 HydrophobicContact CE2-CZ 4.44Å; F55-F117 AromaticContact CG-CE1 3.82Å; F55-F117 HydrophobicContact CG-CE1 3.82Å; F55-F117 HydrophobicContact CG-CE2 4.18Å; F55-F117 AromaticContact CG-CZ 3.36Å; F55-F117 HydrophobicContact CG-CZ 3.36Å; L57-F117 HydrophobicContact CD2-CB 4.37Å; L57-F117 HydrophobicContact CD2-CD2 4.41Å; F117-I136 HydrophobicContact CE1-CG2 3.95Å
118	R	96.7	Very high	86.7	Confident	20 Å²	20	64.3 Å²	64.3	8%	0.075	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	157.3	-171.9	-66.4	-67.3	-173	170.9	-3.7	111.2	F55 G56 A58 W66 F68 Y116 R120	F55-R118 CarbonylContact C-O 3.51Å; F55-R118 WeakPolarHBondContact CA-O 3.26Å; G56-R118 PolarHBondContact N-O 3.49Å; G56-R118 PolarHBondContact O-N 3.41Å; A58-R118 HydrophobicContact CB-CB 4.46Å; A58-R118 HydrophobicContact CB-CG 4.22Å; W66-R118 HydrophobicContact CD2-CG 4.38Å; W66-R118 HydrophobicContact CE3-CG 4.39Å; F68-R118 HydrophobicContact CE1-CB 3.92Å; F68-R118 HydrophobicContact CZ-CB 3.85Å; Y116-R118 PolarHBondContact O-N 2.77Å; R118-R120 PolarHBondContact O-N 3.04Å
119	V	96.2	Very high	88.8	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.012	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	118.7	166.2	176.9	0	0	0	0	108.5	L21 F55 F68 F121 Y122 Y137 Q140	L21-V119 HydrophobicContact CD1-CG2 4.48Å; F55-V119 HydrophobicContact CD1-CG2 3.95Å; F55-V119 HydrophobicContact CE1-CG2 3.76Å; F68-V119 VanDerWaalsContact CZ-O 3.31Å; F68-V119 WeakPolarHBondContact CZ-O 3.46Å; V119-F121 WeakPolarHBondContact CG1-O 3.49Å; V119-Y122 HydrophobicContact CB-CE1 4.21Å; V119-Y122 HydrophobicContact CG1-CD1 4.02Å; V119-Y122 HydrophobicContact CG1-CD2 4.4Å; V119-Y122 HydrophobicContact CG1-CE1 3.92Å; V119-Y122 HydrophobicContact CG1-CE2 4.3Å; V119-Y122 HydrophobicContact CG1-CG 4.25Å; V119-Y137 HydrophobicContact CG1-CD2 3.89Å; V119-Y137 HydrophobicContact CG1-CE2 3.53Å; V119-Y137 HydrophobicContact CG2-CD2 3.75Å; V119-Y137 HydrophobicContact CG2-CE2 4.23Å; V119-Q140 HydrophobicContact CB-CB 4.37Å; V119-Q140 HydrophobicContact CB-CG 3.91Å; V119-Q140 HydrophobicContact CG2-CB 3.63Å; V119-Q140 HydrophobicContact CG2-CG 3.74Å
120	R	95.4	Very high	90.7	Very high	82 Å²	82	60 Å²	60	31%	0.309	30%	0.302	S	S	.	.			trans	-85.6	-42.2	177.1	-175.2	173.7	173.5	150.9	-2.9	111.8	I54 F68 R118	I54-R120 PolarHBondContact O-N 3.44Å; F68-R120 HydrophobicContact CD1-CB 3.82Å; F68-R120 HydrophobicContact CD1-CG 3.8Å; F68-R120 HydrophobicContact CD2-CG 4.3Å; F68-R120 HydrophobicContact CE1-CB 3.51Å; F68-R120 HydrophobicContact CE1-CG 3.96Å; F68-R120 HydrophobicContact CE2-CG 4.45Å; F68-R120 HydrophobicContact CG-CB 4.46Å; F68-R120 HydrophobicContact CG-CG 3.98Å; F68-R120 VanDerWaalsContact CZ-CA 3.44Å; F68-R120 HydrophobicContact CZ-CB 3.92Å; F68-R120 HydrophobicContact CZ-CG 4.31Å; R118-R120 PolarHBondContact O-N 3.04Å
121	F	94.9	Very high	92.3	Very high	111 Å²	111	68.7 Å²	68.7	49%	0.487	33%	0.33	S	S	.	.	S	Bend	trans	-121.4	120	-177.7	-56.6	-70.9	0	0	0	110.4	D53 I54 V119	D53-F121 WeakPolarHBondContact O-CD2 3.43Å; I54-F121 PolarHBondContact O-N 3.07Å; I54-F121 VanDerWaalsContact O-N 3.09Å; V119-F121 WeakPolarHBondContact CG1-O 3.49Å
122	Y	94.3	Very high	93.2	Very high	113 Å²	113	65.5 Å²	65.5	44%	0.443	31%	0.31	S	S	.	.			trans	-87.7	117	177.1	-67.2	-89.9	0	0	0	109.6	V119 Y137 Q140 L141 N144	V119-Y122 HydrophobicContact CB-CE1 4.21Å; V119-Y122 HydrophobicContact CG1-CD1 4.02Å; V119-Y122 HydrophobicContact CG1-CD2 4.4Å; V119-Y122 HydrophobicContact CG1-CE1 3.92Å; V119-Y122 HydrophobicContact CG1-CE2 4.3Å; V119-Y122 HydrophobicContact CG1-CG 4.25Å; Y122-Y137 WeakPolarHBondContact CA-OH 3.41Å; Y122-Y137 WeakPolarHBondContact CB-OH 3.46Å; Y122-Y137 HydrophobicContact CD1-CE2 4.23Å; Y122-Y137 AromaticContact CD1-CZ 3.96Å; Y122-Y137 WeakPolarHBondContact CD1-OH 3.5Å; Y122-Q140 HydrophobicContact CE1-CG 4.26Å; Y122-Q140 WeakPolarHBondContact OH-CG 3.42Å; Y122-L141 HydrophobicContact CD1-CD2 3.91Å; Y122-L141 HydrophobicContact CE1-CD2 3.73Å; Y122-N144 PolarHBondContact OH-ND2 2.99Å
123	I	94.9	Very high	93.7	Very high	57 Å²	57	61 Å²	61	29%	0.292	29%	0.292	S	S	.	.			trans	-119.1	158.5	177.1	62.6	175	0	0	0	110.1	I54 I125 C127 I128 Y137	I54-I123 HydrophobicContact CG2-CD1 3.75Å; I54-I123 HydrophobicContact CG2-CG1 4.34Å; I123-I125 PolarHBondContact O-N 3.29Å; I123-C127 HydrophobicContact CD1-CB 3.91Å; I123-C127 HydrophobicContact CG1-CB 4.42Å; I123-I128 HydrophobicContact CD1-CG1 3.84Å; I123-I128 HydrophobicContact CG1-CD1 4.33Å; I123-I128 HydrophobicContact CG1-CG1 4.07Å; I123-Y137 PolarHBondContact N-OH 3.24Å; I123-Y137 PolarHBondContact O-OH 2.87Å
124	P	94	Very high	94	Very high	72 Å²	72	64 Å²	64	47%	0.468	31%	0.306	S	S	.	.			trans	-56.8	138.2	172.3	-24.4	34.9	0	0	0	111.5	H126 C127	P124-H126 WeakPolarHBondContact CB-CE1 3.4Å; P124-H126 PolarHBondContact O-N 2.97Å; P124-H126 VanDerWaalsContact O-N 3.1Å; P124-C127 VanDerWaalsContact O-CB 3.29Å; P124-C127 WeakPolarHBondContact O-CB 3.3Å; P124-C127 PolarHBondContact O-N 3.14Å
125	I	89.7	Confident	94.1	Very high	100 Å²	100	67.2 Å²	67.2	51%	0.513	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-58.9	-29.7	-173.8	-165.6	168.8	0	0	0	113.4	I123 C127 I128 Q134	I123-I125 PolarHBondContact O-N 3.29Å; I125-C127 PolarHBondContact O-N 3.09Å; I125-I128 PolarHBondContact O-N 3.24Å; I125-I128 VanDerWaalsContact O-N 3.1Å; I125-Q134 HydrophobicContact CG1-CG 4.44Å
126	H	91	Very high	94	Very high	153 Å²	153	68 Å²	68	71%	0.708	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-69.9	-9.8	177.7	61.3	-101.6	0	0	0	113.7	P124	P124-H126 WeakPolarHBondContact CB-CE1 3.4Å; P124-H126 PolarHBondContact O-N 2.97Å; P124-H126 VanDerWaalsContact O-N 3.1Å
127	C	94.3	Very high	94	Very high	61 Å²	61	65.8 Å²	65.8	41%	0.412	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-86.2	-10.6	172.5	-60.1	0	0	0	0	112.9	I123 P124 I125	I123-C127 HydrophobicContact CD1-CB 3.91Å; I123-C127 HydrophobicContact CG1-CB 4.42Å; P124-C127 VanDerWaalsContact O-CB 3.29Å; P124-C127 WeakPolarHBondContact O-CB 3.3Å; P124-C127 PolarHBondContact O-N 3.14Å; I125-C127 PolarHBondContact O-N 3.09Å
