A0A077YZA9_TRITR Loading...

Protein tyrosine phosphatase type IVA 3

Protein tyrosine phosphatase which stimulates progression from G1 into S phase during mitosis. Enhances cell proliferation, cell motility and invasive activity, and promotes cancer metastasis. May be involved in the progression of cardiac hypertrophy by inhibiting intracellular calcium mobilization in response to angiotensin II.

AlphaFold DB , UniProt , Accession A0A077YZA9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 214 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	43.3	Very low	41	Very low	239 Å²	239	171.8 Å²	171.8	100%	1.177	88%	0.875	S	S	*	*				0	115.9	0	-80.1	158.6	164.9	0	0	108
2	S	44.2	Very low	40.7	Very low	116 Å²	116	173.4 Å²	173.4	81%	0.811	88%	0.88	S	S	*	*			trans	43.6	111	162.9	51.9	0	0	0	0	120.9
3	N	35.1	Very low	40.3	Very low	158 Å²	158	164.6 Å²	164.6	85%	0.845	86%	0.859	S	S	*	*			trans	-57.3	137	160.6	-70.4	-40.2	0	0	0	112.4
4	I	46	Very low	40.3	Very low	165 Å²	165	161.5 Å²	161.5	85%	0.846	86%	0.858	S	S	*	*			trans	-120.2	95.8	157.5	-57.8	176.7	0	0	0	106.5
5	R	44.3	Very low	40.4	Very low	220 Å²	220	164 Å²	164	83%	0.83	86%	0.859	S	S	*	*			trans	-80.8	126.9	167.1	-88.7	180	175.4	178.3	-2	107.8	E7	R5-E7 PolarHBondContact O-N 3.47Å; R5-E7 VanDerWaalsContact O-N 3.14Å
6	T	41.3	Very low	40.2	Very low	142 Å²	142	157.7 Å²	157.7	87%	0.871	85%	0.846	S	S	*	*			trans	-66.2	98.7	168.4	22.7	0	0	0	0	109.7
7	E	38.2	Very low	40	Very low	192 Å²	192	160.2 Å²	160.2	90%	0.897	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-76.1	118.6	168.2	-96.2	174.9	89.7	0	0	110.3	R5	R5-E7 PolarHBondContact O-N 3.47Å; R5-E7 VanDerWaalsContact O-N 3.14Å
8	S	42.6	Very low	39.7	Very low	114 Å²	114	159.9 Å²	159.9	80%	0.797	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-70.4	124.6	171.8	34.8	0	0	0	0	110.5
9	R	38	Very low	39.6	Very low	234 Å²	234	164.1 Å²	164.1	88%	0.883	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-62	124.6	177.4	-162.2	178.1	-172.1	-174.2	2.2	110.3	Q11	R9-Q11 PolarHBondContact O-N 3.42Å
10	P	37.8	Very low	39.6	Very low	118 Å²	118	162.1 Å²	162.1	77%	0.766	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-70	131.5	176.4	24.7	-28.6	0	0	0	110.5	M12	P10-M12 PolarHBondContact O-N 3.14Å
11	Q	40.7	Very low	39.5	Very low	192 Å²	192	160 Å²	160	90%	0.897	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-62	128.1	173.4	-74	-174.3	-15.4	0	0	109.8	R9 G13	R9-Q11 PolarHBondContact O-N 3.42Å; Q11-G13 PolarHBondContact O-N 2.82Å; Q11-G13 VanDerWaalsContact O-N 3.1Å
12	M	37.6	Very low	39.2	Very low	191 Å²	191	153.3 Å²	153.3	94%	0.941	82%	0.818	S	S	*	*			trans	-59.2	112.6	172.9	-83.6	179.5	158.3	0	0	109.5	P10 S14	P10-M12 PolarHBondContact O-N 3.14Å; M12-S14 PolarHBondContact O-N 2.84Å
13	G	35.5	Very low	39.1	Very low	59 Å²	59	154 Å²	154	61%	0.608	82%	0.819	S	S	*	*			trans	-56.6	129.8	168.7	0	0	0	0	0	110	Q11 F15	Q11-G13 PolarHBondContact O-N 2.82Å; Q11-G13 VanDerWaalsContact O-N 3.1Å; G13-F15 PolarHBondContact O-N 3.07Å
14	S	39.7	Very low	39.2	Very low	121 Å²	121	153.6 Å²	153.6	85%	0.846	82%	0.817	S	S	*	*			trans	-55.9	106	172.3	-173.9	0	0	0	0	108.9	M12 G16	M12-S14 PolarHBondContact O-N 2.84Å; S14-G16 PolarHBondContact O-N 3.32Å; S14-G16 VanDerWaalsContact O-N 3.13Å
15	F	42.2	Very low	39	Very low	199 Å²	199	153.5 Å²	153.5	87%	0.873	81%	0.813	S	S	*	*			trans	-55.7	118.9	170.5	-94.3	-100.1	0	0	0	107.8	G13 K17	G13-F15 PolarHBondContact O-N 3.07Å; F15-K17 PolarHBondContact O-N 3.34Å
16	G	36.8	Very low	39	Very low	63 Å²	63	152.3 Å²	152.3	65%	0.649	81%	0.81	S	S	*	*			trans	-47.1	126.7	177	0	0	0	0	0	109.5	S14 N18	S14-G16 PolarHBondContact O-N 3.32Å; S14-G16 VanDerWaalsContact O-N 3.13Å; G16-N18 VanDerWaalsContact C-N 3.27Å; G16-N18 PolarHBondContact O-N 3.15Å
17	K	37.3	Very low	39.2	Very low	201 Å²	201	155.3 Å²	155.3	87%	0.874	81%	0.807	S	S	*	*			trans	-54	95.9	171.5	-71.2	175.4	177.7	176.9	0	107.6	F15 R19	F15-K17 PolarHBondContact O-N 3.34Å; K17-R19 VanDerWaalsContact C-N 3.31Å; K17-R19 PolarHBondContact O-N 2.86Å
18	N	34.7	Very low	39.9	Very low	154 Å²	154	151.7 Å²	151.7	82%	0.824	79%	0.788	S	S	*	*			trans	-55.2	104	161.9	-85.2	-29.2	0	0	0	105.3	G16 V20	G16-N18 VanDerWaalsContact C-N 3.27Å; G16-N18 PolarHBondContact O-N 3.15Å; N18-V20 PolarHBondContact O-N 3.46Å
19	R	36.8	Very low	40.7	Very low	239 Å²	239	148.8 Å²	148.8	90%	0.902	77%	0.766	S	S	*	*			trans	-61.6	103.7	176.6	-65.3	-177.8	-155.5	-177.8	5.9	106.1	K17 P21	K17-R19 VanDerWaalsContact C-N 3.31Å; K17-R19 PolarHBondContact O-N 2.86Å; R19-P21 WeakPolarHBondContact O-CD 3.25Å
20	V	41.1	Very low	42	Very low	125 Å²	125	141.7 Å²	141.7	76%	0.758	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-53.5	121.1	165.3	-176.2	0	0	0	0	106.1	N18 S22	N18-V20 PolarHBondContact O-N 3.46Å; V20-S22 PolarHBondContact O-N 2.88Å; V20-S22 VanDerWaalsContact O-N 3.17Å
21	P	35.6	Very low	43.8	Very low	117 Å²	117	138.3 Å²	138.3	76%	0.76	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-62.6	120.9	174.3	-14.1	27.2	0	0	0	107.6	R19	R19-P21 WeakPolarHBondContact O-CD 3.25Å
22	S	38.3	Very low	45.9	Very low	99 Å²	99	129.4 Å²	129.4	69%	0.692	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-55	137.5	178.9	-59.6	0	0	0	0	110.7	V20 N24	V20-S22 PolarHBondContact O-N 2.88Å; V20-S22 VanDerWaalsContact O-N 3.17Å; S22-N24 PolarHBondContact O-N 3.32Å
23	P	40.7	Very low	48.4	Very low	130 Å²	130	122.9 Å²	122.9	84%	0.844	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	12.7	-167.6	4.7	5.2	0	0	0	116.1
24	N	38.5	Very low	51	Low	151 Å²	151	120.1 Å²	120.1	81%	0.807	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.2	35.5	-175.3	-81.9	-14.2	0	0	0	113.2	S22 Y26	S22-N24 PolarHBondContact O-N 3.32Å; N24-Y26 PolarHBondContact O-N 2.91Å
25	H	42.2	Very low	53.4	Low	163 Å²	163	118 Å²	118	76%	0.755	62%	0.616	S	S	*	*			trans	-79.9	78.2	171.4	-138.5	99.5	0	0	0	110	Y27	H25-Y27 PolarHBondContact O-N 2.9Å
26	Y	43.8	Very low	55.6	Low	195 Å²	195	110.5 Å²	110.5	77%	0.765	58%	0.583	S	S	*	*			trans	-59	104.4	166.4	-147.7	-97	0	0	0	106.9	N24 K28	N24-Y26 PolarHBondContact O-N 2.91Å; Y26-K28 VanDerWaalsContact C-N 3.29Å; Y26-K28 PolarHBondContact O-N 3.32Å
27	Y	45.9	Very low	58	Low	205 Å²	205	108.6 Å²	108.6	80%	0.804	56%	0.563	S	S	*	*			trans	-64.3	92.4	178.4	-115.9	-93	0	0	0	108.4	H25	H25-Y27 PolarHBondContact O-N 2.9Å
28	K	52.4	Low	60.3	Low	115 Å²	115	102.4 Å²	102.4	50%	0.5	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-76.8	129.5	173.6	-165	174.6	-179.5	-179.6	0	107.2	Y26 A30	Y26-K28 VanDerWaalsContact C-N 3.29Å; Y26-K28 PolarHBondContact O-N 3.32Å; K28-A30 PolarHBondContact O-N 3.19Å
29	P	58.4	Low	63	Low	53 Å²	53	95 Å²	95	34%	0.344	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-55.8	132.4	172.3	-13.3	26.2	0	0	0	107.8	D45 R132	P29-D45 WeakPolarHBondContact CD-OD2 3.49Å; P29-R132 VanDerWaalsContact CD-NH2 3.31Å
30	A	66.2	Low	65.6	Low	86 Å²	86	87 Å²	87	71%	0.711	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-55.9	141.6	174.1	0	0	0	0	0	109.2	K28 A32	K28-A30 PolarHBondContact O-N 3.19Å; A30-A32 PolarHBondContact O-N 3.39Å
31	P	75.8	Confident	68.1	Low	46 Å²	46	81 Å²	81	30%	0.299	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-58.4	134.3	172.7	26.7	-33.4	0	0	0	109	E33 L42 T44 E58	P31-E33 PolarHBondContact O-N 3.1Å; P31-L42 HydrophobicContact CB-CD1 3.9Å; P31-L42 HydrophobicContact CB-CG 4.29Å; P31-T44 HydrophobicContact CB-CG2 4.16Å; P31-E58 HydrophobicContact CG-CG 4.31Å
32	A	84.1	Confident	70.8	Confident	5 Å²	5	75.4 Å²	75.4	4%	0.041	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	103	-177.6	0	0	0	0	0	108.9	A30 I43 N177 R178	A30-A32 PolarHBondContact O-N 3.39Å; A32-I43 HydrophobicContact CB-CB 4.23Å; A32-I43 PolarHBondContact N-O 2.75Å; A32-I43 PolarHBondContact O-N 3.35Å; A32-N177 HydrophobicContact CB-CB 3.94Å; A32-R178 HydrophobicContact CB-CB 4.13Å
33	E	89.9	Confident	73.2	Confident	54 Å²	54	70.8 Å²	70.8	25%	0.252	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	130	172.7	-171	174.5	-174	0	0	110.2	P31 V35 R40 F41 L42 H62 N177	P31-E33 PolarHBondContact O-N 3.1Å; E33-V35 HydrophobicContact CG-CG2 4.11Å; E33-R40 IonicContact OE1-CZ 2.76Å; E33-R40 IonicContact OE1-NE 2.88Å; E33-R40 PolarHBondContact OE1-NE 3.14Å; E33-R40 IonicContact OE1-NH2 3.42Å; E33-R40 PolarHBondContact OE1-NH2 3.39Å; E33-F41 CarbonylContact C-O 3.54Å; E33-F41 WeakPolarHBondContact CA-O 3.34Å; E33-L42 HydrophobicContact CB-CD1 4.01Å; E33-L42 HydrophobicContact CG-CD1 4.47Å; E33-H62 IonicContact OE2-CD2 3.43Å; E33-H62 PolarHBondContact OE2-CD2 2.89Å; E33-H62 IonicContact OE2-NE2 3.89Å; E33-N177 PolarHBondContact O-OD1 3.02Å
34	I	90.8	Very high	75.4	Confident	1 Å²	1	65 Å²	65	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.8	178.2	-64.1	157.3	0	0	0	107.9	F41 I43 V156 L160 L173 I174 N177	I34-F41 HydrophobicContact CB-CB 4.45Å; I34-F41 PolarHBondContact N-O 3.28Å; I34-F41 PolarHBondContact O-N 3.43Å; I34-I43 HydrophobicContact CD1-CD1 3.53Å; I34-I43 HydrophobicContact CD1-CG1 4.15Å; I34-V156 HydrophobicContact CB-CG1 4.4Å; I34-V156 HydrophobicContact CD1-CG1 3.76Å; I34-V156 HydrophobicContact CG2-CG1 4.26Å; I34-L160 HydrophobicContact CG2-CD1 4.21Å; I34-L160 HydrophobicContact CG2-CD2 4.38Å; I34-L173 HydrophobicContact CG2-CD2 3.78Å; I34-L173 HydrophobicContact CG2-CG 4.07Å; I34-I174 HydrophobicContact CD1-CB 4.43Å; I34-I174 HydrophobicContact CD1-CG1 3.78Å; I34-N177 HydrophobicContact CG1-CB 4.5Å
35	V	90.5	Very high	77.4	Confident	78 Å²	78	58.7 Å²	58.7	47%	0.473	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.7	-178.2	-174	0	0	0	0	109.5	E33 R40	E33-V35 HydrophobicContact CG-CG2 4.11Å; V35-R40 HydrophobicContact CB-CG 4.44Å; V35-R40 HydrophobicContact CG1-CG 3.98Å; V35-R40 HydrophobicContact CG2-CG 4.04Å
36	F	88.8	Confident	79.3	Confident	40 Å²	40	53.6 Å²	53.6	18%	0.175	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	112.6	175.4	-172.9	-105.5	0	0	0	111.3	H38 M39 L160 A163 L165 R203	F36-H38 PolarHBondContact O-N 2.85Å; F36-M39 HydrophobicContact CD1-CE 3.82Å; F36-M39 PolarHBondContact N-O 3.48Å; F36-M39 WeakPolarHBondContact O-CB 3.37Å; F36-M39 PolarHBondContact O-N 3.05Å; F36-L160 HydrophobicContact CB-CD2 3.34Å; F36-L160 HydrophobicContact CD1-CD2 3.97Å; F36-L160 HydrophobicContact CD2-CD2 4.47Å; F36-L160 HydrophobicContact CG-CD2 3.69Å; F36-A163 HydrophobicContact CD1-CB 3.92Å; F36-A163 HydrophobicContact CE1-CB 3.72Å; F36-L165 HydrophobicContact CD2-CD2 4.2Å; F36-L165 HydrophobicContact CE1-CB 4.27Å; F36-L165 HydrophobicContact CE2-CB 4.37Å; F36-L165 HydrophobicContact CE2-CD1 3.68Å; F36-L165 HydrophobicContact CE2-CD2 4.01Å; F36-L165 HydrophobicContact CE2-CG 4.24Å; F36-L165 HydrophobicContact CZ-CB 3.93Å; F36-L165 HydrophobicContact CZ-CD1 3.86Å; F36-L165 HydrophobicContact CZ-CD2 4.38Å; F36-L165 HydrophobicContact CZ-CG 4.27Å; F36-R203 HydrophobicContact CE1-CG 4.01Å; F36-R203 HydrophobicContact CZ-CG 4.09Å
37	G	86.1	Confident	81.4	Confident	24 Å²	24	44.3 Å²	44.3	25%	0.247	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	-128.2	-173.6	0	0	0	0	0	111.1	M39	G37-M39 VanDerWaalsContact C-N 3.32Å
38	H	86.7	Confident	83.2	Confident	70 Å²	70	37.8 Å²	37.8	32%	0.324	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	4.4	173.9	-58.5	-71	0	0	0	113.6	F36 P118 G119 F202 N204	F36-H38 PolarHBondContact O-N 2.85Å; H38-P118 HydrophobicContact CB-CB 4.36Å; H38-G119 PolarHBondContact O-N 3.48Å; H38-F202 PolarHBondContact CD2-O 2.84Å; H38-F202 VanDerWaalsContact CD2-O 3.3Å; H38-F202 PolarHBondContact N-O 2.83Å; H38-N204 PolarHBondContact NE2-O 3.17Å
39	M	89.6	Confident	84.9	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133	-179.1	-51.3	-172	-62.9	0	0	110.6	F36 G37 F41 F114 A163 L199 F202	F36-M39 HydrophobicContact CD1-CE 3.82Å; F36-M39 PolarHBondContact N-O 3.48Å; F36-M39 WeakPolarHBondContact O-CB 3.37Å; F36-M39 PolarHBondContact O-N 3.05Å; G37-M39 VanDerWaalsContact C-N 3.32Å; M39-F41 HydrophobicContact CB-CE2 3.72Å; M39-F41 HydrophobicContact CB-CZ 3.89Å; M39-F41 HydrophobicContact CE-CE2 4.25Å; M39-F41 HydrophobicContact CE-CZ 4.42Å; M39-F41 HydrophobicContact SD-CE2 4.45Å; M39-F41 HydrophobicContact SD-CZ 4.11Å; M39-F114 HydrophobicContact CB-CD2 4.09Å; M39-F114 HydrophobicContact CB-CE1 4.15Å; M39-F114 HydrophobicContact CB-CE2 3.59Å; M39-F114 HydrophobicContact CB-CZ 3.65Å; M39-F114 HydrophobicContact CG-CD2 3.52Å; M39-F114 HydrophobicContact CG-CE2 3.48Å; M39-F114 VanDerWaalsContact CG-CE2 3.48Å; M39-F114 HydrophobicContact CG-CG 4.06Å; M39-F114 HydrophobicContact CG-CZ 4.04Å; M39-F114 HydrophobicContact SD-CD2 3.92Å; M39-F114 HydrophobicContact SD-CE2 3.78Å; M39-A163 HydrophobicContact CE-CB 3.24Å; M39-A163 HydrophobicContact SD-CB 4.26Å; M39-L199 HydrophobicContact SD-CB 4.41Å; M39-L199 HydrophobicContact SD-CD1 4.18Å; M39-F202 HydrophobicContact CG-CB 4Å; M39-F202 HydrophobicContact SD-CB 4.4Å
40	R	93.1	Very high	86.2	Confident	69 Å²	69	43.9 Å²	43.9	26%	0.26	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131	173.8	-67.1	175.3	60.9	-152.8	3.5	109.5	E33 V35 H62 G119 C121 V122	E33-R40 IonicContact OE1-CZ 2.76Å; E33-R40 IonicContact OE1-NE 2.88Å; E33-R40 PolarHBondContact OE1-NE 3.14Å; E33-R40 IonicContact OE1-NH2 3.42Å; E33-R40 PolarHBondContact OE1-NH2 3.39Å; V35-R40 HydrophobicContact CB-CG 4.44Å; V35-R40 HydrophobicContact CG1-CG 3.98Å; V35-R40 HydrophobicContact CG2-CG 4.04Å; R40-H62 PolarHBondContact NH2-O 3.47Å; R40-G119 PolarHBondContact NH1-O 3.33Å; R40-C121 HydrophobicContact CB-CB 4.12Å; R40-C121 WeakPolarHBondContact O-CA 3.26Å; R40-V122 PolarHBondContact O-N 2.87Å
41	F	93.5	Very high	87.3	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.1	179	-54.6	-78.1	0	0	0	109.7	E33 I34 M39 W106 L110 F114 V122 V156 A159	E33-F41 CarbonylContact C-O 3.54Å; E33-F41 WeakPolarHBondContact CA-O 3.34Å; I34-F41 HydrophobicContact CB-CB 4.45Å; I34-F41 PolarHBondContact N-O 3.28Å; I34-F41 PolarHBondContact O-N 3.43Å; M39-F41 HydrophobicContact CB-CE2 3.72Å; M39-F41 HydrophobicContact CB-CZ 3.89Å; M39-F41 HydrophobicContact CE-CE2 4.25Å; M39-F41 HydrophobicContact CE-CZ 4.42Å; M39-F41 HydrophobicContact SD-CE2 4.45Å; M39-F41 HydrophobicContact SD-CZ 4.11Å; F41-W106 AromaticContact CD1-CH2 3.91Å; F41-W106 HydrophobicContact CD1-CH2 3.91Å; F41-W106 AromaticContact CD1-CZ2 3.9Å; F41-W106 HydrophobicContact CD1-CZ2 3.9Å; F41-W106 AromaticContact CE1-CH2 3.9Å; F41-W106 HydrophobicContact CE1-CH2 3.9Å; F41-W106 AromaticContact CE1-CZ2 3.62Å; F41-W106 HydrophobicContact CE1-CZ2 3.62Å; F41-L110 HydrophobicContact CE1-CD1 3.7Å; F41-L110 HydrophobicContact CE1-CD2 3.7Å; F41-L110 HydrophobicContact CE1-CG 4.34Å; F41-L110 HydrophobicContact CZ-CD1 3.85Å; F41-L110 HydrophobicContact CZ-CD2 4.48Å; F41-F114 AromaticContact CE1-CE2 3.97Å; F41-F114 HydrophobicContact CE1-CE2 3.97Å; F41-F114 AromaticContact CE1-CZ 3.85Å; F41-F114 HydrophobicContact CE1-CZ 3.85Å; F41-F114 AromaticContact CZ-CE2 3.83Å; F41-F114 HydrophobicContact CZ-CE2 3.83Å; F41-F114 AromaticContact CZ-CZ 3.95Å; F41-F114 HydrophobicContact CZ-CZ 3.95Å; F41-V122 VanDerWaalsContact CA-O 3.31Å; F41-V122 WeakPolarHBondContact CA-O 3.48Å; F41-V122 HydrophobicContact CD1-CB 4.42Å; F41-V156 HydrophobicContact CB-CG1 3.97Å; F41-V156 HydrophobicContact CB-CG2 4.1Å; F41-V156 HydrophobicContact CD2-CG1 3.76Å; F41-V156 HydrophobicContact CE2-CG1 4.41Å; F41-V156 HydrophobicContact CG-CG1 3.86Å; F41-V156 HydrophobicContact CG-CG2 4.3Å; F41-A159 HydrophobicContact CE1-CB 4.13Å; F41-A159 HydrophobicContact CE2-CB 4.21Å; F41-A159 HydrophobicContact CZ-CB 3.57Å
