A0A087XVX0_POEFO Loading...

Rho-related BTB domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A087XVX0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 720 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	39.1	Very low	32	Very low	252 Å²	252	162.5 Å²	162.5	100%	1.241	84%	0.841	S	S	*	*				0	100	0	-87.3	174.9	166.7	0	0	107.8
2	E	26.5	Very low	32.3	Very low	166 Å²	166	159.2 Å²	159.2	78%	0.776	83%	0.825	S	S	*	*			trans	-62.9	155.2	163.3	-100.3	-174	171.5	0	0	110.3
3	P	33.7	Very low	32.7	Very low	118 Å²	118	160.7 Å²	160.7	77%	0.766	83%	0.834	S	S	*	*				-141.1	141.9	58.8	32.3	-10.7	0	0	0	118.7
4	R	27.6	Very low	33.1	Very low	219 Å²	219	159.5 Å²	159.5	83%	0.826	83%	0.825	S	S	*	*			trans	59	114.8	131.1	-60.6	-175.7	-174.8	-175.4	1.8	121.6
5	F	28.6	Very low	33.5	Very low	197 Å²	197	159.6 Å²	159.6	86%	0.864	82%	0.82	S	S	*	*			trans	-59.7	161.2	150.8	-81.6	-85.9	0	0	0	112.7
6	P	33.5	Very low	33.6	Very low	117 Å²	117	160.3 Å²	160.3	76%	0.76	82%	0.818	S	S	*	*				-139.1	129.9	94.8	32.9	-15.4	0	0	0	116.5
7	T	29.1	Very low	33.6	Very low	118 Å²	118	161.9 Å²	161.9	72%	0.724	82%	0.819	S	S	*	*			trans	54.5	113.2	133	60.2	0	0	0	0	124.1
8	R	34.7	Very low	33.7	Very low	247 Å²	247	159.6 Å²	159.6	93%	0.932	81%	0.808	S	S	*	*			trans	43.8	119.1	132.5	-77.3	-177.3	172.4	177.4	-1.9	119.7
9	S	27.2	Very low	33.7	Very low	119 Å²	119	158.4 Å²	158.4	83%	0.832	80%	0.803	S	S	*	*				-160.7	146.7	97.9	58.9	0	0	0	0	112
10	S	39.2	Very low	33.6	Very low	105 Å²	105	158.9 Å²	158.9	73%	0.734	81%	0.807	S	S	*	*			trans	-66.7	137.4	-175.3	39.3	0	0	0	0	113.9
11	T	33.1	Very low	33.7	Very low	129 Å²	129	161.4 Å²	161.4	79%	0.791	81%	0.807	S	S	*	*				175.1	147.6	122.8	30.2	0	0	0	0	113.1
12	N	35.3	Very low	33.4	Very low	123 Å²	123	153.2 Å²	153.2	66%	0.658	77%	0.774	S	S	*	*			trans	87.5	92.9	149.8	-77.9	-35.7	0	0	0	120.9	M14	N12-M14 HydrophobicContact CB-CB 4.36Å; N12-M14 PolarHBondContact O-N 3.39Å
13	L	38.1	Very low	33.7	Very low	179 Å²	179	154.1 Å²	154.1	94%	0.937	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.4	14.6	148.5	-102.4	115.6	0	0	0	116.2
14	M	38.1	Very low	33.8	Very low	144 Å²	144	156.6 Å²	156.6	71%	0.709	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-6.5	-178.9	-104.9	-165.8	150.9	0	0	114.8	N12	N12-M14 HydrophobicContact CB-CB 4.36Å; N12-M14 PolarHBondContact O-N 3.39Å
15	Q	38.4	Very low	33.9	Very low	161 Å²	161	152 Å²	152	75%	0.752	78%	0.781	S	S	*	*	S	Bend	trans	-88.5	-17.2	-178.9	-100.8	173.3	-11.7	0	0	114.7
16	H	35	Very low	34.3	Very low	171 Å²	171	149.9 Å²	149.9	79%	0.792	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-10.3	179	-127.5	-82.7	0	0	0	114.1
17	F	34.6	Very low	34.5	Very low	188 Å²	188	150.4 Å²	150.4	83%	0.825	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-9.5	174.6	-123.6	-87.1	0	0	0	113.5
18	L	35.1	Very low	34.8	Very low	119 Å²	119	150.6 Å²	150.6	62%	0.623	78%	0.776	S	S	*	*	S	Bend	trans	-95.7	-12.2	-176.3	-79.3	165.6	0	0	0	114.3
19	L	33.5	Very low	34.8	Very low	137 Å²	137	147.5 Å²	147.5	72%	0.717	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-7.4	-179.9	-96.3	149.9	0	0	0	114.7
20	L	32.7	Very low	35.4	Very low	168 Å²	168	147.7 Å²	147.7	88%	0.88	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	1	171.6	-113.4	115.8	0	0	0	113.8
21	R	34.4	Very low	35.4	Very low	212 Å²	212	153.8 Å²	153.8	80%	0.8	78%	0.775	S	S	*	*	S	Bend	trans	-104.3	2.6	179.8	-143.9	-178.7	-174.9	-172.9	0.6	113.9
22	S	33.4	Very low	35.8	Very low	80 Å²	80	155.6 Å²	155.6	56%	0.559	77%	0.774	S	S	*	*	S	Bend	trans	-103.7	26.4	-174	80.1	0	0	0	0	115
23	Q	32.7	Very low	36.3	Very low	186 Å²	186	159.2 Å²	159.2	87%	0.869	78%	0.779	S	S	*	*	S	Bend	trans	-129.2	18.7	174	-78.1	-168.3	-11.5	0	0	115
24	L	35.2	Very low	37.1	Very low	170 Å²	170	156 Å²	156	89%	0.89	77%	0.768	S	S	*	*	S	Bend	trans	-142	54.1	170.2	-77.4	172.4	0	0	0	111.6
25	T	30.8	Very low	38.6	Very low	122 Å²	122	154.7 Å²	154.7	75%	0.748	76%	0.764	S	S	*	*			trans	-136.1	84	166.6	54.1	0	0	0	0	108.7
26	D	36.4	Very low	40.9	Very low	153 Å²	153	149.9 Å²	149.9	82%	0.818	75%	0.746	S	S	*	*			trans	-123	140.9	149.9	-125.3	-20	0	0	0	106.3
27	T	37.7	Very low	43.5	Very low	128 Å²	128	142.3 Å²	142.3	79%	0.785	71%	0.711	S	S	*	*	S	Bend	trans	76.7	103.5	-176.9	57.2	0	0	0	0	118.8
28	D	35.7	Very low	46.2	Very low	122 Å²	122	136.1 Å²	136.1	65%	0.652	69%	0.689	S	S	*	*			trans	153.4	94.9	131.8	-87.2	-12.8	0	0	0	109.8
29	M	34.9	Very low	48.9	Very low	181 Å²	181	130.4 Å²	130.4	89%	0.892	66%	0.659	S	S	*	*			trans	-106.8	79.6	165.5	-85.5	-87.3	88.3	0	0	108.6
30	D	40	Very low	51.7	Low	124 Å²	124	125.3 Å²	125.3	66%	0.663	63%	0.631	S	S	*	*			trans	-81	121.4	167.2	-87	-30.3	0	0	0	110	E32	D30-E32 HydrophobicContact CB-CG 4.38Å; D30-E32 PolarHBondContact O-N 2.89Å
31	Y	38.5	Very low	54.5	Low	233 Å²	233	117.3 Å²	117.3	91%	0.914	59%	0.589	S	S	*	*			trans	-70	77.7	163.2	-93	-95.4	0	0	0	109.7	R33	Y31-R33 PolarHBondContact O-N 3.13Å
32	E	42	Very low	57.3	Low	166 Å²	166	107.2 Å²	107.2	78%	0.776	55%	0.551	S	S	*	*			trans	-79.7	115.4	170	-77.6	-164.4	155	0	0	110.8	D30	D30-E32 HydrophobicContact CB-CG 4.38Å; D30-E32 PolarHBondContact O-N 2.89Å
33	R	46.3	Very low	60.1	Low	199 Å²	199	103.4 Å²	103.4	75%	0.751	52%	0.524	S	S	*	.			trans	-64.8	136.9	156.1	-69.9	-178.7	-179.2	172.5	0.1	107.9	Y31 N35	Y31-R33 PolarHBondContact O-N 3.13Å; R33-N35 PolarHBondContact O-N 3.18Å
34	P	54.2	Low	63	Low	111 Å²	111	94.6 Å²	94.6	72%	0.721	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	133.7	176.1	24.3	-30.9	0	0	0	110.2
35	N	69.9	Low	65.7	Low	117 Å²	117	86.5 Å²	86.5	63%	0.626	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	90	23.3	169.7	-44.1	-40.5	0	0	0	119.6	R33	R33-N35 PolarHBondContact O-N 3.18Å
36	V	85.1	Confident	68.6	Low	60 Å²	60	81.6 Å²	81.6	36%	0.364	41%	0.41	S	S	.	.			trans	-85.9	121.7	169.9	-175.9	0	0	0	0	111.1	S101	V36-S101 WeakPolarHBondContact CA-O 3.43Å
37	E	89.9	Confident	71	Confident	13 Å²	13	77.6 Å²	77.6	6%	0.061	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	109.4	176.7	-68.4	-70.4	154.7	0	0	110.7	V100 S101 V102 S103 L232 R235 K242 H244 L245	E37-V100 HydrophobicContact CB-CG1 4.35Å; E37-V100 HydrophobicContact CG-CG1 3.94Å; E37-S101 PolarHBondContact N-O 3.35Å; E37-V102 HydrophobicContact CB-CG1 4.26Å; E37-V102 CarbonylContact O-C 3.58Å; E37-V102 VanDerWaalsContact O-CA 3.24Å; E37-V102 WeakPolarHBondContact O-CA 3.36Å; E37-S103 PolarHBondContact O-N 3.07Å; E37-L232 HydrophobicContact CB-CD2 3.91Å; E37-L232 HydrophobicContact CG-CD2 4.05Å; E37-R235 VanDerWaalsContact OE2-CD 3.22Å; E37-R235 WeakPolarHBondContact OE2-CD 3.49Å; E37-R235 IonicContact OE2-CZ 3.88Å; E37-R235 IonicContact OE2-NE 3.55Å; E37-R235 IonicContact OE2-NH1 2.74Å; E37-R235 PolarHBondContact OE2-NH1 3.16Å; E37-K242 IonicContact OE1-NZ 3.27Å; E37-K242 PolarHBondContact OE1-NZ 2.73Å; E37-K242 IonicContact OE2-NZ 2.63Å; E37-K242 PolarHBondContact OE2-NZ 2.85Å; E37-K242 VanDerWaalsContact OE2-NZ 3.13Å; E37-H244 IonicContact OE1-CE1 2.69Å; E37-H244 PolarHBondContact OE1-CE1 3.36Å; E37-H244 IonicContact OE1-NE2 3.61Å; E37-H244 PolarHBondContact OE1-NE2 2.95Å; E37-L245 HydrophobicContact CG-CD2 4.22Å
38	T	90.9	Very high	73.3	Confident	57 Å²	57	76 Å²	76	35%	0.35	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	132.8	172.7	-62.2	0	0	0	0	110.1	S103 R105 R235	T38-S103 WeakPolarHBondContact CA-O 3.5Å; T38-R105 HydrophobicContact CG2-CG 4.32Å; T38-R235 PolarHBondContact O-NH1 3.45Å; T38-R235 VanDerWaalsContact O-NH1 3.07Å; T38-R235 PolarHBondContact O-NH2 3.41Å
39	I	92.4	Very high	75.9	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	117.2	-178	-62.8	173.7	0	0	0	109.1	V102 S103 L104 R105 D125 V126 I228 A231 L232	I39-V102 HydrophobicContact CD1-CB 4.17Å; I39-V102 HydrophobicContact CD1-CG1 3.86Å; I39-S103 PolarHBondContact N-O 3.43Å; I39-L104 HydrophobicContact CB-CD1 4.38Å; I39-L104 HydrophobicContact CG2-CD1 4.09Å; I39-R105 PolarHBondContact O-N 2.84Å; I39-D125 WeakPolarHBondContact CA-OD2 3.4Å; I39-D125 HydrophobicContact CG2-CB 3.99Å; I39-V126 HydrophobicContact CG2-CG1 4.11Å; I39-I228 HydrophobicContact CD1-CB 4.08Å; I39-I228 HydrophobicContact CD1-CG1 3.99Å; I39-I228 HydrophobicContact CD1-CG2 3.62Å; I39-A231 HydrophobicContact CD1-CB 4.31Å; I39-A231 HydrophobicContact CG2-CB 3.83Å; I39-L232 HydrophobicContact CD1-CD2 3.91Å; I39-L232 HydrophobicContact CD1-CG 3.96Å
40	K	91.7	Very high	78.4	Confident	30 Å²	30	62.3 Å²	62.3	13%	0.13	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	110.9	170.2	178.4	171.9	173.7	178.3	0	110.1	V42 W107 A120 G122 D125 V126	K40-V42 HydrophobicContact CG-CG2 4.36Å; K40-W107 HydrophobicContact CG-CG 4.45Å; K40-A120 WeakPolarHBondContact CE-O 3.23Å; K40-A120 PolarHBondContact NZ-O 3.48Å; K40-G122 PolarHBondContact NZ-O 3.45Å; K40-D125 PolarHBondContact N-OD2 3.2Å; K40-D125 PolarHBondContact O-N 3.41Å; K40-V126 PolarHBondContact O-N 3.03Å
41	C	93.1	Very high	80.8	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	116.1	178.1	176.3	0	0	0	0	110.6	L104 R105 L106 W107 V126	C41-L104 HydrophobicContact CB-CD1 3.59Å; C41-R105 PolarHBondContact N-O 3.1Å; C41-L106 HydrophobicContact CB-CD2 4.13Å; C41-W107 PolarHBondContact O-N 2.8Å; C41-V126 HydrophobicContact CB-CG1 3.83Å
42	V	92.4	Very high	82.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129.5	179.5	-177.7	0	0	0	0	110.2	K40 V44 W107 T109 A120 S124 V126 V127 V128	K40-V42 HydrophobicContact CG-CG2 4.36Å; V42-V44 HydrophobicContact CG1-CG1 3.91Å; V42-W107 HydrophobicContact CB-CB 4.41Å; V42-W107 HydrophobicContact CG1-CB 4.47Å; V42-W107 HydrophobicContact CG2-CB 4.01Å; V42-W107 HydrophobicContact CG2-CG 4.39Å; V42-T109 HydrophobicContact CG1-CG2 3.87Å; V42-A120 HydrophobicContact CG1-CB 4.15Å; V42-A120 WeakPolarHBondContact CG2-O 3.42Å; V42-S124 WeakPolarHBondContact CG2-OG 3.35Å; V42-V126 PolarHBondContact N-O 3.43Å; V42-V126 VanDerWaalsContact N-O 3.09Å; V42-V127 CarbonylContact O-C 3.58Å; V42-V127 WeakPolarHBondContact O-CA 3.26Å; V42-V128 PolarHBondContact O-N 3.45Å
43	V	92.6	Very high	85	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.9	179.2	-169.7	0	0	0	0	109.5	K51 I55 W107 T109 V128 F224	V43-K51 HydrophobicContact CG1-CB 3.95Å; V43-K51 HydrophobicContact CG1-CD 4.34Å; V43-K51 HydrophobicContact CG1-CG 4.15Å; V43-I55 HydrophobicContact CB-CD1 3.93Å; V43-I55 HydrophobicContact CB-CG1 4.38Å; V43-I55 HydrophobicContact CG2-CD1 3.74Å; V43-I55 HydrophobicContact CG2-CG1 3.8Å; V43-W107 PolarHBondContact N-O 3.43Å; V43-T109 PolarHBondContact O-OG1 3.42Å; V43-V128 WeakPolarHBondContact CA-O 3.3Å; V43-V128 HydrophobicContact CG1-CB 4.42Å; V43-V128 HydrophobicContact CG1-CG1 4.34Å; V43-V128 HydrophobicContact CG2-CB 4.29Å; V43-F224 HydrophobicContact CG2-CE1 4.49Å
44	V	92.8	Very high	86.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	161.6	-172.5	-71.3	0	0	0	0	112	V42 T109 Y121 V127 V128 L129 C130 W146 I150	V42-V44 HydrophobicContact CG1-CG1 3.91Å; V44-T109 WeakPolarHBondContact CA-OG1 3.47Å; V44-T109 HydrophobicContact CG1-CG2 3.92Å; V44-T109 VanDerWaalsContact CG1-OG1 3.31Å; V44-T109 WeakPolarHBondContact CG1-OG1 3.38Å; V44-Y121 HydrophobicContact CG1-CE1 3.81Å; V44-V127 HydrophobicContact CG2-CG1 3.44Å; V44-V127 VanDerWaalsContact CG2-CG1 3.44Å; V44-V128 PolarHBondContact N-O 2.99Å; V44-L129 HydrophobicContact CG2-CB 4.44Å; V44-L129 HydrophobicContact CG2-CD1 4.02Å; V44-C130 PolarHBondContact O-N 2.85Å; V44-W146 HydrophobicContact CB-CE3 4.37Å; V44-W146 HydrophobicContact CB-CZ3 4.47Å; V44-I150 HydrophobicContact CG2-CD1 3.66Å; V44-I150 HydrophobicContact CG2-CG1 4.21Å
45	G	93.1	Very high	88.4	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.			trans	142.4	178.2	-177.9	0	0	0	0	0	112.2	K51 G111 C130 W146	G45-K51 PolarHBondContact O-NZ 3.23Å; G45-G111 WeakPolarHBondContact O-CA 3.33Å; G45-C130 WeakPolarHBondContact CA-O 3.25Å; G45-W146 WeakPolarHBondContact O-CZ2 3.37Å
46	D	91.5	Very high	89	Confident	19 Å²	19	26.1 Å²	26.1	10%	0.102	15%	0.152	C	C	.	.	S	Bend	trans	-57.8	165.3	-177.5	-81.7	13.9	0	0	0	113.9	V49 K51 S138 H141 W146	D46-V49 HydrophobicContact CB-CG1 3.61Å; D46-V49 VanDerWaalsContact O-CG2 3.26Å; D46-V49 WeakPolarHBondContact O-CG2 3.26Å; D46-K51 PolarHBondContact O-NZ 3.17Å; D46-S138 WeakPolarHBondContact OD2-CA 3.42Å; D46-H141 IonicContact OD1-CG 3.21Å; D46-H141 IonicContact OD1-ND1 3.38Å; D46-H141 PolarHBondContact OD1-ND1 2.98Å; D46-H141 IonicContact OD2-CE1 2.69Å; D46-H141 IonicContact OD2-CG 3.4Å; D46-H141 IonicContact OD2-ND1 2.68Å; D46-H141 PolarHBondContact OD2-ND1 2.64Å; D46-W146 PolarHBondContact OD1-NE1 3.42Å
47	N	86.6	Confident	88.9	Confident	69 Å²	69	23.4 Å²	23.4	37%	0.369	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	146.3	170.3	-82.2	-9.5	0	0	0	111.9	V49 G111 D112	N47-V49 PolarHBondContact O-N 2.63Å; N47-G111 WeakPolarHBondContact OD1-CA 3.34Å; N47-G111 PolarHBondContact OD1-N 2.98Å; N47-D112 PolarHBondContact ND2-OD1 2.91Å; N47-D112 PolarHBondContact ND2-OD2 2.97Å
48	A	85	Confident	88.6	Confident	95 Å²	95	24.2 Å²	24.2	79%	0.785	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	12.3	178.2	0	0	0	0	0	117.1	G50	A48-G50 PolarHBondContact O-N 3.08Å
49	V	90.7	Very high	88	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.006	14%	0.137	C	C	.	.	S	Bend	trans	-76	-2.1	175.8	-55.5	0	0	0	0	114.6	D46 N47 K51 C130 C164	D46-V49 HydrophobicContact CB-CG1 3.61Å; D46-V49 VanDerWaalsContact O-CG2 3.26Å; D46-V49 WeakPolarHBondContact O-CG2 3.26Å; N47-V49 PolarHBondContact O-N 2.63Å; V49-K51 HydrophobicContact CG2-CD 4.23Å; V49-K51 HydrophobicContact CG2-CG 3.61Å; V49-C130 HydrophobicContact CG2-CB 3.93Å; V49-C164 WeakPolarHBondContact O-CB 3.47Å
50	G	88.1	Confident	86.9	Confident	15 Å²	15	24.9 Å²	24.9	16%	0.155	15%	0.147	C	C	.	.	S	Bend	trans	95.7	15.8	176.1	0	0	0	0	0	116.2	A48 R53 L54	A48-G50 PolarHBondContact O-N 3.08Å; G50-R53 PolarHBondContact O-N 2.85Å; G50-L54 WeakPolarHBondContact O-CB 3.44Å; G50-L54 PolarHBondContact O-N 2.85Å
51	K	89.5	Confident	85.6	Confident	12 Å²	12	29.2 Å²	29.2	5%	0.052	17%	0.172	C	C	.	.	H	α-helix	trans	-53.8	-56.6	178.4	-55.4	-170	-58.9	-81.6	0	113.2	V43 G45 D46 V49 R53 L54 I55 T109 C130	V43-K51 HydrophobicContact CG1-CB 3.95Å; V43-K51 HydrophobicContact CG1-CD 4.34Å; V43-K51 HydrophobicContact CG1-CG 4.15Å; G45-K51 PolarHBondContact O-NZ 3.23Å; D46-K51 PolarHBondContact O-NZ 3.17Å; V49-K51 HydrophobicContact CG2-CD 4.23Å; V49-K51 HydrophobicContact CG2-CG 3.61Å; K51-R53 VanDerWaalsContact C-N 3.32Å; K51-R53 PolarHBondContact O-N 2.84Å; K51-L54 WeakPolarHBondContact O-CB 3.27Å; K51-L54 PolarHBondContact O-N 2.9Å; K51-L54 VanDerWaalsContact O-N 3.15Å; K51-I55 WeakPolarHBondContact O-CG1 3.42Å; K51-I55 PolarHBondContact O-N 3.38Å; K51-T109 WeakPolarHBondContact CE-O 3.24Å; K51-T109 PolarHBondContact NZ-O 3.19Å; K51-C130 HydrophobicContact CG-CB 4.03Å
52	T	84	Confident	83.8	Confident	33 Å²	33	32.7 Å²	32.7	20%	0.202	20%	0.201	C	C	.	.	H	α-helix	trans	-58.7	-43.2	179.7	-47.6	0	0	0	0	111.5	L54 I55 C56 D108	T52-L54 PolarHBondContact O-N 3.33Å; T52-I55 PolarHBondContact O-N 3.43Å; T52-C56 WeakPolarHBondContact O-CB 3.45Å; T52-C56 PolarHBondContact O-N 2.9Å; T52-C56 PolarHBondContact O-SG 2.9Å; T52-D108 WeakPolarHBondContact CA-OD2 3.43Å; T52-D108 VanDerWaalsContact CB-OD2 3.25Å; T52-D108 WeakPolarHBondContact CB-OD2 3.27Å; T52-D108 WeakPolarHBondContact CG2-OD2 3.23Å; T52-D108 PolarHBondContact OG1-OD2 3.27Å
53	R	84.3	Confident	81.7	Confident	113 Å²	113	37.7 Å²	37.7	43%	0.426	23%	0.231	S	C	.	.	H	α-helix	trans	-63.2	-39.9	177.6	-70.4	-178.1	175.7	156.3	-2.7	112.5	G50 K51 C56 A57 V214	G50-R53 PolarHBondContact O-N 2.85Å; K51-R53 VanDerWaalsContact C-N 3.32Å; K51-R53 PolarHBondContact O-N 2.84Å; R53-C56 PolarHBondContact O-N 3Å; R53-A57 VanDerWaalsContact O-CB 3.3Å; R53-A57 WeakPolarHBondContact O-CB 3.29Å; R53-A57 PolarHBondContact O-N 2.86Å; R53-V214 HydrophobicContact CB-CG2 4.36Å
54	L	87.6	Confident	80	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-64.8	-42.4	176.6	180	62	0	0	0	111.5	G50 K51 T52 A57 R58 V162 T212 V220 F224	G50-L54 WeakPolarHBondContact O-CB 3.44Å; G50-L54 PolarHBondContact O-N 2.85Å; K51-L54 WeakPolarHBondContact O-CB 3.27Å; K51-L54 PolarHBondContact O-N 2.9Å; K51-L54 VanDerWaalsContact O-N 3.15Å; T52-L54 PolarHBondContact O-N 3.33Å; L54-A57 PolarHBondContact O-N 2.82Å; L54-R58 PolarHBondContact O-N 2.61Å; L54-R58 VanDerWaalsContact O-N 3.15Å; L54-V162 HydrophobicContact CD2-CG1 4.32Å; L54-T212 HydrophobicContact CD1-CG2 4.03Å; L54-V220 HydrophobicContact CD1-CB 4.41Å; L54-V220 HydrophobicContact CD1-CG1 4.18Å; L54-V220 HydrophobicContact CD1-CG2 4.09Å; L54-F224 HydrophobicContact CD1-CE2 4.09Å; L54-F224 HydrophobicContact CD2-CZ 4.41Å; L54-F224 HydrophobicContact CG-CE2 3.93Å; L54-F224 HydrophobicContact CG-CZ 4Å
55	I	86.2	Confident	78.3	Confident	5 Å²	5	43.9 Å²	43.9	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-49.3	175.2	-69.6	171	0	0	0	110.9	V43 K51 T52 A57 R58 A59 I80 L106 D108	V43-I55 HydrophobicContact CB-CD1 3.93Å; V43-I55 HydrophobicContact CB-CG1 4.38Å; V43-I55 HydrophobicContact CG2-CD1 3.74Å; V43-I55 HydrophobicContact CG2-CG1 3.8Å; K51-I55 WeakPolarHBondContact O-CG1 3.42Å; K51-I55 PolarHBondContact O-N 3.38Å; T52-I55 PolarHBondContact O-N 3.43Å; I55-A57 VanDerWaalsContact C-N 3.33Å; I55-A57 PolarHBondContact O-N 3.1Å; I55-R58 PolarHBondContact O-N 3.37Å; I55-A59 WeakPolarHBondContact O-CB 3.27Å; I55-A59 PolarHBondContact O-N 3.43Å; I55-I80 HydrophobicContact CG2-CD1 3.59Å; I55-L106 HydrophobicContact CG2-CB 4.1Å; I55-L106 HydrophobicContact CG2-CD1 3.92Å; I55-D108 HydrophobicContact CD1-CB 3.41Å; I55-D108 VanDerWaalsContact CD1-CB 3.41Å
56	C	81.4	Confident	76.6	Confident	25 Å²	25	49.5 Å²	49.5	17%	0.169	29%	0.294	C	S	.	.	H	α-helix	trans	-59.9	-43	178.3	-68	0	0	0	0	111.6	T52 R53 R58 A59 C60 L69	T52-C56 WeakPolarHBondContact O-CB 3.45Å; T52-C56 PolarHBondContact O-N 2.9Å; T52-C56 PolarHBondContact O-SG 2.9Å; R53-C56 PolarHBondContact O-N 3Å; C56-R58 VanDerWaalsContact C-N 3.3Å; C56-R58 PolarHBondContact O-N 2.89Å; C56-A59 PolarHBondContact O-N 2.96Å; C56-C60 VanDerWaalsContact O-CB 3.3Å; C56-C60 WeakPolarHBondContact O-CB 3.21Å; C56-C60 PolarHBondContact O-N 2.99Å; C56-C60 PolarHBondContact O-SG 2.68Å; C56-C60 VanDerWaalsContact O-SG 3.38Å; C56-L69 HydrophobicContact CB-CD2 4.42Å
57	A	82.5	Confident	74.9	Confident	3 Å²	3	57.5 Å²	57.5	3%	0.025	32%	0.324	C	S	.	.	H	α-helix	trans	-58.4	-42.6	177.1	0	0	0	0	0	112	R53 L54 I55 N61 V214 V220	R53-A57 VanDerWaalsContact O-CB 3.3Å; R53-A57 WeakPolarHBondContact O-CB 3.29Å; R53-A57 PolarHBondContact O-N 2.86Å; L54-A57 PolarHBondContact O-N 2.82Å; I55-A57 VanDerWaalsContact C-N 3.33Å; I55-A57 PolarHBondContact O-N 3.1Å; A57-N61 PolarHBondContact O-N 3.13Å; A57-V214 HydrophobicContact CB-CB 4.5Å; A57-V214 HydrophobicContact CB-CG1 3.81Å; A57-V214 HydrophobicContact CB-CG2 4.07Å; A57-V220 HydrophobicContact CB-CG1 4.03Å; A57-V220 HydrophobicContact CB-CG2 4.28Å
58	R	84.9	Confident	73.6	Confident	31 Å²	31	58.3 Å²	58.3	12%	0.117	33%	0.325	C	S	.	.	H	α-helix	trans	-69.4	-45.9	176	176.7	58.5	173.9	166.1	-1.9	112.6	L54 I55 C56 C60 N61 D95 L106 V220 F224 D225	L54-R58 PolarHBondContact O-N 2.61Å; L54-R58 VanDerWaalsContact O-N 3.15Å; I55-R58 PolarHBondContact O-N 3.37Å; C56-R58 VanDerWaalsContact C-N 3.3Å; C56-R58 PolarHBondContact O-N 2.89Å; R58-C60 VanDerWaalsContact C-N 3.29Å; R58-C60 PolarHBondContact O-N 2.83Å; R58-N61 PolarHBondContact O-N 2.78Å; R58-D95 IonicContact CZ-OD2 2.7Å; R58-D95 IonicContact NH1-OD2 3.2Å; R58-D95 IonicContact NH2-OD2 3.87Å; R58-D95 PolarHBondContact NH2-OD2 3.26Å; R58-L106 HydrophobicContact CB-CD1 4.28Å; R58-L106 HydrophobicContact CG-CD1 4.04Å; R58-V220 HydrophobicContact CB-CG1 4.07Å; R58-F224 HydrophobicContact CB-CD2 3.54Å; R58-F224 HydrophobicContact CB-CE2 3.37Å; R58-F224 HydrophobicContact CB-CG 4.45Å; R58-F224 HydrophobicContact CB-CZ 4.15Å; R58-F224 HydrophobicContact CG-CB 4.43Å; R58-F224 HydrophobicContact CG-CD2 3.43Å; R58-F224 VanDerWaalsContact CG-CD2 3.43Å; R58-F224 HydrophobicContact CG-CE2 3.75Å; R58-F224 HydrophobicContact CG-CG 3.89Å; R58-F224 HydrophobicContact CG-CZ 4.43Å; R58-D225 IonicContact NH2-OD1 3.99Å
59	A	77.4	Confident	72.3	Confident	36 Å²	36	54.5 Å²	54.5	30%	0.298	29%	0.292	S	S	.	.	H	α-helix	trans	-65.8	-32.9	-177.2	0	0	0	0	0	112.6	I55 C56	I55-A59 WeakPolarHBondContact O-CB 3.27Å; I55-A59 PolarHBondContact O-N 3.43Å; C56-A59 PolarHBondContact O-N 2.96Å
60	C	70.3	Confident	70.7	Confident	34 Å²	34	58.3 Å²	58.3	23%	0.23	31%	0.312	C	S	.	.	H	α-helix	trans	-93.7	-8.3	-177.1	-61.9	0	0	0	0	113.8	C56 R58 A62 T63 L64	C56-C60 VanDerWaalsContact O-CB 3.3Å; C56-C60 WeakPolarHBondContact O-CB 3.21Å; C56-C60 PolarHBondContact O-N 2.99Å; C56-C60 PolarHBondContact O-SG 2.68Å; C56-C60 VanDerWaalsContact O-SG 3.38Å; R58-C60 VanDerWaalsContact C-N 3.29Å; R58-C60 PolarHBondContact O-N 2.83Å; C60-A62 VanDerWaalsContact C-N 3.27Å; C60-A62 PolarHBondContact O-N 3.05Å; C60-A62 VanDerWaalsContact O-N 3.08Å; C60-T63 WeakPolarHBondContact O-CB 3.46Å; C60-T63 PolarHBondContact O-N 2.91Å; C60-T63 PolarHBondContact O-OG1 2.89Å; C60-L64 HydrophobicContact CB-CD1 3.94Å; C60-L64 HydrophobicContact CB-CG 4.04Å; C60-L64 WeakPolarHBondContact SG-CD1 3.29Å
61	N	63.4	Low	68.9	Low	122 Å²	122	60.3 Å²	60.3	65%	0.652	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.8	50	175	-152.1	43.2	0	0	0	114	A57 R58 T63	A57-N61 PolarHBondContact O-N 3.13Å; R58-N61 PolarHBondContact O-N 2.78Å; N61-T63 PolarHBondContact O-N 3.29Å
62	A	55.1	Low	67.2	Low	73 Å²	73	62.7 Å²	62.7	60%	0.603	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	13.9	-178.7	0	0	0	0	0	118.3	C60 L64	C60-A62 VanDerWaalsContact C-N 3.27Å; C60-A62 PolarHBondContact O-N 3.05Å; C60-A62 VanDerWaalsContact O-N 3.08Å; A62-L64 VanDerWaalsContact C-N 3.31Å; A62-L64 PolarHBondContact O-N 3.16Å
63	T	49.6	Very low	65.4	Low	104 Å²	104	68.3 Å²	68.3	64%	0.638	37%	0.366	S	S	*	.			trans	-76.3	-13.8	174.3	52.1	0	0	0	0	114.6	C60 N61	C60-T63 WeakPolarHBondContact O-CB 3.46Å; C60-T63 PolarHBondContact O-N 2.91Å; C60-T63 PolarHBondContact O-OG1 2.89Å; N61-T63 PolarHBondContact O-N 3.29Å
64	L	56.3	Low	63.8	Low	52 Å²	52	66.6 Å²	66.6	27%	0.272	37%	0.367	S	S	.	.	S	Bend	trans	-102.3	133.2	178.8	-66.2	178.4	0	0	0	110.4	C60 A62 Q68 L69	C60-L64 HydrophobicContact CB-CD1 3.94Å; C60-L64 HydrophobicContact CB-CG 4.04Å; C60-L64 WeakPolarHBondContact SG-CD1 3.29Å; A62-L64 VanDerWaalsContact C-N 3.31Å; A62-L64 PolarHBondContact O-N 3.16Å; L64-Q68 HydrophobicContact CB-CB 4.11Å; L64-Q68 HydrophobicContact CD2-CB 4.14Å; L64-L69 HydrophobicContact CB-CD2 4.01Å; L64-L69 HydrophobicContact CB-CG 3.83Å; L64-L69 HydrophobicContact CD1-CD2 3.97Å
65	T	56.9	Low	61.9	Low	79 Å²	79	71 Å²	71	49%	0.485	40%	0.396	S	S	.	.			trans	-62	156.2	170.9	60.9	0	0	0	0	110.8	Y67 Q68 L69	T65-Y67 PolarHBondContact O-N 3.49Å; T65-Y67 VanDerWaalsContact O-N 3.15Å; T65-Q68 PolarHBondContact O-N 3Å; T65-Q68 VanDerWaalsContact OG1-CD 3.26Å; T65-Q68 VanDerWaalsContact OG1-CG 3.3Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.46Å; T65-Q68 PolarHBondContact OG1-N 2.78Å; T65-Q68 PolarHBondContact OG1-OE1 3.3Å; T65-L69 PolarHBondContact O-N 3.33Å
66	Q	56.8	Low	60.4	Low	118 Å²	118	72.4 Å²	72.4	55%	0.551	41%	0.405	S	S	*	.	H	α-helix	trans	-52.4	-37.7	176.9	-176.5	178.7	-16.2	0	0	112.4	L69 L70	Q66-L69 PolarHBondContact O-N 2.8Å; Q66-L70 HydrophobicContact CG-CD1 4.02Å; Q66-L70 WeakPolarHBondContact O-CB 3.3Å; Q66-L70 VanDerWaalsContact O-CG 3.24Å; Q66-L70 WeakPolarHBondContact O-CG 3.4Å; Q66-L70 PolarHBondContact O-N 2.83Å; Q66-L70 VanDerWaalsContact O-N 3.09Å
67	Y	56.8	Low	58.8	Low	187 Å²	187	76.3 Å²	76.3	73%	0.733	43%	0.428	S	S	*	.	H	α-helix	trans	-63.6	-45.5	175	-179.5	-100.2	0	0	0	112.1	T65 L69 L70 A71	T65-Y67 PolarHBondContact O-N 3.49Å; T65-Y67 VanDerWaalsContact O-N 3.15Å; Y67-L69 PolarHBondContact O-N 3.38Å; Y67-L70 PolarHBondContact O-N 3.22Å; Y67-A71 HydrophobicContact CE1-CB 4.29Å; Y67-A71 WeakPolarHBondContact O-CB 3.37Å; Y67-A71 PolarHBondContact O-N 3.02Å
68	Q	58	Low	57.1	Low	85 Å²	85	79.9 Å²	79.9	40%	0.397	44%	0.441	S	S	.	.	H	α-helix	trans	-66.2	-36.6	178.6	-71.3	164.3	-36.3	0	0	112.4	L64 T65 L70 T72	L64-Q68 HydrophobicContact CB-CB 4.11Å; L64-Q68 HydrophobicContact CD2-CB 4.14Å; T65-Q68 PolarHBondContact O-N 3Å; T65-Q68 VanDerWaalsContact OG1-CD 3.26Å; T65-Q68 VanDerWaalsContact OG1-CG 3.3Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.46Å; T65-Q68 PolarHBondContact OG1-N 2.78Å; T65-Q68 PolarHBondContact OG1-OE1 3.3Å; Q68-L70 VanDerWaalsContact C-N 3.31Å; Q68-L70 PolarHBondContact O-N 2.9Å; Q68-T72 WeakPolarHBondContact O-CB 3.44Å; Q68-T72 VanDerWaalsContact O-CG2 3.25Å; Q68-T72 WeakPolarHBondContact O-CG2 3.46Å; Q68-T72 PolarHBondContact O-N 3.12Å; Q68-T72 VanDerWaalsContact O-N 3.13Å; Q68-T72 PolarHBondContact O-OG1 3.38Å
69	L	58.7	Low	55.4	Low	15 Å²	15	80 Å²	80	8%	0.079	45%	0.448	C	S	.	.	H	α-helix	trans	-68.2	-27.8	173.5	-72.7	170.2	0	0	0	113.2	C56 L64 T65 Q66 Y67 T72 V214	C56-L69 HydrophobicContact CB-CD2 4.42Å; L64-L69 HydrophobicContact CB-CD2 4.01Å; L64-L69 HydrophobicContact CB-CG 3.83Å; L64-L69 HydrophobicContact CD1-CD2 3.97Å; T65-L69 PolarHBondContact O-N 3.33Å; Q66-L69 PolarHBondContact O-N 2.8Å; Y67-L69 PolarHBondContact O-N 3.38Å; L69-T72 PolarHBondContact O-OG1 3.21Å; L69-V214 HydrophobicContact CD1-CG1 4.39Å
70	L	57.3	Low	54.2	Low	82 Å²	82	80.2 Å²	80.2	43%	0.429	44%	0.444	S	S	.	.	H	α-helix	trans	-88.1	-30.7	177.8	-70.3	171.2	0	0	0	113.1	Q66 Y67 Q68	Q66-L70 HydrophobicContact CG-CD1 4.02Å; Q66-L70 WeakPolarHBondContact O-CB 3.3Å; Q66-L70 VanDerWaalsContact O-CG 3.24Å; Q66-L70 WeakPolarHBondContact O-CG 3.4Å; Q66-L70 PolarHBondContact O-N 2.83Å; Q66-L70 VanDerWaalsContact O-N 3.09Å; Y67-L70 PolarHBondContact O-N 3.22Å; Q68-L70 VanDerWaalsContact C-N 3.31Å; Q68-L70 PolarHBondContact O-N 2.9Å
71	A	51	Low	53.3	Low	56 Å²	56	81.1 Å²	81.1	46%	0.463	45%	0.447	S	S	.	.	H	α-helix	trans	-91.2	-10.6	-176.6	0	0	0	0	0	114.2	Y67 H73	Y67-A71 HydrophobicContact CE1-CB 4.29Å; Y67-A71 WeakPolarHBondContact O-CB 3.37Å; Y67-A71 PolarHBondContact O-N 3.02Å; A71-H73 VanDerWaalsContact C-N 3.34Å; A71-H73 PolarHBondContact O-N 3.38Å
72	T	52.4	Low	52.7	Low	62 Å²	62	81.1 Å²	81.1	38%	0.38	44%	0.443	S	S	.	.			trans	-66	91.5	176.7	25.2	0	0	0	0	110.1	Q68 L69 V74	Q68-T72 WeakPolarHBondContact O-CB 3.44Å; Q68-T72 VanDerWaalsContact O-CG2 3.25Å; Q68-T72 WeakPolarHBondContact O-CG2 3.46Å; Q68-T72 PolarHBondContact O-N 3.12Å; Q68-T72 VanDerWaalsContact O-N 3.13Å; Q68-T72 PolarHBondContact O-OG1 3.38Å; L69-T72 PolarHBondContact O-OG1 3.21Å; T72-V74 HydrophobicContact CG2-CG2 4.45Å; T72-V74 PolarHBondContact O-N 2.81Å
73	H	46.6	Very low	52.7	Low	152 Å²	152	78.2 Å²	78.2	70%	0.704	42%	0.416	S	S	*	.			trans	-77.8	60.6	173.4	-155.5	-79.8	0	0	0	109.4	A71 P75	A71-H73 VanDerWaalsContact C-N 3.34Å; A71-H73 PolarHBondContact O-N 3.38Å; H73-P75 WeakPolarHBondContact O-CD 3.39Å
74	V	51.3	Low	52.9	Low	76 Å²	76	81.9 Å²	81.9	46%	0.461	42%	0.418	S	S	.	.			trans	-76.7	110.6	177	-179.4	0	0	0	0	107.2	T72 T76	T72-V74 HydrophobicContact CG2-CG2 4.45Å; T72-V74 PolarHBondContact O-N 2.81Å; V74-T76 PolarHBondContact O-N 3.29Å
75	P	48.1	Very low	52.9	Low	93 Å²	93	85.7 Å²	85.7	60%	0.604	44%	0.444	S	S	*	.			trans	-61.1	132	173.1	-15.2	31	0	0	0	107.9	H73 V77	H73-P75 WeakPolarHBondContact O-CD 3.39Å; P75-V77 HydrophobicContact CB-CG2 4.25Å; P75-V77 PolarHBondContact O-N 3.12Å
76	T	52.9	Low	53.2	Low	35 Å²	35	84.1 Å²	84.1	22%	0.215	44%	0.435	C	S	.	.			trans	-69.2	47.2	-175.6	-49.2	0	0	0	0	112.5	V74 W78 D108 F110	V74-T76 PolarHBondContact O-N 3.29Å; T76-W78 PolarHBondContact O-N 2.97Å; T76-D108 HydrophobicContact CG2-CB 4.44Å; T76-F110 VanDerWaalsContact C-CZ 3.41Å; T76-F110 HydrophobicContact CG2-CD1 4.04Å; T76-F110 HydrophobicContact CG2-CE1 4.24Å; T76-F110 HydrophobicContact CG2-CG 4.24Å; T76-F110 WeakPolarHBondContact O-CD2 3.44Å; T76-F110 WeakPolarHBondContact O-CE1 3.45Å; T76-F110 WeakPolarHBondContact O-CE2 3.49Å; T76-F110 WeakPolarHBondContact O-CZ 3.45Å
77	V	47.8	Very low	53.8	Low	107 Å²	107	85.3 Å²	85.3	65%	0.648	44%	0.441	S	S	*	.			trans	-78.6	116.8	179.4	-178.9	0	0	0	0	109.2	P75	P75-V77 HydrophobicContact CB-CG2 4.25Å; P75-V77 PolarHBondContact O-N 3.12Å
78	W	47.7	Very low	54.2	Low	78 Å²	78	81.7 Å²	81.7	30%	0.295	43%	0.43	S	S	.	.	S	Bend	trans	16.6	115	150.7	-74.9	81.4	0	0	0	118	T76 F110 D116 R117 F119 A120	T76-W78 PolarHBondContact O-N 2.97Å; W78-F110 AromaticContact NE1-CD2 3.98Å; W78-D116 HydrophobicContact CH2-CB 4.37Å; W78-D116 WeakPolarHBondContact CH2-O 3.45Å; W78-D116 HydrophobicContact CZ2-CB 3.34Å; W78-D116 WeakPolarHBondContact CZ2-O 3.39Å; W78-R117 VanDerWaalsContact CH2-CA 3.45Å; W78-R117 VanDerWaalsContact CZ2-CA 3.47Å; W78-R117 VanDerWaalsContact CZ2-N 3.25Å; W78-F119 HydrophobicContact CE3-CB 4.47Å; W78-F119 HydrophobicContact CH2-CB 3.9Å; W78-F119 HydrophobicContact CZ3-CB 3.5Å; W78-A120 HydrophobicContact CH2-CB 4.01Å; W78-A120 HydrophobicContact CZ3-CB 4.13Å
79	A	48.9	Very low	54.6	Low	33 Å²	33	79.2 Å²	79.2	27%	0.273	42%	0.421	S	S	.	.			trans	60.1	106.1	164	0	0	0	0	0	114.8	D81 W107	A79-D81 HydrophobicContact CB-CB 4.37Å; A79-D81 PolarHBondContact O-N 2.94Å; A79-W107 HydrophobicContact CB-CE3 3.88Å; A79-W107 HydrophobicContact CB-CH2 3.76Å; A79-W107 HydrophobicContact CB-CZ2 4.41Å; A79-W107 HydrophobicContact CB-CZ3 3.47Å; A79-W107 VanDerWaalsContact CB-CZ3 3.47Å
80	I	52.6	Low	55.3	Low	42 Å²	42	80.6 Å²	80.6	22%	0.215	43%	0.428	C	S	.	.			trans	-66.7	79.8	143.7	-48.8	168.3	0	0	0	104.9	I55 Q82 Y83 V89 L106	I55-I80 HydrophobicContact CG2-CD1 3.59Å; I80-Q82 VanDerWaalsContact C-N 3.31Å; I80-Q82 HydrophobicContact CG2-CB 4.35Å; I80-Y83 HydrophobicContact CB-CD2 4.33Å; I80-Y83 HydrophobicContact CB-CE2 3.71Å; I80-Y83 HydrophobicContact CG2-CD2 3.74Å; I80-Y83 HydrophobicContact CG2-CE1 4.39Å; I80-Y83 HydrophobicContact CG2-CE2 3.26Å; I80-Y83 HydrophobicContact CG2-CG 4.46Å; I80-Y83 WeakPolarHBondContact O-CD2 2.97Å; I80-Y83 WeakPolarHBondContact O-CE2 3.34Å; I80-V89 HydrophobicContact CG2-CG1 4.24Å; I80-L106 WeakPolarHBondContact CB-O 3.25Å; I80-L106 HydrophobicContact CD1-CB 4.25Å
81	D	51.3	Low	56.1	Low	53 Å²	53	81.7 Å²	81.7	28%	0.283	43%	0.431	S	S	.	.			trans	-104.8	21.8	152	-154.4	27.3	0	0	0	109.7	A79 Y83 R84	A79-D81 HydrophobicContact CB-CB 4.37Å; A79-D81 PolarHBondContact O-N 2.94Å; D81-Y83 PolarHBondContact O-N 3Å; D81-Y83 VanDerWaalsContact O-N 3.17Å; D81-R84 PolarHBondContact O-N 3.12Å; D81-R84 VanDerWaalsContact O-N 3.12Å; D81-R84 WeakPolarHBondContact OD1-CG 3.49Å; D81-R84 WeakPolarHBondContact OD2-CD 3.36Å
82	Q	51.2	Low	57.2	Low	121 Å²	121	86.1 Å²	86.1	57%	0.565	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-58.3	-16.3	158.7	-71.8	-167.3	-9.5	0	0	111.5	I80 R84 V85 C86	I80-Q82 VanDerWaalsContact C-N 3.31Å; I80-Q82 HydrophobicContact CG2-CB 4.35Å; Q82-R84 PolarHBondContact O-N 2.83Å; Q82-R84 VanDerWaalsContact O-N 3.17Å; Q82-V85 CarbonylContact O-C 3.5Å; Q82-V85 PolarHBondContact O-N 2.87Å; Q82-C86 PolarHBondContact O-N 2.85Å
83	Y	53.6	Low	58.5	Low	12 Å²	12	83.6 Å²	83.6	5%	0.047	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-56.6	-26.2	170.8	-60.6	-74.4	0	0	0	113.1	I80 D81 V89 S93 R105 L106	I80-Y83 HydrophobicContact CB-CD2 4.33Å; I80-Y83 HydrophobicContact CB-CE2 3.71Å; I80-Y83 HydrophobicContact CG2-CD2 3.74Å; I80-Y83 HydrophobicContact CG2-CE1 4.39Å; I80-Y83 HydrophobicContact CG2-CE2 3.26Å; I80-Y83 HydrophobicContact CG2-CG 4.46Å; I80-Y83 WeakPolarHBondContact O-CD2 2.97Å; I80-Y83 WeakPolarHBondContact O-CE2 3.34Å; D81-Y83 PolarHBondContact O-N 3Å; D81-Y83 VanDerWaalsContact O-N 3.17Å; Y83-V89 HydrophobicContact CD1-CG1 3.58Å; Y83-V89 WeakPolarHBondContact CD1-O 3.43Å; Y83-V89 HydrophobicContact CE1-CG1 3.53Å; Y83-V89 WeakPolarHBondContact CE1-O 3.23Å; Y83-V89 HydrophobicContact CG-CG1 4.28Å; Y83-S93 VanDerWaalsContact CE1-CB 3.49Å; Y83-R105 HydrophobicContact CD2-CB 4.12Å; Y83-R105 HydrophobicContact CD2-CG 4.09Å; Y83-R105 HydrophobicContact CE2-CB 4.02Å; Y83-R105 HydrophobicContact CE2-CG 4.38Å; Y83-R105 HydrophobicContact CG-CG 4.39Å; Y83-L106 PolarHBondContact OH-N 2.92Å
84	R	53.8	Low	60.4	Low	181 Å²	181	82.7 Å²	82.7	68%	0.683	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-84.5	-14.8	174.7	-66	-176.1	85.1	-169.7	2.9	113.7	D81 Q82	D81-R84 PolarHBondContact O-N 3.12Å; D81-R84 VanDerWaalsContact O-N 3.12Å; D81-R84 WeakPolarHBondContact OD1-CG 3.49Å; D81-R84 WeakPolarHBondContact OD2-CD 3.36Å; Q82-R84 PolarHBondContact O-N 2.83Å; Q82-R84 VanDerWaalsContact O-N 3.17Å
85	V	56.3	Low	62.1	Low	133 Å²	133	81.3 Å²	81.3	81%	0.806	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	-28.3	-169.9	-174.9	0	0	0	0	112.2	Q82	Q82-V85 CarbonylContact O-C 3.5Å; Q82-V85 PolarHBondContact O-N 2.87Å
86	C	64.7	Low	64.1	Low	45 Å²	45	81 Å²	81	30%	0.304	40%	0.398	S	S	.	.			trans	-121.5	110.6	-176.9	-174.7	0	0	0	0	110.7	Q82 E88 V89 L90	Q82-C86 PolarHBondContact O-N 2.85Å; C86-E88 VanDerWaalsContact C-N 3.32Å; C86-E88 PolarHBondContact O-N 3.06Å; C86-V89 HydrophobicContact CB-CB 4.17Å; C86-V89 HydrophobicContact CB-CG2 3.97Å; C86-V89 PolarHBondContact O-N 2.74Å; C86-L90 PolarHBondContact O-N 2.74Å
87	Q	67.8	Low	65.9	Low	143 Å²	143	79.5 Å²	79.5	67%	0.668	39%	0.388	S	S	*	.	H	α-helix	trans	-63.5	-35.6	-176.9	-170.1	165.6	-19.2	0	0	112.8	V89 L90 E91	Q87-V89 VanDerWaalsContact C-N 3.33Å; Q87-V89 PolarHBondContact O-N 3.17Å; Q87-L90 WeakPolarHBondContact O-CB 3.07Å; Q87-L90 PolarHBondContact O-N 3.03Å; Q87-E91 PolarHBondContact NE2-OE1 3.33Å; Q87-E91 WeakPolarHBondContact O-CG 3.21Å; Q87-E91 PolarHBondContact O-N 2.84Å
88	E	66.6	Low	68	Low	111 Å²	111	75.8 Å²	75.8	52%	0.519	37%	0.365	S	S	.	.	H	α-helix	trans	-62	-39.5	175.6	-65.9	-174.4	-161.7	0	0	112.8	C86 L90 E91 R92	C86-E88 VanDerWaalsContact C-N 3.32Å; C86-E88 PolarHBondContact O-N 3.06Å; E88-L90 VanDerWaalsContact C-N 3.35Å; E88-E91 PolarHBondContact O-N 3.3Å; E88-R92 WeakPolarHBondContact O-CB 3.36Å; E88-R92 VanDerWaalsContact O-CG 3.3Å; E88-R92 WeakPolarHBondContact O-CG 3.41Å; E88-R92 PolarHBondContact O-N 3.03Å; E88-R92 IonicContact OE2-CZ 2.66Å; E88-R92 IonicContact OE2-NH1 2.75Å; E88-R92 PolarHBondContact OE2-NH1 3.47Å; E88-R92 IonicContact OE2-NH2 3.11Å; E88-R92 PolarHBondContact OE2-NH2 3.48Å; E88-R92 VanDerWaalsContact OE2-NH2 3.09Å