128	I	94.4	Very high	93.8	Very high	4 Å²	4	68 Å²	68	2%	0.021	32%	0.324	C	S	.	.			trans	-97.5	119.5	179	-56.2	173.3	0	0	0	107.8	E51 I54 I123 I125 T133 Q134 Y137	E51-I128 VanDerWaalsContact OE2-CG2 3.28Å; E51-I128 WeakPolarHBondContact OE2-CG2 3.42Å; I54-I128 HydrophobicContact CD1-CD1 4.15Å; I54-I128 HydrophobicContact CD1-CG1 4.5Å; I123-I128 HydrophobicContact CD1-CG1 3.84Å; I123-I128 HydrophobicContact CG1-CD1 4.33Å; I123-I128 HydrophobicContact CG1-CG1 4.07Å; I125-I128 PolarHBondContact O-N 3.24Å; I125-I128 VanDerWaalsContact O-N 3.1Å; I128-T133 HydrophobicContact CG2-CG2 3.37Å; I128-Q134 HydrophobicContact CB-CG 3.9Å; I128-Q134 HydrophobicContact CG2-CB 4.46Å; I128-Q134 HydrophobicContact CG2-CG 3.59Å; I128-Q134 PolarHBondContact O-NE2 3.47Å; I128-Y137 HydrophobicContact CD1-CD1 3.94Å; I128-Y137 HydrophobicContact CD1-CD2 3.81Å; I128-Y137 HydrophobicContact CD1-CE1 4.33Å; I128-Y137 HydrophobicContact CD1-CE2 4.24Å; I128-Y137 HydrophobicContact CD1-CG 3.65Å
129	N	93.6	Very high	93.7	Very high	133 Å²	133	68.2 Å²	68.2	71%	0.711	33%	0.326	S	S	*	.			trans	-90.4	-34.1	-175	-59.4	-73.1	0	0	0	112.3	E51	E51-N129 PolarHBondContact OE1-N 3.22Å; E51-N129 PolarHBondContact OE1-ND2 3.16Å; E51-N129 PolarHBondContact OE2-N 2.87Å
130	E	92.4	Very high	93.6	Very high	42 Å²	42	68.2 Å²	68.2	20%	0.196	33%	0.326	C	S	.	.			trans	-83.5	123.1	-172.9	-173.4	-177.5	-178.8	0	0	111.1	Q50 E51 A132 T133 Q134	Q50-E130 WeakPolarHBondContact CB-OE2 3.2Å; Q50-E130 PolarHBondContact N-OE2 2.95Å; E51-E130 VanDerWaalsContact OE2-CB 3.27Å; E51-E130 WeakPolarHBondContact OE2-CB 3.25Å; E51-E130 PolarHBondContact OE2-N 2.87Å; E130-A132 HydrophobicContact CG-CB 4.06Å; E130-A132 PolarHBondContact O-N 3.2Å; E130-T133 WeakPolarHBondContact O-CB 3.43Å; E130-T133 PolarHBondContact O-N 2.95Å; E130-T133 PolarHBondContact OE2-OG1 2.87Å; E130-Q134 WeakPolarHBondContact O-CG 3.37Å; E130-Q134 PolarHBondContact O-N 3.15Å
131	R	92	Very high	93.6	Very high	214 Å²	214	67.8 Å²	67.8	81%	0.808	33%	0.329	S	S	*	.	H	α-helix	trans	-59	-35.1	178.4	-66.6	-162.8	-135.9	166.5	4	113	Q134 H135	R131-Q134 PolarHBondContact O-N 3.18Å; R131-H135 WeakPolarHBondContact O-CB 3.14Å; R131-H135 PolarHBondContact O-N 2.89Å
132	A	91.8	Very high	93.4	Very high	40 Å²	40	64 Å²	64	33%	0.331	31%	0.312	S	S	.	.	H	α-helix	trans	-61.9	-48	175.3	0	0	0	0	0	110.4	L49 E130 Q134 H135 I136	L49-A132 HydrophobicContact CD2-CB 4.31Å; E130-A132 HydrophobicContact CG-CB 4.06Å; E130-A132 PolarHBondContact O-N 3.2Å; A132-Q134 PolarHBondContact O-N 3.28Å; A132-H135 PolarHBondContact O-N 3.41Å; A132-I136 WeakPolarHBondContact O-CG1 3.44Å; A132-I136 PolarHBondContact O-N 3.38Å
133	T	94.3	Very high	93.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.5	-45.5	175.4	-57.9	0	0	0	0	112	E51 I54 F55 I128 E130 H135 I136 Y137	E51-T133 HydrophobicContact CB-CG2 3.97Å; I54-T133 HydrophobicContact CD1-CG2 3.47Å; I54-T133 VanDerWaalsContact CD1-CG2 3.47Å; F55-T133 HydrophobicContact CE2-CG2 3.8Å; F55-T133 HydrophobicContact CZ-CG2 3.85Å; I128-T133 HydrophobicContact CG2-CG2 3.37Å; E130-T133 WeakPolarHBondContact O-CB 3.43Å; E130-T133 PolarHBondContact O-N 2.95Å; E130-T133 PolarHBondContact OE2-OG1 2.87Å; T133-H135 VanDerWaalsContact C-N 3.31Å; T133-H135 PolarHBondContact O-N 3.46Å; T133-I136 PolarHBondContact O-N 3.49Å; T133-Y137 VanDerWaalsContact O-CB 3.26Å; T133-Y137 WeakPolarHBondContact O-CB 3.33Å; T133-Y137 PolarHBondContact O-N 3.48Å
134	Q	94.3	Very high	93.1	Very high	65 Å²	65	58.9 Å²	58.9	30%	0.304	29%	0.291	S	S	.	.	H	α-helix	trans	-57.9	-42.9	175.8	-69.9	177.5	-0.5	0	0	112	I125 I128 E130 R131 A132 Y137 Y138	I125-Q134 HydrophobicContact CG1-CG 4.44Å; I128-Q134 HydrophobicContact CB-CG 3.9Å; I128-Q134 HydrophobicContact CG2-CB 4.46Å; I128-Q134 HydrophobicContact CG2-CG 3.59Å; I128-Q134 PolarHBondContact O-NE2 3.47Å; E130-Q134 WeakPolarHBondContact O-CG 3.37Å; E130-Q134 PolarHBondContact O-N 3.15Å; R131-Q134 PolarHBondContact O-N 3.18Å; A132-Q134 PolarHBondContact O-N 3.28Å; Q134-Y137 PolarHBondContact O-N 2.97Å; Q134-Y138 WeakPolarHBondContact O-CB 3.4Å; Q134-Y138 PolarHBondContact O-N 3.39Å
135	H	92.9	Very high	92.8	Very high	85 Å²	85	56.3 Å²	56.3	39%	0.394	27%	0.272	S	S	.	.	H	α-helix	trans	-65.1	-46.2	178.4	179.9	70.1	0	0	0	111.7	R131 A132 T133 Y137 Y138 L139	R131-H135 WeakPolarHBondContact O-CB 3.14Å; R131-H135 PolarHBondContact O-N 2.89Å; A132-H135 PolarHBondContact O-N 3.41Å; T133-H135 VanDerWaalsContact C-N 3.31Å; T133-H135 PolarHBondContact O-N 3.46Å; H135-Y137 VanDerWaalsContact C-N 3.3Å; H135-Y137 PolarHBondContact O-N 3.47Å; H135-Y138 WeakPolarHBondContact O-CB 3.31Å; H135-Y138 PolarHBondContact O-N 3.49Å; H135-L139 WeakPolarHBondContact O-CG 3.05Å; H135-L139 PolarHBondContact O-N 3.04Å
136	I	93.6	Very high	92.7	Very high	17 Å²	17	53.6 Å²	53.6	9%	0.087	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-39	176.8	-62.9	-54.7	0	0	0	111.2	L21 M47 L49 F55 F117 A132 T133 L139 Q140	L21-I136 HydrophobicContact CB-CG2 4.36Å; L21-I136 HydrophobicContact CD1-CG2 3.48Å; L21-I136 VanDerWaalsContact CD1-CG2 3.48Å; L21-I136 WeakPolarHBondContact CD1-O 3.28Å; L21-I136 HydrophobicContact CG-CG2 4.48Å; M47-I136 HydrophobicContact CE-CB 4.5Å; M47-I136 HydrophobicContact CE-CD1 3.34Å; M47-I136 HydrophobicContact CE-CG1 3.62Å; M47-I136 HydrophobicContact CE-CG2 4Å; L49-I136 HydrophobicContact CD2-CG1 4.23Å; F55-I136 HydrophobicContact CE1-CB 4.47Å; F55-I136 HydrophobicContact CE1-CG2 3.69Å; F55-I136 HydrophobicContact CZ-CB 4.25Å; F55-I136 HydrophobicContact CZ-CG2 3.88Å; F117-I136 HydrophobicContact CE1-CG2 3.95Å; A132-I136 WeakPolarHBondContact O-CG1 3.44Å; A132-I136 PolarHBondContact O-N 3.38Å; T133-I136 PolarHBondContact O-N 3.49Å; I136-L139 HydrophobicContact CD1-CD1 4Å; I136-L139 WeakPolarHBondContact O-CB 3.48Å; I136-L139 PolarHBondContact O-N 3.43Å; I136-Q140 PolarHBondContact O-N 3.26Å
137	Y	95.1	Very high	92.5	Very high	10 Å²	10	51.2 Å²	51.2	4%	0.039	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-44.8	174.1	-168.2	-97	0	0	0	111.9	I54 V119 Y122 I123 I128 T133 Q134 H135 L139 Q140 L141	I54-Y137 HydrophobicContact CD1-CD2 4.15Å; V119-Y137 HydrophobicContact CG1-CD2 3.89Å; V119-Y137 HydrophobicContact CG1-CE2 3.53Å; V119-Y137 HydrophobicContact CG2-CD2 3.75Å; V119-Y137 HydrophobicContact CG2-CE2 4.23Å; Y122-Y137 WeakPolarHBondContact CA-OH 3.41Å; Y122-Y137 WeakPolarHBondContact CB-OH 3.46Å; Y122-Y137 HydrophobicContact CD1-CE2 4.23Å; Y122-Y137 AromaticContact CD1-CZ 3.96Å; Y122-Y137 WeakPolarHBondContact CD1-OH 3.5Å; I123-Y137 PolarHBondContact N-OH 3.24Å; I123-Y137 PolarHBondContact O-OH 2.87Å; I128-Y137 HydrophobicContact CD1-CD1 3.94Å; I128-Y137 HydrophobicContact CD1-CD2 3.81Å; I128-Y137 HydrophobicContact CD1-CE1 4.33Å; I128-Y137 HydrophobicContact CD1-CE2 4.24Å; I128-Y137 HydrophobicContact CD1-CG 3.65Å; T133-Y137 VanDerWaalsContact O-CB 3.26Å; T133-Y137 WeakPolarHBondContact O-CB 3.33Å; T133-Y137 PolarHBondContact O-N 3.48Å; Q134-Y137 PolarHBondContact O-N 2.97Å; H135-Y137 VanDerWaalsContact C-N 3.3Å; H135-Y137 PolarHBondContact O-N 3.47Å; Y137-L139 VanDerWaalsContact C-N 3.34Å; Y137-L139 PolarHBondContact O-N 2.85Å; Y137-Q140 PolarHBondContact O-N 3.24Å; Y137-L141 HydrophobicContact CD1-CD1 3.86Å; Y137-L141 HydrophobicContact CD1-CG 4.32Å; Y137-L141 HydrophobicContact CE1-CD1 3.66Å; Y137-L141 HydrophobicContact CE1-CG 4.19Å; Y137-L141 PolarHBondContact O-N 2.82Å; Y137-L141 VanDerWaalsContact O-N 3.14Å