42	L	92.3	Very high	87.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	107.3	174.7	-167.5	71.3	0	0	0	109.6	P31 E33 T44 L59 H62 V64 V122 A123 V124	P31-L42 HydrophobicContact CB-CD1 3.9Å; P31-L42 HydrophobicContact CB-CG 4.29Å; E33-L42 HydrophobicContact CB-CD1 4.01Å; E33-L42 HydrophobicContact CG-CD1 4.47Å; L42-T44 HydrophobicContact CB-CG2 4.44Å; L42-T44 HydrophobicContact CD2-CG2 3.54Å; L42-T44 HydrophobicContact CG-CG2 3.57Å; L42-T44 PolarHBondContact O-N 3.27Å; L42-L59 HydrophobicContact CD2-CD2 4.1Å; L42-H62 HydrophobicContact CD2-CB 3.98Å; L42-V64 HydrophobicContact CB-CG2 4.22Å; L42-V64 HydrophobicContact CD2-CG2 3.8Å; L42-V122 PolarHBondContact N-O 3.32Å; L42-A123 HydrophobicContact CB-CB 4.14Å; L42-A123 CarbonylContact O-C 3.58Å; L42-A123 WeakPolarHBondContact O-CA 3.18Å; L42-V124 PolarHBondContact O-N 2.88Å
43	I	88.3	Confident	88.3	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	110	173.6	-52.4	179	0	0	0	108	A32 I34 V124 A152 P153 V156	A32-I43 HydrophobicContact CB-CB 4.23Å; A32-I43 PolarHBondContact N-O 2.75Å; A32-I43 PolarHBondContact O-N 3.35Å; I34-I43 HydrophobicContact CD1-CD1 3.53Å; I34-I43 HydrophobicContact CD1-CG1 4.15Å; I43-V124 WeakPolarHBondContact CA-O 3.14Å; I43-A152 HydrophobicContact CG2-CB 4.17Å; I43-P153 HydrophobicContact CD1-CB 4.38Å; I43-P153 HydrophobicContact CD1-CG 4.28Å; I43-V156 HydrophobicContact CD1-CB 4.42Å; I43-V156 HydrophobicContact CD1-CG2 3.99Å; I43-V156 HydrophobicContact CG1-CG2 3.97Å
44	T	86.8	Confident	88.3	Confident	9 Å²	9	47.6 Å²	47.6	6%	0.055	24%	0.24	C	C	.	.			trans	-110.8	164.8	-177.6	63	0	0	0	0	112.2	P31 L42 F55 V124 H125	P31-T44 HydrophobicContact CB-CG2 4.16Å; L42-T44 HydrophobicContact CB-CG2 4.44Å; L42-T44 HydrophobicContact CD2-CG2 3.54Å; L42-T44 HydrophobicContact CG-CG2 3.57Å; L42-T44 PolarHBondContact O-N 3.27Å; T44-F55 HydrophobicContact CG2-CE2 4.15Å; T44-V124 PolarHBondContact N-O 2.75Å; T44-H125 WeakPolarHBondContact O-CB 3.39Å
45	D	81.1	Confident	88.3	Confident	18 Å²	18	47.9 Å²	47.9	10%	0.096	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-83.8	152.6	168.2	-74.8	-22.8	0	0	0	110.8	P29 A128 R178	P29-D45 WeakPolarHBondContact CD-OD2 3.49Å; D45-A128 HydrophobicContact CB-CB 3.6Å; D45-R178 IonicContact OD1-CZ 3.19Å; D45-R178 IonicContact OD1-NH1 3.91Å; D45-R178 IonicContact OD1-NH2 2.68Å; D45-R178 PolarHBondContact OD1-NH2 3.26Å
46	R	82	Confident	88.4	Confident	56 Å²	56	44.7 Å²	44.7	21%	0.211	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-58.4	125.1	176.8	175.6	-176.2	-82.7	-172.6	-12.2	110	E72 T74 C126 A128	R46-E72 PolarHBondContact NH2-O 2.71Å; R46-E72 IonicContact NH2-OE2 2.81Å; R46-T74 VanDerWaalsContact CD-OG1 3.28Å; R46-T74 WeakPolarHBondContact CD-OG1 3.26Å; R46-T74 VanDerWaalsContact CZ-CG2 3.48Å; R46-C126 PolarHBondContact NE-O 2.99Å; R46-A128 HydrophobicContact CB-CB 4.45Å
47	P	86.6	Confident	88.6	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-77.5	162.1	171.1	34.9	-36.4	0	0	0	110.9	I52 F55 Y75	P47-I52 HydrophobicContact CB-CD1 4.16Å; P47-I52 HydrophobicContact CG-CD1 4.03Å; P47-F55 HydrophobicContact CB-CB 3.91Å; P47-F55 HydrophobicContact CB-CD1 3.93Å; P47-F55 HydrophobicContact CB-CD2 4.23Å; P47-F55 HydrophobicContact CB-CE1 4.47Å; P47-F55 HydrophobicContact CB-CG 3.77Å; P47-F55 HydrophobicContact CG-CD1 3.68Å; P47-F55 HydrophobicContact CG-CD2 4.43Å; P47-F55 HydrophobicContact CG-CE1 3.79Å; P47-F55 HydrophobicContact CG-CG 4Å; P47-F55 HydrophobicContact CG-CZ 4.24Å; P47-Y75 HydrophobicContact CG-CD1 3.65Å; P47-Y75 HydrophobicContact CG-CD2 4.22Å; P47-Y75 HydrophobicContact CG-CE1 3.41Å; P47-Y75 VanDerWaalsContact CG-CE1 3.41Å; P47-Y75 HydrophobicContact CG-CE2 4.07Å; P47-Y75 HydrophobicContact CG-CG 4.04Å
48	T	85	Confident	88.9	Confident	68 Å²	68	49.7 Å²	49.7	42%	0.417	24%	0.239	S	C	.	.			trans	-105.7	161.4	162.9	66	0	0	0	0	109.4	Y50 T51 I52	T48-Y50 PolarHBondContact O-N 2.78Å; T48-T51 PolarHBondContact N-OG1 2.87Å; T48-T51 CarbonylContact O-C 3.54Å; T48-T51 PolarHBondContact O-N 3.39Å; T48-T51 PolarHBondContact O-OG1 3.33Å; T48-T51 VanDerWaalsContact O-OG1 3.09Å; T48-T51 WeakPolarHBondContact OG1-CG2 3.22Å; T48-T51 PolarHBondContact OG1-N 3.46Å; T48-T51 PolarHBondContact OG1-OG1 3.17Å; T48-I52 PolarHBondContact O-N 2.93Å
49	D	86.6	Confident	89.1	Confident	73 Å²	73	46.4 Å²	46.4	39%	0.39	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-56.1	-31.6	174.5	-67.1	-64.6	0	0	0	112.1	T51 I52 Y75 T76	D49-T51 PolarHBondContact O-N 3.37Å; D49-I52 VanDerWaalsContact O-CG2 3.26Å; D49-I52 WeakPolarHBondContact O-CG2 3.42Å; D49-Y75 WeakPolarHBondContact OD1-CA 3.49Å; D49-T76 PolarHBondContact OD1-N 3.29Å; D49-T76 PolarHBondContact OD1-OG1 3.31Å
50	Y	87.3	Confident	89.3	Confident	223 Å²	223	51.1 Å²	51.1	88%	0.875	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-70.3	-29.3	175.4	-61.3	-75	0	0	0	114	T48	T48-Y50 PolarHBondContact O-N 2.78Å
51	T	88.3	Confident	89.2	Confident	44 Å²	44	55.7 Å²	55.7	27%	0.27	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-102.6	5.9	-177.1	58.9	0	0	0	0	112.8	T48 D49 S53 Q54 F55	T48-T51 PolarHBondContact N-OG1 2.87Å; T48-T51 CarbonylContact O-C 3.54Å; T48-T51 PolarHBondContact O-N 3.39Å; T48-T51 PolarHBondContact O-OG1 3.33Å; T48-T51 VanDerWaalsContact O-OG1 3.09Å; T48-T51 WeakPolarHBondContact OG1-CG2 3.22Å; T48-T51 PolarHBondContact OG1-N 3.46Å; T48-T51 PolarHBondContact OG1-OG1 3.17Å; D49-T51 PolarHBondContact O-N 3.37Å; T51-S53 VanDerWaalsContact C-N 3.32Å; T51-S53 PolarHBondContact O-N 3.5Å; T51-Q54 PolarHBondContact O-N 3.24Å; T51-F55 PolarHBondContact O-N 3.35Å
52	I	89.2	Confident	89.1	Confident	12 Å²	12	57 Å²	57	6%	0.062	27%	0.268	C	S	.	.	H	α-helix	trans	-63.9	-37	-170.5	-162.4	64.5	0	0	0	112.1	P47 T48 D49 F55 I56 Y75 P79 L80	P47-I52 HydrophobicContact CB-CD1 4.16Å; P47-I52 HydrophobicContact CG-CD1 4.03Å; T48-I52 PolarHBondContact O-N 2.93Å; D49-I52 VanDerWaalsContact O-CG2 3.26Å; D49-I52 WeakPolarHBondContact O-CG2 3.42Å; I52-F55 HydrophobicContact CD1-CD1 4.07Å; I52-F55 WeakPolarHBondContact O-CB 3.37Å; I52-F55 PolarHBondContact O-N 2.93Å; I52-I56 HydrophobicContact CG1-CD1 4.26Å; I52-I56 VanDerWaalsContact O-CG1 3.3Å; I52-I56 WeakPolarHBondContact O-CG1 3.42Å; I52-I56 PolarHBondContact O-N 3.04Å; I52-Y75 HydrophobicContact CD1-CD2 3.59Å; I52-Y75 HydrophobicContact CD1-CE2 3.8Å; I52-Y75 HydrophobicContact CD1-CG 4.39Å; I52-P79 HydrophobicContact CG1-CB 4.39Å; I52-P79 HydrophobicContact CG2-CB 4.49Å; I52-P79 HydrophobicContact CG2-CG 4.42Å; I52-L80 HydrophobicContact CD1-CD1 3.84Å; I52-L80 HydrophobicContact CD1-CG 4.37Å
53	S	91.4	Very high	89	Confident	78 Å²	78	58.7 Å²	58.7	55%	0.545	29%	0.285	S	S	.	.	H	α-helix	trans	-63.1	-45.2	178.2	-50.2	0	0	0	0	111.8	T51 F55 I56 E57	T51-S53 VanDerWaalsContact C-N 3.32Å; T51-S53 PolarHBondContact O-N 3.5Å; S53-F55 VanDerWaalsContact C-N 3.29Å; S53-F55 PolarHBondContact O-N 2.81Å; S53-I56 PolarHBondContact O-N 3.21Å; S53-E57 PolarHBondContact O-N 2.97Å
54	Q	91.2	Very high	89.3	Confident	134 Å²	134	58.9 Å²	58.9	63%	0.626	29%	0.286	S	S	*	.	H	α-helix	trans	-64.3	-37.2	175.1	-65.5	176.4	3.8	0	0	111.4	T51 E57 E58	T51-Q54 PolarHBondContact O-N 3.24Å; Q54-E57 PolarHBondContact O-N 3.39Å; Q54-E58 WeakPolarHBondContact O-CB 3.17Å; Q54-E58 PolarHBondContact O-N 2.93Å
55	F	90.8	Very high	89.5	Confident	8 Å²	8	63.3 Å²	63.3	4%	0.035	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-44	175.3	-177.1	-116.2	0	0	0	111.6	T44 P47 T51 I52 S53 E57 E58 L59 L80	T44-F55 HydrophobicContact CG2-CE2 4.15Å; P47-F55 HydrophobicContact CB-CB 3.91Å; P47-F55 HydrophobicContact CB-CD1 3.93Å; P47-F55 HydrophobicContact CB-CD2 4.23Å; P47-F55 HydrophobicContact CB-CE1 4.47Å; P47-F55 HydrophobicContact CB-CG 3.77Å; P47-F55 HydrophobicContact CG-CD1 3.68Å; P47-F55 HydrophobicContact CG-CD2 4.43Å; P47-F55 HydrophobicContact CG-CE1 3.79Å; P47-F55 HydrophobicContact CG-CG 4Å; P47-F55 HydrophobicContact CG-CZ 4.24Å; T51-F55 PolarHBondContact O-N 3.35Å; I52-F55 HydrophobicContact CD1-CD1 4.07Å; I52-F55 WeakPolarHBondContact O-CB 3.37Å; I52-F55 PolarHBondContact O-N 2.93Å; S53-F55 VanDerWaalsContact C-N 3.29Å; S53-F55 PolarHBondContact O-N 2.81Å; F55-E57 PolarHBondContact O-N 3.14Å; F55-E58 WeakPolarHBondContact O-CB 3.28Å; F55-E58 PolarHBondContact O-N 2.97Å; F55-L59 HydrophobicContact CD1-CD1 3.85Å; F55-L59 HydrophobicContact CD1-CG 4.35Å; F55-L59 HydrophobicContact CE1-CD1 3.51Å; F55-L59 HydrophobicContact CE1-CD2 4.47Å; F55-L59 HydrophobicContact CE1-CG 4.15Å; F55-L59 HydrophobicContact CE2-CD2 4.16Å; F55-L59 HydrophobicContact CE2-CG 4.31Å; F55-L59 HydrophobicContact CZ-CD1 3.89Å; F55-L59 HydrophobicContact CZ-CD2 4Å; F55-L59 HydrophobicContact CZ-CG 4.12Å; F55-L59 VanDerWaalsContact O-CG 3.28Å; F55-L59 WeakPolarHBondContact O-CG 3.37Å; F55-L59 PolarHBondContact O-N 3.46Å; F55-L80 HydrophobicContact CD1-CD2 4.15Å; F55-L80 HydrophobicContact CE1-CD2 4.17Å
56	I	92.6	Very high	90.1	Very high	11 Å²	11	62.5 Å²	62.5	6%	0.056	30%	0.3	C	S	.	.	H	α-helix	trans	-59.9	-45.4	175.5	-71.5	163.6	0	0	0	111.1	I52 S53 E58 L59 K60 P79 L80 E83	I52-I56 HydrophobicContact CG1-CD1 4.26Å; I52-I56 VanDerWaalsContact O-CG1 3.3Å; I52-I56 WeakPolarHBondContact O-CG1 3.42Å; I52-I56 PolarHBondContact O-N 3.04Å; S53-I56 PolarHBondContact O-N 3.21Å; I56-E58 VanDerWaalsContact C-N 3.29Å; I56-E58 PolarHBondContact O-N 3.31Å; I56-L59 PolarHBondContact O-N 3.3Å; I56-K60 HydrophobicContact CG2-CD 4.08Å; I56-K60 HydrophobicContact CG2-CG 4.43Å; I56-K60 WeakPolarHBondContact O-CB 3.31Å; I56-K60 WeakPolarHBondContact O-CG 3.5Å; I56-K60 PolarHBondContact O-N 3.06Å; I56-P79 HydrophobicContact CD1-CB 3.71Å; I56-P79 WeakPolarHBondContact CD1-O 3.37Å; I56-L80 HydrophobicContact CD1-CG 4.37Å; I56-L80 HydrophobicContact CG1-CD2 3.82Å; I56-L80 HydrophobicContact CG1-CG 3.99Å; I56-E83 HydrophobicContact CG2-CB 4.24Å; I56-E83 HydrophobicContact CG2-CG 3.86Å
57	E	92.6	Very high	90.7	Very high	119 Å²	119	59.8 Å²	59.8	56%	0.556	29%	0.29	S	S	*	.	H	α-helix	trans	-59.4	-41.7	175.8	-74.3	180	-172.7	0	0	111.9	S53 Q54 F55 K60 R61	S53-E57 PolarHBondContact O-N 2.97Å; Q54-E57 PolarHBondContact O-N 3.39Å; F55-E57 PolarHBondContact O-N 3.14Å; E57-K60 PolarHBondContact O-N 3.34Å; E57-R61 WeakPolarHBondContact O-CB 3.23Å; E57-R61 PolarHBondContact O-N 3.39Å
58	E	91.2	Very high	91	Very high	50 Å²	50	59.8 Å²	59.8	23%	0.234	29%	0.29	C	S	.	.	H	α-helix	trans	-63.6	-43.3	177.1	-162	63.6	-119.5	0	0	112	P31 Q54 F55 I56 R61 H62	P31-E58 HydrophobicContact CG-CG 4.31Å; Q54-E58 WeakPolarHBondContact O-CB 3.17Å; Q54-E58 PolarHBondContact O-N 2.93Å; F55-E58 WeakPolarHBondContact O-CB 3.28Å; F55-E58 PolarHBondContact O-N 2.97Å; I56-E58 VanDerWaalsContact C-N 3.29Å; I56-E58 PolarHBondContact O-N 3.31Å; E58-R61 PolarHBondContact O-N 3.19Å; E58-R61 IonicContact OE1-CZ 2.74Å; E58-R61 IonicContact OE1-NH1 3.29Å; E58-R61 PolarHBondContact OE1-NH1 3.4Å; E58-R61 IonicContact OE2-CZ 2.62Å; E58-R61 IonicContact OE2-NH1 2.93Å; E58-R61 PolarHBondContact OE2-NH1 2.91Å; E58-H62 PolarHBondContact O-N 2.99Å; E58-H62 PolarHBondContact O-ND1 2.98Å; E58-H62 IonicContact OE1-CE1 3.01Å; E58-H62 PolarHBondContact OE1-CE1 3.2Å; E58-H62 IonicContact OE1-ND1 3.03Å; E58-H62 PolarHBondContact OE1-ND1 2.93Å
59	L	92.9	Very high	91.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-45.1	176.6	-69	-178.3	0	0	0	111.3	L42 F55 I56 R61 H62 G63 V64 V67 L80 I85 A123	L42-L59 HydrophobicContact CD2-CD2 4.1Å; F55-L59 HydrophobicContact CD1-CD1 3.85Å; F55-L59 HydrophobicContact CD1-CG 4.35Å; F55-L59 HydrophobicContact CE1-CD1 3.51Å; F55-L59 HydrophobicContact CE1-CD2 4.47Å; F55-L59 HydrophobicContact CE1-CG 4.15Å; F55-L59 HydrophobicContact CE2-CD2 4.16Å; F55-L59 HydrophobicContact CE2-CG 4.31Å; F55-L59 HydrophobicContact CZ-CD1 3.89Å; F55-L59 HydrophobicContact CZ-CD2 4Å; F55-L59 HydrophobicContact CZ-CG 4.12Å; F55-L59 VanDerWaalsContact O-CG 3.28Å; F55-L59 WeakPolarHBondContact O-CG 3.37Å; F55-L59 PolarHBondContact O-N 3.46Å; I56-L59 PolarHBondContact O-N 3.3Å; L59-R61 VanDerWaalsContact C-N 3.35Å; L59-R61 PolarHBondContact O-N 3.27Å; L59-H62 PolarHBondContact O-N 3.06Å; L59-G63 PolarHBondContact O-N 3.13Å; L59-G63 VanDerWaalsContact O-N 3.15Å; L59-V64 HydrophobicContact CB-CB 4.05Å; L59-V64 HydrophobicContact CD2-CB 4.01Å; L59-V64 HydrophobicContact CD2-CG1 4Å; L59-V64 HydrophobicContact CD2-CG2 3.96Å; L59-V64 WeakPolarHBondContact O-CB 3.33Å; L59-V64 PolarHBondContact O-N 2.93Å; L59-V67 HydrophobicContact CD1-CG2 3.49Å; L59-V67 VanDerWaalsContact CD1-CG2 3.49Å; L59-V67 HydrophobicContact CD2-CG2 4.24Å; L59-L80 HydrophobicContact CD1-CD2 3.4Å; L59-L80 VanDerWaalsContact CD1-CD2 3.4Å; L59-I85 HydrophobicContact CB-CD1 4.03Å; L59-I85 HydrophobicContact CD1-CD1 3.93Å; L59-I85 HydrophobicContact CD1-CG2 4.45Å; L59-A123 HydrophobicContact CD2-CB 3.77Å
60	K	92.4	Very high	91.3	Very high	100 Å²	100	53.6 Å²	53.6	44%	0.435	25%	0.253	S	S	.	.	H	α-helix	trans	-61.3	-42.7	176.5	-76.7	178.7	171	-176.9	0	111.8	I56 E57 H62 G63 E83	I56-K60 HydrophobicContact CG2-CD 4.08Å; I56-K60 HydrophobicContact CG2-CG 4.43Å; I56-K60 WeakPolarHBondContact O-CB 3.31Å; I56-K60 WeakPolarHBondContact O-CG 3.5Å; I56-K60 PolarHBondContact O-N 3.06Å; E57-K60 PolarHBondContact O-N 3.34Å; K60-H62 PolarHBondContact O-N 2.74Å; K60-G63 PolarHBondContact O-N 2.69Å; K60-E83 VanDerWaalsContact CE-CD 3.48Å; K60-E83 WeakPolarHBondContact CE-OE2 3.41Å; K60-E83 IonicContact NZ-OE1 3.13Å; K60-E83 PolarHBondContact NZ-OE1 3.36Å; K60-E83 IonicContact NZ-OE2 3.76Å; K60-E83 PolarHBondContact NZ-OE2 3.36Å
61	R	91.8	Very high	91.1	Very high	164 Å²	164	43.1 Å²	43.1	62%	0.619	21%	0.213	S	C	*	.	H	α-helix	trans	-57.8	-38.1	177.9	-171	-175.8	-58.8	136.5	5.2	112.2	E57 E58 L59 G63	E57-R61 WeakPolarHBondContact O-CB 3.23Å; E57-R61 PolarHBondContact O-N 3.39Å; E58-R61 PolarHBondContact O-N 3.19Å; E58-R61 IonicContact OE1-CZ 2.74Å; E58-R61 IonicContact OE1-NH1 3.29Å; E58-R61 PolarHBondContact OE1-NH1 3.4Å; E58-R61 IonicContact OE2-CZ 2.62Å; E58-R61 IonicContact OE2-NH1 2.93Å; E58-R61 PolarHBondContact OE2-NH1 2.91Å; L59-R61 VanDerWaalsContact C-N 3.35Å; L59-R61 PolarHBondContact O-N 3.27Å; R61-G63 VanDerWaalsContact C-N 3.32Å
62	H	90.9	Very high	90.8	Very high	29 Å²	29	46.2 Å²	46.2	13%	0.134	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-2.1	178	-69.2	91.4	0	0	0	113.7	E33 R40 L42 E58 L59 K60 V64 C121	E33-H62 IonicContact OE2-CD2 3.43Å; E33-H62 PolarHBondContact OE2-CD2 2.89Å; E33-H62 IonicContact OE2-NE2 3.89Å; R40-H62 PolarHBondContact NH2-O 3.47Å; L42-H62 HydrophobicContact CD2-CB 3.98Å; E58-H62 PolarHBondContact O-N 2.99Å; E58-H62 PolarHBondContact O-ND1 2.98Å; E58-H62 IonicContact OE1-CE1 3.01Å; E58-H62 PolarHBondContact OE1-CE1 3.2Å; E58-H62 IonicContact OE1-ND1 3.03Å; E58-H62 PolarHBondContact OE1-ND1 2.93Å; L59-H62 PolarHBondContact O-N 3.06Å; K60-H62 PolarHBondContact O-N 2.74Å; H62-V64 VanDerWaalsContact C-N 3.31Å; H62-V64 HydrophobicContact CB-CG2 4.04Å; H62-C121 WeakPolarHBondContact O-CB 3.43Å