89	V	67	Low	69.9	Low	33 Å²	33	79.3 Å²	79.3	20%	0.2	39%	0.39	C	S	.	.	H	α-helix	trans	-70.4	-36.1	179.3	177.7	0	0	0	0	110.2	I80 Y83 C86 Q87 S93	I80-V89 HydrophobicContact CG2-CG1 4.24Å; Y83-V89 HydrophobicContact CD1-CG1 3.58Å; Y83-V89 WeakPolarHBondContact CD1-O 3.43Å; Y83-V89 HydrophobicContact CE1-CG1 3.53Å; Y83-V89 WeakPolarHBondContact CE1-O 3.23Å; Y83-V89 HydrophobicContact CG-CG1 4.28Å; C86-V89 HydrophobicContact CB-CB 4.17Å; C86-V89 HydrophobicContact CB-CG2 3.97Å; C86-V89 PolarHBondContact O-N 2.74Å; Q87-V89 VanDerWaalsContact C-N 3.33Å; Q87-V89 PolarHBondContact O-N 3.17Å; V89-S93 PolarHBondContact O-N 3.46Å; V89-S93 VanDerWaalsContact O-N 3.17Å
90	L	71.5	Confident	71.9	Confident	44 Å²	44	78 Å²	78	23%	0.23	38%	0.378	C	S	.	.	H	α-helix	trans	-66	-42.9	172.6	-174.9	65.9	0	0	0	112.3	C86 Q87 E88 S93	C86-L90 PolarHBondContact O-N 2.74Å; Q87-L90 WeakPolarHBondContact O-CB 3.07Å; Q87-L90 PolarHBondContact O-N 3.03Å; E88-L90 VanDerWaalsContact C-N 3.35Å; L90-S93 WeakPolarHBondContact O-CB 3.32Å; L90-S93 PolarHBondContact O-N 3.45Å; L90-S93 PolarHBondContact O-OG 3.18Å
91	E	74.8	Confident	73.8	Confident	105 Å²	105	78.7 Å²	78.7	49%	0.491	39%	0.386	S	S	.	.	H	α-helix	trans	-63.5	-44.9	177.4	-75	173.4	-174.1	0	0	111.6	Q87 E88 S93 R94	Q87-E91 PolarHBondContact NE2-OE1 3.33Å; Q87-E91 WeakPolarHBondContact O-CG 3.21Å; Q87-E91 PolarHBondContact O-N 2.84Å; E88-E91 PolarHBondContact O-N 3.3Å; E91-S93 PolarHBondContact O-N 2.73Å; E91-R94 PolarHBondContact O-N 3.21Å
92	R	74.1	Confident	75.7	Confident	149 Å²	149	76.2 Å²	76.2	56%	0.562	37%	0.373	S	S	*	.	H	α-helix	trans	-65.4	-17.6	174.9	-68.7	177.3	-172.9	124.2	8.6	113.8	E88 R94	E88-R92 WeakPolarHBondContact O-CB 3.36Å; E88-R92 VanDerWaalsContact O-CG 3.3Å; E88-R92 WeakPolarHBondContact O-CG 3.41Å; E88-R92 PolarHBondContact O-N 3.03Å; E88-R92 IonicContact OE2-CZ 2.66Å; E88-R92 IonicContact OE2-NH1 2.75Å; E88-R92 PolarHBondContact OE2-NH1 3.47Å; E88-R92 IonicContact OE2-NH2 3.11Å; E88-R92 PolarHBondContact OE2-NH2 3.48Å; E88-R92 VanDerWaalsContact OE2-NH2 3.09Å; R92-R94 VanDerWaalsContact C-N 3.33Å
93	S	79.4	Confident	77.6	Confident	9 Å²	9	70.7 Å²	70.7	6%	0.063	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-17	176.7	84.5	0	0	0	0	114	Y83 V89 L90 E91 S103 L104	Y83-S93 VanDerWaalsContact CE1-CB 3.49Å; V89-S93 PolarHBondContact O-N 3.46Å; V89-S93 VanDerWaalsContact O-N 3.17Å; L90-S93 WeakPolarHBondContact O-CB 3.32Å; L90-S93 PolarHBondContact O-N 3.45Å; L90-S93 PolarHBondContact O-OG 3.18Å; E91-S93 PolarHBondContact O-N 2.73Å; S93-S103 PolarHBondContact OG-OG 2.88Å; S93-L104 WeakPolarHBondContact CB-O 3.4Å; S93-L104 PolarHBondContact O-N 2.83Å
94	R	86.5	Confident	79.3	Confident	134 Å²	134	70.3 Å²	70.3	51%	0.506	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.4	-175.6	-66	176.2	178.5	179.2	-1.4	109.7	E91 R92 V102	E91-R94 PolarHBondContact O-N 3.21Å; R92-R94 VanDerWaalsContact C-N 3.33Å; R94-V102 WeakPolarHBondContact CA-O 3.4Å
95	D	86.7	Confident	80.9	Confident	46 Å²	46	65.1 Å²	65.1	25%	0.246	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	169.9	177.2	-152.2	-14.3	0	0	0	110.3	R58 V102	R58-D95 IonicContact CZ-OD2 2.7Å; R58-D95 IonicContact NH1-OD2 3.2Å; R58-D95 IonicContact NH2-OD2 3.87Å; R58-D95 PolarHBondContact NH2-OD2 3.26Å; D95-V102 HydrophobicContact CB-CG2 4.05Å; D95-V102 PolarHBondContact N-O 2.77Å; D95-V102 WeakPolarHBondContact O-CG2 3.21Å; D95-V102 PolarHBondContact O-N 3.41Å
96	V	90.5	Very high	82.4	Confident	87 Å²	87	59 Å²	59	53%	0.527	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	116.7	173	-178.4	0	0	0	0	108.6	V100	V96-V100 WeakPolarHBondContact CA-O 3.5Å
97	V	91.3	Very high	83.4	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	121.8	178.4	-179.7	0	0	0	0	109.1	D99 V100 V102 I228 R229	V97-D99 VanDerWaalsContact C-N 3.3Å; V97-D99 PolarHBondContact O-N 2.92Å; V97-V100 PolarHBondContact N-O 2.86Å; V97-V100 WeakPolarHBondContact O-CB 3.29Å; V97-V100 PolarHBondContact O-N 2.82Å; V97-V102 HydrophobicContact CG2-CG2 4.33Å; V97-I228 HydrophobicContact CB-CG2 3.79Å; V97-I228 HydrophobicContact CG1-CG2 3.99Å; V97-I228 HydrophobicContact CG2-CB 4.35Å; V97-I228 HydrophobicContact CG2-CD1 3.93Å; V97-I228 HydrophobicContact CG2-CG2 3.86Å; V97-R229 HydrophobicContact CG1-CG 3.86Å
98	D	91.1	Very high	84.1	Confident	29 Å²	29	53 Å²	53	16%	0.155	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	48.5	-178.5	-53.5	-14.1	0	0	0	112.6	V100 R229 Q249	D98-V100 PolarHBondContact O-N 2.85Å; D98-R229 IonicContact OD1-CZ 3.85Å; D98-R229 IonicContact OD1-NE 2.83Å; D98-R229 PolarHBondContact OD1-NE 2.83Å; D98-R229 VanDerWaalsContact OD1-NE 3.08Å; D98-R229 IonicContact OD1-NH2 3.48Å; D98-R229 PolarHBondContact OD1-NH2 2.79Å; D98-R229 WeakPolarHBondContact OD2-CD 3.08Å; D98-R229 WeakPolarHBondContact OD2-CG 3.17Å; D98-R229 IonicContact OD2-CZ 3.94Å; D98-R229 IonicContact OD2-NE 2.72Å; D98-R229 PolarHBondContact OD2-NE 3.2Å; D98-Q249 WeakPolarHBondContact OD2-CB 3.3Å; D98-Q249 PolarHBondContact OD2-N 3.37Å
99	D	88.9	Confident	84.8	Confident	153 Å²	153	47.8 Å²	47.8	82%	0.818	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	14	-176.8	-54	-43.3	0	0	0	115.5	V97	V97-D99 VanDerWaalsContact C-N 3.3Å; V97-D99 PolarHBondContact O-N 2.92Å
100	V	90.1	Very high	85.2	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.2	174.2	-175.3	0	0	0	0	109.8	E37 V96 V97 D98 V102 L232 L245 V248	E37-V100 HydrophobicContact CB-CG1 4.35Å; E37-V100 HydrophobicContact CG-CG1 3.94Å; V96-V100 WeakPolarHBondContact CA-O 3.5Å; V97-V100 PolarHBondContact N-O 2.86Å; V97-V100 WeakPolarHBondContact O-CB 3.29Å; V97-V100 PolarHBondContact O-N 2.82Å; D98-V100 PolarHBondContact O-N 2.85Å; V100-V102 HydrophobicContact CG1-CG1 4.06Å; V100-V102 PolarHBondContact O-N 2.97Å; V100-L232 HydrophobicContact CB-CD1 4.1Å; V100-L232 HydrophobicContact CG1-CD1 4.05Å; V100-L232 HydrophobicContact CG1-CD2 4.44Å; V100-L232 HydrophobicContact CG2-CD1 4.41Å; V100-L245 HydrophobicContact CG1-CD2 4.05Å; V100-L245 HydrophobicContact CG2-CD2 4.17Å; V100-V248 HydrophobicContact CG2-CG2 3.79Å
101	S	92.1	Very high	84.9	Confident	57 Å²	57	46.6 Å²	46.6	40%	0.399	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	121.9	169.9	-65.1	0	0	0	0	110	V36 E37	V36-S101 WeakPolarHBondContact CA-O 3.43Å; E37-S101 PolarHBondContact N-O 3.35Å
102	V	91.9	Very high	84.4	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	152	-177.8	-61.9	0	0	0	0	111.7	E37 I39 R94 D95 V97 V100 I228 L232	E37-V102 HydrophobicContact CB-CG1 4.26Å; E37-V102 CarbonylContact O-C 3.58Å; E37-V102 VanDerWaalsContact O-CA 3.24Å; E37-V102 WeakPolarHBondContact O-CA 3.36Å; I39-V102 HydrophobicContact CD1-CB 4.17Å; I39-V102 HydrophobicContact CD1-CG1 3.86Å; R94-V102 WeakPolarHBondContact CA-O 3.4Å; D95-V102 HydrophobicContact CB-CG2 4.05Å; D95-V102 PolarHBondContact N-O 2.77Å; D95-V102 WeakPolarHBondContact O-CG2 3.21Å; D95-V102 PolarHBondContact O-N 3.41Å; V97-V102 HydrophobicContact CG2-CG2 4.33Å; V100-V102 HydrophobicContact CG1-CG1 4.06Å; V100-V102 PolarHBondContact O-N 2.97Å; V102-I228 HydrophobicContact CG1-CG2 3.95Å; V102-I228 HydrophobicContact CG2-CD1 4.05Å; V102-I228 HydrophobicContact CG2-CG2 4.24Å; V102-L232 HydrophobicContact CG1-CD1 4.07Å; V102-L232 HydrophobicContact CG1-CD2 4.47Å
103	S	90.7	Very high	84.1	Confident	5 Å²	5	44 Å²	44	4%	0.035	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	108.2	165.3	174.2	0	0	0	0	108.6	E37 T38 I39 S93	E37-S103 PolarHBondContact O-N 3.07Å; T38-S103 WeakPolarHBondContact CA-O 3.5Å; I39-S103 PolarHBondContact N-O 3.43Å; S93-S103 PolarHBondContact OG-OG 2.88Å
104	L	89.8	Confident	83.4	Confident	5 Å²	5	47.9 Å²	47.9	3%	0.026	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	111.9	-176.8	-179	67	0	0	0	110.6	I39 C41 S93 L106 F224 I228	I39-L104 HydrophobicContact CB-CD1 4.38Å; I39-L104 HydrophobicContact CG2-CD1 4.09Å; C41-L104 HydrophobicContact CB-CD1 3.59Å; S93-L104 WeakPolarHBondContact CB-O 3.4Å; S93-L104 PolarHBondContact O-N 2.83Å; L104-L106 HydrophobicContact CD1-CD2 4.4Å; L104-L106 HydrophobicContact CD2-CD2 3.83Å; L104-L106 HydrophobicContact CD2-CG 4.41Å; L104-L106 HydrophobicContact CG-CD2 3.93Å; L104-L106 HydrophobicContact CG-CG 4.36Å; L104-F224 HydrophobicContact CD2-CB 3.99Å; L104-F224 HydrophobicContact CD2-CD1 4.01Å; L104-F224 HydrophobicContact CD2-CG 4.21Å; L104-I228 HydrophobicContact CB-CD1 4.36Å; L104-I228 HydrophobicContact CD1-CD1 4.3Å; L104-I228 HydrophobicContact CD1-CG1 3.97Å; L104-I228 HydrophobicContact CD2-CD1 4.1Å; L104-I228 HydrophobicContact CG-CD1 4.49Å
105	R	88.1	Confident	82.2	Confident	71 Å²	71	49.4 Å²	49.4	27%	0.268	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114	175.5	-58.9	-170.9	-170.6	-171.3	6.9	110	T38 I39 C41 Y83	T38-R105 HydrophobicContact CG2-CG 4.32Å; I39-R105 PolarHBondContact O-N 2.84Å; C41-R105 PolarHBondContact N-O 3.1Å; Y83-R105 HydrophobicContact CD2-CB 4.12Å; Y83-R105 HydrophobicContact CD2-CG 4.09Å; Y83-R105 HydrophobicContact CE2-CB 4.02Å; Y83-R105 HydrophobicContact CE2-CG 4.38Å; Y83-R105 HydrophobicContact CG-CG 4.39Å
106	L	86.6	Confident	81.3	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.5	-177.1	-62.5	175.7	0	0	0	111.4	C41 I55 R58 I80 Y83 L104 F224	C41-L106 HydrophobicContact CB-CD2 4.13Å; I55-L106 HydrophobicContact CG2-CB 4.1Å; I55-L106 HydrophobicContact CG2-CD1 3.92Å; R58-L106 HydrophobicContact CB-CD1 4.28Å; R58-L106 HydrophobicContact CG-CD1 4.04Å; I80-L106 WeakPolarHBondContact CB-O 3.25Å; I80-L106 HydrophobicContact CD1-CB 4.25Å; Y83-L106 PolarHBondContact OH-N 2.92Å; L104-L106 HydrophobicContact CD1-CD2 4.4Å; L104-L106 HydrophobicContact CD2-CD2 3.83Å; L104-L106 HydrophobicContact CD2-CG 4.41Å; L104-L106 HydrophobicContact CG-CD2 3.93Å; L104-L106 HydrophobicContact CG-CG 4.36Å; L106-F224 HydrophobicContact CD2-CD1 3.74Å; L106-F224 HydrophobicContact CD2-CE1 3.38Å; L106-F224 HydrophobicContact CD2-CZ 4.15Å
107	W	85.9	Confident	80.7	Confident	41 Å²	41	46.3 Å²	46.3	16%	0.155	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	110.3	177.6	-72.1	66.3	0	0	0	109.5	K40 C41 V42 V43 A79 A120	K40-W107 HydrophobicContact CG-CG 4.45Å; C41-W107 PolarHBondContact O-N 2.8Å; V42-W107 HydrophobicContact CB-CB 4.41Å; V42-W107 HydrophobicContact CG1-CB 4.47Å; V42-W107 HydrophobicContact CG2-CB 4.01Å; V42-W107 HydrophobicContact CG2-CG 4.39Å; V43-W107 PolarHBondContact N-O 3.43Å; A79-W107 HydrophobicContact CB-CE3 3.88Å; A79-W107 HydrophobicContact CB-CH2 3.76Å; A79-W107 HydrophobicContact CB-CZ2 4.41Å; A79-W107 HydrophobicContact CB-CZ3 3.47Å; A79-W107 VanDerWaalsContact CB-CZ3 3.47Å; W107-A120 HydrophobicContact CE3-CB 4.41Å
108	D	83.5	Confident	80	Confident	22 Å²	22	52.5 Å²	52.5	12%	0.118	25%	0.251	C	S	.	.			trans	-80.2	148.6	171.8	-158.5	3.3	0	0	0	110.9	T52 I55 T76	T52-D108 WeakPolarHBondContact CA-OD2 3.43Å; T52-D108 VanDerWaalsContact CB-OD2 3.25Å; T52-D108 WeakPolarHBondContact CB-OD2 3.27Å; T52-D108 WeakPolarHBondContact CG2-OD2 3.23Å; T52-D108 PolarHBondContact OG1-OD2 3.27Å; I55-D108 HydrophobicContact CD1-CB 3.41Å; I55-D108 VanDerWaalsContact CD1-CB 3.41Å; T76-D108 HydrophobicContact CG2-CB 4.44Å
109	T	80.4	Confident	79.4	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.012	28%	0.277	C	S	.	.			trans	-135.8	148	-179.5	65.6	0	0	0	0	112.2	V42 V43 V44 K51 A120	V42-T109 HydrophobicContact CG1-CG2 3.87Å; V43-T109 PolarHBondContact O-OG1 3.42Å; V44-T109 WeakPolarHBondContact CA-OG1 3.47Å; V44-T109 HydrophobicContact CG1-CG2 3.92Å; V44-T109 VanDerWaalsContact CG1-OG1 3.31Å; V44-T109 WeakPolarHBondContact CG1-OG1 3.38Å; K51-T109 WeakPolarHBondContact CE-O 3.24Å; K51-T109 PolarHBondContact NZ-O 3.19Å; T109-A120 HydrophobicContact CG2-CB 3.72Å
110	F	75	Confident	79.1	Confident	50 Å²	50	51.4 Å²	51.4	22%	0.219	24%	0.239	C	C	.	.			trans	-74.2	142.3	170.8	-71.8	-77.3	0	0	0	111.7	T76 W78 H113	T76-F110 VanDerWaalsContact C-CZ 3.41Å; T76-F110 HydrophobicContact CG2-CD1 4.04Å; T76-F110 HydrophobicContact CG2-CE1 4.24Å; T76-F110 HydrophobicContact CG2-CG 4.24Å; T76-F110 WeakPolarHBondContact O-CD2 3.44Å; T76-F110 WeakPolarHBondContact O-CE1 3.45Å; T76-F110 WeakPolarHBondContact O-CE2 3.49Å; T76-F110 WeakPolarHBondContact O-CZ 3.45Å; W78-F110 AromaticContact NE1-CD2 3.98Å; F110-H113 HydrophobicContact CB-CB 3.84Å; F110-H113 AromaticContact CD1-CD2 3.86Å; F110-H113 HydrophobicContact CD2-CB 4.44Å; F110-H113 HydrophobicContact CG-CB 4.35Å; F110-H113 AromaticContact CG-CD2 3.72Å
111	G	64.7	Low	78.9	Confident	2 Å²	2	51.4 Å²	51.4	2%	0.021	24%	0.238	C	C	.	.	S	Bend	trans	-71.7	-41	174.6	0	0	0	0	0	113.2	G45 N47 R117 W146	G45-G111 WeakPolarHBondContact O-CA 3.33Å; N47-G111 WeakPolarHBondContact OD1-CA 3.34Å; N47-G111 PolarHBondContact OD1-N 2.98Å; G111-R117 PolarHBondContact O-NH1 2.86Å; G111-W146 VanDerWaalsContact O-CH2 3.26Å; G111-W146 WeakPolarHBondContact O-CH2 3.48Å; G111-W146 WeakPolarHBondContact O-CZ2 3.44Å
112	D	65.7	Low	78.5	Confident	109 Å²	109	50.6 Å²	50.6	58%	0.583	24%	0.239	S	C	*	.	S	Bend	trans	-102	-1.5	-169	-64.9	-5.6	0	0	0	114.5	N47 H114	N47-D112 PolarHBondContact ND2-OD1 2.91Å; N47-D112 PolarHBondContact ND2-OD2 2.97Å; D112-H114 PolarHBondContact O-N 3.01Å
113	H	67.7	Low	78.2	Confident	91 Å²	91	62 Å²	62	42%	0.421	28%	0.282	S	S	.	.			trans	-100.5	78.7	-177.3	-69	-93.2	0	0	0	112.7	F110 K115 D116 R117	F110-H113 HydrophobicContact CB-CB 3.84Å; F110-H113 AromaticContact CD1-CD2 3.86Å; F110-H113 HydrophobicContact CD2-CB 4.44Å; F110-H113 HydrophobicContact CG-CB 4.35Å; F110-H113 AromaticContact CG-CD2 3.72Å; H113-K115 PolarHBondContact O-N 3.08Å; H113-D116 HydrophobicContact CB-CB 4.4Å; H113-D116 IonicContact ND1-OD2 3.77Å; H113-D116 PolarHBondContact O-N 2.78Å; H113-R117 WeakPolarHBondContact O-CG 3.39Å; H113-R117 PolarHBondContact O-N 2.69Å; H113-R117 VanDerWaalsContact O-N 3.13Å
114	H	63.8	Low	78.3	Confident	90 Å²	90	62.5 Å²	62.5	42%	0.417	29%	0.285	S	S	.	.	H	α-helix	trans	-58	-40.1	-174	-71.5	-94.9	0	0	0	115.7	D112 R117 R118	D112-H114 PolarHBondContact O-N 3.01Å; H114-R117 PolarHBondContact CE1-NH2 3.34Å; H114-R117 VanDerWaalsContact ND1-CZ 3.26Å; H114-R117 PolarHBondContact ND1-NH1 2.82Å; H114-R117 PolarHBondContact ND1-NH2 2.99Å; H114-R118 WeakPolarHBondContact O-CG 3.33Å
115	K	62.2	Low	78.5	Confident	166 Å²	166	64.4 Å²	64.4	72%	0.722	30%	0.296	S	S	*	.	H	α-helix	trans	-71.1	-43.9	-177.3	-73.1	-174.6	-180	178.5	0	111	H113	H113-K115 PolarHBondContact O-N 3.08Å
116	D	66.5	Low	78.9	Confident	67 Å²	67	61 Å²	61	36%	0.358	28%	0.283	S	S	.	.	H	α-helix	trans	-68.5	-53.8	-175.4	-51.9	-39.1	0	0	0	108.3	W78 H113 R118 F119	W78-D116 HydrophobicContact CH2-CB 4.37Å; W78-D116 WeakPolarHBondContact CH2-O 3.45Å; W78-D116 HydrophobicContact CZ2-CB 3.34Å; W78-D116 WeakPolarHBondContact CZ2-O 3.39Å; H113-D116 HydrophobicContact CB-CB 4.4Å; H113-D116 IonicContact ND1-OD2 3.77Å; H113-D116 PolarHBondContact O-N 2.78Å; D116-R118 PolarHBondContact O-N 3.2Å; D116-F119 WeakPolarHBondContact O-CD2 3.35Å; D116-F119 PolarHBondContact O-N 3.46Å
117	R	78.6	Confident	79.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-55.9	-20.7	-169.1	71.6	-175.9	-176.9	-129.6	15.7	115.9	W78 G111 H113 H114 F119 A120 E149	W78-R117 VanDerWaalsContact CH2-CA 3.45Å; W78-R117 VanDerWaalsContact CZ2-CA 3.47Å; W78-R117 VanDerWaalsContact CZ2-N 3.25Å; G111-R117 PolarHBondContact O-NH1 2.86Å; H113-R117 WeakPolarHBondContact O-CG 3.39Å; H113-R117 PolarHBondContact O-N 2.69Å; H113-R117 VanDerWaalsContact O-N 3.13Å; H114-R117 PolarHBondContact CE1-NH2 3.34Å; H114-R117 VanDerWaalsContact ND1-CZ 3.26Å; H114-R117 PolarHBondContact ND1-NH1 2.82Å; H114-R117 PolarHBondContact ND1-NH2 2.99Å; R117-F119 VanDerWaalsContact C-N 3.27Å; R117-F119 PolarHBondContact O-N 3.3Å; R117-A120 WeakPolarHBondContact O-CB 3.34Å; R117-A120 PolarHBondContact O-N 3.09Å; R117-A120 VanDerWaalsContact O-N 3.09Å; R117-E149 IonicContact CZ-OE1 3.22Å; R117-E149 IonicContact CZ-OE2 3.14Å; R117-E149 IonicContact NE-OE1 3.76Å; R117-E149 PolarHBondContact NE-OE1 3.49Å; R117-E149 IonicContact NE-OE2 3.09Å; R117-E149 PolarHBondContact NE-OE2 3.15Å; R117-E149 IonicContact NH2-OE1 3.61Å; R117-E149 IonicContact NH2-OE2 3.59Å; R117-E149 PolarHBondContact NH2-OE2 3.49Å
118	R	77.7	Confident	80	Confident	133 Å²	133	58.9 Å²	58.9	50%	0.502	27%	0.274	S	S	.	.	H	α-helix	trans	-56.2	-37.7	174.4	-66.6	176.9	-174.2	-171.4	-2.7	113.3	H114 D116 A120 Y121 F153	H114-R118 WeakPolarHBondContact O-CG 3.33Å; D116-R118 PolarHBondContact O-N 3.2Å; R118-A120 PolarHBondContact O-N 3.27Å; R118-Y121 PolarHBondContact O-N 2.98Å; R118-F153 HydrophobicContact CG-CE1 4.11Å; R118-F153 HydrophobicContact CG-CE2 3.92Å; R118-F153 HydrophobicContact CG-CZ 3.64Å
119	F	78.5	Confident	80.6	Confident	159 Å²	159	57.9 Å²	57.9	70%	0.697	27%	0.269	S	S	*	.	H	α-helix	trans	-65.9	-26.8	179.5	-68.7	-75.7	0	0	0	112.5	W78 D116 R117 Y121	W78-F119 HydrophobicContact CE3-CB 4.47Å; W78-F119 HydrophobicContact CH2-CB 3.9Å; W78-F119 HydrophobicContact CZ3-CB 3.5Å; D116-F119 WeakPolarHBondContact O-CD2 3.35Å; D116-F119 PolarHBondContact O-N 3.46Å; R117-F119 VanDerWaalsContact C-N 3.27Å; R117-F119 PolarHBondContact O-N 3.3Å; F119-Y121 PolarHBondContact O-N 3.36Å
120	A	81.9	Confident	81.5	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-68.5	-35	179.7	0	0	0	0	0	112	K40 V42 W78 W107 T109 R117 R118 G122 S124	K40-A120 WeakPolarHBondContact CE-O 3.23Å; K40-A120 PolarHBondContact NZ-O 3.48Å; V42-A120 HydrophobicContact CG1-CB 4.15Å; V42-A120 WeakPolarHBondContact CG2-O 3.42Å; W78-A120 HydrophobicContact CH2-CB 4.01Å; W78-A120 HydrophobicContact CZ3-CB 4.13Å; W107-A120 HydrophobicContact CE3-CB 4.41Å; T109-A120 HydrophobicContact CG2-CB 3.72Å; R117-A120 WeakPolarHBondContact O-CB 3.34Å; R117-A120 PolarHBondContact O-N 3.09Å; R117-A120 VanDerWaalsContact O-N 3.09Å; R118-A120 PolarHBondContact O-N 3.27Å; A120-G122 VanDerWaalsContact C-N 3.28Å; A120-G122 PolarHBondContact O-N 3.45Å; A120-S124 PolarHBondContact O-OG 3.41Å
121	Y	86.1	Confident	82.6	Confident	3 Å²	3	55.5 Å²	55.5	1%	0.012	26%	0.259	C	S	.	.	H	α-helix	trans	-67.2	-23.2	-176.9	-62.9	-58.3	0	0	0	114.5	V44 R118 F119 R123 S124 E149 I150 F153	V44-Y121 HydrophobicContact CG1-CE1 3.81Å; R118-Y121 PolarHBondContact O-N 2.98Å; F119-Y121 PolarHBondContact O-N 3.36Å; Y121-R123 PolarHBondContact O-N 3.3Å; Y121-S124 WeakPolarHBondContact CA-OG 3.32Å; Y121-S124 WeakPolarHBondContact O-CB 3.44Å; Y121-S124 PolarHBondContact O-N 3.22Å; Y121-S124 VanDerWaalsContact O-N 3.12Å; Y121-S124 PolarHBondContact O-OG 2.87Å; Y121-E149 HydrophobicContact CE2-CG 4.2Å; Y121-E149 WeakPolarHBondContact CE2-OE1 3.13Å; Y121-E149 PolarHBondContact OH-OE1 2.99Å; Y121-I150 HydrophobicContact CE1-CG1 3.92Å; Y121-F153 HydrophobicContact CD2-CB 3.79Å; Y121-F153 AromaticContact CD2-CD2 3.83Å; Y121-F153 HydrophobicContact CD2-CD2 3.83Å; Y121-F153 AromaticContact CD2-CG 3.97Å; Y121-F153 HydrophobicContact CD2-CG 3.97Å; Y121-F153 AromaticContact CE2-CD2 3.99Å; Y121-F153 HydrophobicContact CE2-CD2 3.99Å; Y121-F153 HydrophobicContact CG-CB 4Å
122	G	84.3	Confident	84.1	Confident	41 Å²	41	55.6 Å²	55.6	42%	0.423	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	124.7	-177	0	0	0	0	0	112.4	K40 A120 S124	K40-G122 PolarHBondContact NZ-O 3.45Å; A120-G122 VanDerWaalsContact C-N 3.28Å; A120-G122 PolarHBondContact O-N 3.45Å; G122-S124 PolarHBondContact O-N 3.01Å
123	R	84.9	Confident	85.5	Confident	240 Å²	240	50.4 Å²	50.4	91%	0.906	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	31.5	-179.3	-54.2	179.8	-178.4	172.9	0.3	114.3	Y121	Y121-R123 PolarHBondContact O-N 3.3Å
124	S	91.8	Very high	86.8	Confident	15 Å²	15	46.5 Å²	46.5	11%	0.105	22%	0.215	C	C	.	.			trans	-67.8	134.2	174.9	-54.8	0	0	0	0	111.1	V42 A120 Y121 G122	V42-S124 WeakPolarHBondContact CG2-OG 3.35Å; A120-S124 PolarHBondContact O-OG 3.41Å; Y121-S124 WeakPolarHBondContact CA-OG 3.32Å; Y121-S124 WeakPolarHBondContact O-CB 3.44Å; Y121-S124 PolarHBondContact O-N 3.22Å; Y121-S124 VanDerWaalsContact O-N 3.12Å; Y121-S124 PolarHBondContact O-OG 2.87Å; G122-S124 PolarHBondContact O-N 3.01Å
125	D	94.8	Very high	88.2	Confident	45 Å²	45	44.5 Å²	44.5	24%	0.241	21%	0.207	C	C	.	.	S	Bend	trans	-88.8	-27.1	175.8	-66.8	-66.1	0	0	0	112.2	I39 K40 P158 A231 R235	I39-D125 WeakPolarHBondContact CA-OD2 3.4Å; I39-D125 HydrophobicContact CG2-CB 3.99Å; K40-D125 PolarHBondContact N-OD2 3.2Å; K40-D125 PolarHBondContact O-N 3.41Å; D125-P158 WeakPolarHBondContact O-CD 3.48Å; D125-P158 WeakPolarHBondContact O-CG 3.26Å; D125-A231 HydrophobicContact CB-CB 4.09Å; D125-R235 IonicContact OD1-CZ 2.63Å; D125-R235 IonicContact OD1-NE 3.41Å; D125-R235 IonicContact OD1-NH2 3.13Å; D125-R235 PolarHBondContact OD1-NH2 3.14Å; D125-R235 IonicContact OD2-NH2 2.77Å; D125-R235 PolarHBondContact OD2-NH2 3.19Å; D125-R235 VanDerWaalsContact OD2-NH2 3.14Å
126	V	96.9	Very high	89.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	151.3	175.3	59.4	0	0	0	0	110.3	I39 K40 C41 V42 P158 A227 A231	I39-V126 HydrophobicContact CG2-CG1 4.11Å; K40-V126 PolarHBondContact O-N 3.03Å; C41-V126 HydrophobicContact CB-CG1 3.83Å; V42-V126 PolarHBondContact N-O 3.43Å; V42-V126 VanDerWaalsContact N-O 3.09Å; V126-P158 HydrophobicContact CB-CG 4.16Å; V126-P158 HydrophobicContact CG2-CG 4.13Å; V126-A227 HydrophobicContact CG1-CB 4.08Å; V126-A227 HydrophobicContact CG2-CB 3.89Å; V126-A231 HydrophobicContact CB-CB 4.05Å; V126-A231 HydrophobicContact CG1-CB 4.16Å
127	V	96.9	Very high	91.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.9	175.6	-175.7	0	0	0	0	110.4	V42 V44 I150 A157 P158 V159 I160	V42-V127 CarbonylContact O-C 3.58Å; V42-V127 WeakPolarHBondContact O-CA 3.26Å; V44-V127 HydrophobicContact CG2-CG1 3.44Å; V44-V127 VanDerWaalsContact CG2-CG1 3.44Å; V127-I150 HydrophobicContact CB-CG2 4.22Å; V127-I150 HydrophobicContact CG1-CD1 3.88Å; V127-I150 HydrophobicContact CG1-CG1 4.19Å; V127-I150 HydrophobicContact CG1-CG2 4.19Å; V127-I150 HydrophobicContact CG2-CG2 4.02Å; V127-A157 HydrophobicContact CG2-CB 4.25Å; V127-P158 PolarHBondContact N-O 3.4Å; V127-V159 HydrophobicContact CB-CG2 4.38Å; V127-V159 CarbonylContact O-C 3.56Å; V127-V159 WeakPolarHBondContact O-CA 3.43Å; V127-I160 PolarHBondContact O-N 2.93Å
128	V	97.6	Very high	92	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	111.1	171.3	177.5	0	0	0	0	107.7	V42 V43 V44 V162 V223 A227	V42-V128 PolarHBondContact O-N 3.45Å; V43-V128 WeakPolarHBondContact CA-O 3.3Å; V43-V128 HydrophobicContact CG1-CB 4.42Å; V43-V128 HydrophobicContact CG1-CG1 4.34Å; V43-V128 HydrophobicContact CG2-CB 4.29Å; V44-V128 PolarHBondContact N-O 2.99Å; V128-V162 HydrophobicContact CG1-CB 4.27Å; V128-V162 HydrophobicContact CG1-CG2 3.59Å; V128-V223 HydrophobicContact CG1-CG1 4.02Å; V128-V223 HydrophobicContact CG2-CG1 4.33Å; V128-A227 HydrophobicContact CG2-CB 4.11Å
129	L	97.6	Very high	92.9	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	108.9	-179	176.3	51.3	0	0	0	109.6	V44 V142 W146 I150 V159 I160 L161 V162	V44-L129 HydrophobicContact CG2-CB 4.44Å; V44-L129 HydrophobicContact CG2-CD1 4.02Å; L129-V142 HydrophobicContact CD1-CG2 4.34Å; L129-V142 HydrophobicContact CD2-CB 4.41Å; L129-V142 HydrophobicContact CD2-CG1 3.71Å; L129-V142 HydrophobicContact CD2-CG2 4.41Å; L129-V142 HydrophobicContact CG-CG1 4.29Å; L129-V142 HydrophobicContact CG-CG2 4.18Å; L129-W146 HydrophobicContact CD1-CB 3.54Å; L129-W146 HydrophobicContact CD1-CG 3.98Å; L129-W146 HydrophobicContact CD2-CB 4.24Å; L129-I150 HydrophobicContact CB-CD1 4.33Å; L129-I150 HydrophobicContact CD1-CD1 4.18Å; L129-I150 HydrophobicContact CD2-CD1 3.91Å; L129-I150 HydrophobicContact CG-CD1 4.38Å; L129-V159 HydrophobicContact CB-CG1 3.93Å; L129-V159 HydrophobicContact CD2-CG1 4.33Å; L129-I160 PolarHBondContact N-O 2.77Å; L129-L161 HydrophobicContact CD2-CD1 4.45Å; L129-L161 HydrophobicContact CG-CD1 4.12Å; L129-L161 WeakPolarHBondContact O-CA 3.38Å; L129-V162 PolarHBondContact O-N 3.46Å
130	C	97.6	Very high	93.8	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.007	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	141.7	-174.9	-62.9	0	0	0	0	112.4	V44 G45 V49 K51 V162	V44-C130 PolarHBondContact O-N 2.85Å; G45-C130 WeakPolarHBondContact CA-O 3.25Å; V49-C130 HydrophobicContact CG2-CB 3.93Å; K51-C130 HydrophobicContact CG-CB 4.03Å; C130-V162 CarbonylContact C-O 3.56Å; C130-V162 WeakPolarHBondContact CA-O 3.34Å
131	F	98	Very high	94.5	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	164	162.4	72	-84.7	0	0	0	109.9	I133 L139 V142 L161 V162 C164 L193 Y209	F131-I133 HydrophobicContact CE2-CG2 4.16Å; F131-L139 HydrophobicContact CD1-CD1 3.81Å; F131-L139 HydrophobicContact CD2-CB 3.77Å; F131-L139 HydrophobicContact CD2-CD1 4.03Å; F131-L139 HydrophobicContact CD2-CG 4.36Å; F131-L139 HydrophobicContact CE1-CD1 3.72Å; F131-L139 HydrophobicContact CE2-CB 4.15Å; F131-L139 HydrophobicContact CE2-CD1 3.97Å; F131-L139 HydrophobicContact CE2-CD2 4.22Å; F131-L139 HydrophobicContact CE2-CG 4.34Å; F131-L139 HydrophobicContact CG-CB 4.15Å; F131-L139 HydrophobicContact CG-CD1 3.96Å; F131-L139 HydrophobicContact CZ-CD1 3.82Å; F131-L139 HydrophobicContact CZ-CD2 4.47Å; F131-V142 HydrophobicContact CB-CG2 4Å; F131-V142 HydrophobicContact CD1-CG2 4.36Å; F131-L161 HydrophobicContact CD1-CD1 3.82Å; F131-L161 HydrophobicContact CD1-CG 4.23Å; F131-L161 HydrophobicContact CE1-CD1 4.05Å; F131-L161 HydrophobicContact CE1-CD2 4.16Å; F131-L161 HydrophobicContact CE1-CG 3.95Å; F131-V162 VanDerWaalsContact CD1-O 3.32Å; F131-V162 WeakPolarHBondContact CD1-O 3.48Å; F131-V162 PolarHBondContact N-O 2.95Å; F131-C164 WeakPolarHBondContact O-CB 3.49Å; F131-C164 PolarHBondContact O-N 3.21Å; F131-L193 HydrophobicContact CD2-CD1 4.18Å; F131-L193 HydrophobicContact CE2-CD1 3.86Å; F131-Y209 AromaticContact CE1-CE2 3.71Å; F131-Y209 HydrophobicContact CE1-CE2 3.71Å; F131-Y209 AromaticContact CZ-CE2 3.83Å; F131-Y209 HydrophobicContact CZ-CE2 3.83Å
132	S	96.1	Very high	95	Very high	5 Å²	5	36.6 Å²	36.6	4%	0.035	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129.7	174.8	169.6	0	0	0	0	109.8	A134 N135 S138 Q165	S132-A134 PolarHBondContact O-N 3.04Å; S132-A134 PolarHBondContact OG-N 3.25Å; S132-A134 VanDerWaalsContact OG-N 3.08Å; S132-N135 PolarHBondContact O-N 2.94Å; S132-N135 VanDerWaalsContact O-N 3.11Å; S132-N135 PolarHBondContact OG-N 3.16Å; S132-S138 PolarHBondContact N-OG 3.38Å; S132-S138 PolarHBondContact O-OG 3.37Å; S132-Q165 PolarHBondContact OG-OE1 3.16Å
133	I	96.3	Very high	95.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.8	173.2	67.8	150.5	0	0	0	112.5	F131 C164 Q165 R169 I192 L193	F131-I133 HydrophobicContact CE2-CG2 4.16Å; I133-C164 WeakPolarHBondContact CG1-O 3.31Å; I133-C164 PolarHBondContact N-O 3.46Å; I133-Q165 VanDerWaalsContact CD1-O 3.32Å; I133-Q165 WeakPolarHBondContact CD1-O 3.45Å; I133-Q165 VanDerWaalsContact CG1-O 3.3Å; I133-Q165 WeakPolarHBondContact CG1-O 3.5Å; I133-R169 HydrophobicContact CD1-CG 3.58Å; I133-I192 HydrophobicContact CD1-CG2 4.15Å; I133-I192 WeakPolarHBondContact O-CA 3.38Å; I133-L193 WeakPolarHBondContact O-CB 3.03Å; I133-L193 PolarHBondContact O-N 3.46Å
134	A	93.8	Very high	96	Very high	8 Å²	8	29.7 Å²	29.7	7%	0.066	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	3.4	177.7	0	0	0	0	0	113.5	S132 L168 I187 I192	S132-A134 PolarHBondContact O-N 3.04Å; S132-A134 PolarHBondContact OG-N 3.25Å; S132-A134 VanDerWaalsContact OG-N 3.08Å; A134-L168 HydrophobicContact CB-CD1 3.45Å; A134-L168 VanDerWaalsContact CB-CD1 3.45Å; A134-I187 HydrophobicContact CB-CD1 4.34Å; A134-I187 HydrophobicContact CB-CG1 4.33Å; A134-I187 HydrophobicContact CB-CG2 4.15Å; A134-I192 HydrophobicContact CB-CD1 3.66Å
135	N	93.8	Very high	96.1	Very high	49 Å²	49	32.3 Å²	32.3	26%	0.262	16%	0.163	S	C	.	.			trans	-134.2	95.9	176	-177	4	0	0	0	110.7	S132 N137 S138	S132-N135 PolarHBondContact O-N 2.94Å; S132-N135 VanDerWaalsContact O-N 3.11Å; S132-N135 PolarHBondContact OG-N 3.16Å; N135-N137 PolarHBondContact O-N 3.37Å; N135-N137 VanDerWaalsContact O-N 3.15Å; N135-N137 WeakPolarHBondContact OD1-CB 3.34Å; N135-N137 PolarHBondContact OD1-N 2.97Å; N135-S138 WeakPolarHBondContact O-CB 3.44Å; N135-S138 PolarHBondContact O-N 3.01Å; N135-S138 PolarHBondContact O-OG 3.25Å
136	P	95.3	Very high	96.1	Very high	47 Å²	47	30.2 Å²	30.2	31%	0.305	15%	0.152	S	C	.	.	H	α-helix	trans	-53.6	-34.2	178.3	-29.2	36.8	0	0	0	114.6	S138 L139 Y140 E191 L193	P136-S138 VanDerWaalsContact C-N 3.27Å; P136-S138 PolarHBondContact O-N 3.25Å; P136-L139 PolarHBondContact O-N 3.18Å; P136-Y140 PolarHBondContact O-N 3.32Å; P136-Y140 VanDerWaalsContact O-N 3.13Å; P136-E191 WeakPolarHBondContact CD-O 3.49Å; P136-E191 HydrophobicContact CG-CB 4.3Å; P136-E191 VanDerWaalsContact CG-O 3.29Å; P136-E191 WeakPolarHBondContact CG-O 3.07Å; P136-L193 HydrophobicContact CB-CD2 4.1Å; P136-L193 HydrophobicContact CG-CD2 4.09Å; P136-L193 HydrophobicContact CG-CG 4.32Å
137	N	95.2	Very high	96.1	Very high	99 Å²	99	32.4 Å²	32.4	53%	0.529	16%	0.161	S	C	.	.	H	α-helix	trans	-64.3	-34	178.6	-66.6	-34.7	0	0	0	111.9	N135 L139 Y140 H141	N135-N137 PolarHBondContact O-N 3.37Å; N135-N137 VanDerWaalsContact O-N 3.15Å; N135-N137 WeakPolarHBondContact OD1-CB 3.34Å; N135-N137 PolarHBondContact OD1-N 2.97Å; N137-L139 VanDerWaalsContact C-N 3.28Å; N137-L139 PolarHBondContact O-N 3.14Å; N137-Y140 WeakPolarHBondContact O-CA 3.28Å; N137-Y140 WeakPolarHBondContact O-CB 3.47Å; N137-Y140 PolarHBondContact O-N 3.4Å; N137-H141 VanDerWaalsContact O-CG 3.24Å; N137-H141 PolarHBondContact O-N 2.94Å; N137-H141 PolarHBondContact O-ND1 3.28Å
138	S	96.1	Very high	96	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.014	18%	0.181	C	C	.	.	H	α-helix	trans	-64.9	-33.4	178.2	70.2	0	0	0	0	112.4	D46 S132 N135 P136 V142	D46-S138 WeakPolarHBondContact OD2-CA 3.42Å; S132-S138 PolarHBondContact N-OG 3.38Å; S132-S138 PolarHBondContact O-OG 3.37Å; N135-S138 WeakPolarHBondContact O-CB 3.44Å; N135-S138 PolarHBondContact O-N 3.01Å; N135-S138 PolarHBondContact O-OG 3.25Å; P136-S138 VanDerWaalsContact C-N 3.27Å; P136-S138 PolarHBondContact O-N 3.25Å; S138-V142 WeakPolarHBondContact O-CG2 3.41Å; S138-V142 PolarHBondContact O-N 3.43Å
139	L	97.4	Very high	95.9	Very high	12 Å²	12	36.9 Å²	36.9	6%	0.063	19%	0.187	C	C	.	.	H	α-helix	trans	-72.8	-33.6	171.7	-177.6	59.7	0	0	0	111.9	F131 P136 N137 V142 L193 R197 V201	F131-L139 HydrophobicContact CD1-CD1 3.81Å; F131-L139 HydrophobicContact CD2-CB 3.77Å; F131-L139 HydrophobicContact CD2-CD1 4.03Å; F131-L139 HydrophobicContact CD2-CG 4.36Å; F131-L139 HydrophobicContact CE1-CD1 3.72Å; F131-L139 HydrophobicContact CE2-CB 4.15Å; F131-L139 HydrophobicContact CE2-CD1 3.97Å; F131-L139 HydrophobicContact CE2-CD2 4.22Å; F131-L139 HydrophobicContact CE2-CG 4.34Å; F131-L139 HydrophobicContact CG-CB 4.15Å; F131-L139 HydrophobicContact CG-CD1 3.96Å; F131-L139 HydrophobicContact CZ-CD1 3.82Å; F131-L139 HydrophobicContact CZ-CD2 4.47Å; P136-L139 PolarHBondContact O-N 3.18Å; N137-L139 VanDerWaalsContact C-N 3.28Å; N137-L139 PolarHBondContact O-N 3.14Å; L139-V142 HydrophobicContact CD1-CG2 4.5Å; L139-V142 WeakPolarHBondContact O-CB 3.35Å; L139-V142 PolarHBondContact O-N 2.78Å; L139-L193 HydrophobicContact CB-CD1 3.85Å; L139-L193 HydrophobicContact CD2-CD1 3.69Å; L139-L193 HydrophobicContact CG-CD1 4.42Å; L139-R197 HydrophobicContact CD2-CB 3.91Å; L139-V201 HydrophobicContact CD1-CB 4Å; L139-V201 HydrophobicContact CD1-CG1 4.08Å; L139-V201 HydrophobicContact CD1-CG2 3.64Å; L139-V201 HydrophobicContact CD2-CG2 4.02Å; L139-V201 HydrophobicContact CG-CG2 3.83Å
140	Y	97	Very high	95.7	Very high	146 Å²	146	36.9 Å²	36.9	57%	0.573	19%	0.187	S	C	*	.	H	α-helix	trans	-63.8	-44.5	173.7	178.7	-104.9	0	0	0	111.6	P136 N137 V142 K143 T144	P136-Y140 PolarHBondContact O-N 3.32Å; P136-Y140 VanDerWaalsContact O-N 3.13Å; N137-Y140 WeakPolarHBondContact O-CA 3.28Å; N137-Y140 WeakPolarHBondContact O-CB 3.47Å; N137-Y140 PolarHBondContact O-N 3.4Å; Y140-V142 PolarHBondContact O-N 2.99Å; Y140-K143 PolarHBondContact O-N 3.11Å; Y140-K143 VanDerWaalsContact O-N 3.14Å; Y140-T144 HydrophobicContact CD1-CG2 4.27Å; Y140-T144 HydrophobicContact CD2-CG2 4.3Å; Y140-T144 HydrophobicContact CE1-CG2 3.75Å; Y140-T144 HydrophobicContact CE2-CG2 3.79Å; Y140-T144 VanDerWaalsContact CZ-CG2 3.5Å; Y140-T144 PolarHBondContact O-N 3.44Å; Y140-T144 PolarHBondContact O-OG1 2.88Å
141	H	96.6	Very high	95.5	Very high	56 Å²	56	39.9 Å²	39.9	26%	0.259	20%	0.2	S	C	.	.	H	α-helix	trans	-64	-26	178.2	-62.1	160.2	0	0	0	113.6	D46 N137 K143 T144 M145 W146	D46-H141 IonicContact OD1-CG 3.21Å; D46-H141 IonicContact OD1-ND1 3.38Å; D46-H141 PolarHBondContact OD1-ND1 2.98Å; D46-H141 IonicContact OD2-CE1 2.69Å; D46-H141 IonicContact OD2-CG 3.4Å; D46-H141 IonicContact OD2-ND1 2.68Å; D46-H141 PolarHBondContact OD2-ND1 2.64Å; N137-H141 VanDerWaalsContact O-CG 3.24Å; N137-H141 PolarHBondContact O-N 2.94Å; N137-H141 PolarHBondContact O-ND1 3.28Å; H141-K143 VanDerWaalsContact C-N 3.25Å; H141-K143 PolarHBondContact O-N 3.15Å; H141-T144 WeakPolarHBondContact CA-OG1 3.49Å; H141-T144 PolarHBondContact O-N 3.14Å; H141-M145 PolarHBondContact O-N 3.06Å; H141-W146 PolarHBondContact O-N 3.06Å
142	V	97.4	Very high	95.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-52.1	-47.6	171.5	164.4	0	0	0	0	110.4	L129 F131 S138 L139 Y140 Y147 L161 V201 L205	L129-V142 HydrophobicContact CD1-CG2 4.34Å; L129-V142 HydrophobicContact CD2-CB 4.41Å; L129-V142 HydrophobicContact CD2-CG1 3.71Å; L129-V142 HydrophobicContact CD2-CG2 4.41Å; L129-V142 HydrophobicContact CG-CG1 4.29Å; L129-V142 HydrophobicContact CG-CG2 4.18Å; F131-V142 HydrophobicContact CB-CG2 4Å; F131-V142 HydrophobicContact CD1-CG2 4.36Å; S138-V142 WeakPolarHBondContact O-CG2 3.41Å; S138-V142 PolarHBondContact O-N 3.43Å; L139-V142 HydrophobicContact CD1-CG2 4.5Å; L139-V142 WeakPolarHBondContact O-CB 3.35Å; L139-V142 PolarHBondContact O-N 2.78Å; Y140-V142 PolarHBondContact O-N 2.99Å; V142-Y147 WeakPolarHBondContact O-CB 3.42Å; V142-Y147 PolarHBondContact O-N 3.34Å; V142-L161 HydrophobicContact CB-CD1 4.43Å; V142-L161 HydrophobicContact CG1-CD1 3.61Å; V142-L161 HydrophobicContact CG2-CD1 3.93Å; V142-V201 HydrophobicContact CG1-CG1 3.82Å; V142-L205 HydrophobicContact CG1-CD1 3.83Å
