A0A3Q0KFN7_SCHMA Loading...

Receptor protein serine/threonine kinase

AlphaFold DB , UniProt , Accession A0A3Q0KFN7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 216 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	86	Confident	79.8	Confident	100 Å²	100	44.5 Å²	44.5	49%	0.493	29%	0.292	S	S	.	.				0	145.4	0	-169.4	174.3	157.2	0	0	108	T62 P63 S110	M1-T62 WeakPolarHBondContact O-CG2 3.37Å; M1-P63 HydrophobicContact CB-CG 4.16Å; M1-P63 HydrophobicContact CE-CG 3.7Å; M1-P63 HydrophobicContact CG-CG 3.81Å; M1-P63 HydrophobicContact SD-CG 3.84Å; M1-S110 WeakPolarHBondContact CE-O 3.46Å; M1-S110 WeakPolarHBondContact CG-O 3.39Å
2	E	92.4	Very high	77.5	Confident	9 Å²	9	48.8 Å²	48.8	4%	0.042	31%	0.31	C	S	.	.			trans	-151.1	131.2	-175.9	-177.4	167.9	-99.7	0	0	109	R17 S20 C60 C61 K112 H113	E2-R17 IonicContact OE1-CZ 3.36Å; E2-R17 IonicContact OE1-NE 3.62Å; E2-R17 PolarHBondContact OE1-NE 3.02Å; E2-R17 VanDerWaalsContact OE1-NE 3.09Å; E2-R17 IonicContact OE1-NH2 2.91Å; E2-R17 PolarHBondContact OE1-NH2 2.81Å; E2-S20 WeakPolarHBondContact OE2-CB 3.26Å; E2-S20 PolarHBondContact OE2-N 3.1Å; E2-S20 PolarHBondContact OE2-OG 2.72Å; E2-C60 HydrophobicContact CG-CB 3.39Å; E2-C61 WeakPolarHBondContact CA-O 3.42Å; E2-K112 HydrophobicContact CB-CG 4.37Å; E2-H113 PolarHBondContact O-N 2.95Å; E2-H113 IonicContact OE2-CD2 2.87Å; E2-H113 IonicContact OE2-CE1 3.09Å; E2-H113 IonicContact OE2-NE2 3.41Å; E2-H113 PolarHBondContact OE2-NE2 3.32Å
3	C	94.1	Very high	75.6	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	146.7	179	-44.6	0	0	0	0	109.3	C60 C61 C69 C89	C3-C60 CarbonylContact O-C 3.51Å; C3-C60 WeakPolarHBondContact O-CA 3.4Å; C3-C60 WeakPolarHBondContact O-CB 3.34Å; C3-C60 PolarHBondContact O-SG 2.96Å; C3-C60 VanDerWaalsContact O-SG 3.4Å; C3-C61 PolarHBondContact N-O 3.02Å; C3-C61 PolarHBondContact O-N 3.46Å; C3-C69 HydrophobicContact CB-CB 3.64Å; C3-C69 WeakPolarHBondContact CB-SG 3.3Å; C3-C69 WeakPolarHBondContact SG-CA 2.99Å; C3-C69 WeakPolarHBondContact SG-CB 3.38Å; C3-C69 CovalentContact SG-SG 2.02Å; C3-C69 PolarHBondContact SG-SG 3.11Å; C3-C89 VanDerWaalsContact CB-SG 3.55Å; C3-C89 PolarHBondContact SG-SG 3.32Å
4	M	94.7	Very high	74.5	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	150.8	171.4	-69.8	-73.5	-64.1	0	0	110.7	C19 L22 W30 P58 C60 L87 N115 V116	M4-C19 HydrophobicContact SD-CB 4.48Å; M4-C19 PolarHBondContact SD-SG 2.66Å; M4-L22 HydrophobicContact CE-CD2 4.36Å; M4-L22 HydrophobicContact SD-CD2 3.86Å; M4-W30 HydrophobicContact CE-CD2 3.29Å; M4-W30 HydrophobicContact CE-CE3 3.38Å; M4-W30 HydrophobicContact CE-CG 3.95Å; M4-W30 HydrophobicContact CE-CH2 3.45Å; M4-W30 VanDerWaalsContact CE-CH2 3.45Å; M4-W30 HydrophobicContact CE-CZ2 3.36Å; M4-W30 HydrophobicContact CE-CZ3 3.48Å; M4-W30 VanDerWaalsContact CE-CZ3 3.48Å; M4-P58 HydrophobicContact CE-CB 3.52Å; M4-P58 HydrophobicContact SD-CB 4.19Å; M4-C60 VanDerWaalsContact SD-SG 3.6Å; M4-L87 HydrophobicContact CB-CD2 3.57Å; M4-L87 CarbonylContact O-C 3.57Å; M4-L87 WeakPolarHBondContact O-CB 3.39Å; M4-N115 PolarHBondContact N-OD1 3.15Å; M4-N115 PolarHBondContact O-ND2 3.09Å; M4-V116 HydrophobicContact CG-CG2 3.56Å
5	L	93.1	Very high	74.4	Confident	15 Å²	15	62.5 Å²	62.5	8%	0.079	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.4	172	-78.7	166.5	0	0	0	109.7	C16 F59 C61 L87 T88	L5-C16 HydrophobicContact CD1-CB 4.45Å; L5-F59 HydrophobicContact CB-CB 4.32Å; L5-F59 PolarHBondContact N-O 2.77Å; L5-C61 HydrophobicContact CD1-CB 3.67Å; L5-C61 HydrophobicContact CG-CB 4.2Å; L5-L87 WeakPolarHBondContact CA-O 3.18Å; L5-L87 WeakPolarHBondContact CD2-O 3.21Å; L5-T88 HydrophobicContact CD2-CG2 4.42Å
6	L	91.1	Very high	75.1	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	36%	0.364	C	S	.	.	S	Bend	trans	-81.2	-45.8	170.5	-176.1	65.6	0	0	0	111.1	W30 Y33 I34 L37 Y50 Y51 L54 F84 Y85 L87	L6-W30 HydrophobicContact CD1-CH2 4.33Å; L6-Y33 HydrophobicContact CD1-CE1 3.89Å; L6-I34 HydrophobicContact CD1-CD1 4.2Å; L6-L37 HydrophobicContact CD1-CD1 3.95Å; L6-L37 HydrophobicContact CD2-CD1 4.5Å; L6-Y50 PolarHBondContact O-OH 3.24Å; L6-Y50 VanDerWaalsContact O-OH 3.11Å; L6-Y51 HydrophobicContact CD1-CD1 4.37Å; L6-Y51 HydrophobicContact CD1-CE1 4.01Å; L6-Y51 HydrophobicContact CG-CE1 4.34Å; L6-L54 HydrophobicContact CD1-CD2 3.81Å; L6-L54 VanDerWaalsContact O-CD2 3.27Å; L6-L54 WeakPolarHBondContact O-CD2 3.5Å; L6-F84 HydrophobicContact CD2-CD2 3.59Å; L6-F84 HydrophobicContact CD2-CE2 4.19Å; L6-F84 HydrophobicContact CD2-CG 4.48Å; L6-Y85 VanDerWaalsContact CD2-O 3.29Å; L6-Y85 WeakPolarHBondContact CD2-O 3.4Å; L6-L87 HydrophobicContact CB-CB 4.49Å; L6-L87 HydrophobicContact CB-CD1 4.07Å; L6-L87 PolarHBondContact N-O 2.78Å
7	L	86.4	Confident	75.9	Confident	76 Å²	76	62.6 Å²	62.6	40%	0.398	37%	0.366	S	S	.	.			trans	-117.4	129.4	-176.3	-65.5	173.7	0	0	0	109.1	P9 Y50	L7-P9 WeakPolarHBondContact O-CD 3.47Å; L7-Y50 HydrophobicContact CD2-CE1 3.93Å
8	C	80	Confident	76.8	Confident	33 Å²	33	64.8 Å²	64.8	22%	0.223	38%	0.383	C	S	.	.			trans	-105.5	105.5	169.7	-171.6	0	0	0	0	109.8	A10 C16 Y50 F59	C8-A10 PolarHBondContact O-N 3.1Å; C8-C16 WeakPolarHBondContact CA-SG 3.43Å; C8-C16 HydrophobicContact CB-CB 3.91Å; C8-C16 WeakPolarHBondContact CB-SG 3.2Å; C8-C16 WeakPolarHBondContact SG-CB 3.44Å; C8-C16 CovalentContact SG-SG 2.01Å; C8-C16 PolarHBondContact SG-SG 2.83Å; C8-Y50 PolarHBondContact N-OH 2.91Å; C8-F59 HydrophobicContact CB-CD2 4.4Å
9	P	62.7	Low	77.6	Confident	80 Å²	80	62.7 Å²	62.7	52%	0.519	37%	0.371	S	S	.	.			trans	-67.2	124	176.6	22.3	-25.7	0	0	0	109.7	L7 A11 N12	L7-P9 WeakPolarHBondContact O-CD 3.47Å; P9-A11 PolarHBondContact O-N 2.81Å; P9-N12 PolarHBondContact O-N 2.61Å
10	A	52.4	Low	78.4	Confident	85 Å²	85	61.4 Å²	61.4	70%	0.702	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-54.5	-22.5	-178.5	0	0	0	0	0	114	C8	C8-A10 PolarHBondContact O-N 3.1Å
11	A	45.1	Very low	79.1	Confident	92 Å²	92	64 Å²	64	76%	0.76	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-69.7	-27.4	178.6	0	0	0	0	0	114	P9	P9-A11 PolarHBondContact O-N 2.81Å
12	N	51.9	Low	79.5	Confident	95 Å²	95	60.4 Å²	60.4	51%	0.508	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-128.4	57.5	-174.9	-77.9	-3.1	0	0	0	111.3	P9 S14 D15	P9-N12 PolarHBondContact O-N 2.61Å; N12-S14 PolarHBondContact O-N 3.1Å; N12-S14 VanDerWaalsContact O-N 3.1Å; N12-D15 PolarHBondContact O-N 2.94Å
13	Q	53.4	Low	79.6	Confident	145 Å²	145	62.7 Å²	62.7	68%	0.678	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-59.5	-20.2	177	-71.9	-173.4	3.6	0	0	113.7	D15 C16	Q13-D15 PolarHBondContact O-N 3.3Å; Q13-C16 PolarHBondContact O-N 3.34Å; Q13-C16 VanDerWaalsContact O-O 3.08Å
14	S	59.5	Low	79.7	Confident	106 Å²	106	72.1 Å²	72.1	74%	0.741	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-61.2	-29.9	-179.9	57.5	0	0	0	0	113.6	N12	N12-S14 PolarHBondContact O-N 3.1Å; N12-S14 VanDerWaalsContact O-N 3.1Å
15	D	72.8	Confident	79.8	Confident	102 Å²	102	79.1 Å²	79.1	55%	0.545	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-95.4	-11.6	-174.9	-67	-11.6	0	0	0	112.8	N12 Q13 C61	N12-D15 PolarHBondContact O-N 2.94Å; Q13-D15 PolarHBondContact O-N 3.3Å; D15-C61 WeakPolarHBondContact O-CA 3.26Å; D15-C61 VanDerWaalsContact O-CB 3.26Å; D15-C61 WeakPolarHBondContact O-CB 3.33Å
16	C	85.9	Confident	79.9	Confident	20 Å²	20	80.7 Å²	80.7	14%	0.135	46%	0.462	C	S	.	.			trans	-99.7	116.2	172.7	-64.3	0	0	0	0	110.7	L5 C8 Q13	L5-C16 HydrophobicContact CD1-CB 4.45Å; C8-C16 WeakPolarHBondContact CA-SG 3.43Å; C8-C16 HydrophobicContact CB-CB 3.91Å; C8-C16 WeakPolarHBondContact CB-SG 3.2Å; C8-C16 WeakPolarHBondContact SG-CB 3.44Å; C8-C16 CovalentContact SG-SG 2.01Å; C8-C16 PolarHBondContact SG-SG 2.83Å; Q13-C16 PolarHBondContact O-N 3.34Å; Q13-C16 VanDerWaalsContact O-O 3.08Å
17	R	89.1	Confident	80.2	Confident	107 Å²	107	83.6 Å²	83.6	40%	0.404	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	159.6	172.4	61.9	177.7	-165.1	-154	-4.4	110.4	E2 C19 F59 C60 T62	E2-R17 IonicContact OE1-CZ 3.36Å; E2-R17 IonicContact OE1-NE 3.62Å; E2-R17 PolarHBondContact OE1-NE 3.02Å; E2-R17 VanDerWaalsContact OE1-NE 3.09Å; E2-R17 IonicContact OE1-NH2 2.91Å; E2-R17 PolarHBondContact OE1-NH2 2.81Å; R17-C19 PolarHBondContact O-N 2.79Å; R17-F59 CarbonylContact O-C 3.49Å; R17-F59 WeakPolarHBondContact O-CA 3.43Å; R17-C60 WeakPolarHBondContact CG-O 3.3Å; R17-C60 PolarHBondContact N-O 2.81Å; R17-C60 PolarHBondContact O-N 3.42Å; R17-T62 PolarHBondContact NH1-OG1 3.29Å; R17-T62 PolarHBondContact NH2-OG1 3.39Å
18	P	91.4	Very high	80.7	Confident	102 Å²	102	87 Å²	87	66%	0.662	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.7	136.2	167.5	-23.4	33.8	0	0	0	110.3
19	C	92.9	Very high	81.5	Confident	24 Å²	24	86.1 Å²	86.1	16%	0.162	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-65.2	144.9	176.3	-65.9	0	0	0	0	111.7	M4 R17 L22 P58 F59 C60	M4-C19 HydrophobicContact SD-CB 4.48Å; M4-C19 PolarHBondContact SD-SG 2.66Å; R17-C19 PolarHBondContact O-N 2.79Å; C19-L22 HydrophobicContact CB-CD1 4.33Å; C19-P58 HydrophobicContact CB-CB 4.43Å; C19-P58 HydrophobicContact CB-CG 4.14Å; C19-P58 PolarHBondContact N-O 2.82Å; C19-P58 PolarHBondContact SG-O 2.74Å; C19-P58 VanDerWaalsContact SG-O 3.37Å; C19-F59 PolarHBondContact SG-O 3.06Å; C19-C60 VanDerWaalsContact CA-SG 3.58Å; C19-C60 HydrophobicContact CB-CB 3.93Å; C19-C60 WeakPolarHBondContact CB-SG 3.43Å; C19-C60 WeakPolarHBondContact SG-CB 3.47Å; C19-C60 PolarHBondContact SG-N 2.72Å; C19-C60 VanDerWaalsContact SG-N 3.37Å; C19-C60 CovalentContact SG-SG 2.02Å; C19-C60 PolarHBondContact SG-SG 3.08Å
20	S	93	Very high	83.1	Confident	36 Å²	36	82.3 Å²	82.3	25%	0.252	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-63.7	159.2	160.3	66.1	0	0	0	0	110.5	E2 L22 K112 H113	E2-S20 WeakPolarHBondContact OE2-CB 3.26Å; E2-S20 PolarHBondContact OE2-N 3.1Å; E2-S20 PolarHBondContact OE2-OG 2.72Å; S20-L22 PolarHBondContact O-N 3.28Å; S20-K112 WeakPolarHBondContact OG-CE 3.44Å; S20-K112 PolarHBondContact OG-NZ 3.44Å; S20-H113 PolarHBondContact O-CE1 3.33Å
21	P	93.4	Very high	85.2	Confident	117 Å²	117	80.6 Å²	80.6	76%	0.76	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-51.6	129.1	-177.1	-28.3	34.9	0	0	0	112.6
22	L	94.1	Very high	87.7	Confident	25 Å²	25	80.9 Å²	80.9	13%	0.131	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-77.6	153.1	177.2	-68	93.4	0	0	0	110.5	M4 C19 S20 H26 Q27 W30 P58 V116	M4-L22 HydrophobicContact CE-CD2 4.36Å; M4-L22 HydrophobicContact SD-CD2 3.86Å; C19-L22 HydrophobicContact CB-CD1 4.33Å; S20-L22 PolarHBondContact O-N 3.28Å; L22-H26 HydrophobicContact CB-CB 4.14Å; L22-H26 HydrophobicContact CD2-CB 3.93Å; L22-Q27 HydrophobicContact CB-CB 4.23Å; L22-W30 HydrophobicContact CD2-CB 4.49Å; L22-P58 HydrophobicContact CD1-CG 3.87Å; L22-V116 HydrophobicContact CD2-CG2 4.36Å
23	S	95.5	Very high	89.8	Confident	57 Å²	57	76.4 Å²	76.4	40%	0.399	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-61.6	154.6	166.8	79.2	0	0	0	0	110.1	K25 H26 Q27	S23-K25 PolarHBondContact O-N 3.32Å; S23-K25 VanDerWaalsContact O-N 3.15Å; S23-H26 PolarHBondContact O-N 3.33Å; S23-H26 VanDerWaalsContact O-N 3.09Å; S23-H26 WeakPolarHBondContact OG-CB 3.42Å; S23-H26 VanDerWaalsContact OG-CG 3.23Å; S23-H26 PolarHBondContact OG-N 3.24Å; S23-H26 VanDerWaalsContact OG-N 3.12Å; S23-H26 PolarHBondContact OG-ND1 3.23Å; S23-Q27 PolarHBondContact O-N 2.89Å
24	K	96.1	Very high	91.8	Very high	198 Å²	198	69.5 Å²	69.5	86%	0.861	36%	0.359	S	S	*	.	H	α-helix	trans	-54.1	-37.9	178	-69.2	-172.9	-176.7	-177.7	0	112.5	K28	K24-K28 WeakPolarHBondContact O-CB 3.28Å; K24-K28 PolarHBondContact O-N 3.07Å; K24-K28 VanDerWaalsContact O-N 3.1Å
25	K	96.2	Very high	93.4	Very high	147 Å²	147	67.8 Å²	67.8	64%	0.639	34%	0.342	S	S	*	.	H	α-helix	trans	-66.6	-49.4	177.3	-175.6	179.9	177.3	-176.1	0	111.1	S23 K28 N29	S23-K25 PolarHBondContact O-N 3.32Å; S23-K25 VanDerWaalsContact O-N 3.15Å; K25-K28 PolarHBondContact O-N 3.17Å; K25-N29 PolarHBondContact O-N 2.98Å
26	H	96	Very high	94.4	Very high	47 Å²	47	63.9 Å²	63.9	22%	0.218	32%	0.321	C	S	.	.	H	α-helix	trans	-63.8	-41.7	179	-67.1	158.8	0	0	0	111.9	L22 S23 K28 N29 W30 V116	L22-H26 HydrophobicContact CB-CB 4.14Å; L22-H26 HydrophobicContact CD2-CB 3.93Å; S23-H26 PolarHBondContact O-N 3.33Å; S23-H26 VanDerWaalsContact O-N 3.09Å; S23-H26 WeakPolarHBondContact OG-CB 3.42Å; S23-H26 VanDerWaalsContact OG-CG 3.23Å; S23-H26 PolarHBondContact OG-N 3.24Å; S23-H26 VanDerWaalsContact OG-N 3.12Å; S23-H26 PolarHBondContact OG-ND1 3.23Å; H26-K28 PolarHBondContact O-N 2.84Å; H26-N29 PolarHBondContact O-N 2Å; H26-W30 VanDerWaalsContact O-CB 3.28Å; H26-W30 WeakPolarHBondContact O-CB 3.4Å; H26-W30 PolarHBondContact O-N 2.96Å; H26-V116 HydrophobicContact CB-CG1 4.43Å; H26-V116 HydrophobicContact CB-CG2 4.21Å
27	Q	96.4	Very high	94.7	Very high	61 Å²	61	63 Å²	63	29%	0.285	32%	0.315	S	S	.	.	H	α-helix	trans	-60.7	-44.5	176	-172.3	68.8	51.5	0	0	111.9	L22 S23 W30 N31	L22-Q27 HydrophobicContact CB-CB 4.23Å; S23-Q27 PolarHBondContact O-N 2.89Å; Q27-W30 PolarHBondContact O-N 3.43Å; Q27-N31 PolarHBondContact NE2-OD1 2.97Å; Q27-N31 WeakPolarHBondContact O-CB 3.46Å; Q27-N31 PolarHBondContact O-N 3.45Å; Q27-N31 PolarHBondContact O-OD1 3.19Å
28	K	97	Very high	94.8	Very high	149 Å²	149	59 Å²	59	65%	0.648	30%	0.302	S	S	*	.	H	α-helix	trans	-60.1	-47.6	177.4	179.7	-179.8	176	-177.4	0	111.1	K24 K25 H26 N31 R32	K24-K28 WeakPolarHBondContact O-CB 3.28Å; K24-K28 PolarHBondContact O-N 3.07Å; K24-K28 VanDerWaalsContact O-N 3.1Å; K25-K28 PolarHBondContact O-N 3.17Å; H26-K28 PolarHBondContact O-N 2.84Å; K28-N31 PolarHBondContact O-N 2.02Å; K28-R32 WeakPolarHBondContact O-CB 3.15Å; K28-R32 PolarHBondContact O-N 3.27Å
29	N	97.3	Very high	94.7	Very high	13 Å²	13	57.1 Å²	57.1	7%	0.07	29%	0.291	C	S	.	.	H	α-helix	trans	-67.5	-40.2	-179.8	-75.8	11.7	0	0	0	112	K25 H26 R32 Y33 V116 P117 L122	K25-N29 PolarHBondContact O-N 2.98Å; H26-N29 PolarHBondContact O-N 2Å; N29-R32 PolarHBondContact O-N 3.06Å; N29-Y33 WeakPolarHBondContact O-CB 3Å; N29-Y33 PolarHBondContact O-N 2.92Å; N29-V116 HydrophobicContact CB-CG1 3.74Å; N29-P117 WeakPolarHBondContact CB-O 3.47Å; N29-P117 PolarHBondContact ND2-O 3.01Å; N29-L122 HydrophobicContact CB-CD1 4.19Å