63	G	90.9	Very high	90.5	Very high	34 Å²	34	49.2 Å²	49.2	35%	0.351	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	31.2	-176.9	0	0	0	0	0	112.9	L59 K60 R61	L59-G63 PolarHBondContact O-N 3.13Å; L59-G63 VanDerWaalsContact O-N 3.15Å; K60-G63 PolarHBondContact O-N 2.69Å; R61-G63 VanDerWaalsContact C-N 3.32Å
64	V	93.4	Very high	90.1	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.03	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	133.7	178.5	176.3	0	0	0	0	110.3	L42 L59 H62 D66 V67 C121 A123	L42-V64 HydrophobicContact CB-CG2 4.22Å; L42-V64 HydrophobicContact CD2-CG2 3.8Å; L59-V64 HydrophobicContact CB-CB 4.05Å; L59-V64 HydrophobicContact CD2-CB 4.01Å; L59-V64 HydrophobicContact CD2-CG1 4Å; L59-V64 HydrophobicContact CD2-CG2 3.96Å; L59-V64 WeakPolarHBondContact O-CB 3.33Å; L59-V64 PolarHBondContact O-N 2.93Å; H62-V64 VanDerWaalsContact C-N 3.31Å; H62-V64 HydrophobicContact CB-CG2 4.04Å; V64-D66 WeakPolarHBondContact CG1-O 3.24Å; V64-V67 HydrophobicContact CG1-CG2 4.26Å; V64-C121 VanDerWaalsContact CA-O 3.3Å; V64-C121 WeakPolarHBondContact CA-O 3.41Å; V64-C121 HydrophobicContact CG2-CB 3.89Å; V64-A123 HydrophobicContact CB-CB 4.49Å; V64-A123 HydrophobicContact CG1-CB 3.62Å; V64-A123 HydrophobicContact CG2-CB 4.09Å
65	K	91.4	Very high	89.9	Confident	103 Å²	103	42.9 Å²	42.9	45%	0.448	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	-21.1	176.3	-65.5	-71	-172.7	178.2	0	113.6	Q86 R113 C121	K65-Q86 PolarHBondContact O-N 2.89Å; K65-R113 PolarHBondContact O-NH2 3.16Å; K65-C121 PolarHBondContact N-O 3.26Å
66	D	94.2	Very high	89.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142	172	-55.9	-70.5	0	0	0	111.4	V64 Q86 R113 V122 A123	V64-D66 WeakPolarHBondContact CG1-O 3.24Å; D66-Q86 CarbonylContact C-O 3.54Å; D66-Q86 WeakPolarHBondContact CA-O 3.27Å; D66-Q86 WeakPolarHBondContact OD1-CB 3.46Å; D66-Q86 PolarHBondContact OD1-OE1 3.11Å; D66-R113 VanDerWaalsContact CG-NH1 3.32Å; D66-R113 IonicContact OD1-CZ 3.84Å; D66-R113 IonicContact OD1-NE 2.62Å; D66-R113 IonicContact OD1-NH1 2.61Å; D66-R113 PolarHBondContact OD1-NH1 3.33Å; D66-R113 IonicContact OD1-NH2 3.9Å; D66-R113 PolarHBondContact OD1-NH2 3.15Å; D66-R113 WeakPolarHBondContact OD2-CG 3.34Å; D66-R113 IonicContact OD2-CZ 2.67Å; D66-R113 IonicContact OD2-NE 3.92Å; D66-R113 PolarHBondContact OD2-NE 2.93Å; D66-R113 IonicContact OD2-NH1 3.95Å; D66-R113 PolarHBondContact OD2-NH1 3.48Å; D66-R113 IonicContact OD2-NH2 2.75Å; D66-R113 PolarHBondContact OD2-NH2 3.38Å; D66-V122 HydrophobicContact CB-CG1 4.21Å; D66-A123 PolarHBondContact O-N 3.18Å
67	V	93.8	Very high	89.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	113.9	168.7	179.1	0	0	0	0	108.4	L59 V64 R69 I85 Q86 I87 L88 A123	L59-V67 HydrophobicContact CD1-CG2 3.49Å; L59-V67 VanDerWaalsContact CD1-CG2 3.49Å; L59-V67 HydrophobicContact CD2-CG2 4.24Å; V64-V67 HydrophobicContact CG1-CG2 4.26Å; V67-R69 HydrophobicContact CG1-CG 4.45Å; V67-I85 HydrophobicContact CB-CG2 4.4Å; V67-I85 HydrophobicContact CG2-CG2 3.56Å; V67-Q86 PolarHBondContact N-O 3.2Å; V67-I87 WeakPolarHBondContact O-CA 3.28Å; V67-L88 PolarHBondContact O-N 3.13Å; V67-A123 WeakPolarHBondContact CA-O 3.47Å; V67-A123 HydrophobicContact CG2-CB 4.19Å
68	V	93.2	Very high	89.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	119.3	173.5	-176.7	0	0	0	0	109.5	V70 L88 W90 W106 L109 V122 A123 V124 H125	V68-V70 HydrophobicContact CG1-CG1 4Å; V68-L88 WeakPolarHBondContact CA-O 3.35Å; V68-L88 HydrophobicContact CG2-CB 4.3Å; V68-L88 HydrophobicContact CG2-CD1 4.2Å; V68-W90 HydrophobicContact CG1-CD2 4.04Å; V68-W90 HydrophobicContact CG1-CE3 3.43Å; V68-W90 VanDerWaalsContact CG1-CE3 3.43Å; V68-W90 HydrophobicContact CG1-CZ3 3.79Å; V68-W90 HydrophobicContact CG2-CH2 4.36Å; V68-W90 HydrophobicContact CG2-CZ3 4.1Å; V68-W106 HydrophobicContact CG2-CE3 4.2Å; V68-W106 HydrophobicContact CG2-CZ3 3.77Å; V68-L109 HydrophobicContact CG2-CD2 3.73Å; V68-V122 HydrophobicContact CG2-CG1 4.3Å; V68-A123 PolarHBondContact N-O 2.86Å; V68-V124 HydrophobicContact CB-CG1 4.27Å; V68-V124 HydrophobicContact CB-CG2 4.3Å; V68-V124 HydrophobicContact CG1-CG1 4.49Å; V68-V124 WeakPolarHBondContact O-CA 3.19Å; V68-H125 PolarHBondContact O-N 3.25Å
69	R	91.2	Very high	89.7	Confident	12 Å²	12	45.6 Å²	45.6	5%	0.045	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	116.7	174.1	-42.3	-158.4	-74.7	-175.5	-5.6	108.1	V67 Y75 I87 L88 D89 W90 H125	V67-R69 HydrophobicContact CG1-CG 4.45Å; R69-Y75 WeakPolarHBondContact CD-OH 3.38Å; R69-Y75 PolarHBondContact NH1-O 2.89Å; R69-I87 HydrophobicContact CG-CG2 3.78Å; R69-L88 PolarHBondContact N-O 3.25Å; R69-D89 WeakPolarHBondContact CB-OD1 3.46Å; R69-D89 IonicContact CZ-OD1 3.77Å; R69-D89 IonicContact CZ-OD2 2.71Å; R69-D89 IonicContact NE-OD1 3.72Å; R69-D89 PolarHBondContact NE-OD1 3.35Å; R69-D89 IonicContact NE-OD2 2.62Å; R69-D89 IonicContact NH2-OD1 2.89Å; R69-D89 PolarHBondContact NH2-OD1 3.44Å; R69-D89 IonicContact NH2-OD2 2.82Å; R69-D89 PolarHBondContact NH2-OD2 3.32Å; R69-W90 PolarHBondContact O-N 2.88Å; R69-H125 WeakPolarHBondContact CD-NE2 3.31Å; R69-H125 VanDerWaalsContact CG-NE2 3.27Å; R69-H125 WeakPolarHBondContact CG-NE2 3.43Å
70	V	87	Confident	89.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.233	C	C	.	.			trans	-102.2	5.1	-179.5	-63.8	0	0	0	0	113.7	V68 W90 F92 V124 H125 C126 R151 A152 L155	V68-V70 HydrophobicContact CG1-CG1 4Å; V70-W90 WeakPolarHBondContact CA-O 3.28Å; V70-F92 HydrophobicContact CB-CD1 4.19Å; V70-F92 HydrophobicContact CB-CE1 3.66Å; V70-F92 HydrophobicContact CB-CZ 4.42Å; V70-F92 HydrophobicContact CG1-CD1 4.49Å; V70-F92 HydrophobicContact CG1-CE1 3.77Å; V70-F92 PolarHBondContact O-N 3.42Å; V70-V124 HydrophobicContact CG1-CG1 4.19Å; V70-H125 WeakPolarHBondContact CG2-O 3.23Å; V70-H125 PolarHBondContact N-O 3.02Å; V70-H125 VanDerWaalsContact N-O 3.13Å; V70-C126 HydrophobicContact CG2-CB 3.61Å; V70-R151 HydrophobicContact CB-CB 4.29Å; V70-R151 HydrophobicContact CG2-CB 3.6Å; V70-R151 PolarHBondContact O-NH1 2.91Å; V70-A152 HydrophobicContact CG2-CB 4.49Å; V70-L155 HydrophobicContact CG1-CD1 3.51Å
71	C	83.3	Confident	89.6	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.02	24%	0.236	C	C	.	.	S	Bend	trans	-138	166.7	-173.3	-61.1	0	0	0	0	108.9	C126 V127 R151	C71-C126 HydrophobicContact CB-CB 4.09Å; C71-C126 WeakPolarHBondContact CB-SG 3.4Å; C71-C126 WeakPolarHBondContact SG-CA 2.97Å; C71-C126 WeakPolarHBondContact SG-CB 3.5Å; C71-C126 CovalentContact SG-SG 2.03Å; C71-C126 PolarHBondContact SG-SG 3.45Å; C71-V127 HydrophobicContact CB-CG2 3.45Å; C71-V127 VanDerWaalsContact CB-CG2 3.45Å; C71-R151 WeakPolarHBondContact SG-CD 3.41Å; C71-R151 PolarHBondContact SG-NE 2.92Å; C71-R151 VanDerWaalsContact SG-NE 3.39Å; C71-R151 PolarHBondContact SG-NH1 3.49Å
72	E	81.4	Confident	89.7	Confident	108 Å²	108	46.3 Å²	46.3	51%	0.505	24%	0.239	S	C	.	.			trans	-56.4	141.2	-169.1	-55	87.1	-171.3	0	0	111.1	R46 T74	R46-E72 PolarHBondContact NH2-O 2.71Å; R46-E72 IonicContact NH2-OE2 2.81Å; E72-T74 PolarHBondContact O-N 3.23Å
73	P	83	Confident	89.7	Confident	75 Å²	75	49.2 Å²	49.2	49%	0.487	25%	0.253	S	S	.	.			trans	-67.9	128.9	178.3	27.9	-34.1	0	0	0	110.3
74	T	82.8	Confident	89.8	Confident	66 Å²	66	50 Å²	50	41%	0.405	26%	0.26	S	S	.	.			trans	-128.2	5.1	-177.9	62.2	0	0	0	0	114	R46 E72	R46-T74 VanDerWaalsContact CD-OG1 3.28Å; R46-T74 WeakPolarHBondContact CD-OG1 3.26Å; R46-T74 VanDerWaalsContact CZ-CG2 3.48Å; E72-T74 PolarHBondContact O-N 3.23Å
75	Y	86.4	Confident	89.8	Confident	14 Å²	14	50 Å²	50	6%	0.055	26%	0.26	C	S	.	.	S	Bend	trans	-149.9	155.7	-177.7	67.2	-92.5	0	0	0	109.9	P47 D49 I52 R69 L80 H125	P47-Y75 HydrophobicContact CG-CD1 3.65Å; P47-Y75 HydrophobicContact CG-CD2 4.22Å; P47-Y75 HydrophobicContact CG-CE1 3.41Å; P47-Y75 VanDerWaalsContact CG-CE1 3.41Å; P47-Y75 HydrophobicContact CG-CE2 4.07Å; P47-Y75 HydrophobicContact CG-CG 4.04Å; D49-Y75 WeakPolarHBondContact OD1-CA 3.49Å; I52-Y75 HydrophobicContact CD1-CD2 3.59Å; I52-Y75 HydrophobicContact CD1-CE2 3.8Å; I52-Y75 HydrophobicContact CD1-CG 4.39Å; R69-Y75 WeakPolarHBondContact CD-OH 3.38Å; R69-Y75 PolarHBondContact NH1-O 2.89Å; Y75-L80 HydrophobicContact CD2-CD1 4.34Å; Y75-L80 HydrophobicContact CE2-CD1 3.46Å; Y75-L80 VanDerWaalsContact CE2-CD1 3.46Å; Y75-H125 AromaticContact CE1-CE1 3.73Å; Y75-H125 AromaticContact CE1-NE2 3.81Å; Y75-H125 AromaticContact CZ-NE2 3.83Å; Y75-H125 PolarHBondContact OH-NE2 2.62Å
76	T	87.7	Confident	89.8	Confident	80 Å²	80	49.4 Å²	49.4	49%	0.491	26%	0.259	S	S	.	.			trans	-71.5	132.2	-179.4	53.2	0	0	0	0	111.9	D49	D49-T76 PolarHBondContact OD1-N 3.29Å; D49-T76 PolarHBondContact OD1-OG1 3.31Å
77	T	90.9	Very high	89.8	Confident	23 Å²	23	50 Å²	50	14%	0.141	26%	0.263	C	S	.	.	S	Bend	trans	-88.3	-13	-178	52.6	0	0	0	0	113.5	L80 R81 I87	T77-L80 WeakPolarHBondContact O-CB 3.49Å; T77-L80 PolarHBondContact O-N 2.97Å; T77-L80 VanDerWaalsContact O-N 3.1Å; T77-R81 PolarHBondContact O-N 3.41Å; T77-I87 HydrophobicContact CG2-CB 4.12Å; T77-I87 HydrophobicContact CG2-CD1 4.4Å; T77-I87 HydrophobicContact CG2-CG1 4.09Å; T77-I87 HydrophobicContact CG2-CG2 3.86Å
78	E	92.3	Very high	89.7	Confident	107 Å²	107	51.4 Å²	51.4	50%	0.5	27%	0.27	S	S	.	.	H	α-helix	trans	-54.7	-46.6	-175.1	-155.8	61.7	-157.6	0	0	112.9	L80 R81 Q82	E78-L80 VanDerWaalsContact C-N 3.26Å; E78-L80 PolarHBondContact O-N 2.7Å; E78-R81 PolarHBondContact O-N 2.87Å; E78-Q82 WeakPolarHBondContact O-CG 3.49Å; E78-Q82 PolarHBondContact O-N 2.84Å
79	P	92	Very high	89.6	Confident	35 Å²	35	55.2 Å²	55.2	23%	0.227	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-31.2	179.4	-23.4	36.6	0	0	0	113.3	I52 I56 E83	I52-P79 HydrophobicContact CG1-CB 4.39Å; I52-P79 HydrophobicContact CG2-CB 4.49Å; I52-P79 HydrophobicContact CG2-CG 4.42Å; I56-P79 HydrophobicContact CD1-CB 3.71Å; I56-P79 WeakPolarHBondContact CD1-O 3.37Å; P79-E83 VanDerWaalsContact O-CG 3.25Å; P79-E83 WeakPolarHBondContact O-CG 3.28Å
80	L	92.3	Very high	89.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-74.6	-41	176.5	-73.6	144.1	0	0	0	111.5	I52 F55 I56 L59 Y75 T77 E78 E83 G84 I85 I87	I52-L80 HydrophobicContact CD1-CD1 3.84Å; I52-L80 HydrophobicContact CD1-CG 4.37Å; F55-L80 HydrophobicContact CD1-CD2 4.15Å; F55-L80 HydrophobicContact CE1-CD2 4.17Å; I56-L80 HydrophobicContact CD1-CG 4.37Å; I56-L80 HydrophobicContact CG1-CD2 3.82Å; I56-L80 HydrophobicContact CG1-CG 3.99Å; L59-L80 HydrophobicContact CD1-CD2 3.4Å; L59-L80 VanDerWaalsContact CD1-CD2 3.4Å; Y75-L80 HydrophobicContact CD2-CD1 4.34Å; Y75-L80 HydrophobicContact CE2-CD1 3.46Å; Y75-L80 VanDerWaalsContact CE2-CD1 3.46Å; T77-L80 WeakPolarHBondContact O-CB 3.49Å; T77-L80 PolarHBondContact O-N 2.97Å; T77-L80 VanDerWaalsContact O-N 3.1Å; E78-L80 VanDerWaalsContact C-N 3.26Å; E78-L80 PolarHBondContact O-N 2.7Å; L80-E83 PolarHBondContact O-N 2.99Å; L80-E83 VanDerWaalsContact O-N 3.13Å; L80-G84 PolarHBondContact O-N 2.86Å; L80-I85 HydrophobicContact CB-CB 4.31Å; L80-I85 HydrophobicContact CD2-CB 4.37Å; L80-I85 HydrophobicContact CD2-CD1 3.9Å; L80-I85 HydrophobicContact CD2-CG2 4.14Å; L80-I85 WeakPolarHBondContact O-CB 2.8Å; L80-I85 PolarHBondContact O-N 3.36Å; L80-I87 HydrophobicContact CB-CD1 3.54Å; L80-I87 HydrophobicContact CB-CG1 4.2Å; L80-I87 HydrophobicContact CD1-CD1 4.42Å; L80-I87 HydrophobicContact CD1-CG1 4.26Å
81	R	92.8	Very high	89.5	Confident	134 Å²	134	62.2 Å²	62.2	51%	0.506	32%	0.322	S	S	.	.	H	α-helix	trans	-65.3	-39.7	178.9	-71.4	-175.8	177.7	171.2	-1.7	112	T77 E78 E83 G84 I87	T77-R81 PolarHBondContact O-N 3.41Å; E78-R81 PolarHBondContact O-N 2.87Å; R81-E83 PolarHBondContact O-N 2.68Å; R81-G84 PolarHBondContact O-N 2.93Å; R81-I87 HydrophobicContact CG-CD1 3.58Å
82	Q	92.5	Very high	89.4	Confident	144 Å²	144	62.5 Å²	62.5	67%	0.673	32%	0.323	S	S	*	.	H	α-helix	trans	-57.4	-28.1	174.1	-74.5	177.3	-11.8	0	0	112.4	E78 G84	E78-Q82 WeakPolarHBondContact O-CG 3.49Å; E78-Q82 PolarHBondContact O-N 2.84Å; Q82-G84 VanDerWaalsContact C-N 3.3Å
83	E	91.9	Very high	89	Confident	90 Å²	90	61.8 Å²	61.8	42%	0.421	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	10.3	180	-63.2	-75.5	-148.6	0	0	113.1	I56 K60 P79 L80 R81 I85	I56-E83 HydrophobicContact CG2-CB 4.24Å; I56-E83 HydrophobicContact CG2-CG 3.86Å; K60-E83 VanDerWaalsContact CE-CD 3.48Å; K60-E83 WeakPolarHBondContact CE-OE2 3.41Å; K60-E83 IonicContact NZ-OE1 3.13Å; K60-E83 PolarHBondContact NZ-OE1 3.36Å; K60-E83 IonicContact NZ-OE2 3.76Å; K60-E83 PolarHBondContact NZ-OE2 3.36Å; P79-E83 VanDerWaalsContact O-CG 3.25Å; P79-E83 WeakPolarHBondContact O-CG 3.28Å; L80-E83 PolarHBondContact O-N 2.99Å; L80-E83 VanDerWaalsContact O-N 3.13Å; R81-E83 PolarHBondContact O-N 2.68Å; E83-I85 VanDerWaalsContact C-N 3.28Å; E83-I85 HydrophobicContact CB-CD1 4.44Å; E83-I85 PolarHBondContact O-N 3.4Å
84	G	91.7	Very high	88.4	Confident	50 Å²	50	61 Å²	61	52%	0.515	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	21.9	179.6	0	0	0	0	0	113.7	L80 R81 Q82	L80-G84 PolarHBondContact O-N 2.86Å; R81-G84 PolarHBondContact O-N 2.93Å; Q82-G84 VanDerWaalsContact C-N 3.3Å
85	I	93.1	Very high	87.7	Confident	5 Å²	5	58.5 Å²	58.5	3%	0.026	31%	0.307	C	S	.	.			trans	-94.3	122.6	174.3	-59.8	167	0	0	0	108	L59 V67 L80 E83 I87	L59-I85 HydrophobicContact CB-CD1 4.03Å; L59-I85 HydrophobicContact CD1-CD1 3.93Å; L59-I85 HydrophobicContact CD1-CG2 4.45Å; V67-I85 HydrophobicContact CB-CG2 4.4Å; V67-I85 HydrophobicContact CG2-CG2 3.56Å; L80-I85 HydrophobicContact CB-CB 4.31Å; L80-I85 HydrophobicContact CD2-CB 4.37Å; L80-I85 HydrophobicContact CD2-CD1 3.9Å; L80-I85 HydrophobicContact CD2-CG2 4.14Å; L80-I85 WeakPolarHBondContact O-CB 2.8Å; L80-I85 PolarHBondContact O-N 3.36Å; E83-I85 VanDerWaalsContact C-N 3.28Å; E83-I85 HydrophobicContact CB-CD1 4.44Å; E83-I85 PolarHBondContact O-N 3.4Å; I85-I87 WeakPolarHBondContact O-CD1 3.46Å
86	Q	93.4	Very high	87	Confident	91 Å²	91	59.8 Å²	59.8	43%	0.425	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	134.3	176.5	-178.4	176.1	-9.2	0	0	109.9	K65 D66 V67 L88	K65-Q86 PolarHBondContact O-N 2.89Å; D66-Q86 CarbonylContact C-O 3.54Å; D66-Q86 WeakPolarHBondContact CA-O 3.27Å; D66-Q86 WeakPolarHBondContact OD1-CB 3.46Å; D66-Q86 PolarHBondContact OD1-OE1 3.11Å; V67-Q86 PolarHBondContact N-O 3.2Å; Q86-L88 HydrophobicContact CG-CG 4.42Å
87	I	92.5	Very high	86.6	Confident	14 Å²	14	58.5 Å²	58.5	7%	0.072	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131	177.5	-57.3	89.2	0	0	0	109.1	V67 R69 T77 L80 R81 I85	V67-I87 WeakPolarHBondContact O-CA 3.28Å; R69-I87 HydrophobicContact CG-CG2 3.78Å; T77-I87 HydrophobicContact CG2-CB 4.12Å; T77-I87 HydrophobicContact CG2-CD1 4.4Å; T77-I87 HydrophobicContact CG2-CG1 4.09Å; T77-I87 HydrophobicContact CG2-CG2 3.86Å; L80-I87 HydrophobicContact CB-CD1 3.54Å; L80-I87 HydrophobicContact CB-CG1 4.2Å; L80-I87 HydrophobicContact CD1-CD1 4.42Å; L80-I87 HydrophobicContact CD1-CG1 4.26Å; R81-I87 HydrophobicContact CG-CD1 3.58Å; I85-I87 WeakPolarHBondContact O-CD1 3.46Å