143	K	95.1	Very high	95.1	Very high	66 Å²	66	50.2 Å²	50.2	29%	0.287	25%	0.246	S	C	.	.	I	π-helix	trans	-78.5	-43.4	-178.2	-68.8	-175.5	177.8	176.6	0	112.7	Y140 H141 P148 V201 E204	Y140-K143 PolarHBondContact O-N 3.11Å; Y140-K143 VanDerWaalsContact O-N 3.14Å; H141-K143 VanDerWaalsContact C-N 3.25Å; H141-K143 PolarHBondContact O-N 3.15Å; K143-P148 VanDerWaalsContact O-CD 3.29Å; K143-P148 WeakPolarHBondContact O-CD 3.5Å; K143-P148 WeakPolarHBondContact O-CG 3.1Å; K143-V201 HydrophobicContact CD-CG1 4.24Å; K143-V201 HydrophobicContact CD-CG2 4.34Å; K143-V201 VanDerWaalsContact CE-CG1 3.48Å; K143-V201 HydrophobicContact CG-CG1 3.77Å; K143-E204 WeakPolarHBondContact CE-OE2 3.23Å; K143-E204 IonicContact NZ-OE1 2.86Å; K143-E204 PolarHBondContact NZ-OE1 3.32Å; K143-E204 IonicContact NZ-OE2 3.08Å; K143-E204 PolarHBondContact NZ-OE2 3.31Å
144	T	95.6	Very high	94.8	Very high	70 Å²	70	50.8 Å²	50.8	43%	0.429	25%	0.25	S	S	.	.	I	π-helix	trans	-86.7	-25.7	-167.8	56.1	0	0	0	0	114.1	Y140 H141	Y140-T144 HydrophobicContact CD1-CG2 4.27Å; Y140-T144 HydrophobicContact CD2-CG2 4.3Å; Y140-T144 HydrophobicContact CE1-CG2 3.75Å; Y140-T144 HydrophobicContact CE2-CG2 3.79Å; Y140-T144 VanDerWaalsContact CZ-CG2 3.5Å; Y140-T144 PolarHBondContact O-N 3.44Å; Y140-T144 PolarHBondContact O-OG1 2.88Å; H141-T144 WeakPolarHBondContact CA-OG1 3.49Å; H141-T144 PolarHBondContact O-N 3.14Å
145	M	94	Very high	94.6	Very high	70 Å²	70	54.5 Å²	54.5	35%	0.345	27%	0.273	S	S	.	.	I	π-helix	trans	-124.9	-61.2	-175.9	-177.6	-171.9	-68.4	0	0	111.9	H141 P148 E149	H141-M145 PolarHBondContact O-N 3.06Å; M145-P148 WeakPolarHBondContact O-CD 3.2Å; M145-E149 VanDerWaalsContact O-CB 3.32Å; M145-E149 WeakPolarHBondContact O-CB 3.48Å; M145-E149 PolarHBondContact O-N 3.33Å; M145-E149 VanDerWaalsContact O-N 3.08Å
146	W	94.6	Very high	94.4	Very high	1 Å²	1	61.4 Å²	61.4	0%	0.004	30%	0.296	C	S	.	.	I	π-helix	trans	-69.9	-49	-164.2	-68.1	110.9	0	0	0	113.3	V44 G45 D46 G111 L129 H141 E149 I150	V44-W146 HydrophobicContact CB-CE3 4.37Å; V44-W146 HydrophobicContact CB-CZ3 4.47Å; G45-W146 WeakPolarHBondContact O-CZ2 3.37Å; D46-W146 PolarHBondContact OD1-NE1 3.42Å; G111-W146 VanDerWaalsContact O-CH2 3.26Å; G111-W146 WeakPolarHBondContact O-CH2 3.48Å; G111-W146 WeakPolarHBondContact O-CZ2 3.44Å; L129-W146 HydrophobicContact CD1-CB 3.54Å; L129-W146 HydrophobicContact CD1-CG 3.98Å; L129-W146 HydrophobicContact CD2-CB 4.24Å; H141-W146 PolarHBondContact O-N 3.06Å; W146-E149 PolarHBondContact O-N 2.92Å; W146-I150 VanDerWaalsContact O-CD1 3.31Å; W146-I150 WeakPolarHBondContact O-CD1 3.42Å; W146-I150 WeakPolarHBondContact O-CG1 3.48Å; W146-I150 PolarHBondContact O-N 3.4Å
147	Y	96.4	Very high	94.4	Very high	47 Å²	47	59.4 Å²	59.4	18%	0.184	28%	0.284	C	S	.	.	H	α-helix	trans	-63.5	-46.2	-179.3	-173.1	-87.5	0	0	0	112.7	V142 E149 I150 K151 V159 L205 V207	V142-Y147 WeakPolarHBondContact O-CB 3.42Å; V142-Y147 PolarHBondContact O-N 3.34Å; Y147-E149 VanDerWaalsContact C-N 3.33Å; Y147-E149 PolarHBondContact O-N 2.57Å; Y147-I150 PolarHBondContact O-N 2.91Å; Y147-K151 HydrophobicContact CD1-CG 4.1Å; Y147-K151 HydrophobicContact CE1-CG 3.73Å; Y147-K151 WeakPolarHBondContact O-CG 3.28Å; Y147-K151 PolarHBondContact O-N 3.15Å; Y147-K151 WeakPolarHBondContact OH-CE 3.41Å; Y147-V159 HydrophobicContact CD2-CG1 4.39Å; Y147-V159 HydrophobicContact CE2-CB 4.39Å; Y147-V159 HydrophobicContact CE2-CG2 4.45Å; Y147-L205 HydrophobicContact CD1-CD2 3.72Å; Y147-L205 HydrophobicContact CD2-CB 4.3Å; Y147-L205 HydrophobicContact CD2-CD1 3.8Å; Y147-L205 HydrophobicContact CD2-CD2 4.19Å; Y147-L205 HydrophobicContact CD2-CG 4.32Å; Y147-L205 HydrophobicContact CE1-CD2 3.95Å; Y147-L205 HydrophobicContact CE2-CB 3.95Å; Y147-L205 HydrophobicContact CE2-CD1 4.29Å; Y147-L205 HydrophobicContact CE2-CD2 4.37Å; Y147-L205 HydrophobicContact CE2-CG 4.43Å; Y147-L205 HydrophobicContact CG-CD1 4Å; Y147-L205 HydrophobicContact CG-CD2 3.83Å; Y147-L205 HydrophobicContact CG-CG 4.41Å; Y147-L205 PolarHBondContact OH-O 3.07Å; Y147-V207 HydrophobicContact CE2-CG1 3.83Å
148	P	95.5	Very high	94.4	Very high	65 Å²	65	56 Å²	56	42%	0.422	27%	0.267	S	S	.	.	H	α-helix	trans	-56.5	-43.1	171.6	-26.2	34.5	0	0	0	113.5	K143 M145 K151 H152	K143-P148 VanDerWaalsContact O-CD 3.29Å; K143-P148 WeakPolarHBondContact O-CD 3.5Å; K143-P148 WeakPolarHBondContact O-CG 3.1Å; M145-P148 WeakPolarHBondContact O-CD 3.2Å; P148-K151 PolarHBondContact O-N 3.32Å; P148-H152 WeakPolarHBondContact O-CB 3.38Å; P148-H152 PolarHBondContact O-N 2.86Å
149	E	93.8	Very high	94.5	Very high	29 Å²	29	56.2 Å²	56.2	14%	0.136	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-48.1	178.2	-176.9	180	118.9	0	0	112	R117 Y121 M145 W146 Y147 K151 H152 F153	R117-E149 IonicContact CZ-OE1 3.22Å; R117-E149 IonicContact CZ-OE2 3.14Å; R117-E149 IonicContact NE-OE1 3.76Å; R117-E149 PolarHBondContact NE-OE1 3.49Å; R117-E149 IonicContact NE-OE2 3.09Å; R117-E149 PolarHBondContact NE-OE2 3.15Å; R117-E149 IonicContact NH2-OE1 3.61Å; R117-E149 IonicContact NH2-OE2 3.59Å; R117-E149 PolarHBondContact NH2-OE2 3.49Å; Y121-E149 HydrophobicContact CE2-CG 4.2Å; Y121-E149 WeakPolarHBondContact CE2-OE1 3.13Å; Y121-E149 PolarHBondContact OH-OE1 2.99Å; M145-E149 VanDerWaalsContact O-CB 3.32Å; M145-E149 WeakPolarHBondContact O-CB 3.48Å; M145-E149 PolarHBondContact O-N 3.33Å; M145-E149 VanDerWaalsContact O-N 3.08Å; W146-E149 PolarHBondContact O-N 2.92Å; Y147-E149 VanDerWaalsContact C-N 3.33Å; Y147-E149 PolarHBondContact O-N 2.57Å; E149-K151 VanDerWaalsContact C-N 3.31Å; E149-K151 PolarHBondContact O-N 2.9Å; E149-H152 WeakPolarHBondContact O-CB 3.46Å; E149-H152 PolarHBondContact O-N 3.49Å; E149-H152 VanDerWaalsContact O-N 3.16Å; E149-F153 HydrophobicContact CG-CD2 3.8Å; E149-F153 HydrophobicContact CG-CE2 3.79Å; E149-F153 VanDerWaalsContact O-CD2 3.31Å; E149-F153 WeakPolarHBondContact O-CD2 3.44Å; E149-F153 PolarHBondContact O-N 3.38Å; E149-F153 VanDerWaalsContact O-N 3.1Å
150	I	94.1	Very high	94.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.5	-46.4	177.9	-66.7	159.9	0	0	0	110	V44 Y121 V127 L129 W146 Y147 H152 F153 C154 V159	V44-I150 HydrophobicContact CG2-CD1 3.66Å; V44-I150 HydrophobicContact CG2-CG1 4.21Å; Y121-I150 HydrophobicContact CE1-CG1 3.92Å; V127-I150 HydrophobicContact CB-CG2 4.22Å; V127-I150 HydrophobicContact CG1-CD1 3.88Å; V127-I150 HydrophobicContact CG1-CG1 4.19Å; V127-I150 HydrophobicContact CG1-CG2 4.19Å; V127-I150 HydrophobicContact CG2-CG2 4.02Å; L129-I150 HydrophobicContact CB-CD1 4.33Å; L129-I150 HydrophobicContact CD1-CD1 4.18Å; L129-I150 HydrophobicContact CD2-CD1 3.91Å; L129-I150 HydrophobicContact CG-CD1 4.38Å; W146-I150 VanDerWaalsContact O-CD1 3.31Å; W146-I150 WeakPolarHBondContact O-CD1 3.42Å; W146-I150 WeakPolarHBondContact O-CG1 3.48Å; W146-I150 PolarHBondContact O-N 3.4Å; Y147-I150 PolarHBondContact O-N 2.91Å; I150-H152 VanDerWaalsContact C-N 3.28Å; I150-H152 PolarHBondContact O-N 3.34Å; I150-F153 PolarHBondContact O-N 3.43Å; I150-C154 CarbonylContact O-C 3.58Å; I150-C154 PolarHBondContact O-N 3.02Å; I150-C154 PolarHBondContact O-SG 3.4Å; I150-V159 HydrophobicContact CG2-CG2 3.69Å
151	K	94.6	Very high	94.6	Very high	64 Å²	64	48.7 Å²	48.7	28%	0.278	24%	0.238	S	C	.	.	H	α-helix	trans	-69.2	-25.1	179.7	-68.6	-55.3	-172.9	-176.2	0	113.6	Y147 P148 E149 P155 A157	Y147-K151 HydrophobicContact CD1-CG 4.1Å; Y147-K151 HydrophobicContact CE1-CG 3.73Å; Y147-K151 WeakPolarHBondContact O-CG 3.28Å; Y147-K151 PolarHBondContact O-N 3.15Å; Y147-K151 WeakPolarHBondContact OH-CE 3.41Å; P148-K151 PolarHBondContact O-N 3.32Å; E149-K151 VanDerWaalsContact C-N 3.31Å; E149-K151 PolarHBondContact O-N 2.9Å; K151-P155 WeakPolarHBondContact O-CA 3.48Å; K151-P155 WeakPolarHBondContact O-CB 3.17Å; K151-A157 PolarHBondContact NZ-O 3.19Å; K151-A157 VanDerWaalsContact NZ-O 3.16Å
152	H	93	Very high	94.7	Very high	144 Å²	144	46 Å²	46	67%	0.667	23%	0.226	S	C	*	.	H	α-helix	trans	-69.7	-47.1	171.6	-177.2	76.6	0	0	0	112.2	P148 E149 I150	P148-H152 WeakPolarHBondContact O-CB 3.38Å; P148-H152 PolarHBondContact O-N 2.86Å; E149-H152 WeakPolarHBondContact O-CB 3.46Å; E149-H152 PolarHBondContact O-N 3.49Å; E149-H152 VanDerWaalsContact O-N 3.16Å; I150-H152 VanDerWaalsContact C-N 3.28Å; I150-H152 PolarHBondContact O-N 3.34Å
153	F	90.8	Very high	94.7	Very high	79 Å²	79	46 Å²	46	35%	0.346	23%	0.226	S	C	.	.	H	α-helix	trans	-87.5	-32.9	-174.1	-69.9	-67.8	0	0	0	114.8	R118 Y121 E149 I150	R118-F153 HydrophobicContact CG-CE1 4.11Å; R118-F153 HydrophobicContact CG-CE2 3.92Å; R118-F153 HydrophobicContact CG-CZ 3.64Å; Y121-F153 HydrophobicContact CD2-CB 3.79Å; Y121-F153 AromaticContact CD2-CD2 3.83Å; Y121-F153 HydrophobicContact CD2-CD2 3.83Å; Y121-F153 AromaticContact CD2-CG 3.97Å; Y121-F153 HydrophobicContact CD2-CG 3.97Å; Y121-F153 AromaticContact CE2-CD2 3.99Å; Y121-F153 HydrophobicContact CE2-CD2 3.99Å; Y121-F153 HydrophobicContact CG-CB 4Å; E149-F153 HydrophobicContact CG-CD2 3.8Å; E149-F153 HydrophobicContact CG-CE2 3.79Å; E149-F153 VanDerWaalsContact O-CD2 3.31Å; E149-F153 WeakPolarHBondContact O-CD2 3.44Å; E149-F153 PolarHBondContact O-N 3.38Å; E149-F153 VanDerWaalsContact O-N 3.1Å; I150-F153 PolarHBondContact O-N 3.43Å
154	C	90.4	Very high	94.8	Very high	13 Å²	13	43.1 Å²	43.1	9%	0.088	21%	0.213	C	C	.	.			trans	-137	67.4	178.7	54.4	0	0	0	0	111.8	I150 R156 A157	I150-C154 CarbonylContact O-C 3.58Å; I150-C154 PolarHBondContact O-N 3.02Å; I150-C154 PolarHBondContact O-SG 3.4Å; C154-R156 PolarHBondContact O-N 2.99Å; C154-R156 VanDerWaalsContact O-N 3.08Å; C154-A157 HydrophobicContact CB-CB 3.97Å; C154-A157 WeakPolarHBondContact O-CB 3.4Å; C154-A157 PolarHBondContact O-N 3Å
155	P	90.7	Very high	94.7	Very high	85 Å²	85	41.9 Å²	41.9	55%	0.552	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-32.6	-171	19.8	-32.8	0	0	0	114.5	K151	K151-P155 WeakPolarHBondContact O-CA 3.48Å; K151-P155 WeakPolarHBondContact O-CB 3.17Å
156	R	89.3	Confident	94.7	Very high	194 Å²	194	38.6 Å²	38.6	73%	0.732	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-14.2	-178.6	-62.4	-177	-175.4	165.4	1.8	113.8	C154 S234	C154-R156 PolarHBondContact O-N 2.99Å; C154-R156 VanDerWaalsContact O-N 3.08Å; R156-S234 PolarHBondContact O-OG 3.38Å
157	A	94.1	Very high	94.6	Very high	6 Å²	6	39.7 Å²	39.7	5%	0.05	19%	0.193	C	C	.	.	S	Bend	trans	-71.2	128.7	179.8	0	0	0	0	0	109.5	V127 K151 C154	V127-A157 HydrophobicContact CG2-CB 4.25Å; K151-A157 PolarHBondContact NZ-O 3.19Å; K151-A157 VanDerWaalsContact NZ-O 3.16Å; C154-A157 HydrophobicContact CB-CB 3.97Å; C154-A157 WeakPolarHBondContact O-CB 3.4Å; C154-A157 PolarHBondContact O-N 3Å
158	P	96.6	Very high	94.4	Very high	28 Å²	28	38 Å²	38	18%	0.182	19%	0.187	C	C	.	.			trans	-62.7	147	168.2	27.5	-33	0	0	0	109.8	D125 V126 V127 A230	D125-P158 WeakPolarHBondContact O-CD 3.48Å; D125-P158 WeakPolarHBondContact O-CG 3.26Å; V126-P158 HydrophobicContact CB-CG 4.16Å; V126-P158 HydrophobicContact CG2-CG 4.13Å; V127-P158 PolarHBondContact N-O 3.4Å; P158-A230 HydrophobicContact CB-CB 3.95Å; P158-A230 HydrophobicContact CG-CB 4.05Å
159	V	97.7	Very high	94.2	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.036	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.1	179	-177.1	0	0	0	0	108.1	V127 L129 Y147 I150 V207	V127-V159 HydrophobicContact CB-CG2 4.38Å; V127-V159 CarbonylContact O-C 3.56Å; V127-V159 WeakPolarHBondContact O-CA 3.43Å; L129-V159 HydrophobicContact CB-CG1 3.93Å; L129-V159 HydrophobicContact CD2-CG1 4.33Å; Y147-V159 HydrophobicContact CD2-CG1 4.39Å; Y147-V159 HydrophobicContact CE2-CB 4.39Å; Y147-V159 HydrophobicContact CE2-CG2 4.45Å; I150-V159 HydrophobicContact CG2-CG2 3.69Å; V159-V207 HydrophobicContact CB-CG1 4.03Å; V159-V207 WeakPolarHBondContact O-CB 3.39Å; V159-V207 WeakPolarHBondContact O-CG1 3.44Å
160	I	97.9	Very high	94	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.5	171.5	-58.3	-162.4	0	0	0	108.4	V127 L129 V162 P208 Y210 N226 A227 A230	V127-I160 PolarHBondContact O-N 2.93Å; L129-I160 PolarHBondContact N-O 2.77Å; I160-V162 HydrophobicContact CG2-CG2 4.19Å; I160-P208 HydrophobicContact CB-CG 4.29Å; I160-P208 HydrophobicContact CD1-CG 4.11Å; I160-P208 HydrophobicContact CG1-CG 3.78Å; I160-P208 HydrophobicContact CG2-CG 4.18Å; I160-Y210 HydrophobicContact CD1-CE2 4.32Å; I160-Y210 HydrophobicContact CG2-CD2 3.33Å; I160-Y210 HydrophobicContact CG2-CE2 3.59Å; I160-N226 VanDerWaalsContact CD1-C 3.45Å; I160-N226 HydrophobicContact CD1-CB 4.28Å; I160-N226 WeakPolarHBondContact CD1-O 3.37Å; I160-A227 HydrophobicContact CD1-CB 3.98Å; I160-A227 VanDerWaalsContact CD1-N 3.33Å; I160-A230 HydrophobicContact CD1-CB 4.22Å
161	L	98.5	Very high	93.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.1	176.8	-175.9	65.8	0	0	0	110.3	L129 F131 V142 G198 V201 A202 V207 P208 Y209 Y210	L129-L161 HydrophobicContact CD2-CD1 4.45Å; L129-L161 HydrophobicContact CG-CD1 4.12Å; L129-L161 WeakPolarHBondContact O-CA 3.38Å; F131-L161 HydrophobicContact CD1-CD1 3.82Å; F131-L161 HydrophobicContact CD1-CG 4.23Å; F131-L161 HydrophobicContact CE1-CD1 4.05Å; F131-L161 HydrophobicContact CE1-CD2 4.16Å; F131-L161 HydrophobicContact CE1-CG 3.95Å; V142-L161 HydrophobicContact CB-CD1 4.43Å; V142-L161 HydrophobicContact CG1-CD1 3.61Å; V142-L161 HydrophobicContact CG2-CD1 3.93Å; L161-G198 WeakPolarHBondContact CD2-O 3.3Å; L161-V201 HydrophobicContact CD2-CB 4.15Å; L161-V201 HydrophobicContact CD2-CG1 3.93Å; L161-A202 HydrophobicContact CB-CB 4.48Å; L161-A202 HydrophobicContact CD2-CB 3.9Å; L161-V207 HydrophobicContact CB-CG2 3.97Å; L161-P208 PolarHBondContact N-O 3.07Å; L161-Y209 HydrophobicContact CB-CD2 4.2Å; L161-Y209 HydrophobicContact CD2-CD2 3.94Å; L161-Y209 HydrophobicContact CD2-CE2 4.39Å; L161-Y209 HydrophobicContact CG-CD2 3.94Å; L161-Y209 HydrophobicContact CG-CE2 4.38Å; L161-Y209 WeakPolarHBondContact O-CA 3.49Å; L161-Y210 PolarHBondContact O-N 2.6Å
162	V	98.6	Very high	93.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	120.8	-177.6	-177	0	0	0	0	111.7	L54 V128 L129 C130 F131 I160 Y210 T212 V223	L54-V162 HydrophobicContact CD2-CG1 4.32Å; V128-V162 HydrophobicContact CG1-CB 4.27Å; V128-V162 HydrophobicContact CG1-CG2 3.59Å; L129-V162 PolarHBondContact O-N 3.46Å; C130-V162 CarbonylContact C-O 3.56Å; C130-V162 WeakPolarHBondContact CA-O 3.34Å; F131-V162 VanDerWaalsContact CD1-O 3.32Å; F131-V162 WeakPolarHBondContact CD1-O 3.48Å; F131-V162 PolarHBondContact N-O 2.95Å; I160-V162 HydrophobicContact CG2-CG2 4.19Å; V162-Y210 CarbonylContact C-O 3.57Å; V162-Y210 VanDerWaalsContact CA-O 3.26Å; V162-Y210 WeakPolarHBondContact CA-O 3.42Å; V162-T212 HydrophobicContact CG1-CG2 3.84Å; V162-V223 HydrophobicContact CG1-CG2 3.97Å; V162-V223 HydrophobicContact CG2-CB 4.48Å; V162-V223 HydrophobicContact CG2-CG1 3.75Å; V162-V223 HydrophobicContact CG2-CG2 3.81Å
163	G	98	Very high	93.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	112.2	167.8	0	0	0	0	0	110.8	Y210 E211 T212	G163-Y210 PolarHBondContact N-O 2.8Å; G163-E211 CarbonylContact O-C 3.49Å; G163-E211 WeakPolarHBondContact O-CA 3.35Å; G163-T212 PolarHBondContact O-N 3.35Å
164	C	96.6	Very high	93	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.027	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	161.7	-179.6	-65	0	0	0	0	112.1	V49 F131 I133	V49-C164 WeakPolarHBondContact O-CB 3.47Å; F131-C164 WeakPolarHBondContact O-CB 3.49Å; F131-C164 PolarHBondContact O-N 3.21Å; I133-C164 WeakPolarHBondContact CG1-O 3.31Å; I133-C164 PolarHBondContact N-O 3.46Å
165	Q	93.5	Very high	92.7	Very high	44 Å²	44	40.1 Å²	40.1	21%	0.206	20%	0.203	C	C	.	.			trans	68.6	36.6	175.8	-50.6	170.8	-68	0	0	113.4	S132 I133 D167 L168 T212	S132-Q165 PolarHBondContact OG-OE1 3.16Å; I133-Q165 VanDerWaalsContact CD1-O 3.32Å; I133-Q165 WeakPolarHBondContact CD1-O 3.45Å; I133-Q165 VanDerWaalsContact CG1-O 3.3Å; I133-Q165 WeakPolarHBondContact CG1-O 3.5Å; Q165-D167 PolarHBondContact O-N 2.98Å; Q165-D167 VanDerWaalsContact O-N 3.11Å; Q165-L168 HydrophobicContact CB-CD1 3.74Å; Q165-L168 HydrophobicContact CB-CG 4.18Å; Q165-L168 WeakPolarHBondContact O-CB 3.47Å; Q165-L168 WeakPolarHBondContact O-CG 3.23Å; Q165-L168 PolarHBondContact O-N 2.95Å; Q165-L168 VanDerWaalsContact O-N 3.07Å; Q165-T212 PolarHBondContact N-O 3.02Å; Q165-T212 VanDerWaalsContact N-O 3.08Å
166	L	94.6	Very high	92.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-49.7	-33.2	177.2	167.3	68.9	0	0	0	113.9	L168 R169 T212 F218 F257	L166-L168 PolarHBondContact O-N 3.37Å; L166-L168 VanDerWaalsContact O-N 3.11Å; L166-R169 PolarHBondContact O-N 3.46Å; L166-R169 VanDerWaalsContact O-N 3.09Å; L166-T212 VanDerWaalsContact CB-O 3.3Å; L166-T212 WeakPolarHBondContact CB-O 3.37Å; L166-T212 PolarHBondContact N-O 3.38Å; L166-F218 HydrophobicContact CD2-CD1 3.35Å; L166-F218 HydrophobicContact CD2-CE1 3.74Å; L166-F218 HydrophobicContact CD2-CG 4.24Å; L166-F257 HydrophobicContact CD2-CB 3.57Å; L166-F257 HydrophobicContact CD2-CD1 3.98Å; L166-F257 HydrophobicContact CD2-CD2 4.46Å; L166-F257 HydrophobicContact CD2-CG 3.75Å; L166-F257 HydrophobicContact CG-CD1 4.3Å
167	D	92.1	Very high	92.4	Very high	25 Å²	25	30.7 Å²	30.7	13%	0.134	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-54.1	-28.7	178	43.8	-71.7	0	0	0	113.8	Q165 R169 Y170 A171 S213 V215	Q165-D167 PolarHBondContact O-N 2.98Å; Q165-D167 VanDerWaalsContact O-N 3.11Å; D167-R169 PolarHBondContact O-N 2.95Å; D167-R169 VanDerWaalsContact O-N 3.1Å; D167-Y170 VanDerWaalsContact CA-CE1 3.47Å; D167-Y170 HydrophobicContact CB-CE1 4.21Å; D167-Y170 PolarHBondContact O-N 3.47Å; D167-A171 WeakPolarHBondContact O-CB 3.48Å; D167-A171 PolarHBondContact O-N 3.29Å; D167-S213 WeakPolarHBondContact CB-OG 3.41Å; D167-S213 WeakPolarHBondContact OD1-CB 3.48Å; D167-S213 PolarHBondContact OD1-OG 2.88Å; D167-V215 HydrophobicContact CB-CB 4.27Å
168	L	92.4	Very high	92	Very high	12 Å²	12	38.4 Å²	38.4	6%	0.063	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-67.4	-10.5	179.9	-60.8	176.9	0	0	0	113.9	A134 Q165 L166 V176 I187 I192	A134-L168 HydrophobicContact CB-CD1 3.45Å; A134-L168 VanDerWaalsContact CB-CD1 3.45Å; Q165-L168 HydrophobicContact CB-CD1 3.74Å; Q165-L168 HydrophobicContact CB-CG 4.18Å; Q165-L168 WeakPolarHBondContact O-CB 3.47Å; Q165-L168 WeakPolarHBondContact O-CG 3.23Å; Q165-L168 PolarHBondContact O-N 2.95Å; Q165-L168 VanDerWaalsContact O-N 3.07Å; L166-L168 PolarHBondContact O-N 3.37Å; L166-L168 VanDerWaalsContact O-N 3.11Å; L168-V176 HydrophobicContact CD2-CG1 3.93Å; L168-V176 HydrophobicContact CD2-CG2 4.29Å; L168-I187 HydrophobicContact CD1-CD1 4.16Å; L168-I192 HydrophobicContact CB-CD1 4.07Å
169	R	91.7	Very high	91.2	Very high	33 Å²	33	41.4 Å²	41.4	13%	0.125	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-72.8	-25.2	173.4	-76.2	-174.7	-168.1	128.4	1.9	114.4	I133 L166 D167 I192 L193 E211 W668	I133-R169 HydrophobicContact CD1-CG 3.58Å; L166-R169 PolarHBondContact O-N 3.46Å; L166-R169 VanDerWaalsContact O-N 3.09Å; D167-R169 PolarHBondContact O-N 2.95Å; D167-R169 VanDerWaalsContact O-N 3.1Å; R169-I192 HydrophobicContact CB-CG2 4.48Å; R169-I192 HydrophobicContact CG-CG2 3.54Å; R169-L193 PolarHBondContact NE-O 3.03Å; R169-L193 PolarHBondContact NH2-O 2.97Å; R169-E211 IonicContact CZ-OE1 3.69Å; R169-E211 IonicContact CZ-OE2 3.9Å; R169-E211 VanDerWaalsContact NH1-CD 3.27Å; R169-E211 IonicContact NH1-OE1 3.95Å; R169-E211 PolarHBondContact NH1-OE1 3.23Å; R169-E211 IonicContact NH1-OE2 2.58Å; R169-E211 PolarHBondContact NH1-OE2 3.33Å; R169-E211 IonicContact NH2-OE1 2.67Å; R169-E211 PolarHBondContact NH2-OE1 3.49Å; R169-E211 IonicContact NH2-OE2 3.47Å; R169-W668 HydrophobicContact CB-CZ2 4.28Å
170	Y	89.7	Confident	90.4	Very high	80 Å²	80	45.5 Å²	45.5	31%	0.314	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.1	-0.9	-175.8	67.5	-90.2	0	0	0	113.1	D167 F257 P259 P260	D167-Y170 VanDerWaalsContact CA-CE1 3.47Å; D167-Y170 HydrophobicContact CB-CE1 4.21Å; D167-Y170 PolarHBondContact O-N 3.47Å; Y170-F257 HydrophobicContact CD1-CE1 4.01Å; Y170-F257 HydrophobicContact CE1-CD1 4.12Å; Y170-F257 AromaticContact CE1-CE1 3.26Å; Y170-F257 HydrophobicContact CE1-CE1 3.26Å; Y170-F257 HydrophobicContact CE1-CZ 4Å; Y170-F257 AromaticContact CZ-CE1 3.74Å; Y170-P259 HydrophobicContact CD1-CB 3.84Å; Y170-P259 HydrophobicContact CD2-CB 4.12Å; Y170-P259 HydrophobicContact CE1-CB 4.34Å; Y170-P259 HydrophobicContact CG-CB 3.72Å; Y170-P260 HydrophobicContact CE2-CG 4.06Å
171	A	88.1	Confident	89.3	Confident	33 Å²	33	54.4 Å²	54.4	27%	0.273	27%	0.268	S	S	.	.	S	Bend	trans	-71.8	153.9	174.7	0	0	0	0	0	112.2	D167 L173 V176	D167-A171 WeakPolarHBondContact O-CB 3.48Å; D167-A171 PolarHBondContact O-N 3.29Å; A171-L173 PolarHBondContact O-N 3.35Å; A171-V176 HydrophobicContact CB-CG2 4.02Å
172	D	87.3	Confident	87.9	Confident	88 Å²	88	61 Å²	61	47%	0.471	31%	0.31	S	S	.	.			trans	-67.3	101	163.5	175.9	-3.1	0	0	0	109.3	E174 A175 V176	D172-E174 PolarHBondContact O-N 3.02Å; D172-E174 WeakPolarHBondContact OD1-CA 3.33Å; D172-E174 WeakPolarHBondContact OD1-CB 3.32Å; D172-E174 PolarHBondContact OD1-N 3.41Å; D172-A175 HydrophobicContact CB-CB 4.02Å; D172-A175 PolarHBondContact O-N 3.23Å; D172-A175 PolarHBondContact OD1-N 3Å; D172-A175 VanDerWaalsContact OD1-N 3.16Å; D172-A175 WeakPolarHBondContact OD2-CB 3.42Å; D172-V176 VanDerWaalsContact O-CG2 3.28Å; D172-V176 WeakPolarHBondContact O-CG2 3.35Å; D172-V176 PolarHBondContact O-N 2.84Å
173	L	88.1	Confident	86.7	Confident	29 Å²	29	69.5 Å²	69.5	15%	0.152	36%	0.355	C	S	.	.	H	α-helix	trans	-64.2	-25.9	-178.6	-66.6	-177.3	0	0	0	112.8	A171 N177 I187 I192	A171-L173 PolarHBondContact O-N 3.35Å; L173-N177 VanDerWaalsContact O-CB 3.25Å; L173-N177 WeakPolarHBondContact O-CB 3.3Å; L173-N177 PolarHBondContact O-N 2.81Å; L173-N177 PolarHBondContact O-ND2 3.17Å; L173-I187 HydrophobicContact CD1-CG2 4.49Å; L173-I187 HydrophobicContact CD2-CG2 4.14Å; L173-I192 HydrophobicContact CD1-CG1 4.42Å
174	E	86.3	Confident	85.7	Confident	136 Å²	136	71.2 Å²	71.2	64%	0.636	37%	0.369	S	S	*	.	H	α-helix	trans	-71.3	-47.6	176.5	-58.3	-168.1	158.1	0	0	110.5	D172 V176 N177 R178	D172-E174 PolarHBondContact O-N 3.02Å; D172-E174 WeakPolarHBondContact OD1-CA 3.33Å; D172-E174 WeakPolarHBondContact OD1-CB 3.32Å; D172-E174 PolarHBondContact OD1-N 3.41Å; E174-V176 VanDerWaalsContact C-N 3.31Å; E174-V176 PolarHBondContact O-N 2.93Å; E174-N177 PolarHBondContact O-N 3.4Å; E174-R178 WeakPolarHBondContact O-CG 3.42Å; E174-R178 PolarHBondContact O-N 3.29Å; E174-R178 IonicContact OE2-NH1 3.72Å
175	A	85.6	Confident	85.1	Confident	38 Å²	38	77.8 Å²	77.8	31%	0.314	39%	0.393	S	S	.	.	H	α-helix	trans	-59.2	-43.5	173.6	0	0	0	0	0	111.5	D172 N177 R178 A179	D172-A175 HydrophobicContact CB-CB 4.02Å; D172-A175 PolarHBondContact O-N 3.23Å; D172-A175 PolarHBondContact OD1-N 3Å; D172-A175 VanDerWaalsContact OD1-N 3.16Å; D172-A175 WeakPolarHBondContact OD2-CB 3.42Å; A175-N177 PolarHBondContact O-N 2.94Å; A175-R178 PolarHBondContact O-N 3.42Å; A175-A179 WeakPolarHBondContact O-CB 3.45Å; A175-A179 PolarHBondContact O-N 2.9Å
176	V	85.7	Confident	84.7	Confident	39 Å²	39	79.3 Å²	79.3	24%	0.236	41%	0.407	C	S	.	.	H	α-helix	trans	-60.9	-45.7	175.8	170.3	0	0	0	0	111.2	L168 A171 D172 E174 A179 R180 I187	L168-V176 HydrophobicContact CD2-CG1 3.93Å; L168-V176 HydrophobicContact CD2-CG2 4.29Å; A171-V176 HydrophobicContact CB-CG2 4.02Å; D172-V176 VanDerWaalsContact O-CG2 3.28Å; D172-V176 WeakPolarHBondContact O-CG2 3.35Å; D172-V176 PolarHBondContact O-N 2.84Å; E174-V176 VanDerWaalsContact C-N 3.31Å; E174-V176 PolarHBondContact O-N 2.93Å; V176-A179 PolarHBondContact O-N 3.47Å; V176-R180 VanDerWaalsContact O-CG 3.25Å; V176-R180 WeakPolarHBondContact O-CG 3.32Å; V176-R180 PolarHBondContact O-N 3.47Å; V176-R180 VanDerWaalsContact O-N 3.15Å; V176-I187 HydrophobicContact CG1-CD1 4.48Å
177	N	87.6	Confident	84.4	Confident	42 Å²	42	80.1 Å²	80.1	23%	0.225	41%	0.411	C	S	.	.	H	α-helix	trans	-67.7	-35.1	179.9	-76.5	-38.9	0	0	0	112.4	L173 E174 A175 A179 R180 P186 I187	L173-N177 VanDerWaalsContact O-CB 3.25Å; L173-N177 WeakPolarHBondContact O-CB 3.3Å; L173-N177 PolarHBondContact O-N 2.81Å; L173-N177 PolarHBondContact O-ND2 3.17Å; E174-N177 PolarHBondContact O-N 3.4Å; A175-N177 PolarHBondContact O-N 2.94Å; N177-A179 VanDerWaalsContact C-N 3.35Å; N177-R180 PolarHBondContact O-N 2.91Å; N177-R180 PolarHBondContact OD1-NH1 3.33Å; N177-P186 WeakPolarHBondContact OD1-CA 3.14Å; N177-I187 PolarHBondContact ND2-N 3.22Å; N177-I187 PolarHBondContact ND2-O 2.85Å; N177-I187 PolarHBondContact OD1-N 2.86Å
178	R	85.2	Confident	84.3	Confident	168 Å²	168	84.5 Å²	84.5	63%	0.634	43%	0.429	S	S	*	.	H	α-helix	trans	-64.6	-36.2	172.3	-72.7	-171.2	-62.5	-92.6	1.5	112.8	E174 A175 R180	E174-R178 WeakPolarHBondContact O-CG 3.42Å; E174-R178 PolarHBondContact O-N 3.29Å; E174-R178 IonicContact OE2-NH1 3.72Å; A175-R178 PolarHBondContact O-N 3.42Å; R178-R180 VanDerWaalsContact C-N 3.34Å
179	A	81.3	Confident	84.1	Confident	91 Å²	91	88.5 Å²	88.5	75%	0.752	46%	0.458	S	S	*	.	H	α-helix	trans	-79.5	-14.3	179.9	0	0	0	0	0	113.9	A175 V176 N177	A175-A179 WeakPolarHBondContact O-CB 3.45Å; A175-A179 PolarHBondContact O-N 2.9Å; V176-A179 PolarHBondContact O-N 3.47Å; N177-A179 VanDerWaalsContact C-N 3.35Å
180	R	79.2	Confident	83.9	Confident	93 Å²	93	93.4 Å²	93.4	35%	0.351	49%	0.487	S	S	.	.	S	Bend	trans	-79.9	164	177.4	-74.7	171.5	80.8	-141.8	2.6	110.9	V176 N177 R178 A184 R185 I187	V176-R180 VanDerWaalsContact O-CG 3.25Å; V176-R180 WeakPolarHBondContact O-CG 3.32Å; V176-R180 PolarHBondContact O-N 3.47Å; V176-R180 VanDerWaalsContact O-N 3.15Å; N177-R180 PolarHBondContact O-N 2.91Å; N177-R180 PolarHBondContact OD1-NH1 3.33Å; R178-R180 VanDerWaalsContact C-N 3.34Å; R180-A184 HydrophobicContact CB-CB 4.46Å; R180-R185 PolarHBondContact NH1-O 3.49Å; R180-I187 VanDerWaalsContact NH1-CD1 3.33Å; R180-I187 VanDerWaalsContact NH1-CG1 3.3Å
181	R	75.1	Confident	84	Confident	187 Å²	187	91.1 Å²	91.1	71%	0.706	48%	0.479	S	S	*	.			trans	-56	138.9	178.6	-66.2	-173.2	-179.2	-159.1	0.6	110	L183 A184	R181-L183 PolarHBondContact O-N 2.69Å; R181-A184 VanDerWaalsContact O-CB 3.28Å; R181-A184 WeakPolarHBondContact O-CB 3.24Å; R181-A184 PolarHBondContact O-N 3.47Å
182	P	69.6	Low	84.3	Confident	138 Å²	138	90.9 Å²	90.9	90%	0.896	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-27.3	-175.2	-29.2	34.9	0	0	0	115.7
183	L	73.8	Confident	84.7	Confident	179 Å²	179	87.7 Å²	87.7	94%	0.937	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-0.5	179.6	-64.7	170.9	0	0	0	113.9	R181	R181-L183 PolarHBondContact O-N 2.69Å
184	A	77	Confident	84.9	Confident	36 Å²	36	88.9 Å²	88.9	30%	0.298	47%	0.465	S	S	.	.	S	Bend	trans	-76	134.8	179	0	0	0	0	0	110.3	R180 R181 P186	R180-A184 HydrophobicContact CB-CB 4.46Å; R181-A184 VanDerWaalsContact O-CB 3.28Å; R181-A184 WeakPolarHBondContact O-CB 3.24Å; R181-A184 PolarHBondContact O-N 3.47Å; A184-P186 WeakPolarHBondContact O-CD 3.49Å
185	R	82.9	Confident	85.3	Confident	142 Å²	142	82.5 Å²	82.5	54%	0.536	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-56.6	125.7	173.6	-167.1	177.1	80.3	94.7	8.2	109.9	R180 I187 E191	R180-R185 PolarHBondContact NH1-O 3.49Å; R185-I187 PolarHBondContact O-N 2.99Å; R185-E191 IonicContact CZ-OE1 3.01Å; R185-E191 IonicContact CZ-OE2 2.62Å; R185-E191 IonicContact NH1-OE1 3.98Å; R185-E191 PolarHBondContact NH1-OE1 3.19Å; R185-E191 IonicContact NH1-OE2 3.92Å; R185-E191 PolarHBondContact NH1-OE2 2.96Å; R185-E191 IonicContact NH2-OE1 3.76Å; R185-E191 PolarHBondContact NH2-OE1 3.43Å; R185-E191 IonicContact NH2-OE2 3.42Å; R185-E191 PolarHBondContact NH2-OE2 3.34Å
186	P	85.9	Confident	85.7	Confident	76 Å²	76	84 Å²	84	49%	0.494	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-57.8	135.3	176.3	-25.7	34.5	0	0	0	111	N177 A184	N177-P186 WeakPolarHBondContact OD1-CA 3.14Å; A184-P186 WeakPolarHBondContact O-CD 3.49Å
187	I	88.8	Confident	86.2	Confident	17 Å²	17	88.6 Å²	88.6	9%	0.087	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-74.9	126.7	171.5	-68.7	151	0	0	0	107.5	A134 L168 L173 V176 N177 R180 R185 I192	A134-I187 HydrophobicContact CB-CD1 4.34Å; A134-I187 HydrophobicContact CB-CG1 4.33Å; A134-I187 HydrophobicContact CB-CG2 4.15Å; L168-I187 HydrophobicContact CD1-CD1 4.16Å; L173-I187 HydrophobicContact CD1-CG2 4.49Å; L173-I187 HydrophobicContact CD2-CG2 4.14Å; V176-I187 HydrophobicContact CG1-CD1 4.48Å; N177-I187 PolarHBondContact ND2-N 3.22Å; N177-I187 PolarHBondContact ND2-O 2.85Å; N177-I187 PolarHBondContact OD1-N 2.86Å; R180-I187 VanDerWaalsContact NH1-CD1 3.33Å; R180-I187 VanDerWaalsContact NH1-CG1 3.3Å; R185-I187 PolarHBondContact O-N 2.99Å; I187-I192 HydrophobicContact CG2-CD1 3.52Å; I187-I192 HydrophobicContact CG2-CG1 4.38Å
188	K	89.4	Confident	86.6	Confident	118 Å²	118	86.6 Å²	86.6	51%	0.513	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-99.3	146.6	175.6	-58.7	-178.2	179.1	-177.4	0	110.2	N190 E191	K188-N190 VanDerWaalsContact C-N 3.25Å; K188-N190 WeakPolarHBondContact CB-OD1 3.37Å; K188-N190 PolarHBondContact O-N 2.94Å; K188-E191 HydrophobicContact CB-CG 4.12Å; K188-E191 WeakPolarHBondContact O-CB 3.09Å; K188-E191 PolarHBondContact O-N 3.4Å
189	S	87.6	Confident	87.1	Confident	95 Å²	95	80.7 Å²	80.7	66%	0.664	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-57.7	-37.6	-179.7	176.6	0	0	0	0	112.7	E191 I192	S189-E191 PolarHBondContact O-N 2.86Å; S189-I192 PolarHBondContact O-N 3.49Å
190	N	88.6	Confident	87.8	Confident	137 Å²	137	80.7 Å²	80.7	73%	0.733	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-70.9	-8.8	178	67.1	-24.8	0	0	0	114.7	K188	K188-N190 VanDerWaalsContact C-N 3.25Å; K188-N190 WeakPolarHBondContact CB-OD1 3.37Å; K188-N190 PolarHBondContact O-N 2.94Å
191	E	90.6	Very high	88.7	Confident	32 Å²	32	76.7 Å²	76.7	15%	0.15	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-97.2	-9.6	177.3	-63.8	172.4	168.4	0	0	112.3	P136 R185 K188 S189 L193	P136-E191 WeakPolarHBondContact CD-O 3.49Å; P136-E191 HydrophobicContact CG-CB 4.3Å; P136-E191 VanDerWaalsContact CG-O 3.29Å; P136-E191 WeakPolarHBondContact CG-O 3.07Å; R185-E191 IonicContact CZ-OE1 3.01Å; R185-E191 IonicContact CZ-OE2 2.62Å; R185-E191 IonicContact NH1-OE1 3.98Å; R185-E191 PolarHBondContact NH1-OE1 3.19Å; R185-E191 IonicContact NH1-OE2 3.92Å; R185-E191 PolarHBondContact NH1-OE2 2.96Å; R185-E191 IonicContact NH2-OE1 3.76Å; R185-E191 PolarHBondContact NH2-OE1 3.43Å; R185-E191 IonicContact NH2-OE2 3.42Å; R185-E191 PolarHBondContact NH2-OE2 3.34Å; K188-E191 HydrophobicContact CB-CG 4.12Å; K188-E191 WeakPolarHBondContact O-CB 3.09Å; K188-E191 PolarHBondContact O-N 3.4Å; S189-E191 PolarHBondContact O-N 2.86Å; E191-L193 PolarHBondContact O-N 3.37Å
192	I	94.6	Very high	89.8	Confident	27 Å²	27	68 Å²	68	14%	0.138	35%	0.354	C	S	.	.	S	Bend	trans	-72.4	116.6	174.6	-56.9	-59.5	0	0	0	109	I133 A134 L168 R169 L173 I187 S189	I133-I192 HydrophobicContact CD1-CG2 4.15Å; I133-I192 WeakPolarHBondContact O-CA 3.38Å; A134-I192 HydrophobicContact CB-CD1 3.66Å; L168-I192 HydrophobicContact CB-CD1 4.07Å; R169-I192 HydrophobicContact CB-CG2 4.48Å; R169-I192 HydrophobicContact CG-CG2 3.54Å; L173-I192 HydrophobicContact CD1-CG1 4.42Å; I187-I192 HydrophobicContact CG2-CD1 3.52Å; I187-I192 HydrophobicContact CG2-CG1 4.38Å; S189-I192 PolarHBondContact O-N 3.49Å
193	L	95.1	Very high	91	Very high	21 Å²	21	70 Å²	70	11%	0.11	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-71.8	130.3	-178.5	-67.8	172.8	0	0	0	111.3	F131 I133 P136 L139 R169 E191 R197	F131-L193 HydrophobicContact CD2-CD1 4.18Å; F131-L193 HydrophobicContact CE2-CD1 3.86Å; I133-L193 WeakPolarHBondContact O-CB 3.03Å; I133-L193 PolarHBondContact O-N 3.46Å; P136-L193 HydrophobicContact CB-CD2 4.1Å; P136-L193 HydrophobicContact CG-CD2 4.09Å; P136-L193 HydrophobicContact CG-CG 4.32Å; L139-L193 HydrophobicContact CB-CD1 3.85Å; L139-L193 HydrophobicContact CD2-CD1 3.69Å; L139-L193 HydrophobicContact CG-CD1 4.42Å; R169-L193 PolarHBondContact NE-O 3.03Å; R169-L193 PolarHBondContact NH2-O 2.97Å; E191-L193 PolarHBondContact O-N 3.37Å; L193-R197 HydrophobicContact CD2-CB 4.41Å; L193-R197 HydrophobicContact CD2-CG 4.32Å
194	P	94.3	Very high	92.1	Very high	55 Å²	55	67.7 Å²	67.7	36%	0.357	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-69.9	152.9	167.8	30.7	-33	0	0	0	109.9	E196 R197	P194-E196 PolarHBondContact O-N 2.98Å; P194-E196 VanDerWaalsContact O-N 3.15Å; P194-R197 HydrophobicContact CG-CG 3.92Å; P194-R197 PolarHBondContact O-N 3.21Å; P194-R197 VanDerWaalsContact O-N 3.14Å
195	P	93.9	Very high	93.1	Very high	2 Å²	2	67.4 Å²	67.4	1%	0.013	33%	0.327	C	S	.	.	H	α-helix	trans	-58	-30.9	-177.2	-23.1	31.1	0	0	0	114.2	R197 G198 R199 E211 W668 E672	P195-R197 PolarHBondContact O-N 2.94Å; P195-G198 PolarHBondContact O-N 3.13Å; P195-G198 VanDerWaalsContact O-N 3.14Å; P195-R199 PolarHBondContact O-N 3.39Å; P195-R199 VanDerWaalsContact O-N 3.16Å; P195-R199 PolarHBondContact O-NH1 3.23Å; P195-E211 WeakPolarHBondContact CA-OE1 3.46Å; P195-W668 HydrophobicContact CG-CE3 4.41Å; P195-E672 HydrophobicContact CB-CG 3.92Å; P195-E672 WeakPolarHBondContact CB-OE1 3.43Å; P195-E672 VanDerWaalsContact CB-OE2 3.26Å; P195-E672 WeakPolarHBondContact CB-OE2 3.3Å; P195-E672 HydrophobicContact CG-CG 3.63Å
196	E	94.8	Very high	93.7	Very high	68 Å²	68	64 Å²	64	32%	0.318	34%	0.336	S	S	.	.	H	α-helix	trans	-50.9	-40.8	176.4	-68.7	167.7	-171.3	0	0	112.2	P194 G198 R199 E200 K671	P194-E196 PolarHBondContact O-N 2.98Å; P194-E196 VanDerWaalsContact O-N 3.15Å; E196-G198 PolarHBondContact O-N 3.11Å; E196-R199 VanDerWaalsContact CG-NH2 3.27Å; E196-R199 PolarHBondContact O-N 2.86Å; E196-E200 WeakPolarHBondContact O-CG 3.34Å; E196-E200 PolarHBondContact O-N 3.08Å; E196-K671 VanDerWaalsContact OE1-CD 3.24Å; E196-K671 WeakPolarHBondContact OE1-CD 3.44Å; E196-K671 IonicContact OE1-NZ 2.75Å
197	R	95.8	Very high	94.2	Very high	136 Å²	136	61.2 Å²	61.2	51%	0.513	32%	0.318	S	S	.	.	H	α-helix	trans	-63.4	-43.8	-179.5	-68.9	-63.7	-165	164.9	4.2	112.3	L139 L193 P194 P195 R199 E200 V201	L139-R197 HydrophobicContact CD2-CB 3.91Å; L193-R197 HydrophobicContact CD2-CB 4.41Å; L193-R197 HydrophobicContact CD2-CG 4.32Å; P194-R197 HydrophobicContact CG-CG 3.92Å; P194-R197 PolarHBondContact O-N 3.21Å; P194-R197 VanDerWaalsContact O-N 3.14Å; P195-R197 PolarHBondContact O-N 2.94Å; R197-R199 VanDerWaalsContact C-N 3.33Å; R197-E200 IonicContact NH1-OE2 2.86Å; R197-E200 PolarHBondContact O-N 2.85Å; R197-V201 VanDerWaalsContact O-CG2 3.32Å; R197-V201 WeakPolarHBondContact O-CG2 3.28Å; R197-V201 PolarHBondContact O-N 3.49Å