30	W	96.6	Very high	94.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60	-49.1	174.7	178.7	-112.3	0	0	0	112	M4 L6 L22 H26 Q27 R32 Y33 I34 L54 P58 L87	M4-W30 HydrophobicContact CE-CD2 3.29Å; M4-W30 HydrophobicContact CE-CE3 3.38Å; M4-W30 HydrophobicContact CE-CG 3.95Å; M4-W30 HydrophobicContact CE-CH2 3.45Å; M4-W30 VanDerWaalsContact CE-CH2 3.45Å; M4-W30 HydrophobicContact CE-CZ2 3.36Å; M4-W30 HydrophobicContact CE-CZ3 3.48Å; M4-W30 VanDerWaalsContact CE-CZ3 3.48Å; L6-W30 HydrophobicContact CD1-CH2 4.33Å; L22-W30 HydrophobicContact CD2-CB 4.49Å; H26-W30 VanDerWaalsContact O-CB 3.28Å; H26-W30 WeakPolarHBondContact O-CB 3.4Å; H26-W30 PolarHBondContact O-N 2.96Å; Q27-W30 PolarHBondContact O-N 3.43Å; W30-R32 VanDerWaalsContact C-N 3.29Å; W30-R32 PolarHBondContact O-N 2.02Å; W30-Y33 AromaticContact CE3-CD1 3.91Å; W30-Y33 HydrophobicContact CE3-CD1 3.91Å; W30-Y33 AromaticContact CZ3-CD1 3.76Å; W30-Y33 HydrophobicContact CZ3-CD1 3.76Å; W30-Y33 HydrophobicContact CZ3-CE1 4.13Å; W30-Y33 WeakPolarHBondContact O-CB 3.05Å; W30-Y33 PolarHBondContact O-N 2.91Å; W30-Y33 VanDerWaalsContact O-N 3.13Å; W30-I34 HydrophobicContact CD2-CG1 4.24Å; W30-I34 HydrophobicContact CH2-CD1 4.06Å; W30-I34 HydrophobicContact CZ2-CD1 3.91Å; W30-I34 HydrophobicContact CZ2-CG1 4.2Å; W30-I34 HydrophobicContact CZ3-CD1 4.43Å; W30-I34 WeakPolarHBondContact O-CG1 2.93Å; W30-I34 PolarHBondContact O-N 3.09Å; W30-L54 HydrophobicContact CH2-CD2 4.12Å; W30-L54 HydrophobicContact CH2-CG 4.46Å; W30-L54 HydrophobicContact CZ2-CD2 3.94Å; W30-L54 HydrophobicContact CZ2-CG 3.83Å; W30-L54 PolarHBondContact NE1-O 2.98Å; W30-P58 HydrophobicContact CZ2-CB 4.05Å; W30-L87 HydrophobicContact CZ3-CD1 4.37Å; W30-L87 HydrophobicContact CZ3-CD2 4.07Å
31	N	96.4	Very high	94.1	Very high	50 Å²	50	57.2 Å²	57.2	27%	0.267	29%	0.285	S	S	.	.	H	α-helix	trans	-58.7	-45.2	178	-72.3	-1.2	0	0	0	111	Q27 K28 Y33 I34 D35	Q27-N31 PolarHBondContact NE2-OD1 2.97Å; Q27-N31 WeakPolarHBondContact O-CB 3.46Å; Q27-N31 PolarHBondContact O-N 3.45Å; Q27-N31 PolarHBondContact O-OD1 3.19Å; K28-N31 PolarHBondContact O-N 2.02Å; N31-Y33 VanDerWaalsContact C-N 3.33Å; N31-Y33 PolarHBondContact O-N 3.4Å; N31-I34 PolarHBondContact O-N 2.01Å; N31-D35 WeakPolarHBondContact O-CB 3.31Å; N31-D35 PolarHBondContact O-N 2.78Å; N31-D35 VanDerWaalsContact O-OD2 3.13Å
32	R	96.2	Very high	93.5	Very high	98 Å²	98	56.2 Å²	56.2	37%	0.37	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-37.9	177.3	-173.8	172.6	-177.7	177.6	0.7	112.1	K28 N29 W30 D35 L36 L122	K28-R32 WeakPolarHBondContact O-CB 3.15Å; K28-R32 PolarHBondContact O-N 3.27Å; N29-R32 PolarHBondContact O-N 3.06Å; W30-R32 VanDerWaalsContact C-N 3.29Å; W30-R32 PolarHBondContact O-N 2.02Å; R32-D35 PolarHBondContact O-N 3.38Å; R32-L36 HydrophobicContact CG-CD1 4.23Å; R32-L36 WeakPolarHBondContact O-CG 3.41Å; R32-L36 PolarHBondContact O-N 3.34Å; R32-L122 HydrophobicContact CB-CD1 4.13Å; R32-L122 HydrophobicContact CG-CD1 4.13Å
33	Y	96.6	Very high	92.8	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.5	-51.5	176.7	179.4	-136.8	0	0	0	111.3	L6 N29 W30 N31 D35 L36 L37 Y85 L87 P117 L122 L125	L6-Y33 HydrophobicContact CD1-CE1 3.89Å; N29-Y33 WeakPolarHBondContact O-CB 3Å; N29-Y33 PolarHBondContact O-N 2.92Å; W30-Y33 AromaticContact CE3-CD1 3.91Å; W30-Y33 HydrophobicContact CE3-CD1 3.91Å; W30-Y33 AromaticContact CZ3-CD1 3.76Å; W30-Y33 HydrophobicContact CZ3-CD1 3.76Å; W30-Y33 HydrophobicContact CZ3-CE1 4.13Å; W30-Y33 WeakPolarHBondContact O-CB 3.05Å; W30-Y33 PolarHBondContact O-N 2.91Å; W30-Y33 VanDerWaalsContact O-N 3.13Å; N31-Y33 VanDerWaalsContact C-N 3.33Å; N31-Y33 PolarHBondContact O-N 3.4Å; Y33-D35 VanDerWaalsContact C-N 3.3Å; Y33-D35 PolarHBondContact O-N 3.13Å; Y33-L36 WeakPolarHBondContact O-CB 3.04Å; Y33-L36 PolarHBondContact O-N 2.87Å; Y33-L36 VanDerWaalsContact O-N 3.15Å; Y33-L37 HydrophobicContact CD2-CG 4.33Å; Y33-L37 HydrophobicContact CE1-CD1 4.09Å; Y33-L37 HydrophobicContact CE2-CD1 3.99Å; Y33-L37 HydrophobicContact CE2-CD2 3.84Å; Y33-L37 HydrophobicContact CE2-CG 3.84Å; Y33-L37 PolarHBondContact O-N 2.86Å; Y33-Y85 HydrophobicContact CE2-CD2 4.12Å; Y33-Y85 WeakPolarHBondContact OH-CA 3.33Å; Y33-Y85 PolarHBondContact OH-N 2.77Å; Y33-Y85 PolarHBondContact OH-O 3.27Å; Y33-L87 HydrophobicContact CD1-CD1 4.36Å; Y33-L87 HydrophobicContact CE1-CD1 3.55Å; Y33-P117 HydrophobicContact CD1-CG 4.2Å; Y33-P117 HydrophobicContact CD2-CG 4.32Å; Y33-P117 HydrophobicContact CG-CG 4.06Å; Y33-L122 HydrophobicContact CD2-CD2 3.74Å; Y33-L122 HydrophobicContact CG-CD2 4.03Å; Y33-L125 HydrophobicContact CD2-CD1 3.55Å; Y33-L125 HydrophobicContact CE2-CD1 3.35Å
34	I	95.4	Very high	91.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-38.6	178.3	-59.4	-56.3	0	0	0	111.4	L6 W30 N31 L36 L37 L38 Y51 L54 K55	L6-I34 HydrophobicContact CD1-CD1 4.2Å; W30-I34 HydrophobicContact CD2-CG1 4.24Å; W30-I34 HydrophobicContact CH2-CD1 4.06Å; W30-I34 HydrophobicContact CZ2-CD1 3.91Å; W30-I34 HydrophobicContact CZ2-CG1 4.2Å; W30-I34 HydrophobicContact CZ3-CD1 4.43Å; W30-I34 WeakPolarHBondContact O-CG1 2.93Å; W30-I34 PolarHBondContact O-N 3.09Å; N31-I34 PolarHBondContact O-N 2.01Å; I34-L36 VanDerWaalsContact C-N 3.31Å; I34-L36 PolarHBondContact O-N 3.37Å; I34-L37 HydrophobicContact CD1-CD1 4.23Å; I34-L37 PolarHBondContact O-N 2.93Å; I34-L38 HydrophobicContact CG2-CD1 4.04Å; I34-L38 HydrophobicContact CG2-CG 4.46Å; I34-L38 WeakPolarHBondContact O-CG 3.5Å; I34-L38 PolarHBondContact O-N 2.92Å; I34-Y51 VanDerWaalsContact CG2-O 3.26Å; I34-Y51 WeakPolarHBondContact CG2-O 3.34Å; I34-L54 HydrophobicContact CD1-CD2 4.02Å; I34-K55 HydrophobicContact CB-CB 4.29Å; I34-K55 HydrophobicContact CB-CG 4.24Å; I34-K55 HydrophobicContact CG1-CB 4.44Å; I34-K55 HydrophobicContact CG2-CB 3.89Å; I34-K55 HydrophobicContact CG2-CD 4.41Å; I34-K55 HydrophobicContact CG2-CG 4.27Å
35	D	93.9	Very high	90.5	Very high	71 Å²	71	58.5 Å²	58.5	38%	0.38	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-39.4	175.2	-71.9	-27.8	0	0	0	112.1	N31 R32 Y33 L38 S39 K55	N31-D35 WeakPolarHBondContact O-CB 3.31Å; N31-D35 PolarHBondContact O-N 2.78Å; N31-D35 VanDerWaalsContact O-OD2 3.13Å; R32-D35 PolarHBondContact O-N 3.38Å; Y33-D35 VanDerWaalsContact C-N 3.3Å; Y33-D35 PolarHBondContact O-N 3.13Å; D35-L38 PolarHBondContact O-N 2.76Å; D35-S39 WeakPolarHBondContact O-CB 3.35Å; D35-S39 PolarHBondContact O-N 3.2Å; D35-S39 PolarHBondContact O-OG 2.87Å; D35-K55 WeakPolarHBondContact OD1-CE 3.36Å; D35-K55 IonicContact OD1-NZ 2.96Å; D35-K55 PolarHBondContact OD1-NZ 3.08Å; D35-K55 IonicContact OD2-NZ 2.96Å; D35-K55 PolarHBondContact OD2-NZ 2.95Å
36	L	93.3	Very high	89.4	Confident	19 Å²	19	58 Å²	58	10%	0.099	28%	0.281	C	S	.	.	H	α-helix	trans	-66.1	-41.7	175.8	-74.8	166.3	0	0	0	112.3	R32 Y33 I34 L38 S39 N40 L122 L125 V126	R32-L36 HydrophobicContact CG-CD1 4.23Å; R32-L36 WeakPolarHBondContact O-CG 3.41Å; R32-L36 PolarHBondContact O-N 3.34Å; Y33-L36 WeakPolarHBondContact O-CB 3.04Å; Y33-L36 PolarHBondContact O-N 2.87Å; Y33-L36 VanDerWaalsContact O-N 3.15Å; I34-L36 VanDerWaalsContact C-N 3.31Å; I34-L36 PolarHBondContact O-N 3.37Å; L36-L38 VanDerWaalsContact C-N 3.31Å; L36-L38 PolarHBondContact O-N 3.33Å; L36-S39 WeakPolarHBondContact CA-OG 3.2Å; L36-S39 PolarHBondContact O-N 2.95Å; L36-S39 PolarHBondContact O-OG 3.27Å; L36-N40 VanDerWaalsContact O-CB 3.31Å; L36-N40 WeakPolarHBondContact O-CB 3.05Å; L36-N40 PolarHBondContact O-N 3.35Å; L36-N40 PolarHBondContact O-ND2 3.13Å; L36-L122 HydrophobicContact CD1-CB 4.04Å; L36-L122 HydrophobicContact CD1-CD2 4.1Å; L36-L122 WeakPolarHBondContact CD1-O 3.36Å; L36-L125 HydrophobicContact CD1-CB 4.33Å; L36-V126 HydrophobicContact CD2-CG2 3.9Å
37	L	92.3	Very high	88.3	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-59	-44.5	174.9	-66.4	179.8	0	0	0	111.4	L6 Y33 I34 W41 Y51 P81 F84	L6-L37 HydrophobicContact CD1-CD1 3.95Å; L6-L37 HydrophobicContact CD2-CD1 4.5Å; Y33-L37 HydrophobicContact CD2-CG 4.33Å; Y33-L37 HydrophobicContact CE1-CD1 4.09Å; Y33-L37 HydrophobicContact CE2-CD1 3.99Å; Y33-L37 HydrophobicContact CE2-CD2 3.84Å; Y33-L37 HydrophobicContact CE2-CG 3.84Å; Y33-L37 PolarHBondContact O-N 2.86Å; I34-L37 HydrophobicContact CD1-CD1 4.23Å; I34-L37 PolarHBondContact O-N 2.93Å; L37-W41 PolarHBondContact O-N 2.98Å; L37-Y51 HydrophobicContact CD1-CD1 4.08Å; L37-Y51 HydrophobicContact CD1-CE1 4.01Å; L37-P81 HydrophobicContact CD2-CB 4.08Å; L37-P81 HydrophobicContact CD2-CG 4.13Å; L37-F84 HydrophobicContact CD2-CB 3.47Å; L37-F84 VanDerWaalsContact CD2-CB 3.47Å
38	L	91	Very high	87.5	Confident	24 Å²	24	56.4 Å²	56.4	13%	0.126	28%	0.277	C	S	.	.	H	α-helix	trans	-71.1	-36.2	178.3	-66.2	171.5	0	0	0	112.4	I34 D35 L36 N40 W41 K44 L47 R52	I34-L38 HydrophobicContact CG2-CD1 4.04Å; I34-L38 HydrophobicContact CG2-CG 4.46Å; I34-L38 WeakPolarHBondContact O-CG 3.5Å; I34-L38 PolarHBondContact O-N 2.92Å; D35-L38 PolarHBondContact O-N 2.76Å; L36-L38 VanDerWaalsContact C-N 3.31Å; L36-L38 PolarHBondContact O-N 3.33Å; L38-N40 VanDerWaalsContact C-N 3.3Å; L38-N40 PolarHBondContact O-N 2.02Å; L38-W41 WeakPolarHBondContact O-CB 3.06Å; L38-W41 PolarHBondContact O-N 3.37Å; L38-K44 PolarHBondContact O-NZ 2.88Å; L38-L47 HydrophobicContact CB-CD2 4.17Å; L38-L47 HydrophobicContact CD2-CD2 3.81Å; L38-R52 HydrophobicContact CD1-CG 4.04Å
39	S	88.4	Confident	87	Confident	63 Å²	63	53.7 Å²	53.7	44%	0.441	27%	0.274	S	S	.	.	H	α-helix	trans	-71.3	-26.7	177.6	71.4	0	0	0	0	112.6	D35 L36 K44	D35-S39 WeakPolarHBondContact O-CB 3.35Å; D35-S39 PolarHBondContact O-N 3.2Å; D35-S39 PolarHBondContact O-OG 2.87Å; L36-S39 WeakPolarHBondContact CA-OG 3.2Å; L36-S39 PolarHBondContact O-N 2.95Å; L36-S39 PolarHBondContact O-OG 3.27Å; S39-K44 PolarHBondContact O-NZ 3.04Å
40	N	87.4	Confident	86.6	Confident	33 Å²	33	56.5 Å²	56.5	18%	0.176	28%	0.284	C	S	.	.	H	α-helix	trans	-87.4	-12.4	179.1	-67.8	-8.1	0	0	0	113.7	L36 L38 E42 L125	L36-N40 VanDerWaalsContact O-CB 3.31Å; L36-N40 WeakPolarHBondContact O-CB 3.05Å; L36-N40 PolarHBondContact O-N 3.35Å; L36-N40 PolarHBondContact O-ND2 3.13Å; L38-N40 VanDerWaalsContact C-N 3.3Å; L38-N40 PolarHBondContact O-N 2.02Å; N40-E42 PolarHBondContact O-N 2.9Å; N40-L125 PolarHBondContact ND2-O 3.49Å
41	W	86.9	Confident	86.2	Confident	28 Å²	28	57.4 Å²	57.4	11%	0.106	29%	0.287	C	S	.	.			trans	-59.2	123.5	175.3	-144.1	-80.6	0	0	0	110.9	L37 L38 K44 L47 P48 Y51 E80 P81	L37-W41 PolarHBondContact O-N 2.98Å; L38-W41 WeakPolarHBondContact O-CB 3.06Å; L38-W41 PolarHBondContact O-N 3.37Å; W41-K44 WeakPolarHBondContact O-CD 2.76Å; W41-K44 WeakPolarHBondContact O-CE 2.96Å; W41-K44 PolarHBondContact O-NZ 3.39Å; W41-L47 HydrophobicContact CB-CD2 3.96Å; W41-L47 HydrophobicContact CG-CD2 4.27Å; W41-P48 HydrophobicContact CD2-CG 4.02Å; W41-P48 HydrophobicContact CE3-CG 4.09Å; W41-P48 HydrophobicContact CH2-CG 3.4Å; W41-P48 HydrophobicContact CZ2-CG 3.28Å; W41-P48 HydrophobicContact CZ3-CG 3.79Å; W41-Y51 HydrophobicContact CH2-CD2 4.38Å; W41-Y51 AromaticContact CH2-CE2 3.71Å; W41-Y51 HydrophobicContact CH2-CE2 3.71Å; W41-Y51 AromaticContact CZ3-CD2 3.91Å; W41-Y51 HydrophobicContact CZ3-CD2 3.91Å; W41-Y51 AromaticContact CZ3-CE2 3.44Å; W41-Y51 HydrophobicContact CZ3-CE2 3.44Å; W41-Y51 VanDerWaalsContact CZ3-CE2 3.44Å; W41-E80 HydrophobicContact CD2-CB 4.02Å; W41-E80 HydrophobicContact CE3-CB 4.35Å; W41-E80 VanDerWaalsContact CH2-C 3.48Å; W41-E80 HydrophobicContact CH2-CB 3.87Å; W41-E80 WeakPolarHBondContact CH2-O 3.02Å; W41-E80 HydrophobicContact CZ2-CB 3.5Å; W41-E80 VanDerWaalsContact CZ2-CB 3.5Å; W41-E80 HydrophobicContact CZ3-CB 4.3Å; W41-E80 PolarHBondContact NE1-OE2 2.93Å; W41-P81 HydrophobicContact CE3-CB 4.29Å; W41-P81 HydrophobicContact CZ3-CB 3.94Å; W41-P81 HydrophobicContact CZ3-CG 4.01Å
42	E	80.9	Confident	85.9	Confident	96 Å²	96	61.5 Å²	61.5	45%	0.449	30%	0.299	S	S	.	.	S	Bend	trans	-71.1	-46.6	-178.4	-71.2	176.7	167.8	0	0	110.7	N40 K44 E80 R82	N40-E42 PolarHBondContact O-N 2.9Å; E42-K44 PolarHBondContact O-N 3.29Å; E42-E80 VanDerWaalsContact CB-OE1 3.28Å; E42-E80 WeakPolarHBondContact CB-OE1 2.99Å; E42-E80 WeakPolarHBondContact CG-OE1 3.37Å; E42-E80 VanDerWaalsContact N-CD 3.31Å; E42-E80 PolarHBondContact N-OE1 3.02Å; E42-E80 PolarHBondContact N-OE2 2.84Å; E42-E80 VanDerWaalsContact N-OE2 3.16Å; E42-R82 VanDerWaalsContact CD-CZ 3.48Å; E42-R82 IonicContact OE1-CZ 2.72Å; E42-R82 IonicContact OE1-NE 3.65Å; E42-R82 PolarHBondContact OE1-NE 3.4Å; E42-R82 IonicContact OE1-NH1 2.81Å; E42-R82 PolarHBondContact OE1-NH1 3.37Å; E42-R82 IonicContact OE1-NH2 3.42Å; E42-R82 PolarHBondContact OE1-NH2 3.07Å; E42-R82 IonicContact OE2-CZ 3.64Å; E42-R82 IonicContact OE2-NE 2.67Å; E42-R82 IonicContact OE2-NH2 3.49Å; E42-R82 PolarHBondContact OE2-NH2 3.13Å
43	D	80.2	Confident	85.6	Confident	64 Å²	64	62.9 Å²	62.9	34%	0.342	31%	0.31	S	S	.	.			trans	-78.8	90.7	175.8	-171	-11.9	0	0	0	111.5	L45 H46 E80	D43-L45 PolarHBondContact O-N 2.91Å; D43-L45 WeakPolarHBondContact OD1-CA 3.43Å; D43-L45 WeakPolarHBondContact OD1-CB 3.39Å; D43-L45 PolarHBondContact OD1-N 3.24Å; D43-H46 PolarHBondContact OD1-N 3.16Å; D43-H46 VanDerWaalsContact OD1-N 3.07Å; D43-H46 IonicContact OD1-ND1 3.89Å; D43-H46 PolarHBondContact OD1-ND1 3.33Å; D43-H46 IonicContact OD2-CE1 3.39Å; D43-H46 IonicContact OD2-CG 2.61Å; D43-H46 IonicContact OD2-ND1 2.74Å; D43-H46 PolarHBondContact OD2-ND1 2.77Å; D43-E80 PolarHBondContact N-OE2 3.04Å
44	K	76.3	Confident	85.3	Confident	106 Å²	106	63 Å²	63	46%	0.461	31%	0.31	S	S	.	.	S	Bend	trans	-68.4	-21.1	176	-61.6	-52.8	-172	-160.8	0	113.9	L38 S39 W41 E42 L47	L38-K44 PolarHBondContact O-NZ 2.88Å; S39-K44 PolarHBondContact O-NZ 3.04Å; W41-K44 WeakPolarHBondContact O-CD 2.76Å; W41-K44 WeakPolarHBondContact O-CE 2.96Å; W41-K44 PolarHBondContact O-NZ 3.39Å; E42-K44 PolarHBondContact O-N 3.29Å; K44-L47 WeakPolarHBondContact O-CD1 3.45Å
45	L	66.7	Low	85.2	Confident	158 Å²	158	65.8 Å²	65.8	83%	0.827	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-35	-179.9	-78.5	124.6	0	0	0	111.5	D43	D43-L45 PolarHBondContact O-N 2.91Å; D43-L45 WeakPolarHBondContact OD1-CA 3.43Å; D43-L45 WeakPolarHBondContact OD1-CB 3.39Å; D43-L45 PolarHBondContact OD1-N 3.24Å
46	H	72.2	Confident	85.1	Confident	138 Å²	138	65.6 Å²	65.6	64%	0.639	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	48.8	-177.3	-52.8	96.1	0	0	0	112.8	D43	D43-H46 PolarHBondContact OD1-N 3.16Å; D43-H46 VanDerWaalsContact OD1-N 3.07Å; D43-H46 IonicContact OD1-ND1 3.89Å; D43-H46 PolarHBondContact OD1-ND1 3.33Å; D43-H46 IonicContact OD2-CE1 3.39Å; D43-H46 IonicContact OD2-CG 2.61Å; D43-H46 IonicContact OD2-ND1 2.74Å; D43-H46 PolarHBondContact OD2-ND1 2.77Å