88	L	92.9	Very high	86.4	Confident	29 Å²	29	57.5 Å²	57.5	15%	0.152	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121	-177.8	-66.3	165	0	0	0	109.8	V67 V68 R69 Q86 W90 L109	V67-L88 PolarHBondContact O-N 3.13Å; V68-L88 WeakPolarHBondContact CA-O 3.35Å; V68-L88 HydrophobicContact CG2-CB 4.3Å; V68-L88 HydrophobicContact CG2-CD1 4.2Å; R69-L88 PolarHBondContact N-O 3.25Å; Q86-L88 HydrophobicContact CG-CG 4.42Å; L88-W90 HydrophobicContact CB-CZ2 4.11Å; L88-W90 HydrophobicContact CD1-CH2 4.22Å; L88-W90 HydrophobicContact CD1-CZ2 3.85Å; L88-W90 HydrophobicContact CD2-CZ2 4.35Å; L88-W90 HydrophobicContact CG-CZ2 4.34Å; L88-L109 HydrophobicContact CD1-CD1 3.57Å; L88-L109 HydrophobicContact CD1-CD2 3.5Å; L88-L109 VanDerWaalsContact CD1-CD2 3.5Å; L88-L109 HydrophobicContact CD1-CG 4.11Å
89	D	91	Very high	86.3	Confident	79 Å²	79	54.7 Å²	54.7	42%	0.422	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	103	-176.6	-72.4	-50.4	0	0	0	111.1	R69	R69-D89 WeakPolarHBondContact CB-OD1 3.46Å; R69-D89 IonicContact CZ-OD1 3.77Å; R69-D89 IonicContact CZ-OD2 2.71Å; R69-D89 IonicContact NE-OD1 3.72Å; R69-D89 PolarHBondContact NE-OD1 3.35Å; R69-D89 IonicContact NE-OD2 2.62Å; R69-D89 IonicContact NH2-OD1 2.89Å; R69-D89 PolarHBondContact NH2-OD1 3.44Å; R69-D89 IonicContact NH2-OD2 2.82Å; R69-D89 PolarHBondContact NH2-OD2 3.32Å
90	W	89.6	Confident	86.1	Confident	26 Å²	26	59.1 Å²	59.1	10%	0.098	31%	0.311	C	S	.	.			trans	-127.3	64.2	-178.9	-56.6	-24	0	0	0	110.6	V68 R69 V70 L88 F92 V102 K105 W106 L109	V68-W90 HydrophobicContact CG1-CD2 4.04Å; V68-W90 HydrophobicContact CG1-CE3 3.43Å; V68-W90 VanDerWaalsContact CG1-CE3 3.43Å; V68-W90 HydrophobicContact CG1-CZ3 3.79Å; V68-W90 HydrophobicContact CG2-CH2 4.36Å; V68-W90 HydrophobicContact CG2-CZ3 4.1Å; R69-W90 PolarHBondContact O-N 2.88Å; V70-W90 WeakPolarHBondContact CA-O 3.28Å; L88-W90 HydrophobicContact CB-CZ2 4.11Å; L88-W90 HydrophobicContact CD1-CH2 4.22Å; L88-W90 HydrophobicContact CD1-CZ2 3.85Å; L88-W90 HydrophobicContact CD2-CZ2 4.35Å; L88-W90 HydrophobicContact CG-CZ2 4.34Å; W90-F92 WeakPolarHBondContact O-CD1 3.41Å; W90-V102 HydrophobicContact CB-CG1 4.1Å; W90-V102 HydrophobicContact CB-CG2 4.21Å; W90-V102 HydrophobicContact CE3-CG1 4.38Å; W90-K105 HydrophobicContact CD2-CB 4.36Å; W90-K105 HydrophobicContact CH2-CB 4.09Å; W90-K105 WeakPolarHBondContact CH2-O 3.44Å; W90-K105 HydrophobicContact CZ2-CB 3.79Å; W90-K105 HydrophobicContact CZ3-CB 4.49Å; W90-W106 HydrophobicContact CE3-CB 4.49Å; W90-W106 HydrophobicContact CH2-CB 4.38Å; W90-W106 HydrophobicContact CH2-CE3 4.24Å; W90-W106 VanDerWaalsContact CZ3-CA 3.46Å; W90-W106 HydrophobicContact CZ3-CB 3.71Å; W90-W106 HydrophobicContact CZ3-CD2 4.33Å; W90-W106 AromaticContact CZ3-CE3 3.69Å; W90-W106 HydrophobicContact CZ3-CE3 3.69Å; W90-W106 HydrophobicContact CZ3-CG 4.41Å; W90-L109 HydrophobicContact CH2-CB 3.88Å; W90-L109 HydrophobicContact CH2-CD2 3.72Å; W90-L109 HydrophobicContact CH2-CG 4.4Å; W90-L109 HydrophobicContact CZ2-CD2 4.48Å; W90-L109 HydrophobicContact CZ3-CD2 4.43Å
91	E	85.3	Confident	86.1	Confident	134 Å²	134	65.7 Å²	65.7	63%	0.626	34%	0.342	S	S	*	.			trans	-60.2	138.9	176.5	59.9	-179.6	-141.4	0	0	112.4
92	F	82.4	Confident	86	Confident	9 Å²	9	59.8 Å²	59.8	4%	0.039	32%	0.321	C	S	.	.			trans	-151.8	155.2	169.6	62.5	-90.7	0	0	0	111	V70 W90 P98 P99 V102 R151	V70-F92 HydrophobicContact CB-CD1 4.19Å; V70-F92 HydrophobicContact CB-CE1 3.66Å; V70-F92 HydrophobicContact CB-CZ 4.42Å; V70-F92 HydrophobicContact CG1-CD1 4.49Å; V70-F92 HydrophobicContact CG1-CE1 3.77Å; V70-F92 PolarHBondContact O-N 3.42Å; W90-F92 WeakPolarHBondContact O-CD1 3.41Å; F92-P98 HydrophobicContact CD2-CB 4.45Å; F92-P98 HydrophobicContact CE1-CB 4.23Å; F92-P98 HydrophobicContact CE2-CB 4.11Å; F92-P98 HydrophobicContact CZ-CB 3.97Å; F92-P99 HydrophobicContact CB-CG 4.09Å; F92-V102 HydrophobicContact CD1-CG1 4.01Å; F92-V102 HydrophobicContact CD1-CG2 4.46Å; F92-V102 HydrophobicContact CE1-CG1 4.14Å; F92-R151 HydrophobicContact CD2-CG 4.46Å; F92-R151 HydrophobicContact CE1-CB 4.26Å; F92-R151 HydrophobicContact CE2-CB 3.85Å; F92-R151 HydrophobicContact CE2-CG 3.8Å; F92-R151 HydrophobicContact CZ-CB 3.54Å; F92-R151 HydrophobicContact CZ-CG 4.02Å; F92-R151 WeakPolarHBondContact O-CD 3.35Å; F92-R151 PolarHBondContact O-NE 3.48Å; F92-R151 PolarHBondContact O-NH1 3.25Å
93	P	72.8	Confident	86	Confident	92 Å²	92	55.6 Å²	55.6	60%	0.597	30%	0.299	S	S	*	.			trans	-59.7	150.2	-174	-22.3	32.5	0	0	0	114.1	S96	P93-S96 PolarHBondContact O-OG 3.16Å
94	D	71.1	Confident	86	Confident	59 Å²	59	54.6 Å²	54.6	32%	0.316	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	147.7	-179.1	-165.3	9.7	0	0	0	113.1	S96 F149	D94-S96 PolarHBondContact O-N 3.03Å; D94-F149 WeakPolarHBondContact OD1-CB 3.39Å; D94-F149 WeakPolarHBondContact OD1-CD1 3.22Å; D94-F149 WeakPolarHBondContact OD2-CB 3.26Å; D94-F149 WeakPolarHBondContact OD2-CD1 3.46Å; D94-F149 WeakPolarHBondContact OD2-CG 3.37Å
95	G	66.7	Low	86.1	Confident	13 Å²	13	57.2 Å²	57.2	13%	0.134	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	-8	177.2	0	0	0	0	0	115.6
96	S	71.5	Confident	86.2	Confident	41 Å²	41	57 Å²	57	29%	0.287	29%	0.292	S	S	.	.	S	Bend	trans	-94.2	152.4	171.9	51.7	0	0	0	0	111.9	P93 D94	P93-S96 PolarHBondContact O-OG 3.16Å; D94-S96 PolarHBondContact O-N 3.03Å
97	P	80	Confident	86.2	Confident	53 Å²	53	52.9 Å²	52.9	34%	0.344	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-55.3	147.2	168.4	-24.8	35.6	0	0	0	112.1	Y189	P97-Y189 HydrophobicContact CB-CD1 3.9Å; P97-Y189 HydrophobicContact CB-CD2 3.42Å; P97-Y189 VanDerWaalsContact CB-CD2 3.42Å; P97-Y189 HydrophobicContact CB-CE1 3.99Å; P97-Y189 HydrophobicContact CB-CE2 3.53Å; P97-Y189 HydrophobicContact CB-CG 3.61Å; P97-Y189 HydrophobicContact CG-CD1 4.3Å; P97-Y189 HydrophobicContact CG-CD2 3.47Å; P97-Y189 VanDerWaalsContact CG-CD2 3.47Å; P97-Y189 HydrophobicContact CG-CE2 4.09Å; P97-Y189 HydrophobicContact CG-CG 3.59Å
98	P	86.9	Confident	86.2	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.019	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-61.7	135.9	175.2	25.3	-32.6	0	0	0	110.1	F92 V102 V154 L155 L158 Y189	F92-P98 HydrophobicContact CD2-CB 4.45Å; F92-P98 HydrophobicContact CE1-CB 4.23Å; F92-P98 HydrophobicContact CE2-CB 4.11Å; F92-P98 HydrophobicContact CZ-CB 3.97Å; P98-V102 HydrophobicContact CB-CG1 4.33Å; P98-V154 HydrophobicContact CG-CG1 4.2Å; P98-L155 HydrophobicContact CB-CD2 4.07Å; P98-L155 HydrophobicContact CG-CD2 4.13Å; P98-L158 HydrophobicContact CG-CD1 3.63Å; P98-Y189 HydrophobicContact CG-CE1 4.47Å
99	P	89	Confident	86.3	Confident	47 Å²	47	58 Å²	58	31%	0.305	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-61.5	157.2	176.9	26.2	-33.3	0	0	0	110.4	F92 E101 V102 R103	F92-P99 HydrophobicContact CB-CG 4.09Å; P99-E101 PolarHBondContact O-N 3.48Å; P99-V102 HydrophobicContact CG-CB 4.01Å; P99-V102 HydrophobicContact CG-CG2 3.63Å; P99-V102 PolarHBondContact O-N 2.73Å; P99-V102 VanDerWaalsContact O-N 3.12Å; P99-R103 PolarHBondContact O-N 3.04Å; P99-R103 VanDerWaalsContact O-N 3.1Å
100	K	89.4	Confident	86.3	Confident	129 Å²	129	54.2 Å²	54.2	56%	0.561	28%	0.276	S	S	*	.	H	α-helix	trans	-56.5	-40.2	-176.2	-174.3	179.1	177.1	-67	0	111.6	V102 R103 D104	K100-V102 PolarHBondContact O-N 3.38Å; K100-R103 WeakPolarHBondContact O-CB 3.31Å; K100-R103 PolarHBondContact O-N 3.05Å; K100-D104 IonicContact NZ-OD1 3.73Å; K100-D104 IonicContact NZ-OD2 3Å; K100-D104 PolarHBondContact NZ-OD2 3.25Å; K100-D104 PolarHBondContact O-N 3.01Å
101	E	91.3	Very high	86.4	Confident	138 Å²	138	55.4 Å²	55.4	65%	0.645	28%	0.282	S	S	*	.	H	α-helix	trans	-59.4	-43.8	178	-60.4	118.1	-143.6	0	0	113	P99 R103 D104 K105	P99-E101 PolarHBondContact O-N 3.48Å; E101-R103 VanDerWaalsContact C-N 3.32Å; E101-D104 PolarHBondContact O-N 3.17Å; E101-K105 WeakPolarHBondContact O-CB 3.36Å; E101-K105 VanDerWaalsContact O-CG 3.31Å; E101-K105 WeakPolarHBondContact O-CG 3.38Å; E101-K105 PolarHBondContact O-N 2.97Å
102	V	91.7	Very high	86.7	Confident	10 Å²	10	53.4 Å²	53.4	6%	0.061	28%	0.276	C	S	.	.	H	α-helix	trans	-67.2	-38.5	179	171.4	0	0	0	0	110.5	W90 F92 P98 P99 K100 W106 L155	W90-V102 HydrophobicContact CB-CG1 4.1Å; W90-V102 HydrophobicContact CB-CG2 4.21Å; W90-V102 HydrophobicContact CE3-CG1 4.38Å; F92-V102 HydrophobicContact CD1-CG1 4.01Å; F92-V102 HydrophobicContact CD1-CG2 4.46Å; F92-V102 HydrophobicContact CE1-CG1 4.14Å; P98-V102 HydrophobicContact CB-CG1 4.33Å; P99-V102 HydrophobicContact CG-CB 4.01Å; P99-V102 HydrophobicContact CG-CG2 3.63Å; P99-V102 PolarHBondContact O-N 2.73Å; P99-V102 VanDerWaalsContact O-N 3.12Å; K100-V102 PolarHBondContact O-N 3.38Å; V102-W106 VanDerWaalsContact O-CB 3.28Å; V102-W106 WeakPolarHBondContact O-CB 3.39Å; V102-W106 PolarHBondContact O-N 3.05Å; V102-L155 HydrophobicContact CG1-CD2 4.3Å
103	R	91.1	Very high	87.1	Confident	56 Å²	56	54.9 Å²	54.9	21%	0.211	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-47.8	175.4	-170.5	-163.9	-39.4	167.3	9.7	111.4	P99 K100 E101 W106 M107 L158 Y189 Y193	P99-R103 PolarHBondContact O-N 3.04Å; P99-R103 VanDerWaalsContact O-N 3.1Å; K100-R103 WeakPolarHBondContact O-CB 3.31Å; K100-R103 PolarHBondContact O-N 3.05Å; E101-R103 VanDerWaalsContact C-N 3.32Å; R103-W106 WeakPolarHBondContact O-CB 3.26Å; R103-W106 PolarHBondContact O-N 2.99Å; R103-M107 HydrophobicContact CG-CE 4.02Å; R103-M107 VanDerWaalsContact O-CG 3.31Å; R103-M107 WeakPolarHBondContact O-CG 3.41Å; R103-M107 PolarHBondContact O-N 3.46Å; R103-L158 HydrophobicContact CG-CD1 4.4Å; R103-Y189 PolarHBondContact NE-OH 2.79Å; R103-Y189 PolarHBondContact NH2-OH 2.61Å; R103-Y193 WeakPolarHBondContact CD-OH 3.47Å
104	D	92.5	Very high	87.7	Confident	68 Å²	68	50.7 Å²	50.7	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-63.5	-45.7	-177.6	-66.4	-13.8	0	0	0	110.4	K100 E101 W106 M107 E108	K100-D104 IonicContact NZ-OD1 3.73Å; K100-D104 IonicContact NZ-OD2 3Å; K100-D104 PolarHBondContact NZ-OD2 3.25Å; K100-D104 PolarHBondContact O-N 3.01Å; E101-D104 PolarHBondContact O-N 3.17Å; D104-W106 VanDerWaalsContact C-N 3.31Å; D104-W106 PolarHBondContact O-N 3.36Å; D104-M107 PolarHBondContact O-N 2.98Å; D104-E108 WeakPolarHBondContact O-CB 3.45Å; D104-E108 PolarHBondContact O-N 3Å
105	K	94.3	Very high	88.4	Confident	105 Å²	105	51.6 Å²	51.6	46%	0.457	26%	0.264	S	S	.	.	H	α-helix	trans	-58.4	-41.3	172.9	-72.6	177	-177.6	178.5	0	112.6	W90 E101 E108 L109	W90-K105 HydrophobicContact CD2-CB 4.36Å; W90-K105 HydrophobicContact CH2-CB 4.09Å; W90-K105 WeakPolarHBondContact CH2-O 3.44Å; W90-K105 HydrophobicContact CZ2-CB 3.79Å; W90-K105 HydrophobicContact CZ3-CB 4.49Å; E101-K105 WeakPolarHBondContact O-CB 3.36Å; E101-K105 VanDerWaalsContact O-CG 3.31Å; E101-K105 WeakPolarHBondContact O-CG 3.38Å; E101-K105 PolarHBondContact O-N 2.97Å; K105-E108 PolarHBondContact O-N 3.29Å; K105-L109 WeakPolarHBondContact O-CB 3.46Å; K105-L109 PolarHBondContact O-N 3.17Å
106	W	94.2	Very high	89.3	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-48.3	175.8	176.9	-122	0	0	0	111.5	F41 V68 W90 V102 R103 D104 E108 L109 L110 V122 V124 L155 A159	F41-W106 AromaticContact CD1-CH2 3.91Å; F41-W106 HydrophobicContact CD1-CH2 3.91Å; F41-W106 AromaticContact CD1-CZ2 3.9Å; F41-W106 HydrophobicContact CD1-CZ2 3.9Å; F41-W106 AromaticContact CE1-CH2 3.9Å; F41-W106 HydrophobicContact CE1-CH2 3.9Å; F41-W106 AromaticContact CE1-CZ2 3.62Å; F41-W106 HydrophobicContact CE1-CZ2 3.62Å; V68-W106 HydrophobicContact CG2-CE3 4.2Å; V68-W106 HydrophobicContact CG2-CZ3 3.77Å; W90-W106 HydrophobicContact CE3-CB 4.49Å; W90-W106 HydrophobicContact CH2-CB 4.38Å; W90-W106 HydrophobicContact CH2-CE3 4.24Å; W90-W106 VanDerWaalsContact CZ3-CA 3.46Å; W90-W106 HydrophobicContact CZ3-CB 3.71Å; W90-W106 HydrophobicContact CZ3-CD2 4.33Å; W90-W106 AromaticContact CZ3-CE3 3.69Å; W90-W106 HydrophobicContact CZ3-CE3 3.69Å; W90-W106 HydrophobicContact CZ3-CG 4.41Å; V102-W106 VanDerWaalsContact O-CB 3.28Å; V102-W106 WeakPolarHBondContact O-CB 3.39Å; V102-W106 PolarHBondContact O-N 3.05Å; R103-W106 WeakPolarHBondContact O-CB 3.26Å; R103-W106 PolarHBondContact O-N 2.99Å; D104-W106 VanDerWaalsContact C-N 3.31Å; D104-W106 PolarHBondContact O-N 3.36Å; W106-E108 VanDerWaalsContact C-N 3.32Å; W106-E108 PolarHBondContact O-N 3.37Å; W106-L109 HydrophobicContact CE3-CD2 4Å; W106-L109 HydrophobicContact CZ3-CD2 4Å; W106-L109 PolarHBondContact O-N 3.01Å; W106-L110 HydrophobicContact CD2-CD1 4.09Å; W106-L110 HydrophobicContact CD2-CD2 4.32Å; W106-L110 HydrophobicContact CD2-CG 4.05Å; W106-L110 HydrophobicContact CE3-CD2 4.05Å; W106-L110 HydrophobicContact CE3-CG 4.2Å; W106-L110 HydrophobicContact CH2-CD1 4.41Å; W106-L110 HydrophobicContact CH2-CD2 3.72Å; W106-L110 HydrophobicContact CH2-CG 4.39Å; W106-L110 HydrophobicContact CZ2-CD1 3.75Å; W106-L110 HydrophobicContact CZ2-CD2 3.93Å; W106-L110 HydrophobicContact CZ2-CG 4.16Å; W106-L110 HydrophobicContact CZ3-CD2 3.78Å; W106-L110 HydrophobicContact CZ3-CG 4.4Å; W106-L110 VanDerWaalsContact O-CG 3.32Å; W106-L110 WeakPolarHBondContact O-CG 3.11Å; W106-L110 PolarHBondContact O-N 2.85Å; W106-V122 HydrophobicContact CH2-CB 4.44Å; W106-V122 HydrophobicContact CH2-CG1 3.69Å; W106-V122 HydrophobicContact CZ3-CG1 3.53Å; W106-V124 HydrophobicContact CH2-CG2 3.44Å; W106-V124 VanDerWaalsContact CH2-CG2 3.44Å; W106-V124 HydrophobicContact CZ2-CG2 4.24Å; W106-V124 HydrophobicContact CZ3-CG2 3.91Å; W106-L155 HydrophobicContact CB-CD2 4.5Å; W106-L155 HydrophobicContact CD2-CB 4.42Å; W106-L155 HydrophobicContact CG-CD2 4.32Å; W106-L155 HydrophobicContact CZ2-CB 4.31Å; W106-L155 PolarHBondContact NE1-O 2.89Å; W106-A159 HydrophobicContact CZ2-CB 4.42Å
107	M	93.6	Very high	89.8	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-63.5	-39.7	178.7	-62.2	-48.3	168.5	0	0	112	R103 D104 L110 K111 L158 E162 L199	R103-M107 HydrophobicContact CG-CE 4.02Å; R103-M107 VanDerWaalsContact O-CG 3.31Å; R103-M107 WeakPolarHBondContact O-CG 3.41Å; R103-M107 PolarHBondContact O-N 3.46Å; D104-M107 PolarHBondContact O-N 2.98Å; M107-L110 PolarHBondContact O-N 2.84Å; M107-K111 WeakPolarHBondContact O-CB 3.31Å; M107-K111 WeakPolarHBondContact O-CD 3.44Å; M107-K111 WeakPolarHBondContact O-CG 3.42Å; M107-K111 PolarHBondContact O-N 2.86Å; M107-L158 HydrophobicContact CE-CB 3.93Å; M107-E162 HydrophobicContact CE-CB 4.36Å; M107-E162 HydrophobicContact CE-CG 3.45Å; M107-E162 VanDerWaalsContact CE-CG 3.45Å; M107-E162 HydrophobicContact SD-CB 4.3Å; M107-E162 HydrophobicContact SD-CG 3.79Å; M107-L199 HydrophobicContact SD-CD1 3.96Å
108	E	93.8	Very high	89.7	Confident	134 Å²	134	59.3 Å²	59.3	63%	0.626	31%	0.308	S	S	*	.	H	α-helix	trans	-62	-47.9	175.7	-173.2	175.1	-164.2	0	0	111.8	D104 K105 W106 L110 K111 D112	D104-E108 WeakPolarHBondContact O-CB 3.45Å; D104-E108 PolarHBondContact O-N 3Å; K105-E108 PolarHBondContact O-N 3.29Å; W106-E108 VanDerWaalsContact C-N 3.32Å; W106-E108 PolarHBondContact O-N 3.37Å; E108-L110 PolarHBondContact O-N 2.68Å; E108-K111 PolarHBondContact O-N 2.91Å; E108-D112 PolarHBondContact O-N 3.38Å