198	G	95.9	Very high	94.5	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-64.6	-40.1	176.8	0	0	0	0	0	111.7	L161 P195 E196 V201 A202	L161-G198 WeakPolarHBondContact CD2-O 3.3Å; P195-G198 PolarHBondContact O-N 3.13Å; P195-G198 VanDerWaalsContact O-N 3.14Å; E196-G198 PolarHBondContact O-N 3.11Å; G198-V201 PolarHBondContact O-N 3.32Å; G198-A202 WeakPolarHBondContact O-CB 3.47Å; G198-A202 PolarHBondContact O-N 3.24Å
199	R	95.1	Very high	94.9	Very high	43 Å²	43	58.6 Å²	58.6	16%	0.162	31%	0.309	C	S	.	.	H	α-helix	trans	-64.3	-42.1	175.3	-78.5	-162.3	-56.3	-74.2	7.3	113.7	P195 E196 R197 V201 A202 K203 Y209 E672 H675	P195-R199 PolarHBondContact O-N 3.39Å; P195-R199 VanDerWaalsContact O-N 3.16Å; P195-R199 PolarHBondContact O-NH1 3.23Å; E196-R199 VanDerWaalsContact CG-NH2 3.27Å; E196-R199 PolarHBondContact O-N 2.86Å; R197-R199 VanDerWaalsContact C-N 3.33Å; R199-V201 VanDerWaalsContact C-N 3.32Å; R199-V201 PolarHBondContact O-N 2.85Å; R199-A202 PolarHBondContact O-N 3.07Å; R199-K203 WeakPolarHBondContact O-CB 3.26Å; R199-K203 PolarHBondContact O-N 2.69Å; R199-Y209 HydrophobicContact CB-CD1 4.41Å; R199-Y209 HydrophobicContact CG-CD1 3.47Å; R199-Y209 VanDerWaalsContact CG-CD1 3.47Å; R199-Y209 HydrophobicContact CG-CE1 4.04Å; R199-Y209 HydrophobicContact CG-CG 4.32Å; R199-E672 IonicContact CZ-OE1 3.53Å; R199-E672 IonicContact CZ-OE2 2.67Å; R199-E672 IonicContact NH1-OE1 2.93Å; R199-E672 PolarHBondContact NH1-OE1 3.41Å; R199-E672 IonicContact NH1-OE2 2.74Å; R199-E672 PolarHBondContact NH1-OE2 3.14Å; R199-E672 IonicContact NH2-OE1 3.55Å; R199-E672 PolarHBondContact NH2-OE1 3.48Å; R199-E672 IonicContact NH2-OE2 3.35Å; R199-H675 VanDerWaalsContact CD-CE1 3.44Å; R199-H675 WeakPolarHBondContact CD-CE1 3.38Å
200	E	96.5	Very high	95.4	Very high	92 Å²	92	54.3 Å²	54.3	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-56.3	-49.1	175.8	-74.8	168.4	178.8	0	0	110.5	E196 R197 A202 K203 E204	E196-E200 WeakPolarHBondContact O-CG 3.34Å; E196-E200 PolarHBondContact O-N 3.08Å; R197-E200 IonicContact NH1-OE2 2.86Å; R197-E200 PolarHBondContact O-N 2.85Å; E200-A202 PolarHBondContact O-N 3.33Å; E200-K203 PolarHBondContact O-N 3.12Å; E200-E204 WeakPolarHBondContact O-CG 3.1Å; E200-E204 PolarHBondContact O-N 2.9Å
201	V	97.8	Very high	95.8	Very high	8 Å²	8	48.4 Å²	48.4	5%	0.048	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-46.5	176	176.3	0	0	0	0	111.5	L139 V142 K143 L161 R197 G198 R199 K203 E204 L205	L139-V201 HydrophobicContact CD1-CB 4Å; L139-V201 HydrophobicContact CD1-CG1 4.08Å; L139-V201 HydrophobicContact CD1-CG2 3.64Å; L139-V201 HydrophobicContact CD2-CG2 4.02Å; L139-V201 HydrophobicContact CG-CG2 3.83Å; V142-V201 HydrophobicContact CG1-CG1 3.82Å; K143-V201 HydrophobicContact CD-CG1 4.24Å; K143-V201 HydrophobicContact CD-CG2 4.34Å; K143-V201 VanDerWaalsContact CE-CG1 3.48Å; K143-V201 HydrophobicContact CG-CG1 3.77Å; L161-V201 HydrophobicContact CD2-CB 4.15Å; L161-V201 HydrophobicContact CD2-CG1 3.93Å; R197-V201 VanDerWaalsContact O-CG2 3.32Å; R197-V201 WeakPolarHBondContact O-CG2 3.28Å; R197-V201 PolarHBondContact O-N 3.49Å; G198-V201 PolarHBondContact O-N 3.32Å; R199-V201 VanDerWaalsContact C-N 3.32Å; R199-V201 PolarHBondContact O-N 2.85Å; V201-K203 VanDerWaalsContact C-N 3.33Å; V201-K203 PolarHBondContact O-N 3.24Å; V201-E204 PolarHBondContact O-N 3.39Å; V201-L205 HydrophobicContact CG1-CD1 3.78Å; V201-L205 HydrophobicContact CG1-CG 4.35Å; V201-L205 WeakPolarHBondContact O-CB 3.5Å; V201-L205 VanDerWaalsContact O-CG 3.25Å; V201-L205 WeakPolarHBondContact O-CG 3.43Å; V201-L205 PolarHBondContact O-N 3.37Å
202	A	97.1	Very high	96.1	Very high	4 Å²	4	47 Å²	47	3%	0.033	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-40.2	179.9	0	0	0	0	0	112.7	L161 G198 R199 E200 L205 G206 V207 Y209	L161-A202 HydrophobicContact CB-CB 4.48Å; L161-A202 HydrophobicContact CD2-CB 3.9Å; G198-A202 WeakPolarHBondContact O-CB 3.47Å; G198-A202 PolarHBondContact O-N 3.24Å; R199-A202 PolarHBondContact O-N 3.07Å; E200-A202 PolarHBondContact O-N 3.33Å; A202-L205 CarbonylContact O-C 3.42Å; A202-L205 PolarHBondContact O-N 2.73Å; A202-G206 PolarHBondContact O-N 3.23Å; A202-V207 HydrophobicContact CB-CG2 4.12Å; A202-V207 WeakPolarHBondContact CB-O 3.29Å; A202-V207 PolarHBondContact O-N 3.03Å; A202-Y209 HydrophobicContact CB-CG 4.36Å
203	K	96.3	Very high	96	Very high	182 Å²	182	45.7 Å²	45.7	79%	0.791	23%	0.233	S	C	*	.	H	α-helix	trans	-63.6	-45.2	176.5	-176.2	179.1	178.2	-179	0	111.5	R199 E200 V201 L205 G206	R199-K203 WeakPolarHBondContact O-CB 3.26Å; R199-K203 PolarHBondContact O-N 2.69Å; E200-K203 PolarHBondContact O-N 3.12Å; V201-K203 VanDerWaalsContact C-N 3.33Å; V201-K203 PolarHBondContact O-N 3.24Å; K203-L205 VanDerWaalsContact C-N 3.29Å; K203-L205 PolarHBondContact O-N 3.05Å; K203-G206 PolarHBondContact O-N 3.05Å
204	E	96.9	Very high	95.7	Very high	129 Å²	129	45.9 Å²	45.9	60%	0.603	24%	0.235	S	C	*	.	H	α-helix	trans	-60.8	-38.8	175.5	-74.5	174.5	-133.5	0	0	112.4	K143 E200 V201 G206	K143-E204 WeakPolarHBondContact CE-OE2 3.23Å; K143-E204 IonicContact NZ-OE1 2.86Å; K143-E204 PolarHBondContact NZ-OE1 3.32Å; K143-E204 IonicContact NZ-OE2 3.08Å; K143-E204 PolarHBondContact NZ-OE2 3.31Å; E200-E204 WeakPolarHBondContact O-CG 3.1Å; E200-E204 PolarHBondContact O-N 2.9Å; V201-E204 PolarHBondContact O-N 3.39Å; E204-G206 VanDerWaalsContact C-N 3.34Å
205	L	96.6	Very high	95.3	Very high	30 Å²	30	46 Å²	46	16%	0.157	24%	0.235	C	C	.	.	H	α-helix	trans	-83.3	-8.1	-179.6	-62.9	179.2	0	0	0	113.8	V142 Y147 V201 A202 K203 V207	V142-L205 HydrophobicContact CG1-CD1 3.83Å; Y147-L205 HydrophobicContact CD1-CD2 3.72Å; Y147-L205 HydrophobicContact CD2-CB 4.3Å; Y147-L205 HydrophobicContact CD2-CD1 3.8Å; Y147-L205 HydrophobicContact CD2-CD2 4.19Å; Y147-L205 HydrophobicContact CD2-CG 4.32Å; Y147-L205 HydrophobicContact CE1-CD2 3.95Å; Y147-L205 HydrophobicContact CE2-CB 3.95Å; Y147-L205 HydrophobicContact CE2-CD1 4.29Å; Y147-L205 HydrophobicContact CE2-CD2 4.37Å; Y147-L205 HydrophobicContact CE2-CG 4.43Å; Y147-L205 HydrophobicContact CG-CD1 4Å; Y147-L205 HydrophobicContact CG-CD2 3.83Å; Y147-L205 HydrophobicContact CG-CG 4.41Å; Y147-L205 PolarHBondContact OH-O 3.07Å; V201-L205 HydrophobicContact CG1-CD1 3.78Å; V201-L205 HydrophobicContact CG1-CG 4.35Å; V201-L205 WeakPolarHBondContact O-CB 3.5Å; V201-L205 VanDerWaalsContact O-CG 3.25Å; V201-L205 WeakPolarHBondContact O-CG 3.43Å; V201-L205 PolarHBondContact O-N 3.37Å; A202-L205 CarbonylContact O-C 3.42Å; A202-L205 PolarHBondContact O-N 2.73Å; K203-L205 VanDerWaalsContact C-N 3.29Å; K203-L205 PolarHBondContact O-N 3.05Å; L205-V207 VanDerWaalsContact C-N 3.34Å; L205-V207 HydrophobicContact CB-CG1 4.37Å; L205-V207 HydrophobicContact CB-CG2 3.96Å; L205-V207 PolarHBondContact O-N 2.72Å
206	G	95.6	Very high	95	Very high	70 Å²	70	47.7 Å²	47.7	72%	0.722	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.4	32.1	-176.5	0	0	0	0	0	114	A202 K203 E204	A202-G206 PolarHBondContact O-N 3.23Å; K203-G206 PolarHBondContact O-N 3.05Å; E204-G206 VanDerWaalsContact C-N 3.34Å
207	V	96.5	Very high	94.7	Very high	19 Å²	19	48.2 Å²	48.2	12%	0.115	25%	0.252	C	S	.	.			trans	-118.3	154.6	-177.3	-61.3	0	0	0	0	111.5	Y147 V159 L161 A202 L205	Y147-V207 HydrophobicContact CE2-CG1 3.83Å; V159-V207 HydrophobicContact CB-CG1 4.03Å; V159-V207 WeakPolarHBondContact O-CB 3.39Å; V159-V207 WeakPolarHBondContact O-CG1 3.44Å; L161-V207 HydrophobicContact CB-CG2 3.97Å; A202-V207 HydrophobicContact CB-CG2 4.12Å; A202-V207 WeakPolarHBondContact CB-O 3.29Å; A202-V207 PolarHBondContact O-N 3.03Å; L205-V207 VanDerWaalsContact C-N 3.34Å; L205-V207 HydrophobicContact CB-CG1 4.37Å; L205-V207 HydrophobicContact CB-CG2 3.96Å; L205-V207 PolarHBondContact O-N 2.72Å
208	P	96.6	Very high	94.6	Very high	43 Å²	43	43.6 Å²	43.6	28%	0.279	24%	0.235	S	C	.	.			trans	-71.5	151.9	171.5	31.9	-36.2	0	0	0	111.5	I160 L161 Y210 P251	I160-P208 HydrophobicContact CB-CG 4.29Å; I160-P208 HydrophobicContact CD1-CG 4.11Å; I160-P208 HydrophobicContact CG1-CG 3.78Å; I160-P208 HydrophobicContact CG2-CG 4.18Å; L161-P208 PolarHBondContact N-O 3.07Å; P208-Y210 HydrophobicContact CB-CE2 3.77Å; P208-Y210 HydrophobicContact CG-CE2 4.19Å; P208-P251 HydrophobicContact CB-CB 4.43Å; P208-P251 HydrophobicContact CG-CB 4.45Å
209	Y	97.4	Very high	94.5	Very high	36 Å²	36	43.8 Å²	43.8	14%	0.141	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	136.6	-179.4	179.7	-122.1	0	0	0	111.2	F131 L161 R199 A202 E211	F131-Y209 AromaticContact CE1-CE2 3.71Å; F131-Y209 HydrophobicContact CE1-CE2 3.71Å; F131-Y209 AromaticContact CZ-CE2 3.83Å; F131-Y209 HydrophobicContact CZ-CE2 3.83Å; L161-Y209 HydrophobicContact CB-CD2 4.2Å; L161-Y209 HydrophobicContact CD2-CD2 3.94Å; L161-Y209 HydrophobicContact CD2-CE2 4.39Å; L161-Y209 HydrophobicContact CG-CD2 3.94Å; L161-Y209 HydrophobicContact CG-CE2 4.38Å; L161-Y209 WeakPolarHBondContact O-CA 3.49Å; R199-Y209 HydrophobicContact CB-CD1 4.41Å; R199-Y209 HydrophobicContact CG-CD1 3.47Å; R199-Y209 VanDerWaalsContact CG-CD1 3.47Å; R199-Y209 HydrophobicContact CG-CE1 4.04Å; R199-Y209 HydrophobicContact CG-CG 4.32Å; A202-Y209 HydrophobicContact CB-CG 4.36Å; Y209-E211 HydrophobicContact CE1-CG 3.71Å; Y209-E211 HydrophobicContact CE2-CG 4.21Å; Y209-E211 VanDerWaalsContact CZ-CG 3.42Å; Y209-E211 VanDerWaalsContact OH-CD 3.22Å; Y209-E211 WeakPolarHBondContact OH-CG 3.32Å; Y209-E211 PolarHBondContact OH-OE1 3.01Å
210	Y	97.9	Very high	94.4	Very high	5 Å²	5	42.1 Å²	42.1	2%	0.02	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	156.5	174.5	-59.9	-87.4	0	0	0	109.9	I160 L161 V162 G163 P208 V223 N226 P251 L252 Q254	I160-Y210 HydrophobicContact CD1-CE2 4.32Å; I160-Y210 HydrophobicContact CG2-CD2 3.33Å; I160-Y210 HydrophobicContact CG2-CE2 3.59Å; L161-Y210 PolarHBondContact O-N 2.6Å; V162-Y210 CarbonylContact C-O 3.57Å; V162-Y210 VanDerWaalsContact CA-O 3.26Å; V162-Y210 WeakPolarHBondContact CA-O 3.42Å; G163-Y210 PolarHBondContact N-O 2.8Å; P208-Y210 HydrophobicContact CB-CE2 3.77Å; P208-Y210 HydrophobicContact CG-CE2 4.19Å; Y210-V223 HydrophobicContact CG-CG2 4.22Å; Y210-N226 HydrophobicContact CE1-CB 4.27Å; Y210-N226 VanDerWaalsContact CE1-ND2 3.32Å; Y210-N226 WeakPolarHBondContact CE1-ND2 3.43Å; Y210-N226 HydrophobicContact CE2-CB 3.97Å; Y210-N226 WeakPolarHBondContact OH-CB 3.44Å; Y210-N226 VanDerWaalsContact OH-CG 3.26Å; Y210-N226 PolarHBondContact OH-ND2 3.33Å; Y210-P251 WeakPolarHBondContact OH-CB 3.47Å; Y210-L252 VanDerWaalsContact CE1-O 3.29Å; Y210-L252 WeakPolarHBondContact CE1-O 3.3Å; Y210-L252 PolarHBondContact OH-O 3.35Å; Y210-Q254 HydrophobicContact CD1-CB 3.77Å; Y210-Q254 HydrophobicContact CD1-CG 4.34Å; Y210-Q254 HydrophobicContact CE1-CB 4.13Å
211	E	97.4	Very high	94.1	Very high	13 Å²	13	42.9 Å²	42.9	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	152.4	170	-65	-176.6	155.9	0	0	111.3	G163 R169 P195 Y209 Q254	G163-E211 CarbonylContact O-C 3.49Å; G163-E211 WeakPolarHBondContact O-CA 3.35Å; R169-E211 IonicContact CZ-OE1 3.69Å; R169-E211 IonicContact CZ-OE2 3.9Å; R169-E211 VanDerWaalsContact NH1-CD 3.27Å; R169-E211 IonicContact NH1-OE1 3.95Å; R169-E211 PolarHBondContact NH1-OE1 3.23Å; R169-E211 IonicContact NH1-OE2 2.58Å; R169-E211 PolarHBondContact NH1-OE2 3.33Å; R169-E211 IonicContact NH2-OE1 2.67Å; R169-E211 PolarHBondContact NH2-OE1 3.49Å; R169-E211 IonicContact NH2-OE2 3.47Å; P195-E211 WeakPolarHBondContact CA-OE1 3.46Å; Y209-E211 HydrophobicContact CE1-CG 3.71Å; Y209-E211 HydrophobicContact CE2-CG 4.21Å; Y209-E211 VanDerWaalsContact CZ-CG 3.42Å; Y209-E211 VanDerWaalsContact OH-CD 3.22Å; Y209-E211 WeakPolarHBondContact OH-CG 3.32Å; Y209-E211 PolarHBondContact OH-OE1 3.01Å; E211-Q254 PolarHBondContact O-NE2 3.48Å; E211-Q254 PolarHBondContact O-OE1 3.4Å
212	T	95.9	Very high	94	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.9	-178.2	62.4	0	0	0	0	112.1	L54 V162 G163 Q165 L166 F218 V223	L54-T212 HydrophobicContact CD1-CG2 4.03Å; V162-T212 HydrophobicContact CG1-CG2 3.84Å; G163-T212 PolarHBondContact O-N 3.35Å; Q165-T212 PolarHBondContact N-O 3.02Å; Q165-T212 VanDerWaalsContact N-O 3.08Å; L166-T212 VanDerWaalsContact CB-O 3.3Å; L166-T212 WeakPolarHBondContact CB-O 3.37Å; L166-T212 PolarHBondContact N-O 3.38Å; T212-F218 WeakPolarHBondContact CA-O 3.44Å; T212-V223 HydrophobicContact CG2-CB 4.38Å; T212-V223 HydrophobicContact CG2-CG2 3.44Å; T212-V223 VanDerWaalsContact CG2-CG2 3.44Å
213	S	93.3	Very high	94	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-123.1	114.8	159.8	177.3	0	0	0	0	108.3	D167 V215 A216 Q217 F218	D167-S213 WeakPolarHBondContact CB-OG 3.41Å; D167-S213 WeakPolarHBondContact OD1-CB 3.48Å; D167-S213 PolarHBondContact OD1-OG 2.88Å; S213-V215 PolarHBondContact O-N 3.27Å; S213-V215 PolarHBondContact OG-N 3.39Å; S213-A216 PolarHBondContact OG-N 3.35Å; S213-Q217 CarbonylContact O-C 3.44Å; S213-Q217 WeakPolarHBondContact O-CA 3.28Å; S213-Q217 PolarHBondContact O-N 2.97Å; S213-F218 PolarHBondContact N-O 2.86Å; S213-F218 PolarHBondContact O-N 3.48Å
214	V	88.6	Confident	93.9	Very high	26 Å²	26	36.5 Å²	36.5	16%	0.158	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-31.6	171.1	173.4	0	0	0	0	110.4	R53 A57 L69 Q217	R53-V214 HydrophobicContact CB-CG2 4.36Å; A57-V214 HydrophobicContact CB-CB 4.5Å; A57-V214 HydrophobicContact CB-CG1 3.81Å; A57-V214 HydrophobicContact CB-CG2 4.07Å; L69-V214 HydrophobicContact CD1-CG1 4.39Å; V214-Q217 PolarHBondContact O-N 3.06Å; V214-Q217 PolarHBondContact O-NE2 2.88Å
215	V	85.2	Confident	93.8	Very high	57 Å²	57	31 Å²	31	35%	0.345	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-47.9	178	178.9	0	0	0	0	110.6	D167 S213 Q217	D167-V215 HydrophobicContact CB-CB 4.27Å; S213-V215 PolarHBondContact O-N 3.27Å; S213-V215 PolarHBondContact OG-N 3.39Å; V215-Q217 VanDerWaalsContact C-N 3.28Å; V215-Q217 PolarHBondContact O-N 3.38Å
216	A	87.6	Confident	93.9	Very high	38 Å²	38	29.7 Å²	29.7	31%	0.314	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	2.8	178.2	0	0	0	0	0	113.8	S213 F218 F257	S213-A216 PolarHBondContact OG-N 3.35Å; A216-F218 HydrophobicContact CB-CB 4.32Å; A216-F218 PolarHBondContact O-N 3.33Å; A216-F257 HydrophobicContact CB-CE2 3.83Å; A216-F257 HydrophobicContact CB-CZ 3.81Å
217	Q	88.5	Confident	94	Very high	79 Å²	79	26.4 Å²	26.4	37%	0.369	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	27.6	-170.7	-65.4	-66.7	-48.3	0	0	113.8	S213 V214 V215	S213-Q217 CarbonylContact O-C 3.44Å; S213-Q217 WeakPolarHBondContact O-CA 3.28Å; S213-Q217 PolarHBondContact O-N 2.97Å; V214-Q217 PolarHBondContact O-N 3.06Å; V214-Q217 PolarHBondContact O-NE2 2.88Å; V215-Q217 VanDerWaalsContact C-N 3.28Å; V215-Q217 PolarHBondContact O-N 3.38Å
218	F	93.4	Very high	94	Very high	38 Å²	38	25.5 Å²	25.5	17%	0.167	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-91.1	136.4	-177.7	176.6	-93.7	0	0	0	111.3	L166 T212 S213 A216 V220 Q254 A255 F257	L166-F218 HydrophobicContact CD2-CD1 3.35Å; L166-F218 HydrophobicContact CD2-CE1 3.74Å; L166-F218 HydrophobicContact CD2-CG 4.24Å; T212-F218 WeakPolarHBondContact CA-O 3.44Å; S213-F218 PolarHBondContact N-O 2.86Å; S213-F218 PolarHBondContact O-N 3.48Å; A216-F218 HydrophobicContact CB-CB 4.32Å; A216-F218 PolarHBondContact O-N 3.33Å; F218-V220 PolarHBondContact O-N 2.98Å; F218-V220 VanDerWaalsContact O-N 3.08Å; F218-Q254 HydrophobicContact CE1-CG 4.5Å; F218-Q254 HydrophobicContact CZ-CG 4.08Å; F218-A255 VanDerWaalsContact CZ-O 3.29Å; F218-A255 WeakPolarHBondContact CZ-O 3.26Å; F218-F257 HydrophobicContact CB-CD2 3.72Å; F218-F257 HydrophobicContact CB-CE2 3.99Å; F218-F257 HydrophobicContact CD1-CB 3.91Å; F218-F257 HydrophobicContact CD1-CD2 4.08Å; F218-F257 HydrophobicContact CD1-CG 4.26Å; F218-F257 HydrophobicContact CD2-CB 4.1Å; F218-F257 AromaticContact CD2-CD2 3.45Å; F218-F257 HydrophobicContact CD2-CD2 3.45Å; F218-F257 VanDerWaalsContact CD2-CD2 3.45Å; F218-F257 HydrophobicContact CD2-CE2 4.35Å; F218-F257 HydrophobicContact CD2-CG 4.22Å; F218-F257 HydrophobicContact CE1-CB 3.72Å; F218-F257 HydrophobicContact CE2-CB 3.89Å; F218-F257 HydrophobicContact CE2-CD2 4.05Å; F218-F257 HydrophobicContact CE2-CG 4.48Å; F218-F257 HydrophobicContact CG-CB 4.08Å; F218-F257 AromaticContact CG-CD2 3.44Å; F218-F257 HydrophobicContact CG-CD2 3.44Å; F218-F257 VanDerWaalsContact CG-CD2 3.44Å; F218-F257 HydrophobicContact CG-CE2 4.22Å; F218-F257 HydrophobicContact CG-CG 4.07Å; F218-F257 HydrophobicContact CZ-CB 3.7Å
219	G	94	Very high	94	Very high	5 Å²	5	24.4 Å²	24.4	5%	0.052	13%	0.126	C	C	.	.	S	Bend	trans	72.9	-7.6	172.5	0	0	0	0	0	115.9	D222 V223	G219-D222 PolarHBondContact O-N 3.45Å; G219-V223 WeakPolarHBondContact O-CG2 3.49Å; G219-V223 PolarHBondContact O-N 3.32Å
220	V	92.8	Very high	93.9	Very high	8 Å²	8	23.3 Å²	23.3	5%	0.048	12%	0.124	C	C	.	.	H	α-helix	trans	-59.3	-53	-178.5	178.7	0	0	0	0	110.4	L54 A57 R58 F218 F224	L54-V220 HydrophobicContact CD1-CB 4.41Å; L54-V220 HydrophobicContact CD1-CG1 4.18Å; L54-V220 HydrophobicContact CD1-CG2 4.09Å; A57-V220 HydrophobicContact CB-CG1 4.03Å; A57-V220 HydrophobicContact CB-CG2 4.28Å; R58-V220 HydrophobicContact CB-CG1 4.07Å; F218-V220 PolarHBondContact O-N 2.98Å; F218-V220 VanDerWaalsContact O-N 3.08Å; V220-F224 HydrophobicContact CG1-CD2 4.45Å; V220-F224 HydrophobicContact CG1-CE2 4.38Å; V220-F224 WeakPolarHBondContact O-CD2 3.4Å
221	K	92	Very high	93.8	Very high	109 Å²	109	23.1 Å²	23.1	47%	0.474	12%	0.124	S	C	.	.	H	α-helix	trans	-63.8	-45	177.2	-170.6	177.5	-170.1	-66.5	0	111.5	V223 F224 D225	K221-V223 VanDerWaalsContact C-N 3.31Å; K221-V223 PolarHBondContact O-N 3.3Å; K221-F224 PolarHBondContact O-N 3.32Å; K221-D225 IonicContact NZ-OD1 2.87Å; K221-D225 IonicContact NZ-OD2 3.79Å; K221-D225 PolarHBondContact NZ-OD2 3.17Å; K221-D225 WeakPolarHBondContact O-CB 3.5Å; K221-D225 PolarHBondContact O-N 3.2Å
222	D	94.6	Very high	93.7	Very high	59 Å²	59	22.6 Å²	22.6	32%	0.316	12%	0.121	S	C	.	.	H	α-helix	trans	-55.5	-45.3	-178.7	-57.6	-27	0	0	0	112.1	G219 F224 N226 Q254	G219-D222 PolarHBondContact O-N 3.45Å; D222-F224 PolarHBondContact O-N 3.07Å; D222-N226 VanDerWaalsContact O-CB 3.23Å; D222-N226 WeakPolarHBondContact O-CB 3.49Å; D222-N226 VanDerWaalsContact O-CG 3.29Å; D222-N226 PolarHBondContact O-N 3.25Å; D222-N226 PolarHBondContact O-ND2 2.64Å; D222-Q254 PolarHBondContact OD2-NE2 3.11Å
223	V	96.3	Very high	93.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.9	-50.2	178.9	164.2	0	0	0	0	111.1	V128 V162 Y210 T212 G219 K221 A227	V128-V223 HydrophobicContact CG1-CG1 4.02Å; V128-V223 HydrophobicContact CG2-CG1 4.33Å; V162-V223 HydrophobicContact CG1-CG2 3.97Å; V162-V223 HydrophobicContact CG2-CB 4.48Å; V162-V223 HydrophobicContact CG2-CG1 3.75Å; V162-V223 HydrophobicContact CG2-CG2 3.81Å; Y210-V223 HydrophobicContact CG-CG2 4.22Å; T212-V223 HydrophobicContact CG2-CB 4.38Å; T212-V223 HydrophobicContact CG2-CG2 3.44Å; T212-V223 VanDerWaalsContact CG2-CG2 3.44Å; G219-V223 WeakPolarHBondContact O-CG2 3.49Å; G219-V223 PolarHBondContact O-N 3.32Å; K221-V223 VanDerWaalsContact C-N 3.31Å; K221-V223 PolarHBondContact O-N 3.3Å; V223-A227 VanDerWaalsContact O-CB 3.31Å; V223-A227 WeakPolarHBondContact O-CB 3.49Å; V223-A227 PolarHBondContact O-N 2.92Å
224	F	95.4	Very high	93.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-75.1	-37.9	-174.2	-70.1	-67.1	0	0	0	112.7	V43 L54 R58 L104 L106 V220 K221 D222 N226 A227 I228	V43-F224 HydrophobicContact CG2-CE1 4.49Å; L54-F224 HydrophobicContact CD1-CE2 4.09Å; L54-F224 HydrophobicContact CD2-CZ 4.41Å; L54-F224 HydrophobicContact CG-CE2 3.93Å; L54-F224 HydrophobicContact CG-CZ 4Å; R58-F224 HydrophobicContact CB-CD2 3.54Å; R58-F224 HydrophobicContact CB-CE2 3.37Å; R58-F224 HydrophobicContact CB-CG 4.45Å; R58-F224 HydrophobicContact CB-CZ 4.15Å; R58-F224 HydrophobicContact CG-CB 4.43Å; R58-F224 HydrophobicContact CG-CD2 3.43Å; R58-F224 VanDerWaalsContact CG-CD2 3.43Å; R58-F224 HydrophobicContact CG-CE2 3.75Å; R58-F224 HydrophobicContact CG-CG 3.89Å; R58-F224 HydrophobicContact CG-CZ 4.43Å; L104-F224 HydrophobicContact CD2-CB 3.99Å; L104-F224 HydrophobicContact CD2-CD1 4.01Å; L104-F224 HydrophobicContact CD2-CG 4.21Å; L106-F224 HydrophobicContact CD2-CD1 3.74Å; L106-F224 HydrophobicContact CD2-CE1 3.38Å; L106-F224 HydrophobicContact CD2-CZ 4.15Å; V220-F224 HydrophobicContact CG1-CD2 4.45Å; V220-F224 HydrophobicContact CG1-CE2 4.38Å; V220-F224 WeakPolarHBondContact O-CD2 3.4Å; K221-F224 PolarHBondContact O-N 3.32Å; D222-F224 PolarHBondContact O-N 3.07Å; F224-N226 VanDerWaalsContact C-N 3.32Å; F224-N226 PolarHBondContact O-N 3.07Å; F224-A227 WeakPolarHBondContact O-CB 3.33Å; F224-A227 PolarHBondContact O-N 2.7Å; F224-I228 WeakPolarHBondContact O-CB 3.46Å; F224-I228 WeakPolarHBondContact O-CD1 3.46Å; F224-I228 VanDerWaalsContact O-CG1 3.27Å; F224-I228 WeakPolarHBondContact O-CG1 3.43Å; F224-I228 PolarHBondContact O-N 3.03Å
225	D	95.6	Very high	93.5	Very high	13 Å²	13	25.2 Å²	25.2	7%	0.07	13%	0.134	C	C	.	.	H	α-helix	trans	-62	-42.4	173.7	-74.4	10.4	0	0	0	111.1	R58 K221 I228 R229	R58-D225 IonicContact NH2-OD1 3.99Å; K221-D225 IonicContact NZ-OD1 2.87Å; K221-D225 IonicContact NZ-OD2 3.79Å; K221-D225 PolarHBondContact NZ-OD2 3.17Å; K221-D225 WeakPolarHBondContact O-CB 3.5Å; K221-D225 PolarHBondContact O-N 3.2Å; D225-I228 WeakPolarHBondContact O-CB 3.35Å; D225-I228 PolarHBondContact O-N 3.22Å; D225-R229 WeakPolarHBondContact O-CG 3.09Å; D225-R229 PolarHBondContact O-N 3.24Å
226	N	97.3	Very high	93.6	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-73.6	-30	178.4	-71.3	-51.9	0	0	0	112.6	I160 Y210 D222 F224 R229 A230 P251 L252	I160-N226 VanDerWaalsContact CD1-C 3.45Å; I160-N226 HydrophobicContact CD1-CB 4.28Å; I160-N226 WeakPolarHBondContact CD1-O 3.37Å; Y210-N226 HydrophobicContact CE1-CB 4.27Å; Y210-N226 VanDerWaalsContact CE1-ND2 3.32Å; Y210-N226 WeakPolarHBondContact CE1-ND2 3.43Å; Y210-N226 HydrophobicContact CE2-CB 3.97Å; Y210-N226 WeakPolarHBondContact OH-CB 3.44Å; Y210-N226 VanDerWaalsContact OH-CG 3.26Å; Y210-N226 PolarHBondContact OH-ND2 3.33Å; D222-N226 VanDerWaalsContact O-CB 3.23Å; D222-N226 WeakPolarHBondContact O-CB 3.49Å; D222-N226 VanDerWaalsContact O-CG 3.29Å; D222-N226 PolarHBondContact O-N 3.25Å; D222-N226 PolarHBondContact O-ND2 2.64Å; F224-N226 VanDerWaalsContact C-N 3.32Å; F224-N226 PolarHBondContact O-N 3.07Å; N226-R229 PolarHBondContact O-N 3.06Å; N226-R229 PolarHBondContact OD1-NH1 3.18Å; N226-A230 WeakPolarHBondContact O-CB 3.37Å; N226-A230 PolarHBondContact O-N 3.28Å; N226-P251 HydrophobicContact CB-CB 4.17Å; N226-P251 WeakPolarHBondContact OD1-CA 3.18Å; N226-L252 PolarHBondContact OD1-N 3.11Å
227	A	97.3	Very high	93.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.3	-43.3	168.8	0	0	0	0	0	111.4	V126 V128 I160 V223 F224 A230 A231	V126-A227 HydrophobicContact CG1-CB 4.08Å; V126-A227 HydrophobicContact CG2-CB 3.89Å; V128-A227 HydrophobicContact CG2-CB 4.11Å; I160-A227 HydrophobicContact CD1-CB 3.98Å; I160-A227 VanDerWaalsContact CD1-N 3.33Å; V223-A227 VanDerWaalsContact O-CB 3.31Å; V223-A227 WeakPolarHBondContact O-CB 3.49Å; V223-A227 PolarHBondContact O-N 2.92Å; F224-A227 WeakPolarHBondContact O-CB 3.33Å; F224-A227 PolarHBondContact O-N 2.7Å; A227-A230 PolarHBondContact O-N 3.47Å; A227-A231 WeakPolarHBondContact O-CB 3.41Å; A227-A231 PolarHBondContact O-N 2.68Å
228	I	96.5	Very high	93.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.7	-50.3	173.1	-72.6	160	0	0	0	110.5	I39 V97 V102 L104 F224 D225 A230 A231 L232	I39-I228 HydrophobicContact CD1-CB 4.08Å; I39-I228 HydrophobicContact CD1-CG1 3.99Å; I39-I228 HydrophobicContact CD1-CG2 3.62Å; V97-I228 HydrophobicContact CB-CG2 3.79Å; V97-I228 HydrophobicContact CG1-CG2 3.99Å; V97-I228 HydrophobicContact CG2-CB 4.35Å; V97-I228 HydrophobicContact CG2-CD1 3.93Å; V97-I228 HydrophobicContact CG2-CG2 3.86Å; V102-I228 HydrophobicContact CG1-CG2 3.95Å; V102-I228 HydrophobicContact CG2-CD1 4.05Å; V102-I228 HydrophobicContact CG2-CG2 4.24Å; L104-I228 HydrophobicContact CB-CD1 4.36Å; L104-I228 HydrophobicContact CD1-CD1 4.3Å; L104-I228 HydrophobicContact CD1-CG1 3.97Å; L104-I228 HydrophobicContact CD2-CD1 4.1Å; L104-I228 HydrophobicContact CG-CD1 4.49Å; F224-I228 WeakPolarHBondContact O-CB 3.46Å; F224-I228 WeakPolarHBondContact O-CD1 3.46Å; F224-I228 VanDerWaalsContact O-CG1 3.27Å; F224-I228 WeakPolarHBondContact O-CG1 3.43Å; F224-I228 PolarHBondContact O-N 3.03Å; D225-I228 WeakPolarHBondContact O-CB 3.35Å; D225-I228 PolarHBondContact O-N 3.22Å; I228-A230 VanDerWaalsContact C-N 3.31Å; I228-A230 PolarHBondContact O-N 2.81Å; I228-A231 WeakPolarHBondContact O-CB 3.2Å; I228-A231 PolarHBondContact O-N 3.05Å; I228-L232 HydrophobicContact CG2-CD1 3.8Å; I228-L232 HydrophobicContact CG2-CG 4.21Å; I228-L232 WeakPolarHBondContact O-CB 3.35Å; I228-L232 WeakPolarHBondContact O-CG 3.41Å; I228-L232 PolarHBondContact O-N 3.4Å
229	R	96.5	Very high	92.7	Very high	21 Å²	21	32.8 Å²	32.8	8%	0.079	16%	0.159	C	C	.	.	H	α-helix	trans	-55.7	-45.5	176.4	-73.5	-177.9	-174.3	101.2	9.5	112.1	V97 D98 D225 N226 L232 I233 V248 Q249	V97-R229 HydrophobicContact CG1-CG 3.86Å; D98-R229 IonicContact OD1-CZ 3.85Å; D98-R229 IonicContact OD1-NE 2.83Å; D98-R229 PolarHBondContact OD1-NE 2.83Å; D98-R229 VanDerWaalsContact OD1-NE 3.08Å; D98-R229 IonicContact OD1-NH2 3.48Å; D98-R229 PolarHBondContact OD1-NH2 2.79Å; D98-R229 WeakPolarHBondContact OD2-CD 3.08Å; D98-R229 WeakPolarHBondContact OD2-CG 3.17Å; D98-R229 IonicContact OD2-CZ 3.94Å; D98-R229 IonicContact OD2-NE 2.72Å; D98-R229 PolarHBondContact OD2-NE 3.2Å; D225-R229 WeakPolarHBondContact O-CG 3.09Å; D225-R229 PolarHBondContact O-N 3.24Å; N226-R229 PolarHBondContact O-N 3.06Å; N226-R229 PolarHBondContact OD1-NH1 3.18Å; R229-L232 PolarHBondContact O-N 3.48Å; R229-I233 WeakPolarHBondContact O-CB 3.42Å; R229-I233 VanDerWaalsContact O-CG1 3.3Å; R229-I233 WeakPolarHBondContact O-CG1 3.42Å; R229-I233 PolarHBondContact O-N 3.02Å; R229-V248 HydrophobicContact CB-CG1 4.36Å; R229-V248 HydrophobicContact CG-CG1 4.31Å; R229-Q249 WeakPolarHBondContact CD-O 3.39Å
230	A	96.4	Very high	92	Very high	12 Å²	12	39.8 Å²	39.8	10%	0.099	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-44.4	178.4	0	0	0	0	0	111.9	P158 I160 N226 A227 I228 S234 P251	P158-A230 HydrophobicContact CB-CB 3.95Å; P158-A230 HydrophobicContact CG-CB 4.05Å; I160-A230 HydrophobicContact CD1-CB 4.22Å; N226-A230 WeakPolarHBondContact O-CB 3.37Å; N226-A230 PolarHBondContact O-N 3.28Å; A227-A230 PolarHBondContact O-N 3.47Å; I228-A230 VanDerWaalsContact C-N 3.31Å; I228-A230 PolarHBondContact O-N 2.81Å; A230-S234 WeakPolarHBondContact O-CB 3.3Å; A230-S234 PolarHBondContact O-N 3.29Å; A230-P251 HydrophobicContact CB-CG 4.17Å
231	A	95.7	Very high	91.2	Very high	2 Å²	2	47.5 Å²	47.5	2%	0.017	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-50.4	175.5	0	0	0	0	0	112	I39 D125 V126 A227 I228 I233 S234 R235	I39-A231 HydrophobicContact CD1-CB 4.31Å; I39-A231 HydrophobicContact CG2-CB 3.83Å; D125-A231 HydrophobicContact CB-CB 4.09Å; V126-A231 HydrophobicContact CB-CB 4.05Å; V126-A231 HydrophobicContact CG1-CB 4.16Å; A227-A231 WeakPolarHBondContact O-CB 3.41Å; A227-A231 PolarHBondContact O-N 2.68Å; I228-A231 WeakPolarHBondContact O-CB 3.2Å; I228-A231 PolarHBondContact O-N 3.05Å; A231-I233 PolarHBondContact O-N 2.66Å; A231-S234 PolarHBondContact O-N 2.86Å; A231-R235 WeakPolarHBondContact O-CB 3.44Å; A231-R235 PolarHBondContact O-N 3.11Å
232	L	94.3	Very high	90.7	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-64.1	-38.7	-178.5	-69.4	179.3	0	0	0	112	E37 I39 V100 V102 I228 R229 R235 R236 L245 V248	E37-L232 HydrophobicContact CB-CD2 3.91Å; E37-L232 HydrophobicContact CG-CD2 4.05Å; I39-L232 HydrophobicContact CD1-CD2 3.91Å; I39-L232 HydrophobicContact CD1-CG 3.96Å; V100-L232 HydrophobicContact CB-CD1 4.1Å; V100-L232 HydrophobicContact CG1-CD1 4.05Å; V100-L232 HydrophobicContact CG1-CD2 4.44Å; V100-L232 HydrophobicContact CG2-CD1 4.41Å; V102-L232 HydrophobicContact CG1-CD1 4.07Å; V102-L232 HydrophobicContact CG1-CD2 4.47Å; I228-L232 HydrophobicContact CG2-CD1 3.8Å; I228-L232 HydrophobicContact CG2-CG 4.21Å; I228-L232 WeakPolarHBondContact O-CB 3.35Å; I228-L232 WeakPolarHBondContact O-CG 3.41Å; I228-L232 PolarHBondContact O-N 3.4Å; R229-L232 PolarHBondContact O-N 3.48Å; L232-R235 PolarHBondContact O-N 3.36Å; L232-R236 WeakPolarHBondContact O-CB 3.33Å; L232-R236 PolarHBondContact O-N 3.46Å; L232-L245 HydrophobicContact CD2-CD2 3.98Å; L232-V248 HydrophobicContact CB-CG1 3.98Å; L232-V248 HydrophobicContact CB-CG2 4.2Å; L232-V248 HydrophobicContact CD1-CG1 4.35Å; L232-V248 HydrophobicContact CD1-CG2 4.07Å
233	I	92.1	Very high	89.9	Confident	24 Å²	24	45.6 Å²	45.6	12%	0.123	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-48.8	173.4	-73.4	165.6	0	0	0	110.6	R229 A231 R235 R236 H237 V248 Q249 R250	R229-I233 WeakPolarHBondContact O-CB 3.42Å; R229-I233 VanDerWaalsContact O-CG1 3.3Å; R229-I233 WeakPolarHBondContact O-CG1 3.42Å; R229-I233 PolarHBondContact O-N 3.02Å; A231-I233 PolarHBondContact O-N 2.66Å; I233-R235 VanDerWaalsContact C-N 3.29Å; I233-R235 PolarHBondContact O-N 2.97Å; I233-R236 WeakPolarHBondContact O-CB 3.48Å; I233-R236 PolarHBondContact O-N 3.29Å; I233-R236 VanDerWaalsContact O-N 3.17Å; I233-H237 PolarHBondContact O-CD2 2.94Å; I233-H237 PolarHBondContact O-N 3.11Å; I233-H237 VanDerWaalsContact O-N 3.07Å; I233-V248 HydrophobicContact CD1-CG1 4.47Å; I233-V248 HydrophobicContact CG1-CG1 4.03Å; I233-Q249 VanDerWaalsContact CD1-O 3.23Å; I233-Q249 WeakPolarHBondContact CD1-O 3.46Å; I233-R250 HydrophobicContact CD1-CB 4.5Å; I233-R250 HydrophobicContact CD1-CG 4.31Å
234	S	91.8	Very high	89.2	Confident	30 Å²	30	48.8 Å²	48.8	21%	0.21	23%	0.23	C	C	.	.	H	α-helix	trans	-57.7	-43.9	177	-172.7	0	0	0	0	111.2	R156 A230 A231 R236 H237 L238	R156-S234 PolarHBondContact O-OG 3.38Å; A230-S234 WeakPolarHBondContact O-CB 3.3Å; A230-S234 PolarHBondContact O-N 3.29Å; A231-S234 PolarHBondContact O-N 2.86Å; S234-R236 PolarHBondContact O-N 3.46Å; S234-H237 WeakPolarHBondContact O-CB 3.46Å; S234-H237 PolarHBondContact O-N 3.05Å; S234-H237 VanDerWaalsContact O-N 3.17Å; S234-L238 PolarHBondContact O-N 2.81Å
235	R	90.6	Very high	88.8	Confident	30 Å²	30	48.8 Å²	48.8	11%	0.113	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-42	175.7	-172.1	174.5	-66.6	161.2	-0.2	112.4	E37 T38 D125 A231 L232 I233 H237 L238 Q239 L245	E37-R235 VanDerWaalsContact OE2-CD 3.22Å; E37-R235 WeakPolarHBondContact OE2-CD 3.49Å; E37-R235 IonicContact OE2-CZ 3.88Å; E37-R235 IonicContact OE2-NE 3.55Å; E37-R235 IonicContact OE2-NH1 2.74Å; E37-R235 PolarHBondContact OE2-NH1 3.16Å; T38-R235 PolarHBondContact O-NH1 3.45Å; T38-R235 VanDerWaalsContact O-NH1 3.07Å; T38-R235 PolarHBondContact O-NH2 3.41Å; D125-R235 IonicContact OD1-CZ 2.63Å; D125-R235 IonicContact OD1-NE 3.41Å; D125-R235 IonicContact OD1-NH2 3.13Å; D125-R235 PolarHBondContact OD1-NH2 3.14Å; D125-R235 IonicContact OD2-NH2 2.77Å; D125-R235 PolarHBondContact OD2-NH2 3.19Å; D125-R235 VanDerWaalsContact OD2-NH2 3.14Å; A231-R235 WeakPolarHBondContact O-CB 3.44Å; A231-R235 PolarHBondContact O-N 3.11Å; L232-R235 PolarHBondContact O-N 3.36Å; I233-R235 VanDerWaalsContact C-N 3.29Å; I233-R235 PolarHBondContact O-N 2.97Å; R235-H237 VanDerWaalsContact C-N 3.27Å; R235-H237 PolarHBondContact O-N 2.9Å; R235-L238 CarbonylContact O-C 3.6Å; R235-L238 PolarHBondContact O-N 2.76Å; R235-Q239 WeakPolarHBondContact O-CB 3.33Å; R235-Q239 PolarHBondContact O-N 2.99Å; R235-L245 HydrophobicContact CG-CD1 4.4Å
236	R	87.2	Confident	88.2	Confident	70 Å²	70	56.3 Å²	56.3	26%	0.264	26%	0.258	S	S	.	.	H	α-helix	trans	-59	-38.4	174.4	-176	-174.9	72.5	-167.8	-0.9	112	L232 I233 S234 L238 Q239 F240 L245 R246	L232-R236 WeakPolarHBondContact O-CB 3.33Å; L232-R236 PolarHBondContact O-N 3.46Å; I233-R236 WeakPolarHBondContact O-CB 3.48Å; I233-R236 PolarHBondContact O-N 3.29Å; I233-R236 VanDerWaalsContact O-N 3.17Å; S234-R236 PolarHBondContact O-N 3.46Å; R236-L238 VanDerWaalsContact C-N 3.27Å; R236-L238 PolarHBondContact O-N 3.41Å; R236-Q239 CarbonylContact O-C 3.46Å; R236-Q239 PolarHBondContact O-N 2.91Å; R236-F240 WeakPolarHBondContact O-CA 3.36Å; R236-F240 PolarHBondContact O-N 2.95Å; R236-L245 HydrophobicContact CB-CB 4.15Å; R236-L245 HydrophobicContact CB-CD1 4.4Å; R236-L245 WeakPolarHBondContact CD-O 3.47Å; R236-L245 HydrophobicContact CG-CB 4.27Å; R236-R246 PolarHBondContact NH1-O 3.48Å
237	H	84.8	Confident	87.6	Confident	136 Å²	136	62.3 Å²	62.3	63%	0.63	29%	0.29	S	S	*	.	H	α-helix	trans	-65.3	-31.3	175.9	-72.8	-69.6	0	0	0	112.6	I233 S234 R235	I233-H237 PolarHBondContact O-CD2 2.94Å; I233-H237 PolarHBondContact O-N 3.11Å; I233-H237 VanDerWaalsContact O-N 3.07Å; S234-H237 WeakPolarHBondContact O-CB 3.46Å; S234-H237 PolarHBondContact O-N 3.05Å; S234-H237 VanDerWaalsContact O-N 3.17Å; R235-H237 VanDerWaalsContact C-N 3.27Å; R235-H237 PolarHBondContact O-N 2.9Å
238	L	82.7	Confident	87.3	Confident	100 Å²	100	62.8 Å²	62.8	52%	0.524	29%	0.292	S	S	.	.	H	α-helix	trans	-85.6	-29.2	177	-62.2	173.1	0	0	0	113.2	S234 R235 R236	S234-L238 PolarHBondContact O-N 2.81Å; R235-L238 CarbonylContact O-C 3.6Å; R235-L238 PolarHBondContact O-N 2.76Å; R236-L238 VanDerWaalsContact C-N 3.27Å; R236-L238 PolarHBondContact O-N 3.41Å
239	Q	83.7	Confident	87	Confident	65 Å²	65	67.6 Å²	67.6	30%	0.304	32%	0.315	S	S	.	.			trans	-128.3	64.2	-173.8	-62.7	-179.5	-10.3	0	0	110.8	R235 R236 W241 K242	R235-Q239 WeakPolarHBondContact O-CB 3.33Å; R235-Q239 PolarHBondContact O-N 2.99Å; R236-Q239 CarbonylContact O-C 3.46Å; R236-Q239 PolarHBondContact O-N 2.91Å; Q239-W241 HydrophobicContact CB-CZ2 4.33Å; Q239-W241 HydrophobicContact CG-CZ2 4.28Å; Q239-W241 PolarHBondContact O-N 2.84Å; Q239-K242 HydrophobicContact CB-CD 4.26Å; Q239-K242 HydrophobicContact CB-CG 4.33Å; Q239-K242 PolarHBondContact O-N 3.23Å; Q239-K242 VanDerWaalsContact O-N 3.08Å; Q239-K242 VanDerWaalsContact OE1-CD 3.29Å; Q239-K242 VanDerWaalsContact OE1-NZ 3.1Å
240	F	77.7	Confident	86.7	Confident	151 Å²	151	74.6 Å²	74.6	66%	0.662	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-18	-170.5	68.5	-94.2	0	0	0	115	R236 K242	R236-F240 WeakPolarHBondContact O-CA 3.36Å; R236-F240 PolarHBondContact O-N 2.95Å; F240-K242 VanDerWaalsContact C-N 3.31Å