47	L	72.2	Confident	85	Confident	42 Å²	42	71.1 Å²	71.1	22%	0.22	36%	0.356	C	S	.	.			trans	-57.3	128.6	173.8	-82.5	156.6	0	0	0	110.9	L38 W41 K44 T49	L38-L47 HydrophobicContact CB-CD2 4.17Å; L38-L47 HydrophobicContact CD2-CD2 3.81Å; W41-L47 HydrophobicContact CB-CD2 3.96Å; W41-L47 HydrophobicContact CG-CD2 4.27Å; K44-L47 WeakPolarHBondContact O-CD1 3.45Å; L47-T49 PolarHBondContact O-N 3.11Å
48	P	80.5	Confident	85.1	Confident	31 Å²	31	71.8 Å²	71.8	20%	0.201	36%	0.36	C	S	.	.			trans	-66.2	127	-176.1	-12	22.4	0	0	0	111.1	W41 Y50 Y51	W41-P48 HydrophobicContact CD2-CG 4.02Å; W41-P48 HydrophobicContact CE3-CG 4.09Å; W41-P48 HydrophobicContact CH2-CG 3.4Å; W41-P48 HydrophobicContact CZ2-CG 3.28Å; W41-P48 HydrophobicContact CZ3-CG 3.79Å; P48-Y50 PolarHBondContact O-N 3.23Å; P48-Y51 HydrophobicContact CB-CD2 3.87Å; P48-Y51 HydrophobicContact CB-CE2 4.35Å; P48-Y51 HydrophobicContact CG-CD2 3.87Å; P48-Y51 HydrophobicContact CG-CE2 4.15Å
49	T	86.4	Confident	85.2	Confident	93 Å²	93	73.7 Å²	73.7	57%	0.571	37%	0.368	S	S	*	.	H	α-helix	trans	-58.9	-34.7	172.6	41.2	0	0	0	0	111.8	L47 Y51 R52 E53	L47-T49 PolarHBondContact O-N 3.11Å; T49-Y51 PolarHBondContact O-N 2.02Å; T49-R52 PolarHBondContact O-N 2.8Å; T49-R52 VanDerWaalsContact O-N 3.09Å; T49-E53 PolarHBondContact O-N 2.85Å
50	Y	88.6	Confident	85.4	Confident	72 Å²	72	70.7 Å²	70.7	28%	0.282	35%	0.347	S	S	.	.	H	α-helix	trans	-48	-53.8	179.4	-179.9	-101.8	0	0	0	113.3	L6 L7 C8 P48 R52 E53 L54	L6-Y50 PolarHBondContact O-OH 3.24Å; L6-Y50 VanDerWaalsContact O-OH 3.11Å; L7-Y50 HydrophobicContact CD2-CE1 3.93Å; C8-Y50 PolarHBondContact N-OH 2.91Å; P48-Y50 PolarHBondContact O-N 3.23Å; Y50-R52 VanDerWaalsContact C-N 3.35Å; Y50-R52 PolarHBondContact O-N 3.37Å; Y50-E53 PolarHBondContact O-N 2.8Å; Y50-L54 HydrophobicContact CE1-CD2 4.21Å; Y50-L54 VanDerWaalsContact O-CB 3.3Å; Y50-L54 WeakPolarHBondContact O-CB 3.19Å; Y50-L54 PolarHBondContact O-N 3.37Å
51	Y	89.6	Confident	85.6	Confident	19 Å²	19	69.4 Å²	69.4	8%	0.075	34%	0.34	C	S	.	.	H	α-helix	trans	-69.2	-32.5	-177.3	-67.6	-73.3	0	0	0	112.5	L6 I34 L37 W41 P48 T49 L54 K55 P81	L6-Y51 HydrophobicContact CD1-CD1 4.37Å; L6-Y51 HydrophobicContact CD1-CE1 4.01Å; L6-Y51 HydrophobicContact CG-CE1 4.34Å; I34-Y51 VanDerWaalsContact CG2-O 3.26Å; I34-Y51 WeakPolarHBondContact CG2-O 3.34Å; L37-Y51 HydrophobicContact CD1-CD1 4.08Å; L37-Y51 HydrophobicContact CD1-CE1 4.01Å; W41-Y51 HydrophobicContact CH2-CD2 4.38Å; W41-Y51 AromaticContact CH2-CE2 3.71Å; W41-Y51 HydrophobicContact CH2-CE2 3.71Å; W41-Y51 AromaticContact CZ3-CD2 3.91Å; W41-Y51 HydrophobicContact CZ3-CD2 3.91Å; W41-Y51 AromaticContact CZ3-CE2 3.44Å; W41-Y51 HydrophobicContact CZ3-CE2 3.44Å; W41-Y51 VanDerWaalsContact CZ3-CE2 3.44Å; P48-Y51 HydrophobicContact CB-CD2 3.87Å; P48-Y51 HydrophobicContact CB-CE2 4.35Å; P48-Y51 HydrophobicContact CG-CD2 3.87Å; P48-Y51 HydrophobicContact CG-CE2 4.15Å; T49-Y51 PolarHBondContact O-N 2.02Å; Y51-L54 HydrophobicContact CD1-CD2 4.34Å; Y51-L54 PolarHBondContact O-N 3.33Å; Y51-K55 PolarHBondContact O-N 3.24Å; Y51-P81 WeakPolarHBondContact OH-CD 3.43Å
52	R	89	Confident	85.7	Confident	136 Å²	136	71.5 Å²	71.5	51%	0.513	36%	0.356	S	S	.	.	H	α-helix	trans	-65.2	-43.2	175.4	-63.6	-173.7	-162.1	156.8	3	111.4	L38 T49 Y50 L54 K55	L38-R52 HydrophobicContact CD1-CG 4.04Å; T49-R52 PolarHBondContact O-N 2.8Å; T49-R52 VanDerWaalsContact O-N 3.09Å; Y50-R52 VanDerWaalsContact C-N 3.35Å; Y50-R52 PolarHBondContact O-N 3.37Å; R52-L54 VanDerWaalsContact C-N 3.34Å; R52-K55 WeakPolarHBondContact O-CB 3.06Å; R52-K55 PolarHBondContact O-N 3.32Å
53	E	90.2	Very high	85.9	Confident	126 Å²	126	67.7 Å²	67.7	59%	0.589	34%	0.339	S	S	*	.	H	α-helix	trans	-64.5	-42.1	175.5	-71.5	177.1	-172.5	0	0	111.1	T49 Y50 K55 A56 H57	T49-E53 PolarHBondContact O-N 2.85Å; Y50-E53 PolarHBondContact O-N 2.8Å; E53-K55 PolarHBondContact O-N 3.21Å; E53-A56 PolarHBondContact O-N 2.58Å; E53-H57 PolarHBondContact O-N 2.91Å
54	L	90.7	Very high	86.2	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-61.3	-30.4	178.3	-167.7	73	0	0	0	113	L6 W30 I34 Y50 Y51 R52 A56 H57 P58 F59	L6-L54 HydrophobicContact CD1-CD2 3.81Å; L6-L54 VanDerWaalsContact O-CD2 3.27Å; L6-L54 WeakPolarHBondContact O-CD2 3.5Å; W30-L54 HydrophobicContact CH2-CD2 4.12Å; W30-L54 HydrophobicContact CH2-CG 4.46Å; W30-L54 HydrophobicContact CZ2-CD2 3.94Å; W30-L54 HydrophobicContact CZ2-CG 3.83Å; W30-L54 PolarHBondContact NE1-O 2.98Å; I34-L54 HydrophobicContact CD1-CD2 4.02Å; Y50-L54 HydrophobicContact CE1-CD2 4.21Å; Y50-L54 VanDerWaalsContact O-CB 3.3Å; Y50-L54 WeakPolarHBondContact O-CB 3.19Å; Y50-L54 PolarHBondContact O-N 3.37Å; Y51-L54 HydrophobicContact CD1-CD2 4.34Å; Y51-L54 PolarHBondContact O-N 3.33Å; R52-L54 VanDerWaalsContact C-N 3.34Å; L54-A56 VanDerWaalsContact C-N 3.34Å; L54-H57 CarbonylContact O-C 3.53Å; L54-P58 WeakPolarHBondContact O-CA 3.38Å; L54-F59 HydrophobicContact CD1-CD2 3.4Å; L54-F59 VanDerWaalsContact CD1-CD2 3.4Å; L54-F59 HydrophobicContact CD1-CE2 3.92Å; L54-F59 HydrophobicContact CD1-CG 4.37Å
55	K	92.9	Very high	86.6	Confident	59 Å²	59	67.5 Å²	67.5	26%	0.257	36%	0.359	S	S	.	.	H	α-helix	trans	-61.3	-42.6	172.7	-163.9	179.1	-177.9	179.1	0	112	I34 D35 Y51 R52 E53	I34-K55 HydrophobicContact CB-CB 4.29Å; I34-K55 HydrophobicContact CB-CG 4.24Å; I34-K55 HydrophobicContact CG1-CB 4.44Å; I34-K55 HydrophobicContact CG2-CB 3.89Å; I34-K55 HydrophobicContact CG2-CD 4.41Å; I34-K55 HydrophobicContact CG2-CG 4.27Å; D35-K55 WeakPolarHBondContact OD1-CE 3.36Å; D35-K55 IonicContact OD1-NZ 2.96Å; D35-K55 PolarHBondContact OD1-NZ 3.08Å; D35-K55 IonicContact OD2-NZ 2.96Å; D35-K55 PolarHBondContact OD2-NZ 2.95Å; Y51-K55 PolarHBondContact O-N 3.24Å; R52-K55 WeakPolarHBondContact O-CB 3.06Å; R52-K55 PolarHBondContact O-N 3.32Å; E53-K55 PolarHBondContact O-N 3.21Å
56	A	91.3	Very high	87.5	Confident	68 Å²	68	62.2 Å²	62.2	56%	0.562	34%	0.342	S	S	*	.	H	α-helix	trans	-82.5	-36.5	-178.1	0	0	0	0	0	112.3	E53 L54 P58	E53-A56 PolarHBondContact O-N 2.58Å; L54-A56 VanDerWaalsContact C-N 3.34Å; A56-P58 WeakPolarHBondContact O-CD 3.33Å
57	H	91.8	Very high	88.3	Confident	135 Å²	135	60.1 Å²	60.1	63%	0.625	33%	0.33	S	S	*	.	S	Bend	trans	-127.8	75.2	-174.9	-52.4	102.3	0	0	0	110.2	E53 L54	E53-H57 PolarHBondContact O-N 2.91Å; L54-H57 CarbonylContact O-C 3.53Å
58	P	93.7	Very high	89.2	Confident	14 Å²	14	58.7 Å²	58.7	9%	0.091	32%	0.323	C	S	.	.			trans	-65.8	144.2	-179.8	24.2	-31.8	0	0	0	112	M4 C19 L22 W30 L54 A56	M4-P58 HydrophobicContact CE-CB 3.52Å; M4-P58 HydrophobicContact SD-CB 4.19Å; C19-P58 HydrophobicContact CB-CB 4.43Å; C19-P58 HydrophobicContact CB-CG 4.14Å; C19-P58 PolarHBondContact N-O 2.82Å; C19-P58 PolarHBondContact SG-O 2.74Å; C19-P58 VanDerWaalsContact SG-O 3.37Å; L22-P58 HydrophobicContact CD1-CG 3.87Å; W30-P58 HydrophobicContact CZ2-CB 4.05Å; L54-P58 WeakPolarHBondContact O-CA 3.38Å; A56-P58 WeakPolarHBondContact O-CD 3.33Å
59	F	93.3	Very high	89.8	Confident	65 Å²	65	57.2 Å²	57.2	29%	0.285	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	146.3	173.5	-63.7	-65.4	0	0	0	111.6	L5 C8 R17 C19 L54	L5-F59 HydrophobicContact CB-CB 4.32Å; L5-F59 PolarHBondContact N-O 2.77Å; C8-F59 HydrophobicContact CB-CD2 4.4Å; R17-F59 CarbonylContact O-C 3.49Å; R17-F59 WeakPolarHBondContact O-CA 3.43Å; C19-F59 PolarHBondContact SG-O 3.06Å; L54-F59 HydrophobicContact CD1-CD2 3.4Å; L54-F59 VanDerWaalsContact CD1-CD2 3.4Å; L54-F59 HydrophobicContact CD1-CE2 3.92Å; L54-F59 HydrophobicContact CD1-CG 4.37Å
60	C	93.4	Very high	90.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	159.1	178.9	-79.9	0	0	0	0	111.1	E2 C3 M4 R17 C19	E2-C60 HydrophobicContact CG-CB 3.39Å; C3-C60 CarbonylContact O-C 3.51Å; C3-C60 WeakPolarHBondContact O-CA 3.4Å; C3-C60 WeakPolarHBondContact O-CB 3.34Å; C3-C60 PolarHBondContact O-SG 2.96Å; C3-C60 VanDerWaalsContact O-SG 3.4Å; M4-C60 VanDerWaalsContact SD-SG 3.6Å; R17-C60 WeakPolarHBondContact CG-O 3.3Å; R17-C60 PolarHBondContact N-O 2.81Å; R17-C60 PolarHBondContact O-N 3.42Å; C19-C60 VanDerWaalsContact CA-SG 3.58Å; C19-C60 HydrophobicContact CB-CB 3.93Å; C19-C60 WeakPolarHBondContact CB-SG 3.43Å; C19-C60 WeakPolarHBondContact SG-CB 3.47Å; C19-C60 PolarHBondContact SG-N 2.72Å; C19-C60 VanDerWaalsContact SG-N 3.37Å; C19-C60 CovalentContact SG-SG 2.02Å; C19-C60 PolarHBondContact SG-SG 3.08Å
61	C	91.5	Very high	90.3	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.034	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	157.6	171.2	50.3	0	0	0	0	111	E2 C3 L5 D15 C89	E2-C61 WeakPolarHBondContact CA-O 3.42Å; C3-C61 PolarHBondContact N-O 3.02Å; C3-C61 PolarHBondContact O-N 3.46Å; L5-C61 HydrophobicContact CD1-CB 3.67Å; L5-C61 HydrophobicContact CG-CB 4.2Å; D15-C61 WeakPolarHBondContact O-CA 3.26Å; D15-C61 VanDerWaalsContact O-CB 3.26Å; D15-C61 WeakPolarHBondContact O-CB 3.33Å; C61-C89 HydrophobicContact CB-CB 3.97Å; C61-C89 WeakPolarHBondContact CB-SG 3.38Å; C61-C89 WeakPolarHBondContact SG-CB 3.29Å; C61-C89 PolarHBondContact SG-N 3.43Å; C61-C89 VanDerWaalsContact SG-N 3.43Å; C61-C89 CovalentContact SG-SG 2.02Å; C61-C89 PolarHBondContact SG-SG 2.72Å
62	T	89.5	Confident	90.5	Very high	73 Å²	73	52.1 Å²	52.1	45%	0.448	29%	0.286	S	S	.	.			trans	-102.1	111.9	170.7	-46.9	0	0	0	0	108.4	M1 R17 G64	M1-T62 WeakPolarHBondContact O-CG2 3.37Å; R17-T62 PolarHBondContact NH1-OG1 3.29Å; R17-T62 PolarHBondContact NH2-OG1 3.39Å; T62-G64 PolarHBondContact O-N 2.8Å
63	P	85	Confident	90.7	Very high	15 Å²	15	46.2 Å²	46.2	10%	0.097	27%	0.265	C	S	.	.			trans	-63.4	130.2	174.7	22.7	-28	0	0	0	109.5	M1	M1-P63 HydrophobicContact CB-CG 4.16Å; M1-P63 HydrophobicContact CE-CG 3.7Å; M1-P63 HydrophobicContact CG-CG 3.81Å; M1-P63 HydrophobicContact SD-CG 3.84Å
64	G	85	Confident	90.7	Very high	34 Å²	34	42.5 Å²	42.5	35%	0.351	25%	0.248	S	C	.	.			trans	-76.3	-175.6	171.3	0	0	0	0	0	112.3	T62 G66 Y67	T62-G64 PolarHBondContact O-N 2.8Å; G64-G66 PolarHBondContact O-N 2.66Å; G64-Y67 WeakPolarHBondContact O-CB 2.97Å; G64-Y67 PolarHBondContact O-N 3.12Å; G64-Y67 VanDerWaalsContact O-N 3.1Å
65	P	85.1	Confident	90.7	Very high	133 Å²	133	47.7 Å²	47.7	86%	0.864	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	127.7	173.8	-20.4	31.7	0	0	0	111.2	Y67	P65-Y67 VanDerWaalsContact C-N 3.35Å
66	G	85.2	Confident	90.3	Very high	46 Å²	46	48 Å²	48	47%	0.474	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	24.4	-177.2	0	0	0	0	0	114.2	G64 D92	G64-G66 PolarHBondContact O-N 2.66Å; G66-D92 PolarHBondContact O-N 3.35Å
67	Y	89.8	Confident	89.7	Confident	95 Å²	95	49.6 Å²	49.6	37%	0.373	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	147.8	169.1	-74.8	-116.9	0	0	0	109.9	G64 P65 A90 K91	G64-Y67 WeakPolarHBondContact O-CB 2.97Å; G64-Y67 PolarHBondContact O-N 3.12Å; G64-Y67 VanDerWaalsContact O-N 3.1Å; P65-Y67 VanDerWaalsContact C-N 3.35Å; Y67-A90 CarbonylContact C-O 3.56Å; Y67-A90 WeakPolarHBondContact CA-O 3.05Å; Y67-A90 WeakPolarHBondContact CB-O 3.31Å; Y67-A90 WeakPolarHBondContact CD1-O 3.36Å; Y67-K91 HydrophobicContact CD1-CB 4.05Å; Y67-K91 VanDerWaalsContact CD1-N 3.27Å; Y67-K91 HydrophobicContact CD2-CB 4.17Å; Y67-K91 HydrophobicContact CD2-CG 4.02Å; Y67-K91 HydrophobicContact CE1-CB 3.67Å; Y67-K91 HydrophobicContact CE1-CG 4.43Å; Y67-K91 HydrophobicContact CE2-CB 3.79Å; Y67-K91 HydrophobicContact CE2-CD 3.85Å; Y67-K91 HydrophobicContact CE2-CG 3.62Å; Y67-K91 HydrophobicContact CG-CB 4.27Å
68	S	90.6	Very high	89.2	Confident	12 Å²	12	54.1 Å²	54.1	8%	0.084	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	158.4	175.1	58.4	0	0	0	0	111.1	A90 D92	S68-A90 PolarHBondContact N-O 2.96Å; S68-A90 PolarHBondContact O-N 2.67Å; S68-D92 VanDerWaalsContact CB-OD1 3.3Å; S68-D92 WeakPolarHBondContact CB-OD1 3.3Å; S68-D92 PolarHBondContact OG-OD1 3.36Å
69	C	92.8	Very high	88.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	132.8	169.9	-55.8	0	0	0	0	108.3	C3 C108 C109 C114 N115	C3-C69 HydrophobicContact CB-CB 3.64Å; C3-C69 WeakPolarHBondContact CB-SG 3.3Å; C3-C69 WeakPolarHBondContact SG-CA 2.99Å; C3-C69 WeakPolarHBondContact SG-CB 3.38Å; C3-C69 CovalentContact SG-SG 2.02Å; C3-C69 PolarHBondContact SG-SG 3.11Å; C69-C108 WeakPolarHBondContact O-CA 3.46Å; C69-C109 WeakPolarHBondContact CB-O 3.28Å; C69-C109 PolarHBondContact N-O 3.26Å; C69-C109 PolarHBondContact O-N 2.94Å; C69-C114 VanDerWaalsContact CB-SG 3.6Å; C69-N115 HydrophobicContact CB-CB 3.93Å
70	R	92.6	Very high	88.1	Confident	37 Å²	37	60.1 Å²	60.1	14%	0.14	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.5	-178.5	-155.8	170.2	-179	-174.8	-4.3	111.1	L87 T88 A90 I106 R107 N115	R70-L87 WeakPolarHBondContact O-CA 3.39Å; R70-T88 PolarHBondContact N-O 3.31Å; R70-T88 PolarHBondContact O-N 3.05Å; R70-A90 HydrophobicContact CB-CB 4.33Å; R70-I106 HydrophobicContact CG-CG2 4.06Å; R70-I106 VanDerWaalsContact NH2-CD1 3.25Å; R70-R107 WeakPolarHBondContact CA-O 3.46Å; R70-N115 PolarHBondContact O-ND2 3.27Å
71	L	94.5	Very high	87.7	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.4	169.6	177.4	82.9	0	0	0	106.3	Y85 D86 L87 I106 R107 N115 P117 E121	L71-Y85 VanDerWaalsContact CD1-CB 3.43Å; L71-Y85 HydrophobicContact CD1-CD1 3.65Å; L71-Y85 HydrophobicContact CD1-CD2 4.37Å; L71-Y85 HydrophobicContact CD1-CE1 4.49Å; L71-Y85 HydrophobicContact CD1-CG 3.58Å; L71-Y85 HydrophobicContact CD2-CD1 3.85Å; L71-Y85 HydrophobicContact CD2-CE1 3.91Å; L71-Y85 HydrophobicContact CD2-CG 4.39Å; L71-Y85 HydrophobicContact CG-CD1 3.55Å; L71-Y85 HydrophobicContact CG-CE1 4.1Å; L71-Y85 HydrophobicContact CG-CG 4.04Å; L71-D86 WeakPolarHBondContact CA-O 3.36Å; L71-L87 HydrophobicContact CD1-CD1 4.23Å; L71-L87 HydrophobicContact CD1-CD2 4.49Å; L71-L87 HydrophobicContact CD1-CG 3.91Å; L71-I106 WeakPolarHBondContact O-CA 3.37Å; L71-R107 HydrophobicContact CB-CB 4.32Å; L71-R107 HydrophobicContact CD2-CB 4.47Å; L71-R107 PolarHBondContact N-O 3.15Å; L71-R107 PolarHBondContact O-N 3.01Å; L71-N115 HydrophobicContact CB-CB 4.31Å; L71-N115 WeakPolarHBondContact CD1-O 3.01Å; L71-P117 HydrophobicContact CD1-CG 3.94Å; L71-E121 VanDerWaalsContact CD2-CD 3.49Å; L71-E121 WeakPolarHBondContact CD2-OE1 3.49Å; L71-E121 WeakPolarHBondContact CD2-OE2 3.48Å
72	N	93	Very high	87.5	Confident	39 Å²	39	66.3 Å²	66.3	21%	0.209	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	121.4	-179.7	-177.1	16.1	0	0	0	110.6	I74 Y85 D86 D105 I106	N72-I74 VanDerWaalsContact ND2-CD1 3.34Å; N72-I74 WeakPolarHBondContact ND2-CD1 3.41Å; N72-I74 PolarHBondContact O-N 3.37Å; N72-Y85 CarbonylContact O-C 3.56Å; N72-Y85 VanDerWaalsContact O-CA 3.3Å; N72-Y85 WeakPolarHBondContact O-CA 3.43Å; N72-D86 HydrophobicContact CB-CB 4.49Å; N72-D86 PolarHBondContact N-O 3.47Å; N72-D86 PolarHBondContact O-N 3.37Å; N72-D105 CarbonylContact C-O 3.48Å; N72-D105 VanDerWaalsContact CA-O 3.32Å; N72-D105 WeakPolarHBondContact CA-O 3.49Å; N72-I106 HydrophobicContact CB-CG1 4.44Å; N72-I106 WeakPolarHBondContact OD1-CG1 3.36Å