109	L	93.9	Very high	89.3	Confident	17 Å²	17	60.6 Å²	60.6	9%	0.089	32%	0.321	C	S	.	.	H	α-helix	trans	-55.5	-50.5	174.9	178.4	71	0	0	0	111.2	V68 L88 W90 K105 W106 K111 D112 R113 V122	V68-L109 HydrophobicContact CG2-CD2 3.73Å; L88-L109 HydrophobicContact CD1-CD1 3.57Å; L88-L109 HydrophobicContact CD1-CD2 3.5Å; L88-L109 VanDerWaalsContact CD1-CD2 3.5Å; L88-L109 HydrophobicContact CD1-CG 4.11Å; W90-L109 HydrophobicContact CH2-CB 3.88Å; W90-L109 HydrophobicContact CH2-CD2 3.72Å; W90-L109 HydrophobicContact CH2-CG 4.4Å; W90-L109 HydrophobicContact CZ2-CD2 4.48Å; W90-L109 HydrophobicContact CZ3-CD2 4.43Å; K105-L109 WeakPolarHBondContact O-CB 3.46Å; K105-L109 PolarHBondContact O-N 3.17Å; W106-L109 HydrophobicContact CE3-CD2 4Å; W106-L109 HydrophobicContact CZ3-CD2 4Å; W106-L109 PolarHBondContact O-N 3.01Å; L109-K111 VanDerWaalsContact C-N 3.31Å; L109-K111 PolarHBondContact O-N 3.43Å; L109-D112 PolarHBondContact O-N 3.43Å; L109-R113 HydrophobicContact CD1-CG 3.8Å; L109-R113 HydrophobicContact CG-CG 4.22Å; L109-R113 WeakPolarHBondContact O-CB 2.98Å; L109-R113 WeakPolarHBondContact O-CG 3.41Å; L109-R113 PolarHBondContact O-N 2.88Å; L109-V122 HydrophobicContact CD2-CG1 4.23Å
110	L	92.5	Very high	89.1	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-37.8	-177.8	-63.8	-169.9	0	0	0	112.3	F41 W106 M107 E108 F114 V122 A159 L199	F41-L110 HydrophobicContact CE1-CD1 3.7Å; F41-L110 HydrophobicContact CE1-CD2 3.7Å; F41-L110 HydrophobicContact CE1-CG 4.34Å; F41-L110 HydrophobicContact CZ-CD1 3.85Å; F41-L110 HydrophobicContact CZ-CD2 4.48Å; W106-L110 HydrophobicContact CD2-CD1 4.09Å; W106-L110 HydrophobicContact CD2-CD2 4.32Å; W106-L110 HydrophobicContact CD2-CG 4.05Å; W106-L110 HydrophobicContact CE3-CD2 4.05Å; W106-L110 HydrophobicContact CE3-CG 4.2Å; W106-L110 HydrophobicContact CH2-CD1 4.41Å; W106-L110 HydrophobicContact CH2-CD2 3.72Å; W106-L110 HydrophobicContact CH2-CG 4.39Å; W106-L110 HydrophobicContact CZ2-CD1 3.75Å; W106-L110 HydrophobicContact CZ2-CD2 3.93Å; W106-L110 HydrophobicContact CZ2-CG 4.16Å; W106-L110 HydrophobicContact CZ3-CD2 3.78Å; W106-L110 HydrophobicContact CZ3-CG 4.4Å; W106-L110 VanDerWaalsContact O-CG 3.32Å; W106-L110 WeakPolarHBondContact O-CG 3.11Å; W106-L110 PolarHBondContact O-N 2.85Å; M107-L110 PolarHBondContact O-N 2.84Å; E108-L110 PolarHBondContact O-N 2.68Å; L110-F114 HydrophobicContact CB-CD2 3.89Å; L110-F114 HydrophobicContact CB-CE2 3.84Å; L110-F114 HydrophobicContact CD1-CE2 4.18Å; L110-F114 HydrophobicContact CD2-CD2 4.39Å; L110-F114 HydrophobicContact CD2-CE2 3.59Å; L110-F114 HydrophobicContact CD2-CZ 4.01Å; L110-F114 HydrophobicContact CG-CE2 4.04Å; L110-F114 VanDerWaalsContact O-CB 3.31Å; L110-F114 WeakPolarHBondContact O-CB 3.12Å; L110-F114 WeakPolarHBondContact O-CD2 3.33Å; L110-F114 WeakPolarHBondContact O-CG 3.31Å; L110-F114 PolarHBondContact O-N 3.19Å; L110-V122 HydrophobicContact CD2-CB 4.37Å; L110-V122 HydrophobicContact CD2-CG1 4.38Å; L110-V122 HydrophobicContact CD2-CG2 4.04Å; L110-A159 HydrophobicContact CD1-CB 3.39Å; L110-L199 HydrophobicContact CB-CD1 4.24Å; L110-L199 HydrophobicContact CB-CD2 4.16Å; L110-L199 HydrophobicContact CD1-CD1 3.82Å
111	K	90.9	Very high	89.3	Confident	50 Å²	50	52.6 Å²	52.6	22%	0.217	28%	0.283	C	S	.	.	H	α-helix	trans	-61.5	-49	175.1	-73.4	164.7	-163	173.6	0	111.1	M107 E108 L109 S115 E198 L199	M107-K111 WeakPolarHBondContact O-CB 3.31Å; M107-K111 WeakPolarHBondContact O-CD 3.44Å; M107-K111 WeakPolarHBondContact O-CG 3.42Å; M107-K111 PolarHBondContact O-N 2.86Å; E108-K111 PolarHBondContact O-N 2.91Å; L109-K111 VanDerWaalsContact C-N 3.31Å; L109-K111 PolarHBondContact O-N 3.43Å; K111-S115 WeakPolarHBondContact O-CB 3.46Å; K111-S115 PolarHBondContact O-N 3.33Å; K111-E198 IonicContact NZ-OE1 2.88Å; K111-E198 PolarHBondContact NZ-OE1 3.31Å; K111-E198 IonicContact NZ-OE2 2.69Å; K111-E198 PolarHBondContact NZ-OE2 2.97Å; K111-L199 HydrophobicContact CG-CD2 3.75Å
112	D	91.2	Very high	89.4	Confident	93 Å²	93	46 Å²	46	50%	0.497	25%	0.252	S	S	.	.	H	α-helix	trans	-62.2	-49.3	-179.1	179.9	60.5	0	0	0	111.1	E108 L109 S115 S116	E108-D112 PolarHBondContact O-N 3.38Å; L109-D112 PolarHBondContact O-N 3.43Å; D112-S115 PolarHBondContact O-N 3.24Å; D112-S116 VanDerWaalsContact O-CB 3.23Å; D112-S116 WeakPolarHBondContact O-CB 3.47Å; D112-S116 PolarHBondContact O-N 3.28Å; D112-S116 PolarHBondContact O-OG 3.47Å
113	R	90	Very high	89.5	Confident	40 Å²	40	45.6 Å²	45.6	15%	0.151	25%	0.249	C	C	.	.	H	α-helix	trans	-73.4	-44.6	-172.8	-59	-57.3	-78.8	-109.4	-15.8	113.4	K65 D66 L109 S115 S116 N117 T120	K65-R113 PolarHBondContact O-NH2 3.16Å; D66-R113 VanDerWaalsContact CG-NH1 3.32Å; D66-R113 IonicContact OD1-CZ 3.84Å; D66-R113 IonicContact OD1-NE 2.62Å; D66-R113 IonicContact OD1-NH1 2.61Å; D66-R113 PolarHBondContact OD1-NH1 3.33Å; D66-R113 IonicContact OD1-NH2 3.9Å; D66-R113 PolarHBondContact OD1-NH2 3.15Å; D66-R113 WeakPolarHBondContact OD2-CG 3.34Å; D66-R113 IonicContact OD2-CZ 2.67Å; D66-R113 IonicContact OD2-NE 3.92Å; D66-R113 PolarHBondContact OD2-NE 2.93Å; D66-R113 IonicContact OD2-NH1 3.95Å; D66-R113 PolarHBondContact OD2-NH1 3.48Å; D66-R113 IonicContact OD2-NH2 2.75Å; D66-R113 PolarHBondContact OD2-NH2 3.38Å; L109-R113 HydrophobicContact CD1-CG 3.8Å; L109-R113 HydrophobicContact CG-CG 4.22Å; L109-R113 WeakPolarHBondContact O-CB 2.98Å; L109-R113 WeakPolarHBondContact O-CG 3.41Å; L109-R113 PolarHBondContact O-N 2.88Å; R113-S115 VanDerWaalsContact C-N 3.32Å; R113-S116 PolarHBondContact O-N 3.38Å; R113-N117 PolarHBondContact O-N 3.12Å; R113-T120 HydrophobicContact CB-CG2 4.08Å
114	F	86.7	Confident	89.5	Confident	3 Å²	3	42.9 Å²	42.9	1%	0.013	24%	0.239	C	C	.	.	H	α-helix	trans	-76.8	-19.9	178	-59.4	-46.4	0	0	0	113	M39 F41 L110 T120 V122 F202	M39-F114 HydrophobicContact CB-CD2 4.09Å; M39-F114 HydrophobicContact CB-CE1 4.15Å; M39-F114 HydrophobicContact CB-CE2 3.59Å; M39-F114 HydrophobicContact CB-CZ 3.65Å; M39-F114 HydrophobicContact CG-CD2 3.52Å; M39-F114 HydrophobicContact CG-CE2 3.48Å; M39-F114 VanDerWaalsContact CG-CE2 3.48Å; M39-F114 HydrophobicContact CG-CG 4.06Å; M39-F114 HydrophobicContact CG-CZ 4.04Å; M39-F114 HydrophobicContact SD-CD2 3.92Å; M39-F114 HydrophobicContact SD-CE2 3.78Å; F41-F114 AromaticContact CE1-CE2 3.97Å; F41-F114 HydrophobicContact CE1-CE2 3.97Å; F41-F114 AromaticContact CE1-CZ 3.85Å; F41-F114 HydrophobicContact CE1-CZ 3.85Å; F41-F114 AromaticContact CZ-CE2 3.83Å; F41-F114 HydrophobicContact CZ-CE2 3.83Å; F41-F114 AromaticContact CZ-CZ 3.95Å; F41-F114 HydrophobicContact CZ-CZ 3.95Å; L110-F114 HydrophobicContact CB-CD2 3.89Å; L110-F114 HydrophobicContact CB-CE2 3.84Å; L110-F114 HydrophobicContact CD1-CE2 4.18Å; L110-F114 HydrophobicContact CD2-CD2 4.39Å; L110-F114 HydrophobicContact CD2-CE2 3.59Å; L110-F114 HydrophobicContact CD2-CZ 4.01Å; L110-F114 HydrophobicContact CG-CE2 4.04Å; L110-F114 VanDerWaalsContact O-CB 3.31Å; L110-F114 WeakPolarHBondContact O-CB 3.12Å; L110-F114 WeakPolarHBondContact O-CD2 3.33Å; L110-F114 WeakPolarHBondContact O-CG 3.31Å; L110-F114 PolarHBondContact O-N 3.19Å; F114-T120 HydrophobicContact CD1-CG2 3.76Å; F114-T120 HydrophobicContact CE1-CG2 3.95Å; F114-T120 WeakPolarHBondContact CE1-O 3.4Å; F114-V122 HydrophobicContact CE1-CG2 4.38Å; F114-V122 HydrophobicContact CZ-CG2 4.19Å; F114-F202 VanDerWaalsContact C-CE1 3.41Å; F114-F202 HydrophobicContact CB-CD1 3.79Å; F114-F202 HydrophobicContact CB-CD2 4.37Å; F114-F202 HydrophobicContact CB-CE1 3.79Å; F114-F202 HydrophobicContact CB-CE2 4.35Å; F114-F202 HydrophobicContact CB-CG 4.07Å; F114-F202 HydrophobicContact CB-CZ 4.04Å; F114-F202 WeakPolarHBondContact O-CE1 3.26Å
115	S	85.6	Confident	89.2	Confident	78 Å²	78	39.9 Å²	39.9	55%	0.545	22%	0.223	S	C	.	.	H	α-helix	trans	-77.8	-40.3	170.4	-165.3	0	0	0	0	111.9	K111 D112 R113	K111-S115 WeakPolarHBondContact O-CB 3.46Å; K111-S115 PolarHBondContact O-N 3.33Å; D112-S115 PolarHBondContact O-N 3.24Å; R113-S115 VanDerWaalsContact C-N 3.32Å
116	S	84.9	Confident	88.4	Confident	86 Å²	86	35.2 Å²	35.2	60%	0.601	20%	0.204	S	C	*	.	H	α-helix	trans	-75.8	-38.1	-178.6	-63.8	0	0	0	0	112.5	D112 R113	D112-S116 VanDerWaalsContact O-CB 3.23Å; D112-S116 WeakPolarHBondContact O-CB 3.47Å; D112-S116 PolarHBondContact O-N 3.28Å; D112-S116 PolarHBondContact O-OG 3.47Å; R113-S116 PolarHBondContact O-N 3.38Å
117	N	81.9	Confident	87.1	Confident	98 Å²	98	37 Å²	37	52%	0.524	22%	0.215	S	C	.	.	S	Bend	trans	-143.2	87.2	-176.9	-148.8	19.8	0	0	0	111.4	R113 G119 T120	R113-N117 PolarHBondContact O-N 3.12Å; N117-G119 PolarHBondContact O-N 2.59Å; N117-T120 WeakPolarHBondContact O-CB 3.47Å; N117-T120 VanDerWaalsContact O-CG2 3.26Å; N117-T120 WeakPolarHBondContact O-CG2 3.32Å; N117-T120 PolarHBondContact O-N 3.19Å; N117-T120 VanDerWaalsContact O-N 3.1Å
118	P	77.9	Confident	85.1	Confident	86 Å²	86	39.2 Å²	39.2	56%	0.558	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	129.5	-178.8	22.7	-31.3	0	0	0	110.6	H38	H38-P118 HydrophobicContact CB-CB 4.36Å
119	G	78.4	Confident	82.7	Confident	29 Å²	29	35.1 Å²	35.1	30%	0.299	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	2.6	-176.5	0	0	0	0	0	115.7	H38 R40 N117	H38-G119 PolarHBondContact O-N 3.48Å; R40-G119 PolarHBondContact NH1-O 3.33Å; N117-G119 PolarHBondContact O-N 2.59Å
120	T	86.3	Confident	80.2	Confident	9 Å²	9	41.7 Å²	41.7	6%	0.055	26%	0.261	C	S	.	.			trans	-60	152.5	166.1	-168.6	0	0	0	0	111.1	R113 F114 N117	R113-T120 HydrophobicContact CB-CG2 4.08Å; F114-T120 HydrophobicContact CD1-CG2 3.76Å; F114-T120 HydrophobicContact CE1-CG2 3.95Å; F114-T120 WeakPolarHBondContact CE1-O 3.4Å; N117-T120 WeakPolarHBondContact O-CB 3.47Å; N117-T120 VanDerWaalsContact O-CG2 3.26Å; N117-T120 WeakPolarHBondContact O-CG2 3.32Å; N117-T120 PolarHBondContact O-N 3.19Å; N117-T120 VanDerWaalsContact O-N 3.1Å
121	C	92.1	Very high	77.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.2	178.2	-167.6	0	0	0	0	110.4	R40 H62 V64 K65	R40-C121 HydrophobicContact CB-CB 4.12Å; R40-C121 WeakPolarHBondContact O-CA 3.26Å; H62-C121 WeakPolarHBondContact O-CB 3.43Å; V64-C121 VanDerWaalsContact CA-O 3.3Å; V64-C121 WeakPolarHBondContact CA-O 3.41Å; V64-C121 HydrophobicContact CG2-CB 3.89Å; K65-C121 PolarHBondContact N-O 3.26Å
122	V	93.7	Very high	75.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.1	174.5	178.2	0	0	0	0	108.5	R40 F41 L42 D66 V68 W106 L109 L110 F114	R40-V122 PolarHBondContact O-N 2.87Å; F41-V122 VanDerWaalsContact CA-O 3.31Å; F41-V122 WeakPolarHBondContact CA-O 3.48Å; F41-V122 HydrophobicContact CD1-CB 4.42Å; L42-V122 PolarHBondContact N-O 3.32Å; D66-V122 HydrophobicContact CB-CG1 4.21Å; V68-V122 HydrophobicContact CG2-CG1 4.3Å; W106-V122 HydrophobicContact CH2-CB 4.44Å; W106-V122 HydrophobicContact CH2-CG1 3.69Å; W106-V122 HydrophobicContact CZ3-CG1 3.53Å; L109-V122 HydrophobicContact CD2-CG1 4.23Å; L110-V122 HydrophobicContact CD2-CB 4.37Å; L110-V122 HydrophobicContact CD2-CG1 4.38Å; L110-V122 HydrophobicContact CD2-CG2 4.04Å; F114-V122 HydrophobicContact CE1-CG2 4.38Å; F114-V122 HydrophobicContact CZ-CG2 4.19Å
123	A	93.3	Very high	72.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	141.9	176.3	0	0	0	0	0	111.2	L42 L59 V64 D66 V67 V68	L42-A123 HydrophobicContact CB-CB 4.14Å; L42-A123 CarbonylContact O-C 3.58Å; L42-A123 WeakPolarHBondContact O-CA 3.18Å; L59-A123 HydrophobicContact CD2-CB 3.77Å; V64-A123 HydrophobicContact CB-CB 4.49Å; V64-A123 HydrophobicContact CG1-CB 3.62Å; V64-A123 HydrophobicContact CG2-CB 4.09Å; D66-A123 PolarHBondContact O-N 3.18Å; V67-A123 WeakPolarHBondContact CA-O 3.47Å; V67-A123 HydrophobicContact CG2-CB 4.19Å; V68-A123 PolarHBondContact N-O 2.86Å
124	V	91.4	Very high	70.1	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	129	174.9	-167.9	0	0	0	0	108.8	L42 I43 T44 V68 V70 W106 A152 L155	L42-V124 PolarHBondContact O-N 2.88Å; I43-V124 WeakPolarHBondContact CA-O 3.14Å; T44-V124 PolarHBondContact N-O 2.75Å; V68-V124 HydrophobicContact CB-CG1 4.27Å; V68-V124 HydrophobicContact CB-CG2 4.3Å; V68-V124 HydrophobicContact CG1-CG1 4.49Å; V68-V124 WeakPolarHBondContact O-CA 3.19Å; V70-V124 HydrophobicContact CG1-CG1 4.19Å; W106-V124 HydrophobicContact CH2-CG2 3.44Å; W106-V124 VanDerWaalsContact CH2-CG2 3.44Å; W106-V124 HydrophobicContact CZ2-CG2 4.24Å; W106-V124 HydrophobicContact CZ3-CG2 3.91Å; V124-A152 HydrophobicContact CB-CB 4.04Å; V124-A152 HydrophobicContact CG1-CB 3.52Å; V124-L155 HydrophobicContact CG1-CD1 4.33Å
125	H	86.9	Confident	67.7	Low	4 Å²	4	52.9 Å²	52.9	2%	0.019	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	152.4	172.3	75.4	81	0	0	0	111.6	T44 V68 R69 V70 Y75	T44-H125 WeakPolarHBondContact O-CB 3.39Å; V68-H125 PolarHBondContact O-N 3.25Å; R69-H125 WeakPolarHBondContact CD-NE2 3.31Å; R69-H125 VanDerWaalsContact CG-NE2 3.27Å; R69-H125 WeakPolarHBondContact CG-NE2 3.43Å; V70-H125 WeakPolarHBondContact CG2-O 3.23Å; V70-H125 PolarHBondContact N-O 3.02Å; V70-H125 VanDerWaalsContact N-O 3.13Å; Y75-H125 AromaticContact CE1-CE1 3.73Å; Y75-H125 AromaticContact CE1-NE2 3.81Å; Y75-H125 AromaticContact CZ-NE2 3.83Å; Y75-H125 PolarHBondContact OH-NE2 2.62Å
126	C	78	Confident	65.4	Low	8 Å²	8	55.1 Å²	55.1	5%	0.054	34%	0.343	C	S	.	.			trans	-112.6	-104.1	171.6	173.7	0	0	0	0	109.4	R46 V70 C71 R151	R46-C126 PolarHBondContact NE-O 2.99Å; V70-C126 HydrophobicContact CG2-CB 3.61Å; C71-C126 HydrophobicContact CB-CB 4.09Å; C71-C126 WeakPolarHBondContact CB-SG 3.4Å; C71-C126 WeakPolarHBondContact SG-CA 2.97Å; C71-C126 WeakPolarHBondContact SG-CB 3.5Å; C71-C126 CovalentContact SG-SG 2.03Å; C71-C126 PolarHBondContact SG-SG 3.45Å; C126-R151 HydrophobicContact CB-CB 4.24Å
127	V	65.7	Low	63	Low	38 Å²	38	54.9 Å²	54.9	23%	0.23	34%	0.335	C	S	.	.			trans	-131.5	127.6	178	-169	0	0	0	0	106.2	C71 G129	C71-V127 HydrophobicContact CB-CG2 3.45Å; C71-V127 VanDerWaalsContact CB-CG2 3.45Å; V127-G129 PolarHBondContact O-N 2.95Å
128	A	52	Low	61	Low	51 Å²	51	55.5 Å²	55.5	42%	0.421	35%	0.354	S	S	.	.	S	Bend	trans	-87.1	80.2	167.8	0	0	0	0	0	108.5	D45 R46	D45-A128 HydrophobicContact CB-CB 3.6Å; R46-A128 HydrophobicContact CB-CB 4.45Å
129	G	43.5	Very low	59.4	Low	47 Å²	47	59.3 Å²	59.3	49%	0.485	37%	0.366	S	S	.	.			trans	121	85.5	159.8	0	0	0	0	0	118.9	V127	V127-G129 PolarHBondContact O-N 2.95Å
130	L	41.2	Very low	57.5	Low	155 Å²	155	63.1 Å²	63.1	81%	0.812	38%	0.379	S	S	*	.	S	Bend	trans	-114.5	35.8	144.6	-87.8	165.9	0	0	0	110.7
131	G	37.7	Very low	55.5	Low	26 Å²	26	69 Å²	69	27%	0.268	42%	0.421	S	S	.	.			trans	-172.1	28.9	-172.5	0	0	0	0	0	115.2	S133	G131-S133 PolarHBondContact O-N 2.78Å; G131-S133 VanDerWaalsContact O-N 3.12Å
132	R	42.8	Very low	52.9	Low	152 Å²	152	75.2 Å²	75.2	57%	0.574	45%	0.453	S	S	*	.			trans	-80.3	66.9	151.6	-70.3	-164.7	-179.9	-156.6	0.6	107.3	P29 V134	P29-R132 VanDerWaalsContact CD-NH2 3.31Å; R132-V134 PolarHBondContact O-N 3.43Å
133	S	35.3	Very low	50.3	Low	73 Å²	73	80.9 Å²	80.9	51%	0.51	49%	0.49	S	S	.	.			trans	-68.1	96.5	148.1	-172.5	0	0	0	0	104.4	G131 V135	G131-S133 PolarHBondContact O-N 2.78Å; G131-S133 VanDerWaalsContact O-N 3.12Å; S133-V135 PolarHBondContact O-N 2.9Å