138	Y	94.1	Very high	92.1	Very high	48 Å²	48	53.4 Å²	53.4	19%	0.188	25%	0.253	C	S	.	.	H	α-helix	trans	-55	-46.7	171.6	155.5	-100.2	0	0	0	111.8	Q134 H135 Q140 L141 R142 A164 A167 E168	Q134-Y138 WeakPolarHBondContact O-CB 3.4Å; Q134-Y138 PolarHBondContact O-N 3.39Å; H135-Y138 WeakPolarHBondContact O-CB 3.31Å; H135-Y138 PolarHBondContact O-N 3.49Å; Y138-Q140 VanDerWaalsContact C-N 3.26Å; Y138-Q140 PolarHBondContact O-N 3.26Å; Y138-L141 PolarHBondContact O-N 2.83Å; Y138-L141 VanDerWaalsContact O-N 3.08Å; Y138-R142 HydrophobicContact CD2-CB 4.48Å; Y138-R142 HydrophobicContact CE2-CB 4Å; Y138-R142 HydrophobicContact CE2-CG 4.3Å; Y138-R142 VanDerWaalsContact O-CB 3.31Å; Y138-R142 WeakPolarHBondContact O-CB 3.31Å; Y138-R142 PolarHBondContact O-N 3.08Å; Y138-A164 VanDerWaalsContact OH-CA 3.26Å; Y138-A164 WeakPolarHBondContact OH-CA 3.49Å; Y138-A164 WeakPolarHBondContact OH-CB 3.07Å; Y138-A167 HydrophobicContact CE1-CB 4.13Å; Y138-E168 PolarHBondContact OH-OE1 2.95Å
139	L	94.3	Very high	91.7	Very high	24 Å²	24	57.3 Å²	57.3	13%	0.126	27%	0.271	C	S	.	.	H	α-helix	trans	-58.1	-38.7	-179.9	-68	177.6	0	0	0	112.3	L21 N22 H135 I136 Y137 K143	L21-L139 HydrophobicContact CB-CB 4.06Å; L21-L139 HydrophobicContact CB-CD1 4.42Å; N22-L139 HydrophobicContact CB-CD1 4.11Å; H135-L139 WeakPolarHBondContact O-CG 3.05Å; H135-L139 PolarHBondContact O-N 3.04Å; I136-L139 HydrophobicContact CD1-CD1 4Å; I136-L139 WeakPolarHBondContact O-CB 3.48Å; I136-L139 PolarHBondContact O-N 3.43Å; Y137-L139 VanDerWaalsContact C-N 3.34Å; Y137-L139 PolarHBondContact O-N 2.85Å; L139-K143 WeakPolarHBondContact O-CB 3.37Å; L139-K143 WeakPolarHBondContact O-CG 3.43Å; L139-K143 PolarHBondContact O-N 3.26Å
140	Q	94.9	Very high	91.3	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-64.9	-48.9	174	177.3	82.6	66.4	0	0	111.5	L21 V119 Y122 I136 Y137 Y138 R142 K143 N144	L21-Q140 HydrophobicContact CD1-CB 3.99Å; L21-Q140 HydrophobicContact CD2-CB 3.85Å; L21-Q140 HydrophobicContact CD2-CG 4.4Å; V119-Q140 HydrophobicContact CB-CB 4.37Å; V119-Q140 HydrophobicContact CB-CG 3.91Å; V119-Q140 HydrophobicContact CG2-CB 3.63Å; V119-Q140 HydrophobicContact CG2-CG 3.74Å; Y122-Q140 HydrophobicContact CE1-CG 4.26Å; Y122-Q140 WeakPolarHBondContact OH-CG 3.42Å; I136-Q140 PolarHBondContact O-N 3.26Å; Y137-Q140 PolarHBondContact O-N 3.24Å; Y138-Q140 VanDerWaalsContact C-N 3.26Å; Y138-Q140 PolarHBondContact O-N 3.26Å; Q140-R142 VanDerWaalsContact C-N 3.3Å; Q140-R142 PolarHBondContact O-N 2.7Å; Q140-K143 WeakPolarHBondContact O-CB 3.32Å; Q140-K143 PolarHBondContact O-N 3.43Å; Q140-N144 PolarHBondContact NE2-OD1 3.46Å; Q140-N144 WeakPolarHBondContact O-CB 3.41Å; Q140-N144 PolarHBondContact O-N 2.89Å; Q140-N144 PolarHBondContact O-OD1 2.74Å
141	L	93.7	Very high	90.7	Very high	74 Å²	74	61.7 Å²	61.7	39%	0.387	29%	0.286	S	S	.	.	H	α-helix	trans	-60.4	-42.9	-179.7	-67.6	179.2	0	0	0	111.4	Y122 Y137 Y138 K143 N144 H145	Y122-L141 HydrophobicContact CD1-CD2 3.91Å; Y122-L141 HydrophobicContact CE1-CD2 3.73Å; Y137-L141 HydrophobicContact CD1-CD1 3.86Å; Y137-L141 HydrophobicContact CD1-CG 4.32Å; Y137-L141 HydrophobicContact CE1-CD1 3.66Å; Y137-L141 HydrophobicContact CE1-CG 4.19Å; Y137-L141 PolarHBondContact O-N 2.82Å; Y137-L141 VanDerWaalsContact O-N 3.14Å; Y138-L141 PolarHBondContact O-N 2.83Å; Y138-L141 VanDerWaalsContact O-N 3.08Å; L141-K143 PolarHBondContact O-N 3.24Å; L141-N144 PolarHBondContact O-N 2.87Å; L141-H145 WeakPolarHBondContact O-CB 3.46Å; L141-H145 PolarHBondContact O-N 3Å
142	R	91.5	Very high	90.4	Very high	31 Å²	31	53.2 Å²	53.2	12%	0.117	26%	0.26	C	S	.	.	H	α-helix	trans	-59.9	-45.6	176.7	-175	66.7	-179.3	95.4	39.3	111.9	Y138 Q140 V146 A164 L189 Y190	Y138-R142 HydrophobicContact CD2-CB 4.48Å; Y138-R142 HydrophobicContact CE2-CB 4Å; Y138-R142 HydrophobicContact CE2-CG 4.3Å; Y138-R142 VanDerWaalsContact O-CB 3.31Å; Y138-R142 WeakPolarHBondContact O-CB 3.31Å; Y138-R142 PolarHBondContact O-N 3.08Å; Q140-R142 VanDerWaalsContact C-N 3.3Å; Q140-R142 PolarHBondContact O-N 2.7Å; R142-V146 PolarHBondContact O-N 2.94Å; R142-A164 VanDerWaalsContact NE-CB 3.29Å; R142-L189 PolarHBondContact NH2-O 3.22Å; R142-Y190 VanDerWaalsContact CZ-CD1 3.48Å; R142-Y190 PolarHBondContact NH1-O 3.14Å; R142-Y190 VanDerWaalsContact NH2-CA 3.27Å
143	K	91.1	Very high	90.2	Very high	48 Å²	48	55.2 Å²	55.2	21%	0.209	27%	0.265	C	S	.	.	H	α-helix	trans	-61.2	-47.2	173.7	-81.1	177.5	162.5	-177.6	0	112	L20 L21 N23 L139 Q140 L141 H145 V146 L147	L20-K143 PolarHBondContact O-NZ 3.27Å; L21-K143 VanDerWaalsContact C-NZ 3.33Å; L21-K143 HydrophobicContact CD2-CD 4.35Å; L21-K143 WeakPolarHBondContact O-CE 3.35Å; L21-K143 PolarHBondContact O-NZ 2.98Å; N23-K143 WeakPolarHBondContact OD1-CE 3.43Å; N23-K143 PolarHBondContact OD1-NZ 2.89Å; L139-K143 WeakPolarHBondContact O-CB 3.37Å; L139-K143 WeakPolarHBondContact O-CG 3.43Å; L139-K143 PolarHBondContact O-N 3.26Å; Q140-K143 WeakPolarHBondContact O-CB 3.32Å; Q140-K143 PolarHBondContact O-N 3.43Å; L141-K143 PolarHBondContact O-N 3.24Å; K143-H145 VanDerWaalsContact C-N 3.33Å; K143-H145 PolarHBondContact O-N 3.23Å; K143-V146 PolarHBondContact O-N 3.27Å; K143-L147 WeakPolarHBondContact O-CB 3.06Å; K143-L147 PolarHBondContact O-N 3.23Å
144	N	91.1	Very high	89.8	Confident	15 Å²	15	57.2 Å²	57.2	8%	0.08	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-41.2	-179	-71.3	0.5	0	0	0	111.7	Y122 Q140 L141 V146 L147 Y148	Y122-N144 PolarHBondContact OH-ND2 2.99Å; Q140-N144 PolarHBondContact NE2-OD1 3.46Å; Q140-N144 WeakPolarHBondContact O-CB 3.41Å; Q140-N144 PolarHBondContact O-N 2.89Å; Q140-N144 PolarHBondContact O-OD1 2.74Å; L141-N144 PolarHBondContact O-N 2.87Å; N144-V146 VanDerWaalsContact C-N 3.31Å; N144-V146 PolarHBondContact O-N 3.22Å; N144-L147 PolarHBondContact O-N 3.26Å; N144-Y148 HydrophobicContact CB-CD2 3.77Å; N144-Y148 HydrophobicContact CB-CE2 4.05Å; N144-Y148 WeakPolarHBondContact O-CB 3.27Å; N144-Y148 WeakPolarHBondContact O-CD2 3.43Å; N144-Y148 PolarHBondContact O-N 3.2Å