241	W	77.4	Confident	86.6	Confident	171 Å²	171	75.2 Å²	75.2	65%	0.648	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-14.2	176.8	49.2	85.2	0	0	0	113.9	Q239 S243	Q239-W241 HydrophobicContact CB-CZ2 4.33Å; Q239-W241 HydrophobicContact CG-CZ2 4.28Å; Q239-W241 PolarHBondContact O-N 2.84Å; W241-S243 PolarHBondContact O-N 3.05Å
242	K	80	Confident	86.5	Confident	51 Å²	51	78 Å²	78	22%	0.222	36%	0.359	C	S	.	.			trans	-73.7	95.2	174.9	-74	-170.7	166.6	-172.2	0	111.1	E37 Q239 F240 L245	E37-K242 IonicContact OE1-NZ 3.27Å; E37-K242 PolarHBondContact OE1-NZ 2.73Å; E37-K242 IonicContact OE2-NZ 2.63Å; E37-K242 PolarHBondContact OE2-NZ 2.85Å; E37-K242 VanDerWaalsContact OE2-NZ 3.13Å; Q239-K242 HydrophobicContact CB-CD 4.26Å; Q239-K242 HydrophobicContact CB-CG 4.33Å; Q239-K242 PolarHBondContact O-N 3.23Å; Q239-K242 VanDerWaalsContact O-N 3.08Å; Q239-K242 VanDerWaalsContact OE1-CD 3.29Å; Q239-K242 VanDerWaalsContact OE1-NZ 3.1Å; F240-K242 VanDerWaalsContact C-N 3.31Å; K242-L245 HydrophobicContact CB-CD1 3.92Å; K242-L245 HydrophobicContact CB-CG 4.07Å; K242-L245 HydrophobicContact CD-CD1 3.86Å; K242-L245 PolarHBondContact O-N 3.42Å
243	S	79.1	Confident	86.5	Confident	76 Å²	76	80.8 Å²	80.8	53%	0.531	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-69.3	-30.3	-175.7	55.4	0	0	0	0	113.9	W241 L245 R246	W241-S243 PolarHBondContact O-N 3.05Å; S243-L245 PolarHBondContact O-N 2.95Å; S243-R246 VanDerWaalsContact O-CB 3.32Å; S243-R246 WeakPolarHBondContact O-CB 3.45Å; S243-R246 VanDerWaalsContact O-CG 3.25Å; S243-R246 WeakPolarHBondContact O-CG 3.41Å; S243-R246 PolarHBondContact O-N 3.04Å; S243-R246 VanDerWaalsContact O-N 3.15Å
244	H	82.2	Confident	86.6	Confident	68 Å²	68	81.4 Å²	81.4	32%	0.315	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-65.1	-19.2	177.9	63.1	-72.2	0	0	0	113.3	E37	E37-H244 IonicContact OE1-CE1 2.69Å; E37-H244 PolarHBondContact OE1-CE1 3.36Å; E37-H244 IonicContact OE1-NE2 3.61Å; E37-H244 PolarHBondContact OE1-NE2 2.95Å
245	L	85.9	Confident	86.8	Confident	0 Å²	0	82.3 Å²	82.3	0%	0	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-86.5	-2.3	177.1	-56.1	-176.4	0	0	0	113.7	E37 V100 L232 R235 R236 K242 S243 N247 V248	E37-L245 HydrophobicContact CG-CD2 4.22Å; V100-L245 HydrophobicContact CG1-CD2 4.05Å; V100-L245 HydrophobicContact CG2-CD2 4.17Å; L232-L245 HydrophobicContact CD2-CD2 3.98Å; R235-L245 HydrophobicContact CG-CD1 4.4Å; R236-L245 HydrophobicContact CB-CB 4.15Å; R236-L245 HydrophobicContact CB-CD1 4.4Å; R236-L245 WeakPolarHBondContact CD-O 3.47Å; R236-L245 HydrophobicContact CG-CB 4.27Å; K242-L245 HydrophobicContact CB-CD1 3.92Å; K242-L245 HydrophobicContact CB-CG 4.07Å; K242-L245 HydrophobicContact CD-CD1 3.86Å; K242-L245 PolarHBondContact O-N 3.42Å; S243-L245 PolarHBondContact O-N 2.95Å; L245-N247 VanDerWaalsContact C-N 3.32Å; L245-N247 PolarHBondContact O-N 3Å; L245-V248 HydrophobicContact CB-CG2 4.48Å; L245-V248 HydrophobicContact CD2-CG2 4.44Å; L245-V248 WeakPolarHBondContact O-CG2 3.41Å; L245-V248 PolarHBondContact O-N 3.46Å
246	R	82.8	Confident	87	Confident	170 Å²	170	82.1 Å²	82.1	64%	0.642	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-33.7	-173.7	-73.9	177.9	179.1	-161	1.9	113.3	R236 S243	R236-R246 PolarHBondContact NH1-O 3.48Å; S243-R246 VanDerWaalsContact O-CB 3.32Å; S243-R246 WeakPolarHBondContact O-CB 3.45Å; S243-R246 VanDerWaalsContact O-CG 3.25Å; S243-R246 WeakPolarHBondContact O-CG 3.41Å; S243-R246 PolarHBondContact O-N 3.04Å; S243-R246 VanDerWaalsContact O-N 3.15Å
247	N	85.7	Confident	87.3	Confident	131 Å²	131	80.2 Å²	80.2	70%	0.701	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-2	-174.6	-62.6	-20	0	0	0	113.8	L245 Q249	L245-N247 VanDerWaalsContact C-N 3.32Å; L245-N247 PolarHBondContact O-N 3Å; N247-Q249 PolarHBondContact O-N 2.83Å
248	V	89.4	Confident	87.7	Confident	9 Å²	9	77 Å²	77	6%	0.055	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-58.8	126.3	177	178.6	0	0	0	0	109.8	V100 R229 L232 I233 L245	V100-V248 HydrophobicContact CG2-CG2 3.79Å; R229-V248 HydrophobicContact CB-CG1 4.36Å; R229-V248 HydrophobicContact CG-CG1 4.31Å; L232-V248 HydrophobicContact CB-CG1 3.98Å; L232-V248 HydrophobicContact CB-CG2 4.2Å; L232-V248 HydrophobicContact CD1-CG1 4.35Å; L232-V248 HydrophobicContact CD1-CG2 4.07Å; I233-V248 HydrophobicContact CD1-CG1 4.47Å; I233-V248 HydrophobicContact CG1-CG1 4.03Å; L245-V248 HydrophobicContact CB-CG2 4.48Å; L245-V248 HydrophobicContact CD2-CG2 4.44Å; L245-V248 WeakPolarHBondContact O-CG2 3.41Å; L245-V248 PolarHBondContact O-N 3.46Å
249	Q	90.4	Very high	88.2	Confident	101 Å²	101	72.5 Å²	72.5	47%	0.472	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-78.6	155	-177.3	-56.5	-175.7	8.9	0	0	110.4	D98 R229 I233 N247	D98-Q249 WeakPolarHBondContact OD2-CB 3.3Å; D98-Q249 PolarHBondContact OD2-N 3.37Å; R229-Q249 WeakPolarHBondContact CD-O 3.39Å; I233-Q249 VanDerWaalsContact CD1-O 3.23Å; I233-Q249 WeakPolarHBondContact CD1-O 3.46Å; N247-Q249 PolarHBondContact O-N 2.83Å
250	R	90.6	Very high	88.6	Confident	168 Å²	168	73.4 Å²	73.4	63%	0.634	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-64.3	154.1	168.9	-66.2	179.8	179.5	-178	-0.1	109.6	I233 L252	I233-R250 HydrophobicContact CD1-CB 4.5Å; I233-R250 HydrophobicContact CD1-CG 4.31Å; R250-L252 PolarHBondContact O-N 2.99Å; R250-L252 VanDerWaalsContact O-N 3.16Å
251	P	94.6	Very high	89.2	Confident	26 Å²	26	71 Å²	71	17%	0.169	35%	0.346	C	S	.	.			trans	-45.4	124.3	172.5	-30.7	37	0	0	0	112.1	P208 Y210 N226 A230 R683	P208-P251 HydrophobicContact CB-CB 4.43Å; P208-P251 HydrophobicContact CG-CB 4.45Å; Y210-P251 WeakPolarHBondContact OH-CB 3.47Å; N226-P251 HydrophobicContact CB-CB 4.17Å; N226-P251 WeakPolarHBondContact OD1-CA 3.18Å; A230-P251 HydrophobicContact CB-CG 4.17Å; P251-R683 PolarHBondContact O-NH1 3.07Å; P251-R683 PolarHBondContact O-NH2 2.97Å
252	L	94.4	Very high	89.9	Confident	59 Å²	59	65.5 Å²	65.5	31%	0.309	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-75	153.9	-173.9	-60.9	-176.7	0	0	0	111.4	Y210 N226 R250	Y210-L252 VanDerWaalsContact CE1-O 3.29Å; Y210-L252 WeakPolarHBondContact CE1-O 3.3Å; Y210-L252 PolarHBondContact OH-O 3.35Å; N226-L252 PolarHBondContact OD1-N 3.11Å; R250-L252 PolarHBondContact O-N 2.99Å; R250-L252 VanDerWaalsContact O-N 3.16Å
253	L	93.6	Very high	90.4	Very high	61 Å²	61	68.2 Å²	68.2	32%	0.319	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-72.4	136.8	170.6	-64.1	175.1	0	0	0	109.4	Y676 A679 R680	L253-Y676 HydrophobicContact CB-CD2 4.24Å; L253-Y676 HydrophobicContact CB-CE2 3.85Å; L253-A679 HydrophobicContact CD1-CB 3.84Å; L253-A679 HydrophobicContact CD2-CB 4.42Å; L253-R680 HydrophobicContact CD1-CB 4.33Å
254	Q	94.4	Very high	91	Very high	37 Å²	37	68.4 Å²	68.4	17%	0.173	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-86	126.7	173.5	-167.8	177.5	38.6	0	0	109.7	Y210 E211 F218 D222 Y676	Y210-Q254 HydrophobicContact CD1-CB 3.77Å; Y210-Q254 HydrophobicContact CD1-CG 4.34Å; Y210-Q254 HydrophobicContact CE1-CB 4.13Å; E211-Q254 PolarHBondContact O-NE2 3.48Å; E211-Q254 PolarHBondContact O-OE1 3.4Å; F218-Q254 HydrophobicContact CE1-CG 4.5Å; F218-Q254 HydrophobicContact CZ-CG 4.08Å; D222-Q254 PolarHBondContact OD2-NE2 3.11Å; Q254-Y676 WeakPolarHBondContact O-CD2 3.5Å
255	A	95.1	Very high	91.6	Very high	48 Å²	48	67.7 Å²	67.7	40%	0.397	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-66	141.4	169.1	0	0	0	0	0	109.3	F218 Y676	F218-A255 VanDerWaalsContact CZ-O 3.29Å; F218-A255 WeakPolarHBondContact CZ-O 3.26Å; A255-Y676 HydrophobicContact CB-CE1 4.32Å; A255-Y676 HydrophobicContact CB-CE2 4.2Å
256	P	94.8	Very high	91.9	Very high	27 Å²	27	74.7 Å²	74.7	18%	0.175	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-68.4	147.5	-177.8	30.3	-37.1	0	0	0	111.8	L258 Y669 E672 D673	P256-L258 PolarHBondContact O-N 3.06Å; P256-Y669 HydrophobicContact CB-CD2 4.23Å; P256-Y669 HydrophobicContact CB-CE2 4.11Å; P256-Y669 HydrophobicContact CG-CD2 4.44Å; P256-Y669 HydrophobicContact CG-CE2 3.9Å; P256-E672 HydrophobicContact CB-CB 3.66Å; P256-E672 HydrophobicContact CG-CB 4.37Å; P256-D673 HydrophobicContact CG-CB 4.07Å
257	F	94.3	Very high	92.5	Very high	29 Å²	29	67.5 Å²	67.5	13%	0.127	37%	0.366	C	S	.	.			trans	-75.1	113.8	176.2	179.5	-103	0	0	0	110.9	L166 Y170 A216 F218 P259 W668 Y669	L166-F257 HydrophobicContact CD2-CB 3.57Å; L166-F257 HydrophobicContact CD2-CD1 3.98Å; L166-F257 HydrophobicContact CD2-CD2 4.46Å; L166-F257 HydrophobicContact CD2-CG 3.75Å; L166-F257 HydrophobicContact CG-CD1 4.3Å; Y170-F257 HydrophobicContact CD1-CE1 4.01Å; Y170-F257 HydrophobicContact CE1-CD1 4.12Å; Y170-F257 AromaticContact CE1-CE1 3.26Å; Y170-F257 HydrophobicContact CE1-CE1 3.26Å; Y170-F257 HydrophobicContact CE1-CZ 4Å; Y170-F257 AromaticContact CZ-CE1 3.74Å; A216-F257 HydrophobicContact CB-CE2 3.83Å; A216-F257 HydrophobicContact CB-CZ 3.81Å; F218-F257 HydrophobicContact CB-CD2 3.72Å; F218-F257 HydrophobicContact CB-CE2 3.99Å; F218-F257 HydrophobicContact CD1-CB 3.91Å; F218-F257 HydrophobicContact CD1-CD2 4.08Å; F218-F257 HydrophobicContact CD1-CG 4.26Å; F218-F257 HydrophobicContact CD2-CB 4.1Å; F218-F257 AromaticContact CD2-CD2 3.45Å; F218-F257 HydrophobicContact CD2-CD2 3.45Å; F218-F257 VanDerWaalsContact CD2-CD2 3.45Å; F218-F257 HydrophobicContact CD2-CE2 4.35Å; F218-F257 HydrophobicContact CD2-CG 4.22Å; F218-F257 HydrophobicContact CE1-CB 3.72Å; F218-F257 HydrophobicContact CE2-CB 3.89Å; F218-F257 HydrophobicContact CE2-CD2 4.05Å; F218-F257 HydrophobicContact CE2-CG 4.48Å; F218-F257 HydrophobicContact CG-CB 4.08Å; F218-F257 AromaticContact CG-CD2 3.44Å; F218-F257 HydrophobicContact CG-CD2 3.44Å; F218-F257 VanDerWaalsContact CG-CD2 3.44Å; F218-F257 HydrophobicContact CG-CE2 4.22Å; F218-F257 HydrophobicContact CG-CG 4.07Å; F218-F257 HydrophobicContact CZ-CB 3.7Å; F257-P259 HydrophobicContact CE1-CB 4.05Å; F257-P259 WeakPolarHBondContact O-CD 3.48Å; F257-W668 WeakPolarHBondContact O-CH2 3.31Å; F257-Y669 WeakPolarHBondContact O-CD2 3.14Å
258	L	94.1	Very high	93	Very high	70 Å²	70	65.7 Å²	65.7	37%	0.366	36%	0.36	S	S	.	.			trans	-80.7	115.4	167.6	-179.9	65.6	0	0	0	108.4	P256 W664 P665 Y669	P256-L258 PolarHBondContact O-N 3.06Å; L258-W664 HydrophobicContact CD1-CZ2 4.11Å; L258-W664 HydrophobicContact CD2-CZ2 3.99Å; L258-W664 HydrophobicContact CG-CZ2 4.2Å; L258-P665 HydrophobicContact CD1-CB 3.85Å; L258-P665 HydrophobicContact CD1-CG 4.04Å; L258-Y669 HydrophobicContact CB-CD2 4.16Å; L258-Y669 HydrophobicContact CB-CE2 3.57Å; L258-Y669 HydrophobicContact CD1-CD1 3.73Å; L258-Y669 HydrophobicContact CD1-CD2 4.12Å; L258-Y669 HydrophobicContact CD1-CE1 3.53Å; L258-Y669 HydrophobicContact CD1-CE2 3.94Å; L258-Y669 HydrophobicContact CD1-CG 4.02Å; L258-Y669 HydrophobicContact CG-CE2 4.33Å
259	P	92.4	Very high	93.1	Very high	4 Å²	4	67.7 Å²	67.7	3%	0.026	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-64.1	148.6	176.9	27	-34	0	0	0	111	Y170 F257 W664 P666 W668	Y170-P259 HydrophobicContact CD1-CB 3.84Å; Y170-P259 HydrophobicContact CD2-CB 4.12Å; Y170-P259 HydrophobicContact CE1-CB 4.34Å; Y170-P259 HydrophobicContact CG-CB 3.72Å; F257-P259 HydrophobicContact CE1-CB 4.05Å; F257-P259 WeakPolarHBondContact O-CD 3.48Å; P259-W664 PolarHBondContact O-NE1 3.14Å; P259-P666 HydrophobicContact CG-CG 3.8Å; P259-W668 HydrophobicContact CG-CH2 4.23Å; P259-W668 HydrophobicContact CG-CZ2 3.91Å
260	P	91.5	Very high	93	Very high	84 Å²	84	65.8 Å²	65.8	55%	0.545	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-56.7	143.4	177.3	25.7	-34.1	0	0	0	110.1	Y170	Y170-P260 HydrophobicContact CE2-CG 4.06Å
261	K	91.3	Very high	92.8	Very high	100 Å²	100	63.1 Å²	63.1	44%	0.435	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-61	131.2	174.3	-165.7	176.2	-173.5	180	0	107.9	T635 N636 W664	K261-T635 HydrophobicContact CG-CG2 4.35Å; K261-N636 PolarHBondContact NZ-OD1 3.09Å; K261-W664 HydrophobicContact CB-CD2 4.4Å; K261-W664 HydrophobicContact CB-CZ2 4.16Å; K261-W664 HydrophobicContact CD-CE3 4.4Å; K261-W664 HydrophobicContact CD-CZ3 4.36Å; K261-W664 HydrophobicContact CG-CD2 4.11Å; K261-W664 HydrophobicContact CG-CE3 4.28Å; K261-W664 HydrophobicContact CG-CG 4.5Å
262	P	91	Very high	92.1	Very high	56 Å²	56	65.6 Å²	65.6	36%	0.364	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-61.9	145.7	178.5	25.8	-33	0	0	0	109.7	H631 T635	P262-H631 PolarHBondContact O-CE1 3.35Å; P262-H631 VanDerWaalsContact O-CE1 3.22Å; P262-T635 HydrophobicContact CG-CG2 3.55Å
263	P	91.6	Very high	91.1	Very high	109 Å²	109	65.7 Å²	65.7	71%	0.708	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-71.7	151	176.3	30.3	-34.4	0	0	0	111	H631	P263-H631 PolarHBondContact O-CE1 3.34Å; P263-H631 PolarHBondContact O-ND1 2.97Å
264	P	91.5	Very high	89.6	Confident	80 Å²	80	67.6 Å²	67.6	52%	0.519	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-65.6	147.8	175.7	28.3	-34.1	0	0	0	111.4	H631	P264-H631 WeakPolarHBondContact CA-NE2 3.38Å
265	P	94.3	Very high	87.6	Confident	52 Å²	52	67.7 Å²	67.7	34%	0.338	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-64.6	143	174.4	27.7	-33	0	0	0	110.2	W628 H631	P265-W628 HydrophobicContact CG-CB 3.97Å; P265-W628 HydrophobicContact CG-CG 4.43Å; P265-H631 HydrophobicContact CG-CB 4.19Å
266	I	93.6	Very high	85.5	Confident	147 Å²	147	68.6 Å²	68.6	75%	0.754	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-89.6	125.3	178.7	-59.5	173.2	0	0	0	108.1	T268	I266-T268 HydrophobicContact CG2-CG2 4.44Å
267	I	94.6	Very high	83.3	Confident	20 Å²	20	74.8 Å²	74.8	10%	0.103	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-78.7	123.9	171.9	-48.5	-59.7	0	0	0	108.3	E589 L590 V593 Q624 W628	I267-E589 HydrophobicContact CG2-CB 4.32Å; I267-L590 HydrophobicContact CB-CB 4.41Å; I267-L590 HydrophobicContact CB-CD1 4Å; I267-L590 HydrophobicContact CG2-CB 3.84Å; I267-L590 HydrophobicContact CG2-CD1 4.35Å; I267-V593 HydrophobicContact CD1-CG2 3.99Å; I267-V593 HydrophobicContact CG1-CB 4.18Å; I267-V593 HydrophobicContact CG1-CG1 4.21Å; I267-V593 HydrophobicContact CG1-CG2 3.98Å; I267-Q624 HydrophobicContact CD1-CB 3.62Å; I267-Q624 HydrophobicContact CG2-CB 4.25Å; I267-W628 HydrophobicContact CD1-CB 4.44Å
268	T	95.1	Very high	81.2	Confident	92 Å²	92	80.5 Å²	80.5	56%	0.564	47%	0.469	S	S	*	.			trans	-107.5	130.1	177.8	58.6	0	0	0	0	109.9	I266 Q624	I266-T268 HydrophobicContact CG2-CG2 4.44Å; T268-Q624 PolarHBondContact O-NE2 3.01Å; T268-Q624 PolarHBondContact O-OE1 3.27Å; T268-Q624 PolarHBondContact OG1-OE1 3.23Å
269	V	92.6	Very high	79.8	Confident	51 Å²	51	79.8 Å²	79.8	31%	0.309	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-98.7	118.3	172.7	-177.5	0	0	0	0	106.7	H583 L587 L590	V269-H583 WeakPolarHBondContact CG1-NE2 3.48Å; V269-L587 HydrophobicContact CG1-CD2 3.72Å; V269-L587 HydrophobicContact CG1-CG 3.85Å; V269-L587 HydrophobicContact CG2-CD2 4.12Å; V269-L590 HydrophobicContact CG2-CB 4.25Å; V269-L590 HydrophobicContact CG2-CD2 3.72Å
270	P	89	Confident	79.1	Confident	62 Å²	62	80.3 Å²	80.3	40%	0.403	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-61.9	160.2	175.1	26.4	-31.3	0	0	0	109.8	H583 A586	P270-H583 PolarHBondContact O-CD2 3.43Å; P270-H583 PolarHBondContact O-NE2 3.38Å; P270-A586 HydrophobicContact CG-CB 4.46Å
271	P	85.3	Confident	78.6	Confident	111 Å²	111	77.8 Å²	77.8	72%	0.721	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-57.1	150.5	170	26.3	-33.8	0	0	0	110.2
272	P	80.1	Confident	78.2	Confident	79 Å²	79	75.3 Å²	75.3	51%	0.513	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-57.2	147.2	174.6	25.7	-33.6	0	0	0	109.6	S274	P272-S274 PolarHBondContact O-N 3.37Å
273	P	74	Confident	78	Confident	60 Å²	60	73.1 Å²	73.1	39%	0.39	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-57.8	137.8	179	24.8	-33	0	0	0	110.1	T275 T276	P273-T275 PolarHBondContact O-N 3.05Å; P273-T276 PolarHBondContact O-OG1 3.47Å
274	S	61.1	Low	77.7	Confident	101 Å²	101	69.1 Å²	69.1	71%	0.706	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-8.4	-178.9	53.9	0	0	0	0	113.9	P272 T276	P272-S274 PolarHBondContact O-N 3.37Å; S274-T276 VanDerWaalsContact C-N 3.29Å; S274-T276 PolarHBondContact O-N 2.84Å
275	T	52.2	Low	77.4	Confident	40 Å²	40	70.2 Å²	70.2	25%	0.245	40%	0.404	C	S	.	.	H	α-helix	trans	-66.9	-23.6	-176.4	49.7	0	0	0	0	113.9	P273 E277 H279	P273-T275 PolarHBondContact O-N 3.05Å; T275-E277 VanDerWaalsContact C-N 3.3Å; T275-E277 PolarHBondContact O-N 2.86Å; T275-H279 PolarHBondContact O-N 3.25Å; T275-H279 PolarHBondContact O-ND1 3.26Å
276	T	51.3	Low	76.9	Confident	66 Å²	66	72.5 Å²	72.5	41%	0.405	41%	0.414	S	S	.	.	H	α-helix	trans	-67.3	-22.8	-176.5	32.2	0	0	0	0	115.1	P273 S274	P273-T276 PolarHBondContact O-OG1 3.47Å; S274-T276 VanDerWaalsContact C-N 3.29Å; S274-T276 PolarHBondContact O-N 2.84Å
277	E	49.3	Very low	76.5	Confident	157 Å²	157	66.4 Å²	66.4	73%	0.734	38%	0.384	S	S	*	.	H	α-helix	trans	-91.2	-32.6	-178.6	-66.6	-170.4	168.7	0	0	113.1	T275	T275-E277 VanDerWaalsContact C-N 3.3Å; T275-E277 PolarHBondContact O-N 2.86Å
278	E	50.6	Low	76.2	Confident	149 Å²	149	68.1 Å²	68.1	70%	0.696	39%	0.391	S	S	*	.	H	α-helix	trans	-87.3	-25.8	-175.3	-67.8	-177.2	163.6	0	0	113.8
279	H	64.4	Low	75.8	Confident	56 Å²	56	64.1 Å²	64.1	26%	0.259	37%	0.367	S	S	.	.	H	α-helix	trans	-77.2	-35.2	-170.3	-75.4	48.8	0	0	0	115.7	T275 A281 S282 L283 S518	T275-H279 PolarHBondContact O-N 3.25Å; T275-H279 PolarHBondContact O-ND1 3.26Å; H279-A281 VanDerWaalsContact C-N 3.34Å; H279-A281 PolarHBondContact O-N 3.29Å; H279-S282 PolarHBondContact O-N 3.17Å; H279-S282 VanDerWaalsContact O-N 3.14Å; H279-S282 PolarHBondContact O-OG 3.04Å; H279-L283 PolarHBondContact O-N 3.3Å; H279-S518 VanDerWaalsContact CB-O 3.29Å; H279-S518 WeakPolarHBondContact CB-O 3.46Å
280	P	76.6	Confident	75.7	Confident	15 Å²	15	61.7 Å²	61.7	10%	0.097	35%	0.352	C	S	.	.	H	α-helix	trans	-58.9	-42.6	-180	-28.1	36.8	0	0	0	113.4	S282 L283 Y308 Y432	P280-S282 VanDerWaalsContact C-N 3.34Å; P280-L283 PolarHBondContact O-N 2.97Å; P280-Y308 HydrophobicContact CB-CE1 3.9Å; P280-Y432 WeakPolarHBondContact O-CD1 3.19Å
281	A	80.5	Confident	75.9	Confident	31 Å²	31	59.6 Å²	59.6	26%	0.256	34%	0.338	S	S	.	.	H	α-helix	trans	-68.1	-35.1	178	0	0	0	0	0	112.2	H279 L283 L284 T433	H279-A281 VanDerWaalsContact C-N 3.34Å; H279-A281 PolarHBondContact O-N 3.29Å; A281-L283 PolarHBondContact O-N 3.22Å; A281-L284 WeakPolarHBondContact O-CB 3.41Å; A281-L284 PolarHBondContact O-N 2.78Å; A281-T433 HydrophobicContact CB-CG2 3.76Å
282	S	83.4	Confident	76.3	Confident	48 Å²	48	54.3 Å²	54.3	34%	0.336	30%	0.303	S	S	.	.	H	α-helix	trans	-60.6	-31.5	178.6	75.5	0	0	0	0	112.7	H279 P280 L284 E285 D286	H279-S282 PolarHBondContact O-N 3.17Å; H279-S282 VanDerWaalsContact O-N 3.14Å; H279-S282 PolarHBondContact O-OG 3.04Å; P280-S282 VanDerWaalsContact C-N 3.34Å; S282-L284 PolarHBondContact O-N 3.08Å; S282-L284 VanDerWaalsContact O-N 3.15Å; S282-E285 PolarHBondContact O-N 3.05Å; S282-D286 PolarHBondContact O-N 3.41Å
283	L	86.7	Confident	77	Confident	10 Å²	10	50.6 Å²	50.6	5%	0.052	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-17.5	175.9	-69.8	178.9	0	0	0	114	H279 P280 A281 P287 H305 Y308 Y432 I517	H279-L283 PolarHBondContact O-N 3.3Å; P280-L283 PolarHBondContact O-N 2.97Å; A281-L283 PolarHBondContact O-N 3.22Å; L283-P287 WeakPolarHBondContact O-CA 3.32Å; L283-H305 PolarHBondContact O-CE1 2.96Å; L283-Y308 HydrophobicContact CD1-CE2 3.82Å; L283-Y432 HydrophobicContact CB-CE1 4.29Å; L283-I517 HydrophobicContact CD2-CD1 3.68Å; L283-I517 HydrophobicContact CD2-CG1 4.02Å
284	L	85.4	Confident	78	Confident	25 Å²	25	47.8 Å²	47.8	13%	0.131	26%	0.261	C	S	.	.	H	α-helix	trans	-80.1	-28.6	173.1	-73.5	170.7	0	0	0	112.6	A281 S282 L428 R429 Y432	A281-L284 WeakPolarHBondContact O-CB 3.41Å; A281-L284 PolarHBondContact O-N 2.78Å; S282-L284 PolarHBondContact O-N 3.08Å; S282-L284 VanDerWaalsContact O-N 3.15Å; L284-L428 HydrophobicContact CD1-CB 4.12Å; L284-L428 HydrophobicContact CD2-CB 4.34Å; L284-R429 HydrophobicContact CD1-CB 4.49Å; L284-R429 HydrophobicContact CD1-CG 3.91Å; L284-Y432 HydrophobicContact CD1-CD2 3.92Å; L284-Y432 HydrophobicContact CD1-CE2 4.24Å; L284-Y432 HydrophobicContact CD1-CG 4.07Å; L284-Y432 HydrophobicContact CD2-CD2 4.07Å; L284-Y432 HydrophobicContact CD2-CE1 4.27Å; L284-Y432 HydrophobicContact CD2-CE2 3.53Å; L284-Y432 HydrophobicContact CG-CD1 4.28Å; L284-Y432 HydrophobicContact CG-CD2 4.09Å; L284-Y432 HydrophobicContact CG-CE1 4.18Å; L284-Y432 HydrophobicContact CG-CE2 3.99Å; L284-Y432 HydrophobicContact CG-CG 4.19Å
285	E	84.7	Confident	79.6	Confident	102 Å²	102	43.4 Å²	43.4	48%	0.477	23%	0.23	S	C	.	.	H	α-helix	trans	-89.2	-38.7	178.7	-54.7	-65.5	165.5	0	0	110.4	S282 P287 R429	S282-E285 PolarHBondContact O-N 3.05Å; E285-P287 WeakPolarHBondContact O-CD 3.38Å; E285-R429 IonicContact OE1-CZ 3.62Å; E285-R429 IonicContact OE1-NE 2.74Å; E285-R429 IonicContact OE1-NH2 2.61Å; E285-R429 PolarHBondContact OE1-NH2 3.45Å
286	D	85.3	Confident	81.6	Confident	101 Å²	101	41.5 Å²	41.5	54%	0.54	22%	0.218	S	C	.	.	S	Bend	trans	-114.3	86.3	175.4	-70	-38.1	0	0	0	110.6	S282 H288	S282-D286 PolarHBondContact O-N 3.41Å; D286-H288 PolarHBondContact O-N 3.14Å; D286-H288 PolarHBondContact O-ND1 3.41Å
287	P	85.4	Confident	83.2	Confident	18 Å²	18	42.2 Å²	42.2	12%	0.117	22%	0.217	C	C	.	.			trans	-78.1	53.1	-165.7	33.9	-38.9	0	0	0	114.3	L283 E285 C289 A290 F303 P402	L283-P287 WeakPolarHBondContact O-CA 3.32Å; E285-P287 WeakPolarHBondContact O-CD 3.38Å; P287-C289 PolarHBondContact O-N 3.34Å; P287-A290 HydrophobicContact CB-CB 3.96Å; P287-A290 WeakPolarHBondContact O-CB 3.36Å; P287-A290 PolarHBondContact O-N 3.43Å; P287-F303 HydrophobicContact CB-CB 3.44Å; P287-F303 VanDerWaalsContact CB-CB 3.44Å; P287-F303 HydrophobicContact CB-CG 4.33Å; P287-F303 HydrophobicContact CG-CB 3.86Å; P287-F303 HydrophobicContact CG-CD2 4.47Å; P287-F303 HydrophobicContact CG-CG 4.29Å; P287-P402 HydrophobicContact CB-CG 4.25Å; P287-P402 HydrophobicContact CG-CB 3.96Å; P287-P402 HydrophobicContact CG-CG 3.69Å
288	H	87.1	Confident	84.5	Confident	56 Å²	56	42.4 Å²	42.4	26%	0.259	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	128.5	173.7	-66.9	86.1	0	0	0	110.4	D286 A290 H305 I517	D286-H288 PolarHBondContact O-N 3.14Å; D286-H288 PolarHBondContact O-ND1 3.41Å; H288-A290 VanDerWaalsContact C-N 3.26Å; H288-A290 PolarHBondContact O-N 2.75Å; H288-H305 PolarHBondContact O-NE2 3.41Å; H288-I517 HydrophobicContact CB-CD1 3.76Å; H288-I517 WeakPolarHBondContact O-CD1 3.32Å
289	C	87.4	Confident	86	Confident	9 Å²	9	46 Å²	46	6%	0.061	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	21.4	-177.2	-55.6	0	0	0	0	115.2	P287 D291 H305 K513 P514 I517	P287-C289 PolarHBondContact O-N 3.34Å; C289-D291 PolarHBondContact O-N 3.38Å; C289-H305 PolarHBondContact O-CD2 2.95Å; C289-K513 HydrophobicContact CB-CB 4.01Å; C289-P514 HydrophobicContact CB-CG 4.28Å; C289-I517 HydrophobicContact CB-CD1 4.32Å
290	A	90.9	Very high	87.3	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.227	C	C	.	.			trans	-57	137.2	173.1	0	0	0	0	0	111.9	P287 H288 F303 A304 H305 M410	P287-A290 HydrophobicContact CB-CB 3.96Å; P287-A290 WeakPolarHBondContact O-CB 3.36Å; P287-A290 PolarHBondContact O-N 3.43Å; H288-A290 VanDerWaalsContact C-N 3.26Å; H288-A290 PolarHBondContact O-N 2.75Å; A290-F303 HydrophobicContact CB-CB 3.89Å; A290-F303 HydrophobicContact CB-CD1 4.37Å; A290-A304 WeakPolarHBondContact CA-O 3.41Å; A290-H305 PolarHBondContact N-NE2 3.03Å; A290-M410 VanDerWaalsContact O-CE 3.29Å; A290-M410 WeakPolarHBondContact O-CE 3.39Å
291	D	91.6	Very high	88	Confident	18 Å²	18	51.4 Å²	51.4	10%	0.096	25%	0.247	C	C	.	.			trans	-128.2	-0.7	-176.3	65.3	-13.7	0	0	0	112.6	C289 A304 H305 K306 T411	C289-D291 PolarHBondContact O-N 3.38Å; D291-A304 PolarHBondContact N-O 3.45Å; D291-H305 WeakPolarHBondContact OD1-CA 3.47Å; D291-K306 WeakPolarHBondContact O-CE 3.35Å; D291-K306 WeakPolarHBondContact OD1-CG 3.3Å; D291-K306 PolarHBondContact OD1-N 2.85Å; D291-K306 WeakPolarHBondContact OD2-CB 3.48Å; D291-K306 WeakPolarHBondContact OD2-CD 3.47Å; D291-K306 WeakPolarHBondContact OD2-CG 3.29Å; D291-T411 PolarHBondContact O-N 2.89Å; D291-T411 VanDerWaalsContact O-N 3.16Å
292	V	94.7	Very high	88.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	141.9	173.7	59	0	0	0	0	112	L294 A304 K306 L309 F320 T411 V413	V292-L294 HydrophobicContact CG2-CD2 4.02Å; V292-A304 HydrophobicContact CG1-CB 3.92Å; V292-A304 VanDerWaalsContact CG1-O 3.25Å; V292-A304 WeakPolarHBondContact CG1-O 3.37Å; V292-A304 PolarHBondContact N-O 3.35Å; V292-A304 PolarHBondContact O-N 3.46Å; V292-K306 HydrophobicContact CB-CG 3.98Å; V292-K306 HydrophobicContact CG1-CG 4.06Å; V292-L309 HydrophobicContact CG1-CD1 4.15Å; V292-F320 HydrophobicContact CG1-CZ 4.43Å; V292-F320 HydrophobicContact CG2-CE1 3.92Å; V292-F320 HydrophobicContact CG2-CZ 3.98Å; V292-T411 CarbonylContact C-O 3.59Å; V292-T411 VanDerWaalsContact CA-O 3.23Å; V292-T411 WeakPolarHBondContact CA-O 3.45Å; V292-T411 HydrophobicContact CG2-CG2 4.38Å; V292-T411 WeakPolarHBondContact CG2-O 3.44Å; V292-V413 HydrophobicContact CG2-CG2 4Å
293	I	94.9	Very high	89.1	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.9	174.2	-52.5	178.6	0	0	0	108.2	V295 K301 I302 F303 V399 M410 T411 V412 V413	I293-V295 HydrophobicContact CG2-CG2 4.19Å; I293-K301 HydrophobicContact CG2-CB 3.95Å; I293-K301 HydrophobicContact CG2-CD 4.24Å; I293-K301 HydrophobicContact CG2-CG 4.15Å; I293-I302 WeakPolarHBondContact CA-O 3.49Å; I293-F303 HydrophobicContact CD1-CD1 4.25Å; I293-F303 HydrophobicContact CD1-CE1 3.7Å; I293-F303 HydrophobicContact CD1-CZ 4.41Å; I293-F303 HydrophobicContact CG1-CD1 3.86Å; I293-F303 HydrophobicContact CG1-CE1 3.83Å; I293-V399 HydrophobicContact CD1-CB 3.97Å; I293-V399 HydrophobicContact CD1-CG1 3.66Å; I293-V399 HydrophobicContact CD1-CG2 3.88Å; I293-M410 HydrophobicContact CD1-CB 4.21Å; I293-M410 HydrophobicContact CD1-SD 3.87Å; I293-M410 HydrophobicContact CG1-CB 4.24Å; I293-M410 HydrophobicContact CG1-SD 3.89Å; I293-T411 PolarHBondContact N-O 2.89Å; I293-V412 HydrophobicContact CB-CG2 4.35Å; I293-V412 HydrophobicContact CD1-CG2 4.36Å; I293-V412 WeakPolarHBondContact O-CA 3.49Å; I293-V413 PolarHBondContact O-N 3.43Å
294	L	95.3	Very high	89.5	Confident	0 Å²	0	50 Å²	50	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.5	174.8	-52.9	173.2	0	0	0	108	V292 L296 I302 A304 L309 F316 V413 M415 F424 L428	V292-L294 HydrophobicContact CG2-CD2 4.02Å; L294-L296 HydrophobicContact CB-CD1 4.38Å; L294-I302 HydrophobicContact CB-CB 4.37Å; L294-I302 PolarHBondContact N-O 3.04Å; L294-I302 PolarHBondContact O-N 3.3Å; L294-A304 HydrophobicContact CD1-CB 4.31Å; L294-L309 HydrophobicContact CD1-CD1 4.27Å; L294-F316 HydrophobicContact CD2-CE1 4.37Å; L294-V413 HydrophobicContact CD2-CB 3.89Å; L294-V413 HydrophobicContact CD2-CG1 4.47Å; L294-V413 HydrophobicContact CD2-CG2 4.25Å; L294-M415 HydrophobicContact CB-CG 4.37Å; L294-M415 HydrophobicContact CB-SD 4.47Å; L294-M415 HydrophobicContact CD2-SD 4.14Å; L294-F424 HydrophobicContact CB-CE1 4.25Å; L294-F424 HydrophobicContact CD1-CE1 3.74Å; L294-F424 HydrophobicContact CD1-CZ 3.76Å; L294-L428 HydrophobicContact CD1-CD1 4.13Å; L294-L428 HydrophobicContact CD1-CD2 3.87Å
295	V	94.1	Very high	89.9	Confident	9 Å²	9	48.8 Å²	48.8	6%	0.055	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.5	-178.4	-175.7	0	0	0	0	109.3	I293 Q300 K301 V412 V413 M415	I293-V295 HydrophobicContact CG2-CG2 4.19Å; V295-Q300 CarbonylContact C-O 3.54Å; V295-Q300 WeakPolarHBondContact CA-O 3.38Å; V295-K301 HydrophobicContact CG2-CG 4.45Å; V295-V412 HydrophobicContact CG2-CG1 3.6Å; V295-V413 PolarHBondContact N-O 3.04Å; V295-M415 PolarHBondContact O-N 3.02Å
296	L	93.3	Very high	90.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	141.9	177.9	-66.3	87	0	0	0	110.4	L294 E298 R299 Q300 I302 M415 I419 F424	L294-L296 HydrophobicContact CB-CD1 4.38Å; L296-E298 PolarHBondContact O-N 3.27Å; L296-R299 PolarHBondContact O-N 2.94Å; L296-Q300 HydrophobicContact CB-CB 4.33Å; L296-Q300 PolarHBondContact N-O 2.99Å; L296-Q300 PolarHBondContact O-N 3.39Å; L296-I302 HydrophobicContact CD1-CD1 3.66Å; L296-I302 HydrophobicContact CD1-CG1 3.97Å; L296-M415 HydrophobicContact CD1-CG 4.28Å; L296-M415 HydrophobicContact CG-CB 4.21Å; L296-M415 HydrophobicContact CG-CG 4.12Å; L296-I419 HydrophobicContact CD2-CG2 3.79Å; L296-F424 HydrophobicContact CD1-CD1 3.93Å; L296-F424 HydrophobicContact CD1-CE1 3.98Å; L296-F424 HydrophobicContact CD2-CB 4.16Å; L296-F424 HydrophobicContact CD2-CD1 3.61Å; L296-F424 HydrophobicContact CD2-CE1 4.32Å; L296-F424 HydrophobicContact CD2-CG 4.15Å; L296-F424 HydrophobicContact CG-CD1 4.28Å
297	Q	86.2	Confident	90.8	Very high	81 Å²	81	41.1 Å²	41.1	38%	0.379	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	38.5	173.3	-58.7	179.2	-17.9	0	0	112.9	R299	Q297-R299 PolarHBondContact O-N 3.37Å
298	E	75.9	Confident	91.2	Very high	162 Å²	162	40.4 Å²	40.4	76%	0.757	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	-6.3	178.9	-55.4	-175.4	168.6	0	0	117.6	L296	L296-E298 PolarHBondContact O-N 3.27Å
299	R	82.6	Confident	91.6	Very high	223 Å²	223	37.7 Å²	37.7	84%	0.842	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134	-25.7	-175.2	-66	-170.6	179.5	-163.6	-0.2	115.3	L296 Q297	L296-R299 PolarHBondContact O-N 2.94Å; Q297-R299 PolarHBondContact O-N 3.37Å
300	Q	90.9	Very high	92	Very high	65 Å²	65	37.3 Å²	37.3	30%	0.304	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	124	-172.9	-61.7	173.6	31.4	0	0	109.5	V295 L296	V295-Q300 CarbonylContact C-O 3.54Å; V295-Q300 WeakPolarHBondContact CA-O 3.38Å; L296-Q300 HydrophobicContact CB-CB 4.33Å; L296-Q300 PolarHBondContact N-O 2.99Å; L296-Q300 PolarHBondContact O-N 3.39Å
301	K	91.3	Very high	92.2	Very high	121 Å²	121	37.7 Å²	37.7	53%	0.526	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.3	-178.9	-63.2	-174.7	178.1	-173.8	0	109.9	I293 V295	I293-K301 HydrophobicContact CG2-CB 3.95Å; I293-K301 HydrophobicContact CG2-CD 4.24Å; I293-K301 HydrophobicContact CG2-CG 4.15Å; V295-K301 HydrophobicContact CG2-CG 4.45Å
302	I	93.9	Very high	92.4	Very high	13 Å²	13	37.7 Å²	37.7	7%	0.067	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.9	169.7	-52.7	176.5	0	0	0	107.9	I293 L294 L296 L421 F424 R425 L428	I293-I302 WeakPolarHBondContact CA-O 3.49Å; L294-I302 HydrophobicContact CB-CB 4.37Å; L294-I302 PolarHBondContact N-O 3.04Å; L294-I302 PolarHBondContact O-N 3.3Å; L296-I302 HydrophobicContact CD1-CD1 3.66Å; L296-I302 HydrophobicContact CD1-CG1 3.97Å; I302-L421 HydrophobicContact CD1-CD1 3.62Å; I302-L421 HydrophobicContact CG1-CD1 3.97Å; I302-F424 HydrophobicContact CD1-CD1 3.7Å; I302-F424 HydrophobicContact CD1-CE1 4.04Å; I302-R425 HydrophobicContact CD1-CG 4.35Å; I302-L428 HydrophobicContact CD1-CD1 3.88Å; I302-L428 HydrophobicContact CG2-CD1 3.81Å
303	F	93.5	Very high	92.4	Very high	45 Å²	45	38 Å²	38	20%	0.197	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	135	172.7	-65.6	-90.7	0	0	0	109.4	P287 A290 I293 P402 M410	P287-F303 HydrophobicContact CB-CB 3.44Å; P287-F303 VanDerWaalsContact CB-CB 3.44Å; P287-F303 HydrophobicContact CB-CG 4.33Å; P287-F303 HydrophobicContact CG-CB 3.86Å; P287-F303 HydrophobicContact CG-CD2 4.47Å; P287-F303 HydrophobicContact CG-CG 4.29Å; A290-F303 HydrophobicContact CB-CB 3.89Å; A290-F303 HydrophobicContact CB-CD1 4.37Å; I293-F303 HydrophobicContact CD1-CD1 4.25Å; I293-F303 HydrophobicContact CD1-CE1 3.7Å; I293-F303 HydrophobicContact CD1-CZ 4.41Å; I293-F303 HydrophobicContact CG1-CD1 3.86Å; I293-F303 HydrophobicContact CG1-CE1 3.83Å; F303-P402 HydrophobicContact CD1-CB 4.19Å; F303-P402 HydrophobicContact CD1-CG 3.69Å; F303-P402 HydrophobicContact CD2-CB 4.15Å; F303-P402 HydrophobicContact CD2-CG 4.37Å; F303-P402 HydrophobicContact CE1-CB 4.02Å; F303-P402 HydrophobicContact CE1-CG 3.87Å; F303-P402 HydrophobicContact CE2-CB 3.99Å; F303-P402 HydrophobicContact CG-CB 4.25Å; F303-P402 HydrophobicContact CG-CG 3.96Å; F303-P402 HydrophobicContact CZ-CB 3.92Å; F303-P402 HydrophobicContact CZ-CG 4.28Å; F303-M410 HydrophobicContact CD1-SD 4.25Å; F303-M410 HydrophobicContact CE1-SD 4.2Å
304	A	94.7	Very high	92.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	-179.1	-177.5	0	0	0	0	0	111.1	A290 D291 V292 L294 L309	A290-A304 WeakPolarHBondContact CA-O 3.41Å; D291-A304 PolarHBondContact N-O 3.45Å; V292-A304 HydrophobicContact CG1-CB 3.92Å; V292-A304 VanDerWaalsContact CG1-O 3.25Å; V292-A304 WeakPolarHBondContact CG1-O 3.37Å; V292-A304 PolarHBondContact N-O 3.35Å; V292-A304 PolarHBondContact O-N 3.46Å; L294-A304 HydrophobicContact CD1-CB 4.31Å; A304-L309 HydrophobicContact CB-CD1 4.05Å
305	H	94.1	Very high	92.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.196	C	C	.	.			trans	-121.2	119.9	-173.3	-54.7	91.3	0	0	0	110.3	L283 H288 C289 A290 D291 I307 Y308 L309 Y432 P514	L283-H305 PolarHBondContact O-CE1 2.96Å; H288-H305 PolarHBondContact O-NE2 3.41Å; C289-H305 PolarHBondContact O-CD2 2.95Å; A290-H305 PolarHBondContact N-NE2 3.03Å; D291-H305 WeakPolarHBondContact OD1-CA 3.47Å; H305-I307 HydrophobicContact CB-CG2 4.43Å; H305-I307 PolarHBondContact O-N 3.33Å; H305-Y308 HydrophobicContact CB-CD2 3.96Å; H305-Y308 PolarHBondContact O-N 2.88Å; H305-L309 WeakPolarHBondContact O-CG 3.49Å; H305-L309 PolarHBondContact O-N 3.2Å; H305-L309 VanDerWaalsContact O-N 3.14Å; H305-Y432 PolarHBondContact N-OH 3.38Å; H305-Y432 AromaticContact ND1-CE1 3.67Å; H305-Y432 AromaticContact ND1-CZ 3.7Å; H305-Y432 PolarHBondContact ND1-OH 3.39Å; H305-P514 HydrophobicContact CB-CB 4.08Å; H305-P514 HydrophobicContact CB-CG 4.13Å; H305-P514 VanDerWaalsContact CD2-CG 3.41Å; H305-P514 WeakPolarHBondContact CD2-CG 3.29Å