134	V	38	Very low	48.1	Very low	110 Å²	110	85.2 Å²	85.2	67%	0.667	51%	0.512	S	S	*	.			trans	-63.5	79.5	154.3	-160.3	0	0	0	0	103.8	R132 V136	R132-V134 PolarHBondContact O-N 3.43Å; V134-V136 HydrophobicContact CG1-CG1 3.85Å; V134-V136 PolarHBondContact O-N 2.86Å
135	V	35.9	Very low	45.5	Very low	61 Å²	61	92.4 Å²	92.4	37%	0.37	55%	0.55	S	S	.	.			trans	-66.4	93	151.8	-80.9	0	0	0	0	103.5	S133 N137 I144	S133-V135 PolarHBondContact O-N 2.9Å; V135-N137 PolarHBondContact O-N 2.94Å; V135-I144 HydrophobicContact CG2-CB 4.14Å; V135-I144 HydrophobicContact CG2-CD1 3.54Å; V135-I144 HydrophobicContact CG2-CG1 3.66Å; V135-I144 HydrophobicContact CG2-CG2 3.36Å
136	V	36.9	Very low	43.4	Very low	124 Å²	124	94.7 Å²	94.7	75%	0.752	57%	0.569	S	S	*	*			trans	-53.2	68.3	155.9	-73.4	0	0	0	0	108.3	V134	V134-V136 HydrophobicContact CG1-CG1 3.85Å; V134-V136 PolarHBondContact O-N 2.86Å
137	N	34.7	Very low	42	Very low	81 Å²	81	98.4 Å²	98.4	43%	0.433	59%	0.588	S	S	.	*			trans	-103.1	81.7	167.7	-96.6	-36.5	0	0	0	107	V135 M139 I144	V135-N137 PolarHBondContact O-N 2.94Å; N137-M139 PolarHBondContact O-N 2.98Å; N137-M139 VanDerWaalsContact O-N 3.07Å; N137-I144 HydrophobicContact CB-CD1 4.32Å
138	A	40.1	Very low	41.3	Very low	111 Å²	111	97.3 Å²	97.3	92%	0.917	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	12.4	157.8	0	0	0	0	0	112.6
139	M	44.2	Very low	41.5	Very low	167 Å²	167	99.4 Å²	99.4	82%	0.823	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.4	8.4	-169.5	-156.9	144.6	-172.5	0	0	117.5	N137	N137-M139 PolarHBondContact O-N 2.98Å; N137-M139 VanDerWaalsContact O-N 3.07Å
140	L	38.4	Very low	42.6	Very low	108 Å²	108	98.2 Å²	98.2	57%	0.565	57%	0.565	S	S	*	*			trans	-134	113	176.1	-67.6	172.3	0	0	0	111.9	L142	L140-L142 PolarHBondContact O-N 3.41Å
141	S	43.5	Very low	44.5	Very low	134 Å²	134	91.8 Å²	91.8	94%	0.937	53%	0.531	S	S	*	.			trans	-67.5	43.2	172.3	-54.1	0	0	0	0	113.4
142	L	38.4	Very low	46.7	Very low	129 Å²	129	90.7 Å²	90.7	68%	0.675	52%	0.519	S	S	*	.	S	Bend	trans	-112.4	134.4	169.5	-73.2	171.3	0	0	0	108.2	L140 I144	L140-L142 PolarHBondContact O-N 3.41Å; L142-I144 PolarHBondContact O-N 3.07Å
143	P	39.5	Very low	48.9	Very low	120 Å²	120	83.4 Å²	83.4	78%	0.779	49%	0.491	S	S	*	.			trans	-67	102.8	-177.5	28.8	-31	0	0	0	106.9	L145	P143-L145 PolarHBondContact O-N 3.39Å
144	I	45.4	Very low	51.5	Low	91 Å²	91	80 Å²	80	47%	0.467	47%	0.468	S	S	.	.			trans	-54.3	108.7	173.4	-69.3	153.8	0	0	0	106.1	V135 N137 L142 A146	V135-I144 HydrophobicContact CG2-CB 4.14Å; V135-I144 HydrophobicContact CG2-CD1 3.54Å; V135-I144 HydrophobicContact CG2-CG1 3.66Å; V135-I144 HydrophobicContact CG2-CG2 3.36Å; N137-I144 HydrophobicContact CB-CD1 4.32Å; L142-I144 PolarHBondContact O-N 3.07Å; I144-A146 PolarHBondContact O-N 3.25Å
145	L	38	Very low	54	Low	150 Å²	150	74.8 Å²	74.8	79%	0.785	44%	0.436	S	S	*	.			trans	-58.8	89.7	173.5	-174.3	72.5	0	0	0	106.2	P143 I147	P143-L145 PolarHBondContact O-N 3.39Å; L145-I147 PolarHBondContact O-N 2.9Å
146	A	42.8	Very low	56.7	Low	52 Å²	52	71.9 Å²	71.9	43%	0.43	42%	0.418	S	S	.	.			trans	-50.9	112.5	168.2	0	0	0	0	0	105.8	I144 S148	I144-A146 PolarHBondContact O-N 3.25Å; A146-S148 PolarHBondContact O-N 2.71Å
147	I	47.6	Very low	59.4	Low	86 Å²	86	66 Å²	66	44%	0.441	38%	0.382	S	S	.	.			trans	-66.1	86.1	-175.6	-62.6	172.9	0	0	0	106.3	L145 F149	L145-I147 PolarHBondContact O-N 2.9Å; I147-F149 HydrophobicContact CG2-CD2 3.36Å; I147-F149 HydrophobicContact CG2-CE2 3.13Å; I147-F149 HydrophobicContact CG2-CG 4.42Å; I147-F149 HydrophobicContact CG2-CZ 4.05Å; I147-F149 PolarHBondContact O-N 2.76Å; I147-F149 VanDerWaalsContact O-N 3.16Å
148	S	51	Low	62.2	Low	15 Å²	15	62.1 Å²	62.1	11%	0.105	36%	0.362	C	S	.	.			trans	-89.4	88.2	-175.2	-169.3	0	0	0	0	109.3	A146 C150 G180 A181 N183	A146-S148 PolarHBondContact O-N 2.71Å; S148-C150 PolarHBondContact O-N 2.87Å; S148-C150 WeakPolarHBondContact OG-CB 3.3Å; S148-G180 WeakPolarHBondContact CB-O 3.39Å; S148-G180 PolarHBondContact OG-O 2.93Å; S148-A181 VanDerWaalsContact OG-CA 3.27Å; S148-A181 WeakPolarHBondContact OG-CA 3.36Å; S148-A181 PolarHBondContact OG-O 3.25Å; S148-N183 PolarHBondContact O-ND2 3.03Å
149	F	56.2	Low	64.7	Low	95 Å²	95	56.9 Å²	56.9	42%	0.417	32%	0.318	S	S	.	.			trans	-81	25.3	160.2	-75.6	-58.9	0	0	0	111.5	D94 I147 R151	D94-F149 WeakPolarHBondContact OD1-CB 3.39Å; D94-F149 WeakPolarHBondContact OD1-CD1 3.22Å; D94-F149 WeakPolarHBondContact OD2-CB 3.26Å; D94-F149 WeakPolarHBondContact OD2-CD1 3.46Å; D94-F149 WeakPolarHBondContact OD2-CG 3.37Å; I147-F149 HydrophobicContact CG2-CD2 3.36Å; I147-F149 HydrophobicContact CG2-CE2 3.13Å; I147-F149 HydrophobicContact CG2-CG 4.42Å; I147-F149 HydrophobicContact CG2-CZ 4.05Å; I147-F149 PolarHBondContact O-N 2.76Å; I147-F149 VanDerWaalsContact O-N 3.16Å; F149-R151 PolarHBondContact O-N 3.42Å
150	C	67.7	Low	67.1	Low	22 Å²	22	48.9 Å²	48.9	15%	0.149	28%	0.279	C	S	.	.			trans	-79	113.4	179.8	-64.7	0	0	0	0	109.4	S148 P153 Q186	S148-C150 PolarHBondContact O-N 2.87Å; S148-C150 WeakPolarHBondContact OG-CB 3.3Å; C150-P153 VanDerWaalsContact CB-CD 3.49Å; C150-P153 HydrophobicContact CB-CG 3.73Å; C150-P153 WeakPolarHBondContact O-CD 3.42Å; C150-Q186 PolarHBondContact O-NE2 3.24Å; C150-Q186 VanDerWaalsContact O-NE2 3.15Å
151	R	80.4	Confident	69.7	Low	21 Å²	21	44.2 Å²	44.2	8%	0.079	25%	0.254	C	S	.	.	S	Bend	trans	-72.8	-34.6	172.4	-65.4	-179.7	-145.5	165.3	-3.1	112.2	V70 C71 F92 C126 F149 V154	V70-R151 HydrophobicContact CB-CB 4.29Å; V70-R151 HydrophobicContact CG2-CB 3.6Å; V70-R151 PolarHBondContact O-NH1 2.91Å; C71-R151 WeakPolarHBondContact SG-CD 3.41Å; C71-R151 PolarHBondContact SG-NE 2.92Å; C71-R151 VanDerWaalsContact SG-NE 3.39Å; C71-R151 PolarHBondContact SG-NH1 3.49Å; F92-R151 HydrophobicContact CD2-CG 4.46Å; F92-R151 HydrophobicContact CE1-CB 4.26Å; F92-R151 HydrophobicContact CE2-CB 3.85Å; F92-R151 HydrophobicContact CE2-CG 3.8Å; F92-R151 HydrophobicContact CZ-CB 3.54Å; F92-R151 HydrophobicContact CZ-CG 4.02Å; F92-R151 WeakPolarHBondContact O-CD 3.35Å; F92-R151 PolarHBondContact O-NE 3.48Å; F92-R151 PolarHBondContact O-NH1 3.25Å; C126-R151 HydrophobicContact CB-CB 4.24Å; F149-R151 PolarHBondContact O-N 3.42Å; R151-V154 PolarHBondContact O-N 3.48Å
152	A	84.3	Confident	72.1	Confident	2 Å²	2	37.9 Å²	37.9	2%	0.017	21%	0.21	C	C	.	.	H	α-helix	trans	-59.2	-45.7	-175.4	0	0	0	0	0	114.7	I43 V70 V124 V154 L155 V156	I43-A152 HydrophobicContact CG2-CB 4.17Å; V70-A152 HydrophobicContact CG2-CB 4.49Å; V124-A152 HydrophobicContact CB-CB 4.04Å; V124-A152 HydrophobicContact CG1-CB 3.52Å; A152-V154 PolarHBondContact O-N 3.41Å; A152-L155 PolarHBondContact O-N 3.3Å; A152-V156 PolarHBondContact O-N 3.27Å
153	P	88.8	Confident	74.6	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.6	-31.6	177.9	-26.5	35.8	0	0	0	114.2	I43 C150 V156 A157 I174 A181 I182	I43-P153 HydrophobicContact CD1-CB 4.38Å; I43-P153 HydrophobicContact CD1-CG 4.28Å; C150-P153 VanDerWaalsContact CB-CD 3.49Å; C150-P153 HydrophobicContact CB-CG 3.73Å; C150-P153 WeakPolarHBondContact O-CD 3.42Å; P153-V156 PolarHBondContact O-N 3.41Å; P153-A157 WeakPolarHBondContact O-CB 3.05Å; P153-A157 PolarHBondContact O-N 2.9Å; P153-I174 HydrophobicContact CB-CG2 4Å; P153-I174 WeakPolarHBondContact O-CD1 3.37Å; P153-A181 HydrophobicContact CB-CB 4.04Å; P153-A181 HydrophobicContact CG-CB 3.8Å; P153-I182 HydrophobicContact CB-CG1 3.95Å
154	V	89.5	Confident	77.1	Confident	2 Å²	2	27.5 Å²	27.5	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-66.9	-40.8	179.5	-179.2	0	0	0	0	111.5	P98 R151 A152 V156 A157 L158 Q186 Y189 L190	P98-V154 HydrophobicContact CG-CG1 4.2Å; R151-V154 PolarHBondContact O-N 3.48Å; A152-V154 PolarHBondContact O-N 3.41Å; V154-V156 VanDerWaalsContact C-N 3.33Å; V154-A157 PolarHBondContact O-N 3.15Å; V154-L158 HydrophobicContact CG1-CD1 4.32Å; V154-L158 VanDerWaalsContact O-CG 3.31Å; V154-L158 WeakPolarHBondContact O-CG 3.28Å; V154-L158 PolarHBondContact O-N 2.98Å; V154-Q186 HydrophobicContact CG2-CB 3.88Å; V154-Q186 HydrophobicContact CG2-CG 3.54Å; V154-Y189 HydrophobicContact CG1-CD1 4.47Å; V154-Y189 HydrophobicContact CG1-CE1 4.46Å; V154-L190 HydrophobicContact CG1-CD2 4.37Å
155	L	91.5	Very high	79.2	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.1	-41.2	176.2	-70.1	-175.3	0	0	0	111.4	V70 P98 V102 W106 V124 A152 L158 A159	V70-L155 HydrophobicContact CG1-CD1 3.51Å; P98-L155 HydrophobicContact CB-CD2 4.07Å; P98-L155 HydrophobicContact CG-CD2 4.13Å; V102-L155 HydrophobicContact CG1-CD2 4.3Å; W106-L155 HydrophobicContact CB-CD2 4.5Å; W106-L155 HydrophobicContact CD2-CB 4.42Å; W106-L155 HydrophobicContact CG-CD2 4.32Å; W106-L155 HydrophobicContact CZ2-CB 4.31Å; W106-L155 PolarHBondContact NE1-O 2.89Å; V124-L155 HydrophobicContact CG1-CD1 4.33Å; A152-L155 PolarHBondContact O-N 3.3Å; L155-L158 HydrophobicContact CD2-CD1 4.46Å; L155-L158 PolarHBondContact O-N 3.39Å; L155-A159 PolarHBondContact O-N 2.87Å
156	V	92.4	Very high	81.8	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65	-43.2	176	-176	0	0	0	0	110.6	I34 F41 I43 A152 P153 V154 L158 A159 L160 I174	I34-V156 HydrophobicContact CB-CG1 4.4Å; I34-V156 HydrophobicContact CD1-CG1 3.76Å; I34-V156 HydrophobicContact CG2-CG1 4.26Å; F41-V156 HydrophobicContact CB-CG1 3.97Å; F41-V156 HydrophobicContact CB-CG2 4.1Å; F41-V156 HydrophobicContact CD2-CG1 3.76Å; F41-V156 HydrophobicContact CE2-CG1 4.41Å; F41-V156 HydrophobicContact CG-CG1 3.86Å; F41-V156 HydrophobicContact CG-CG2 4.3Å; I43-V156 HydrophobicContact CD1-CB 4.42Å; I43-V156 HydrophobicContact CD1-CG2 3.99Å; I43-V156 HydrophobicContact CG1-CG2 3.97Å; A152-V156 PolarHBondContact O-N 3.27Å; P153-V156 PolarHBondContact O-N 3.41Å; V154-V156 VanDerWaalsContact C-N 3.33Å; V156-L158 VanDerWaalsContact C-N 3.33Å; V156-L158 PolarHBondContact O-N 3.24Å; V156-A159 WeakPolarHBondContact O-CB 3.36Å; V156-A159 PolarHBondContact O-N 3.21Å; V156-A159 VanDerWaalsContact O-N 3.16Å; V156-L160 HydrophobicContact CG1-CD1 4.34Å; V156-L160 HydrophobicContact CG1-CG 4.47Å; V156-L160 WeakPolarHBondContact O-CG 3.44Å; V156-L160 PolarHBondContact O-N 2.98Å; V156-I174 HydrophobicContact CB-CD1 4.48Å
157	A	92.9	Very high	84.2	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.4	-44.7	175.7	0	0	0	0	0	111.8	P153 V154 A159 L160 I161 I174 I182 L190	P153-A157 WeakPolarHBondContact O-CB 3.05Å; P153-A157 PolarHBondContact O-N 2.9Å; V154-A157 PolarHBondContact O-N 3.15Å; A157-A159 VanDerWaalsContact C-N 3.33Å; A157-A159 PolarHBondContact O-N 3.1Å; A157-L160 PolarHBondContact O-N 2.96Å; A157-I161 VanDerWaalsContact O-CG1 3.23Å; A157-I161 WeakPolarHBondContact O-CG1 3.4Å; A157-I161 PolarHBondContact O-N 3.12Å; A157-I174 HydrophobicContact CB-CD1 3.56Å; A157-I182 HydrophobicContact CB-CD1 4.44Å; A157-L190 HydrophobicContact CB-CD1 3.72Å; A157-L190 HydrophobicContact CB-CD2 3.8Å; A157-L190 HydrophobicContact CB-CG 4.44Å
158	L	93.3	Very high	86.4	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.9	-42.8	176	-73.3	171.5	0	0	0	111.9	P98 R103 M107 V154 L155 V156 L160 I161 E162 Y189 L190 Y193	P98-L158 HydrophobicContact CG-CD1 3.63Å; R103-L158 HydrophobicContact CG-CD1 4.4Å; M107-L158 HydrophobicContact CE-CB 3.93Å; V154-L158 HydrophobicContact CG1-CD1 4.32Å; V154-L158 VanDerWaalsContact O-CG 3.31Å; V154-L158 WeakPolarHBondContact O-CG 3.28Å; V154-L158 PolarHBondContact O-N 2.98Å; L155-L158 HydrophobicContact CD2-CD1 4.46Å; L155-L158 PolarHBondContact O-N 3.39Å; V156-L158 VanDerWaalsContact C-N 3.33Å; V156-L158 PolarHBondContact O-N 3.24Å; L158-L160 PolarHBondContact O-N 3.41Å; L158-I161 PolarHBondContact O-N 3.1Å; L158-E162 WeakPolarHBondContact O-CB 3.36Å; L158-E162 WeakPolarHBondContact O-CG 3.41Å; L158-E162 PolarHBondContact O-N 2.03Å; L158-Y189 HydrophobicContact CD1-CE1 4.23Å; L158-Y189 HydrophobicContact CD2-CE1 3.99Å; L158-Y189 HydrophobicContact CG-CE1 4.49Å; L158-L190 HydrophobicContact CD2-CD2 3.97Å; L158-L190 HydrophobicContact CG-CD2 4.08Å; L158-Y193 HydrophobicContact CD2-CD1 3.74Å; L158-Y193 HydrophobicContact CD2-CD2 3.5Å; L158-Y193 HydrophobicContact CD2-CE1 3.79Å; L158-Y193 HydrophobicContact CD2-CE2 3.55Å; L158-Y193 HydrophobicContact CD2-CG 3.6Å
159	A	93.5	Very high	88.4	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.7	-41.8	176.9	0	0	0	0	0	112.4	F41 W106 L110 L155 V156 A157 E162 A163 L199	F41-A159 HydrophobicContact CE1-CB 4.13Å; F41-A159 HydrophobicContact CE2-CB 4.21Å; F41-A159 HydrophobicContact CZ-CB 3.57Å; W106-A159 HydrophobicContact CZ2-CB 4.42Å; L110-A159 HydrophobicContact CD1-CB 3.39Å; L155-A159 PolarHBondContact O-N 2.87Å; V156-A159 WeakPolarHBondContact O-CB 3.36Å; V156-A159 PolarHBondContact O-N 3.21Å; V156-A159 VanDerWaalsContact O-N 3.16Å; A157-A159 VanDerWaalsContact C-N 3.33Å; A157-A159 PolarHBondContact O-N 3.1Å; A159-E162 PolarHBondContact O-N 3.03Å; A159-A163 WeakPolarHBondContact O-CB 3.41Å; A159-A163 PolarHBondContact O-N 3.41Å; A159-L199 HydrophobicContact CB-CD1 4.23Å
160	L	93.3	Very high	90.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.7	-44	176.4	-66.1	173.2	0	0	0	111.7	I34 F36 V156 A157 L158 A163 G164 L165 A170 L173 I174	I34-L160 HydrophobicContact CG2-CD1 4.21Å; I34-L160 HydrophobicContact CG2-CD2 4.38Å; F36-L160 HydrophobicContact CB-CD2 3.34Å; F36-L160 HydrophobicContact CD1-CD2 3.97Å; F36-L160 HydrophobicContact CD2-CD2 4.47Å; F36-L160 HydrophobicContact CG-CD2 3.69Å; V156-L160 HydrophobicContact CG1-CD1 4.34Å; V156-L160 HydrophobicContact CG1-CG 4.47Å; V156-L160 WeakPolarHBondContact O-CG 3.44Å; V156-L160 PolarHBondContact O-N 2.98Å; A157-L160 PolarHBondContact O-N 2.96Å; L158-L160 PolarHBondContact O-N 3.41Å; L160-A163 PolarHBondContact O-N 2.89Å; L160-G164 PolarHBondContact O-N 3.24Å; L160-L165 HydrophobicContact CB-CB 4.35Å; L160-L165 HydrophobicContact CB-CD2 4.15Å; L160-L165 HydrophobicContact CD1-CD2 4.47Å; L160-L165 HydrophobicContact CD2-CD2 4.48Å; L160-L165 VanDerWaalsContact O-CB 3.24Å; L160-L165 WeakPolarHBondContact O-CB 3.46Å; L160-L165 PolarHBondContact O-N 2.94Å; L160-A170 HydrophobicContact CB-CB 3.82Å; L160-A170 HydrophobicContact CD1-CB 4.03Å; L160-L173 HydrophobicContact CD1-CD2 4.04Å; L160-L173 HydrophobicContact CD2-CD2 4.21Å; L160-I174 HydrophobicContact CD1-CD1 4.3Å; L160-I174 HydrophobicContact CD1-CG1 4.26Å
161	I	93.8	Very high	91.2	Very high	10 Å²	10	23.2 Å²	23.2	5%	0.051	12%	0.118	C	C	.	.	H	α-helix	trans	-64.8	-41.5	177.8	-64.9	164.4	0	0	0	110.6	A157 L158 A163 G164 L165 F167 A170 L190 Y193 P195	A157-I161 VanDerWaalsContact O-CG1 3.23Å; A157-I161 WeakPolarHBondContact O-CG1 3.4Å; A157-I161 PolarHBondContact O-N 3.12Å; L158-I161 PolarHBondContact O-N 3.1Å; I161-A163 VanDerWaalsContact C-N 3.28Å; I161-A163 PolarHBondContact O-N 2.69Å; I161-G164 WeakPolarHBondContact O-CA 3.46Å; I161-G164 PolarHBondContact O-N 3.26Å; I161-L165 WeakPolarHBondContact CA-O 3.06Å; I161-F167 HydrophobicContact CD1-CB 3.79Å; I161-F167 HydrophobicContact CG1-CB 4.27Å; I161-A170 HydrophobicContact CG1-CB 4.02Å; I161-L190 HydrophobicContact CD1-CB 4.35Å; I161-L190 HydrophobicContact CD1-CD2 3.93Å; I161-Y193 HydrophobicContact CG2-CD1 3.94Å; I161-Y193 HydrophobicContact CG2-CE1 4.39Å; I161-P195 HydrophobicContact CG2-CB 4.04Å; I161-P195 HydrophobicContact CG2-CG 4.04Å