145	H	88.9	Confident	89.5	Confident	17 Å²	17	58.9 Å²	58.9	8%	0.079	29%	0.289	C	S	.	.	H	α-helix	trans	-54.7	-46.8	178.1	170.9	-91.4	0	0	0	112	L141 K143 E149 L150 Y157	L141-H145 WeakPolarHBondContact O-CB 3.46Å; L141-H145 PolarHBondContact O-N 3Å; K143-H145 VanDerWaalsContact C-N 3.33Å; K143-H145 PolarHBondContact O-N 3.23Å; H145-E149 PolarHBondContact O-N 2.59Å; H145-L150 PolarHBondContact O-N 3.44Å; H145-Y157 AromaticContact CE1-CD1 3.55Å; H145-Y157 AromaticContact CE1-CE1 3.62Å; H145-Y157 AromaticContact NE2-CD1 3.24Å; H145-Y157 WeakPolarHBondContact NE2-CD1 3.12Å; H145-Y157 AromaticContact NE2-CE1 3.13Å; H145-Y157 WeakPolarHBondContact NE2-CE1 3.4Å
146	V	86.7	Confident	89.4	Confident	43 Å²	43	57.5 Å²	57.5	26%	0.261	29%	0.286	S	S	.	.	H	α-helix	trans	-77.7	-45.5	179	-178.1	0	0	0	0	111.4	R142 K143 N144	R142-V146 PolarHBondContact O-N 2.94Å; K143-V146 PolarHBondContact O-N 3.27Å; N144-V146 VanDerWaalsContact C-N 3.31Å; N144-V146 PolarHBondContact O-N 3.22Å
147	L	86.7	Confident	89.2	Confident	104 Å²	104	57.1 Å²	57.1	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-67.2	-40.3	-173.7	-178.6	63.1	0	0	0	113.2	K143 N144	K143-L147 WeakPolarHBondContact O-CB 3.06Å; K143-L147 PolarHBondContact O-N 3.23Å; N144-L147 PolarHBondContact O-N 3.26Å
148	Y	86.9	Confident	88.9	Confident	107 Å²	107	60 Å²	60	42%	0.42	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	8.5	-176.8	-58	-56.7	0	0	0	113.2	W66 N144 L150	W66-Y148 VanDerWaalsContact CD1-OH 3.31Å; W66-Y148 PolarHBondContact NE1-OH 3.03Å; N144-Y148 HydrophobicContact CB-CD2 3.77Å; N144-Y148 HydrophobicContact CB-CE2 4.05Å; N144-Y148 WeakPolarHBondContact O-CB 3.27Å; N144-Y148 WeakPolarHBondContact O-CD2 3.43Å; N144-Y148 PolarHBondContact O-N 3.2Å; Y148-L150 PolarHBondContact O-N 2.85Å
149	E	85.1	Confident	88.9	Confident	85 Å²	85	63 Å²	63	40%	0.397	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	46.8	179.8	-54.5	-162.6	131.3	0	0	112.9	H145 F151 P192 K193 K194	H145-E149 PolarHBondContact O-N 2.59Å; E149-F151 PolarHBondContact O-N 2.9Å; E149-F151 VanDerWaalsContact O-N 3.15Å; E149-P192 HydrophobicContact CB-CB 4Å; E149-P192 HydrophobicContact CG-CB 4.07Å; E149-K193 WeakPolarHBondContact OE1-CB 3.37Å; E149-K193 PolarHBondContact OE1-N 2.86Å; E149-K194 PolarHBondContact OE1-N 2.89Å
150	L	85.4	Confident	88.8	Confident	83 Å²	83	65 Å²	65	44%	0.435	33%	0.326	S	S	.	.			trans	-59.7	121.1	-174.9	-61	-176.8	0	0	0	109.9	H145 Y148 Y157	H145-L150 PolarHBondContact O-N 3.44Å; Y148-L150 PolarHBondContact O-N 2.85Å; L150-Y157 PolarHBondContact O-OH 2.71Å
151	F	81	Confident	88.6	Confident	184 Å²	184	65.1 Å²	65.1	81%	0.807	33%	0.327	S	S	*	.			trans	-69.8	129.9	-175.9	-177.1	-97.3	0	0	0	111.9	E149 Y157	E149-F151 PolarHBondContact O-N 2.9Å; E149-F151 VanDerWaalsContact O-N 3.15Å; F151-Y157 VanDerWaalsContact CA-OH 3.3Å; F151-Y157 WeakPolarHBondContact CA-OH 3.34Å
152	C	84	Confident	88.6	Confident	36 Å²	36	64.2 Å²	64.2	24%	0.243	33%	0.33	C	S	.	.			trans	-140.9	167.9	174.1	-72	0	0	0	0	109.7	V156 Y157	C152-V156 HydrophobicContact CB-CB 4.15Å; C152-V156 HydrophobicContact CB-CG1 4.01Å; C152-Y157 HydrophobicContact CB-CD1 4.38Å; C152-Y157 HydrophobicContact CB-CD2 4.08Å; C152-Y157 HydrophobicContact CB-CE1 4Å; C152-Y157 HydrophobicContact CB-CE2 3.73Å; C152-Y157 HydrophobicContact CB-CG 4.42Å; C152-Y157 PolarHBondContact N-OH 3.42Å; C152-Y157 WeakPolarHBondContact O-CE2 3.26Å
153	D	87.8	Confident	88.7	Confident	82 Å²	82	69.5 Å²	69.5	44%	0.439	35%	0.354	S	S	.	.			trans	-66.3	144.8	169.2	-176.6	-88.6	0	0	0	110.4	N155 V156 Y157	D153-N155 PolarHBondContact O-N 3.15Å; D153-N155 VanDerWaalsContact O-N 3.15Å; D153-N155 VanDerWaalsContact OD1-CB 3.27Å; D153-N155 WeakPolarHBondContact OD1-CB 3.21Å; D153-N155 PolarHBondContact OD1-N 3.3Å; D153-N155 PolarHBondContact OD1-ND2 3.41Å; D153-V156 HydrophobicContact CB-CB 4.45Å; D153-V156 HydrophobicContact CB-CG2 4.05Å; D153-V156 WeakPolarHBondContact O-CA 3.24Å; D153-V156 WeakPolarHBondContact O-CB 3.13Å; D153-V156 PolarHBondContact O-N 3.16Å; D153-Y157 WeakPolarHBondContact O-CD2 3.33Å; D153-Y157 PolarHBondContact O-N 3.09Å; D153-Y157 VanDerWaalsContact O-N 3.09Å
154	P	85.8	Confident	88.8	Confident	42 Å²	42	67.2 Å²	67.2	27%	0.273	34%	0.344	S	S	.	.	H	α-helix	trans	-49.9	-38.6	176.9	-31.1	38.7	0	0	0	114.6	V156 Y157 L158 I200 I201	P154-V156 VanDerWaalsContact C-N 3.3Å; P154-V156 PolarHBondContact O-N 2.84Å; P154-Y157 PolarHBondContact O-N 3.03Å; P154-L158 PolarHBondContact O-N 3.23Å; P154-L158 VanDerWaalsContact O-N 3.16Å; P154-I200 HydrophobicContact CB-CG2 3.78Å; P154-I200 HydrophobicContact CG-CG2 3.31Å; P154-I201 HydrophobicContact CB-CG1 4.42Å
155	N	89	Confident	88.8	Confident	101 Å²	101	67.8 Å²	67.8	54%	0.54	35%	0.347	S	S	.	.	H	α-helix	trans	-68.2	-33	178.2	-60.8	-67.9	0	0	0	111.9	D153 Q159	D153-N155 PolarHBondContact O-N 3.15Å; D153-N155 VanDerWaalsContact O-N 3.15Å; D153-N155 VanDerWaalsContact OD1-CB 3.27Å; D153-N155 WeakPolarHBondContact OD1-CB 3.21Å; D153-N155 PolarHBondContact OD1-N 3.3Å; D153-N155 PolarHBondContact OD1-ND2 3.41Å; N155-Q159 WeakPolarHBondContact O-CG 3.05Å; N155-Q159 PolarHBondContact O-N 2.86Å; N155-Q159 VanDerWaalsContact O-N 3.12Å
156	V	91.1	Very high	89.1	Confident	56 Å²	56	71.5 Å²	71.5	34%	0.339	37%	0.365	S	S	.	.	H	α-helix	trans	-69.7	-39.2	176.2	175.8	0	0	0	0	110.1	C152 D153 P154 L158 Q159 L160	C152-V156 HydrophobicContact CB-CB 4.15Å; C152-V156 HydrophobicContact CB-CG1 4.01Å; D153-V156 HydrophobicContact CB-CB 4.45Å; D153-V156 HydrophobicContact CB-CG2 4.05Å; D153-V156 WeakPolarHBondContact O-CA 3.24Å; D153-V156 WeakPolarHBondContact O-CB 3.13Å; D153-V156 PolarHBondContact O-N 3.16Å; P154-V156 VanDerWaalsContact C-N 3.3Å; P154-V156 PolarHBondContact O-N 2.84Å; V156-L158 PolarHBondContact O-N 3.27Å; V156-Q159 PolarHBondContact O-N 3.27Å; V156-L160 HydrophobicContact CG1-CD1 3.87Å; V156-L160 HydrophobicContact CG1-CG 4.11Å; V156-L160 WeakPolarHBondContact O-CB 3.27Å; V156-L160 VanDerWaalsContact O-CG 3.27Å; V156-L160 WeakPolarHBondContact O-CG 3.44Å; V156-L160 PolarHBondContact O-N 3.21Å