73	L	93.5	Very high	87.5	Confident	12 Å²	12	65.6 Å²	65.6	6%	0.063	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	114.8	175.3	-174.4	57.2	0	0	0	110	Q83 Y85 D105 L124 L125	L73-Q83 HydrophobicContact CD1-CG 4.05Å; L73-Y85 HydrophobicContact CB-CD1 3.89Å; L73-Y85 HydrophobicContact CB-CE1 3.58Å; L73-Y85 HydrophobicContact CD1-CD1 4.05Å; L73-Y85 HydrophobicContact CD1-CE1 3.82Å; L73-Y85 HydrophobicContact CD1-CE2 4.26Å; L73-Y85 HydrophobicContact CD1-CG 4.4Å; L73-Y85 HydrophobicContact CG-CE1 4.15Å; L73-D105 HydrophobicContact CB-CB 4Å; L73-D105 PolarHBondContact N-O 3.42Å; L73-L124 HydrophobicContact CD2-CD1 4.37Å; L73-L125 HydrophobicContact CD1-CD2 3.97Å
74	I	90.9	Very high	87.9	Confident	48 Å²	48	66.2 Å²	66.2	25%	0.246	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132	177.6	-57.1	-61.7	0	0	0	109.5	N72 E76 Q83 F84 D86	N72-I74 VanDerWaalsContact ND2-CD1 3.34Å; N72-I74 WeakPolarHBondContact ND2-CD1 3.41Å; N72-I74 PolarHBondContact O-N 3.37Å; I74-E76 HydrophobicContact CG2-CB 4.4Å; I74-Q83 WeakPolarHBondContact O-CA 3.41Å; I74-F84 HydrophobicContact CB-CD1 4.23Å; I74-F84 HydrophobicContact CB-CD2 4.47Å; I74-F84 HydrophobicContact CB-CE1 3.89Å; I74-F84 HydrophobicContact CB-CE2 4.13Å; I74-F84 HydrophobicContact CB-CZ 3.83Å; I74-F84 HydrophobicContact CG1-CE2 4.16Å; I74-F84 HydrophobicContact CG1-CZ 4.17Å; I74-F84 HydrophobicContact CG2-CD1 4.39Å; I74-F84 HydrophobicContact CG2-CE1 3.66Å; I74-F84 HydrophobicContact CG2-CE2 4.5Å; I74-F84 HydrophobicContact CG2-CZ 3.72Å; I74-F84 PolarHBondContact N-O 3.25Å; I74-F84 PolarHBondContact O-N 3.3Å; I74-D86 HydrophobicContact CG1-CB 3.92Å
75	H	89.9	Confident	88.3	Confident	111 Å²	111	65 Å²	65	51%	0.514	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	103.3	168.5	-61.1	85.5	0	0	0	108.3	P77 R82 Q83	H75-P77 WeakPolarHBondContact O-CD 3.5Å; H75-R82 CarbonylContact C-O 3.57Å; H75-Q83 PolarHBondContact NE2-NE2 3.29Å
76	E	84.7	Confident	88.7	Confident	64 Å²	64	60.8 Å²	60.8	30%	0.299	29%	0.288	S	S	.	.			trans	-104.3	104	-179.5	178.5	52.4	-103.3	0	0	110.5	I74 R78 K79 R82 F84	I74-E76 HydrophobicContact CG2-CB 4.4Å; E76-R78 VanDerWaalsContact C-N 3.29Å; E76-R78 PolarHBondContact O-N 3.09Å; E76-R78 WeakPolarHBondContact OE1-CB 3.27Å; E76-R78 PolarHBondContact OE1-N 3.43Å; E76-K79 HydrophobicContact CG-CB 3.99Å; E76-K79 WeakPolarHBondContact CG-O 3.42Å; E76-R82 PolarHBondContact N-O 3.33Å; E76-R82 WeakPolarHBondContact O-CA 3.49Å; E76-R82 WeakPolarHBondContact O-CB 3.32Å; E76-F84 HydrophobicContact CB-CE1 4.19Å
77	P	78.5	Confident	89.1	Confident	103 Å²	103	58.6 Å²	58.6	67%	0.669	27%	0.265	S	S	*	.	S	Bend	trans	-74.3	-16.9	-176.5	26.8	-32.8	0	0	0	114	H75	H75-P77 WeakPolarHBondContact O-CD 3.5Å
78	R	80.9	Confident	89.1	Confident	229 Å²	229	55.9 Å²	55.9	86%	0.864	26%	0.258	S	S	*	.	S	Bend	trans	-107.2	-22.6	-168.2	-62.5	-179.4	179.3	174.6	0.5	114.9	E76	E76-R78 VanDerWaalsContact C-N 3.29Å; E76-R78 PolarHBondContact O-N 3.09Å; E76-R78 WeakPolarHBondContact OE1-CB 3.27Å; E76-R78 PolarHBondContact OE1-N 3.43Å
79	K	81.9	Confident	89.1	Confident	155 Å²	155	56.7 Å²	56.7	67%	0.674	26%	0.264	S	S	*	.	S	Bend	trans	-136.4	145.3	-172.4	-67.3	-174.1	179	-178.7	0	110.5	E76 P81	E76-K79 HydrophobicContact CG-CB 3.99Å; E76-K79 WeakPolarHBondContact CG-O 3.42Å; K79-P81 CarbonylContact O-C 3.5Å
80	E	81.7	Confident	88.8	Confident	50 Å²	50	57.6 Å²	57.6	23%	0.234	27%	0.272	C	S	.	.	S	Bend	trans	-80.7	143.2	173.6	-56.3	-149.6	104.6	0	0	110.9	W41 E42 D43	W41-E80 HydrophobicContact CD2-CB 4.02Å; W41-E80 HydrophobicContact CE3-CB 4.35Å; W41-E80 VanDerWaalsContact CH2-C 3.48Å; W41-E80 HydrophobicContact CH2-CB 3.87Å; W41-E80 WeakPolarHBondContact CH2-O 3.02Å; W41-E80 HydrophobicContact CZ2-CB 3.5Å; W41-E80 VanDerWaalsContact CZ2-CB 3.5Å; W41-E80 HydrophobicContact CZ3-CB 4.3Å; W41-E80 PolarHBondContact NE1-OE2 2.93Å; E42-E80 VanDerWaalsContact CB-OE1 3.28Å; E42-E80 WeakPolarHBondContact CB-OE1 2.99Å; E42-E80 WeakPolarHBondContact CG-OE1 3.37Å; E42-E80 VanDerWaalsContact N-CD 3.31Å; E42-E80 PolarHBondContact N-OE1 3.02Å; E42-E80 PolarHBondContact N-OE2 2.84Å; E42-E80 VanDerWaalsContact N-OE2 3.16Å; D43-E80 PolarHBondContact N-OE2 3.04Å
81	P	85.8	Confident	88.5	Confident	7 Å²	7	62.3 Å²	62.3	5%	0.045	29%	0.293	C	S	.	.	S	Bend	cis	-74.7	137.4	-3.3	29.4	-28.4	0	0	0	111.5	L37 W41 Y51 K79 Q83 F84	L37-P81 HydrophobicContact CD2-CB 4.08Å; L37-P81 HydrophobicContact CD2-CG 4.13Å; W41-P81 HydrophobicContact CE3-CB 4.29Å; W41-P81 HydrophobicContact CZ3-CB 3.94Å; W41-P81 HydrophobicContact CZ3-CG 4.01Å; Y51-P81 WeakPolarHBondContact OH-CD 3.43Å; K79-P81 CarbonylContact O-C 3.5Å; P81-Q83 VanDerWaalsContact C-N 3.3Å; P81-Q83 PolarHBondContact O-N 3.14Å; P81-F84 HydrophobicContact CB-CB 4.43Å; P81-F84 HydrophobicContact CB-CD1 4.48Å; P81-F84 HydrophobicContact CG-CB 3.94Å; P81-F84 HydrophobicContact CG-CD1 3.82Å; P81-F84 HydrophobicContact CG-CG 3.98Å; P81-F84 WeakPolarHBondContact O-CD1 3.45Å
82	R	85.9	Confident	88	Confident	129 Å²	129	65.6 Å²	65.6	49%	0.487	31%	0.311	S	S	.	.	S	Bend	trans	-72	-23.1	-175.1	-64.6	-173.5	-176.2	-169.4	1.6	114.2	E42 H75 E76	E42-R82 VanDerWaalsContact CD-CZ 3.48Å; E42-R82 IonicContact OE1-CZ 2.72Å; E42-R82 IonicContact OE1-NE 3.65Å; E42-R82 PolarHBondContact OE1-NE 3.4Å; E42-R82 IonicContact OE1-NH1 2.81Å; E42-R82 PolarHBondContact OE1-NH1 3.37Å; E42-R82 IonicContact OE1-NH2 3.42Å; E42-R82 PolarHBondContact OE1-NH2 3.07Å; E42-R82 IonicContact OE2-CZ 3.64Å; E42-R82 IonicContact OE2-NE 2.67Å; E42-R82 IonicContact OE2-NH2 3.49Å; E42-R82 PolarHBondContact OE2-NH2 3.13Å; H75-R82 CarbonylContact C-O 3.57Å; E76-R82 PolarHBondContact N-O 3.33Å; E76-R82 WeakPolarHBondContact O-CA 3.49Å; E76-R82 WeakPolarHBondContact O-CB 3.32Å
83	Q	89.9	Confident	87.7	Confident	58 Å²	58	67 Å²	67	27%	0.271	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	123.7	176.2	-161.4	-177.8	4.3	0	0	107.9	L73 I74 H75 P81 L124 L125	L73-Q83 HydrophobicContact CD1-CG 4.05Å; I74-Q83 WeakPolarHBondContact O-CA 3.41Å; H75-Q83 PolarHBondContact NE2-NE2 3.29Å; P81-Q83 VanDerWaalsContact C-N 3.3Å; P81-Q83 PolarHBondContact O-N 3.14Å; Q83-L124 PolarHBondContact NE2-O 2.8Å; Q83-L125 HydrophobicContact CB-CD2 4.19Å; Q83-L125 HydrophobicContact CG-CD2 3.82Å
84	F	93.1	Very high	87.2	Confident	28 Å²	28	74.8 Å²	74.8	12%	0.123	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	157.6	-176.5	65.9	-81.9	0	0	0	110.3	L6 L37 I74 E76 P81 D86	L6-F84 HydrophobicContact CD2-CD2 3.59Å; L6-F84 HydrophobicContact CD2-CE2 4.19Å; L6-F84 HydrophobicContact CD2-CG 4.48Å; L37-F84 HydrophobicContact CD2-CB 3.47Å; L37-F84 VanDerWaalsContact CD2-CB 3.47Å; I74-F84 HydrophobicContact CB-CD1 4.23Å; I74-F84 HydrophobicContact CB-CD2 4.47Å; I74-F84 HydrophobicContact CB-CE1 3.89Å; I74-F84 HydrophobicContact CB-CE2 4.13Å; I74-F84 HydrophobicContact CB-CZ 3.83Å; I74-F84 HydrophobicContact CG1-CE2 4.16Å; I74-F84 HydrophobicContact CG1-CZ 4.17Å; I74-F84 HydrophobicContact CG2-CD1 4.39Å; I74-F84 HydrophobicContact CG2-CE1 3.66Å; I74-F84 HydrophobicContact CG2-CE2 4.5Å; I74-F84 HydrophobicContact CG2-CZ 3.72Å; I74-F84 PolarHBondContact N-O 3.25Å; I74-F84 PolarHBondContact O-N 3.3Å; E76-F84 HydrophobicContact CB-CE1 4.19Å; P81-F84 HydrophobicContact CB-CB 4.43Å; P81-F84 HydrophobicContact CB-CD1 4.48Å; P81-F84 HydrophobicContact CG-CB 3.94Å; P81-F84 HydrophobicContact CG-CD1 3.82Å; P81-F84 HydrophobicContact CG-CG 3.98Å; P81-F84 WeakPolarHBondContact O-CD1 3.45Å; F84-D86 HydrophobicContact CE2-CB 4.26Å
85	Y	94.4	Very high	86.9	Confident	7 Å²	7	78 Å²	78	3%	0.027	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	125.6	167.2	-72.5	-72.5	0	0	0	111	L6 Y33 L71 N72 L73 L87 P117 E121 L125	L6-Y85 VanDerWaalsContact CD2-O 3.29Å; L6-Y85 WeakPolarHBondContact CD2-O 3.4Å; Y33-Y85 HydrophobicContact CE2-CD2 4.12Å; Y33-Y85 WeakPolarHBondContact OH-CA 3.33Å; Y33-Y85 PolarHBondContact OH-N 2.77Å; Y33-Y85 PolarHBondContact OH-O 3.27Å; L71-Y85 VanDerWaalsContact CD1-CB 3.43Å; L71-Y85 HydrophobicContact CD1-CD1 3.65Å; L71-Y85 HydrophobicContact CD1-CD2 4.37Å; L71-Y85 HydrophobicContact CD1-CE1 4.49Å; L71-Y85 HydrophobicContact CD1-CG 3.58Å; L71-Y85 HydrophobicContact CD2-CD1 3.85Å; L71-Y85 HydrophobicContact CD2-CE1 3.91Å; L71-Y85 HydrophobicContact CD2-CG 4.39Å; L71-Y85 HydrophobicContact CG-CD1 3.55Å; L71-Y85 HydrophobicContact CG-CE1 4.1Å; L71-Y85 HydrophobicContact CG-CG 4.04Å; N72-Y85 CarbonylContact O-C 3.56Å; N72-Y85 VanDerWaalsContact O-CA 3.3Å; N72-Y85 WeakPolarHBondContact O-CA 3.43Å; L73-Y85 HydrophobicContact CB-CD1 3.89Å; L73-Y85 HydrophobicContact CB-CE1 3.58Å; L73-Y85 HydrophobicContact CD1-CD1 4.05Å; L73-Y85 HydrophobicContact CD1-CE1 3.82Å; L73-Y85 HydrophobicContact CD1-CE2 4.26Å; L73-Y85 HydrophobicContact CD1-CG 4.4Å; L73-Y85 HydrophobicContact CG-CE1 4.15Å; Y85-L87 VanDerWaalsContact O-CD1 3.3Å; Y85-L87 WeakPolarHBondContact O-CD1 3.3Å; Y85-P117 HydrophobicContact CD2-CB 4.23Å; Y85-P117 HydrophobicContact CD2-CG 3.91Å; Y85-P117 HydrophobicContact CE2-CB 4.39Å; Y85-P117 HydrophobicContact CG-CG 4.4Å; Y85-E121 HydrophobicContact CE2-CB 4.09Å; Y85-E121 WeakPolarHBondContact OH-CB 3.33Å; Y85-E121 PolarHBondContact OH-O 2.92Å; Y85-E121 VanDerWaalsContact OH-O 3.13Å; Y85-L125 HydrophobicContact CD2-CD1 3.59Å; Y85-L125 HydrophobicContact CD2-CG 4.25Å; Y85-L125 HydrophobicContact CE2-CD1 3.72Å; Y85-L125 HydrophobicContact CE2-CG 3.96Å
86	D	92.1	Very high	86.6	Confident	46 Å²	46	73.2 Å²	73.2	25%	0.246	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	119.1	165	-173.7	27.6	0	0	0	109.7	L71 N72 I74 F84	L71-D86 WeakPolarHBondContact CA-O 3.36Å; N72-D86 HydrophobicContact CB-CB 4.49Å; N72-D86 PolarHBondContact N-O 3.47Å; N72-D86 PolarHBondContact O-N 3.37Å; I74-D86 HydrophobicContact CG1-CB 3.92Å; F84-D86 HydrophobicContact CE2-CB 4.26Å
87	L	94.4	Very high	86.3	Confident	0 Å²	0	74 Å²	74	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.8	179.9	-69.3	89.7	0	0	0	108.4	M4 L5 L6 W30 Y33 R70 L71 Y85 N115	M4-L87 HydrophobicContact CB-CD2 3.57Å; M4-L87 CarbonylContact O-C 3.57Å; M4-L87 WeakPolarHBondContact O-CB 3.39Å; L5-L87 WeakPolarHBondContact CA-O 3.18Å; L5-L87 WeakPolarHBondContact CD2-O 3.21Å; L6-L87 HydrophobicContact CB-CB 4.49Å; L6-L87 HydrophobicContact CB-CD1 4.07Å; L6-L87 PolarHBondContact N-O 2.78Å; W30-L87 HydrophobicContact CZ3-CD1 4.37Å; W30-L87 HydrophobicContact CZ3-CD2 4.07Å; Y33-L87 HydrophobicContact CD1-CD1 4.36Å; Y33-L87 HydrophobicContact CE1-CD1 3.55Å; R70-L87 WeakPolarHBondContact O-CA 3.39Å; L71-L87 HydrophobicContact CD1-CD1 4.23Å; L71-L87 HydrophobicContact CD1-CD2 4.49Å; L71-L87 HydrophobicContact CD1-CG 3.91Å; Y85-L87 VanDerWaalsContact O-CD1 3.3Å; Y85-L87 WeakPolarHBondContact O-CD1 3.3Å; L87-N115 WeakPolarHBondContact CD2-O 3.48Å
88	T	90.7	Very high	86.4	Confident	37 Å²	37	73 Å²	73	23%	0.227	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	161.7	-175.6	57	0	0	0	0	114	L5 R70	L5-T88 HydrophobicContact CD2-CG2 4.42Å; R70-T88 PolarHBondContact N-O 3.31Å; R70-T88 PolarHBondContact O-N 3.05Å
89	C	89.5	Confident	86.6	Confident	30 Å²	30	65.4 Å²	65.4	20%	0.203	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	109.7	156.5	-68.7	0	0	0	0	107.8	C3 C61	C3-C89 VanDerWaalsContact CB-SG 3.55Å; C3-C89 PolarHBondContact SG-SG 3.32Å; C61-C89 HydrophobicContact CB-CB 3.97Å; C61-C89 WeakPolarHBondContact CB-SG 3.38Å; C61-C89 WeakPolarHBondContact SG-CB 3.29Å; C61-C89 PolarHBondContact SG-N 3.43Å; C61-C89 VanDerWaalsContact SG-N 3.43Å; C61-C89 CovalentContact SG-SG 2.02Å; C61-C89 PolarHBondContact SG-SG 2.72Å
90	A	86.6	Confident	86.8	Confident	19 Å²	19	59.6 Å²	59.6	16%	0.157	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	141.7	-179.7	0	0	0	0	0	110.2	Y67 S68 R70	Y67-A90 CarbonylContact C-O 3.56Å; Y67-A90 WeakPolarHBondContact CA-O 3.05Å; Y67-A90 WeakPolarHBondContact CB-O 3.31Å; Y67-A90 WeakPolarHBondContact CD1-O 3.36Å; S68-A90 PolarHBondContact N-O 2.96Å; S68-A90 PolarHBondContact O-N 2.67Å; R70-A90 HydrophobicContact CB-CB 4.33Å
91	K	86.1	Confident	86.7	Confident	135 Å²	135	65.4 Å²	65.4	59%	0.587	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	133.7	168.9	-166.4	171.6	-179	176.2	0	108.3	Y67 D93	Y67-K91 HydrophobicContact CD1-CB 4.05Å; Y67-K91 VanDerWaalsContact CD1-N 3.27Å; Y67-K91 HydrophobicContact CD2-CB 4.17Å; Y67-K91 HydrophobicContact CD2-CG 4.02Å; Y67-K91 HydrophobicContact CE1-CB 3.67Å; Y67-K91 HydrophobicContact CE1-CG 4.43Å; Y67-K91 HydrophobicContact CE2-CB 3.79Å; Y67-K91 HydrophobicContact CE2-CD 3.85Å; Y67-K91 HydrophobicContact CE2-CG 3.62Å; Y67-K91 HydrophobicContact CG-CB 4.27Å; K91-D93 PolarHBondContact O-N 2.7Å; K91-D93 VanDerWaalsContact O-N 3.1Å
92	D	85.1	Confident	86.1	Confident	71 Å²	71	72.4 Å²	72.4	38%	0.38	35%	0.352	S	S	.	.			trans	-68.4	110	174.3	-58.2	-32	0	0	0	108.1	G66 S68 T96	G66-D92 PolarHBondContact O-N 3.35Å; S68-D92 VanDerWaalsContact CB-OD1 3.3Å; S68-D92 WeakPolarHBondContact CB-OD1 3.3Å; S68-D92 PolarHBondContact OG-OD1 3.36Å; D92-T96 HydrophobicContact CB-CG2 4.16Å
93	D	86.5	Confident	85.7	Confident	67 Å²	67	69.5 Å²	69.5	36%	0.358	35%	0.346	S	S	.	.			trans	-87.3	171.9	170.4	72	14.6	0	0	0	110.7	K91 F95 T96 K99	K91-D93 PolarHBondContact O-N 2.7Å; K91-D93 VanDerWaalsContact O-N 3.1Å; D93-F95 PolarHBondContact O-N 3.16Å; D93-F95 VanDerWaalsContact O-N 3.11Å; D93-F95 VanDerWaalsContact OD1-C 3.26Å; D93-F95 WeakPolarHBondContact OD1-CA 3.38Å; D93-F95 PolarHBondContact OD1-N 3.43Å; D93-T96 PolarHBondContact N-OG1 3.33Å; D93-T96 VanDerWaalsContact O-CB 3.26Å; D93-T96 WeakPolarHBondContact O-CB 3.26Å; D93-T96 PolarHBondContact O-N 2.99Å; D93-T96 PolarHBondContact O-OG1 3.42Å; D93-T96 WeakPolarHBondContact OD1-CA 3.46Å; D93-T96 PolarHBondContact OD1-N 2.73Å; D93-T96 PolarHBondContact OD1-OG1 2.88Å; D93-K99 IonicContact OD1-NZ 3.35Å; D93-K99 IonicContact OD2-NZ 3.87Å; D93-K99 PolarHBondContact OD2-NZ 3.04Å
94	F	83.3	Confident	85.2	Confident	177 Å²	177	74.5 Å²	74.5	78%	0.776	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.5	178.5	-174.6	-95.2	0	0	0	113.3