162	E	93	Very high	91.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.2	-29.8	174.7	-78.1	-60	165	0	0	113.6	M107 L158 A159 G164 Y193 P195 T196 G197 L199 K200	M107-E162 HydrophobicContact CE-CB 4.36Å; M107-E162 HydrophobicContact CE-CG 3.45Å; M107-E162 VanDerWaalsContact CE-CG 3.45Å; M107-E162 HydrophobicContact SD-CB 4.3Å; M107-E162 HydrophobicContact SD-CG 3.79Å; L158-E162 WeakPolarHBondContact O-CB 3.36Å; L158-E162 WeakPolarHBondContact O-CG 3.41Å; L158-E162 PolarHBondContact O-N 2.03Å; A159-E162 PolarHBondContact O-N 3.03Å; E162-G164 PolarHBondContact O-N 3.19Å; E162-Y193 HydrophobicContact CG-CE1 4.29Å; E162-Y193 VanDerWaalsContact OE1-CE1 3.28Å; E162-Y193 WeakPolarHBondContact OE1-CE1 3.48Å; E162-Y193 PolarHBondContact OE1-OH 2.91Å; E162-P195 VanDerWaalsContact OE1-CA 3.28Å; E162-P195 WeakPolarHBondContact OE1-CA 3.2Å; E162-T196 PolarHBondContact OE1-N 3.5Å; E162-T196 PolarHBondContact OE1-OG1 3.3Å; E162-T196 PolarHBondContact OE2-N 3.36Å; E162-T196 PolarHBondContact OE2-OG1 3.44Å; E162-G197 CarbonylContact O-C 3.49Å; E162-G197 WeakPolarHBondContact O-CA 3.25Å; E162-G197 PolarHBondContact OE2-N 3.49Å; E162-L199 HydrophobicContact CB-CB 4.12Å; E162-L199 HydrophobicContact CB-CD1 3.95Å; E162-L199 HydrophobicContact CB-CG 4.05Å; E162-K200 PolarHBondContact O-N 2.62Å
163	A	91.7	Very high	91.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-1.1	171.4	0	0	0	0	0	113.3	F36 M39 A159 L160 I161 L199 R203	F36-A163 HydrophobicContact CD1-CB 3.92Å; F36-A163 HydrophobicContact CE1-CB 3.72Å; M39-A163 HydrophobicContact CE-CB 3.24Å; M39-A163 HydrophobicContact SD-CB 4.26Å; A159-A163 WeakPolarHBondContact O-CB 3.41Å; A159-A163 PolarHBondContact O-N 3.41Å; L160-A163 PolarHBondContact O-N 2.89Å; I161-A163 VanDerWaalsContact C-N 3.28Å; I161-A163 PolarHBondContact O-N 2.69Å; A163-L199 HydrophobicContact CB-CB 4.12Å; A163-R203 WeakPolarHBondContact O-CD 3.43Å
164	G	91	Very high	91.9	Very high	32 Å²	32	27.7 Å²	27.7	33%	0.33	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	17.3	174	0	0	0	0	0	114.7	L160 I161 E162	L160-G164 PolarHBondContact O-N 3.24Å; I161-G164 WeakPolarHBondContact O-CA 3.46Å; I161-G164 PolarHBondContact O-N 3.26Å; E162-G164 PolarHBondContact O-N 3.19Å
165	L	91.4	Very high	91.7	Very high	31 Å²	31	31.9 Å²	31.9	16%	0.162	16%	0.158	C	C	.	.			trans	-78.6	144.8	168.4	-161.3	59	0	0	0	109.6	F36 L160 I161 D169 A170 L173	F36-L165 HydrophobicContact CD2-CD2 4.2Å; F36-L165 HydrophobicContact CE1-CB 4.27Å; F36-L165 HydrophobicContact CE2-CB 4.37Å; F36-L165 HydrophobicContact CE2-CD1 3.68Å; F36-L165 HydrophobicContact CE2-CD2 4.01Å; F36-L165 HydrophobicContact CE2-CG 4.24Å; F36-L165 HydrophobicContact CZ-CB 3.93Å; F36-L165 HydrophobicContact CZ-CD1 3.86Å; F36-L165 HydrophobicContact CZ-CD2 4.38Å; F36-L165 HydrophobicContact CZ-CG 4.27Å; L160-L165 HydrophobicContact CB-CB 4.35Å; L160-L165 HydrophobicContact CB-CD2 4.15Å; L160-L165 HydrophobicContact CD1-CD2 4.47Å; L160-L165 HydrophobicContact CD2-CD2 4.48Å; L160-L165 VanDerWaalsContact O-CB 3.24Å; L160-L165 WeakPolarHBondContact O-CB 3.46Å; L160-L165 PolarHBondContact O-N 2.94Å; I161-L165 WeakPolarHBondContact CA-O 3.06Å; L165-D169 HydrophobicContact CD1-CB 3.75Å; L165-D169 HydrophobicContact CD2-CB 4.2Å; L165-D169 HydrophobicContact CG-CB 3.73Å; L165-A170 HydrophobicContact CD2-CB 4.02Å; L165-A170 HydrophobicContact CG-CB 4.39Å; L165-L173 HydrophobicContact CD2-CD2 4.37Å
166	K	92.7	Very high	91.4	Very high	140 Å²	140	38.9 Å²	38.9	61%	0.609	19%	0.191	S	C	*	.			trans	-67.8	153.1	173.2	-65.7	-178.5	178.4	179.1	0	109.6	E168 D169 A170	K166-E168 VanDerWaalsContact C-N 3.25Å; K166-E168 PolarHBondContact O-N 3.33Å; K166-D169 HydrophobicContact CB-CB 4.48Å; K166-D169 PolarHBondContact O-N 3.22Å; K166-A170 WeakPolarHBondContact O-CB 3.2Å; K166-A170 PolarHBondContact O-N 3.42Å
167	F	92.8	Very high	90.9	Very high	60 Å²	60	42.7 Å²	42.7	26%	0.263	21%	0.211	S	C	.	.	H	α-helix	trans	-61.1	-37.2	-178.8	84.2	-89.3	0	0	0	111.9	I161 A170 V171 E191	I161-F167 HydrophobicContact CD1-CB 3.79Å; I161-F167 HydrophobicContact CG1-CB 4.27Å; F167-A170 PolarHBondContact O-N 3.39Å; F167-V171 WeakPolarHBondContact O-CB 3.28Å; F167-V171 WeakPolarHBondContact O-CG2 3.46Å; F167-V171 PolarHBondContact O-N 3.03Å; F167-E191 HydrophobicContact CD2-CB 4.34Å; F167-E191 HydrophobicContact CE1-CG 4.23Å; F167-E191 HydrophobicContact CE2-CB 4.09Å; F167-E191 HydrophobicContact CE2-CG 4.35Å; F167-E191 HydrophobicContact CZ-CB 4.21Å; F167-E191 HydrophobicContact CZ-CG 3.97Å
168	E	92.9	Very high	90.2	Very high	105 Å²	105	45 Å²	45	49%	0.491	22%	0.22	S	C	.	.	H	α-helix	trans	-58.8	-56.5	176.3	-62.7	161.7	165.1	0	0	110.4	K166 A170 V171 D172	K166-E168 VanDerWaalsContact C-N 3.25Å; K166-E168 PolarHBondContact O-N 3.33Å; E168-A170 VanDerWaalsContact C-N 3.29Å; E168-A170 PolarHBondContact O-N 3.39Å; E168-V171 PolarHBondContact O-N 2.94Å; E168-D172 WeakPolarHBondContact O-CB 3.44Å; E168-D172 PolarHBondContact O-N 2.81Å
169	D	92.7	Very high	89.1	Confident	80 Å²	80	56 Å²	56	43%	0.428	26%	0.261	S	S	.	.	H	α-helix	trans	-59.6	-38.5	178.4	-63.2	-38.1	0	0	0	112.2	L165 K166 D172 L173	L165-D169 HydrophobicContact CD1-CB 3.75Å; L165-D169 HydrophobicContact CD2-CB 4.2Å; L165-D169 HydrophobicContact CG-CB 3.73Å; K166-D169 HydrophobicContact CB-CB 4.48Å; K166-D169 PolarHBondContact O-N 3.22Å; D169-D172 PolarHBondContact O-N 2.93Å; D169-L173 WeakPolarHBondContact O-CB 3.42Å; D169-L173 PolarHBondContact O-N 3Å
170	A	92.6	Very high	88	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66	-44.5	177.6	0	0	0	0	0	111.8	L160 I161 L165 K166 F167 E168 D172 L173 I174	L160-A170 HydrophobicContact CB-CB 3.82Å; L160-A170 HydrophobicContact CD1-CB 4.03Å; I161-A170 HydrophobicContact CG1-CB 4.02Å; L165-A170 HydrophobicContact CD2-CB 4.02Å; L165-A170 HydrophobicContact CG-CB 4.39Å; K166-A170 WeakPolarHBondContact O-CB 3.2Å; K166-A170 PolarHBondContact O-N 3.42Å; F167-A170 PolarHBondContact O-N 3.39Å; E168-A170 VanDerWaalsContact C-N 3.29Å; E168-A170 PolarHBondContact O-N 3.39Å; A170-D172 VanDerWaalsContact C-N 3.34Å; A170-L173 PolarHBondContact O-N 3.47Å; A170-I174 WeakPolarHBondContact O-CD1 3.37Å; A170-I174 VanDerWaalsContact O-CG1 3.31Å; A170-I174 WeakPolarHBondContact O-CG1 3.23Å; A170-I174 PolarHBondContact O-N 2.89Å
171	V	90.4	Very high	87.1	Confident	5 Å²	5	57.6 Å²	57.6	3%	0.03	28%	0.278	C	S	.	.	H	α-helix	trans	-64.1	-42.3	176	167.6	0	0	0	0	110.4	F167 E168 I174 R175 I182 L187 L190	F167-V171 WeakPolarHBondContact O-CB 3.28Å; F167-V171 WeakPolarHBondContact O-CG2 3.46Å; F167-V171 PolarHBondContact O-N 3.03Å; E168-V171 PolarHBondContact O-N 2.94Å; V171-I174 PolarHBondContact O-N 2.83Å; V171-R175 HydrophobicContact CG1-CG 4.27Å; V171-R175 WeakPolarHBondContact O-CB 3.44Å; V171-R175 VanDerWaalsContact O-CG 3.28Å; V171-R175 WeakPolarHBondContact O-CG 3.18Å; V171-R175 PolarHBondContact O-N 3.18Å; V171-I182 HydrophobicContact CB-CD1 4.41Å; V171-I182 HydrophobicContact CG1-CD1 4.33Å; V171-I182 HydrophobicContact CG2-CD1 3.94Å; V171-L187 HydrophobicContact CB-CD2 4.4Å; V171-L187 HydrophobicContact CG1-CD2 3.71Å; V171-L187 HydrophobicContact CG2-CD2 3.78Å; V171-L190 HydrophobicContact CG2-CD1 4.03Å
172	D	90.7	Very high	86.5	Confident	78 Å²	78	57.4 Å²	57.4	42%	0.417	28%	0.277	S	S	.	.	H	α-helix	trans	-65.5	-42.8	179	-75.3	-16.3	0	0	0	111.9	E168 D169 A170 I174 R175 Q176	E168-D172 WeakPolarHBondContact O-CB 3.44Å; E168-D172 PolarHBondContact O-N 2.81Å; D169-D172 PolarHBondContact O-N 2.93Å; A170-D172 VanDerWaalsContact C-N 3.34Å; D172-I174 VanDerWaalsContact C-N 3.28Å; D172-I174 PolarHBondContact O-N 3.29Å; D172-R175 PolarHBondContact O-N 2.97Å; D172-R175 VanDerWaalsContact O-N 3.15Å; D172-Q176 VanDerWaalsContact O-CG 3.25Å; D172-Q176 WeakPolarHBondContact O-CG 3.48Å; D172-Q176 PolarHBondContact O-N 2.85Å
173	L	90	Very high	85.9	Confident	38 Å²	38	59.1 Å²	59.1	20%	0.199	29%	0.286	C	S	.	.	H	α-helix	trans	-59.2	-40.1	175.6	-175.1	63	0	0	0	112.1	I34 L160 L165 D169 A170 N177	I34-L173 HydrophobicContact CG2-CD2 3.78Å; I34-L173 HydrophobicContact CG2-CG 4.07Å; L160-L173 HydrophobicContact CD1-CD2 4.04Å; L160-L173 HydrophobicContact CD2-CD2 4.21Å; L165-L173 HydrophobicContact CD2-CD2 4.37Å; D169-L173 WeakPolarHBondContact O-CB 3.42Å; D169-L173 PolarHBondContact O-N 3Å; A170-L173 PolarHBondContact O-N 3.47Å; L173-N177 PolarHBondContact O-ND2 3.26Å
174	I	87.8	Confident	85.4	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-68.6	-45.4	175.4	-67.5	167.3	0	0	0	110.5	I34 P153 V156 A157 L160 A170 V171 D172 Q176 N177 R178 A181 I182	I34-I174 HydrophobicContact CD1-CB 4.43Å; I34-I174 HydrophobicContact CD1-CG1 3.78Å; P153-I174 HydrophobicContact CB-CG2 4Å; P153-I174 WeakPolarHBondContact O-CD1 3.37Å; V156-I174 HydrophobicContact CB-CD1 4.48Å; A157-I174 HydrophobicContact CB-CD1 3.56Å; L160-I174 HydrophobicContact CD1-CD1 4.3Å; L160-I174 HydrophobicContact CD1-CG1 4.26Å; A170-I174 WeakPolarHBondContact O-CD1 3.37Å; A170-I174 VanDerWaalsContact O-CG1 3.31Å; A170-I174 WeakPolarHBondContact O-CG1 3.23Å; A170-I174 PolarHBondContact O-N 2.89Å; V171-I174 PolarHBondContact O-N 2.83Å; D172-I174 VanDerWaalsContact C-N 3.28Å; D172-I174 PolarHBondContact O-N 3.29Å; I174-Q176 VanDerWaalsContact C-N 3.29Å; I174-Q176 PolarHBondContact O-N 3.01Å; I174-N177 PolarHBondContact O-N 3.43Å; I174-N177 VanDerWaalsContact O-N 3.14Å; I174-R178 PolarHBondContact O-N 3.43Å; I174-A181 HydrophobicContact CG2-CB 3.88Å; I174-I182 HydrophobicContact CB-CD1 4.4Å; I174-I182 HydrophobicContact CD1-CD1 3.92Å; I174-I182 HydrophobicContact CG2-CD1 4.18Å; I174-I182 HydrophobicContact CG2-CG1 4.41Å
175	R	86.3	Confident	85.1	Confident	91 Å²	91	72.3 Å²	72.3	34%	0.343	34%	0.336	S	S	.	.	H	α-helix	trans	-67.1	-28.4	-177.8	-77	177.3	172.6	176	-4.2	113.4	V171 D172 N177 R178 R179 L187	V171-R175 HydrophobicContact CG1-CG 4.27Å; V171-R175 WeakPolarHBondContact O-CB 3.44Å; V171-R175 VanDerWaalsContact O-CG 3.28Å; V171-R175 WeakPolarHBondContact O-CG 3.18Å; V171-R175 PolarHBondContact O-N 3.18Å; D172-R175 PolarHBondContact O-N 2.97Å; D172-R175 VanDerWaalsContact O-N 3.15Å; R175-N177 VanDerWaalsContact C-N 3.3Å; R175-R178 CarbonylContact O-C 3.53Å; R175-R179 PolarHBondContact O-N 3.2Å; R175-L187 VanDerWaalsContact NH2-CD1 3.32Å
176	Q	84.8	Confident	84.8	Confident	147 Å²	147	71 Å²	71	69%	0.687	33%	0.329	S	S	*	.	H	α-helix	trans	-60.7	-40.6	171.6	-76	170.1	20.3	0	0	111.5	D172 I174	D172-Q176 VanDerWaalsContact O-CG 3.25Å; D172-Q176 WeakPolarHBondContact O-CG 3.48Å; D172-Q176 PolarHBondContact O-N 2.85Å; I174-Q176 VanDerWaalsContact C-N 3.29Å; I174-Q176 PolarHBondContact O-N 3.01Å
177	N	81	Confident	84.6	Confident	79 Å²	79	65.6 Å²	65.6	42%	0.422	31%	0.307	S	S	.	.	H	α-helix	trans	-89.6	-28.3	-179	-68.8	-75	0	0	0	113.1	A32 E33 I34 L173 I174 R175	A32-N177 HydrophobicContact CB-CB 3.94Å; E33-N177 PolarHBondContact O-OD1 3.02Å; I34-N177 HydrophobicContact CG1-CB 4.5Å; L173-N177 PolarHBondContact O-ND2 3.26Å; I174-N177 PolarHBondContact O-N 3.43Å; I174-N177 VanDerWaalsContact O-N 3.14Å; R175-N177 VanDerWaalsContact C-N 3.3Å
178	R	77.8	Confident	84.4	Confident	50 Å²	50	69 Å²	69	19%	0.189	32%	0.319	C	S	.	.	S	Bend	trans	-144.7	93.4	180	-162.5	172.6	-169	160.2	9.9	111	A32 D45 I174 R175 G180 A181	A32-R178 HydrophobicContact CB-CB 4.13Å; D45-R178 IonicContact OD1-CZ 3.19Å; D45-R178 IonicContact OD1-NH1 3.91Å; D45-R178 IonicContact OD1-NH2 2.68Å; D45-R178 PolarHBondContact OD1-NH2 3.26Å; I174-R178 PolarHBondContact O-N 3.43Å; R175-R178 CarbonylContact O-C 3.53Å; R178-G180 PolarHBondContact O-N 2.62Å; R178-A181 HydrophobicContact CB-CB 4.02Å; R178-A181 HydrophobicContact CG-CB 4.07Å; R178-A181 WeakPolarHBondContact O-CB 3.45Å; R178-A181 PolarHBondContact O-N 2.92Å
179	R	71.3	Confident	84.3	Confident	229 Å²	229	65.7 Å²	65.7	86%	0.864	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	137.9	178.4	-67.4	-174	-178.4	-171.5	0.7	111	R175 A181	R175-R179 PolarHBondContact O-N 3.2Å; R179-A181 PolarHBondContact O-N 3.48Å
180	G	70.8	Confident	84.2	Confident	32 Å²	32	62 Å²	62	33%	0.33	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	-0.2	178.6	0	0	0	0	0	115.4	S148 R178 I182	S148-G180 WeakPolarHBondContact CB-O 3.39Å; S148-G180 PolarHBondContact OG-O 2.93Å; R178-G180 PolarHBondContact O-N 2.62Å; G180-I182 PolarHBondContact O-N 3.29Å
181	A	74.5	Confident	84.2	Confident	2 Å²	2	67.2 Å²	67.2	2%	0.017	31%	0.307	C	S	.	.			trans	-57	-22.2	-169.8	0	0	0	0	0	116.9	S148 P153 I174 R178 R179	S148-A181 VanDerWaalsContact OG-CA 3.27Å; S148-A181 WeakPolarHBondContact OG-CA 3.36Å; S148-A181 PolarHBondContact OG-O 3.25Å; P153-A181 HydrophobicContact CB-CB 4.04Å; P153-A181 HydrophobicContact CG-CB 3.8Å; I174-A181 HydrophobicContact CG2-CB 3.88Å; R178-A181 HydrophobicContact CB-CB 4.02Å; R178-A181 HydrophobicContact CG-CB 4.07Å; R178-A181 WeakPolarHBondContact O-CB 3.45Å; R178-A181 PolarHBondContact O-N 2.92Å; R179-A181 PolarHBondContact O-N 3.48Å
182	I	80	Confident	84.3	Confident	7 Å²	7	72.9 Å²	72.9	4%	0.036	33%	0.332	C	S	.	.	S	Bend	trans	-124	124.8	-174.3	-56.3	177.6	0	0	0	109.6	P153 A157 V171 I174 G180 Q186 L187 L190	P153-I182 HydrophobicContact CB-CG1 3.95Å; A157-I182 HydrophobicContact CB-CD1 4.44Å; V171-I182 HydrophobicContact CB-CD1 4.41Å; V171-I182 HydrophobicContact CG1-CD1 4.33Å; V171-I182 HydrophobicContact CG2-CD1 3.94Å; I174-I182 HydrophobicContact CB-CD1 4.4Å; I174-I182 HydrophobicContact CD1-CD1 3.92Å; I174-I182 HydrophobicContact CG2-CD1 4.18Å; I174-I182 HydrophobicContact CG2-CG1 4.41Å; G180-I182 PolarHBondContact O-N 3.29Å; I182-Q186 HydrophobicContact CG2-CB 3.63Å; I182-L187 HydrophobicContact CB-CD2 4.37Å; I182-L187 HydrophobicContact CG2-CD2 3.75Å; I182-L187 HydrophobicContact CG2-CG 3.94Å; I182-L190 HydrophobicContact CD1-CD1 4.18Å; I182-L190 HydrophobicContact CG2-CD1 4.16Å
183	N	80	Confident	84.4	Confident	35 Å²	35	70.5 Å²	70.5	19%	0.187	32%	0.317	C	S	.	.			trans	-85.6	169.2	-179.7	71.6	45.4	0	0	0	113	S148 K185 Q186 L187	S148-N183 PolarHBondContact O-ND2 3.03Å; N183-K185 PolarHBondContact O-N 2.89Å; N183-K185 PolarHBondContact OD1-N 2.67Å; N183-K185 VanDerWaalsContact OD1-N 3.11Å; N183-Q186 VanDerWaalsContact ND2-CD 3.31Å; N183-Q186 PolarHBondContact ND2-OE1 3.45Å; N183-Q186 WeakPolarHBondContact O-CB 3.31Å; N183-Q186 PolarHBondContact O-N 3.02Å; N183-Q186 WeakPolarHBondContact OD1-CB 3.48Å; N183-Q186 VanDerWaalsContact OD1-CG 3.26Å; N183-Q186 WeakPolarHBondContact OD1-CG 3.28Å; N183-Q186 PolarHBondContact OD1-N 2.94Å; N183-L187 WeakPolarHBondContact O-CG 3.27Å; N183-L187 PolarHBondContact O-N 3.14Å
184	Q	82.6	Confident	84.5	Confident	150 Å²	150	77.4 Å²	77.4	70%	0.701	35%	0.345	S	S	*	.	H	α-helix	trans	-60.3	-39.8	-175.7	-166.6	65.7	23	0	0	114.1	Q186 L187 Y188	Q184-Q186 VanDerWaalsContact C-N 3.32Å; Q184-Q186 PolarHBondContact O-N 2.87Å; Q184-L187 PolarHBondContact O-N 2.96Å; Q184-Y188 PolarHBondContact O-N 2.92Å