306	K	94.9	Very high	92.3	Very high	39 Å²	39	41.9 Å²	41.9	17%	0.17	19%	0.194	C	C	.	.	H	α-helix	trans	-53.9	-43.6	179.4	-68.5	176.2	-174.5	174.8	0	111.2	D291 V292 Y308 L309 A310 F320 T411	D291-K306 WeakPolarHBondContact O-CE 3.35Å; D291-K306 WeakPolarHBondContact OD1-CG 3.3Å; D291-K306 PolarHBondContact OD1-N 2.85Å; D291-K306 WeakPolarHBondContact OD2-CB 3.48Å; D291-K306 WeakPolarHBondContact OD2-CD 3.47Å; D291-K306 WeakPolarHBondContact OD2-CG 3.29Å; V292-K306 HydrophobicContact CB-CG 3.98Å; V292-K306 HydrophobicContact CG1-CG 4.06Å; K306-Y308 PolarHBondContact O-N 2.92Å; K306-L309 PolarHBondContact O-N 3.24Å; K306-A310 WeakPolarHBondContact O-CB 3.44Å; K306-A310 PolarHBondContact O-N 3.23Å; K306-F320 HydrophobicContact CB-CD2 3.96Å; K306-F320 HydrophobicContact CB-CE2 4.17Å; K306-F320 HydrophobicContact CB-CG 4.45Å; K306-F320 HydrophobicContact CD-CG 4.42Å; K306-F320 HydrophobicContact CG-CD1 4.3Å; K306-F320 HydrophobicContact CG-CD2 4.02Å; K306-F320 HydrophobicContact CG-CE1 4.38Å; K306-F320 HydrophobicContact CG-CE2 4.11Å; K306-F320 HydrophobicContact CG-CG 4.13Å; K306-F320 HydrophobicContact CG-CZ 4.29Å; K306-T411 VanDerWaalsContact CE-CB 3.45Å; K306-T411 WeakPolarHBondContact CE-OG1 3.32Å; K306-T411 PolarHBondContact NZ-OG1 3.23Å
307	I	94.8	Very high	92.4	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.015	20%	0.2	C	C	.	.	H	α-helix	trans	-61.2	-41.2	-177.8	-170.3	61.4	0	0	0	112.6	H305 T311 C491 F497 H512 P514 L515	H305-I307 HydrophobicContact CB-CG2 4.43Å; H305-I307 PolarHBondContact O-N 3.33Å; I307-T311 HydrophobicContact CD1-CG2 3.84Å; I307-T311 HydrophobicContact CG1-CG2 4.36Å; I307-T311 VanDerWaalsContact O-CB 3.3Å; I307-T311 WeakPolarHBondContact O-CB 3.39Å; I307-T311 WeakPolarHBondContact O-CG2 3.16Å; I307-T311 PolarHBondContact O-N 3.08Å; I307-T311 PolarHBondContact O-OG1 2.79Å; I307-C491 HydrophobicContact CD1-CB 3.88Å; I307-F497 HydrophobicContact CD1-CB 4.41Å; I307-F497 HydrophobicContact CD1-CD2 4.4Å; I307-H512 HydrophobicContact CG1-CB 4.18Å; I307-H512 HydrophobicContact CG2-CB 4.42Å; I307-P514 HydrophobicContact CG2-CB 3.94Å; I307-P514 HydrophobicContact CG2-CG 4.08Å; I307-L515 HydrophobicContact CG1-CD1 3.72Å; I307-L515 HydrophobicContact CG1-CG 4.15Å; I307-L515 HydrophobicContact CG2-CG 4.24Å
308	Y	93.6	Very high	92.8	Very high	3 Å²	3	43.4 Å²	43.4	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-68.8	-45.9	177.3	-86.9	-88.4	0	0	0	111.3	P280 L283 H305 K306 T311 S312 Y432 P514 L515 S518	P280-Y308 HydrophobicContact CB-CE1 3.9Å; L283-Y308 HydrophobicContact CD1-CE2 3.82Å; H305-Y308 HydrophobicContact CB-CD2 3.96Å; H305-Y308 PolarHBondContact O-N 2.88Å; K306-Y308 PolarHBondContact O-N 2.92Å; Y308-T311 PolarHBondContact O-OG1 3.22Å; Y308-S312 WeakPolarHBondContact O-CB 3.31Å; Y308-S312 PolarHBondContact O-N 3.22Å; Y308-S312 PolarHBondContact O-OG 3.37Å; Y308-S312 VanDerWaalsContact O-OG 3.12Å; Y308-Y432 AromaticContact CD1-CD1 3.44Å; Y308-Y432 HydrophobicContact CD1-CD1 3.44Å; Y308-Y432 VanDerWaalsContact CD1-CD1 3.44Å; Y308-Y432 AromaticContact CD1-CE1 3.89Å; Y308-Y432 HydrophobicContact CD1-CE1 3.89Å; Y308-Y432 AromaticContact CD1-CG 3.86Å; Y308-Y432 HydrophobicContact CD1-CG 3.86Å; Y308-Y432 HydrophobicContact CD2-CD1 4.08Å; Y308-Y432 AromaticContact CD2-CE1 3.7Å; Y308-Y432 HydrophobicContact CD2-CE1 3.7Å; Y308-Y432 AromaticContact CE1-CD1 3.81Å; Y308-Y432 HydrophobicContact CE1-CD1 3.81Å; Y308-Y432 HydrophobicContact CE1-CE1 4.4Å; Y308-Y432 HydrophobicContact CE1-CG 4.46Å; Y308-Y432 HydrophobicContact CE2-CD1 4.42Å; Y308-Y432 HydrophobicContact CE2-CE1 4.26Å; Y308-Y432 AromaticContact CG-CD1 3.59Å; Y308-Y432 HydrophobicContact CG-CD1 3.59Å; Y308-Y432 AromaticContact CG-CE1 3.5Å; Y308-Y432 HydrophobicContact CG-CE1 3.5Å; Y308-Y432 VanDerWaalsContact CG-CE1 3.5Å; Y308-Y432 HydrophobicContact CG-CE2 4.47Å; Y308-Y432 HydrophobicContact CG-CG 4.18Å; Y308-P514 HydrophobicContact CD2-CB 4.16Å; Y308-P514 HydrophobicContact CE2-CB 3.97Å; Y308-L515 HydrophobicContact CD2-CD2 4.31Å; Y308-L515 HydrophobicContact CE1-CD2 4.24Å; Y308-L515 HydrophobicContact CE2-CD2 3.75Å; Y308-S518 VanDerWaalsContact OH-CB 3.28Å; Y308-S518 WeakPolarHBondContact OH-CB 3.45Å; Y308-S518 PolarHBondContact OH-OG 2.97Å; Y308-S518 VanDerWaalsContact OH-OG 3.07Å
309	L	95.6	Very high	93.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.7	-44.7	180	-63.6	-178.7	0	0	0	112.1	V292 L294 A304 H305 K306 S312 S313 F316 F320 L428 L431 Y432	V292-L309 HydrophobicContact CG1-CD1 4.15Å; L294-L309 HydrophobicContact CD1-CD1 4.27Å; A304-L309 HydrophobicContact CB-CD1 4.05Å; H305-L309 WeakPolarHBondContact O-CG 3.49Å; H305-L309 PolarHBondContact O-N 3.2Å; H305-L309 VanDerWaalsContact O-N 3.14Å; K306-L309 PolarHBondContact O-N 3.24Å; L309-S312 PolarHBondContact O-N 3.35Å; L309-S313 WeakPolarHBondContact O-CB 3.23Å; L309-S313 PolarHBondContact O-N 3.11Å; L309-F316 HydrophobicContact CB-CB 3.99Å; L309-F316 HydrophobicContact CB-CD1 4.28Å; L309-F316 HydrophobicContact CB-CD2 4.18Å; L309-F316 HydrophobicContact CB-CG 3.91Å; L309-F316 HydrophobicContact CD1-CD1 4.23Å; L309-F316 HydrophobicContact CD1-CE1 4.15Å; L309-F316 HydrophobicContact CD1-CZ 4.44Å; L309-F316 HydrophobicContact CD2-CE2 4.49Å; L309-F320 HydrophobicContact CB-CE2 3.94Å; L309-F320 HydrophobicContact CD1-CE2 4.22Å; L309-F320 HydrophobicContact CD1-CZ 4.13Å; L309-L428 HydrophobicContact CD2-CD2 3.65Å; L309-L431 HydrophobicContact CD2-CB 4.34Å; L309-L431 HydrophobicContact CD2-CD1 3.78Å; L309-Y432 HydrophobicContact CD2-CE2 4.07Å
310	A	95.6	Very high	94.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-70.9	-31.5	-178.8	0	0	0	0	0	113.2	K306 S312 Y317 F320 F497	K306-A310 WeakPolarHBondContact O-CB 3.44Å; K306-A310 PolarHBondContact O-N 3.23Å; A310-S312 VanDerWaalsContact C-N 3.33Å; A310-Y317 HydrophobicContact CB-CD2 4.01Å; A310-Y317 HydrophobicContact CB-CG 4.49Å; A310-Y317 WeakPolarHBondContact O-CB 3.11Å; A310-F320 HydrophobicContact CB-CD2 4.28Å; A310-F497 HydrophobicContact CB-CD2 4.01Å; A310-F497 HydrophobicContact CB-CE2 3.5Å; A310-F497 VanDerWaalsContact CB-CE2 3.5Å; A310-F497 HydrophobicContact CB-CZ 4.07Å
311	T	94.6	Very high	94.2	Very high	8 Å²	8	25.8 Å²	25.8	5%	0.049	14%	0.135	C	C	.	.	H	α-helix	trans	-78.7	-21.4	177.4	56.3	0	0	0	0	112.8	I307 Y308 R487 V488	I307-T311 HydrophobicContact CD1-CG2 3.84Å; I307-T311 HydrophobicContact CG1-CG2 4.36Å; I307-T311 VanDerWaalsContact O-CB 3.3Å; I307-T311 WeakPolarHBondContact O-CB 3.39Å; I307-T311 WeakPolarHBondContact O-CG2 3.16Å; I307-T311 PolarHBondContact O-N 3.08Å; I307-T311 PolarHBondContact O-OG1 2.79Å; Y308-T311 PolarHBondContact O-OG1 3.22Å; T311-R487 HydrophobicContact CG2-CB 4.39Å; T311-R487 HydrophobicContact CG2-CG 4.09Å; T311-V488 HydrophobicContact CG2-CG2 3.66Å
312	S	94.9	Very high	93.9	Very high	18 Å²	18	22.1 Å²	22.1	13%	0.126	12%	0.121	C	C	.	.	H	α-helix	trans	-101.7	-16.6	-179.4	-61.6	0	0	0	0	114.3	Y308 L309 A310 L431 F480 R484	Y308-S312 WeakPolarHBondContact O-CB 3.31Å; Y308-S312 PolarHBondContact O-N 3.22Å; Y308-S312 PolarHBondContact O-OG 3.37Å; Y308-S312 VanDerWaalsContact O-OG 3.12Å; L309-S312 PolarHBondContact O-N 3.35Å; A310-S312 VanDerWaalsContact C-N 3.33Å; S312-L431 VanDerWaalsContact CB-O 3.23Å; S312-L431 WeakPolarHBondContact CB-O 3.42Å; S312-L431 PolarHBondContact OG-O 2.75Å; S312-F480 WeakPolarHBondContact OG-CZ 3.35Å; S312-R484 WeakPolarHBondContact OG-CD 3.49Å
313	S	95.4	Very high	92.4	Very high	8 Å²	8	27.1 Å²	27.1	6%	0.056	15%	0.148	C	C	.	.			trans	-140.6	123.7	178.7	168.9	0	0	0	0	111.3	L309 K315 F316 Y317	L309-S313 WeakPolarHBondContact O-CB 3.23Å; L309-S313 PolarHBondContact O-N 3.11Å; S313-K315 PolarHBondContact O-N 3.25Å; S313-K315 PolarHBondContact OG-N 3.21Å; S313-F316 PolarHBondContact O-N 3.39Å; S313-F316 PolarHBondContact OG-N 3.3Å; S313-Y317 PolarHBondContact O-N 3.26Å
314	S	93.8	Very high	90.5	Very high	67 Å²	67	27.7 Å²	27.7	47%	0.469	16%	0.155	S	C	.	.	H	α-helix	trans	-61	-34.9	172.7	-63.1	0	0	0	0	111.8	F316 Y317 D318 R487	S314-F316 PolarHBondContact O-N 3.45Å; S314-Y317 WeakPolarHBondContact O-CB 3.02Å; S314-Y317 PolarHBondContact O-N 2.97Å; S314-D318 VanDerWaalsContact O-CG 3.22Å; S314-D318 PolarHBondContact O-N 2.96Å; S314-R487 PolarHBondContact OG-NH2 2.79Å
315	K	94	Very high	88	Confident	23 Å²	23	34.5 Å²	34.5	10%	0.1	19%	0.187	C	C	.	.	H	α-helix	trans	-64	-43.9	178.5	-160.1	75	173.4	-167.7	0	111.7	S313 L319 W387 F391 L453 E454	S313-K315 PolarHBondContact O-N 3.25Å; S313-K315 PolarHBondContact OG-N 3.21Å; K315-L319 VanDerWaalsContact O-CB 3.28Å; K315-L319 WeakPolarHBondContact O-CB 3.46Å; K315-L319 PolarHBondContact O-N 3.04Å; K315-W387 HydrophobicContact CD-CH2 3.77Å; K315-W387 HydrophobicContact CD-CZ2 4.11Å; K315-W387 HydrophobicContact CD-CZ3 4.38Å; K315-W387 HydrophobicContact CG-CH2 3.94Å; K315-W387 HydrophobicContact CG-CZ3 4.39Å; K315-F391 HydrophobicContact CG-CE2 3.86Å; K315-L453 WeakPolarHBondContact CB-O 3.47Å; K315-E454 WeakPolarHBondContact CE-OE1 3.42Å; K315-E454 IonicContact NZ-OE1 3.37Å; K315-E454 PolarHBondContact NZ-OE1 3.14Å
316	F	95.6	Very high	85.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.7	-37.4	173.4	-82.6	-66.9	0	0	0	112.2	L294 L309 S313 S314 L319 F320 F391 L431 L453	L294-F316 HydrophobicContact CD2-CE1 4.37Å; L309-F316 HydrophobicContact CB-CB 3.99Å; L309-F316 HydrophobicContact CB-CD1 4.28Å; L309-F316 HydrophobicContact CB-CD2 4.18Å; L309-F316 HydrophobicContact CB-CG 3.91Å; L309-F316 HydrophobicContact CD1-CD1 4.23Å; L309-F316 HydrophobicContact CD1-CE1 4.15Å; L309-F316 HydrophobicContact CD1-CZ 4.44Å; L309-F316 HydrophobicContact CD2-CE2 4.49Å; S313-F316 PolarHBondContact O-N 3.39Å; S313-F316 PolarHBondContact OG-N 3.3Å; S314-F316 PolarHBondContact O-N 3.45Å; F316-L319 HydrophobicContact CD1-CD2 4.08Å; F316-L319 HydrophobicContact CE1-CD2 4.39Å; F316-L319 PolarHBondContact O-N 3.3Å; F316-F320 HydrophobicContact CB-CD2 4.38Å; F316-F320 HydrophobicContact CB-CE2 3.95Å; F316-F320 AromaticContact CD1-CE2 3.79Å; F316-F320 HydrophobicContact CD1-CE2 3.79Å; F316-F320 AromaticContact CD1-CZ 3.65Å; F316-F320 HydrophobicContact CD1-CZ 3.65Å; F316-F320 HydrophobicContact CE1-CZ 4.29Å; F316-F320 HydrophobicContact CG-CE2 4.27Å; F316-F320 WeakPolarHBondContact O-CD2 3.21Å; F316-F320 WeakPolarHBondContact O-CG 3.4Å; F316-F320 PolarHBondContact O-N 3.49Å; F316-F391 HydrophobicContact CD1-CE1 4.24Å; F316-F391 AromaticContact CD1-CZ 3.95Å; F316-F391 HydrophobicContact CD1-CZ 3.95Å; F316-F391 AromaticContact CE1-CE1 3.53Å; F316-F391 HydrophobicContact CE1-CE1 3.53Å; F316-F391 AromaticContact CE1-CZ 3.59Å; F316-F391 HydrophobicContact CE1-CZ 3.59Å; F316-F391 HydrophobicContact CE2-CZ 4.44Å; F316-F391 AromaticContact CZ-CE1 3.89Å; F316-F391 HydrophobicContact CZ-CE1 3.89Å; F316-F391 AromaticContact CZ-CZ 3.86Å; F316-F391 HydrophobicContact CZ-CZ 3.86Å; F316-L431 HydrophobicContact CD2-CD1 4.14Å; F316-L431 HydrophobicContact CE2-CD1 3.9Å; F316-L453 HydrophobicContact CE2-CD1 4.35Å; F316-L453 HydrophobicContact CE2-CD2 4.08Å; F316-L453 HydrophobicContact CZ-CD2 4.11Å
317	Y	94.6	Very high	82.4	Confident	34 Å²	34	47 Å²	47	13%	0.133	25%	0.25	C	C	.	.	H	α-helix	trans	-57.5	-50	174.3	-174.2	-84.2	0	0	0	111.6	A310 S313 S314 F320 S321 R487 T496 F497	A310-Y317 HydrophobicContact CB-CD2 4.01Å; A310-Y317 HydrophobicContact CB-CG 4.49Å; A310-Y317 WeakPolarHBondContact O-CB 3.11Å; S313-Y317 PolarHBondContact O-N 3.26Å; S314-Y317 WeakPolarHBondContact O-CB 3.02Å; S314-Y317 PolarHBondContact O-N 2.97Å; Y317-F320 PolarHBondContact O-N 2.86Å; Y317-S321 VanDerWaalsContact O-CB 3.3Å; Y317-S321 WeakPolarHBondContact O-CB 3.44Å; Y317-S321 PolarHBondContact O-N 2.99Å; Y317-S321 PolarHBondContact O-OG 3.32Å; Y317-R487 HydrophobicContact CD2-CG 4.49Å; Y317-R487 VanDerWaalsContact CD2-NH1 3.26Å; Y317-T496 HydrophobicContact CE2-CG2 4.49Å; Y317-F497 AromaticContact CD2-CE2 3.77Å; Y317-F497 HydrophobicContact CD2-CE2 3.77Å; Y317-F497 HydrophobicContact CD2-CZ 4.31Å; Y317-F497 AromaticContact CE2-CE2 3.76Å; Y317-F497 HydrophobicContact CE2-CE2 3.76Å; Y317-F497 HydrophobicContact CE2-CZ 4.37Å
318	D	93.9	Very high	79.5	Confident	80 Å²	80	55.6 Å²	55.6	43%	0.428	29%	0.29	S	S	.	.	H	α-helix	trans	-64.8	-43.5	179.8	-65.8	-18.4	0	0	0	110.7	S314 F320 S321 M322 W387	S314-D318 VanDerWaalsContact O-CG 3.22Å; S314-D318 PolarHBondContact O-N 2.96Å; D318-F320 PolarHBondContact O-N 3.27Å; D318-S321 PolarHBondContact O-N 3.28Å; D318-M322 VanDerWaalsContact O-CG 3.25Å; D318-M322 WeakPolarHBondContact O-CG 3.31Å; D318-M322 PolarHBondContact O-N 2.75Å; D318-W387 HydrophobicContact CB-CH2 4.38Å; D318-W387 HydrophobicContact CB-CZ2 3.99Å
319	L	94.3	Very high	76.6	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-55.4	-49.2	177	176.5	65.3	0	0	0	112.1	K315 F316 S321 M322 L384 W387 F391 I394 V413	K315-L319 VanDerWaalsContact O-CB 3.28Å; K315-L319 WeakPolarHBondContact O-CB 3.46Å; K315-L319 PolarHBondContact O-N 3.04Å; F316-L319 HydrophobicContact CD1-CD2 4.08Å; F316-L319 HydrophobicContact CE1-CD2 4.39Å; F316-L319 PolarHBondContact O-N 3.3Å; L319-S321 VanDerWaalsContact C-N 3.3Å; L319-M322 PolarHBondContact O-N 2.94Å; L319-L384 HydrophobicContact CD1-CD1 3.36Å; L319-L384 HydrophobicContact CD1-CD2 4.48Å; L319-W387 HydrophobicContact CB-CH2 3.99Å; L319-W387 HydrophobicContact CB-CZ3 4.13Å; L319-W387 HydrophobicContact CD1-CZ3 4.02Å; L319-F391 HydrophobicContact CD2-CD1 3.9Å; L319-F391 HydrophobicContact CD2-CD2 4.21Å; L319-F391 HydrophobicContact CD2-CE1 3.72Å; L319-F391 HydrophobicContact CD2-CE2 4.06Å; L319-F391 HydrophobicContact CD2-CG 4.14Å; L319-F391 HydrophobicContact CD2-CZ 3.8Å; L319-I394 HydrophobicContact CD1-CB 4.36Å; L319-I394 HydrophobicContact CD1-CD1 3.89Å; L319-I394 HydrophobicContact CD1-CG2 4.39Å; L319-I394 HydrophobicContact CG-CD1 3.91Å; L319-V413 HydrophobicContact CD2-CG1 4.09Å; L319-V413 HydrophobicContact CD2-CG2 4.23Å
320	F	93.8	Very high	73.4	Confident	23 Å²	23	71.6 Å²	71.6	10%	0.101	37%	0.374	C	S	.	.	H	α-helix	trans	-79.4	-14.3	-178.3	-58.2	-41.6	0	0	0	113.7	V292 K306 L309 A310 F316 Y317 D318 M322 I394 T411 V413 F497	V292-F320 HydrophobicContact CG1-CZ 4.43Å; V292-F320 HydrophobicContact CG2-CE1 3.92Å; V292-F320 HydrophobicContact CG2-CZ 3.98Å; K306-F320 HydrophobicContact CB-CD2 3.96Å; K306-F320 HydrophobicContact CB-CE2 4.17Å; K306-F320 HydrophobicContact CB-CG 4.45Å; K306-F320 HydrophobicContact CD-CG 4.42Å; K306-F320 HydrophobicContact CG-CD1 4.3Å; K306-F320 HydrophobicContact CG-CD2 4.02Å; K306-F320 HydrophobicContact CG-CE1 4.38Å; K306-F320 HydrophobicContact CG-CE2 4.11Å; K306-F320 HydrophobicContact CG-CG 4.13Å; K306-F320 HydrophobicContact CG-CZ 4.29Å; L309-F320 HydrophobicContact CB-CE2 3.94Å; L309-F320 HydrophobicContact CD1-CE2 4.22Å; L309-F320 HydrophobicContact CD1-CZ 4.13Å; A310-F320 HydrophobicContact CB-CD2 4.28Å; F316-F320 HydrophobicContact CB-CD2 4.38Å; F316-F320 HydrophobicContact CB-CE2 3.95Å; F316-F320 AromaticContact CD1-CE2 3.79Å; F316-F320 HydrophobicContact CD1-CE2 3.79Å; F316-F320 AromaticContact CD1-CZ 3.65Å; F316-F320 HydrophobicContact CD1-CZ 3.65Å; F316-F320 HydrophobicContact CE1-CZ 4.29Å; F316-F320 HydrophobicContact CG-CE2 4.27Å; F316-F320 WeakPolarHBondContact O-CD2 3.21Å; F316-F320 WeakPolarHBondContact O-CG 3.4Å; F316-F320 PolarHBondContact O-N 3.49Å; Y317-F320 PolarHBondContact O-N 2.86Å; D318-F320 PolarHBondContact O-N 3.27Å; F320-M322 VanDerWaalsContact C-N 3.34Å; F320-I394 HydrophobicContact CD1-CD1 4.19Å; F320-T411 HydrophobicContact CD1-CG2 4.47Å; F320-T411 HydrophobicContact CE1-CG2 4.43Å; F320-V413 HydrophobicContact CE1-CG2 4Å; F320-F497 HydrophobicContact CB-CD1 4.39Å; F320-F497 HydrophobicContact CB-CE1 3.53Å; F320-F497 HydrophobicContact CB-CZ 3.92Å
321	S	90.7	Very high	70.1	Confident	56 Å²	56	83.1 Å²	83.1	39%	0.392	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-4.6	174.6	-57.1	0	0	0	0	112.9	Y317 D318 L319 D323	Y317-S321 VanDerWaalsContact O-CB 3.3Å; Y317-S321 WeakPolarHBondContact O-CB 3.44Å; Y317-S321 PolarHBondContact O-N 2.99Å; Y317-S321 PolarHBondContact O-OG 3.32Å; D318-S321 PolarHBondContact O-N 3.28Å; L319-S321 VanDerWaalsContact C-N 3.3Å; S321-D323 PolarHBondContact O-N 3.39Å
322	M	85.3	Confident	67.2	Low	45 Å²	45	88.5 Å²	88.5	22%	0.222	45%	0.453	C	S	.	.	S	Bend	trans	-70.1	128.2	177.1	-62.3	-167.4	169.9	0	0	111	D318 L319 F320 T324 L384 W387	D318-M322 VanDerWaalsContact O-CG 3.25Å; D318-M322 WeakPolarHBondContact O-CG 3.31Å; D318-M322 PolarHBondContact O-N 2.75Å; L319-M322 PolarHBondContact O-N 2.94Å; F320-M322 VanDerWaalsContact C-N 3.34Å; M322-T324 PolarHBondContact O-N 3.3Å; M322-L384 HydrophobicContact SD-CD2 4.08Å; M322-W387 HydrophobicContact CE-CD2 3.53Å; M322-W387 HydrophobicContact CE-CE3 4.13Å; M322-W387 HydrophobicContact CE-CG 3.91Å; M322-W387 HydrophobicContact CE-CH2 4.09Å; M322-W387 HydrophobicContact CE-CZ2 3.5Å; M322-W387 VanDerWaalsContact CE-CZ2 3.5Å; M322-W387 HydrophobicContact CE-CZ3 4.37Å; M322-W387 VanDerWaalsContact CE-NE1 3.28Å
323	D	61.8	Low	64.1	Low	118 Å²	118	93.6 Å²	93.6	63%	0.631	49%	0.486	S	S	*	.			trans	-63.3	109.3	170.7	-73.1	-33	0	0	0	109.8	S321 Q325	S321-D323 PolarHBondContact O-N 3.39Å; D323-Q325 PolarHBondContact O-N 3.48Å
324	T	55.4	Low	60.9	Low	56 Å²	56	105.4 Å²	105.4	34%	0.344	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	4	171.5	51.8	0	0	0	0	112.6	M322	M322-T324 PolarHBondContact O-N 3.3Å
325	Q	42.1	Very low	57.7	Low	144 Å²	144	105.7 Å²	105.7	67%	0.673	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-9.1	-167.9	-68	-166.4	0.7	0	0	116.9	D323	D323-Q325 PolarHBondContact O-N 3.48Å
326	N	34.8	Very low	54.6	Low	125 Å²	125	110.5 Å²	110.5	67%	0.668	58%	0.576	S	S	*	*			trans	-117.9	89.5	-174.1	-78.9	-17.6	0	0	0	113.7
327	E	34.9	Very low	51.5	Low	177 Å²	177	118.9 Å²	118.9	83%	0.827	62%	0.62	S	S	*	*			trans	-143.2	35.8	153.4	-81.9	-144.7	169.4	0	0	112.8
328	E	34.5	Very low	48.3	Very low	183 Å²	183	123.2 Å²	123.2	86%	0.855	66%	0.655	S	S	*	*			trans	-138.1	81.5	166.9	-77.6	-168.9	162.8	0	0	111.4
329	T	32.5	Very low	45.1	Very low	141 Å²	141	122.5 Å²	122.5	87%	0.865	67%	0.666	S	S	*	*			trans	178	88.7	138.8	17.6	0	0	0	0	111.7
330	E	29.3	Very low	41.9	Very low	198 Å²	198	133.9 Å²	133.9	93%	0.925	71%	0.709	S	S	*	*			trans	-142.8	84.1	148.4	-80.2	-156.7	161.5	0	0	110.7
331	R	26.7	Very low	38.8	Very low	241 Å²	241	142 Å²	142	91%	0.909	75%	0.747	S	S	*	*			trans	-139.4	142.4	142	-82.9	-166.7	-179.7	170.5	1.5	109.2
332	P	32.9	Very low	35.8	Very low	122 Å²	122	146.3 Å²	146.3	79%	0.792	77%	0.765	S	S	*	*			trans	-96.1	159.2	-150.3	36.8	-33.8	0	0	0	112.9
333	P	29.7	Very low	33.1	Very low	125 Å²	125	151.1 Å²	151.1	81%	0.812	79%	0.791	S	S	*	*			trans	-108.4	139.1	149	30	-16.8	0	0	0	111.4
334	R	27.5	Very low	31.5	Very low	256 Å²	256	154.5 Å²	154.5	97%	0.966	81%	0.806	S	S	*	*			trans	-66	137.9	173.5	-66.9	171	169.6	178.1	-4.1	111.2
335	G	26.4	Very low	30.2	Very low	72 Å²	72	163.5 Å²	163.5	74%	0.742	83%	0.833	S	S	*	*			trans	161	146.7	162.3	0	0	0	0	0	113.4
336	P	30.7	Very low	29.5	Very low	124 Å²	124	161.1 Å²	161.1	81%	0.805	84%	0.838	S	S	*	*			trans	-98.8	145.6	-138.6	36.2	-33.1	0	0	0	116.9
337	L	28.9	Very low	29.2	Very low	177 Å²	177	160.2 Å²	160.2	93%	0.927	85%	0.848	S	S	*	*			trans	29.3	112.2	143.8	-67.5	163.8	0	0	0	120.5
338	S	27.9	Very low	28.8	Very low	125 Å²	125	157.3 Å²	157.3	87%	0.874	85%	0.848	S	S	*	*			trans	-177.2	120.7	136	-176.4	0	0	0	0	105
339	G	26.1	Very low	28.4	Very low	64 Å²	64	157.3 Å²	157.3	66%	0.66	85%	0.845	S	S	*	*			cis	124.4	104.6	41.2	0	0	0	0	0	106.9
340	R	28.8	Very low	28.2	Very low	240 Å²	240	158.5 Å²	158.5	91%	0.906	85%	0.846	S	S	*	*			trans	68.1	135.2	175.3	-63.3	175.8	170.6	-179.8	-4.5	114.5
341	E	27.5	Very low	28.1	Very low	192 Å²	192	155.2 Å²	155.2	90%	0.897	84%	0.839	S	S	*	*			cis	-162.3	158.4	39.3	-136.6	162.5	-155.4	0	0	111
342	L	27.9	Very low	28	Very low	148 Å²	148	149.4 Å²	149.4	78%	0.775	83%	0.834	S	S	*	*			trans	-109.3	138.7	-162.2	-178.3	84.7	0	0	0	110.7
343	L	29.7	Very low	27.8	Very low	146 Å²	146	153 Å²	153	76%	0.764	84%	0.84	S	S	*	*			trans	44.9	130.4	150.5	-64.1	165.9	0	0	0	121.1
344	M	27.8	Very low	27.7	Very low	189 Å²	189	151.7 Å²	151.7	93%	0.931	83%	0.834	S	S	*	*				-165.5	105.6	127.7	-101.3	-97.8	-124.4	0	0	110.7
345	R	27	Very low	27.7	Very low	244 Å²	244	147.2 Å²	147.2	92%	0.921	83%	0.829	S	S	*	*			trans	-133.9	138.4	159.6	-158.2	178.3	-169.4	166.9	2.7	106.9
346	A	27.8	Very low	27.7	Very low	95 Å²	95	150.8 Å²	150.8	79%	0.785	83%	0.831	S	S	*	*			trans	83	116.6	172.3	0	0	0	0	0	117.9
347	A	28	Very low	27.6	Very low	105 Å²	105	152 Å²	152	87%	0.868	83%	0.831	S	S	*	*			trans	-138.2	96.2	145.9	0	0	0	0	0	107.4
348	S	27	Very low	27.5	Very low	117 Å²	117	146.9 Å²	146.9	82%	0.818	82%	0.821	S	S	*	*			trans	-93	131.8	150.1	-173.4	0	0	0	0	106.1
349	F	27.1	Very low	27.4	Very low	182 Å²	182	147.8 Å²	147.8	80%	0.798	82%	0.816	S	S	*	*			trans	-55.5	131.1	167.2	-100.4	-112.4	0	0	0	109.6
350	D	26.8	Very low	27.5	Very low	167 Å²	167	155.5 Å²	155.5	89%	0.893	83%	0.825	S	S	*	*				-161.3	141.3	128.8	-95.6	-25.7	0	0	0	110.7
351	V	28.3	Very low	27.4	Very low	129 Å²	129	147.7 Å²	147.7	78%	0.782	81%	0.813	S	S	*	*			trans	-84.3	140.7	-169.1	166.9	0	0	0	0	110.6
352	C	25.2	Very low	27.5	Very low	118 Å²	118	146.2 Å²	146.2	80%	0.797	81%	0.811	S	S	*	*			trans	-49.8	145.9	174.9	-71.5	0	0	0	0	114.6
353	E	28.1	Very low	27.5	Very low	198 Å²	198	147.4 Å²	147.4	93%	0.925	82%	0.817	S	S	*	*				-147.1	143.7	121.2	-112.5	178.1	-168.8	0	0	111.2
354	S	26.4	Very low	27.5	Very low	97 Å²	97	152.3 Å²	152.3	68%	0.678	83%	0.825	S	S	*	*			trans	-82.7	150.8	-164.1	45.6	0	0	0	0	114.7
355	N	27.5	Very low	27.4	Very low	163 Å²	163	147.8 Å²	147.8	87%	0.872	82%	0.818	S	S	*	*				-170.3	153.1	118.9	-98	-7.4	0	0	0	113.5
356	D	27.1	Very low	27.4	Very low	146 Å²	146	141.7 Å²	141.7	78%	0.781	81%	0.812	S	S	*	*			trans	-77.3	176.6	-164	-150.9	1.7	0	0	0	115.7
357	D	28.4	Very low	27.4	Very low	150 Å²	150	143.3 Å²	143.3	80%	0.802	81%	0.812	S	S	*	*			trans	91.5	122.5	156.4	-78.8	-32	0	0	0	121.9
358	G	26.5	Very low	27.6	Very low	70 Å²	70	143.7 Å²	143.7	72%	0.722	81%	0.808	S	S	*	*				122	97.3	129.8	0	0	0	0	0	119
359	D	27.2	Very low	27.7	Very low	144 Å²	144	146.3 Å²	146.3	77%	0.77	81%	0.813	S	S	*	*			trans	79.9	110.3	135.9	-92	-26.2	0	0	0	123.8
360	R	28.1	Very low	27.7	Very low	225 Å²	225	141 Å²	141	85%	0.849	81%	0.809	S	S	*	*				53	116.5	120.6	-82.9	-180	166	173.4	-1.8	122
361	A	26.8	Very low	27.9	Very low	77 Å²	77	139.7 Å²	139.7	64%	0.636	81%	0.808	S	S	*	*				69.8	118.6	123.3	0	0	0	0	0	120
362	N	28.4	Very low	27.9	Very low	160 Å²	160	141.7 Å²	141.7	86%	0.856	81%	0.813	S	S	*	*				-179.6	123.9	98.8	-90.8	-45	0	0	0	112.5
363	L	28.2	Very low	28.2	Very low	174 Å²	174	145.1 Å²	145.1	91%	0.911	81%	0.814	S	S	*	*			trans	-65	131	160.7	-74.4	149.3	0	0	0	109.7
364	R	29.3	Very low	28.2	Very low	249 Å²	249	143.5 Å²	143.5	94%	0.94	81%	0.812	S	S	*	*			trans	-141.8	117.1	151.1	-96.1	-172.6	-175.3	171.5	2.3	110.7
365	A	26.4	Very low	28.5	Very low	93 Å²	93	144.8 Å²	144.8	77%	0.769	82%	0.821	S	S	*	*			trans	-75.3	150.8	162.2	0	0	0	0	0	110.4
366	C	27.4	Very low	28.7	Very low	117 Å²	117	146.2 Å²	146.2	79%	0.791	82%	0.822	S	S	*	*			trans	-164.6	100.5	149.1	-97	0	0	0	0	107.2
367	T	27.9	Very low	28.9	Very low	128 Å²	128	142.4 Å²	142.4	79%	0.785	82%	0.818	S	S	*	*				70.6	106.1	99.8	57.7	0	0	0	0	113.7
368	S	30.6	Very low	29.2	Very low	113 Å²	113	140.3 Å²	140.3	79%	0.79	82%	0.821	S	S	*	*			trans	-60.4	139.5	162.3	50.4	0	0	0	0	112.1
369	D	30.6	Very low	30.1	Very low	172 Å²	172	148 Å²	148	92%	0.92	83%	0.828	S	S	*	*			trans	-136	125.6	148.8	-103.6	-24	0	0	0	109.1
370	G	27.5	Very low	31.4	Very low	70 Å²	70	149.7 Å²	149.7	72%	0.722	82%	0.824	S	S	*	*			trans	-87.9	148.8	-179.3	0	0	0	0	0	111.9
371	T	30.3	Very low	33	Very low	141 Å²	141	141.1 Å²	141.1	87%	0.865	81%	0.806	S	S	*	*			trans	-143.9	113.7	155.7	-43	0	0	0	0	108.7
372	L	28.5	Very low	35.6	Very low	170 Å²	170	142.3 Å²	142.3	89%	0.89	79%	0.794	S	S	*	*			trans	-67.5	129.1	173	-76.1	151.3	0	0	0	110.2
373	K	31.7	Very low	38.3	Very low	191 Å²	191	140.9 Å²	140.9	83%	0.83	79%	0.785	S	S	*	*			trans	-148.5	120.6	150.8	-84.3	-162.2	175.5	179.9	0	111.7
374	D	28.3	Very low	41.1	Very low	163 Å²	163	132.8 Å²	132.8	87%	0.872	74%	0.743	S	S	*	*			trans	48.3	126.2	148.5	-60.7	-26.2	0	0	0	122
375	S	31.2	Very low	43.4	Very low	124 Å²	124	125.3 Å²	125.3	87%	0.867	73%	0.729	S	S	*	*			trans	-94	111.4	-178.4	-172.2	0	0	0	0	110.1
376	E	31.9	Very low	45.9	Very low	193 Å²	193	126.5 Å²	126.5	90%	0.902	73%	0.732	S	S	*	*			trans	-131.9	124	156	-80.6	-164.5	159.5	0	0	108.7
377	G	32.2	Very low	48.8	Very low	66 Å²	66	124.8 Å²	124.8	68%	0.68	71%	0.709	S	S	*	*			trans	46.2	98.4	160.5	0	0	0	0	0	117.7	R379	G377-R379 PolarHBondContact O-N 2.95Å
378	A	35.3	Very low	51.7	Low	106 Å²	106	119.1 Å²	119.1	88%	0.876	67%	0.674	S	S	*	*			trans	-45	99.8	176.7	0	0	0	0	0	113.9	R380	A378-R380 PolarHBondContact O-N 2.89Å
379	R	44.6	Very low	54.4	Low	231 Å²	231	123.3 Å²	123.3	87%	0.872	67%	0.673	S	S	*	*			trans	-74.2	111.4	168.3	-73.1	-177.1	176.1	-177.1	-1.9	109	G377 G381	G377-R379 PolarHBondContact O-N 2.95Å; R379-G381 PolarHBondContact O-N 3.33Å; R379-G381 VanDerWaalsContact O-N 3.17Å
380	R	54.8	Low	57.3	Low	181 Å²	181	115.1 Å²	115.1	68%	0.683	63%	0.629	S	S	*	*			trans	-81.9	76.8	172.4	-91.2	-177.8	172.4	-177.7	-2.8	110.5	A378 Q395	A378-R380 PolarHBondContact O-N 2.89Å; R380-Q395 WeakPolarHBondContact O-CB 3.48Å
381	G	61.2	Low	60.4	Low	45 Å²	45	111.9 Å²	111.9	46%	0.464	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.1	141.6	177.2	0	0	0	0	0	113.6	R379 I394	R379-G381 PolarHBondContact O-N 3.33Å; R379-G381 VanDerWaalsContact O-N 3.17Å; G381-I394 WeakPolarHBondContact CA-O 3Å
382	R	81.6	Confident	63.4	Low	101 Å²	101	107.7 Å²	107.7	38%	0.381	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.1	130.1	175.7	177.4	-179.9	-84.2	-110	-2.8	109.6	L384 S393 I394	R382-L384 HydrophobicContact CG-CD2 4.18Å; R382-S393 WeakPolarHBondContact O-CA 3.47Å; R382-S393 WeakPolarHBondContact O-CB 3.48Å; R382-I394 HydrophobicContact CB-CG2 4.17Å; R382-I394 PolarHBondContact N-O 3.18Å; R382-I394 PolarHBondContact O-N 3.05Å
383	L	85.7	Confident	66.4	Low	131 Å²	131	100.4 Å²	100.4	69%	0.686	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	135.4	171	-74	162	0	0	0	110.1
384	L	87.2	Confident	69.3	Low	3 Å²	3	91.6 Å²	91.6	2%	0.016	49%	0.494	C	S	.	.			trans	-119.5	3.5	-171.8	-64.2	174.2	0	0	0	113.8	L319 M322 R382 S386 W387 S388 F391 V392 I394	L319-L384 HydrophobicContact CD1-CD1 3.36Å; L319-L384 HydrophobicContact CD1-CD2 4.48Å; M322-L384 HydrophobicContact SD-CD2 4.08Å; R382-L384 HydrophobicContact CG-CD2 4.18Å; L384-S386 PolarHBondContact O-N 2.94Å; L384-S386 VanDerWaalsContact O-N 3.11Å; L384-W387 HydrophobicContact CD2-CE3 4.39Å; L384-W387 WeakPolarHBondContact O-CA 3.3Å; L384-W387 PolarHBondContact O-N 3.29Å; L384-S388 PolarHBondContact O-N 3.5Å; L384-F391 CarbonylContact C-O 3.6Å; L384-F391 HydrophobicContact CB-CB 4.13Å; L384-F391 WeakPolarHBondContact CB-O 3.45Å; L384-F391 HydrophobicContact CD1-CB 3.78Å; L384-V392 PolarHBondContact N-O 3.43Å; L384-I394 HydrophobicContact CD1-CB 3.88Å; L384-I394 HydrophobicContact CD1-CG2 3.72Å; L384-I394 HydrophobicContact CD2-CG2 4.26Å; L384-I394 HydrophobicContact CG-CG2 4.17Å
385	S	77.3	Confident	72.3	Confident	92 Å²	92	85 Å²	85	64%	0.643	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.9	-175.8	53.9	0	0	0	0	114.4
386	S	78.9	Confident	75.2	Confident	119 Å²	119	83.5 Å²	83.5	83%	0.832	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-17.5	173.2	57.4	0	0	0	0	113.9	L384	L384-S386 PolarHBondContact O-N 2.94Å; L384-S386 VanDerWaalsContact O-N 3.11Å
387	W	87.8	Confident	78	Confident	80 Å²	80	77.7 Å²	77.7	30%	0.303	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-34.8	-176.7	179.6	77.5	0	0	0	112.9	K315 D318 L319 M322 L384 F391	K315-W387 HydrophobicContact CD-CH2 3.77Å; K315-W387 HydrophobicContact CD-CZ2 4.11Å; K315-W387 HydrophobicContact CD-CZ3 4.38Å; K315-W387 HydrophobicContact CG-CH2 3.94Å; K315-W387 HydrophobicContact CG-CZ3 4.39Å; D318-W387 HydrophobicContact CB-CH2 4.38Å; D318-W387 HydrophobicContact CB-CZ2 3.99Å; L319-W387 HydrophobicContact CB-CH2 3.99Å; L319-W387 HydrophobicContact CB-CZ3 4.13Å; L319-W387 HydrophobicContact CD1-CZ3 4.02Å; M322-W387 HydrophobicContact CE-CD2 3.53Å; M322-W387 HydrophobicContact CE-CE3 4.13Å; M322-W387 HydrophobicContact CE-CG 3.91Å; M322-W387 HydrophobicContact CE-CH2 4.09Å; M322-W387 HydrophobicContact CE-CZ2 3.5Å; M322-W387 VanDerWaalsContact CE-CZ2 3.5Å; M322-W387 HydrophobicContact CE-CZ3 4.37Å; M322-W387 VanDerWaalsContact CE-NE1 3.28Å; L384-W387 HydrophobicContact CD2-CE3 4.39Å; L384-W387 WeakPolarHBondContact O-CA 3.3Å; L384-W387 PolarHBondContact O-N 3.29Å; W387-F391 HydrophobicContact CE3-CD2 4.25Å; W387-F391 AromaticContact CZ3-CD2 3.62Å; W387-F391 HydrophobicContact CZ3-CD2 3.62Å; W387-F391 AromaticContact CZ3-CE2 3.98Å; W387-F391 HydrophobicContact CZ3-CE2 3.98Å
388	S	87.8	Confident	80.8	Confident	10 Å²	10	79.6 Å²	79.6	7%	0.07	40%	0.404	C	S	.	.			trans	-148.8	146.4	-179.7	179.1	0	0	0	0	111.4	L384 A390 F391	L384-S388 PolarHBondContact O-N 3.5Å; S388-A390 VanDerWaalsContact C-N 3.28Å; S388-A390 PolarHBondContact OG-N 2.86Å; S388-F391 WeakPolarHBondContact OG-CD2 3.43Å
389	R	88.2	Confident	83.3	Confident	201 Å²	201	75.5 Å²	75.5	76%	0.758	37%	0.368	S	S	*	.	S	Bend	trans	-80.2	-11.5	171.6	-62.6	179.5	67.5	-176.5	0.4	112.8	D416 L452	R389-D416 WeakPolarHBondContact O-CB 3.32Å; R389-L452 HydrophobicContact CB-CD2 3.86Å
390	A	90.6	Very high	85.2	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.353	C	S	.	.	S	Bend	trans	-94.3	-22.6	-179.3	0	0	0	0	0	113.8	S388 D416 I419 L452 L453	S388-A390 VanDerWaalsContact C-N 3.28Å; S388-A390 PolarHBondContact OG-N 2.86Å; A390-D416 PolarHBondContact O-N 3.02Å; A390-I419 HydrophobicContact CB-CD1 4.16Å; A390-L452 HydrophobicContact CB-CB 4.12Å; A390-L453 HydrophobicContact CB-CD2 3.59Å; A390-L453 HydrophobicContact CB-CG 4.27Å
391	F	94	Very high	86.4	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.009	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.1	-171.1	-53.4	-67.4	0	0	0	111.1	K315 F316 L319 L384 W387 S388 V413 M415 L453	K315-F391 HydrophobicContact CG-CE2 3.86Å; F316-F391 HydrophobicContact CD1-CE1 4.24Å; F316-F391 AromaticContact CD1-CZ 3.95Å; F316-F391 HydrophobicContact CD1-CZ 3.95Å; F316-F391 AromaticContact CE1-CE1 3.53Å; F316-F391 HydrophobicContact CE1-CE1 3.53Å; F316-F391 AromaticContact CE1-CZ 3.59Å; F316-F391 HydrophobicContact CE1-CZ 3.59Å; F316-F391 HydrophobicContact CE2-CZ 4.44Å; F316-F391 AromaticContact CZ-CE1 3.89Å; F316-F391 HydrophobicContact CZ-CE1 3.89Å; F316-F391 AromaticContact CZ-CZ 3.86Å; F316-F391 HydrophobicContact CZ-CZ 3.86Å; L319-F391 HydrophobicContact CD2-CD1 3.9Å; L319-F391 HydrophobicContact CD2-CD2 4.21Å; L319-F391 HydrophobicContact CD2-CE1 3.72Å; L319-F391 HydrophobicContact CD2-CE2 4.06Å; L319-F391 HydrophobicContact CD2-CG 4.14Å; L319-F391 HydrophobicContact CD2-CZ 3.8Å; L384-F391 CarbonylContact C-O 3.6Å; L384-F391 HydrophobicContact CB-CB 4.13Å; L384-F391 WeakPolarHBondContact CB-O 3.45Å; L384-F391 HydrophobicContact CD1-CB 3.78Å; W387-F391 HydrophobicContact CE3-CD2 4.25Å; W387-F391 AromaticContact CZ3-CD2 3.62Å; W387-F391 HydrophobicContact CZ3-CD2 3.62Å; W387-F391 AromaticContact CZ3-CE2 3.98Å; W387-F391 HydrophobicContact CZ3-CE2 3.98Å; S388-F391 WeakPolarHBondContact OG-CD2 3.43Å; F391-V413 HydrophobicContact CD1-CG1 3.56Å; F391-V413 HydrophobicContact CE1-CG1 4.13Å; F391-V413 HydrophobicContact CG-CG1 4.43Å; F391-M415 HydrophobicContact CD1-CE 3.95Å; F391-M415 HydrophobicContact CD1-SD 3.78Å; F391-M415 HydrophobicContact CE1-CE 3.68Å; F391-M415 HydrophobicContact CE1-SD 3.83Å; F391-L453 HydrophobicContact CE1-CD2 4.01Å; F391-L453 HydrophobicContact CE2-CD2 4.13Å; F391-L453 HydrophobicContact CZ-CD2 3.5Å
392	V	92.2	Very high	87.3	Confident	53 Å²	53	60.5 Å²	60.5	32%	0.321	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-47.5	179.3	178.6	0	0	0	0	110.8	L384 H414 D416	L384-V392 PolarHBondContact N-O 3.43Å; V392-H414 HydrophobicContact CB-CB 4.13Å; V392-H414 PolarHBondContact N-O 3.24Å; V392-D416 HydrophobicContact CG2-CB 4.43Å
393	S	91.8	Very high	87.3	Confident	17 Å²	17	58.1 Å²	58.1	12%	0.119	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	159.4	178.5	63.9	0	0	0	0	112.6	R382 V413 H414	R382-S393 WeakPolarHBondContact O-CA 3.47Å; R382-S393 WeakPolarHBondContact O-CB 3.48Å; S393-V413 WeakPolarHBondContact O-CA 3.41Å; S393-H414 PolarHBondContact O-N 3.3Å; S393-H414 PolarHBondContact OG-CD2 3.36Å; S393-H414 VanDerWaalsContact OG-CD2 3.3Å
394	I	93.1	Very high	86.9	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.8	171.6	-174.4	165.9	0	0	0	109.7	L319 F320 G381 R382 L384 T411 V412 V413	L319-I394 HydrophobicContact CD1-CB 4.36Å; L319-I394 HydrophobicContact CD1-CD1 3.89Å; L319-I394 HydrophobicContact CD1-CG2 4.39Å; L319-I394 HydrophobicContact CG-CD1 3.91Å; F320-I394 HydrophobicContact CD1-CD1 4.19Å; G381-I394 WeakPolarHBondContact CA-O 3Å; R382-I394 HydrophobicContact CB-CG2 4.17Å; R382-I394 PolarHBondContact N-O 3.18Å; R382-I394 PolarHBondContact O-N 3.05Å; L384-I394 HydrophobicContact CD1-CB 3.88Å; L384-I394 HydrophobicContact CD1-CG2 3.72Å; L384-I394 HydrophobicContact CD2-CG2 4.26Å; L384-I394 HydrophobicContact CG-CG2 4.17Å; I394-T411 HydrophobicContact CD1-CG2 3.68Å; I394-T411 HydrophobicContact CG1-CG2 3.68Å; I394-V412 WeakPolarHBondContact CA-O 3.46Å; I394-V413 HydrophobicContact CD1-CG2 4.19Å; I394-V413 HydrophobicContact CG1-CG2 4.16Å
395	Q	91.8	Very high	86.6	Confident	26 Å²	26	62.8 Å²	62.8	12%	0.121	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	161.4	-179.4	52.7	-173.2	1.4	0	0	111.5	R380 E397 T411 V412 H414	R380-Q395 WeakPolarHBondContact O-CB 3.48Å; Q395-E397 VanDerWaalsContact CD-OE1 3.27Å; Q395-E397 HydrophobicContact CG-CG 4.1Å; Q395-E397 PolarHBondContact NE2-OE1 3.47Å; Q395-T411 CarbonylContact O-C 3.55Å; Q395-T411 WeakPolarHBondContact O-CA 3.13Å; Q395-V412 HydrophobicContact CG-CB 4.2Å; Q395-V412 PolarHBondContact N-O 3.35Å; Q395-V412 PolarHBondContact O-N 3.04Å; Q395-H414 PolarHBondContact NE2-NE2 3.01Å
396	E	91.6	Very high	86.8	Confident	92 Å²	92	61.1 Å²	61.1	43%	0.43	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.4	168.5	-70.2	-169.6	155.4	0	0	109.5
397	E	90.9	Very high	87	Confident	70 Å²	70	59.7 Å²	59.7	33%	0.327	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	147	177.7	-61.3	-170.1	162.4	0	0	110.5	Q395 V399 F409 M410 V412	Q395-E397 VanDerWaalsContact CD-OE1 3.27Å; Q395-E397 HydrophobicContact CG-CG 4.1Å; Q395-E397 PolarHBondContact NE2-OE1 3.47Å; E397-V399 HydrophobicContact CB-CG2 3.9Å; E397-V399 PolarHBondContact O-N 3.03Å; E397-F409 WeakPolarHBondContact O-CA 3.4Å; E397-M410 PolarHBondContact N-O 3.48Å; E397-M410 PolarHBondContact O-N 3.47Å; E397-V412 HydrophobicContact CB-CG2 3.77Å; E397-V412 HydrophobicContact CG-CB 4.3Å; E397-V412 HydrophobicContact CG-CG2 3.84Å