95	F	83.7	Confident	84.8	Confident	116 Å²	116	76.2 Å²	76.2	51%	0.509	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-5.1	-179.2	-62	-73.9	0	0	0	113.3	D93 I98 K99	D93-F95 PolarHBondContact O-N 3.16Å; D93-F95 VanDerWaalsContact O-N 3.11Å; D93-F95 VanDerWaalsContact OD1-C 3.26Å; D93-F95 WeakPolarHBondContact OD1-CA 3.38Å; D93-F95 PolarHBondContact OD1-N 3.43Å; F95-I98 HydrophobicContact CD1-CD1 4.21Å; F95-I98 WeakPolarHBondContact O-CB 3.19Å; F95-I98 PolarHBondContact O-N 3.41Å; F95-I98 VanDerWaalsContact O-N 3.07Å; F95-K99 HydrophobicContact CB-CD 4.33Å; F95-K99 HydrophobicContact CB-CG 4.49Å; F95-K99 WeakPolarHBondContact O-CG 3.15Å; F95-K99 PolarHBondContact O-N 3.39Å
96	T	82.7	Confident	84.6	Confident	9 Å²	9	76.6 Å²	76.6	6%	0.055	39%	0.388	C	S	.	.	H	α-helix	trans	-60.4	-45.1	-174.3	-65.4	0	0	0	0	111.3	D92 D93 I98 K99 C100	D92-T96 HydrophobicContact CB-CG2 4.16Å; D93-T96 PolarHBondContact N-OG1 3.33Å; D93-T96 VanDerWaalsContact O-CB 3.26Å; D93-T96 WeakPolarHBondContact O-CB 3.26Å; D93-T96 PolarHBondContact O-N 2.99Å; D93-T96 PolarHBondContact O-OG1 3.42Å; D93-T96 WeakPolarHBondContact OD1-CA 3.46Å; D93-T96 PolarHBondContact OD1-N 2.73Å; D93-T96 PolarHBondContact OD1-OG1 2.88Å; T96-I98 PolarHBondContact O-N 3.05Å; T96-K99 PolarHBondContact O-N 3.29Å; T96-C100 WeakPolarHBondContact CG2-SG 3.32Å; T96-C100 VanDerWaalsContact O-CB 3.28Å; T96-C100 WeakPolarHBondContact O-CB 3.41Å; T96-C100 PolarHBondContact O-N 3.36Å; T96-C100 PolarHBondContact O-SG 2.68Å
97	P	78.7	Confident	84.6	Confident	80 Å²	80	77.5 Å²	77.5	52%	0.519	39%	0.388	S	S	.	.	H	α-helix	trans	-55.7	-38.9	175.2	-24.7	34.4	0	0	0	113.1	Q101	P97-Q101 WeakPolarHBondContact O-CB 3.1Å; P97-Q101 WeakPolarHBondContact O-CG 3.24Å; P97-Q101 PolarHBondContact O-N 3.48Å
98	I	81.8	Confident	84.5	Confident	82 Å²	82	79.1 Å²	79.1	42%	0.421	40%	0.399	S	S	.	.	H	α-helix	trans	-70.2	-51.6	-180	-59.6	166.4	0	0	0	109.8	F95 T96 C100 Q101 Q102	F95-I98 HydrophobicContact CD1-CD1 4.21Å; F95-I98 WeakPolarHBondContact O-CB 3.19Å; F95-I98 PolarHBondContact O-N 3.41Å; F95-I98 VanDerWaalsContact O-N 3.07Å; T96-I98 PolarHBondContact O-N 3.05Å; I98-C100 VanDerWaalsContact C-N 3.3Å; I98-C100 PolarHBondContact O-N 3.02Å; I98-Q101 PolarHBondContact O-N 3.3Å; I98-Q102 WeakPolarHBondContact O-CB 3.36Å; I98-Q102 PolarHBondContact O-N 2.93Å
99	K	85.4	Confident	84.6	Confident	70 Å²	70	78.7 Å²	78.7	30%	0.304	40%	0.397	S	S	.	.	H	α-helix	trans	-58.4	-42	179.1	-67.6	173.2	-171.7	164.7	0	111.5	D93 F95 T96 D103	D93-K99 IonicContact OD1-NZ 3.35Å; D93-K99 IonicContact OD2-NZ 3.87Å; D93-K99 PolarHBondContact OD2-NZ 3.04Å; F95-K99 HydrophobicContact CB-CD 4.33Å; F95-K99 HydrophobicContact CB-CG 4.49Å; F95-K99 WeakPolarHBondContact O-CG 3.15Å; F95-K99 PolarHBondContact O-N 3.39Å; T96-K99 PolarHBondContact O-N 3.29Å; K99-D103 WeakPolarHBondContact O-CB 3.31Å; K99-D103 PolarHBondContact O-N 3.43Å
100	C	84.9	Confident	84.6	Confident	34 Å²	34	81.6 Å²	81.6	23%	0.23	42%	0.418	C	S	.	.	H	α-helix	trans	-79.1	-16.9	-176.5	-55.9	0	0	0	0	114.3	T96 I98 C108	T96-C100 WeakPolarHBondContact CG2-SG 3.32Å; T96-C100 VanDerWaalsContact O-CB 3.28Å; T96-C100 WeakPolarHBondContact O-CB 3.41Å; T96-C100 PolarHBondContact O-N 3.36Å; T96-C100 PolarHBondContact O-SG 2.68Å; I98-C100 VanDerWaalsContact C-N 3.3Å; I98-C100 PolarHBondContact O-N 3.02Å; C100-C108 HydrophobicContact CB-CB 3.54Å; C100-C108 WeakPolarHBondContact CB-SG 3.34Å; C100-C108 WeakPolarHBondContact SG-CB 3.28Å; C100-C108 CovalentContact SG-SG 2Å; C100-C108 PolarHBondContact SG-SG 3.49Å
101	Q	80.3	Confident	84.8	Confident	172 Å²	172	87.7 Å²	87.7	80%	0.804	44%	0.443	S	S	*	.	H	α-helix	trans	-102.2	-33.7	178.6	-79.6	-174	-14.9	0	0	113.7	P97 I98	P97-Q101 WeakPolarHBondContact O-CB 3.1Å; P97-Q101 WeakPolarHBondContact O-CG 3.24Å; P97-Q101 PolarHBondContact O-N 3.48Å; I98-Q101 PolarHBondContact O-N 3.3Å
102	Q	73.8	Confident	85.2	Confident	153 Å²	153	86.2 Å²	86.2	72%	0.715	44%	0.437	S	S	*	.	H	α-helix	trans	-101.4	-25	-172.6	-73	-174.9	-21.2	0	0	113.9	I98	I98-Q102 WeakPolarHBondContact O-CB 3.36Å; I98-Q102 PolarHBondContact O-N 2.93Å
103	D	76.7	Confident	85.7	Confident	68 Å²	68	83 Å²	83	36%	0.364	42%	0.419	S	S	.	.			trans	-93.4	112.6	-175	-160.9	-18	0	0	0	110.3	K99 D105 I106	K99-D103 WeakPolarHBondContact O-CB 3.31Å; K99-D103 PolarHBondContact O-N 3.43Å; D103-D105 PolarHBondContact O-N 3.4Å; D103-D105 PolarHBondContact OD1-N 3.38Å; D103-D105 VanDerWaalsContact OD1-N 3.13Å; D103-I106 HydrophobicContact CB-CB 4.14Å; D103-I106 HydrophobicContact CB-CD1 4.33Å; D103-I106 HydrophobicContact CB-CG1 4.11Å; D103-I106 PolarHBondContact O-N 2.97Å; D103-I106 VanDerWaalsContact O-N 3.08Å; D103-I106 VanDerWaalsContact O-O 3.1Å; D103-I106 WeakPolarHBondContact OD2-CD1 3.36Å
104	N	78.6	Confident	86	Confident	164 Å²	164	80.5 Å²	80.5	88%	0.877	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.8	179	-72	-20.3	0	0	0	112.4	I106	N104-I106 VanDerWaalsContact C-N 3.29Å
105	D	85.8	Confident	86.6	Confident	63 Å²	63	72 Å²	72	34%	0.337	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-12	178.8	-68.7	-21.2	0	0	0	111.9	N72 L73 D103	N72-D105 CarbonylContact C-O 3.48Å; N72-D105 VanDerWaalsContact CA-O 3.32Å; N72-D105 WeakPolarHBondContact CA-O 3.49Å; L73-D105 HydrophobicContact CB-CB 4Å; L73-D105 PolarHBondContact N-O 3.42Å; D103-D105 PolarHBondContact O-N 3.4Å; D103-D105 PolarHBondContact OD1-N 3.38Å; D103-D105 VanDerWaalsContact OD1-N 3.13Å
106	I	90.6	Very high	87.2	Confident	16 Å²	16	66.7 Å²	66.7	8%	0.082	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.3	-172.7	-53.6	-172.9	0	0	0	111.3	R70 L71 N72 D103 N104	R70-I106 HydrophobicContact CG-CG2 4.06Å; R70-I106 VanDerWaalsContact NH2-CD1 3.25Å; L71-I106 WeakPolarHBondContact O-CA 3.37Å; N72-I106 HydrophobicContact CB-CG1 4.44Å; N72-I106 WeakPolarHBondContact OD1-CG1 3.36Å; D103-I106 HydrophobicContact CB-CB 4.14Å; D103-I106 HydrophobicContact CB-CD1 4.33Å; D103-I106 HydrophobicContact CB-CG1 4.11Å; D103-I106 PolarHBondContact O-N 2.97Å; D103-I106 VanDerWaalsContact O-N 3.08Å; D103-I106 VanDerWaalsContact O-O 3.1Å; D103-I106 WeakPolarHBondContact OD2-CD1 3.36Å; N104-I106 VanDerWaalsContact C-N 3.29Å
107	R	91.3	Very high	87.9	Confident	65 Å²	65	66.3 Å²	66.3	25%	0.245	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.8	170.9	-175	165.3	58.2	83.4	-7.3	110.9	R70 L71 C114 V116 E121	R70-R107 WeakPolarHBondContact CA-O 3.46Å; L71-R107 HydrophobicContact CB-CB 4.32Å; L71-R107 HydrophobicContact CD2-CB 4.47Å; L71-R107 PolarHBondContact N-O 3.15Å; L71-R107 PolarHBondContact O-N 3.01Å; R107-C114 PolarHBondContact NH1-O 3.32Å; R107-C114 PolarHBondContact NH2-O 3.48Å; R107-V116 PolarHBondContact NH2-O 3.13Å; R107-V116 VanDerWaalsContact NH2-O 3.08Å; R107-E121 IonicContact CZ-OE1 3.91Å; R107-E121 IonicContact CZ-OE2 3.84Å; R107-E121 IonicContact NE-OE1 3.53Å; R107-E121 PolarHBondContact NE-OE1 3.24Å; R107-E121 IonicContact NE-OE2 3.63Å; R107-E121 IonicContact NH2-OE1 2.8Å; R107-E121 PolarHBondContact NH2-OE1 3.16Å; R107-E121 IonicContact NH2-OE2 2.8Å; R107-E121 PolarHBondContact NH2-OE2 2.8Å
108	C	92.1	Very high	88.7	Confident	34 Å²	34	64.5 Å²	64.5	23%	0.23	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137	175	-47.8	0	0	0	0	109.6	C69 C100	C69-C108 WeakPolarHBondContact O-CA 3.46Å; C100-C108 HydrophobicContact CB-CB 3.54Å; C100-C108 WeakPolarHBondContact CB-SG 3.34Å; C100-C108 WeakPolarHBondContact SG-CB 3.28Å; C100-C108 CovalentContact SG-SG 2Å; C100-C108 PolarHBondContact SG-SG 3.49Å
109	C	92.4	Very high	89.2	Confident	27 Å²	27	62.8 Å²	62.8	18%	0.182	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	159.2	-175.4	58.2	0	0	0	0	111.5	C69 C114 N115	C69-C109 WeakPolarHBondContact CB-O 3.28Å; C69-C109 PolarHBondContact N-O 3.26Å; C69-C109 PolarHBondContact O-N 2.94Å; C109-C114 HydrophobicContact CB-CB 3.75Å; C109-C114 WeakPolarHBondContact CB-SG 3.41Å; C109-C114 WeakPolarHBondContact SG-CB 3.38Å; C109-C114 CovalentContact SG-SG 2.02Å; C109-C114 PolarHBondContact SG-SG 3.38Å; C109-N115 PolarHBondContact SG-N 3.36Å
110	S	89.7	Confident	89.5	Confident	91 Å²	91	65.9 Å²	65.9	64%	0.636	34%	0.342	S	S	*	.			trans	-115.1	4.5	-173.7	52.6	0	0	0	0	115.3	M1	M1-S110 WeakPolarHBondContact CE-O 3.46Å; M1-S110 WeakPolarHBondContact CG-O 3.39Å
111	E	91.3	Very high	89.9	Confident	148 Å²	148	65.9 Å²	65.9	69%	0.692	34%	0.339	S	S	*	.	S	Bend	trans	-91.5	164.7	-179.4	-67.4	-178.1	-170.9	0	0	112.9	H113 C114	E111-H113 PolarHBondContact O-N 2.81Å; E111-C114 HydrophobicContact CB-CB 3.78Å; E111-C114 WeakPolarHBondContact O-CB 3.46Å; E111-C114 PolarHBondContact O-N 3.04Å; E111-C114 PolarHBondContact O-SG 2.84Å
112	K	93.6	Very high	90.6	Very high	104 Å²	104	57.7 Å²	57.7	45%	0.452	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	124.1	178.2	-173.7	-177.5	177.9	-174.4	0	110.7	E2 S20 C114	E2-K112 HydrophobicContact CB-CG 4.37Å; S20-K112 WeakPolarHBondContact OG-CE 3.44Å; S20-K112 PolarHBondContact OG-NZ 3.44Å; K112-C114 PolarHBondContact O-N 3.45Å; K112-C114 VanDerWaalsContact O-N 3.16Å
113	H	95.2	Very high	91.4	Very high	3 Å²	3	56 Å²	56	1%	0.014	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	24.2	-179	-50.1	146.1	0	0	0	113.6	E2 S20 E111 N115 V116	E2-H113 PolarHBondContact O-N 2.95Å; E2-H113 IonicContact OE2-CD2 2.87Å; E2-H113 IonicContact OE2-CE1 3.09Å; E2-H113 IonicContact OE2-NE2 3.41Å; E2-H113 PolarHBondContact OE2-NE2 3.32Å; S20-H113 PolarHBondContact O-CE1 3.33Å; E111-H113 PolarHBondContact O-N 2.81Å; H113-N115 PolarHBondContact O-N 3.12Å; H113-V116 HydrophobicContact CB-CG2 4.25Å; H113-V116 VanDerWaalsContact O-CG2 3.31Å; H113-V116 WeakPolarHBondContact O-CG2 3.39Å; H113-V116 PolarHBondContact O-N 2.8Å; H113-V116 VanDerWaalsContact O-N 3.12Å
114	C	94.5	Very high	91.9	Very high	14 Å²	14	57.5 Å²	57.5	10%	0.095	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-24.3	-173.7	66.8	0	0	0	0	112.6	C69 R107 C109 E111 K112 V116	C69-C114 VanDerWaalsContact CB-SG 3.6Å; R107-C114 PolarHBondContact NH1-O 3.32Å; R107-C114 PolarHBondContact NH2-O 3.48Å; C109-C114 HydrophobicContact CB-CB 3.75Å; C109-C114 WeakPolarHBondContact CB-SG 3.41Å; C109-C114 WeakPolarHBondContact SG-CB 3.38Å; C109-C114 CovalentContact SG-SG 2.02Å; C109-C114 PolarHBondContact SG-SG 3.38Å; E111-C114 HydrophobicContact CB-CB 3.78Å; E111-C114 WeakPolarHBondContact O-CB 3.46Å; E111-C114 PolarHBondContact O-N 3.04Å; E111-C114 PolarHBondContact O-SG 2.84Å; K112-C114 PolarHBondContact O-N 3.45Å; K112-C114 VanDerWaalsContact O-N 3.16Å; C114-V116 PolarHBondContact O-N 3.1Å
115	N	95.6	Very high	92.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	6.9	176.8	68.9	-26.5	0	0	0	113.4	M4 C69 R70 L71 L87 C109 H113	M4-N115 PolarHBondContact N-OD1 3.15Å; M4-N115 PolarHBondContact O-ND2 3.09Å; C69-N115 HydrophobicContact CB-CB 3.93Å; R70-N115 PolarHBondContact O-ND2 3.27Å; L71-N115 HydrophobicContact CB-CB 4.31Å; L71-N115 WeakPolarHBondContact CD1-O 3.01Å; L87-N115 WeakPolarHBondContact CD2-O 3.48Å; C109-N115 PolarHBondContact SG-N 3.36Å; H113-N115 PolarHBondContact O-N 3.12Å
116	V	96.9	Very high	92.4	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.024	26%	0.262	C	S	.	.	S	Bend	trans	-64.5	133.2	164.8	175.3	0	0	0	0	108.6	M4 L22 H26 N29 R107 H113 C114	M4-V116 HydrophobicContact CG-CG2 3.56Å; L22-V116 HydrophobicContact CD2-CG2 4.36Å; H26-V116 HydrophobicContact CB-CG1 4.43Å; H26-V116 HydrophobicContact CB-CG2 4.21Å; N29-V116 HydrophobicContact CB-CG1 3.74Å; R107-V116 PolarHBondContact NH2-O 3.13Å; R107-V116 VanDerWaalsContact NH2-O 3.08Å; H113-V116 HydrophobicContact CB-CG2 4.25Å; H113-V116 VanDerWaalsContact O-CG2 3.31Å; H113-V116 WeakPolarHBondContact O-CG2 3.39Å; H113-V116 PolarHBondContact O-N 2.8Å; H113-V116 VanDerWaalsContact O-N 3.12Å; C114-V116 PolarHBondContact O-N 3.1Å
117	P	96.3	Very high	91.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-57.8	140.4	178.2	-25.2	32.8	0	0	0	112.3	N29 Y33 L71 Y85 E121 L122	N29-P117 WeakPolarHBondContact CB-O 3.47Å; N29-P117 PolarHBondContact ND2-O 3.01Å; Y33-P117 HydrophobicContact CD1-CG 4.2Å; Y33-P117 HydrophobicContact CD2-CG 4.32Å; Y33-P117 HydrophobicContact CG-CG 4.06Å; L71-P117 HydrophobicContact CD1-CG 3.94Å; Y85-P117 HydrophobicContact CD2-CB 4.23Å; Y85-P117 HydrophobicContact CD2-CG 3.91Å; Y85-P117 HydrophobicContact CE2-CB 4.39Å; Y85-P117 HydrophobicContact CG-CG 4.4Å; P117-E121 VanDerWaalsContact CA-OE2 3.24Å; P117-E121 WeakPolarHBondContact CA-OE2 3.34Å; P117-E121 HydrophobicContact CB-CB 4.25Å; P117-L122 HydrophobicContact CB-CD2 3.66Å; P117-L122 HydrophobicContact CB-CG 3.85Å; P117-L122 HydrophobicContact CG-CD2 4.18Å
118	T	95.2	Very high	90	Very high	43 Å²	43	59.4 Å²	59.4	26%	0.264	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-74.9	171.4	172	76	0	0	0	0	111.1	E120 E121 L122	T118-E120 WeakPolarHBondContact CB-OE2 3.35Å; T118-E120 PolarHBondContact O-N 3.07Å; T118-E120 PolarHBondContact OG1-N 2.91Å; T118-E120 PolarHBondContact OG1-OE2 3.39Å; T118-E121 PolarHBondContact N-OE2 3.43Å; T118-E121 PolarHBondContact O-N 3.39Å; T118-E121 PolarHBondContact OG1-N 2.98Å; T118-L122 WeakPolarHBondContact O-CG 3.36Å; T118-L122 PolarHBondContact O-N 3.04Å
119	S	93.8	Very high	88.1	Confident	45 Å²	45	62.2 Å²	62.2	32%	0.315	33%	0.333	S	S	.	.	H	α-helix	trans	-66	-29.9	179.1	-168.6	0	0	0	0	111.6	M123	S119-M123 WeakPolarHBondContact O-CG 3.44Å; S119-M123 PolarHBondContact O-N 3.13Å
120	E	91.6	Very high	86.2	Confident	135 Å²	135	64.4 Å²	64.4	63%	0.631	35%	0.346	S	S	*	.	H	α-helix	trans	-73.8	-45.8	-179.9	-56.3	71.5	-152.5	0	0	110.5	T118 L122 M123	T118-E120 WeakPolarHBondContact CB-OE2 3.35Å; T118-E120 PolarHBondContact O-N 3.07Å; T118-E120 PolarHBondContact OG1-N 2.91Å; T118-E120 PolarHBondContact OG1-OE2 3.39Å; E120-L122 VanDerWaalsContact C-N 3.27Å; E120-L122 PolarHBondContact O-N 3.46Å; E120-M123 WeakPolarHBondContact O-CB 3.33Å; E120-M123 PolarHBondContact O-N 3.49Å
121	E	93.3	Very high	84.5	Confident	34 Å²	34	63.2 Å²	63.2	16%	0.159	34%	0.338	C	S	.	.	H	α-helix	trans	-58.6	-40	173.5	-72.9	172	158.5	0	0	111.4	L71 Y85 R107 P117 T118 M123 L124	L71-E121 VanDerWaalsContact CD2-CD 3.49Å; L71-E121 WeakPolarHBondContact CD2-OE1 3.49Å; L71-E121 WeakPolarHBondContact CD2-OE2 3.48Å; Y85-E121 HydrophobicContact CE2-CB 4.09Å; Y85-E121 WeakPolarHBondContact OH-CB 3.33Å; Y85-E121 PolarHBondContact OH-O 2.92Å; Y85-E121 VanDerWaalsContact OH-O 3.13Å; R107-E121 IonicContact CZ-OE1 3.91Å; R107-E121 IonicContact CZ-OE2 3.84Å; R107-E121 IonicContact NE-OE1 3.53Å; R107-E121 PolarHBondContact NE-OE1 3.24Å; R107-E121 IonicContact NE-OE2 3.63Å; R107-E121 IonicContact NH2-OE1 2.8Å; R107-E121 PolarHBondContact NH2-OE1 3.16Å; R107-E121 IonicContact NH2-OE2 2.8Å; R107-E121 PolarHBondContact NH2-OE2 2.8Å; P117-E121 VanDerWaalsContact CA-OE2 3.24Å; P117-E121 WeakPolarHBondContact CA-OE2 3.34Å; P117-E121 HydrophobicContact CB-CB 4.25Å; T118-E121 PolarHBondContact N-OE2 3.43Å; T118-E121 PolarHBondContact O-N 3.39Å; T118-E121 PolarHBondContact OG1-N 2.98Å; E121-M123 PolarHBondContact O-N 3.06Å; E121-L124 WeakPolarHBondContact O-CB 3.43Å; E121-L124 PolarHBondContact O-N 3.3Å; E121-L124 VanDerWaalsContact O-N 3.14Å