185	K	83.2	Confident	84.6	Confident	159 Å²	159	80.5 Å²	80.5	69%	0.691	37%	0.365	S	S	*	.	H	α-helix	trans	-64.4	-39.9	178.4	-71	179.5	177.3	178.2	0	111.1	N183 Y189	N183-K185 PolarHBondContact O-N 2.89Å; N183-K185 PolarHBondContact OD1-N 2.67Å; N183-K185 VanDerWaalsContact OD1-N 3.11Å; K185-Y189 PolarHBondContact O-N 3.41Å; K185-Y189 VanDerWaalsContact O-N 3.13Å
186	Q	85.7	Confident	84.7	Confident	3 Å²	3	80.7 Å²	80.7	1%	0.014	38%	0.377	C	S	.	.	H	α-helix	trans	-68.8	-40.6	176.3	-67.7	169.7	-24	0	0	111.5	C150 V154 I182 N183 Q184 Y188 Y189 L190	C150-Q186 PolarHBondContact O-NE2 3.24Å; C150-Q186 VanDerWaalsContact O-NE2 3.15Å; V154-Q186 HydrophobicContact CG2-CB 3.88Å; V154-Q186 HydrophobicContact CG2-CG 3.54Å; I182-Q186 HydrophobicContact CG2-CB 3.63Å; N183-Q186 VanDerWaalsContact ND2-CD 3.31Å; N183-Q186 PolarHBondContact ND2-OE1 3.45Å; N183-Q186 WeakPolarHBondContact O-CB 3.31Å; N183-Q186 PolarHBondContact O-N 3.02Å; N183-Q186 WeakPolarHBondContact OD1-CB 3.48Å; N183-Q186 VanDerWaalsContact OD1-CG 3.26Å; N183-Q186 WeakPolarHBondContact OD1-CG 3.28Å; N183-Q186 PolarHBondContact OD1-N 2.94Å; Q184-Q186 VanDerWaalsContact C-N 3.32Å; Q184-Q186 PolarHBondContact O-N 2.87Å; Q186-Y188 PolarHBondContact O-N 3.44Å; Q186-Y189 WeakPolarHBondContact O-CB 3.33Å; Q186-Y189 PolarHBondContact O-N 2.87Å; Q186-L190 VanDerWaalsContact O-CG 3.28Å; Q186-L190 WeakPolarHBondContact O-CG 3.43Å; Q186-L190 PolarHBondContact O-N 2.97Å
187	L	88.4	Confident	84.7	Confident	28 Å²	28	74.3 Å²	74.3	15%	0.147	35%	0.351	C	S	.	.	H	α-helix	trans	-57.9	-48.7	174.4	-68.5	171	0	0	0	111.3	V171 R175 I182 N183 Q184 Y189 L190 E191	V171-L187 HydrophobicContact CB-CD2 4.4Å; V171-L187 HydrophobicContact CG1-CD2 3.71Å; V171-L187 HydrophobicContact CG2-CD2 3.78Å; R175-L187 VanDerWaalsContact NH2-CD1 3.32Å; I182-L187 HydrophobicContact CB-CD2 4.37Å; I182-L187 HydrophobicContact CG2-CD2 3.75Å; I182-L187 HydrophobicContact CG2-CG 3.94Å; N183-L187 WeakPolarHBondContact O-CG 3.27Å; N183-L187 PolarHBondContact O-N 3.14Å; Q184-L187 PolarHBondContact O-N 2.96Å; L187-Y189 VanDerWaalsContact C-N 3.26Å; L187-Y189 PolarHBondContact O-N 2.7Å; L187-L190 PolarHBondContact O-N 3.5Å; L187-L190 VanDerWaalsContact O-N 3.14Å; L187-E191 WeakPolarHBondContact O-CB 3.5Å; L187-E191 PolarHBondContact O-N 3.09Å
188	Y	89.4	Confident	84.9	Confident	130 Å²	130	75 Å²	75	51%	0.51	35%	0.351	S	S	.	.	H	α-helix	trans	-60	-37.7	177.9	-177.6	-103.5	0	0	0	112.8	Q184 Q186 K192	Q184-Y188 PolarHBondContact O-N 2.92Å; Q186-Y188 PolarHBondContact O-N 3.44Å; Y188-K192 HydrophobicContact CD1-CD 4.29Å; Y188-K192 HydrophobicContact CE1-CD 3.75Å; Y188-K192 HydrophobicContact CE2-CD 4.29Å; Y188-K192 WeakPolarHBondContact O-CG 3.39Å; Y188-K192 PolarHBondContact O-N 2.93Å; Y188-K192 VanDerWaalsContact OH-CE 3.26Å; Y188-K192 WeakPolarHBondContact OH-CE 3.33Å; Y188-K192 PolarHBondContact OH-NZ 3.13Å
189	Y	90	Very high	85.4	Confident	37 Å²	37	72.7 Å²	72.7	15%	0.145	34%	0.343	C	S	.	.	H	α-helix	trans	-66.3	-45.3	174	169.8	-103	0	0	0	112.4	P97 P98 R103 V154 L158 K185 Q186 L187 K192 Y193	P97-Y189 HydrophobicContact CB-CD1 3.9Å; P97-Y189 HydrophobicContact CB-CD2 3.42Å; P97-Y189 VanDerWaalsContact CB-CD2 3.42Å; P97-Y189 HydrophobicContact CB-CE1 3.99Å; P97-Y189 HydrophobicContact CB-CE2 3.53Å; P97-Y189 HydrophobicContact CB-CG 3.61Å; P97-Y189 HydrophobicContact CG-CD1 4.3Å; P97-Y189 HydrophobicContact CG-CD2 3.47Å; P97-Y189 VanDerWaalsContact CG-CD2 3.47Å; P97-Y189 HydrophobicContact CG-CE2 4.09Å; P97-Y189 HydrophobicContact CG-CG 3.59Å; P98-Y189 HydrophobicContact CG-CE1 4.47Å; R103-Y189 PolarHBondContact NE-OH 2.79Å; R103-Y189 PolarHBondContact NH2-OH 2.61Å; V154-Y189 HydrophobicContact CG1-CD1 4.47Å; V154-Y189 HydrophobicContact CG1-CE1 4.46Å; L158-Y189 HydrophobicContact CD1-CE1 4.23Å; L158-Y189 HydrophobicContact CD2-CE1 3.99Å; L158-Y189 HydrophobicContact CG-CE1 4.49Å; K185-Y189 PolarHBondContact O-N 3.41Å; K185-Y189 VanDerWaalsContact O-N 3.13Å; Q186-Y189 WeakPolarHBondContact O-CB 3.33Å; Q186-Y189 PolarHBondContact O-N 2.87Å; L187-Y189 VanDerWaalsContact C-N 3.26Å; L187-Y189 PolarHBondContact O-N 2.7Å; Y189-K192 PolarHBondContact O-N 3.3Å; Y189-Y193 HydrophobicContact CE1-CD2 4.46Å; Y189-Y193 PolarHBondContact O-N 2.98Å
190	L	91.1	Very high	86.1	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-65.6	-37.6	179.7	-69.4	171.3	0	0	0	112.1	V154 A157 L158 I161 V171 I182 Q186 L187 K192 Y193	V154-L190 HydrophobicContact CG1-CD2 4.37Å; A157-L190 HydrophobicContact CB-CD1 3.72Å; A157-L190 HydrophobicContact CB-CD2 3.8Å; A157-L190 HydrophobicContact CB-CG 4.44Å; L158-L190 HydrophobicContact CD2-CD2 3.97Å; L158-L190 HydrophobicContact CG-CD2 4.08Å; I161-L190 HydrophobicContact CD1-CB 4.35Å; I161-L190 HydrophobicContact CD1-CD2 3.93Å; V171-L190 HydrophobicContact CG2-CD1 4.03Å; I182-L190 HydrophobicContact CD1-CD1 4.18Å; I182-L190 HydrophobicContact CG2-CD1 4.16Å; Q186-L190 VanDerWaalsContact O-CG 3.28Å; Q186-L190 WeakPolarHBondContact O-CG 3.43Å; Q186-L190 PolarHBondContact O-N 2.97Å; L187-L190 PolarHBondContact O-N 3.5Å; L187-L190 VanDerWaalsContact O-N 3.14Å; L190-K192 VanDerWaalsContact C-N 3.32Å; L190-K192 PolarHBondContact O-N 3.18Å; L190-Y193 WeakPolarHBondContact O-CB 3.46Å; L190-Y193 PolarHBondContact O-N 3.06Å
191	E	92.5	Very high	86.8	Confident	111 Å²	111	71.9 Å²	71.9	52%	0.519	34%	0.336	S	S	.	.	H	α-helix	trans	-60.8	-41	174.3	179.9	-177.7	-152.4	0	0	111.7	F167 L187 Y193	F167-E191 HydrophobicContact CD2-CB 4.34Å; F167-E191 HydrophobicContact CE1-CG 4.23Å; F167-E191 HydrophobicContact CE2-CB 4.09Å; F167-E191 HydrophobicContact CE2-CG 4.35Å; F167-E191 HydrophobicContact CZ-CB 4.21Å; F167-E191 HydrophobicContact CZ-CG 3.97Å; L187-E191 WeakPolarHBondContact O-CB 3.5Å; L187-E191 PolarHBondContact O-N 3.09Å; E191-Y193 VanDerWaalsContact C-N 3.34Å
192	K	92.8	Very high	87.1	Confident	124 Å²	124	72.6 Å²	72.6	54%	0.539	34%	0.339	S	S	.	.	H	α-helix	trans	-83.7	-8.8	179.5	-71.6	-173.4	164.4	-163.8	0	114.3	Y188 Y189 L190 K194	Y188-K192 HydrophobicContact CD1-CD 4.29Å; Y188-K192 HydrophobicContact CE1-CD 3.75Å; Y188-K192 HydrophobicContact CE2-CD 4.29Å; Y188-K192 WeakPolarHBondContact O-CG 3.39Å; Y188-K192 PolarHBondContact O-N 2.93Å; Y188-K192 VanDerWaalsContact OH-CE 3.26Å; Y188-K192 WeakPolarHBondContact OH-CE 3.33Å; Y188-K192 PolarHBondContact OH-NZ 3.13Å; Y189-K192 PolarHBondContact O-N 3.3Å; L190-K192 VanDerWaalsContact C-N 3.32Å; L190-K192 PolarHBondContact O-N 3.18Å; K192-K194 PolarHBondContact O-N 2.96Å
193	Y	92.6	Very high	87	Confident	27 Å²	27	76 Å²	76	11%	0.106	35%	0.351	C	S	.	.			trans	-67.3	128.3	-175.5	-176.3	-100.7	0	0	0	110.7	R103 L158 I161 E162 Y189 L190 E191 P195	R103-Y193 WeakPolarHBondContact CD-OH 3.47Å; L158-Y193 HydrophobicContact CD2-CD1 3.74Å; L158-Y193 HydrophobicContact CD2-CD2 3.5Å; L158-Y193 HydrophobicContact CD2-CE1 3.79Å; L158-Y193 HydrophobicContact CD2-CE2 3.55Å; L158-Y193 HydrophobicContact CD2-CG 3.6Å; I161-Y193 HydrophobicContact CG2-CD1 3.94Å; I161-Y193 HydrophobicContact CG2-CE1 4.39Å; E162-Y193 HydrophobicContact CG-CE1 4.29Å; E162-Y193 VanDerWaalsContact OE1-CE1 3.28Å; E162-Y193 WeakPolarHBondContact OE1-CE1 3.48Å; E162-Y193 PolarHBondContact OE1-OH 2.91Å; Y189-Y193 HydrophobicContact CE1-CD2 4.46Å; Y189-Y193 PolarHBondContact O-N 2.98Å; L190-Y193 WeakPolarHBondContact O-CB 3.46Å; L190-Y193 PolarHBondContact O-N 3.06Å; E191-Y193 VanDerWaalsContact C-N 3.34Å; Y193-P195 HydrophobicContact CE1-CB 4.23Å; Y193-P195 WeakPolarHBondContact O-CD 3.3Å
194	K	91.6	Very high	86.1	Confident	184 Å²	184	79.1 Å²	79.1	80%	0.8	37%	0.368	S	S	*	.			trans	-99.8	107.4	176.3	-67.1	-172.5	-178.9	-177.4	0	109.5	K192	K192-K194 PolarHBondContact O-N 2.96Å
195	P	89.8	Confident	84.8	Confident	65 Å²	65	75.3 Å²	75.3	42%	0.422	36%	0.362	S	S	.	.			trans	-69.2	142.4	179.7	24.6	-30.7	0	0	0	111.9	I161 E162 Y193 G197	I161-P195 HydrophobicContact CG2-CB 4.04Å; I161-P195 HydrophobicContact CG2-CG 4.04Å; E162-P195 VanDerWaalsContact OE1-CA 3.28Å; E162-P195 WeakPolarHBondContact OE1-CA 3.2Å; Y193-P195 HydrophobicContact CE1-CB 4.23Å; Y193-P195 WeakPolarHBondContact O-CD 3.3Å; P195-G197 VanDerWaalsContact C-N 3.34Å
196	T	89.6	Confident	83	Confident	94 Å²	94	77.2 Å²	77.2	58%	0.577	37%	0.37	S	S	*	.			trans	-78.6	-24.3	169.3	54.1	0	0	0	0	111.3	E162 E198	E162-T196 PolarHBondContact OE1-N 3.5Å; E162-T196 PolarHBondContact OE1-OG1 3.3Å; E162-T196 PolarHBondContact OE2-N 3.36Å; E162-T196 PolarHBondContact OE2-OG1 3.44Å; T196-E198 VanDerWaalsContact OG1-CG 3.26Å; T196-E198 WeakPolarHBondContact OG1-CG 3.37Å; T196-E198 PolarHBondContact OG1-OE2 3.04Å; T196-E198 VanDerWaalsContact OG1-OE2 3.05Å
197	G	85.2	Confident	81	Confident	14 Å²	14	85.8 Å²	85.8	14%	0.144	40%	0.403	C	S	.	.			trans	82.4	16	-179.4	0	0	0	0	0	113.6	E162 P195 L199 K200	E162-G197 CarbonylContact O-C 3.49Å; E162-G197 WeakPolarHBondContact O-CA 3.25Å; E162-G197 PolarHBondContact OE2-N 3.49Å; P195-G197 VanDerWaalsContact C-N 3.34Å; G197-L199 PolarHBondContact O-N 3.13Å; G197-K200 WeakPolarHBondContact O-CB 3.5Å; G197-K200 WeakPolarHBondContact O-CG 3.43Å; G197-K200 PolarHBondContact O-N 2.81Å; G197-K200 VanDerWaalsContact O-N 3.17Å
198	E	85.2	Confident	78.7	Confident	93 Å²	93	93.8 Å²	93.8	44%	0.435	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-20	-170.9	-65.1	175.5	102.6	0	0	113.6	K111 T196	K111-E198 IonicContact NZ-OE1 2.88Å; K111-E198 PolarHBondContact NZ-OE1 3.31Å; K111-E198 IonicContact NZ-OE2 2.69Å; K111-E198 PolarHBondContact NZ-OE2 2.97Å; T196-E198 VanDerWaalsContact OG1-CG 3.26Å; T196-E198 WeakPolarHBondContact OG1-CG 3.37Å; T196-E198 PolarHBondContact OG1-OE2 3.04Å; T196-E198 VanDerWaalsContact OG1-OE2 3.05Å
199	L	87.2	Confident	76.2	Confident	1 Å²	1	97.1 Å²	97.1	1%	0.005	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-1.3	177	-60.1	-177.6	0	0	0	113.4	M39 M107 L110 K111 A159 E162 A163 G197 K201 F202	M39-L199 HydrophobicContact SD-CB 4.41Å; M39-L199 HydrophobicContact SD-CD1 4.18Å; M107-L199 HydrophobicContact SD-CD1 3.96Å; L110-L199 HydrophobicContact CB-CD1 4.24Å; L110-L199 HydrophobicContact CB-CD2 4.16Å; L110-L199 HydrophobicContact CD1-CD1 3.82Å; K111-L199 HydrophobicContact CG-CD2 3.75Å; A159-L199 HydrophobicContact CB-CD1 4.23Å; E162-L199 HydrophobicContact CB-CB 4.12Å; E162-L199 HydrophobicContact CB-CD1 3.95Å; E162-L199 HydrophobicContact CB-CG 4.05Å; A163-L199 HydrophobicContact CB-CB 4.12Å; G197-L199 PolarHBondContact O-N 3.13Å; L199-K201 PolarHBondContact O-N 3.23Å; L199-F202 HydrophobicContact CB-CD2 4.23Å; L199-F202 HydrophobicContact CD2-CD2 3.86Å; L199-F202 HydrophobicContact CD2-CE2 3.74Å; L199-F202 PolarHBondContact O-N 2.82Å
200	K	85.9	Confident	73.6	Confident	115 Å²	115	103.7 Å²	103.7	50%	0.5	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-55.9	-29.4	-178.9	-75.2	177.9	179.6	173.9	0	113.6	E162 G197 F202 R203	E162-K200 PolarHBondContact O-N 2.62Å; G197-K200 WeakPolarHBondContact O-CB 3.5Å; G197-K200 WeakPolarHBondContact O-CG 3.43Å; G197-K200 PolarHBondContact O-N 2.81Å; G197-K200 VanDerWaalsContact O-N 3.17Å; K200-F202 PolarHBondContact O-N 2.89Å; K200-R203 VanDerWaalsContact O-CB 3.23Å; K200-R203 WeakPolarHBondContact O-CB 3.35Å; K200-R203 PolarHBondContact O-N 3.1Å
201	K	84.7	Confident	70.7	Confident	130 Å²	130	109.4 Å²	109.4	57%	0.565	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-61.5	-26.5	177.7	63.6	-175.2	-177.2	175.2	0	113.4	L199 R203	L199-K201 PolarHBondContact O-N 3.23Å; K201-R203 VanDerWaalsContact C-N 3.32Å
202	F	82.5	Confident	68	Low	16 Å²	16	111.7 Å²	111.7	7%	0.07	54%	0.541	C	S	.	.	G	3₁₀ helix	trans	-88.2	2.8	-179.7	-54.7	-65.6	0	0	0	113.7	H38 M39 F114 L199 K200 N204	H38-F202 PolarHBondContact CD2-O 2.84Å; H38-F202 VanDerWaalsContact CD2-O 3.3Å; H38-F202 PolarHBondContact N-O 2.83Å; M39-F202 HydrophobicContact CG-CB 4Å; M39-F202 HydrophobicContact SD-CB 4.4Å; F114-F202 VanDerWaalsContact C-CE1 3.41Å; F114-F202 HydrophobicContact CB-CD1 3.79Å; F114-F202 HydrophobicContact CB-CD2 4.37Å; F114-F202 HydrophobicContact CB-CE1 3.79Å; F114-F202 HydrophobicContact CB-CE2 4.35Å; F114-F202 HydrophobicContact CB-CG 4.07Å; F114-F202 HydrophobicContact CB-CZ 4.04Å; F114-F202 WeakPolarHBondContact O-CE1 3.26Å; L199-F202 HydrophobicContact CB-CD2 4.23Å; L199-F202 HydrophobicContact CD2-CD2 3.86Å; L199-F202 HydrophobicContact CD2-CE2 3.74Å; L199-F202 PolarHBondContact O-N 2.82Å; K200-F202 PolarHBondContact O-N 2.89Å; F202-N204 VanDerWaalsContact C-N 3.33Å; F202-N204 PolarHBondContact O-N 3.25Å
203	R	76.5	Confident	65.8	Low	79 Å²	79	113.1 Å²	113.1	30%	0.298	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-75.1	-17.4	-177.9	-167.9	-178.9	68.9	171.5	0.6	114	F36 A163 K200 K201 A205	F36-R203 HydrophobicContact CE1-CG 4.01Å; F36-R203 HydrophobicContact CZ-CG 4.09Å; A163-R203 WeakPolarHBondContact O-CD 3.43Å; K200-R203 VanDerWaalsContact O-CB 3.23Å; K200-R203 WeakPolarHBondContact O-CB 3.35Å; K200-R203 PolarHBondContact O-N 3.1Å; K201-R203 VanDerWaalsContact C-N 3.32Å; R203-A205 PolarHBondContact O-N 2.98Å
204	N	61.7	Low	63.3	Low	101 Å²	101	123.7 Å²	123.7	54%	0.54	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.3	51.3	-161.4	-97	0	0	0	0	116.7	H38 F202	H38-N204 PolarHBondContact NE2-O 3.17Å; F202-N204 VanDerWaalsContact C-N 3.33Å; F202-N204 PolarHBondContact O-N 3.25Å
205	A	54.8	Low	61.9	Low	70 Å²	70	120.7 Å²	120.7	58%	0.579	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-9.4	160.7	0	0	0	0	0	113.4	R203	R203-A205 PolarHBondContact O-N 2.98Å
206	K	44.8	Very low	60.5	Low	198 Å²	198	123.6 Å²	123.6	86%	0.861	61%	0.606	S	S	*	*	S	Bend	trans	-133.9	11.3	-167.2	-137.1	-178.8	-176.9	-177.8	0	117.2
207	R	44.3	Very low	58.8	Low	184 Å²	184	125.2 Å²	125.2	69%	0.694	61%	0.608	S	S	*	*			trans	-96.7	8	179.2	-111.5	-173.8	174.5	-172.3	-5.9	115.8	K209	R207-K209 VanDerWaalsContact C-N 3.32Å; R207-K209 PolarHBondContact O-N 3.02Å
208	E	40.4	Very low	57.3	Low	195 Å²	195	131.8 Å²	131.8	91%	0.911	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	9.7	175.8	-89.9	-176.6	163.7	0	0	115.3
209	K	36.1	Very low	55.6	Low	200 Å²	200	134.2 Å²	134.2	87%	0.87	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.2	20.6	179.1	-69.1	-163.4	178.1	-173.5	0	116.3	R207	R207-K209 VanDerWaalsContact C-N 3.32Å; R207-K209 PolarHBondContact O-N 3.02Å
210	E	36.6	Very low	53.4	Low	176 Å²	176	143.1 Å²	143.1	82%	0.822	69%	0.69	S	S	*	*			trans	-137.1	54.2	171.3	-115.1	179.4	-178.3	0	0	111
211	C	29.2	Very low	51.1	Low	120 Å²	120	145.1 Å²	145.1	81%	0.811	70%	0.704	S	S	*	*			trans	-122.3	78.8	152.3	-84.6	0	0	0	0	107.2	I213	C211-I213 PolarHBondContact O-N 3.17Å
212	I	36.5	Very low	48.5	Very low	159 Å²	159	146.2 Å²	146.2	82%	0.815	71%	0.714	S	S	*	*			trans	-83	95.6	153.1	-46.9	167.8	0	0	0	103.4
213	I	46.3	Very low	45.7	Very low	154 Å²	154	157.1 Å²	157.1	79%	0.79	77%	0.768	S	S	*	*			trans	-96.7	125.5	156.5	-65.9	-171.7	0	0	0	105.5	C211	C211-I213 PolarHBondContact O-N 3.17Å
214	M	41.4	Very low	42.9	Very low	249 Å²	249	164.2 Å²	164.2	100%	1.227	81%	0.811	S	S	*	*			trans	-46.7	0	179.1	-66.3	-177	-99.1	0	0	114

Retrieved 214 of 214 residues in 444.8 ms (Link to these results)

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