157	Y	88.4	Confident	89.3	Confident	9 Å²	9	72 Å²	72	4%	0.035	37%	0.373	C	S	.	.	H	α-helix	trans	-59.7	-47.4	174.5	-74.5	-65.9	0	0	0	112.3	H145 L150 F151 C152 D153 P154 Q159 L160 A161 P192 I195 I201	H145-Y157 AromaticContact CE1-CD1 3.55Å; H145-Y157 AromaticContact CE1-CE1 3.62Å; H145-Y157 AromaticContact NE2-CD1 3.24Å; H145-Y157 WeakPolarHBondContact NE2-CD1 3.12Å; H145-Y157 AromaticContact NE2-CE1 3.13Å; H145-Y157 WeakPolarHBondContact NE2-CE1 3.4Å; L150-Y157 PolarHBondContact O-OH 2.71Å; F151-Y157 VanDerWaalsContact CA-OH 3.3Å; F151-Y157 WeakPolarHBondContact CA-OH 3.34Å; C152-Y157 HydrophobicContact CB-CD1 4.38Å; C152-Y157 HydrophobicContact CB-CD2 4.08Å; C152-Y157 HydrophobicContact CB-CE1 4Å; C152-Y157 HydrophobicContact CB-CE2 3.73Å; C152-Y157 HydrophobicContact CB-CG 4.42Å; C152-Y157 PolarHBondContact N-OH 3.42Å; C152-Y157 WeakPolarHBondContact O-CE2 3.26Å; D153-Y157 WeakPolarHBondContact O-CD2 3.33Å; D153-Y157 PolarHBondContact O-N 3.09Å; D153-Y157 VanDerWaalsContact O-N 3.09Å; P154-Y157 PolarHBondContact O-N 3.03Å; Y157-Q159 VanDerWaalsContact C-N 3.3Å; Y157-Q159 PolarHBondContact O-N 3.18Å; Y157-L160 PolarHBondContact O-N 3.49Å; Y157-A161 WeakPolarHBondContact O-CB 3.42Å; Y157-A161 PolarHBondContact O-N 3.45Å; Y157-P192 HydrophobicContact CE1-CG 3.81Å; Y157-I195 HydrophobicContact CD1-CD1 3.61Å; Y157-I195 HydrophobicContact CD2-CD1 3.47Å; Y157-I195 VanDerWaalsContact CD2-CD1 3.47Å; Y157-I195 HydrophobicContact CD2-CG1 4.46Å; Y157-I195 HydrophobicContact CE1-CD1 3.38Å; Y157-I195 HydrophobicContact CE2-CD1 3.18Å; Y157-I195 HydrophobicContact CE2-CG1 4.01Å; Y157-I195 HydrophobicContact CG-CD1 3.66Å; Y157-I201 HydrophobicContact CG-CD1 4.4Å
158	L	89.3	Confident	89.5	Confident	71 Å²	71	71.1 Å²	71.1	37%	0.372	37%	0.366	S	S	.	.	H	α-helix	trans	-55.3	-46.5	175.4	-79.7	165.2	0	0	0	111.6	P154 V156 A161 A162 I201	P154-L158 PolarHBondContact O-N 3.23Å; P154-L158 VanDerWaalsContact O-N 3.16Å; V156-L158 PolarHBondContact O-N 3.27Å; L158-A161 PolarHBondContact O-N 3.11Å; L158-A162 WeakPolarHBondContact O-CB 3.04Å; L158-A162 PolarHBondContact O-N 3.4Å; L158-I201 HydrophobicContact CD1-CG2 4.26Å; L158-I201 HydrophobicContact CD2-CG2 3.54Å; L158-I201 HydrophobicContact CG-CG2 3.82Å
159	Q	93.1	Very high	89.6	Confident	110 Å²	110	70.8 Å²	70.8	51%	0.514	37%	0.371	S	S	.	.	H	α-helix	trans	-63.9	-46.1	177.5	-71.9	175.8	10	0	0	112.3	N155 V156 Y157 A161 A162 F163	N155-Q159 WeakPolarHBondContact O-CG 3.05Å; N155-Q159 PolarHBondContact O-N 2.86Å; N155-Q159 VanDerWaalsContact O-N 3.12Å; V156-Q159 PolarHBondContact O-N 3.27Å; Y157-Q159 VanDerWaalsContact C-N 3.3Å; Y157-Q159 PolarHBondContact O-N 3.18Å; Q159-A161 VanDerWaalsContact C-N 3.32Å; Q159-A161 PolarHBondContact O-N 3.24Å; Q159-A162 PolarHBondContact O-N 3.1Å; Q159-F163 HydrophobicContact CB-CD2 4.44Å; Q159-F163 HydrophobicContact CB-CE2 4.09Å; Q159-F163 WeakPolarHBondContact O-CD2 3.37Å; Q159-F163 WeakPolarHBondContact O-CG 3.03Å; Q159-F163 PolarHBondContact O-N 3.16Å
160	L	92.9	Very high	89.9	Confident	67 Å²	67	68.1 Å²	68.1	35%	0.351	37%	0.367	S	S	.	.	H	α-helix	trans	-62.6	-38.9	178.7	-71.8	175.9	0	0	0	111.9	V156 Y157 A164	V156-L160 HydrophobicContact CG1-CD1 3.87Å; V156-L160 HydrophobicContact CG1-CG 4.11Å; V156-L160 WeakPolarHBondContact O-CB 3.27Å; V156-L160 VanDerWaalsContact O-CG 3.27Å; V156-L160 WeakPolarHBondContact O-CG 3.44Å; V156-L160 PolarHBondContact O-N 3.21Å; Y157-L160 PolarHBondContact O-N 3.49Å; L160-A164 WeakPolarHBondContact O-CB 3.46Å; L160-A164 PolarHBondContact O-N 2.81Å
161	A	91.3	Very high	90.2	Very high	2 Å²	2	70.9 Å²	70.9	2%	0.017	38%	0.382	C	S	.	.	H	α-helix	trans	-64.7	-45.5	174.6	0	0	0	0	0	111.6	Y157 L158 Q159 F163 A164 L165 F185 Y190 Y191	Y157-A161 WeakPolarHBondContact O-CB 3.42Å; Y157-A161 PolarHBondContact O-N 3.45Å; L158-A161 PolarHBondContact O-N 3.11Å; Q159-A161 VanDerWaalsContact C-N 3.32Å; Q159-A161 PolarHBondContact O-N 3.24Å; A161-F163 PolarHBondContact O-N 3Å; A161-A164 PolarHBondContact O-N 2.7Å; A161-L165 WeakPolarHBondContact O-CG 3.33Å; A161-L165 PolarHBondContact O-N 3.12Å; A161-F185 HydrophobicContact CB-CE2 4.28Å; A161-Y190 HydrophobicContact CB-CD1 4.44Å; A161-Y190 HydrophobicContact CB-CG 4.36Å; A161-Y191 HydrophobicContact CB-CD1 4.49Å; A161-Y191 HydrophobicContact CB-CE1 3.56Å
162	A	92.7	Very high	90.4	Very high	56 Å²	56	65.2 Å²	65.2	46%	0.463	37%	0.369	S	S	.	.	H	α-helix	trans	-60.7	-44.7	176	0	0	0	0	0	112.2	L158 Q159 L165 Q166	L158-A162 WeakPolarHBondContact O-CB 3.04Å; L158-A162 PolarHBondContact O-N 3.4Å; Q159-A162 PolarHBondContact O-N 3.1Å; A162-L165 PolarHBondContact O-N 3.25Å; A162-Q166 PolarHBondContact O-N 2.89Å
163	F	94	Very high	90.5	Very high	141 Å²	141	66.6 Å²	66.6	62%	0.618	38%	0.378	S	S	*	.	H	α-helix	trans	-65	-38.7	175.9	-67.1	-45.1	0	0	0	112.6	Q159 A161 Q166 A167	Q159-F163 HydrophobicContact CB-CD2 4.44Å; Q159-F163 HydrophobicContact CB-CE2 4.09Å; Q159-F163 WeakPolarHBondContact O-CD2 3.37Å; Q159-F163 WeakPolarHBondContact O-CG 3.03Å; Q159-F163 PolarHBondContact O-N 3.16Å; A161-F163 PolarHBondContact O-N 3Å; F163-Q166 PolarHBondContact O-N 3.26Å; F163-A167 WeakPolarHBondContact O-CB 3.21Å; F163-A167 PolarHBondContact O-N 3.43Å
164	A	93.1	Very high	90.3	Very high	1 Å²	1	72.9 Å²	72.9	1%	0.008	40%	0.401	C	S	.	.	H	α-helix	trans	-64.8	-44.1	177.1	0	0	0	0	0	111.9	Y138 R142 L160 A161 Q166 A167 E168 Y190	Y138-A164 VanDerWaalsContact OH-CA 3.26Å; Y138-A164 WeakPolarHBondContact OH-CA 3.49Å; Y138-A164 WeakPolarHBondContact OH-CB 3.07Å; R142-A164 VanDerWaalsContact NE-CB 3.29Å; L160-A164 WeakPolarHBondContact O-CB 3.46Å; L160-A164 PolarHBondContact O-N 2.81Å; A161-A164 PolarHBondContact O-N 2.7Å; A164-Q166 VanDerWaalsContact C-N 3.35Å; A164-Q166 PolarHBondContact O-N 3Å; A164-A167 PolarHBondContact O-N 3.48Å; A164-E168 WeakPolarHBondContact O-CB 3.34Å; A164-E168 VanDerWaalsContact O-CG 3.32Å; A164-E168 WeakPolarHBondContact O-CG 3.48Å; A164-E168 PolarHBondContact O-N 2.9Å; A164-Y190 HydrophobicContact CB-CD1 3.77Å; A164-Y190 HydrophobicContact CB-CE1 3.67Å
165	L	92.5	Very high	90.2	Very high	27 Å²	27	77.5 Å²	77.5	14%	0.141	42%	0.422	C	S	.	.	H	α-helix	trans	-57.8	-47.4	173.8	-76.2	167.8	0	0	0	111.3	A161 A162 A167 E168 L169 Y184 F185 Y190	A161-L165 WeakPolarHBondContact O-CG 3.33Å; A161-L165 PolarHBondContact O-N 3.12Å; A162-L165 PolarHBondContact O-N 3.25Å; L165-A167 VanDerWaalsContact C-N 3.28Å; L165-A167 PolarHBondContact O-N 2.91Å; L165-E168 PolarHBondContact O-N 2.64Å; L165-L169 HydrophobicContact CD2-CD1 3.76Å; L165-L169 WeakPolarHBondContact O-CB 3.42Å; L165-L169 PolarHBondContact O-N 3.39Å; L165-Y184 HydrophobicContact CD2-CD2 4.25Å; L165-F185 HydrophobicContact CD1-CB 4.3Å; L165-F185 HydrophobicContact CD1-CD2 3.66Å; L165-F185 HydrophobicContact CD1-CE2 4.27Å; L165-F185 HydrophobicContact CD1-CG 4.17Å; L165-F185 HydrophobicContact CD2-CB 4.43Å; L165-F185 HydrophobicContact CD2-CD2 4.16Å; L165-F185 HydrophobicContact CG-CD2 4.24Å; L165-Y190 HydrophobicContact CD2-CE1 4.16Å; L165-Y190 HydrophobicContact CD2-CE2 3.73Å; L165-Y190 VanDerWaalsContact CD2-CZ 3.5Å; L165-Y190 WeakPolarHBondContact CD2-OH 3.27Å; L165-Y190 HydrophobicContact CG-CE1 4.09Å; L165-Y190 HydrophobicContact CG-CE2 4.3Å