122	L	94.1	Very high	82.8	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-64.7	-23.9	176.5	-69.1	174.1	0	0	0	113.9	N29 R32 Y33 L36 P117 T118 E120 L124 L125	N29-L122 HydrophobicContact CB-CD1 4.19Å; R32-L122 HydrophobicContact CB-CD1 4.13Å; R32-L122 HydrophobicContact CG-CD1 4.13Å; Y33-L122 HydrophobicContact CD2-CD2 3.74Å; Y33-L122 HydrophobicContact CG-CD2 4.03Å; L36-L122 HydrophobicContact CD1-CB 4.04Å; L36-L122 HydrophobicContact CD1-CD2 4.1Å; L36-L122 WeakPolarHBondContact CD1-O 3.36Å; P117-L122 HydrophobicContact CB-CD2 3.66Å; P117-L122 HydrophobicContact CB-CG 3.85Å; P117-L122 HydrophobicContact CG-CD2 4.18Å; T118-L122 WeakPolarHBondContact O-CG 3.36Å; T118-L122 PolarHBondContact O-N 3.04Å; E120-L122 VanDerWaalsContact C-N 3.27Å; E120-L122 PolarHBondContact O-N 3.46Å; L122-L124 PolarHBondContact O-N 3.34Å; L122-L125 HydrophobicContact CD2-CD1 4.33Å; L122-L125 PolarHBondContact O-N 2.95Å
123	M	90	Very high	81.3	Confident	117 Å²	117	64 Å²	64	58%	0.576	35%	0.351	S	S	*	.	H	α-helix	trans	-68.4	-27.1	176.7	-63.5	-73.1	-86.1	0	0	111.4	S119 E120 E121 L125 V126	S119-M123 WeakPolarHBondContact O-CG 3.44Å; S119-M123 PolarHBondContact O-N 3.13Å; E120-M123 WeakPolarHBondContact O-CB 3.33Å; E120-M123 PolarHBondContact O-N 3.49Å; E121-M123 PolarHBondContact O-N 3.06Å; M123-L125 PolarHBondContact O-N 3.04Å; M123-V126 PolarHBondContact O-N 2.68Å; M123-V126 VanDerWaalsContact O-N 3.16Å
124	L	88.5	Confident	79.7	Confident	100 Å²	100	69.1 Å²	69.1	52%	0.524	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.8	176.1	-59.4	178.4	0	0	0	112.8	L73 Q83 E121 L122	L73-L124 HydrophobicContact CD2-CD1 4.37Å; Q83-L124 PolarHBondContact NE2-O 2.8Å; E121-L124 WeakPolarHBondContact O-CB 3.43Å; E121-L124 PolarHBondContact O-N 3.3Å; E121-L124 VanDerWaalsContact O-N 3.14Å; L122-L124 PolarHBondContact O-N 3.34Å
125	L	89.1	Confident	78.4	Confident	1 Å²	1	73 Å²	73	1%	0.005	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.8	176.4	-64.3	175.4	0	0	0	112.9	Y33 L36 N40 L73 Q83 Y85 L122 M123 K127	Y33-L125 HydrophobicContact CD2-CD1 3.55Å; Y33-L125 HydrophobicContact CE2-CD1 3.35Å; L36-L125 HydrophobicContact CD1-CB 4.33Å; N40-L125 PolarHBondContact ND2-O 3.49Å; L73-L125 HydrophobicContact CD1-CD2 3.97Å; Q83-L125 HydrophobicContact CB-CD2 4.19Å; Q83-L125 HydrophobicContact CG-CD2 3.82Å; Y85-L125 HydrophobicContact CD2-CD1 3.59Å; Y85-L125 HydrophobicContact CD2-CG 4.25Å; Y85-L125 HydrophobicContact CE2-CD1 3.72Å; Y85-L125 HydrophobicContact CE2-CG 3.96Å; L122-L125 HydrophobicContact CD2-CD1 4.33Å; L122-L125 PolarHBondContact O-N 2.95Å; M123-L125 PolarHBondContact O-N 3.04Å; L125-K127 PolarHBondContact O-N 2.61Å; L125-K127 VanDerWaalsContact O-N 3.13Å
126	V	85.7	Confident	77.4	Confident	61 Å²	61	76.8 Å²	76.8	37%	0.37	41%	0.414	S	S	.	.	S	Bend	trans	-71.3	113.9	174.8	177.5	0	0	0	0	106.7	L36 M123 D128	L36-V126 HydrophobicContact CD2-CG2 3.9Å; M123-V126 PolarHBondContact O-N 2.68Å; M123-V126 VanDerWaalsContact O-N 3.16Å; V126-D128 PolarHBondContact O-N 2.74Å
127	K	71.2	Confident	76.4	Confident	134 Å²	134	78.8 Å²	78.8	58%	0.583	43%	0.431	S	S	*	.			trans	-59.7	116.7	170.5	-166	173.9	-172.7	173.9	0	106.3	L125 S129	L125-K127 PolarHBondContact O-N 2.61Å; L125-K127 VanDerWaalsContact O-N 3.13Å; K127-S129 PolarHBondContact O-N 2.91Å
128	D	60.5	Low	75.3	Confident	152 Å²	152	80.7 Å²	80.7	81%	0.813	44%	0.44	S	S	*	.			trans	-51.7	111.9	173.6	-78.1	-35.4	0	0	0	107	V126	V126-D128 PolarHBondContact O-N 2.74Å
129	S	51.7	Low	74.5	Confident	93 Å²	93	81.5 Å²	81.5	65%	0.65	45%	0.448	S	S	*	.			trans	-50.8	136.6	165.9	50.1	0	0	0	0	106.4	K127 S131	K127-S129 PolarHBondContact O-N 2.91Å; S129-S131 WeakPolarHBondContact O-CA 3.19Å; S129-S131 PolarHBondContact O-N 3.34Å
130	P	52	Low	73.9	Confident	73 Å²	73	84.6 Å²	84.6	47%	0.474	46%	0.46	S	S	.	.			trans	-49.1	115.4	175.9	21.4	-31	0	0	0	106.4	Y134	P130-Y134 HydrophobicContact CB-CD1 4.33Å; P130-Y134 HydrophobicContact CB-CG 4.46Å
131	S	53.5	Low	73.3	Confident	67 Å²	67	82.4 Å²	82.4	47%	0.469	45%	0.453	S	S	.	.			trans	-52	148.1	-164.3	41.4	0	0	0	0	109.4	S129 L133 Y134 L135	S129-S131 WeakPolarHBondContact O-CA 3.19Å; S129-S131 PolarHBondContact O-N 3.34Å; S131-L133 CarbonylContact O-C 3.37Å; S131-L133 PolarHBondContact O-N 3.31Å; S131-Y134 WeakPolarHBondContact O-CA 3.36Å; S131-Y134 WeakPolarHBondContact O-CB 3.46Å; S131-Y134 PolarHBondContact O-N 3.45Å; S131-L135 PolarHBondContact O-N 3.18Å
132	D	56.2	Low	72.6	Confident	130 Å²	130	83.6 Å²	83.6	70%	0.695	46%	0.462	S	S	*	.	H	α-helix	trans	-49.8	-29.4	-179.9	-78.2	-37.3	0	0	0	112.3	Y134 L135 V136	D132-Y134 VanDerWaalsContact C-N 3.31Å; D132-Y134 PolarHBondContact O-N 3.46Å; D132-L135 PolarHBondContact O-N 2.88Å; D132-V136 WeakPolarHBondContact O-CB 3.36Å; D132-V136 WeakPolarHBondContact O-CG2 3.19Å; D132-V136 PolarHBondContact O-N 3.15Å
133	L	62.3	Low	72	Confident	137 Å²	137	88.1 Å²	88.1	72%	0.717	49%	0.485	S	S	*	.	H	α-helix	trans	-57.6	-38.5	171.3	-67.7	172.9	0	0	0	113.8	S131 V136 A137	S131-L133 CarbonylContact O-C 3.37Å; S131-L133 PolarHBondContact O-N 3.31Å; L133-V136 PolarHBondContact O-N 3.41Å; L133-A137 WeakPolarHBondContact O-CB 3.18Å; L133-A137 PolarHBondContact O-N 3.48Å
134	Y	62	Low	71.6	Confident	111 Å²	111	87.2 Å²	87.2	44%	0.435	48%	0.482	S	S	.	.	H	α-helix	trans	-67.5	-42.9	175.3	-147.6	-94.1	0	0	0	111.5	P130 S131 D132 A137 I138 F211	P130-Y134 HydrophobicContact CB-CD1 4.33Å; P130-Y134 HydrophobicContact CB-CG 4.46Å; S131-Y134 WeakPolarHBondContact O-CA 3.36Å; S131-Y134 WeakPolarHBondContact O-CB 3.46Å; S131-Y134 PolarHBondContact O-N 3.45Å; D132-Y134 VanDerWaalsContact C-N 3.31Å; D132-Y134 PolarHBondContact O-N 3.46Å; Y134-A137 PolarHBondContact O-N 3.4Å; Y134-I138 HydrophobicContact CD1-CD1 3.74Å; Y134-I138 HydrophobicContact CD1-CG1 4.39Å; Y134-I138 HydrophobicContact CE1-CD1 3.88Å; Y134-I138 HydrophobicContact CE1-CG1 4.49Å; Y134-I138 WeakPolarHBondContact O-CG1 3.41Å; Y134-I138 PolarHBondContact O-N 2.98Å; Y134-F211 AromaticContact CE1-CE1 3.97Å; Y134-F211 HydrophobicContact CE1-CE1 3.97Å; Y134-F211 HydrophobicContact CE1-CZ 4Å; Y134-F211 WeakPolarHBondContact OH-CZ 3.48Å
135	L	66.5	Low	71	Confident	95 Å²	95	82.9 Å²	82.9	50%	0.497	46%	0.461	S	S	.	.	H	α-helix	trans	-64.4	-39.6	173.1	-83.1	162	0	0	0	111.9	S131 D132 I138 S139	S131-L135 PolarHBondContact O-N 3.18Å; D132-L135 PolarHBondContact O-N 2.88Å; L135-I138 PolarHBondContact O-N 3.14Å; L135-S139 VanDerWaalsContact O-CB 3.29Å; L135-S139 WeakPolarHBondContact O-CB 3.49Å; L135-S139 PolarHBondContact O-N 3.47Å; L135-S139 PolarHBondContact O-OG 3.28Å
136	V	74.9	Confident	70.5	Confident	80 Å²	80	87.3 Å²	87.3	49%	0.485	48%	0.483	S	S	.	.	H	α-helix	trans	-63.5	-44.4	174.3	169.4	0	0	0	0	110.5	D132 L133 S139 L140	D132-V136 WeakPolarHBondContact O-CB 3.36Å; D132-V136 WeakPolarHBondContact O-CG2 3.19Å; D132-V136 PolarHBondContact O-N 3.15Å; L133-V136 PolarHBondContact O-N 3.41Å; V136-S139 PolarHBondContact O-N 2.89Å; V136-L140 HydrophobicContact CG1-CD1 3.96Å; V136-L140 HydrophobicContact CG1-CG 4.41Å; V136-L140 WeakPolarHBondContact O-CB 3.17Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.38Å; V136-L140 PolarHBondContact O-N 2.88Å
137	A	75.6	Confident	70.2	Confident	46 Å²	46	88.8 Å²	88.8	38%	0.38	49%	0.488	S	S	.	.	H	α-helix	trans	-62.4	-45.2	177.6	0	0	0	0	0	112	L133 Y134 S139 L140 L141	L133-A137 WeakPolarHBondContact O-CB 3.18Å; L133-A137 PolarHBondContact O-N 3.48Å; Y134-A137 PolarHBondContact O-N 3.4Å; A137-S139 VanDerWaalsContact C-N 3.34Å; A137-S139 PolarHBondContact O-N 2.68Å; A137-L140 PolarHBondContact O-N 2.89Å; A137-L141 WeakPolarHBondContact O-CB 3.24Å; A137-L141 PolarHBondContact O-N 2.82Å
138	I	74.6	Confident	70.5	Confident	40 Å²	40	84.8 Å²	84.8	21%	0.205	47%	0.473	C	S	.	.	H	α-helix	trans	-62.5	-43	175.4	-68.3	170.2	0	0	0	110.5	Y134 L135 L140 L141 T142 F211	Y134-I138 HydrophobicContact CD1-CD1 3.74Å; Y134-I138 HydrophobicContact CD1-CG1 4.39Å; Y134-I138 HydrophobicContact CE1-CD1 3.88Å; Y134-I138 HydrophobicContact CE1-CG1 4.49Å; Y134-I138 WeakPolarHBondContact O-CG1 3.41Å; Y134-I138 PolarHBondContact O-N 2.98Å; L135-I138 PolarHBondContact O-N 3.14Å; I138-L140 PolarHBondContact O-N 3.44Å; I138-L141 PolarHBondContact O-N 3.48Å; I138-T142 WeakPolarHBondContact O-CB 3.4Å; I138-T142 PolarHBondContact O-N 3.46Å; I138-T142 PolarHBondContact O-OG1 2.85Å; I138-F211 HydrophobicContact CD1-CE1 4.43Å
139	S	77.2	Confident	71.2	Confident	61 Å²	61	81.2 Å²	81.2	43%	0.427	45%	0.45	S	S	.	.	H	α-helix	trans	-62.4	-44.1	178.8	-60.6	0	0	0	0	111.5	L135 V136 A137 T142 I143	L135-S139 VanDerWaalsContact O-CB 3.29Å; L135-S139 WeakPolarHBondContact O-CB 3.49Å; L135-S139 PolarHBondContact O-N 3.47Å; L135-S139 PolarHBondContact O-OG 3.28Å; V136-S139 PolarHBondContact O-N 2.89Å; A137-S139 VanDerWaalsContact C-N 3.34Å; A137-S139 PolarHBondContact O-N 2.68Å; S139-T142 PolarHBondContact O-N 2.84Å; S139-I143 VanDerWaalsContact O-CG1 3.28Å; S139-I143 WeakPolarHBondContact O-CG1 3.49Å; S139-I143 PolarHBondContact O-N 2.86Å
140	L	81.9	Confident	72.4	Confident	109 Å²	109	81.7 Å²	81.7	57%	0.571	44%	0.444	S	S	*	.	H	α-helix	trans	-62.9	-44.1	176	-73.2	171.1	0	0	0	112.1	V136 A137 I138 T142 I143 L144	V136-L140 HydrophobicContact CG1-CD1 3.96Å; V136-L140 HydrophobicContact CG1-CG 4.41Å; V136-L140 WeakPolarHBondContact O-CB 3.17Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.38Å; V136-L140 PolarHBondContact O-N 2.88Å; A137-L140 PolarHBondContact O-N 2.89Å; I138-L140 PolarHBondContact O-N 3.44Å; L140-T142 VanDerWaalsContact C-N 3.3Å; L140-T142 PolarHBondContact O-N 2.87Å; L140-I143 PolarHBondContact O-N 3.31Å; L140-L144 WeakPolarHBondContact O-CB 3.3Å; L140-L144 PolarHBondContact O-N 2.89Å
141	L	79.5	Confident	73.6	Confident	90 Å²	90	81.2 Å²	81.2	47%	0.471	44%	0.44	S	S	.	.	H	α-helix	trans	-60.7	-41.2	174.5	-86.5	162.6	0	0	0	111.6	A137 I138 L144 C145	A137-L141 WeakPolarHBondContact O-CB 3.24Å; A137-L141 PolarHBondContact O-N 2.82Å; I138-L141 PolarHBondContact O-N 3.48Å; L141-L144 WeakPolarHBondContact O-CB 3.33Å; L141-L144 PolarHBondContact O-N 3.15Å; L141-C145 PolarHBondContact O-N 2.87Å; L141-C145 PolarHBondContact O-SG 3.43Å
142	T	77.5	Confident	74.5	Confident	58 Å²	58	78.3 Å²	78.3	36%	0.356	42%	0.42	S	S	.	.	H	α-helix	trans	-65.8	-43.3	178.9	-51.1	0	0	0	0	111.2	I138 S139 L140 L144 C145 I146	I138-T142 WeakPolarHBondContact O-CB 3.4Å; I138-T142 PolarHBondContact O-N 3.46Å; I138-T142 PolarHBondContact O-OG1 2.85Å; S139-T142 PolarHBondContact O-N 2.84Å; L140-T142 VanDerWaalsContact C-N 3.3Å; L140-T142 PolarHBondContact O-N 2.87Å; T142-L144 VanDerWaalsContact C-N 3.35Å; T142-L144 PolarHBondContact O-N 3.41Å; T142-C145 WeakPolarHBondContact O-CB 3.49Å; T142-C145 PolarHBondContact O-N 3.49Å; T142-I146 HydrophobicContact CG2-CD1 4.35Å; T142-I146 WeakPolarHBondContact O-CG1 3.46Å; T142-I146 PolarHBondContact O-N 3.28Å
143	I	82.3	Confident	75.3	Confident	96 Å²	96	74 Å²	74	49%	0.492	41%	0.406	S	S	.	.	H	α-helix	trans	-60.9	-45	175	-69.1	165.1	0	0	0	110.6	S139 L140 C145 I146 I147	S139-I143 VanDerWaalsContact O-CG1 3.28Å; S139-I143 WeakPolarHBondContact O-CG1 3.49Å; S139-I143 PolarHBondContact O-N 2.86Å; L140-I143 PolarHBondContact O-N 3.31Å; I143-C145 VanDerWaalsContact C-N 3.31Å; I143-C145 PolarHBondContact O-N 2.96Å; I143-I146 PolarHBondContact O-N 2.81Å; I143-I147 HydrophobicContact CG2-CD1 3.89Å; I143-I147 HydrophobicContact CG2-CG1 4.48Å; I143-I147 WeakPolarHBondContact O-CG1 3.34Å; I143-I147 PolarHBondContact O-N 3.22Å
144	L	80.1	Confident	75.8	Confident	97 Å²	97	70.9 Å²	70.9	51%	0.508	39%	0.393	S	S	.	.	H	α-helix	trans	-57.7	-45.3	176.7	-169.1	85.9	0	0	0	111.1	L140 L141 T142 I146 I147 L148	L140-L144 WeakPolarHBondContact O-CB 3.3Å; L140-L144 PolarHBondContact O-N 2.89Å; L141-L144 WeakPolarHBondContact O-CB 3.33Å; L141-L144 PolarHBondContact O-N 3.15Å; T142-L144 VanDerWaalsContact C-N 3.35Å; T142-L144 PolarHBondContact O-N 3.41Å; L144-I146 PolarHBondContact O-N 2.96Å; L144-I147 PolarHBondContact O-N 3.48Å; L144-L148 HydrophobicContact CG-CD1 4.41Å; L144-L148 WeakPolarHBondContact O-CG 3.21Å; L144-L148 PolarHBondContact O-N 3.39Å
145	C	76.3	Confident	76.4	Confident	10 Å²	10	68.1 Å²	68.1	7%	0.068	39%	0.385	C	S	.	.	H	α-helix	trans	-59.6	-43.9	176.2	-71.9	0	0	0	0	112.5	L141 T142 I143 I147 L148 F149 V204	L141-C145 PolarHBondContact O-N 2.87Å; L141-C145 PolarHBondContact O-SG 3.43Å; T142-C145 WeakPolarHBondContact O-CB 3.49Å; T142-C145 PolarHBondContact O-N 3.49Å; I143-C145 VanDerWaalsContact C-N 3.31Å; I143-C145 PolarHBondContact O-N 2.96Å; C145-I147 PolarHBondContact O-N 3.33Å; C145-L148 PolarHBondContact O-N 2.86Å; C145-F149 PolarHBondContact O-N 3.46Å; C145-V204 WeakPolarHBondContact SG-CG1 3.49Å
146	I	78.9	Confident	76.5	Confident	94 Å²	94	69.7 Å²	69.7	48%	0.482	39%	0.385	S	S	.	.	H	α-helix	trans	-62.2	-44.6	178.4	-67.6	166.2	0	0	0	110.5	T142 I143 L144 L148 F149 I150	T142-I146 HydrophobicContact CG2-CD1 4.35Å; T142-I146 WeakPolarHBondContact O-CG1 3.46Å; T142-I146 PolarHBondContact O-N 3.28Å; I143-I146 PolarHBondContact O-N 2.81Å; L144-I146 PolarHBondContact O-N 2.96Å; I146-L148 PolarHBondContact O-N 2.74Å; I146-F149 PolarHBondContact O-N 3.37Å; I146-I150 HydrophobicContact CG2-CD1 3.84Å; I146-I150 HydrophobicContact CG2-CG1 4.43Å; I146-I150 WeakPolarHBondContact O-CG1 3.34Å; I146-I150 PolarHBondContact O-N 2.87Å
147	I	80.5	Confident	76.4	Confident	92 Å²	92	72 Å²	72	47%	0.472	39%	0.389	S	S	.	.	H	α-helix	trans	-60.6	-46.9	177.9	-66.7	168.5	0	0	0	110.3	I143 L144 C145 F149 I150 V151	I143-I147 HydrophobicContact CG2-CD1 3.89Å; I143-I147 HydrophobicContact CG2-CG1 4.48Å; I143-I147 WeakPolarHBondContact O-CG1 3.34Å; I143-I147 PolarHBondContact O-N 3.22Å; L144-I147 PolarHBondContact O-N 3.48Å; C145-I147 PolarHBondContact O-N 3.33Å; I147-F149 VanDerWaalsContact C-N 3.3Å; I147-F149 PolarHBondContact O-N 2.92Å; I147-I150 PolarHBondContact O-N 2.88Å; I147-V151 HydrophobicContact CG2-CG2 4.33Å; I147-V151 WeakPolarHBondContact O-CG2 3.35Å; I147-V151 PolarHBondContact O-N 3.39Å