398	L	90.4	Very high	86.8	Confident	106 Å²	106	59.3 Å²	59.3	56%	0.555	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	112.6	168.4	-171.8	73.4	0	0	0	108	P407 F409	L398-P407 HydrophobicContact CD1-CB 4.18Å; L398-P407 HydrophobicContact CD2-CB 4.37Å; L398-P407 HydrophobicContact CG-CB 4.2Å; L398-F409 HydrophobicContact CB-CD1 4.39Å; L398-F409 HydrophobicContact CB-CE1 4.12Å; L398-F409 HydrophobicContact CB-CZ 4.4Å; L398-F409 HydrophobicContact CD1-CD2 3.94Å; L398-F409 HydrophobicContact CD1-CE1 4.46Å; L398-F409 HydrophobicContact CD1-CE2 3.87Å; L398-F409 HydrophobicContact CD1-CG 4.27Å; L398-F409 HydrophobicContact CD1-CZ 4.14Å
399	V	88	Confident	86.8	Confident	20 Å²	20	65.7 Å²	65.7	12%	0.121	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.8	-176.2	-171.5	0	0	0	0	109.4	I293 E397 D401 R408 V412	I293-V399 HydrophobicContact CD1-CB 3.97Å; I293-V399 HydrophobicContact CD1-CG1 3.66Å; I293-V399 HydrophobicContact CD1-CG2 3.88Å; E397-V399 HydrophobicContact CB-CG2 3.9Å; E397-V399 PolarHBondContact O-N 3.03Å; V399-D401 PolarHBondContact O-N 3.48Å; V399-R408 PolarHBondContact N-O 2.99Å; V399-R408 PolarHBondContact O-N 3.25Å; V399-V412 HydrophobicContact CG2-CG2 4.39Å
400	D	85.1	Confident	86.9	Confident	102 Å²	102	56.2 Å²	56.2	55%	0.545	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	126.2	172.8	-62.3	-38.8	0	0	0	110.1
401	D	80.4	Confident	87	Confident	8 Å²	8	56.6 Å²	56.6	4%	0.043	29%	0.288	C	S	.	.			trans	-58.8	132	176.1	179.6	-85.7	0	0	0	110.2	V399 V403 T404 Y405 T406 M410	V399-D401 PolarHBondContact O-N 3.48Å; D401-V403 PolarHBondContact O-N 3.4Å; D401-V403 VanDerWaalsContact O-N 3.13Å; D401-V403 PolarHBondContact OD1-N 3.49Å; D401-V403 VanDerWaalsContact OD1-N 3.1Å; D401-T404 VanDerWaalsContact CB-OG1 3.26Å; D401-T404 WeakPolarHBondContact CB-OG1 3.48Å; D401-T404 PolarHBondContact OD1-N 2.99Å; D401-T404 PolarHBondContact OD1-OG1 3.24Å; D401-Y405 VanDerWaalsContact O-CA 3.23Å; D401-Y405 WeakPolarHBondContact O-CA 3.5Å; D401-Y405 PolarHBondContact O-N 3.06Å; D401-T406 WeakPolarHBondContact CB-O 3.25Å; D401-T406 PolarHBondContact N-O 3.35Å; D401-M410 HydrophobicContact CB-CE 4.26Å
402	P	79.6	Confident	87	Confident	33 Å²	33	56.7 Å²	56.7	21%	0.214	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.5	-169.6	26.4	-35.5	0	0	0	113.9	P287 F303	P287-P402 HydrophobicContact CB-CG 4.25Å; P287-P402 HydrophobicContact CG-CB 3.96Å; P287-P402 HydrophobicContact CG-CG 3.69Å; F303-P402 HydrophobicContact CD1-CB 4.19Å; F303-P402 HydrophobicContact CD1-CG 3.69Å; F303-P402 HydrophobicContact CD2-CB 4.15Å; F303-P402 HydrophobicContact CD2-CG 4.37Å; F303-P402 HydrophobicContact CE1-CB 4.02Å; F303-P402 HydrophobicContact CE1-CG 3.87Å; F303-P402 HydrophobicContact CE2-CB 3.99Å; F303-P402 HydrophobicContact CG-CB 4.25Å; F303-P402 HydrophobicContact CG-CG 3.96Å; F303-P402 HydrophobicContact CZ-CB 3.92Å; F303-P402 HydrophobicContact CZ-CG 4.28Å
403	V	80.1	Confident	87.1	Confident	51 Å²	51	54.1 Å²	54.1	31%	0.309	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-48.1	-176.5	-177.9	0	0	0	0	110.9	D401	D401-V403 PolarHBondContact O-N 3.4Å; D401-V403 VanDerWaalsContact O-N 3.13Å; D401-V403 PolarHBondContact OD1-N 3.49Å; D401-V403 VanDerWaalsContact OD1-N 3.1Å
404	T	78.6	Confident	87.2	Confident	51 Å²	51	55.9 Å²	55.9	31%	0.313	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-13.5	-174.6	62.7	0	0	0	0	113.4	D401 T406	D401-T404 VanDerWaalsContact CB-OG1 3.26Å; D401-T404 WeakPolarHBondContact CB-OG1 3.48Å; D401-T404 PolarHBondContact OD1-N 2.99Å; D401-T404 PolarHBondContact OD1-OG1 3.24Å; T404-T406 PolarHBondContact O-N 3.5Å; T404-T406 VanDerWaalsContact O-N 3.13Å; T404-T406 PolarHBondContact OG1-OG1 3.41Å
405	Y	80.7	Confident	87.3	Confident	181 Å²	181	56 Å²	56	71%	0.71	28%	0.28	S	S	*	.			trans	54.9	23.3	-173	-55	-76.7	0	0	0	113.7	D401	D401-Y405 VanDerWaalsContact O-CA 3.23Å; D401-Y405 WeakPolarHBondContact O-CA 3.5Å; D401-Y405 PolarHBondContact O-N 3.06Å
406	T	80.9	Confident	87.4	Confident	57 Å²	57	57.3 Å²	57.3	35%	0.35	29%	0.288	S	S	.	.			trans	-93	138.8	176.2	61	0	0	0	0	110	D401 T404 R408	D401-T406 WeakPolarHBondContact CB-O 3.25Å; D401-T406 PolarHBondContact N-O 3.35Å; T404-T406 PolarHBondContact O-N 3.5Å; T404-T406 VanDerWaalsContact O-N 3.13Å; T404-T406 PolarHBondContact OG1-OG1 3.41Å; T406-R408 PolarHBondContact O-N 3.39Å
407	P	83.9	Confident	87.3	Confident	88 Å²	88	58.3 Å²	58.3	57%	0.571	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	122.3	180	26.3	-33.2	0	0	0	110.3	L398	L398-P407 HydrophobicContact CD1-CB 4.18Å; L398-P407 HydrophobicContact CD2-CB 4.37Å; L398-P407 HydrophobicContact CG-CB 4.2Å
408	R	83.6	Confident	87.2	Confident	73 Å²	73	57.5 Å²	57.5	28%	0.275	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.5	-178	-174.4	177.1	176	-174.7	-1.9	110.5	V399 T406 M410	V399-R408 PolarHBondContact N-O 2.99Å; V399-R408 PolarHBondContact O-N 3.25Å; T406-R408 PolarHBondContact O-N 3.39Å; R408-M410 PolarHBondContact O-N 3.25Å
409	F	86.6	Confident	87.3	Confident	143 Å²	143	52.5 Å²	52.5	63%	0.627	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	121.5	170.1	-77.4	-80.7	0	0	0	110	E397 L398	E397-F409 WeakPolarHBondContact O-CA 3.4Å; L398-F409 HydrophobicContact CB-CD1 4.39Å; L398-F409 HydrophobicContact CB-CE1 4.12Å; L398-F409 HydrophobicContact CB-CZ 4.4Å; L398-F409 HydrophobicContact CD1-CD2 3.94Å; L398-F409 HydrophobicContact CD1-CE1 4.46Å; L398-F409 HydrophobicContact CD1-CE2 3.87Å; L398-F409 HydrophobicContact CD1-CG 4.27Å; L398-F409 HydrophobicContact CD1-CZ 4.14Å
410	M	90.4	Very high	87.5	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.5	175.3	-66	-167.5	179	0	0	110.3	A290 I293 F303 E397 D401 R408 V412	A290-M410 VanDerWaalsContact O-CE 3.29Å; A290-M410 WeakPolarHBondContact O-CE 3.39Å; I293-M410 HydrophobicContact CD1-CB 4.21Å; I293-M410 HydrophobicContact CD1-SD 3.87Å; I293-M410 HydrophobicContact CG1-CB 4.24Å; I293-M410 HydrophobicContact CG1-SD 3.89Å; F303-M410 HydrophobicContact CD1-SD 4.25Å; F303-M410 HydrophobicContact CE1-SD 4.2Å; E397-M410 PolarHBondContact N-O 3.48Å; E397-M410 PolarHBondContact O-N 3.47Å; D401-M410 HydrophobicContact CB-CE 4.26Å; R408-M410 PolarHBondContact O-N 3.25Å; M410-V412 PolarHBondContact O-N 2.68Å
411	T	93.9	Very high	87.7	Confident	9 Å²	9	53 Å²	53	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	123.5	171.3	-65.4	0	0	0	0	109.1	D291 V292 I293 K306 F320 I394 Q395 V413	D291-T411 PolarHBondContact O-N 2.89Å; D291-T411 VanDerWaalsContact O-N 3.16Å; V292-T411 CarbonylContact C-O 3.59Å; V292-T411 VanDerWaalsContact CA-O 3.23Å; V292-T411 WeakPolarHBondContact CA-O 3.45Å; V292-T411 HydrophobicContact CG2-CG2 4.38Å; V292-T411 WeakPolarHBondContact CG2-O 3.44Å; I293-T411 PolarHBondContact N-O 2.89Å; K306-T411 VanDerWaalsContact CE-CB 3.45Å; K306-T411 WeakPolarHBondContact CE-OG1 3.32Å; K306-T411 PolarHBondContact NZ-OG1 3.23Å; F320-T411 HydrophobicContact CD1-CG2 4.47Å; F320-T411 HydrophobicContact CE1-CG2 4.43Å; I394-T411 HydrophobicContact CD1-CG2 3.68Å; I394-T411 HydrophobicContact CG1-CG2 3.68Å; Q395-T411 CarbonylContact O-C 3.55Å; Q395-T411 WeakPolarHBondContact O-CA 3.13Å; T411-V413 HydrophobicContact CG2-CG2 4.12Å
412	V	94.2	Very high	88.3	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.6	177.5	-175.3	0	0	0	0	108.3	I293 V295 I394 Q395 E397 V399 M410	I293-V412 HydrophobicContact CB-CG2 4.35Å; I293-V412 HydrophobicContact CD1-CG2 4.36Å; I293-V412 WeakPolarHBondContact O-CA 3.49Å; V295-V412 HydrophobicContact CG2-CG1 3.6Å; I394-V412 WeakPolarHBondContact CA-O 3.46Å; Q395-V412 HydrophobicContact CG-CB 4.2Å; Q395-V412 PolarHBondContact N-O 3.35Å; Q395-V412 PolarHBondContact O-N 3.04Å; E397-V412 HydrophobicContact CB-CG2 3.77Å; E397-V412 HydrophobicContact CG-CB 4.3Å; E397-V412 HydrophobicContact CG-CG2 3.84Å; V399-V412 HydrophobicContact CG2-CG2 4.39Å; M410-V412 PolarHBondContact O-N 2.68Å
413	V	94.8	Very high	89	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	120	177.8	-175.7	0	0	0	0	108.5	V292 I293 L294 V295 L319 F320 F391 S393 I394 T411 M415	V292-V413 HydrophobicContact CG2-CG2 4Å; I293-V413 PolarHBondContact O-N 3.43Å; L294-V413 HydrophobicContact CD2-CB 3.89Å; L294-V413 HydrophobicContact CD2-CG1 4.47Å; L294-V413 HydrophobicContact CD2-CG2 4.25Å; V295-V413 PolarHBondContact N-O 3.04Å; L319-V413 HydrophobicContact CD2-CG1 4.09Å; L319-V413 HydrophobicContact CD2-CG2 4.23Å; F320-V413 HydrophobicContact CE1-CG2 4Å; F391-V413 HydrophobicContact CD1-CG1 3.56Å; F391-V413 HydrophobicContact CE1-CG1 4.13Å; F391-V413 HydrophobicContact CG-CG1 4.43Å; S393-V413 WeakPolarHBondContact O-CA 3.41Å; I394-V413 HydrophobicContact CD1-CG2 4.19Å; I394-V413 HydrophobicContact CG1-CG2 4.16Å; T411-V413 HydrophobicContact CG2-CG2 4.12Å; V413-M415 HydrophobicContact CG1-SD 3.96Å
414	H	93.8	Very high	89.7	Confident	53 Å²	53	50.7 Å²	50.7	25%	0.245	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.8	172.1	-70.8	-96	0	0	0	109.3	V392 S393 Q395	V392-H414 HydrophobicContact CB-CB 4.13Å; V392-H414 PolarHBondContact N-O 3.24Å; S393-H414 PolarHBondContact O-N 3.3Å; S393-H414 PolarHBondContact OG-CD2 3.36Å; S393-H414 VanDerWaalsContact OG-CD2 3.3Å; Q395-H414 PolarHBondContact NE2-NE2 3.01Å
415	M	94.2	Very high	90.4	Very high	7 Å²	7	53.4 Å²	53.4	3%	0.034	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	152.8	179.5	-53.8	-58.9	-63.8	0	0	110.3	L294 V295 L296 F391 V413 I419 F424 L453	L294-M415 HydrophobicContact CB-CG 4.37Å; L294-M415 HydrophobicContact CB-SD 4.47Å; L294-M415 HydrophobicContact CD2-SD 4.14Å; V295-M415 PolarHBondContact O-N 3.02Å; L296-M415 HydrophobicContact CD1-CG 4.28Å; L296-M415 HydrophobicContact CG-CB 4.21Å; L296-M415 HydrophobicContact CG-CG 4.12Å; F391-M415 HydrophobicContact CD1-CE 3.95Å; F391-M415 HydrophobicContact CD1-SD 3.78Å; F391-M415 HydrophobicContact CE1-CE 3.68Å; F391-M415 HydrophobicContact CE1-SD 3.83Å; V413-M415 HydrophobicContact CG1-SD 3.96Å; M415-I419 HydrophobicContact CB-CD1 4.22Å; M415-I419 HydrophobicContact CE-CD1 3.57Å; M415-F424 HydrophobicContact CE-CE1 4.39Å; M415-F424 HydrophobicContact CE-CE2 3.95Å; M415-F424 HydrophobicContact CE-CZ 3.62Å; M415-F424 HydrophobicContact SD-CZ 4.33Å; M415-L453 HydrophobicContact CE-CD2 4.33Å
416	D	92.9	Very high	91.1	Very high	54 Å²	54	45 Å²	45	29%	0.289	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-61.2	148.4	174.7	-176.2	-98.1	0	0	0	112.2	R389 A390 V392 S418 I419	R389-D416 WeakPolarHBondContact O-CB 3.32Å; A390-D416 PolarHBondContact O-N 3.02Å; V392-D416 HydrophobicContact CG2-CB 4.43Å; D416-S418 PolarHBondContact O-N 3.34Å; D416-S418 VanDerWaalsContact O-N 3.15Å; D416-S418 WeakPolarHBondContact OD1-CB 3.37Å; D416-S418 PolarHBondContact OD1-N 3.09Å; D416-S418 PolarHBondContact OD1-OG 3.08Å; D416-I419 WeakPolarHBondContact O-CB 3.39Å; D416-I419 PolarHBondContact O-N 3.01Å
417	L	89.9	Confident	91.8	Very high	114 Å²	114	42.2 Å²	42.2	60%	0.597	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.4	-176.7	-68.8	173.2	0	0	0	113.5	I419	L417-I419 PolarHBondContact O-N 3.35Å
418	S	90.1	Very high	92.3	Very high	53 Å²	53	38.1 Å²	38.1	37%	0.371	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.3	175.4	62.6	0	0	0	0	113.9	D416 Q420	D416-S418 PolarHBondContact O-N 3.34Å; D416-S418 VanDerWaalsContact O-N 3.15Å; D416-S418 WeakPolarHBondContact OD1-CB 3.37Å; D416-S418 PolarHBondContact OD1-N 3.09Å; D416-S418 PolarHBondContact OD1-OG 3.08Å; S418-Q420 PolarHBondContact O-N 3.35Å
419	I	92.4	Very high	92.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.			trans	-82.4	114.7	-176.8	-60.1	178.9	0	0	0	109.8	L296 A390 M415 D416 L417 F424 I449 L452	L296-I419 HydrophobicContact CD2-CG2 3.79Å; A390-I419 HydrophobicContact CB-CD1 4.16Å; M415-I419 HydrophobicContact CB-CD1 4.22Å; M415-I419 HydrophobicContact CE-CD1 3.57Å; D416-I419 WeakPolarHBondContact O-CB 3.39Å; D416-I419 PolarHBondContact O-N 3.01Å; L417-I419 PolarHBondContact O-N 3.35Å; I419-F424 HydrophobicContact CG2-CB 3.74Å; I419-F424 HydrophobicContact CG2-CD1 4.26Å; I419-F424 HydrophobicContact CG2-CD2 3.81Å; I419-F424 HydrophobicContact CG2-CE2 4.44Å; I419-F424 HydrophobicContact CG2-CG 3.68Å; I419-I449 HydrophobicContact CG2-CD1 4.16Å; I419-I449 HydrophobicContact CG2-CG1 4.49Å; I419-I449 HydrophobicContact CG2-CG2 4.46Å; I419-L452 HydrophobicContact CG1-CD1 4.46Å
420	Q	90.9	Very high	93.2	Very high	87 Å²	87	32.6 Å²	32.6	41%	0.407	17%	0.168	S	C	.	.			trans	-91.4	145.3	179.1	-64.2	-177.7	-9.4	0	0	111.9	S418 G422 P423 F424	S418-Q420 PolarHBondContact O-N 3.35Å; Q420-G422 PolarHBondContact O-N 2.92Å; Q420-P423 HydrophobicContact CB-CG 4.27Å; Q420-F424 WeakPolarHBondContact O-CB 3.45Å; Q420-F424 PolarHBondContact O-N 3.47Å
421	L	90.7	Very high	93.4	Very high	46 Å²	46	32.5 Å²	32.5	24%	0.241	17%	0.168	C	C	.	.	H	α-helix	trans	-60	-50	-173.8	-178	68.1	0	0	0	114.4	I302 F424 R425	I302-L421 HydrophobicContact CD1-CD1 3.62Å; I302-L421 HydrophobicContact CG1-CD1 3.97Å; L421-F424 PolarHBondContact O-N 3.25Å; L421-R425 HydrophobicContact CD1-CG 4.37Å; L421-R425 WeakPolarHBondContact O-CG 3.49Å; L421-R425 PolarHBondContact O-N 3.21Å
422	G	91.6	Very high	93.3	Very high	41 Å²	41	32.1 Å²	32.1	42%	0.423	17%	0.165	S	C	.	.	H	α-helix	trans	-59	-60.2	-176.1	0	0	0	0	0	112	Q420 F424 R425 A426	Q420-G422 PolarHBondContact O-N 2.92Å; G422-F424 VanDerWaalsContact C-N 3.28Å; G422-F424 PolarHBondContact O-N 3.29Å; G422-R425 PolarHBondContact O-N 3.24Å; G422-R425 VanDerWaalsContact O-N 3.15Å; G422-A426 PolarHBondContact O-N 3.11Å
423	P	94.4	Very high	93.1	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.019	17%	0.172	C	C	.	.	H	α-helix	trans	-59.2	-37.2	177.2	-26.7	37.1	0	0	0	112.7	Q420 R425 A426 V427 E442 Q445 I446 I449	Q420-P423 HydrophobicContact CB-CG 4.27Å; P423-R425 PolarHBondContact O-N 3.2Å; P423-A426 WeakPolarHBondContact O-CB 3.39Å; P423-A426 PolarHBondContact O-N 3.49Å; P423-V427 WeakPolarHBondContact O-CG2 3.09Å; P423-V427 PolarHBondContact O-N 3.19Å; P423-V427 VanDerWaalsContact O-N 3.07Å; P423-E442 VanDerWaalsContact CD-OE2 3.28Å; P423-E442 WeakPolarHBondContact CD-OE2 3.46Å; P423-E442 HydrophobicContact CG-CB 3.85Å; P423-E442 HydrophobicContact CG-CG 4.42Å; P423-E442 WeakPolarHBondContact CG-OE2 3.24Å; P423-Q445 HydrophobicContact CB-CB 3.83Å; P423-Q445 HydrophobicContact CG-CB 3.63Å; P423-Q445 HydrophobicContact CG-CG 4.4Å; P423-I446 HydrophobicContact CB-CG1 3.96Å; P423-I449 HydrophobicContact CB-CD1 3.65Å
424	F	95.3	Very high	93	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.2	-35.6	178	-172.5	-125.8	0	0	0	113.1	L294 L296 I302 M415 I419 Q420 L421 G422 A426 V427 L428 I449 L453	L294-F424 HydrophobicContact CB-CE1 4.25Å; L294-F424 HydrophobicContact CD1-CE1 3.74Å; L294-F424 HydrophobicContact CD1-CZ 3.76Å; L296-F424 HydrophobicContact CD1-CD1 3.93Å; L296-F424 HydrophobicContact CD1-CE1 3.98Å; L296-F424 HydrophobicContact CD2-CB 4.16Å; L296-F424 HydrophobicContact CD2-CD1 3.61Å; L296-F424 HydrophobicContact CD2-CE1 4.32Å; L296-F424 HydrophobicContact CD2-CG 4.15Å; L296-F424 HydrophobicContact CG-CD1 4.28Å; I302-F424 HydrophobicContact CD1-CD1 3.7Å; I302-F424 HydrophobicContact CD1-CE1 4.04Å; M415-F424 HydrophobicContact CE-CE1 4.39Å; M415-F424 HydrophobicContact CE-CE2 3.95Å; M415-F424 HydrophobicContact CE-CZ 3.62Å; M415-F424 HydrophobicContact SD-CZ 4.33Å; I419-F424 HydrophobicContact CG2-CB 3.74Å; I419-F424 HydrophobicContact CG2-CD1 4.26Å; I419-F424 HydrophobicContact CG2-CD2 3.81Å; I419-F424 HydrophobicContact CG2-CE2 4.44Å; I419-F424 HydrophobicContact CG2-CG 3.68Å; Q420-F424 WeakPolarHBondContact O-CB 3.45Å; Q420-F424 PolarHBondContact O-N 3.47Å; L421-F424 PolarHBondContact O-N 3.25Å; G422-F424 VanDerWaalsContact C-N 3.28Å; G422-F424 PolarHBondContact O-N 3.29Å; F424-A426 VanDerWaalsContact C-N 3.3Å; F424-A426 PolarHBondContact O-N 3.5Å; F424-V427 HydrophobicContact CD2-CB 4.41Å; F424-V427 WeakPolarHBondContact O-CB 3.43Å; F424-V427 PolarHBondContact O-N 3.23Å; F424-L428 HydrophobicContact CD1-CD1 3.95Å; F424-L428 HydrophobicContact CD1-CG 4.33Å; F424-L428 HydrophobicContact CE1-CD1 3.75Å; F424-L428 HydrophobicContact CE1-CD2 4.32Å; F424-L428 HydrophobicContact CE1-CG 4.11Å; F424-L428 HydrophobicContact CE2-CD2 4.3Å; F424-L428 HydrophobicContact CE2-CG 4.32Å; F424-L428 HydrophobicContact CZ-CD1 4.23Å; F424-L428 HydrophobicContact CZ-CD2 3.96Å; F424-L428 HydrophobicContact CZ-CG 4.13Å; F424-L428 WeakPolarHBondContact O-CG 3.31Å; F424-L428 PolarHBondContact O-N 2.88Å; F424-I449 HydrophobicContact CB-CD1 4.26Å; F424-I449 HydrophobicContact CD2-CG2 3.9Å; F424-L453 HydrophobicContact CD2-CD1 4.36Å; F424-L453 HydrophobicContact CE2-CD1 3.8Å
425	R	93.5	Very high	92.8	Very high	107 Å²	107	36.1 Å²	36.1	40%	0.404	19%	0.186	S	C	.	.	H	α-helix	trans	-61.8	-38.5	172.5	-80.2	-177.8	169	-178.1	-6.3	112	I302 L421 G422 P423 L428 R429	I302-R425 HydrophobicContact CD1-CG 4.35Å; L421-R425 HydrophobicContact CD1-CG 4.37Å; L421-R425 WeakPolarHBondContact O-CG 3.49Å; L421-R425 PolarHBondContact O-N 3.21Å; G422-R425 PolarHBondContact O-N 3.24Å; G422-R425 VanDerWaalsContact O-N 3.15Å; P423-R425 PolarHBondContact O-N 3.2Å; R425-L428 PolarHBondContact O-N 3.24Å; R425-R429 WeakPolarHBondContact O-CG 3.39Å; R425-R429 PolarHBondContact O-N 3.08Å
426	A	94.2	Very high	92.7	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.033	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-41.7	173.7	0	0	0	0	0	111.7	G422 P423 F424 L428 R429 Y430 I446	G422-A426 PolarHBondContact O-N 3.11Å; P423-A426 WeakPolarHBondContact O-CB 3.39Å; P423-A426 PolarHBondContact O-N 3.49Å; F424-A426 VanDerWaalsContact C-N 3.3Å; F424-A426 PolarHBondContact O-N 3.5Å; A426-L428 PolarHBondContact O-N 3.46Å; A426-R429 PolarHBondContact O-N 3.24Å; A426-Y430 PolarHBondContact O-N 3.24Å; A426-I446 HydrophobicContact CB-CD1 3.61Å; A426-I446 HydrophobicContact CB-CG1 4.07Å
427	V	95.9	Very high	92.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.4	-44.6	173.2	176.2	0	0	0	0	111.3	P423 F424 Y430 L431 I446 I449 L453 L458	P423-V427 WeakPolarHBondContact O-CG2 3.09Å; P423-V427 PolarHBondContact O-N 3.19Å; P423-V427 VanDerWaalsContact O-N 3.07Å; F424-V427 HydrophobicContact CD2-CB 4.41Å; F424-V427 WeakPolarHBondContact O-CB 3.43Å; F424-V427 PolarHBondContact O-N 3.23Å; V427-Y430 WeakPolarHBondContact O-CB 3.28Å; V427-Y430 PolarHBondContact O-N 3.4Å; V427-L431 HydrophobicContact CG1-CD1 4.48Å; V427-L431 WeakPolarHBondContact O-CG 3.27Å; V427-L431 PolarHBondContact O-N 2.93Å; V427-I446 HydrophobicContact CG2-CG2 3.96Å; V427-I449 HydrophobicContact CG2-CB 4.15Å; V427-I449 HydrophobicContact CG2-CG2 3.89Å; V427-L453 HydrophobicContact CG1-CD1 3.97Å; V427-L458 HydrophobicContact CB-CD2 4.11Å; V427-L458 HydrophobicContact CG1-CD2 3.98Å; V427-L458 HydrophobicContact CG2-CD2 3.82Å
428	L	94.9	Very high	92.4	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-64.1	-44.4	177.3	-69.5	175.3	0	0	0	111.8	L284 L294 I302 L309 F424 R425 A426 Y430 L431 Y432	L284-L428 HydrophobicContact CD1-CB 4.12Å; L284-L428 HydrophobicContact CD2-CB 4.34Å; L294-L428 HydrophobicContact CD1-CD1 4.13Å; L294-L428 HydrophobicContact CD1-CD2 3.87Å; I302-L428 HydrophobicContact CD1-CD1 3.88Å; I302-L428 HydrophobicContact CG2-CD1 3.81Å; L309-L428 HydrophobicContact CD2-CD2 3.65Å; F424-L428 HydrophobicContact CD1-CD1 3.95Å; F424-L428 HydrophobicContact CD1-CG 4.33Å; F424-L428 HydrophobicContact CE1-CD1 3.75Å; F424-L428 HydrophobicContact CE1-CD2 4.32Å; F424-L428 HydrophobicContact CE1-CG 4.11Å; F424-L428 HydrophobicContact CE2-CD2 4.3Å; F424-L428 HydrophobicContact CE2-CG 4.32Å; F424-L428 HydrophobicContact CZ-CD1 4.23Å; F424-L428 HydrophobicContact CZ-CD2 3.96Å; F424-L428 HydrophobicContact CZ-CG 4.13Å; F424-L428 WeakPolarHBondContact O-CG 3.31Å; F424-L428 PolarHBondContact O-N 2.88Å; R425-L428 PolarHBondContact O-N 3.24Å; A426-L428 PolarHBondContact O-N 3.46Å; L428-Y430 VanDerWaalsContact C-N 3.29Å; L428-Y430 PolarHBondContact O-N 3.44Å; L428-L431 HydrophobicContact CD2-CD1 4.5Å; L428-L431 PolarHBondContact O-N 3.3Å; L428-Y432 VanDerWaalsContact O-CD2 3.26Å; L428-Y432 WeakPolarHBondContact O-CD2 3.49Å; L428-Y432 PolarHBondContact O-N 2.86Å; L428-Y432 VanDerWaalsContact O-N 3.07Å
429	R	93.5	Very high	92.4	Very high	100 Å²	100	42.6 Å²	42.6	38%	0.377	21%	0.213	S	C	.	.	H	α-helix	trans	-56.1	-46.1	174.5	-75.9	176.4	-176.1	163.5	-0.7	110.8	L284 E285 R425 A426 L431 Y432 T433	L284-R429 HydrophobicContact CD1-CB 4.49Å; L284-R429 HydrophobicContact CD1-CG 3.91Å; E285-R429 IonicContact OE1-CZ 3.62Å; E285-R429 IonicContact OE1-NE 2.74Å; E285-R429 IonicContact OE1-NH2 2.61Å; E285-R429 PolarHBondContact OE1-NH2 3.45Å; R425-R429 WeakPolarHBondContact O-CG 3.39Å; R425-R429 PolarHBondContact O-N 3.08Å; A426-R429 PolarHBondContact O-N 3.24Å; R429-L431 VanDerWaalsContact C-N 3.34Å; R429-L431 PolarHBondContact O-N 3.04Å; R429-Y432 PolarHBondContact O-N 3.27Å; R429-T433 PolarHBondContact O-N 3.37Å; R429-T433 PolarHBondContact O-OG1 2.83Å
430	Y	94.8	Very high	92.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.1	-44.1	173.8	173.2	-95.5	0	0	0	112.7	A426 V427 L428 Y432 T433 G434 Q435 V455 D457 L458 M461 F480	A426-Y430 PolarHBondContact O-N 3.24Å; V427-Y430 WeakPolarHBondContact O-CB 3.28Å; V427-Y430 PolarHBondContact O-N 3.4Å; L428-Y430 VanDerWaalsContact C-N 3.29Å; L428-Y430 PolarHBondContact O-N 3.44Å; Y430-Y432 PolarHBondContact O-N 3.21Å; Y430-T433 PolarHBondContact O-N 3.03Å; Y430-G434 WeakPolarHBondContact CE2-O 3.37Å; Y430-G434 VanDerWaalsContact O-CA 3.3Å; Y430-G434 WeakPolarHBondContact O-CA 3.49Å; Y430-G434 PolarHBondContact O-N 3.45Å; Y430-Q435 WeakPolarHBondContact CA-O 3.34Å; Y430-V455 HydrophobicContact CD1-CG1 4.12Å; Y430-V455 HydrophobicContact CE1-CG1 3.69Å; Y430-D457 WeakPolarHBondContact OH-CB 3.5Å; Y430-L458 HydrophobicContact CD1-CB 3.79Å; Y430-L458 HydrophobicContact CD1-CD1 4.1Å; Y430-L458 HydrophobicContact CD1-CD2 3.8Å; Y430-L458 HydrophobicContact CD1-CG 4.11Å; Y430-L458 HydrophobicContact CD2-CD1 3.8Å; Y430-L458 HydrophobicContact CE1-CB 3.67Å; Y430-L458 HydrophobicContact CE1-CG 4.46Å; Y430-L458 HydrophobicContact CE2-CD1 4.27Å; Y430-L458 HydrophobicContact CG-CB 4.27Å; Y430-L458 HydrophobicContact CG-CD1 3.69Å; Y430-L458 HydrophobicContact CG-CD2 3.98Å; Y430-L458 HydrophobicContact CG-CG 4.2Å; Y430-M461 HydrophobicContact CD2-SD 4.29Å; Y430-M461 HydrophobicContact CE2-CE 4.16Å; Y430-M461 HydrophobicContact CE2-SD 3.41Å; Y430-M461 WeakPolarHBondContact CE2-SD 3.36Å; Y430-F480 HydrophobicContact CE1-CD2 4.24Å; Y430-F480 AromaticContact CE1-CE2 3.99Å; Y430-F480 HydrophobicContact CE1-CE2 3.99Å
431	L	94.9	Very high	92.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.2	-26.7	177.2	-66.2	176.5	0	0	0	112.6	L309 S312 F316 V427 L428 R429 V455	L309-L431 HydrophobicContact CD2-CB 4.34Å; L309-L431 HydrophobicContact CD2-CD1 3.78Å; S312-L431 VanDerWaalsContact CB-O 3.23Å; S312-L431 WeakPolarHBondContact CB-O 3.42Å; S312-L431 PolarHBondContact OG-O 2.75Å; F316-L431 HydrophobicContact CD2-CD1 4.14Å; F316-L431 HydrophobicContact CE2-CD1 3.9Å; V427-L431 HydrophobicContact CG1-CD1 4.48Å; V427-L431 WeakPolarHBondContact O-CG 3.27Å; V427-L431 PolarHBondContact O-N 2.93Å; L428-L431 HydrophobicContact CD2-CD1 4.5Å; L428-L431 PolarHBondContact O-N 3.3Å; R429-L431 VanDerWaalsContact C-N 3.34Å; R429-L431 PolarHBondContact O-N 3.04Å; L431-V455 HydrophobicContact CD2-CG1 4.12Å; L431-V455 HydrophobicContact CD2-CG2 4.14Å
432	Y	92.5	Very high	92.5	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-86.8	-35.1	177.5	-83.4	-113.6	0	0	0	113.5	P280 L283 L284 H305 Y308 L309 L428 R429 Y430 R484	P280-Y432 WeakPolarHBondContact O-CD1 3.19Å; L283-Y432 HydrophobicContact CB-CE1 4.29Å; L284-Y432 HydrophobicContact CD1-CD2 3.92Å; L284-Y432 HydrophobicContact CD1-CE2 4.24Å; L284-Y432 HydrophobicContact CD1-CG 4.07Å; L284-Y432 HydrophobicContact CD2-CD2 4.07Å; L284-Y432 HydrophobicContact CD2-CE1 4.27Å; L284-Y432 HydrophobicContact CD2-CE2 3.53Å; L284-Y432 HydrophobicContact CG-CD1 4.28Å; L284-Y432 HydrophobicContact CG-CD2 4.09Å; L284-Y432 HydrophobicContact CG-CE1 4.18Å; L284-Y432 HydrophobicContact CG-CE2 3.99Å; L284-Y432 HydrophobicContact CG-CG 4.19Å; H305-Y432 PolarHBondContact N-OH 3.38Å; H305-Y432 AromaticContact ND1-CE1 3.67Å; H305-Y432 AromaticContact ND1-CZ 3.7Å; H305-Y432 PolarHBondContact ND1-OH 3.39Å; Y308-Y432 AromaticContact CD1-CD1 3.44Å; Y308-Y432 HydrophobicContact CD1-CD1 3.44Å; Y308-Y432 VanDerWaalsContact CD1-CD1 3.44Å; Y308-Y432 AromaticContact CD1-CE1 3.89Å; Y308-Y432 HydrophobicContact CD1-CE1 3.89Å; Y308-Y432 AromaticContact CD1-CG 3.86Å; Y308-Y432 HydrophobicContact CD1-CG 3.86Å; Y308-Y432 HydrophobicContact CD2-CD1 4.08Å; Y308-Y432 AromaticContact CD2-CE1 3.7Å; Y308-Y432 HydrophobicContact CD2-CE1 3.7Å; Y308-Y432 AromaticContact CE1-CD1 3.81Å; Y308-Y432 HydrophobicContact CE1-CD1 3.81Å; Y308-Y432 HydrophobicContact CE1-CE1 4.4Å; Y308-Y432 HydrophobicContact CE1-CG 4.46Å; Y308-Y432 HydrophobicContact CE2-CD1 4.42Å; Y308-Y432 HydrophobicContact CE2-CE1 4.26Å; Y308-Y432 AromaticContact CG-CD1 3.59Å; Y308-Y432 HydrophobicContact CG-CD1 3.59Å; Y308-Y432 AromaticContact CG-CE1 3.5Å; Y308-Y432 HydrophobicContact CG-CE1 3.5Å; Y308-Y432 VanDerWaalsContact CG-CE1 3.5Å; Y308-Y432 HydrophobicContact CG-CE2 4.47Å; Y308-Y432 HydrophobicContact CG-CG 4.18Å; L309-Y432 HydrophobicContact CD2-CE2 4.07Å; L428-Y432 VanDerWaalsContact O-CD2 3.26Å; L428-Y432 WeakPolarHBondContact O-CD2 3.49Å; L428-Y432 PolarHBondContact O-N 2.86Å; L428-Y432 VanDerWaalsContact O-N 3.07Å; R429-Y432 PolarHBondContact O-N 3.27Å; Y430-Y432 PolarHBondContact O-N 3.21Å; Y432-R484 PolarHBondContact O-NH1 2.85Å
433	T	90.2	Very high	92.6	Very high	27 Å²	27	50.9 Å²	50.9	17%	0.166	24%	0.237	C	C	.	.	H	α-helix	trans	-110	-22.6	-170.7	65	0	0	0	0	114.1	A281 R429 Y430 Q435 H481	A281-T433 HydrophobicContact CB-CG2 3.76Å; R429-T433 PolarHBondContact O-N 3.37Å; R429-T433 PolarHBondContact O-OG1 2.83Å; Y430-T433 PolarHBondContact O-N 3.03Å; T433-Q435 PolarHBondContact O-N 2.87Å; T433-Q435 PolarHBondContact OG1-N 3.03Å; T433-Q435 VanDerWaalsContact OG1-N 3.14Å; T433-Q435 PolarHBondContact OG1-O 2.78Å; T433-H481 PolarHBondContact O-CE1 3.43Å; T433-H481 PolarHBondContact O-NE2 3.27Å
434	G	91.7	Very high	92.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	72.6	8.1	-169.6	0	0	0	0	0	114.3	Y430 T477 F480	Y430-G434 WeakPolarHBondContact CE2-O 3.37Å; Y430-G434 VanDerWaalsContact O-CA 3.3Å; Y430-G434 WeakPolarHBondContact O-CA 3.49Å; Y430-G434 PolarHBondContact O-N 3.45Å; G434-T477 PolarHBondContact O-OG1 3.27Å; G434-F480 VanDerWaalsContact CA-CD1 3.47Å
435	Q	90.4	Very high	92.7	Very high	114 Å²	114	60.6 Å²	60.6	53%	0.533	28%	0.284	S	S	.	.			trans	-118	147.1	-176.9	-62.1	-174.5	-3.9	0	0	111.2	Y430 T433	Y430-Q435 WeakPolarHBondContact CA-O 3.34Å; T433-Q435 PolarHBondContact O-N 2.87Å; T433-Q435 PolarHBondContact OG1-N 3.03Å; T433-Q435 VanDerWaalsContact OG1-N 3.14Å; T433-Q435 PolarHBondContact OG1-O 2.78Å
436	L	92.7	Very high	92.8	Very high	21 Å²	21	55.5 Å²	55.5	11%	0.11	26%	0.264	C	S	.	.			trans	-126.4	129.1	173.2	176.1	67	0	0	0	107.6	E440 L443 I446 L458 M461 V462 I465	L436-E440 HydrophobicContact CD1-CG 4.07Å; L436-L443 HydrophobicContact CD2-CD2 4.17Å; L436-I446 HydrophobicContact CD1-CD1 4.34Å; L436-L458 HydrophobicContact CB-CD1 4.18Å; L436-L458 HydrophobicContact CD1-CD1 4.19Å; L436-L458 HydrophobicContact CD2-CD1 3.76Å; L436-L458 HydrophobicContact CG-CD1 4.27Å; L436-M461 HydrophobicContact CB-CE 4.04Å; L436-M461 HydrophobicContact CD2-CB 4.48Å; L436-V462 HydrophobicContact CD2-CG2 3.59Å; L436-I465 HydrophobicContact CD2-CD1 3.56Å; L436-I465 HydrophobicContact CG-CD1 4.09Å
437	D	88.5	Confident	92.9	Very high	88 Å²	88	56.2 Å²	56.2	47%	0.471	27%	0.27	S	S	.	.			trans	-70.6	128.3	175.3	179.7	2	0	0	0	109.8	N439 E440	D437-N439 PolarHBondContact O-N 2.97Å; D437-N439 WeakPolarHBondContact OD1-CB 3.17Å; D437-N439 PolarHBondContact OD1-N 2.75Å; D437-N439 PolarHBondContact OD1-ND2 3.35Å; D437-E440 HydrophobicContact CB-CG 4.15Å; D437-E440 WeakPolarHBondContact O-CB 3.37Å; D437-E440 WeakPolarHBondContact O-CG 3.49Å; D437-E440 PolarHBondContact O-N 3.36Å
438	E	88.3	Confident	92.9	Very high	118 Å²	118	60.2 Å²	60.2	55%	0.551	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.7	179.2	-62.1	-177.3	-175.5	0	0	112.3	I465 A470	E438-I465 HydrophobicContact CG-CD1 4.47Å; E438-I465 HydrophobicContact CG-CG1 4.41Å; E438-A470 HydrophobicContact CG-CB 4.38Å; E438-A470 WeakPolarHBondContact OE1-CB 3.34Å
439	N	89.2	Confident	93	Very high	136 Å²	136	60.3 Å²	60.3	73%	0.727	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	8.4	-179.5	-54.5	-71.5	0	0	0	113.8	D437 K441	D437-N439 PolarHBondContact O-N 2.97Å; D437-N439 WeakPolarHBondContact OD1-CB 3.17Å; D437-N439 PolarHBondContact OD1-N 2.75Å; D437-N439 PolarHBondContact OD1-ND2 3.35Å; N439-K441 PolarHBondContact O-N 2.94Å
440	E	91.8	Very high	93.1	Very high	53 Å²	53	55.5 Å²	55.5	25%	0.248	27%	0.271	C	S	.	.			trans	-58.7	131.5	176.6	-81.1	-66.2	179.2	0	0	111.4	L436 D437 L443 I446	L436-E440 HydrophobicContact CD1-CG 4.07Å; D437-E440 HydrophobicContact CB-CG 4.15Å; D437-E440 WeakPolarHBondContact O-CB 3.37Å; D437-E440 WeakPolarHBondContact O-CG 3.49Å; D437-E440 PolarHBondContact O-N 3.36Å; E440-L443 HydrophobicContact CB-CD2 4.05Å; E440-L443 HydrophobicContact CB-CG 4.46Å; E440-L443 WeakPolarHBondContact O-CG 3.28Å; E440-I446 HydrophobicContact CB-CD1 3.93Å; E440-I446 HydrophobicContact CG-CD1 4.15Å
441	K	89.3	Confident	93.2	Very high	202 Å²	202	60.8 Å²	60.8	88%	0.878	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-27.6	-170.6	-64.9	180	-177.6	175.7	0	113.3	N439	N439-K441 PolarHBondContact O-N 2.94Å
442	E	94.1	Very high	93.1	Very high	75 Å²	75	61.6 Å²	61.6	35%	0.35	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	41.9	-168.2	-61.5	-175	108.1	0	0	111.9	P423 M444 Q445 I446	P423-E442 VanDerWaalsContact CD-OE2 3.28Å; P423-E442 WeakPolarHBondContact CD-OE2 3.46Å; P423-E442 HydrophobicContact CG-CB 3.85Å; P423-E442 HydrophobicContact CG-CG 4.42Å; P423-E442 WeakPolarHBondContact CG-OE2 3.24Å; E442-M444 VanDerWaalsContact C-N 3.29Å; E442-M444 PolarHBondContact O-N 2.92Å; E442-Q445 HydrophobicContact CB-CB 4.3Å; E442-Q445 PolarHBondContact O-N 3.43Å; E442-Q445 VanDerWaalsContact O-N 3.08Å; E442-Q445 PolarHBondContact O-OE1 3.43Å; E442-I446 WeakPolarHBondContact O-CG1 3.31Å; E442-I446 PolarHBondContact O-N 2.96Å
443	L	95.2	Very high	93.2	Very high	19 Å²	19	61.6 Å²	61.6	10%	0.099	30%	0.3	C	S	.	.	H	α-helix	trans	-51	-43.7	-176.8	-74.9	172.9	0	0	0	113.3	L436 E440 Q445 I446 A447 V462 I465 L466	L436-L443 HydrophobicContact CD2-CD2 4.17Å; E440-L443 HydrophobicContact CB-CD2 4.05Å; E440-L443 HydrophobicContact CB-CG 4.46Å; E440-L443 WeakPolarHBondContact O-CG 3.28Å; L443-Q445 VanDerWaalsContact C-N 3.34Å; L443-Q445 PolarHBondContact O-N 3.45Å; L443-I446 WeakPolarHBondContact O-CB 3.43Å; L443-I446 PolarHBondContact O-N 3.3Å; L443-A447 PolarHBondContact O-N 2.86Å; L443-V462 HydrophobicContact CB-CG1 3.91Å; L443-V462 HydrophobicContact CD2-CG1 4.28Å; L443-V462 HydrophobicContact CD2-CG2 4.23Å; L443-V462 WeakPolarHBondContact O-CG1 3.38Å; L443-I465 HydrophobicContact CD1-CB 4.41Å; L443-I465 HydrophobicContact CD1-CG2 3.62Å; L443-I465 HydrophobicContact CD2-CD1 4.4Å; L443-L466 HydrophobicContact CB-CD2 4.12Å; L443-L466 HydrophobicContact CB-CG 4.48Å; L443-L466 HydrophobicContact CD1-CD2 3.84Å; L443-L466 HydrophobicContact CD1-CG 4.31Å
444	M	95	Very high	93.5	Very high	124 Å²	124	64.8 Å²	64.8	61%	0.611	31%	0.313	S	S	*	.	H	α-helix	trans	-63.8	-39.2	-179.7	-67.9	-60.5	-68.1	0	0	112.5	E442 A447 H448 L466	E442-M444 VanDerWaalsContact C-N 3.29Å; E442-M444 PolarHBondContact O-N 2.92Å; M444-A447 PolarHBondContact O-N 2.91Å; M444-H448 PolarHBondContact O-N 3.41Å; M444-L466 HydrophobicContact SD-CD1 3.45Å; M444-L466 WeakPolarHBondContact SD-CD1 3.49Å
445	Q	95.6	Very high	93.6	Very high	83 Å²	83	65.2 Å²	65.2	39%	0.388	32%	0.315	S	S	.	.	H	α-helix	trans	-69.6	-38.2	175.4	-67.4	75.1	8.6	0	0	110.9	P423 E442 L443 H448 I449	P423-Q445 HydrophobicContact CB-CB 3.83Å; P423-Q445 HydrophobicContact CG-CB 3.63Å; P423-Q445 HydrophobicContact CG-CG 4.4Å; E442-Q445 HydrophobicContact CB-CB 4.3Å; E442-Q445 PolarHBondContact O-N 3.43Å; E442-Q445 VanDerWaalsContact O-N 3.08Å; E442-Q445 PolarHBondContact O-OE1 3.43Å; L443-Q445 VanDerWaalsContact C-N 3.34Å; L443-Q445 PolarHBondContact O-N 3.45Å; Q445-H448 PolarHBondContact O-N 2.97Å; Q445-I449 WeakPolarHBondContact O-CG1 3.4Å; Q445-I449 PolarHBondContact O-N 3.15Å
446	I	96.6	Very high	93.9	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.9	-46.6	173.4	-65.2	168.5	0	0	0	110.2	P423 A426 V427 L436 E440 E442 L443 H448 I449 A450 L458 V462	P423-I446 HydrophobicContact CB-CG1 3.96Å; A426-I446 HydrophobicContact CB-CD1 3.61Å; A426-I446 HydrophobicContact CB-CG1 4.07Å; V427-I446 HydrophobicContact CG2-CG2 3.96Å; L436-I446 HydrophobicContact CD1-CD1 4.34Å; E440-I446 HydrophobicContact CB-CD1 3.93Å; E440-I446 HydrophobicContact CG-CD1 4.15Å; E442-I446 WeakPolarHBondContact O-CG1 3.31Å; E442-I446 PolarHBondContact O-N 2.96Å; L443-I446 WeakPolarHBondContact O-CB 3.43Å; L443-I446 PolarHBondContact O-N 3.3Å; I446-H448 VanDerWaalsContact C-N 3.34Å; I446-H448 PolarHBondContact O-N 3.05Å; I446-I449 PolarHBondContact O-N 3.43Å; I446-A450 VanDerWaalsContact O-CB 3.29Å; I446-A450 WeakPolarHBondContact O-CB 3.37Å; I446-A450 PolarHBondContact O-N 2.91Å; I446-L458 HydrophobicContact CG2-CD1 4.29Å; I446-L458 HydrophobicContact CG2-CD2 4.03Å; I446-L458 HydrophobicContact CG2-CG 4.19Å; I446-V462 HydrophobicContact CB-CG2 4.39Å; I446-V462 HydrophobicContact CG2-CG2 3.91Å
447	A	96.3	Very high	94	Very high	18 Å²	18	65.9 Å²	65.9	15%	0.149	32%	0.318	C	S	.	.	H	α-helix	trans	-61.5	-41	176.7	0	0	0	0	0	112.5	L443 M444 A450 E451 R459 V462	L443-A447 PolarHBondContact O-N 2.86Å; M444-A447 PolarHBondContact O-N 2.91Å; A447-A450 PolarHBondContact O-N 2.69Å; A447-E451 PolarHBondContact O-N 2.91Å; A447-R459 HydrophobicContact CB-CG 4.44Å; A447-V462 HydrophobicContact CB-CB 4.16Å; A447-V462 HydrophobicContact CB-CG1 3.8Å; A447-V462 HydrophobicContact CB-CG2 4.47Å