166	Q	93.8	Very high	89.9	Confident	94 Å²	94	76 Å²	76	44%	0.439	41%	0.411	S	S	.	.	H	α-helix	trans	-61.8	-37.7	177.5	-174.5	67.7	29.4	0	0	112	A162 F163 A164 G170 D171	A162-Q166 PolarHBondContact O-N 2.89Å; F163-Q166 PolarHBondContact O-N 3.26Å; A164-Q166 VanDerWaalsContact C-N 3.35Å; A164-Q166 PolarHBondContact O-N 3Å; Q166-G170 VanDerWaalsContact O-CA 3.27Å; Q166-G170 WeakPolarHBondContact O-CA 3.39Å; Q166-G170 PolarHBondContact O-N 3.45Å; Q166-G170 VanDerWaalsContact O-N 3.09Å; Q166-G170 PolarHBondContact OE1-O 3.26Å; Q166-G170 VanDerWaalsContact OE1-O 3.09Å; Q166-D171 PolarHBondContact NE2-OD1 2.87Å
167	A	91.6	Very high	89.4	Confident	53 Å²	53	76.1 Å²	76.1	44%	0.438	41%	0.41	S	S	.	.	H	α-helix	trans	-71.7	-29.5	178.5	0	0	0	0	0	113.3	Y138 F163 A164 L165	Y138-A167 HydrophobicContact CE1-CB 4.13Å; F163-A167 WeakPolarHBondContact O-CB 3.21Å; F163-A167 PolarHBondContact O-N 3.43Å; A164-A167 PolarHBondContact O-N 3.48Å; L165-A167 VanDerWaalsContact C-N 3.28Å; L165-A167 PolarHBondContact O-N 2.91Å
168	E	89.6	Confident	89	Confident	86 Å²	86	80.2 Å²	80.2	40%	0.402	44%	0.438	S	S	.	.	H	α-helix	trans	-95	-38.1	-175.4	-71.2	167	-164.5	0	0	113.1	Y138 A164 L165 Y190	Y138-E168 PolarHBondContact OH-OE1 2.95Å; A164-E168 WeakPolarHBondContact O-CB 3.34Å; A164-E168 VanDerWaalsContact O-CG 3.32Å; A164-E168 WeakPolarHBondContact O-CG 3.48Å; A164-E168 PolarHBondContact O-N 2.9Å; L165-E168 PolarHBondContact O-N 2.64Å; E168-Y190 PolarHBondContact OE2-OH 3.32Å
169	L	89.4	Confident	88.6	Confident	100 Å²	100	85.3 Å²	85.3	52%	0.524	46%	0.46	S	S	.	.	H	α-helix	trans	-112.5	-15.5	-172.2	-55.3	-179.9	0	0	0	113.5	L165 Y184	L165-L169 HydrophobicContact CD2-CD1 3.76Å; L165-L169 WeakPolarHBondContact O-CB 3.42Å; L165-L169 PolarHBondContact O-N 3.39Å; L169-Y184 HydrophobicContact CD1-CD2 4.08Å; L169-Y184 HydrophobicContact CD1-CG 4.45Å
170	G	91.1	Very high	87.9	Confident	30 Å²	30	85.1 Å²	85.1	31%	0.309	47%	0.466	S	S	.	.			trans	76.5	-150.7	-171.3	0	0	0	0	0	112.1	Q166	Q166-G170 VanDerWaalsContact O-CA 3.27Å; Q166-G170 WeakPolarHBondContact O-CA 3.39Å; Q166-G170 PolarHBondContact O-N 3.45Å; Q166-G170 VanDerWaalsContact O-N 3.09Å; Q166-G170 PolarHBondContact OE1-O 3.26Å; Q166-G170 VanDerWaalsContact OE1-O 3.09Å
171	D	92.1	Very high	87.3	Confident	140 Å²	140	86.1 Å²	86.1	75%	0.749	47%	0.469	S	S	*	.	S	Bend	trans	-64	134.9	-175.6	-64.4	-20.7	0	0	0	111.9	Q166	Q166-D171 PolarHBondContact NE2-OD1 2.87Å
172	A	86.3	Confident	86.9	Confident	66 Å²	66	93.6 Å²	93.6	55%	0.545	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-58.4	141.2	176.7	0	0	0	0	0	111.5	K174	A172-K174 PolarHBondContact O-N 2.96Å
173	P	85	Confident	86.4	Confident	64 Å²	64	93.5 Å²	93.5	42%	0.416	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-61.8	134.5	177.3	27.6	-34.5	0	0	0	109.8	I175 F176 Y184	P173-I175 PolarHBondContact O-N 3.4Å; P173-F176 HydrophobicContact CG-CB 4.38Å; P173-Y184 HydrophobicContact CG-CD1 4.23Å; P173-Y184 HydrophobicContact CG-CE1 4.05Å
174	K	84.3	Confident	85.9	Confident	214 Å²	214	91.6 Å²	91.6	93%	0.93	49%	0.492	S	S	*	.	S	Bend	trans	-63.7	-25.8	179.8	-65.8	-176.8	-179.4	179.1	0	112.9	A172	A172-K174 PolarHBondContact O-N 2.96Å
175	I	83.2	Confident	85.6	Confident	139 Å²	139	93.6 Å²	93.6	71%	0.713	50%	0.501	S	S	*	.			trans	-134.3	124.2	180	-56.3	173	0	0	0	105.1	P173	P173-I175 PolarHBondContact O-N 3.4Å
176	F	82.4	Confident	85.4	Confident	69 Å²	69	96 Å²	96	30%	0.303	51%	0.513	S	S	.	.			trans	-125.6	125.1	172.9	172.8	-107.6	0	0	0	107.3	P173 P178 E181 Y184	P173-F176 HydrophobicContact CG-CB 4.38Å; F176-P178 HydrophobicContact CE1-CB 3.89Å; F176-P178 HydrophobicContact CZ-CB 4.37Å; F176-E181 HydrophobicContact CD2-CB 4.11Å; F176-E181 WeakPolarHBondContact CD2-OE2 3.39Å; F176-E181 HydrophobicContact CE2-CB 3.78Å; F176-Y184 HydrophobicContact CB-CE1 4.4Å; F176-Y184 HydrophobicContact CD1-CE1 4.43Å; F176-Y184 AromaticContact CD2-CD1 3.85Å; F176-Y184 HydrophobicContact CD2-CD1 3.85Å; F176-Y184 AromaticContact CD2-CE1 3.93Å; F176-Y184 HydrophobicContact CD2-CE1 3.93Å; F176-Y184 AromaticContact CE2-CD1 3.97Å; F176-Y184 HydrophobicContact CE2-CD1 3.97Å; F176-Y184 HydrophobicContact CE2-CE1 4.34Å; F176-Y184 HydrophobicContact CG-CD1 4.38Å; F176-Y184 AromaticContact CG-CE1 3.99Å; F176-Y184 HydrophobicContact CG-CE1 3.99Å
177	N	81.1	Confident	85.1	Confident	59 Å²	59	92.4 Å²	92.4	32%	0.316	50%	0.498	S	S	.	.			trans	-110.8	106.1	175.6	-178	7.1	0	0	0	110	E179 T180 E181	N177-E179 PolarHBondContact O-N 3.05Å; N177-E179 VanDerWaalsContact O-N 3.09Å; N177-E179 PolarHBondContact OD1-N 3.44Å; N177-E179 VanDerWaalsContact OD1-N 3.16Å; N177-T180 WeakPolarHBondContact CB-OG1 3.41Å; N177-T180 PolarHBondContact ND2-OG1 2.94Å; N177-T180 VanDerWaalsContact ND2-OG1 3.17Å; N177-T180 PolarHBondContact O-N 3.22Å; N177-T180 VanDerWaalsContact O-N 3.12Å; N177-E181 WeakPolarHBondContact O-CB 3.19Å; N177-E181 PolarHBondContact O-N 3.37Å
178	P	80.6	Confident	84.8	Confident	96 Å²	96	95.9 Å²	95.9	62%	0.623	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-17	-177.2	25.8	-34.1	0	0	0	113.9	F176	F176-P178 HydrophobicContact CE1-CB 3.89Å; F176-P178 HydrophobicContact CZ-CB 4.37Å
179	E	80.6	Confident	84.7	Confident	178 Å²	178	96.8 Å²	96.8	83%	0.832	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-24.2	178.1	-61.5	-175.2	171.2	0	0	113.2	N177	N177-E179 PolarHBondContact O-N 3.05Å; N177-E179 VanDerWaalsContact O-N 3.09Å; N177-E179 PolarHBondContact OD1-N 3.44Å; N177-E179 VanDerWaalsContact OD1-N 3.16Å
180	T	78.7	Confident	84.6	Confident	105 Å²	105	92.5 Å²	92.5	64%	0.644	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-21.9	-174.3	56.7	0	0	0	0	113.5	N177	N177-T180 WeakPolarHBondContact CB-OG1 3.41Å; N177-T180 PolarHBondContact ND2-OG1 2.94Å; N177-T180 VanDerWaalsContact ND2-OG1 3.17Å; N177-T180 PolarHBondContact O-N 3.22Å; N177-T180 VanDerWaalsContact O-N 3.12Å
181	E	80.9	Confident	84.4	Confident	89 Å²	89	91.5 Å²	91.5	42%	0.416	48%	0.476	S	S	.	.	S	Bend	trans	-114.1	140.7	-173.9	-64.8	177.1	-171.2	0	0	111.3	F176 N177 S183	F176-E181 HydrophobicContact CD2-CB 4.11Å; F176-E181 WeakPolarHBondContact CD2-OE2 3.39Å; F176-E181 HydrophobicContact CE2-CB 3.78Å; N177-E181 WeakPolarHBondContact O-CB 3.19Å; N177-E181 PolarHBondContact O-N 3.37Å; E181-S183 PolarHBondContact O-N 3.18Å