148	L	76.9	Confident	76	Confident	50 Å²	50	74.8 Å²	74.8	26%	0.262	40%	0.397	S	S	.	.	H	α-helix	trans	-60.5	-40.4	177.8	-70.3	173.5	0	0	0	111.8	L144 C145 I146 V151 S152 F197	L144-L148 HydrophobicContact CG-CD1 4.41Å; L144-L148 WeakPolarHBondContact O-CG 3.21Å; L144-L148 PolarHBondContact O-N 3.39Å; C145-L148 PolarHBondContact O-N 2.86Å; I146-L148 PolarHBondContact O-N 2.74Å; L148-V151 PolarHBondContact O-N 2.96Å; L148-S152 WeakPolarHBondContact O-CB 3.37Å; L148-S152 PolarHBondContact O-N 2.94Å; L148-S152 PolarHBondContact O-OG 3.22Å; L148-F197 HydrophobicContact CD2-CD1 4.13Å; L148-F197 HydrophobicContact CD2-CE1 4.07Å
149	F	74.2	Confident	75.5	Confident	76 Å²	76	76.8 Å²	76.8	33%	0.333	40%	0.402	S	S	.	.	H	α-helix	trans	-62.8	-45.5	174.7	-101.2	-79.9	0	0	0	112.2	C145 I146 I147 V151 S152 G153 L205	C145-F149 PolarHBondContact O-N 3.46Å; I146-F149 PolarHBondContact O-N 3.37Å; I147-F149 VanDerWaalsContact C-N 3.3Å; I147-F149 PolarHBondContact O-N 2.92Å; F149-V151 PolarHBondContact O-N 2.87Å; F149-S152 PolarHBondContact O-N 3.39Å; F149-S152 PolarHBondContact O-OG 3.44Å; F149-G153 PolarHBondContact O-N 2.7Å; F149-L205 HydrophobicContact CE2-CD2 4.38Å; F149-L205 HydrophobicContact CZ-CD2 4.43Å
150	I	77.9	Confident	74.8	Confident	104 Å²	104	80.6 Å²	80.6	53%	0.533	41%	0.407	S	S	.	.	H	α-helix	trans	-63.3	-43.7	178.3	-67	169.1	0	0	0	111	I146 I147 G153 T154	I146-I150 HydrophobicContact CG2-CD1 3.84Å; I146-I150 HydrophobicContact CG2-CG1 4.43Å; I146-I150 WeakPolarHBondContact O-CG1 3.34Å; I146-I150 PolarHBondContact O-N 2.87Å; I147-I150 PolarHBondContact O-N 2.88Å; I150-G153 PolarHBondContact O-N 3.35Å; I150-T154 HydrophobicContact CG2-CG2 4.35Å; I150-T154 WeakPolarHBondContact O-CB 3.43Å; I150-T154 WeakPolarHBondContact O-CG2 3.26Å; I150-T154 PolarHBondContact O-N 2.73Å; I150-T154 PolarHBondContact O-OG1 2.98Å
151	V	76.9	Confident	73.8	Confident	63 Å²	63	84 Å²	84	38%	0.382	41%	0.412	S	S	.	.	H	α-helix	trans	-63.7	-44.9	177.6	173.6	0	0	0	0	110.5	I147 L148 F149 G153 T154 L155	I147-V151 HydrophobicContact CG2-CG2 4.33Å; I147-V151 WeakPolarHBondContact O-CG2 3.35Å; I147-V151 PolarHBondContact O-N 3.39Å; L148-V151 PolarHBondContact O-N 2.96Å; F149-V151 PolarHBondContact O-N 2.87Å; V151-G153 PolarHBondContact O-N 2.95Å; V151-T154 WeakPolarHBondContact CA-OG1 3.25Å; V151-T154 PolarHBondContact O-N 3.23Å; V151-T154 PolarHBondContact O-OG1 2.93Å; V151-L155 HydrophobicContact CG1-CD1 3.9Å; V151-L155 HydrophobicContact CG1-CG 4.4Å; V151-L155 WeakPolarHBondContact O-CB 3.35Å; V151-L155 VanDerWaalsContact O-CG 3.27Å; V151-L155 WeakPolarHBondContact O-CG 3.42Å; V151-L155 PolarHBondContact O-N 3.34Å
152	S	71.6	Confident	72.8	Confident	6 Å²	6	86.4 Å²	86.4	4%	0.042	42%	0.419	C	S	.	.	H	α-helix	trans	-63	-41.3	177.3	72.5	0	0	0	0	112.4	L148 F149 Y156	L148-S152 WeakPolarHBondContact O-CB 3.37Å; L148-S152 PolarHBondContact O-N 2.94Å; L148-S152 PolarHBondContact O-OG 3.22Å; F149-S152 PolarHBondContact O-N 3.39Å; F149-S152 PolarHBondContact O-OG 3.44Å; S152-Y156 WeakPolarHBondContact O-CB 3.2Å; S152-Y156 PolarHBondContact O-N 3.49Å
153	G	73.1	Confident	71.7	Confident	39 Å²	39	87 Å²	87	40%	0.402	43%	0.426	S	S	.	.	H	α-helix	trans	-67.2	-41.1	178.1	0	0	0	0	0	112.9	F149 I150 V151 Y156 F157	F149-G153 PolarHBondContact O-N 2.7Å; I150-G153 PolarHBondContact O-N 3.35Å; V151-G153 PolarHBondContact O-N 2.95Å; G153-Y156 PolarHBondContact O-N 3.27Å; G153-F157 WeakPolarHBondContact O-CB 3.45Å; G153-F157 PolarHBondContact O-N 3.5Å
154	T	74.1	Confident	69.9	Low	72 Å²	72	87.8 Å²	87.8	44%	0.442	43%	0.431	S	S	.	.	H	α-helix	trans	-67.9	-42	176.8	49.3	0	0	0	0	111.6	I150 V151 F157 L158	I150-T154 HydrophobicContact CG2-CG2 4.35Å; I150-T154 WeakPolarHBondContact O-CB 3.43Å; I150-T154 WeakPolarHBondContact O-CG2 3.26Å; I150-T154 PolarHBondContact O-N 2.73Å; I150-T154 PolarHBondContact O-OG1 2.98Å; V151-T154 WeakPolarHBondContact CA-OG1 3.25Å; V151-T154 PolarHBondContact O-N 3.23Å; V151-T154 PolarHBondContact O-OG1 2.93Å; T154-F157 PolarHBondContact O-N 3.49Å; T154-L158 WeakPolarHBondContact O-CB 3.47Å; T154-L158 VanDerWaalsContact O-CG 3.3Å; T154-L158 WeakPolarHBondContact O-CG 3.22Å; T154-L158 PolarHBondContact O-N 3.27Å
155	L	72.9	Confident	68.2	Low	53 Å²	53	86 Å²	86	28%	0.277	43%	0.43	S	S	.	.	H	α-helix	trans	-61.3	-44.1	173.6	-72.1	172.8	0	0	0	112	V151 F157 L158 W159 L190	V151-L155 HydrophobicContact CG1-CD1 3.9Å; V151-L155 HydrophobicContact CG1-CG 4.4Å; V151-L155 WeakPolarHBondContact O-CB 3.35Å; V151-L155 VanDerWaalsContact O-CG 3.27Å; V151-L155 WeakPolarHBondContact O-CG 3.42Å; V151-L155 PolarHBondContact O-N 3.34Å; L155-F157 PolarHBondContact O-N 3.36Å; L155-L158 PolarHBondContact O-N 3.45Å; L155-W159 WeakPolarHBondContact O-CB 3.29Å; L155-W159 PolarHBondContact O-N 2.88Å; L155-L190 HydrophobicContact CD2-CD2 4.41Å
156	Y	70.2	Confident	66.3	Low	128 Å²	128	91.2 Å²	91.2	50%	0.502	46%	0.463	S	S	.	.	H	α-helix	trans	-62.1	-42.3	175.7	-180	-100	0	0	0	112.2	S152 G153 W159 R160	S152-Y156 WeakPolarHBondContact O-CB 3.2Å; S152-Y156 PolarHBondContact O-N 3.49Å; G153-Y156 PolarHBondContact O-N 3.27Å; Y156-W159 HydrophobicContact CE2-CE3 4.41Å; Y156-W159 PolarHBondContact O-N 2.84Å; Y156-R160 PolarHBondContact O-N 2.91Å
157	F	71.6	Confident	64.6	Low	127 Å²	127	94 Å²	94	56%	0.557	48%	0.478	S	S	*	.	H	α-helix	trans	-64.2	-42.7	176.8	-176.6	-96.8	0	0	0	112.2	G153 T154 L155 R160 R161	G153-F157 WeakPolarHBondContact O-CB 3.45Å; G153-F157 PolarHBondContact O-N 3.5Å; T154-F157 PolarHBondContact O-N 3.49Å; L155-F157 PolarHBondContact O-N 3.36Å; F157-R160 PolarHBondContact O-N 2.95Å; F157-R161 WeakPolarHBondContact O-CB 3.29Å; F157-R161 PolarHBondContact O-N 3.34Å
158	L	66.9	Low	62.5	Low	106 Å²	106	91.4 Å²	91.4	56%	0.555	47%	0.474	S	S	*	.	H	α-helix	trans	-63.3	-40.9	175.9	-72.5	172.3	0	0	0	111.9	T154 L155 R161 K162	T154-L158 WeakPolarHBondContact O-CB 3.47Å; T154-L158 VanDerWaalsContact O-CG 3.3Å; T154-L158 WeakPolarHBondContact O-CG 3.22Å; T154-L158 PolarHBondContact O-N 3.27Å; L155-L158 PolarHBondContact O-N 3.45Å; L158-R161 PolarHBondContact O-N 3.46Å; L158-K162 PolarHBondContact O-N 2.89Å
159	W	64.5	Low	60.5	Low	81 Å²	81	100 Å²	100	31%	0.307	50%	0.502	S	S	.	.	H	α-helix	trans	-61.2	-50.5	175	-178.3	75.6	0	0	0	111.4	L155 Y156 R161 K162 S163	L155-W159 WeakPolarHBondContact O-CB 3.29Å; L155-W159 PolarHBondContact O-N 2.88Å; Y156-W159 HydrophobicContact CE2-CE3 4.41Å; Y156-W159 PolarHBondContact O-N 2.84Å; W159-R161 VanDerWaalsContact C-N 3.28Å; W159-R161 PolarHBondContact O-N 3.5Å; W159-K162 WeakPolarHBondContact O-CB 3.48Å; W159-K162 PolarHBondContact O-N 3.4Å; W159-S163 PolarHBondContact O-N 2.92Å; W159-S163 PolarHBondContact O-OG 3.26Å
160	R	62.4	Low	58.9	Low	142 Å²	142	102.2 Å²	102.2	54%	0.536	52%	0.518	S	S	.	.	H	α-helix	trans	-58.6	-39.7	179	-165	-176.3	-176.6	172	6.5	112.4	Y156 F157 K162 S163 D164	Y156-R160 PolarHBondContact O-N 2.91Å; F157-R160 PolarHBondContact O-N 2.95Å; R160-K162 VanDerWaalsContact C-N 3.26Å; R160-K162 PolarHBondContact O-N 3.26Å; R160-S163 PolarHBondContact O-N 3.02Å; R160-D164 IonicContact NE-OD2 3.36Å; R160-D164 PolarHBondContact O-N 2.85Å
161	R	62	Low	56.9	Low	181 Å²	181	105.7 Å²	105.7	68%	0.683	53%	0.526	S	S	*	.	H	α-helix	trans	-66.1	-27.5	178.2	-159.6	177.8	-177.5	174.9	1.1	113	F157 L158 W159	F157-R161 WeakPolarHBondContact O-CB 3.29Å; F157-R161 PolarHBondContact O-N 3.34Å; L158-R161 PolarHBondContact O-N 3.46Å; W159-R161 VanDerWaalsContact C-N 3.28Å; W159-R161 PolarHBondContact O-N 3.5Å
162	K	58.2	Low	55	Low	139 Å²	139	109 Å²	109	60%	0.604	54%	0.54	S	S	*	.	H	α-helix	trans	-79.3	-34	174.5	-160.1	179.8	178	-165.5	0	111.6	L158 W159 R160	L158-K162 PolarHBondContact O-N 2.89Å; W159-K162 WeakPolarHBondContact O-CB 3.48Å; W159-K162 PolarHBondContact O-N 3.4Å; R160-K162 VanDerWaalsContact C-N 3.26Å; R160-K162 PolarHBondContact O-N 3.26Å
163	S	53.3	Low	53.4	Low	71 Å²	71	114.7 Å²	114.7	50%	0.497	57%	0.568	S	S	.	*	H	α-helix	trans	-73.4	-30	175.4	-54.3	0	0	0	0	113.8	W159 R160	W159-S163 PolarHBondContact O-N 2.92Å; W159-S163 PolarHBondContact O-OG 3.26Å; R160-S163 PolarHBondContact O-N 3.02Å
164	D	46.4	Very low	51.6	Low	113 Å²	113	117.5 Å²	117.5	60%	0.604	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	11.3	176.5	-70.4	-29.4	0	0	0	113.1	R160 P166	R160-D164 IonicContact NE-OD2 3.36Å; R160-D164 PolarHBondContact O-N 2.85Å; D164-P166 WeakPolarHBondContact O-CD 3.47Å
165	A	43.2	Very low	49.8	Very low	59 Å²	59	118.1 Å²	118.1	49%	0.488	59%	0.591	S	S	.	*	S	Bend	trans	-62.8	121.3	171.2	0	0	0	0	0	108.4	I167	A165-I167 PolarHBondContact O-N 3.33Å; A165-I167 VanDerWaalsContact O-N 3.13Å
166	P	37.4	Very low	48	Very low	119 Å²	119	122.6 Å²	122.6	77%	0.773	61%	0.614	S	S	*	*			trans	-58.3	127.1	177.4	24.5	-30.8	0	0	0	106.7	D164 G168	D164-P166 WeakPolarHBondContact O-CD 3.47Å; P166-G168 PolarHBondContact O-N 2.92Å
167	I	43.2	Very low	46.2	Very low	153 Å²	153	122.2 Å²	122.2	79%	0.785	62%	0.621	S	S	*	*			trans	-57.9	91.1	167.8	-64	169	0	0	0	105.3	A165 R169	A165-I167 PolarHBondContact O-N 3.33Å; A165-I167 VanDerWaalsContact O-N 3.13Å; I167-R169 PolarHBondContact O-N 2.85Å
168	G	36.1	Very low	44.1	Very low	37 Å²	37	122.7 Å²	122.7	38%	0.381	64%	0.638	S	S	.	*			trans	-56.1	135.3	172.4	0	0	0	0	0	106.3	P166 D170 Y171	P166-G168 PolarHBondContact O-N 2.92Å; G168-D170 PolarHBondContact O-N 3.45Å; G168-Y171 PolarHBondContact O-N 3.38Å
169	R	34.1	Very low	42.3	Very low	230 Å²	230	124.8 Å²	124.8	87%	0.868	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	21.8	-176.2	-148.6	-171.8	-84.2	-172.4	-6.1	113.8	I167	I167-R169 PolarHBondContact O-N 2.85Å
170	D	40.4	Very low	40.7	Very low	124 Å²	124	128.5 Å²	128.5	66%	0.663	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.9	-11.3	177.2	-77.1	-28.5	0	0	0	113.7	G168 I172 I173	G168-D170 PolarHBondContact O-N 3.45Å; D170-I172 VanDerWaalsContact C-N 3.25Å; D170-I172 PolarHBondContact O-N 2.9Å; D170-I173 PolarHBondContact O-N 3.38Å
171	Y	36.3	Very low	39.2	Very low	177 Å²	177	130.7 Å²	130.7	69%	0.694	69%	0.692	S	S	*	*	H	α-helix	trans	-75.4	-9.7	175.8	-83.6	-85.2	0	0	0	114.5	G168	G168-Y171 PolarHBondContact O-N 3.38Å
172	I	36.3	Very low	37.9	Very low	132 Å²	132	125.8 Å²	125.8	68%	0.677	70%	0.698	S	S	*	*	H	α-helix	trans	-80.4	-18.8	175.9	-63	179.6	0	0	0	111.5	D170	D170-I172 VanDerWaalsContact C-N 3.25Å; D170-I172 PolarHBondContact O-N 2.9Å
173	I	38.4	Very low	36.8	Very low	125 Å²	125	127.7 Å²	127.7	64%	0.641	71%	0.708	S	S	*	*	H	α-helix	trans	-88.9	-29	179.6	-58.8	-175.6	0	0	0	111.5	D170	D170-I173 PolarHBondContact O-N 3.38Å
174	T	36.8	Very low	36.1	Very low	98 Å²	98	129.2 Å²	129.2	60%	0.601	72%	0.719	S	S	*	*	H	α-helix	trans	-79.5	-20.7	177.4	-40.1	0	0	0	0	113.3	L176 N177	T174-L176 PolarHBondContact O-N 3.48Å; T174-N177 PolarHBondContact O-N 3.39Å
175	A	35.2	Very low	36.2	Very low	86 Å²	86	130.6 Å²	130.6	71%	0.711	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-2.9	175.9	0	0	0	0	0	114.5
176	L	35.6	Very low	36.3	Very low	146 Å²	146	131 Å²	131	76%	0.764	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-5.7	173.3	-86.1	159.2	0	0	0	113.5	T174	T174-L176 PolarHBondContact O-N 3.48Å
177	N	31.2	Very low	36.9	Very low	121 Å²	121	128.7 Å²	128.7	65%	0.647	71%	0.707	S	S	*	*	S	Bend	trans	-102.3	116.4	166.8	-81	-12.8	0	0	0	108	T174 D179	T174-N177 PolarHBondContact O-N 3.39Å; N177-D179 PolarHBondContact O-N 3.31Å
178	C	28.5	Very low	37.5	Very low	137 Å²	137	126.3 Å²	126.3	93%	0.926	70%	0.696	S	S	*	*			trans	-66.6	67.7	171.9	-62.8	0	0	0	0	110.9
179	D	29.7	Very low	38.4	Very low	150 Å²	150	131.5 Å²	131.5	80%	0.802	71%	0.708	S	S	*	*			trans	-98.9	107.1	162.3	-94.5	-25.6	0	0	0	108.6	N177 E181	N177-D179 PolarHBondContact O-N 3.31Å; D179-E181 PolarHBondContact O-N 3.46Å
180	D	31.2	Very low	39.4	Very low	159 Å²	159	123.9 Å²	123.9	85%	0.85	68%	0.684	S	S	*	*			trans	-78.6	85.5	174.8	-167.1	16.9	0	0	0	108.6
181	E	30.7	Very low	40.2	Very low	188 Å²	188	123 Å²	123	88%	0.879	67%	0.673	S	S	*	*			trans	-134.8	91.5	162.5	-78.1	-160.1	159.4	0	0	111.9	D179	D179-E181 PolarHBondContact O-N 3.46Å
182	G	33.4	Very low	41.3	Very low	77 Å²	77	118.2 Å²	118.2	79%	0.794	66%	0.659	S	S	*	*			trans	72.5	58.1	131.2	0	0	0	0	0	118.4
183	H	36	Very low	42.5	Very low	179 Å²	179	113.6 Å²	113.6	83%	0.829	64%	0.636	S	S	*	*			trans	-100	120.9	159.9	-119.4	61.8	0	0	0	110.5
184	S	38.1	Very low	43.4	Very low	104 Å²	104	108.5 Å²	108.5	73%	0.727	61%	0.613	S	S	*	*	S	Bend	trans	153.1	6.2	139.1	61.9	0	0	0	0	118
185	N	47.7	Very low	44.4	Very low	141 Å²	141	109.9 Å²	109.9	75%	0.754	61%	0.611	S	S	*	*	S	Bend	trans	-106.3	-18.2	-179.6	-100.7	-8.7	0	0	0	117	F189	N185-F189 WeakPolarHBondContact O-CB 3.31Å; N185-F189 PolarHBondContact O-N 2.99Å
186	S	47	Very low	45.8	Very low	68 Å²	68	110.4 Å²	110.4	48%	0.476	60%	0.601	S	S	.	*	H	α-helix	trans	-79.1	-33.7	-173.8	70.8	0	0	0	0	114.2	F189 L190	S186-F189 PolarHBondContact O-N 2.91Å; S186-L190 PolarHBondContact O-N 3.35Å
187	D	50.1	Low	46.9	Very low	70 Å²	70	107.1 Å²	107.1	37%	0.374	58%	0.581	S	S	.	*	H	α-helix	trans	-79.5	-35	-171.1	-67.7	-11.7	0	0	0	111.5	Y191	D187-Y191 VanDerWaalsContact O-CB 3.32Å; D187-Y191 WeakPolarHBondContact O-CB 3.46Å; D187-Y191 PolarHBondContact O-N 2.92Å
188	D	55.5	Low	48.3	Very low	104 Å²	104	105.8 Å²	105.8	56%	0.556	57%	0.573	S	S	*	*	H	α-helix	trans	-68	-35.4	169.5	-108.7	3.8	0	0	0	111.7	N192	D188-N192 VanDerWaalsContact O-CB 3.23Å; D188-N192 WeakPolarHBondContact O-CB 3.43Å; D188-N192 VanDerWaalsContact O-CG 3.22Å; D188-N192 PolarHBondContact O-N 2.93Å; D188-N192 PolarHBondContact O-ND2 3.39Å
189	F	54.6	Low	50	Low	146 Å²	146	102.6 Å²	102.6	64%	0.64	55%	0.552	S	S	*	*	H	α-helix	trans	-65.8	-49.6	176.4	-177.2	-99.7	0	0	0	111.7	N185 S186 Y191 N192 V193	N185-F189 WeakPolarHBondContact O-CB 3.31Å; N185-F189 PolarHBondContact O-N 2.99Å; S186-F189 PolarHBondContact O-N 2.91Å; F189-Y191 VanDerWaalsContact C-N 3.35Å; F189-Y191 PolarHBondContact O-N 2.81Å; F189-N192 PolarHBondContact O-N 3.5Å; F189-V193 HydrophobicContact CD1-CG2 4.09Å; F189-V193 HydrophobicContact CD2-CG2 4.39Å; F189-V193 HydrophobicContact CE1-CG2 3.78Å; F189-V193 HydrophobicContact CE2-CG2 4.09Å; F189-V193 HydrophobicContact CG-CG2 4.39Å; F189-V193 HydrophobicContact CZ-CG2 3.78Å; F189-V193 WeakPolarHBondContact O-CB 3.31Å; F189-V193 WeakPolarHBondContact O-CG2 3.28Å; F189-V193 PolarHBondContact O-N 3.3Å