182	I	81.1	Confident	84.1	Confident	159 Å²	159	84.9 Å²	84.9	82%	0.815	44%	0.441	S	S	*	.			trans	-66.5	131.1	173	-60.8	171.2	0	0	0	107.6	Y184	I182-Y184 PolarHBondContact O-N 3.47Å; I182-Y184 VanDerWaalsContact O-N 3.07Å
183	S	83.5	Confident	84.1	Confident	54 Å²	54	89.7 Å²	89.7	38%	0.378	45%	0.45	S	S	.	.			trans	-53.8	119.6	174.8	-172.4	0	0	0	0	110	E181 F185	E181-S183 PolarHBondContact O-N 3.18Å; S183-F185 PolarHBondContact O-N 2.8Å; S183-F185 PolarHBondContact OG-N 2.82Å; S183-F185 PolarHBondContact OG-O 3.09Å
184	Y	82.9	Confident	84	Confident	100 Å²	100	91.8 Å²	91.8	39%	0.392	45%	0.452	S	S	.	.	S	Bend	trans	-73	-13.9	175.2	64.2	-94.7	0	0	0	111.8	L165 L169 P173 F176 I182	L165-Y184 HydrophobicContact CD2-CD2 4.25Å; L169-Y184 HydrophobicContact CD1-CD2 4.08Å; L169-Y184 HydrophobicContact CD1-CG 4.45Å; P173-Y184 HydrophobicContact CG-CD1 4.23Å; P173-Y184 HydrophobicContact CG-CE1 4.05Å; F176-Y184 HydrophobicContact CB-CE1 4.4Å; F176-Y184 HydrophobicContact CD1-CE1 4.43Å; F176-Y184 AromaticContact CD2-CD1 3.85Å; F176-Y184 HydrophobicContact CD2-CD1 3.85Å; F176-Y184 AromaticContact CD2-CE1 3.93Å; F176-Y184 HydrophobicContact CD2-CE1 3.93Å; F176-Y184 AromaticContact CE2-CD1 3.97Å; F176-Y184 HydrophobicContact CE2-CD1 3.97Å; F176-Y184 HydrophobicContact CE2-CE1 4.34Å; F176-Y184 HydrophobicContact CG-CD1 4.38Å; F176-Y184 AromaticContact CG-CE1 3.99Å; F176-Y184 HydrophobicContact CG-CE1 3.99Å; I182-Y184 PolarHBondContact O-N 3.47Å; I182-Y184 VanDerWaalsContact O-N 3.07Å
185	F	87	Confident	83.7	Confident	43 Å²	43	82.2 Å²	82.2	19%	0.189	41%	0.411	C	S	.	.			trans	-113.9	118.7	177	178	-124.9	0	0	0	110.4	A161 L165 S183 P187 Y190 Y191	A161-F185 HydrophobicContact CB-CE2 4.28Å; L165-F185 HydrophobicContact CD1-CB 4.3Å; L165-F185 HydrophobicContact CD1-CD2 3.66Å; L165-F185 HydrophobicContact CD1-CE2 4.27Å; L165-F185 HydrophobicContact CD1-CG 4.17Å; L165-F185 HydrophobicContact CD2-CB 4.43Å; L165-F185 HydrophobicContact CD2-CD2 4.16Å; L165-F185 HydrophobicContact CG-CD2 4.24Å; S183-F185 PolarHBondContact O-N 2.8Å; S183-F185 PolarHBondContact OG-N 2.82Å; S183-F185 PolarHBondContact OG-O 3.09Å; F185-P187 HydrophobicContact CD1-CG 4.32Å; F185-P187 HydrophobicContact CE1-CG 3.81Å; F185-P187 HydrophobicContact CZ-CB 4.39Å; F185-P187 HydrophobicContact CZ-CG 4.11Å; F185-Y190 AromaticContact CD2-CD2 3.54Å; F185-Y190 HydrophobicContact CD2-CD2 3.54Å; F185-Y190 AromaticContact CD2-CE2 3.92Å; F185-Y190 HydrophobicContact CD2-CE2 3.92Å; F185-Y190 HydrophobicContact CD2-CG 4.25Å; F185-Y190 AromaticContact CE2-CD2 3.52Å; F185-Y190 HydrophobicContact CE2-CD2 3.52Å; F185-Y190 HydrophobicContact CE2-CE2 4.34Å; F185-Y190 AromaticContact CE2-CG 3.84Å; F185-Y190 HydrophobicContact CE2-CG 3.84Å; F185-Y191 AromaticContact CZ-CE2 3.7Å; F185-Y191 HydrophobicContact CZ-CE2 3.7Å; F185-Y191 AromaticContact CZ-CZ 3.87Å
186	L	87.9	Confident	83.7	Confident	78 Å²	78	78.2 Å²	78.2	41%	0.408	39%	0.391	S	S	.	.			trans	-118.5	102.8	174	-64	177.2	0	0	0	108.2	E188 L189 Y190	L186-E188 PolarHBondContact O-N 3.02Å; L186-L189 HydrophobicContact CB-CD1 4.02Å; L186-L189 HydrophobicContact CB-CG 4Å; L186-L189 HydrophobicContact CD1-CD1 3.96Å; L186-L189 WeakPolarHBondContact O-CB 3.38Å; L186-L189 PolarHBondContact O-N 3.37Å; L186-Y190 VanDerWaalsContact O-CD2 3.29Å; L186-Y190 WeakPolarHBondContact O-CD2 3.32Å
187	P	86.9	Confident	83.5	Confident	19 Å²	19	79.3 Å²	79.3	12%	0.123	41%	0.407	C	S	.	.	H	α-helix	trans	-50.1	-32.8	-176.2	-29.5	35.8	0	0	0	114	F185 L189 Y190 Y191 L196	F185-P187 HydrophobicContact CD1-CG 4.32Å; F185-P187 HydrophobicContact CE1-CG 3.81Å; F185-P187 HydrophobicContact CZ-CB 4.39Å; F185-P187 HydrophobicContact CZ-CG 4.11Å; P187-L189 PolarHBondContact O-N 3.32Å; P187-Y190 PolarHBondContact O-N 3.39Å; P187-Y191 HydrophobicContact CB-CD2 3.84Å; P187-Y191 HydrophobicContact CB-CE2 4.11Å; P187-Y191 PolarHBondContact O-N 3.03Å; P187-L196 HydrophobicContact CB-CD2 3.67Å
188	E	86.1	Confident	83.2	Confident	126 Å²	126	81.3 Å²	81.3	59%	0.589	42%	0.415	S	S	*	.	H	α-helix	trans	-64	-25.4	178.8	-55.6	77.2	-169.4	0	0	113.5	L186 L196	L186-E188 PolarHBondContact O-N 3.02Å; E188-L196 HydrophobicContact CB-CD1 4.4Å; E188-L196 HydrophobicContact CG-CD1 4.24Å
189	L	87.1	Confident	82.7	Confident	104 Å²	104	85.1 Å²	85.1	55%	0.545	42%	0.424	S	S	.	.	H	α-helix	trans	-82.9	-28.2	174.2	-59.6	-176.9	0	0	0	111.2	R142 L186 P187	R142-L189 PolarHBondContact NH2-O 3.22Å; L186-L189 HydrophobicContact CB-CD1 4.02Å; L186-L189 HydrophobicContact CB-CG 4Å; L186-L189 HydrophobicContact CD1-CD1 3.96Å; L186-L189 WeakPolarHBondContact O-CB 3.38Å; L186-L189 PolarHBondContact O-N 3.37Å; P187-L189 PolarHBondContact O-N 3.32Å
190	Y	88.2	Confident	82.1	Confident	10 Å²	10	80.4 Å²	80.4	4%	0.039	40%	0.404	C	S	.	.	H	α-helix	trans	-98.2	-33.8	-171.6	-64.5	-84.2	0	0	0	115.1	R142 A161 A164 L165 E168 F185 L186 P187	R142-Y190 VanDerWaalsContact CZ-CD1 3.48Å; R142-Y190 PolarHBondContact NH1-O 3.14Å; R142-Y190 VanDerWaalsContact NH2-CA 3.27Å; A161-Y190 HydrophobicContact CB-CD1 4.44Å; A161-Y190 HydrophobicContact CB-CG 4.36Å; A164-Y190 HydrophobicContact CB-CD1 3.77Å; A164-Y190 HydrophobicContact CB-CE1 3.67Å; L165-Y190 HydrophobicContact CD2-CE1 4.16Å; L165-Y190 HydrophobicContact CD2-CE2 3.73Å; L165-Y190 VanDerWaalsContact CD2-CZ 3.5Å; L165-Y190 WeakPolarHBondContact CD2-OH 3.27Å; L165-Y190 HydrophobicContact CG-CE1 4.09Å; L165-Y190 HydrophobicContact CG-CE2 4.3Å; E168-Y190 PolarHBondContact OE2-OH 3.32Å; F185-Y190 AromaticContact CD2-CD2 3.54Å; F185-Y190 HydrophobicContact CD2-CD2 3.54Å; F185-Y190 AromaticContact CD2-CE2 3.92Å; F185-Y190 HydrophobicContact CD2-CE2 3.92Å; F185-Y190 HydrophobicContact CD2-CG 4.25Å; F185-Y190 AromaticContact CE2-CD2 3.52Å; F185-Y190 HydrophobicContact CE2-CD2 3.52Å; F185-Y190 HydrophobicContact CE2-CE2 4.34Å; F185-Y190 AromaticContact CE2-CG 3.84Å; F185-Y190 HydrophobicContact CE2-CG 3.84Å; L186-Y190 VanDerWaalsContact O-CD2 3.29Å; L186-Y190 WeakPolarHBondContact O-CD2 3.32Å; P187-Y190 PolarHBondContact O-N 3.39Å
191	Y	87.3	Confident	81.4	Confident	10 Å²	10	76.1 Å²	76.1	4%	0.039	38%	0.376	C	S	.	.	S	Bend	trans	-108.8	142.8	-175	-56.9	-45.6	0	0	0	112.6	A161 F185 P187 L196 I201	A161-Y191 HydrophobicContact CB-CD1 4.49Å; A161-Y191 HydrophobicContact CB-CE1 3.56Å; F185-Y191 AromaticContact CZ-CE2 3.7Å; F185-Y191 HydrophobicContact CZ-CE2 3.7Å; F185-Y191 AromaticContact CZ-CZ 3.87Å; P187-Y191 HydrophobicContact CB-CD2 3.84Å; P187-Y191 HydrophobicContact CB-CE2 4.11Å; P187-Y191 PolarHBondContact O-N 3.03Å; Y191-L196 HydrophobicContact CD2-CD2 3.84Å; Y191-L196 HydrophobicContact CG-CD2 4.45Å; Y191-I201 HydrophobicContact CD1-CD1 4.1Å; Y191-I201 HydrophobicContact CD2-CD1 4.47Å; Y191-I201 HydrophobicContact CE1-CD1 3.93Å; Y191-I201 HydrophobicContact CE2-CD1 4.3Å; Y191-I201 HydrophobicContact CE2-CG2 4.27Å; Y191-I201 HydrophobicContact CG-CD1 4.39Å
192	P	86	Confident	80.3	Confident	1 Å²	1	76.9 Å²	76.9	1%	0.006	39%	0.389	C	S	.	.			trans	-48.1	143.1	161.3	-31.4	34.7	0	0	0	112.8	E149 Y157 K194 I195	E149-P192 HydrophobicContact CB-CB 4Å; E149-P192 HydrophobicContact CG-CB 4.07Å; Y157-P192 HydrophobicContact CE1-CG 3.81Å; P192-K194 PolarHBondContact O-N 2.9Å; P192-I195 HydrophobicContact CB-CD1 3.91Å; P192-I195 HydrophobicContact CB-CG1 4.23Å; P192-I195 HydrophobicContact CG-CD1 3.78Å; P192-I195 PolarHBondContact O-N 3.36Å; P192-I195 VanDerWaalsContact O-N 3.11Å
193	K	85.3	Confident	79.2	Confident	167 Å²	167	76.8 Å²	76.8	73%	0.726	40%	0.401	S	S	*	.	H	α-helix	trans	-60.1	-37.6	-176.4	-63.6	-179.9	178.5	177.8	0	111.6	E149 I195 L196 S197	E149-K193 WeakPolarHBondContact OE1-CB 3.37Å; E149-K193 PolarHBondContact OE1-N 2.86Å; K193-I195 VanDerWaalsContact C-N 3.26Å; K193-I195 PolarHBondContact O-N 3.38Å; K193-L196 PolarHBondContact O-N 3.38Å; K193-S197 PolarHBondContact O-N 3.27Å; K193-S197 VanDerWaalsContact O-N 3.1Å; K193-S197 PolarHBondContact O-OG 3.44Å
194	K	82.2	Confident	78.9	Confident	108 Å²	108	78 Å²	78	47%	0.47	40%	0.402	S	S	.	.	H	α-helix	trans	-53.9	-39.5	176.8	-172.2	176.9	177.2	-176.7	0	113.8	E149 P192 S197 E198	E149-K194 PolarHBondContact OE1-N 2.89Å; P192-K194 PolarHBondContact O-N 2.9Å; K194-S197 WeakPolarHBondContact CA-OG 3.29Å; K194-S197 PolarHBondContact O-N 3.09Å; K194-S197 PolarHBondContact O-OG 3.23Å; K194-E198 WeakPolarHBondContact CE-OE1 3.42Å; K194-E198 WeakPolarHBondContact O-CG 3.35Å; K194-E198 PolarHBondContact O-N 2.73Å
195	I	79.8	Confident	78.7	Confident	13 Å²	13	76.8 Å²	76.8	7%	0.067	40%	0.403	C	S	.	.	H	α-helix	trans	-73.3	-39.5	-177.4	-58.3	164.6	0	0	0	111	Y157 P192 K193 S197 E198 E199 I201	Y157-I195 HydrophobicContact CD1-CD1 3.61Å; Y157-I195 HydrophobicContact CD2-CD1 3.47Å; Y157-I195 VanDerWaalsContact CD2-CD1 3.47Å; Y157-I195 HydrophobicContact CD2-CG1 4.46Å; Y157-I195 HydrophobicContact CE1-CD1 3.38Å; Y157-I195 HydrophobicContact CE2-CD1 3.18Å; Y157-I195 HydrophobicContact CE2-CG1 4.01Å; Y157-I195 HydrophobicContact CG-CD1 3.66Å; P192-I195 HydrophobicContact CB-CD1 3.91Å; P192-I195 HydrophobicContact CB-CG1 4.23Å; P192-I195 HydrophobicContact CG-CD1 3.78Å; P192-I195 PolarHBondContact O-N 3.36Å; P192-I195 VanDerWaalsContact O-N 3.11Å; K193-I195 VanDerWaalsContact C-N 3.26Å; K193-I195 PolarHBondContact O-N 3.38Å; I195-S197 PolarHBondContact O-N 3.07Å; I195-E198 PolarHBondContact O-N 3.16Å; I195-E199 PolarHBondContact O-N 3.09Å; I195-I201 HydrophobicContact CG2-CD1 3.54Å; I195-I201 HydrophobicContact CG2-CG1 3.75Å
196	L	81.4	Confident	78.3	Confident	55 Å²	55	78.7 Å²	78.7	29%	0.288	42%	0.415	S	S	.	.	H	α-helix	trans	-62.7	-35	176.9	-63.4	170.5	0	0	0	110.9	P187 E188 Y191 K193	P187-L196 HydrophobicContact CB-CD2 3.67Å; E188-L196 HydrophobicContact CB-CD1 4.4Å; E188-L196 HydrophobicContact CG-CD1 4.24Å; Y191-L196 HydrophobicContact CD2-CD2 3.84Å; Y191-L196 HydrophobicContact CG-CD2 4.45Å; K193-L196 PolarHBondContact O-N 3.38Å
197	S	79.1	Confident	77.7	Confident	92 Å²	92	78.7 Å²	78.7	64%	0.643	42%	0.415	S	S	*	.	H	α-helix	trans	-75.2	-26.3	176.3	57	0	0	0	0	114.6	K193 K194 I195 E199	K193-S197 PolarHBondContact O-N 3.27Å; K193-S197 VanDerWaalsContact O-N 3.1Å; K193-S197 PolarHBondContact O-OG 3.44Å; K194-S197 WeakPolarHBondContact CA-OG 3.29Å; K194-S197 PolarHBondContact O-N 3.09Å; K194-S197 PolarHBondContact O-OG 3.23Å; I195-S197 PolarHBondContact O-N 3.07Å; S197-E199 VanDerWaalsContact C-N 3.33Å
198	E	75	Confident	77.1	Confident	101 Å²	101	82.4 Å²	82.4	47%	0.472	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-1.5	-179	-68.5	174.2	176.4	0	0	112.3	K194 I195 I200	K194-E198 WeakPolarHBondContact CE-OE1 3.42Å; K194-E198 WeakPolarHBondContact O-CG 3.35Å; K194-E198 PolarHBondContact O-N 2.73Å; I195-E198 PolarHBondContact O-N 3.16Å; E198-I200 HydrophobicContact CB-CD1 3.55Å; E198-I200 HydrophobicContact CB-CG1 3.59Å; E198-I200 HydrophobicContact CG-CD1 4.36Å; E198-I200 PolarHBondContact O-N 3.12Å; E198-I200 WeakPolarHBondContact OE2-CD1 3.35Å
199	E	69.4	Low	76.5	Confident	175 Å²	175	79.5 Å²	79.5	82%	0.818	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	29.3	-177.4	-66.7	-176.2	172.9	0	0	113.6	I195 S197 I201	I195-E199 PolarHBondContact O-N 3.09Å; S197-E199 VanDerWaalsContact C-N 3.33Å; E199-I201 VanDerWaalsContact C-N 3.26Å; E199-I201 PolarHBondContact O-N 2.9Å
200	I	67.8	Low	75.8	Confident	80 Å²	80	77.8 Å²	77.8	41%	0.41	41%	0.414	S	S	.	.			trans	-72.1	-25.2	-174.3	-62.5	172.9	0	0	0	111.5	P154 E198	P154-I200 HydrophobicContact CB-CG2 3.78Å; P154-I200 HydrophobicContact CG-CG2 3.31Å; E198-I200 HydrophobicContact CB-CD1 3.55Å; E198-I200 HydrophobicContact CB-CG1 3.59Å; E198-I200 HydrophobicContact CG-CD1 4.36Å; E198-I200 PolarHBondContact O-N 3.12Å; E198-I200 WeakPolarHBondContact OE2-CD1 3.35Å
201	I	64.3	Low	74.8	Confident	14 Å²	14	83 Å²	83	7%	0.072	44%	0.443	C	S	.	.	S	Bend	trans	-109.4	122.5	-178.7	-57.2	-179.6	0	0	0	108.5	P154 Y157 L158 Y191 I195 E199 C203	P154-I201 HydrophobicContact CB-CG1 4.42Å; Y157-I201 HydrophobicContact CG-CD1 4.4Å; L158-I201 HydrophobicContact CD1-CG2 4.26Å; L158-I201 HydrophobicContact CD2-CG2 3.54Å; L158-I201 HydrophobicContact CG-CG2 3.82Å; Y191-I201 HydrophobicContact CD1-CD1 4.1Å; Y191-I201 HydrophobicContact CD2-CD1 4.47Å; Y191-I201 HydrophobicContact CE1-CD1 3.93Å; Y191-I201 HydrophobicContact CE2-CD1 4.3Å; Y191-I201 HydrophobicContact CE2-CG2 4.27Å; Y191-I201 HydrophobicContact CG-CD1 4.39Å; I195-I201 HydrophobicContact CG2-CD1 3.54Å; I195-I201 HydrophobicContact CG2-CG1 3.75Å; E199-I201 VanDerWaalsContact C-N 3.26Å; E199-I201 PolarHBondContact O-N 2.9Å; I201-C203 PolarHBondContact O-N 3.17Å
202	P	58.8	Low	73.8	Confident	106 Å²	106	89.1 Å²	89.1	69%	0.688	48%	0.477	S	S	*	.			trans	-65.9	124.7	172.6	26	-30.7	0	0	0	109.7
203	C	56.5	Low	72.7	Confident	157 Å²	157	97.1 Å²	97.1	100%	1.061	52%	0.52	S	S	*	.			trans	-75.1	0	168.6	-67.3	0	0	0	0	111.3	I201	I201-C203 PolarHBondContact O-N 3.17Å

Retrieved 203 of 203 residues in 364.5 ms (Link to these results)

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