190	L	55.5	Low	51.7	Low	70 Å²	70	99.4 Å²	99.4	37%	0.366	53%	0.534	S	S	.	.	H	α-helix	trans	-63	-39.5	178	-95.5	152.3	0	0	0	112.4	L155 S186 A194	L155-L190 HydrophobicContact CD2-CD2 4.41Å; S186-L190 PolarHBondContact O-N 3.35Å; L190-A194 WeakPolarHBondContact O-CB 3.38Å; L190-A194 PolarHBondContact O-N 3.48Å
191	Y	56.5	Low	53.1	Low	106 Å²	106	92 Å²	92	42%	0.416	50%	0.495	S	S	.	.	H	α-helix	trans	-64.3	-46.8	174.9	179	-97.3	0	0	0	111.9	D187 F189 V193 A194 K195	D187-Y191 VanDerWaalsContact O-CB 3.32Å; D187-Y191 WeakPolarHBondContact O-CB 3.46Å; D187-Y191 PolarHBondContact O-N 2.92Å; F189-Y191 VanDerWaalsContact C-N 3.35Å; F189-Y191 PolarHBondContact O-N 2.81Å; Y191-V193 PolarHBondContact O-N 3.24Å; Y191-A194 PolarHBondContact O-N 2.91Å; Y191-K195 HydrophobicContact CE1-CD 4.23Å; Y191-K195 VanDerWaalsContact O-CB 3.31Å; Y191-K195 WeakPolarHBondContact O-CB 3.17Å; Y191-K195 PolarHBondContact O-N 3.21Å
192	N	59.1	Low	54.5	Low	76 Å²	76	85.8 Å²	85.8	41%	0.406	47%	0.472	S	S	.	.	H	α-helix	trans	-64.7	-39.6	177.9	-76.4	-44.8	0	0	0	111.9	D188 F189 K195 I196	D188-N192 VanDerWaalsContact O-CB 3.23Å; D188-N192 WeakPolarHBondContact O-CB 3.43Å; D188-N192 VanDerWaalsContact O-CG 3.22Å; D188-N192 PolarHBondContact O-N 2.93Å; D188-N192 PolarHBondContact O-ND2 3.39Å; F189-N192 PolarHBondContact O-N 3.5Å; N192-K195 PolarHBondContact O-N 2.89Å; N192-I196 WeakPolarHBondContact O-CD1 3.33Å; N192-I196 VanDerWaalsContact O-CG1 3.22Å; N192-I196 WeakPolarHBondContact O-CG1 3.23Å; N192-I196 PolarHBondContact O-N 3.48Å
193	V	61	Low	55.9	Low	34 Å²	34	85.5 Å²	85.5	21%	0.206	46%	0.458	C	S	.	.	H	α-helix	trans	-64	-47.9	175.3	170.5	0	0	0	0	110.8	F189 Y191 K195 I196 F197	F189-V193 HydrophobicContact CD1-CG2 4.09Å; F189-V193 HydrophobicContact CD2-CG2 4.39Å; F189-V193 HydrophobicContact CE1-CG2 3.78Å; F189-V193 HydrophobicContact CE2-CG2 4.09Å; F189-V193 HydrophobicContact CG-CG2 4.39Å; F189-V193 HydrophobicContact CZ-CG2 3.78Å; F189-V193 WeakPolarHBondContact O-CB 3.31Å; F189-V193 WeakPolarHBondContact O-CG2 3.28Å; F189-V193 PolarHBondContact O-N 3.3Å; Y191-V193 PolarHBondContact O-N 3.24Å; V193-K195 VanDerWaalsContact C-N 3.31Å; V193-K195 PolarHBondContact O-N 3.48Å; V193-I196 PolarHBondContact O-N 3.05Å; V193-F197 HydrophobicContact CG1-CD2 3.59Å; V193-F197 HydrophobicContact CG1-CE2 3.54Å; V193-F197 WeakPolarHBondContact O-CD2 3.36Å; V193-F197 PolarHBondContact O-N 3.45Å
194	A	57.9	Low	57.1	Low	19 Å²	19	79 Å²	79	16%	0.157	43%	0.431	C	S	.	.	H	α-helix	trans	-60.2	-40.9	176.5	0	0	0	0	0	111.9	L190 Y191 F197 L198	L190-A194 WeakPolarHBondContact O-CB 3.38Å; L190-A194 PolarHBondContact O-N 3.48Å; Y191-A194 PolarHBondContact O-N 2.91Å; A194-F197 PolarHBondContact O-N 2.94Å; A194-L198 WeakPolarHBondContact O-CB 3.22Å; A194-L198 PolarHBondContact O-N 3.36Å
195	K	58.8	Low	58.2	Low	126 Å²	126	77.5 Å²	77.5	55%	0.548	41%	0.414	S	S	.	.	H	α-helix	trans	-64.6	-40.6	176.6	-169.5	177.6	-179.5	179.2	0	112.4	Y191 N192 V193 L198 S199	Y191-K195 HydrophobicContact CE1-CD 4.23Å; Y191-K195 VanDerWaalsContact O-CB 3.31Å; Y191-K195 WeakPolarHBondContact O-CB 3.17Å; Y191-K195 PolarHBondContact O-N 3.21Å; N192-K195 PolarHBondContact O-N 2.89Å; V193-K195 VanDerWaalsContact C-N 3.31Å; V193-K195 PolarHBondContact O-N 3.48Å; K195-L198 PolarHBondContact O-N 2.99Å; K195-S199 VanDerWaalsContact O-CB 3.26Å; K195-S199 WeakPolarHBondContact O-CB 3.32Å; K195-S199 PolarHBondContact O-N 3.19Å
196	I	63.3	Low	59.1	Low	97 Å²	97	75.2 Å²	75.2	50%	0.497	40%	0.401	S	S	.	.	H	α-helix	trans	-64	-47.6	174.9	-70.3	163.8	0	0	0	110.3	N192 V193 L198 S199 I200	N192-I196 WeakPolarHBondContact O-CD1 3.33Å; N192-I196 VanDerWaalsContact O-CG1 3.22Å; N192-I196 WeakPolarHBondContact O-CG1 3.23Å; N192-I196 PolarHBondContact O-N 3.48Å; V193-I196 PolarHBondContact O-N 3.05Å; I196-L198 VanDerWaalsContact C-N 3.35Å; I196-L198 PolarHBondContact O-N 3.02Å; I196-S199 PolarHBondContact O-N 3.42Å; I196-I200 HydrophobicContact CG2-CD1 3.62Å; I196-I200 HydrophobicContact CG2-CG1 4.32Å; I196-I200 VanDerWaalsContact O-CG1 3.29Å; I196-I200 WeakPolarHBondContact O-CG1 3.36Å; I196-I200 PolarHBondContact O-N 3.44Å
197	F	58.9	Low	59.8	Low	78 Å²	78	79 Å²	79	34%	0.342	41%	0.413	S	S	.	.	H	α-helix	trans	-62.9	-39.9	178.2	-83.8	-70.9	0	0	0	112.5	L148 V193 A194 G201	L148-F197 HydrophobicContact CD2-CD1 4.13Å; L148-F197 HydrophobicContact CD2-CE1 4.07Å; V193-F197 HydrophobicContact CG1-CD2 3.59Å; V193-F197 HydrophobicContact CG1-CE2 3.54Å; V193-F197 WeakPolarHBondContact O-CD2 3.36Å; V193-F197 PolarHBondContact O-N 3.45Å; A194-F197 PolarHBondContact O-N 2.94Å; F197-G201 PolarHBondContact O-N 2.95Å
198	L	61.4	Low	60.3	Low	92 Å²	92	77.4 Å²	77.4	48%	0.482	41%	0.406	S	S	.	.	H	α-helix	trans	-66.2	-39.8	175.2	-147.4	86.9	0	0	0	111.6	A194 K195 I196 G201 C202	A194-L198 WeakPolarHBondContact O-CB 3.22Å; A194-L198 PolarHBondContact O-N 3.36Å; K195-L198 PolarHBondContact O-N 2.99Å; I196-L198 VanDerWaalsContact C-N 3.35Å; I196-L198 PolarHBondContact O-N 3.02Å; L198-G201 PolarHBondContact O-N 3.49Å; L198-C202 WeakPolarHBondContact O-CB 3.37Å; L198-C202 PolarHBondContact O-N 2.88Å
199	S	64.8	Low	60.6	Low	71 Å²	71	77 Å²	77	50%	0.497	40%	0.402	S	S	.	.	H	α-helix	trans	-65.8	-43.8	177.3	-175.7	0	0	0	0	112.1	K195 I196 S203	K195-S199 VanDerWaalsContact O-CB 3.26Å; K195-S199 WeakPolarHBondContact O-CB 3.32Å; K195-S199 PolarHBondContact O-N 3.19Å; I196-S199 PolarHBondContact O-N 3.42Å; S199-S203 WeakPolarHBondContact O-CB 3.32Å; S199-S203 PolarHBondContact O-N 2.97Å; S199-S203 PolarHBondContact O-OG 2.88Å
200	I	63.6	Low	61	Low	82 Å²	82	76.9 Å²	76.9	42%	0.421	40%	0.402	S	S	.	.	H	α-helix	trans	-65.5	-47.2	175.3	-66.3	168.9	0	0	0	109.3	I196 C202 S203 V204	I196-I200 HydrophobicContact CG2-CD1 3.62Å; I196-I200 HydrophobicContact CG2-CG1 4.32Å; I196-I200 VanDerWaalsContact O-CG1 3.29Å; I196-I200 WeakPolarHBondContact O-CG1 3.36Å; I196-I200 PolarHBondContact O-N 3.44Å; I200-C202 PolarHBondContact O-N 3.37Å; I200-S203 PolarHBondContact O-N 3.41Å; I200-S203 VanDerWaalsContact O-N 3.15Å; I200-V204 HydrophobicContact CG2-CG2 4.2Å; I200-V204 VanDerWaalsContact O-CG2 3.3Å; I200-V204 WeakPolarHBondContact O-CG2 3.27Å; I200-V204 PolarHBondContact O-N 2.97Å
201	G	60.7	Low	61	Low	3 Å²	3	77.9 Å²	77.9	3%	0.031	40%	0.403	C	S	.	.	H	α-helix	trans	-56.5	-46.8	177.4	0	0	0	0	0	112.7	F197 L198 L205	F197-G201 PolarHBondContact O-N 2.95Å; L198-G201 PolarHBondContact O-N 3.49Å; G201-L205 VanDerWaalsContact O-CB 3.25Å; G201-L205 WeakPolarHBondContact O-CB 3.38Å; G201-L205 PolarHBondContact O-N 2.92Å
202	C	60.5	Low	60.9	Low	59 Å²	59	77.3 Å²	77.3	40%	0.399	41%	0.406	S	S	.	.	H	α-helix	trans	-63.8	-42.7	174.5	-94.3	0	0	0	0	112.6	L198 I200 L205 I206	L198-C202 WeakPolarHBondContact O-CB 3.37Å; L198-C202 PolarHBondContact O-N 2.88Å; I200-C202 PolarHBondContact O-N 3.37Å; C202-L205 PolarHBondContact O-N 2.98Å; C202-I206 WeakPolarHBondContact O-CB 3.41Å; C202-I206 WeakPolarHBondContact O-CD1 3.45Å; C202-I206 WeakPolarHBondContact O-CG1 3.34Å; C202-I206 PolarHBondContact O-N 3.38Å
203	S	63.5	Low	60.8	Low	70 Å²	70	77.4 Å²	77.4	49%	0.49	41%	0.412	S	S	.	.	H	α-helix	trans	-64.1	-43.5	-179.3	-59.2	0	0	0	0	111.4	S199 I200 I206 M207	S199-S203 WeakPolarHBondContact O-CB 3.32Å; S199-S203 PolarHBondContact O-N 2.97Å; S199-S203 PolarHBondContact O-OG 2.88Å; I200-S203 PolarHBondContact O-N 3.41Å; I200-S203 VanDerWaalsContact O-N 3.15Å; S203-I206 PolarHBondContact O-N 3.43Å; S203-M207 WeakPolarHBondContact O-CB 3.34Å; S203-M207 PolarHBondContact O-N 2.96Å
204	V	60.9	Low	60.4	Low	44 Å²	44	82.6 Å²	82.6	27%	0.267	44%	0.439	S	S	.	.	H	α-helix	trans	-68.2	-41.9	177.1	-179.1	0	0	0	0	110.6	C145 I200 I206 M207 V208	C145-V204 WeakPolarHBondContact SG-CG1 3.49Å; I200-V204 HydrophobicContact CG2-CG2 4.2Å; I200-V204 VanDerWaalsContact O-CG2 3.3Å; I200-V204 WeakPolarHBondContact O-CG2 3.27Å; I200-V204 PolarHBondContact O-N 2.97Å; V204-I206 PolarHBondContact O-N 3.23Å; V204-M207 WeakPolarHBondContact O-CB 3.43Å; V204-M207 PolarHBondContact O-N 3.28Å; V204-M207 VanDerWaalsContact O-N 3.14Å; V204-V208 HydrophobicContact CG1-CG2 4.41Å; V204-V208 WeakPolarHBondContact O-CG2 3.46Å; V204-V208 PolarHBondContact O-N 3.35Å
205	L	61.9	Low	60	Low	71 Å²	71	86.3 Å²	86.3	37%	0.372	46%	0.455	S	S	.	.	H	α-helix	trans	-61.2	-43	176.3	-168.4	74.9	0	0	0	111.7	F149 G201 C202 M207 V208 I209	F149-L205 HydrophobicContact CE2-CD2 4.38Å; F149-L205 HydrophobicContact CZ-CD2 4.43Å; G201-L205 VanDerWaalsContact O-CB 3.25Å; G201-L205 WeakPolarHBondContact O-CB 3.38Å; G201-L205 PolarHBondContact O-N 2.92Å; C202-L205 PolarHBondContact O-N 2.98Å; L205-M207 VanDerWaalsContact C-N 3.31Å; L205-M207 PolarHBondContact O-N 3.22Å; L205-V208 PolarHBondContact O-N 3.01Å; L205-I209 HydrophobicContact CD2-CD1 4.39Å; L205-I209 HydrophobicContact CG-CD1 3.97Å; L205-I209 WeakPolarHBondContact O-CB 3.48Å; L205-I209 VanDerWaalsContact O-CG1 3.24Å; L205-I209 WeakPolarHBondContact O-CG1 3.3Å; L205-I209 PolarHBondContact O-N 3.03Å
206	I	65.2	Low	59.4	Low	93 Å²	93	89.8 Å²	89.8	48%	0.477	48%	0.478	S	S	.	.	H	α-helix	trans	-63.1	-39.6	175	-69.9	164.7	0	0	0	110.7	C202 S203 V204 I209 K210	C202-I206 WeakPolarHBondContact O-CB 3.41Å; C202-I206 WeakPolarHBondContact O-CD1 3.45Å; C202-I206 WeakPolarHBondContact O-CG1 3.34Å; C202-I206 PolarHBondContact O-N 3.38Å; S203-I206 PolarHBondContact O-N 3.43Å; V204-I206 PolarHBondContact O-N 3.23Å; I206-I209 PolarHBondContact O-N 2.91Å; I206-K210 HydrophobicContact CG2-CD 4.31Å; I206-K210 HydrophobicContact CG2-CG 4.47Å; I206-K210 WeakPolarHBondContact O-CB 3.46Å; I206-K210 WeakPolarHBondContact O-CG 3.35Å; I206-K210 PolarHBondContact O-N 3.3Å
207	M	62.4	Low	59.2	Low	147 Å²	147	89.4 Å²	89.4	72%	0.724	48%	0.477	S	S	*	.	H	α-helix	trans	-63	-45.4	176.5	-135.2	177.9	-161.5	0	0	111	S203 V204 L205 K210 F211	S203-M207 WeakPolarHBondContact O-CB 3.34Å; S203-M207 PolarHBondContact O-N 2.96Å; V204-M207 WeakPolarHBondContact O-CB 3.43Å; V204-M207 PolarHBondContact O-N 3.28Å; V204-M207 VanDerWaalsContact O-N 3.14Å; L205-M207 VanDerWaalsContact C-N 3.31Å; L205-M207 PolarHBondContact O-N 3.22Å; M207-K210 PolarHBondContact O-N 3.06Å; M207-F211 WeakPolarHBondContact O-CB 3.35Å; M207-F211 PolarHBondContact O-N 3.13Å
208	V	60.1	Low	59.2	Low	38 Å²	38	90 Å²	90	23%	0.23	48%	0.484	C	S	.	.	H	α-helix	trans	-63.3	-44.4	176.5	173.4	0	0	0	0	111	V204 L205 F211 M212	V204-V208 HydrophobicContact CG1-CG2 4.41Å; V204-V208 WeakPolarHBondContact O-CG2 3.46Å; V204-V208 PolarHBondContact O-N 3.35Å; L205-V208 PolarHBondContact O-N 3.01Å; V208-F211 PolarHBondContact O-N 2.78Å; V208-M212 HydrophobicContact CG1-CG 4.25Å; V208-M212 WeakPolarHBondContact O-CB 3.46Å; V208-M212 WeakPolarHBondContact O-CG 3.38Å; V208-M212 PolarHBondContact O-N 3.27Å
209	I	61.9	Low	59.1	Low	94 Å²	94	89.9 Å²	89.9	48%	0.482	48%	0.484	S	S	.	.	H	α-helix	trans	-64.1	-47.8	178.3	-69.1	166.5	0	0	0	111	L205 I206 F211 M212 S213	L205-I209 HydrophobicContact CD2-CD1 4.39Å; L205-I209 HydrophobicContact CG-CD1 3.97Å; L205-I209 WeakPolarHBondContact O-CB 3.48Å; L205-I209 VanDerWaalsContact O-CG1 3.24Å; L205-I209 WeakPolarHBondContact O-CG1 3.3Å; L205-I209 PolarHBondContact O-N 3.03Å; I206-I209 PolarHBondContact O-N 2.91Å; I209-F211 PolarHBondContact O-N 3.34Å; I209-M212 PolarHBondContact O-N 3.42Å; I209-S213 PolarHBondContact O-N 3.42Å
210	K	62.8	Low	58.8	Low	145 Å²	145	91 Å²	91	63%	0.63	48%	0.483	S	S	*	.	H	α-helix	trans	-60.8	-37	176.7	-82.4	-173.8	173.4	-178.5	0	112.1	I206 M207 N214	I206-K210 HydrophobicContact CG2-CD 4.31Å; I206-K210 HydrophobicContact CG2-CG 4.47Å; I206-K210 WeakPolarHBondContact O-CB 3.46Å; I206-K210 WeakPolarHBondContact O-CG 3.35Å; I206-K210 PolarHBondContact O-N 3.3Å; M207-K210 PolarHBondContact O-N 3.06Å; K210-N214 PolarHBondContact O-N 3.21Å
211	F	55.3	Low	58.5	Low	90 Å²	90	91.6 Å²	91.6	40%	0.395	49%	0.487	S	S	.	.	H	α-helix	trans	-70.2	-43.3	178.2	-169.8	-96.9	0	0	0	111.7	Y134 I138 M207 V208 I209 S213 N214 L215	Y134-F211 AromaticContact CE1-CE1 3.97Å; Y134-F211 HydrophobicContact CE1-CE1 3.97Å; Y134-F211 HydrophobicContact CE1-CZ 4Å; Y134-F211 WeakPolarHBondContact OH-CZ 3.48Å; I138-F211 HydrophobicContact CD1-CE1 4.43Å; M207-F211 WeakPolarHBondContact O-CB 3.35Å; M207-F211 PolarHBondContact O-N 3.13Å; V208-F211 PolarHBondContact O-N 2.78Å; I209-F211 PolarHBondContact O-N 3.34Å; F211-S213 VanDerWaalsContact C-N 3.34Å; F211-S213 PolarHBondContact O-N 3.29Å; F211-N214 PolarHBondContact O-N 3.26Å; F211-L215 HydrophobicContact CD1-CD1 3.78Å; F211-L215 HydrophobicContact CE1-CD1 3.32Å; F211-L215 HydrophobicContact CZ-CD1 3.92Å; F211-L215 PolarHBondContact O-N 2.71Å
212	M	55.1	Low	58.3	Low	95 Å²	95	97.5 Å²	97.5	47%	0.468	52%	0.518	S	S	.	.	H	α-helix	trans	-63	-37.3	174.2	-70.6	-76.4	-77.5	0	0	112.2	V208 I209 N214 L215 I216	V208-M212 HydrophobicContact CG1-CG 4.25Å; V208-M212 WeakPolarHBondContact O-CB 3.46Å; V208-M212 WeakPolarHBondContact O-CG 3.38Å; V208-M212 PolarHBondContact O-N 3.27Å; I209-M212 PolarHBondContact O-N 3.42Å; M212-N214 VanDerWaalsContact C-N 3.28Å; M212-N214 PolarHBondContact O-N 3.41Å; M212-L215 PolarHBondContact O-N 3.34Å; M212-L215 VanDerWaalsContact O-N 3.15Å; M212-I216 PolarHBondContact O-N 2.66Å
213	S	56.2	Low	58.1	Low	78 Å²	78	100.2 Å²	100.2	55%	0.545	53%	0.526	S	S	.	.	H	α-helix	trans	-69.3	-20.7	175	-79.5	0	0	0	0	114.4	I209 F211 L215	I209-S213 PolarHBondContact O-N 3.42Å; F211-S213 VanDerWaalsContact C-N 3.34Å; F211-S213 PolarHBondContact O-N 3.29Å; S213-L215 VanDerWaalsContact C-N 3.31Å
214	N	53.9	Low	57.7	Low	143 Å²	143	102.5 Å²	102.5	77%	0.765	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-5.6	172.6	-81.7	-25.5	0	0	0	112.7	K210 F211 M212	K210-N214 PolarHBondContact O-N 3.21Å; F211-N214 PolarHBondContact O-N 3.26Å; M212-N214 VanDerWaalsContact C-N 3.28Å; M212-N214 PolarHBondContact O-N 3.41Å
215	L	49.5	Very low	57.5	Low	96 Å²	96	107.4 Å²	107.4	50%	0.503	55%	0.551	S	S	.	*			trans	-102.4	-10.4	-178.8	-105.6	142.8	0	0	0	113.2	F211 M212 S213	F211-L215 HydrophobicContact CD1-CD1 3.78Å; F211-L215 HydrophobicContact CE1-CD1 3.32Å; F211-L215 HydrophobicContact CZ-CD1 3.92Å; F211-L215 PolarHBondContact O-N 2.71Å; M212-L215 PolarHBondContact O-N 3.34Å; M212-L215 VanDerWaalsContact O-N 3.15Å; S213-L215 VanDerWaalsContact C-N 3.31Å
216	I	45.5	Very low	57.1	Low	199 Å²	199	110.7 Å²	110.7	100%	1.021	57%	0.567	S	S	*	*			trans	-106	0	174.9	-60.3	171.6	0	0	0	108.3	M212	M212-I216 PolarHBondContact O-N 2.66Å

Retrieved 216 of 216 residues in 140.4 ms (Link to these results)

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