448	H	96.2	Very high	94.3	Very high	84 Å²	84	61.7 Å²	61.7	39%	0.389	30%	0.295	S	S	.	.	H	α-helix	trans	-62.6	-46.2	176.9	-177.3	54.4	0	0	0	112	M444 Q445 I446 E451 L452	M444-H448 PolarHBondContact O-N 3.41Å; Q445-H448 PolarHBondContact O-N 2.97Å; I446-H448 VanDerWaalsContact C-N 3.34Å; I446-H448 PolarHBondContact O-N 3.05Å; H448-E451 WeakPolarHBondContact O-CB 3.48Å; H448-E451 PolarHBondContact O-N 3Å; H448-L452 WeakPolarHBondContact O-CG 3.34Å; H448-L452 PolarHBondContact O-N 3.43Å
449	I	96.3	Very high	94.7	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-66.3	-39.6	177.1	-64.5	168.8	0	0	0	110.9	I419 P423 F424 V427 Q445 I446 E451 L452 L453	I419-I449 HydrophobicContact CG2-CD1 4.16Å; I419-I449 HydrophobicContact CG2-CG1 4.49Å; I419-I449 HydrophobicContact CG2-CG2 4.46Å; P423-I449 HydrophobicContact CB-CD1 3.65Å; F424-I449 HydrophobicContact CB-CD1 4.26Å; F424-I449 HydrophobicContact CD2-CG2 3.9Å; V427-I449 HydrophobicContact CG2-CB 4.15Å; V427-I449 HydrophobicContact CG2-CG2 3.89Å; Q445-I449 WeakPolarHBondContact O-CG1 3.4Å; Q445-I449 PolarHBondContact O-N 3.15Å; I446-I449 PolarHBondContact O-N 3.43Å; I449-E451 VanDerWaalsContact C-N 3.27Å; I449-E451 PolarHBondContact O-N 3.49Å; I449-L452 PolarHBondContact O-N 3.37Å; I449-L453 HydrophobicContact CG2-CD1 3.69Å; I449-L453 HydrophobicContact CG2-CG 4.38Å; I449-L453 WeakPolarHBondContact O-CB 3.3Å; I449-L453 WeakPolarHBondContact O-CG 3.42Å; I449-L453 PolarHBondContact O-N 2.96Å
450	A	96.4	Very high	95	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-37.9	175.2	0	0	0	0	0	111.8	I446 A447 E454 V455 L458 R459	I446-A450 VanDerWaalsContact O-CB 3.29Å; I446-A450 WeakPolarHBondContact O-CB 3.37Å; I446-A450 PolarHBondContact O-N 2.91Å; A447-A450 PolarHBondContact O-N 2.69Å; A450-E454 PolarHBondContact O-N 2.85Å; A450-V455 HydrophobicContact CB-CB 4.37Å; A450-V455 PolarHBondContact O-N 3.21Å; A450-L458 HydrophobicContact CB-CB 4.08Å; A450-L458 HydrophobicContact CB-CD2 4Å; A450-L458 HydrophobicContact CB-CG 4.01Å; A450-R459 HydrophobicContact CB-CB 4.24Å
451	E	95.6	Very high	95.2	Very high	110 Å²	110	56.1 Å²	56.1	51%	0.514	26%	0.262	S	S	.	.	H	α-helix	trans	-65.5	-46.2	173.3	-174.8	178.2	-175.7	0	0	112	A447 H448 I449 L453 E454	A447-E451 PolarHBondContact O-N 2.91Å; H448-E451 WeakPolarHBondContact O-CB 3.48Å; H448-E451 PolarHBondContact O-N 3Å; I449-E451 VanDerWaalsContact C-N 3.27Å; I449-E451 PolarHBondContact O-N 3.49Å; E451-L453 PolarHBondContact O-N 3.35Å; E451-E454 PolarHBondContact O-N 3.38Å; E451-E454 VanDerWaalsContact O-N 3.08Å
452	L	94	Very high	95.6	Very high	18 Å²	18	46.6 Å²	46.6	9%	0.094	22%	0.22	C	C	.	.	H	α-helix	trans	-60.5	-34.1	177.3	-68.2	176.8	0	0	0	112.9	R389 A390 I419 H448 I449	R389-L452 HydrophobicContact CB-CD2 3.86Å; A390-L452 HydrophobicContact CB-CB 4.12Å; I419-L452 HydrophobicContact CG1-CD1 4.46Å; H448-L452 WeakPolarHBondContact O-CG 3.34Å; H448-L452 PolarHBondContact O-N 3.43Å; I449-L452 PolarHBondContact O-N 3.37Å
453	L	94.8	Very high	95.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	2.8	178.4	-65	169.9	0	0	0	113.6	K315 F316 A390 F391 M415 F424 V427 I449 E451 V455	K315-L453 WeakPolarHBondContact CB-O 3.47Å; F316-L453 HydrophobicContact CE2-CD1 4.35Å; F316-L453 HydrophobicContact CE2-CD2 4.08Å; F316-L453 HydrophobicContact CZ-CD2 4.11Å; A390-L453 HydrophobicContact CB-CD2 3.59Å; A390-L453 HydrophobicContact CB-CG 4.27Å; F391-L453 HydrophobicContact CE1-CD2 4.01Å; F391-L453 HydrophobicContact CE2-CD2 4.13Å; F391-L453 HydrophobicContact CZ-CD2 3.5Å; M415-L453 HydrophobicContact CE-CD2 4.33Å; F424-L453 HydrophobicContact CD2-CD1 4.36Å; F424-L453 HydrophobicContact CE2-CD1 3.8Å; V427-L453 HydrophobicContact CG1-CD1 3.97Å; I449-L453 HydrophobicContact CG2-CD1 3.69Å; I449-L453 HydrophobicContact CG2-CG 4.38Å; I449-L453 WeakPolarHBondContact O-CB 3.3Å; I449-L453 WeakPolarHBondContact O-CG 3.42Å; I449-L453 PolarHBondContact O-N 2.96Å; E451-L453 PolarHBondContact O-N 3.35Å; L453-V455 HydrophobicContact CB-CG2 3.87Å; L453-V455 PolarHBondContact O-N 3.05Å
454	E	95.2	Very high	95.7	Very high	94 Å²	94	44.4 Å²	44.4	44%	0.439	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	31.9	-178.4	-59.5	171.5	-151.2	0	0	113.7	K315 A450 E451 F456	K315-E454 WeakPolarHBondContact CE-OE1 3.42Å; K315-E454 IonicContact NZ-OE1 3.37Å; K315-E454 PolarHBondContact NZ-OE1 3.14Å; A450-E454 PolarHBondContact O-N 2.85Å; E451-E454 PolarHBondContact O-N 3.38Å; E451-E454 VanDerWaalsContact O-N 3.08Å; E454-F456 VanDerWaalsContact C-N 3.32Å; E454-F456 HydrophobicContact CB-CE2 4.03Å; E454-F456 HydrophobicContact CB-CZ 4.14Å; E454-F456 HydrophobicContact CG-CZ 4.38Å; E454-F456 WeakPolarHBondContact O-CD2 3.38Å; E454-F456 PolarHBondContact O-N 3.11Å; E454-F456 VanDerWaalsContact O-N 3.17Å
455	V	95.4	Very high	95.7	Very high	8 Å²	8	39.3 Å²	39.3	5%	0.048	19%	0.191	C	C	.	.			trans	-88.7	70.6	175.2	-169	0	0	0	0	109.1	Y430 L431 A450 L453 D457 L458 R459	Y430-V455 HydrophobicContact CD1-CG1 4.12Å; Y430-V455 HydrophobicContact CE1-CG1 3.69Å; L431-V455 HydrophobicContact CD2-CG1 4.12Å; L431-V455 HydrophobicContact CD2-CG2 4.14Å; A450-V455 HydrophobicContact CB-CB 4.37Å; A450-V455 PolarHBondContact O-N 3.21Å; L453-V455 HydrophobicContact CB-CG2 3.87Å; L453-V455 PolarHBondContact O-N 3.05Å; V455-D457 VanDerWaalsContact C-N 3.27Å; V455-D457 PolarHBondContact O-N 3.26Å; V455-L458 HydrophobicContact CB-CB 4.36Å; V455-L458 HydrophobicContact CG1-CB 3.7Å; V455-L458 PolarHBondContact O-N 2.71Å; V455-R459 PolarHBondContact O-N 2.67Å
456	F	94.7	Very high	95.6	Very high	117 Å²	117	39.3 Å²	39.3	51%	0.513	19%	0.193	S	C	.	.	H	α-helix	trans	-59.8	-33.9	-172.8	-61.1	-68.2	0	0	0	113.9	E454 L458 R459 M460	E454-F456 VanDerWaalsContact C-N 3.32Å; E454-F456 HydrophobicContact CB-CE2 4.03Å; E454-F456 HydrophobicContact CB-CZ 4.14Å; E454-F456 HydrophobicContact CG-CZ 4.38Å; E454-F456 WeakPolarHBondContact O-CD2 3.38Å; E454-F456 PolarHBondContact O-N 3.11Å; E454-F456 VanDerWaalsContact O-N 3.17Å; F456-L458 PolarHBondContact O-N 2.58Å; F456-R459 WeakPolarHBondContact O-CB 3.45Å; F456-R459 PolarHBondContact O-N 3.22Å; F456-M460 VanDerWaalsContact O-CG 3.32Å; F456-M460 WeakPolarHBondContact O-CG 3.08Å; F456-M460 PolarHBondContact O-N 3.01Å
457	D	95	Very high	95.5	Very high	33 Å²	33	44.1 Å²	44.1	18%	0.176	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-47	177.7	-63.6	-18.2	0	0	0	111.7	Y430 V455 R459 M460 M461 I476 R483	Y430-D457 WeakPolarHBondContact OH-CB 3.5Å; V455-D457 VanDerWaalsContact C-N 3.27Å; V455-D457 PolarHBondContact O-N 3.26Å; D457-R459 VanDerWaalsContact C-N 3.34Å; D457-R459 PolarHBondContact O-N 3.46Å; D457-M460 PolarHBondContact O-N 3.25Å; D457-M461 WeakPolarHBondContact O-CG 3.29Å; D457-M461 PolarHBondContact O-N 3.46Å; D457-I476 HydrophobicContact CB-CG2 3.78Å; D457-R483 IonicContact OD1-CZ 3.79Å; D457-R483 IonicContact OD1-NH1 2.83Å; D457-R483 IonicContact OD1-NH2 2.66Å; D457-R483 PolarHBondContact OD1-NH2 3.34Å; D457-R483 IonicContact OD2-CZ 3.02Å; D457-R483 IonicContact OD2-NH2 3.9Å; D457-R483 PolarHBondContact OD2-NH2 3.21Å
458	L	96.6	Very high	95.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-64.1	-42	178	-179.7	55.4	0	0	0	111	V427 Y430 L436 I446 A450 V455 F456 M460 M461 V462	V427-L458 HydrophobicContact CB-CD2 4.11Å; V427-L458 HydrophobicContact CG1-CD2 3.98Å; V427-L458 HydrophobicContact CG2-CD2 3.82Å; Y430-L458 HydrophobicContact CD1-CB 3.79Å; Y430-L458 HydrophobicContact CD1-CD1 4.1Å; Y430-L458 HydrophobicContact CD1-CD2 3.8Å; Y430-L458 HydrophobicContact CD1-CG 4.11Å; Y430-L458 HydrophobicContact CD2-CD1 3.8Å; Y430-L458 HydrophobicContact CE1-CB 3.67Å; Y430-L458 HydrophobicContact CE1-CG 4.46Å; Y430-L458 HydrophobicContact CE2-CD1 4.27Å; Y430-L458 HydrophobicContact CG-CB 4.27Å; Y430-L458 HydrophobicContact CG-CD1 3.69Å; Y430-L458 HydrophobicContact CG-CD2 3.98Å; Y430-L458 HydrophobicContact CG-CG 4.2Å; L436-L458 HydrophobicContact CB-CD1 4.18Å; L436-L458 HydrophobicContact CD1-CD1 4.19Å; L436-L458 HydrophobicContact CD2-CD1 3.76Å; L436-L458 HydrophobicContact CG-CD1 4.27Å; I446-L458 HydrophobicContact CG2-CD1 4.29Å; I446-L458 HydrophobicContact CG2-CD2 4.03Å; I446-L458 HydrophobicContact CG2-CG 4.19Å; A450-L458 HydrophobicContact CB-CB 4.08Å; A450-L458 HydrophobicContact CB-CD2 4Å; A450-L458 HydrophobicContact CB-CG 4.01Å; V455-L458 HydrophobicContact CB-CB 4.36Å; V455-L458 HydrophobicContact CG1-CB 3.7Å; V455-L458 PolarHBondContact O-N 2.71Å; F456-L458 PolarHBondContact O-N 2.58Å; L458-M460 VanDerWaalsContact C-N 3.29Å; L458-M460 PolarHBondContact O-N 2.85Å; L458-M461 PolarHBondContact O-N 3.24Å; L458-V462 HydrophobicContact CD1-CG2 4.43Å; L458-V462 WeakPolarHBondContact O-CG2 3.42Å; L458-V462 PolarHBondContact O-N 2.94Å
459	R	96.2	Very high	95.2	Very high	99 Å²	99	50.1 Å²	50.1	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-59.5	-41.6	175.9	-166.5	-171.1	72.1	111.6	4.9	111.4	A447 A450 V455 F456 D457 A463	A447-R459 HydrophobicContact CB-CG 4.44Å; A450-R459 HydrophobicContact CB-CB 4.24Å; V455-R459 PolarHBondContact O-N 2.67Å; F456-R459 WeakPolarHBondContact O-CB 3.45Å; F456-R459 PolarHBondContact O-N 3.22Å; D457-R459 VanDerWaalsContact C-N 3.34Å; D457-R459 PolarHBondContact O-N 3.46Å; R459-A463 PolarHBondContact O-N 3.4Å; R459-A463 VanDerWaalsContact O-N 3.11Å
460	M	95.1	Very high	95	Very high	86 Å²	86	50.7 Å²	50.7	42%	0.424	25%	0.254	S	S	.	.	H	α-helix	trans	-66.8	-41.4	175.1	-70.3	-59.7	-60.1	0	0	112	F456 D457 L458 V462 A463 N464 I476	F456-M460 VanDerWaalsContact O-CG 3.32Å; F456-M460 WeakPolarHBondContact O-CG 3.08Å; F456-M460 PolarHBondContact O-N 3.01Å; D457-M460 PolarHBondContact O-N 3.25Å; L458-M460 VanDerWaalsContact C-N 3.29Å; L458-M460 PolarHBondContact O-N 2.85Å; M460-V462 VanDerWaalsContact C-N 3.35Å; M460-V462 PolarHBondContact O-N 3.08Å; M460-A463 WeakPolarHBondContact O-CB 3.4Å; M460-A463 PolarHBondContact O-N 2.69Å; M460-N464 VanDerWaalsContact O-CG 3.3Å; M460-N464 PolarHBondContact O-N 2.9Å; M460-I476 HydrophobicContact CB-CD1 4Å
461	M	95.9	Very high	94.7	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.025	29%	0.287	C	S	.	.	H	α-helix	trans	-62	-42.2	176.9	-72.6	174	72	0	0	112.4	Y430 L436 D457 L458 N464 I465 N473 I476	Y430-M461 HydrophobicContact CD2-SD 4.29Å; Y430-M461 HydrophobicContact CE2-CE 4.16Å; Y430-M461 HydrophobicContact CE2-SD 3.41Å; Y430-M461 WeakPolarHBondContact CE2-SD 3.36Å; L436-M461 HydrophobicContact CB-CE 4.04Å; L436-M461 HydrophobicContact CD2-CB 4.48Å; D457-M461 WeakPolarHBondContact O-CG 3.29Å; D457-M461 PolarHBondContact O-N 3.46Å; L458-M461 PolarHBondContact O-N 3.24Å; M461-N464 PolarHBondContact O-N 3.3Å; M461-I465 VanDerWaalsContact O-CG1 3.31Å; M461-I465 WeakPolarHBondContact O-CG1 3.18Å; M461-I465 PolarHBondContact O-N 3.2Å; M461-N473 WeakPolarHBondContact CA-OD1 3.34Å; M461-N473 HydrophobicContact CE-CB 4.09Å; M461-N473 HydrophobicContact CG-CB 4.2Å; M461-N473 PolarHBondContact O-ND2 3.41Å; M461-I476 HydrophobicContact CG-CB 4.11Å; M461-I476 HydrophobicContact CG-CD1 3.89Å; M461-I476 HydrophobicContact CG-CG2 3.79Å; M461-I476 HydrophobicContact SD-CB 4.47Å; M461-I476 HydrophobicContact SD-CG2 3.94Å
462	V	96.8	Very high	94.3	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-45.8	174	171.5	0	0	0	0	110.9	L436 L443 I446 A447 L458 M460 N464 I465 L466	L436-V462 HydrophobicContact CD2-CG2 3.59Å; L443-V462 HydrophobicContact CB-CG1 3.91Å; L443-V462 HydrophobicContact CD2-CG1 4.28Å; L443-V462 HydrophobicContact CD2-CG2 4.23Å; L443-V462 WeakPolarHBondContact O-CG1 3.38Å; I446-V462 HydrophobicContact CB-CG2 4.39Å; I446-V462 HydrophobicContact CG2-CG2 3.91Å; A447-V462 HydrophobicContact CB-CB 4.16Å; A447-V462 HydrophobicContact CB-CG1 3.8Å; A447-V462 HydrophobicContact CB-CG2 4.47Å; L458-V462 HydrophobicContact CD1-CG2 4.43Å; L458-V462 WeakPolarHBondContact O-CG2 3.42Å; L458-V462 PolarHBondContact O-N 2.94Å; M460-V462 VanDerWaalsContact C-N 3.35Å; M460-V462 PolarHBondContact O-N 3.08Å; V462-N464 VanDerWaalsContact C-N 3.31Å; V462-N464 PolarHBondContact O-N 3.16Å; V462-I465 PolarHBondContact O-N 3.34Å; V462-L466 HydrophobicContact CG1-CD1 3.79Å; V462-L466 HydrophobicContact CG1-CG 4.24Å; V462-L466 WeakPolarHBondContact O-CG 3.42Å; V462-L466 PolarHBondContact O-N 3.21Å
463	A	96.1	Very high	94.3	Very high	36 Å²	36	56.1 Å²	56.1	30%	0.298	28%	0.278	S	S	.	.	H	α-helix	trans	-59.1	-43.2	177.7	0	0	0	0	0	111.8	R459 M460 L466 N467	R459-A463 PolarHBondContact O-N 3.4Å; R459-A463 VanDerWaalsContact O-N 3.11Å; M460-A463 WeakPolarHBondContact O-CB 3.4Å; M460-A463 PolarHBondContact O-N 2.69Å; A463-L466 PolarHBondContact O-N 2.68Å; A463-N467 WeakPolarHBondContact O-CB 3.33Å; A463-N467 VanDerWaalsContact O-CG 3.23Å; A463-N467 PolarHBondContact O-N 3.39Å; A463-N467 PolarHBondContact O-ND2 2.98Å; A463-N467 VanDerWaalsContact O-ND2 3.17Å
464	N	95.4	Very high	94.1	Very high	13 Å²	13	62.2 Å²	62.2	7%	0.07	31%	0.307	C	S	.	.	H	α-helix	trans	-62.1	-42.9	175.8	-68.8	-11.7	0	0	0	112	M460 M461 V462 N467 N468 E469 N473	M460-N464 VanDerWaalsContact O-CG 3.3Å; M460-N464 PolarHBondContact O-N 2.9Å; M461-N464 PolarHBondContact O-N 3.3Å; V462-N464 VanDerWaalsContact C-N 3.31Å; V462-N464 PolarHBondContact O-N 3.16Å; N464-N467 PolarHBondContact O-N 2.91Å; N464-N468 PolarHBondContact O-N 2.88Å; N464-E469 HydrophobicContact CB-CB 4.43Å; N464-E469 CarbonylContact O-C 3.54Å; N464-E469 WeakPolarHBondContact O-CA 3.31Å; N464-E469 PolarHBondContact O-N 3.19Å; N464-N473 VanDerWaalsContact CB-OD1 3.29Å; N464-N473 WeakPolarHBondContact CB-OD1 3.18Å; N464-N473 PolarHBondContact ND2-OD1 3.34Å
465	I	95.1	Very high	94	Very high	17 Å²	17	63.2 Å²	63.2	9%	0.087	31%	0.312	C	S	.	.	H	α-helix	trans	-62.5	-46.2	177.3	-67	162.6	0	0	0	110.4	L436 E438 L443 M461 V462 N467 N468 A470	L436-I465 HydrophobicContact CD2-CD1 3.56Å; L436-I465 HydrophobicContact CG-CD1 4.09Å; E438-I465 HydrophobicContact CG-CD1 4.47Å; E438-I465 HydrophobicContact CG-CG1 4.41Å; L443-I465 HydrophobicContact CD1-CB 4.41Å; L443-I465 HydrophobicContact CD1-CG2 3.62Å; L443-I465 HydrophobicContact CD2-CD1 4.4Å; M461-I465 VanDerWaalsContact O-CG1 3.31Å; M461-I465 WeakPolarHBondContact O-CG1 3.18Å; M461-I465 PolarHBondContact O-N 3.2Å; V462-I465 PolarHBondContact O-N 3.34Å; I465-N467 PolarHBondContact O-N 3.23Å; I465-N468 PolarHBondContact O-N 3.5Å; I465-N468 VanDerWaalsContact O-N 3.08Å; I465-A470 HydrophobicContact CG1-CB 4.2Å
466	L	94.3	Very high	93.9	Very high	82 Å²	82	64.3 Å²	64.3	43%	0.429	32%	0.317	S	S	.	.	H	α-helix	trans	-62.8	-29.2	178.5	-68.5	171.3	0	0	0	113.1	L443 M444 V462 A463	L443-L466 HydrophobicContact CB-CD2 4.12Å; L443-L466 HydrophobicContact CB-CG 4.48Å; L443-L466 HydrophobicContact CD1-CD2 3.84Å; L443-L466 HydrophobicContact CD1-CG 4.31Å; M444-L466 HydrophobicContact SD-CD1 3.45Å; M444-L466 WeakPolarHBondContact SD-CD1 3.49Å; V462-L466 HydrophobicContact CG1-CD1 3.79Å; V462-L466 HydrophobicContact CG1-CG 4.24Å; V462-L466 WeakPolarHBondContact O-CG 3.42Å; V462-L466 PolarHBondContact O-N 3.21Å; A463-L466 PolarHBondContact O-N 2.68Å
467	N	95.1	Very high	93.8	Very high	102 Å²	102	60 Å²	60	55%	0.545	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	2.2	177.5	-67.1	-27.4	0	0	0	113.9	A463 N464 I465 E469	A463-N467 WeakPolarHBondContact O-CB 3.33Å; A463-N467 VanDerWaalsContact O-CG 3.23Å; A463-N467 PolarHBondContact O-N 3.39Å; A463-N467 PolarHBondContact O-ND2 2.98Å; A463-N467 VanDerWaalsContact O-ND2 3.17Å; N464-N467 PolarHBondContact O-N 2.91Å; I465-N467 PolarHBondContact O-N 3.23Å; N467-E469 VanDerWaalsContact C-N 3.28Å; N467-E469 HydrophobicContact CB-CG 4.15Å; N467-E469 PolarHBondContact O-N 3.13Å
468	N	92.7	Very high	93.6	Very high	151 Å²	151	63.2 Å²	63.2	81%	0.807	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	31.7	-171.5	-56.9	-54.3	0	0	0	114.3	N464 I465	N464-N468 PolarHBondContact O-N 2.88Å; I465-N468 PolarHBondContact O-N 3.5Å; I465-N468 VanDerWaalsContact O-N 3.08Å
469	E	93.5	Very high	93.4	Very high	76 Å²	76	65.3 Å²	65.3	36%	0.355	33%	0.33	S	S	.	.			trans	-112.9	28	179.3	-59.6	178.3	142.4	0	0	112.2	N464 N467 F471 M472	N464-E469 HydrophobicContact CB-CB 4.43Å; N464-E469 CarbonylContact O-C 3.54Å; N464-E469 WeakPolarHBondContact O-CA 3.31Å; N464-E469 PolarHBondContact O-N 3.19Å; N467-E469 VanDerWaalsContact C-N 3.28Å; N467-E469 HydrophobicContact CB-CG 4.15Å; N467-E469 PolarHBondContact O-N 3.13Å; E469-F471 HydrophobicContact CB-CE1 4.01Å; E469-F471 HydrophobicContact CG-CE1 4.38Å; E469-F471 PolarHBondContact O-N 3.44Å; E469-M472 HydrophobicContact CB-CE 3.45Å; E469-M472 VanDerWaalsContact CB-CE 3.45Å; E469-M472 VanDerWaalsContact CD-CE 3.48Å; E469-M472 HydrophobicContact CG-CE 3.99Å; E469-M472 WeakPolarHBondContact O-CB 3.38Å; E469-M472 PolarHBondContact O-N 3.41Å; E469-M472 WeakPolarHBondContact OE2-CE 3.47Å
470	A	90.6	Very high	93.3	Very high	16 Å²	16	60.9 Å²	60.9	13%	0.132	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-57.1	-23.5	-175.1	0	0	0	0	0	113.9	E438 I465 M472 N473	E438-A470 HydrophobicContact CG-CB 4.38Å; E438-A470 WeakPolarHBondContact OE1-CB 3.34Å; I465-A470 HydrophobicContact CG1-CB 4.2Å; A470-M472 PolarHBondContact O-N 2.92Å; A470-M472 VanDerWaalsContact O-N 3.13Å; A470-N473 WeakPolarHBondContact O-CB 3.43Å; A470-N473 PolarHBondContact O-N 2.85Å
471	F	90.1	Very high	93.1	Very high	157 Å²	157	60 Å²	60	69%	0.689	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-56.3	-27.9	173.4	72	-89	0	0	0	113.4	E469 N473	E469-F471 HydrophobicContact CB-CE1 4.01Å; E469-F471 HydrophobicContact CG-CE1 4.38Å; E469-F471 PolarHBondContact O-N 3.44Å; F471-N473 PolarHBondContact O-N 3.2Å
472	M	88.9	Confident	92.9	Very high	72 Å²	72	63.9 Å²	63.9	36%	0.355	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-71.3	-18.9	176.3	-66.1	-159.9	-81.5	0	0	113.1	E469 A470 Q474 E475	E469-M472 HydrophobicContact CB-CE 3.45Å; E469-M472 VanDerWaalsContact CB-CE 3.45Å; E469-M472 VanDerWaalsContact CD-CE 3.48Å; E469-M472 HydrophobicContact CG-CE 3.99Å; E469-M472 WeakPolarHBondContact O-CB 3.38Å; E469-M472 PolarHBondContact O-N 3.41Å; E469-M472 WeakPolarHBondContact OE2-CE 3.47Å; A470-M472 PolarHBondContact O-N 2.92Å; A470-M472 VanDerWaalsContact O-N 3.13Å; M472-Q474 PolarHBondContact O-N 2.95Å; M472-E475 PolarHBondContact O-N 3.01Å
473	N	92.7	Very high	92.7	Very high	13 Å²	13	70.3 Å²	70.3	7%	0.07	36%	0.356	C	S	.	.	H	α-helix	trans	-66.3	-20.8	-177.7	-67.4	-17.5	0	0	0	112.8	M461 N464 A470 F471 E475 I476 T477	M461-N473 WeakPolarHBondContact CA-OD1 3.34Å; M461-N473 HydrophobicContact CE-CB 4.09Å; M461-N473 HydrophobicContact CG-CB 4.2Å; M461-N473 PolarHBondContact O-ND2 3.41Å; N464-N473 VanDerWaalsContact CB-OD1 3.29Å; N464-N473 WeakPolarHBondContact CB-OD1 3.18Å; N464-N473 PolarHBondContact ND2-OD1 3.34Å; A470-N473 WeakPolarHBondContact O-CB 3.43Å; A470-N473 PolarHBondContact O-N 2.85Å; F471-N473 PolarHBondContact O-N 3.2Å; N473-E475 VanDerWaalsContact C-N 3.29Å; N473-E475 PolarHBondContact O-N 2.98Å; N473-I476 PolarHBondContact O-N 3.36Å; N473-T477 PolarHBondContact O-N 3.17Å; N473-T477 PolarHBondContact O-OG1 3.28Å
474	Q	91.9	Very high	92.5	Very high	129 Å²	129	70 Å²	70	60%	0.603	35%	0.347	S	S	*	.	H	α-helix	trans	-59.9	-39.3	177.8	-165.1	179.5	27	0	0	112.3	M472 K478	M472-Q474 PolarHBondContact O-N 2.95Å; Q474-K478 VanDerWaalsContact O-CG 3.3Å; Q474-K478 WeakPolarHBondContact O-CG 3.37Å; Q474-K478 PolarHBondContact O-N 3.08Å; Q474-K478 VanDerWaalsContact O-N 3.08Å
475	E	91.6	Very high	92.3	Very high	115 Å²	115	71.3 Å²	71.3	54%	0.537	36%	0.356	S	S	.	.	H	α-helix	trans	-73.8	-35.2	177.5	-66.2	-54.2	130.5	0	0	112	M472 N473 K478 A479	M472-E475 PolarHBondContact O-N 3.01Å; N473-E475 VanDerWaalsContact C-N 3.29Å; N473-E475 PolarHBondContact O-N 2.98Å; E475-K478 PolarHBondContact O-N 3.2Å; E475-K478 IonicContact OE1-NZ 2.87Å; E475-K478 PolarHBondContact OE1-NZ 3.05Å; E475-A479 WeakPolarHBondContact O-CB 3.47Å; E475-A479 PolarHBondContact O-N 3.46Å
476	I	93.2	Very high	92.2	Very high	30 Å²	30	74.7 Å²	74.7	15%	0.154	37%	0.374	C	S	.	.	H	α-helix	trans	-62.9	-47.5	174.4	-58.1	177.2	0	0	0	109.9	D457 M460 M461 N473 K478 A479 F480	D457-I476 HydrophobicContact CB-CG2 3.78Å; M460-I476 HydrophobicContact CB-CD1 4Å; M461-I476 HydrophobicContact CG-CB 4.11Å; M461-I476 HydrophobicContact CG-CD1 3.89Å; M461-I476 HydrophobicContact CG-CG2 3.79Å; M461-I476 HydrophobicContact SD-CB 4.47Å; M461-I476 HydrophobicContact SD-CG2 3.94Å; N473-I476 PolarHBondContact O-N 3.36Å; I476-K478 PolarHBondContact O-N 2.77Å; I476-A479 PolarHBondContact O-N 3.23Å; I476-F480 WeakPolarHBondContact O-CB 3.29Å; I476-F480 PolarHBondContact O-N 3.37Å
477	T	92.8	Very high	92.1	Very high	27 Å²	27	73.8 Å²	73.8	17%	0.166	37%	0.365	C	S	.	.	H	α-helix	trans	-60.3	-44.3	177.1	-65.2	0	0	0	0	111.4	G434 N473 A479 F480 H481	G434-T477 PolarHBondContact O-OG1 3.27Å; N473-T477 PolarHBondContact O-N 3.17Å; N473-T477 PolarHBondContact O-OG1 3.28Å; T477-A479 PolarHBondContact O-N 3.21Å; T477-F480 PolarHBondContact O-N 2.95Å; T477-H481 PolarHBondContact O-CD2 3.3Å; T477-H481 PolarHBondContact O-N 3.12Å
478	K	91.5	Very high	92	Very high	100 Å²	100	69.2 Å²	69.2	44%	0.435	34%	0.341	S	S	.	.	H	α-helix	trans	-58.1	-49	174.1	-73.9	170.9	-172.2	167.5	0	111.8	Q474 E475 I476 F480 H481 V482	Q474-K478 VanDerWaalsContact O-CG 3.3Å; Q474-K478 WeakPolarHBondContact O-CG 3.37Å; Q474-K478 PolarHBondContact O-N 3.08Å; Q474-K478 VanDerWaalsContact O-N 3.08Å; E475-K478 PolarHBondContact O-N 3.2Å; E475-K478 IonicContact OE1-NZ 2.87Å; E475-K478 PolarHBondContact OE1-NZ 3.05Å; I476-K478 PolarHBondContact O-N 2.77Å; K478-F480 VanDerWaalsContact C-N 3.34Å; K478-F480 PolarHBondContact O-N 2.88Å; K478-H481 PolarHBondContact O-N 3.48Å; K478-V482 WeakPolarHBondContact O-CG2 3.45Å; K478-V482 PolarHBondContact O-N 2.95Å
479	A	92.9	Very high	92	Very high	45 Å²	45	66.8 Å²	66.8	37%	0.372	32%	0.323	S	S	.	.	H	α-helix	trans	-63.1	-39.6	179.8	0	0	0	0	0	112.4	E475 I476 T477 V482 R483	E475-A479 WeakPolarHBondContact O-CB 3.47Å; E475-A479 PolarHBondContact O-N 3.46Å; I476-A479 PolarHBondContact O-N 3.23Å; T477-A479 PolarHBondContact O-N 3.21Å; A479-V482 PolarHBondContact O-N 3.46Å; A479-R483 PolarHBondContact O-N 2.88Å
480	F	93.6	Very high	92	Very high	6 Å²	6	66.3 Å²	66.3	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-58.4	-52.6	173.7	173.2	-94.1	0	0	0	111.4	S312 Y430 G434 I476 T477 K478 V482 R483 R484	S312-F480 WeakPolarHBondContact OG-CZ 3.35Å; Y430-F480 HydrophobicContact CE1-CD2 4.24Å; Y430-F480 AromaticContact CE1-CE2 3.99Å; Y430-F480 HydrophobicContact CE1-CE2 3.99Å; G434-F480 VanDerWaalsContact CA-CD1 3.47Å; I476-F480 WeakPolarHBondContact O-CB 3.29Å; I476-F480 PolarHBondContact O-N 3.37Å; T477-F480 PolarHBondContact O-N 2.95Å; K478-F480 VanDerWaalsContact C-N 3.34Å; K478-F480 PolarHBondContact O-N 2.88Å; F480-V482 VanDerWaalsContact C-N 3.32Å; F480-V482 PolarHBondContact O-N 3.4Å; F480-R483 PolarHBondContact O-N 2.95Å; F480-R484 WeakPolarHBondContact O-CB 3.48Å; F480-R484 PolarHBondContact O-N 2.87Å
481	H	91.1	Very high	92.1	Very high	66 Å²	66	65.6 Å²	65.6	31%	0.306	32%	0.315	S	S	.	.	H	α-helix	trans	-63.1	-36	179.8	-74	-66.6	0	0	0	112.9	T433 T477 K478 T485	T433-H481 PolarHBondContact O-CE1 3.43Å; T433-H481 PolarHBondContact O-NE2 3.27Å; T477-H481 PolarHBondContact O-CD2 3.3Å; T477-H481 PolarHBondContact O-N 3.12Å; K478-H481 PolarHBondContact O-N 3.48Å; H481-T485 VanDerWaalsContact O-CB 3.25Å; H481-T485 WeakPolarHBondContact O-CB 3.31Å; H481-T485 PolarHBondContact O-N 3.3Å; H481-T485 PolarHBondContact O-OG1 3.28Å
482	V	91.8	Very high	92.3	Very high	87 Å²	87	59.2 Å²	59.2	53%	0.527	29%	0.288	S	S	.	.	H	α-helix	trans	-62.8	-49.1	174.6	170.8	0	0	0	0	111	K478 A479 F480 T485 N486	K478-V482 WeakPolarHBondContact O-CG2 3.45Å; K478-V482 PolarHBondContact O-N 2.95Å; A479-V482 PolarHBondContact O-N 3.46Å; F480-V482 VanDerWaalsContact C-N 3.32Å; F480-V482 PolarHBondContact O-N 3.4Å; V482-T485 PolarHBondContact O-N 2.99Å; V482-N486 PolarHBondContact O-N 3.05Å; V482-N486 PolarHBondContact O-ND2 3.15Å
483	R	92.4	Very high	92.4	Very high	136 Å²	136	59.9 Å²	59.9	51%	0.513	31%	0.305	S	S	.	.	H	α-helix	trans	-62	-46.2	178.1	-78.2	-170.2	-70.5	-156.3	-13	112.1	D457 A479 F480 T485 N486 R487	D457-R483 IonicContact OD1-CZ 3.79Å; D457-R483 IonicContact OD1-NH1 2.83Å; D457-R483 IonicContact OD1-NH2 2.66Å; D457-R483 PolarHBondContact OD1-NH2 3.34Å; D457-R483 IonicContact OD2-CZ 3.02Å; D457-R483 IonicContact OD2-NH2 3.9Å; D457-R483 PolarHBondContact OD2-NH2 3.21Å; A479-R483 PolarHBondContact O-N 2.88Å; F480-R483 PolarHBondContact O-N 2.95Å; R483-T485 PolarHBondContact O-N 3.12Å; R483-N486 PolarHBondContact O-N 3.22Å; R483-R487 PolarHBondContact O-N 3.47Å
484	R	91.6	Very high	92.4	Very high	30 Å²	30	65.5 Å²	65.5	11%	0.113	33%	0.328	C	S	.	.	H	α-helix	trans	-60.5	-46.2	177.8	-177.6	178.4	168.5	-158.7	-14.2	111.6	S312 Y432 F480 N486 R487 V488	S312-R484 WeakPolarHBondContact OG-CD 3.49Å; Y432-R484 PolarHBondContact O-NH1 2.85Å; F480-R484 WeakPolarHBondContact O-CB 3.48Å; F480-R484 PolarHBondContact O-N 2.87Å; R484-N486 VanDerWaalsContact C-N 3.29Å; R484-N486 PolarHBondContact O-N 3.47Å; R484-R487 PolarHBondContact O-N 3.29Å; R484-R487 VanDerWaalsContact O-N 3.11Å; R484-V488 HydrophobicContact CG-CG2 4.36Å; R484-V488 VanDerWaalsContact O-CG2 3.31Å; R484-V488 WeakPolarHBondContact O-CG2 3.45Å; R484-V488 PolarHBondContact O-N 3.05Å
485	T	91.3	Very high	92.4	Very high	41 Å²	41	59.8 Å²	59.8	25%	0.252	31%	0.305	S	S	.	.	H	α-helix	trans	-57.6	-42.8	176.6	-59.7	0	0	0	0	111.3	H481 V482 R483 V488 K489 M558	H481-T485 VanDerWaalsContact O-CB 3.25Å; H481-T485 WeakPolarHBondContact O-CB 3.31Å; H481-T485 PolarHBondContact O-N 3.3Å; H481-T485 PolarHBondContact O-OG1 3.28Å; V482-T485 PolarHBondContact O-N 2.99Å; R483-T485 PolarHBondContact O-N 3.12Å; T485-V488 PolarHBondContact O-N 3.26Å; T485-K489 WeakPolarHBondContact O-CG 3.37Å; T485-K489 PolarHBondContact O-N 3.15Å; T485-M558 HydrophobicContact CG2-CB 4.3Å; T485-M558 HydrophobicContact CG2-CG 3.91Å; T485-M558 HydrophobicContact CG2-SD 4.07Å
486	N	92.3	Very high	92.5	Very high	88 Å²	88	55.9 Å²	55.9	47%	0.471	29%	0.288	S	S	.	.	H	α-helix	trans	-64.2	-40.2	176.4	-70.5	-24.6	0	0	0	112.3	V482 R483 R484 K489 E490	V482-N486 PolarHBondContact O-N 3.05Å; V482-N486 PolarHBondContact O-ND2 3.15Å; R483-N486 PolarHBondContact O-N 3.22Å; R484-N486 VanDerWaalsContact C-N 3.29Å; R484-N486 PolarHBondContact O-N 3.47Å; N486-K489 WeakPolarHBondContact O-CB 3.24Å; N486-K489 PolarHBondContact O-N 3.02Å; N486-E490 PolarHBondContact O-N 2.95Å; N486-E490 VanDerWaalsContact O-N 3.11Å
487	R	93.4	Very high	92.5	Very high	62 Å²	62	56.1 Å²	56.1	23%	0.234	29%	0.289	C	S	.	.	H	α-helix	trans	-67.9	-39.3	175.7	-167.4	66.3	67.4	89.7	6.6	112.1	T311 S314 Y317 R483 R484 K489 E490 C491	T311-R487 HydrophobicContact CG2-CB 4.39Å; T311-R487 HydrophobicContact CG2-CG 4.09Å; S314-R487 PolarHBondContact OG-NH2 2.79Å; Y317-R487 HydrophobicContact CD2-CG 4.49Å; Y317-R487 VanDerWaalsContact CD2-NH1 3.26Å; R483-R487 PolarHBondContact O-N 3.47Å; R484-R487 PolarHBondContact O-N 3.29Å; R484-R487 VanDerWaalsContact O-N 3.11Å; R487-K489 VanDerWaalsContact C-N 3.33Å; R487-K489 PolarHBondContact O-N 3.21Å; R487-E490 IonicContact NE-OE2 2.69Å; R487-E490 WeakPolarHBondContact O-CB 3.34Å; R487-E490 PolarHBondContact O-N 3.43Å; R487-E490 VanDerWaalsContact O-N 3.16Å; R487-C491 PolarHBondContact O-N 2.87Å; R487-C491 PolarHBondContact O-SG 2.7Å; R487-C491 VanDerWaalsContact O-SG 3.37Å
488	V	93	Very high	92.6	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.042	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-42.9	174.5	171.1	0	0	0	0	111	T311 R484 T485 E490 C491 L492 L515 Y557	T311-V488 HydrophobicContact CG2-CG2 3.66Å; R484-V488 HydrophobicContact CG-CG2 4.36Å; R484-V488 VanDerWaalsContact O-CG2 3.31Å; R484-V488 WeakPolarHBondContact O-CG2 3.45Å; R484-V488 PolarHBondContact O-N 3.05Å; T485-V488 PolarHBondContact O-N 3.26Å; V488-E490 VanDerWaalsContact C-N 3.32Å; V488-E490 PolarHBondContact O-N 3.31Å; V488-C491 PolarHBondContact O-N 3Å; V488-L492 WeakPolarHBondContact O-CB 3.44Å; V488-L492 PolarHBondContact O-N 3.33Å; V488-L515 HydrophobicContact CG1-CD1 4.05Å; V488-Y557 HydrophobicContact CG1-CD2 3.44Å; V488-Y557 VanDerWaalsContact CG1-CD2 3.44Å; V488-Y557 HydrophobicContact CG1-CE2 4.34Å; V488-Y557 HydrophobicContact CG1-CG 3.95Å
489	K	91.7	Very high	92.6	Very high	99 Å²	99	53.1 Å²	53.1	43%	0.43	28%	0.279	S	S	.	.	H	α-helix	trans	-58.6	-43.6	173.2	-74	176.9	178.1	-179.9	0	112.1	T485 N486 R487 L492 A493 M558	T485-K489 WeakPolarHBondContact O-CG 3.37Å; T485-K489 PolarHBondContact O-N 3.15Å; N486-K489 WeakPolarHBondContact O-CB 3.24Å; N486-K489 PolarHBondContact O-N 3.02Å; R487-K489 VanDerWaalsContact C-N 3.33Å; R487-K489 PolarHBondContact O-N 3.21Å; K489-L492 PolarHBondContact O-N 3.43Å; K489-A493 WeakPolarHBondContact O-CB 3.39Å; K489-A493 PolarHBondContact O-N 2.88Å; K489-M558 HydrophobicContact CD-SD 3.99Å; K489-M558 WeakPolarHBondContact CE-SD 3.32Å; K489-M558 HydrophobicContact CG-SD 3.74Å
490	E	93.2	Very high	92.7	Very high	67 Å²	67	51 Å²	51	31%	0.313	26%	0.262	S	S	.	.	H	α-helix	trans	-62.5	-47.1	177.4	-176.2	-176.7	179.1	0	0	111.6	N486 R487 V488 L492 A493 K494	N486-E490 PolarHBondContact O-N 2.95Å; N486-E490 VanDerWaalsContact O-N 3.11Å; R487-E490 IonicContact NE-OE2 2.69Å; R487-E490 WeakPolarHBondContact O-CB 3.34Å; R487-E490 PolarHBondContact O-N 3.43Å; R487-E490 VanDerWaalsContact O-N 3.16Å; V488-E490 VanDerWaalsContact C-N 3.32Å; V488-E490 PolarHBondContact O-N 3.31Å; E490-L492 VanDerWaalsContact C-N 3.35Å; E490-L492 PolarHBondContact O-N 2.85Å; E490-A493 PolarHBondContact O-N 3.41Å; E490-K494 HydrophobicContact CG-CD 4Å; E490-K494 PolarHBondContact O-N 3.02Å; E490-K494 IonicContact OE1-NZ 3.93Å; E490-K494 PolarHBondContact OE1-NZ 3.5Å
491	C	93.9	Very high	92.9	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.007	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-42.8	176.6	-66.2	0	0	0	0	111.6	I307 R487 V488 A493 K494 G495 T496	I307-C491 HydrophobicContact CD1-CB 3.88Å; R487-C491 PolarHBondContact O-N 2.87Å; R487-C491 PolarHBondContact O-SG 2.7Å; R487-C491 VanDerWaalsContact O-SG 3.37Å; V488-C491 PolarHBondContact O-N 3Å; C491-A493 VanDerWaalsContact C-N 3.35Å; C491-A493 PolarHBondContact O-N 3.28Å; C491-K494 PolarHBondContact O-N 3.36Å; C491-G495 CarbonylContact O-C 3.51Å; C491-G495 VanDerWaalsContact O-CA 3.26Å; C491-G495 WeakPolarHBondContact O-CA 3.37Å; C491-G495 PolarHBondContact O-N 3.15Å; C491-T496 PolarHBondContact O-N 3.01Å
492	L	92.7	Very high	93.1	Very high	22 Å²	22	49.3 Å²	49.3	12%	0.115	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-40.1	175.5	-179.6	62	0	0	0	112.2	V488 K489 E490 L553 E554 Y557	V488-L492 WeakPolarHBondContact O-CB 3.44Å; V488-L492 PolarHBondContact O-N 3.33Å; K489-L492 PolarHBondContact O-N 3.43Å; E490-L492 VanDerWaalsContact C-N 3.35Å; E490-L492 PolarHBondContact O-N 2.85Å; L492-L553 HydrophobicContact CD1-CB 4.22Å; L492-L553 HydrophobicContact CD1-CD1 3.85Å; L492-L553 HydrophobicContact CD2-CB 4.11Å; L492-E554 HydrophobicContact CD2-CG 4.14Å; L492-Y557 HydrophobicContact CB-CD2 4.43Å; L492-Y557 HydrophobicContact CB-CE2 4.33Å; L492-Y557 HydrophobicContact CD1-CE2 4.01Å; L492-Y557 HydrophobicContact CD2-CD2 4.17Å; L492-Y557 HydrophobicContact CD2-CE2 4.41Å; L492-Y557 HydrophobicContact CG-CE2 4.48Å
493	A	92.1	Very high	93.4	Very high	86 Å²	86	48.8 Å²	48.8	71%	0.711	25%	0.247	S	C	*	.	H	α-helix	trans	-70.2	-38.5	179.7	0	0	0	0	0	112.9	K489 E490 C491	K489-A493 WeakPolarHBondContact O-CB 3.39Å; K489-A493 PolarHBondContact O-N 2.88Å; E490-A493 PolarHBondContact O-N 3.41Å; C491-A493 VanDerWaalsContact C-N 3.35Å; C491-A493 PolarHBondContact O-N 3.28Å
494	K	92.6	Very high	93.5	Very high	131 Å²	131	43.1 Å²	43.1	57%	0.57	23%	0.227	S	C	*	.	H	α-helix	trans	-91.6	-18.8	-177.7	-67.1	179.7	-179.8	175.2	0	113.9	E490 C491 T496	E490-K494 HydrophobicContact CG-CD 4Å; E490-K494 PolarHBondContact O-N 3.02Å; E490-K494 IonicContact OE1-NZ 3.93Å; E490-K494 PolarHBondContact OE1-NZ 3.5Å; C491-K494 PolarHBondContact O-N 3.36Å; K494-T496 VanDerWaalsContact C-N 3.29Å; K494-T496 WeakPolarHBondContact CB-OG1 3.49Å
495	G	92.3	Very high	93.7	Very high	10 Å²	10	46.5 Å²	46.5	10%	0.103	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	16.2	-168.9	0	0	0	0	0	114.5	C491 F497 S498 M510	C491-G495 CarbonylContact O-C 3.51Å; C491-G495 VanDerWaalsContact O-CA 3.26Å; C491-G495 WeakPolarHBondContact O-CA 3.37Å; C491-G495 PolarHBondContact O-N 3.15Å; G495-F497 PolarHBondContact O-N 2.89Å; G495-S498 WeakPolarHBondContact O-CB 3.28Å; G495-S498 PolarHBondContact O-N 3Å; G495-S498 VanDerWaalsContact O-N 3.08Å; G495-S498 PolarHBondContact O-OG 3.48Å; G495-M510 VanDerWaalsContact CA-CE 3.47Å
496	T	93.2	Very high	93.9	Very high	32 Å²	32	48.1 Å²	48.1	20%	0.196	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	125.7	-179.4	-45.2	0	0	0	0	109.8	Y317 C491 K494 S498 H512	Y317-T496 HydrophobicContact CE2-CG2 4.49Å; C491-T496 PolarHBondContact O-N 3.01Å; K494-T496 VanDerWaalsContact C-N 3.29Å; K494-T496 WeakPolarHBondContact CB-OG1 3.49Å; T496-S498 PolarHBondContact O-N 3.4Å; T496-H512 PolarHBondContact O-NE2 2.98Å; T496-H512 VanDerWaalsContact O-NE2 3.09Å
497	F	93	Very high	94	Very high	36 Å²	36	45.1 Å²	45.1	16%	0.158	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	15.8	-175.3	-43.3	-60.6	0	0	0	115.4	I307 A310 Y317 F320 G495 H512	I307-F497 HydrophobicContact CD1-CB 4.41Å; I307-F497 HydrophobicContact CD1-CD2 4.4Å; A310-F497 HydrophobicContact CB-CD2 4.01Å; A310-F497 HydrophobicContact CB-CE2 3.5Å; A310-F497 VanDerWaalsContact CB-CE2 3.5Å; A310-F497 HydrophobicContact CB-CZ 4.07Å; Y317-F497 AromaticContact CD2-CE2 3.77Å; Y317-F497 HydrophobicContact CD2-CE2 3.77Å; Y317-F497 HydrophobicContact CD2-CZ 4.31Å; Y317-F497 AromaticContact CE2-CE2 3.76Å; Y317-F497 HydrophobicContact CE2-CE2 3.76Å; Y317-F497 HydrophobicContact CE2-CZ 4.37Å; F320-F497 HydrophobicContact CB-CD1 4.39Å; F320-F497 HydrophobicContact CB-CE1 3.53Å; F320-F497 HydrophobicContact CB-CZ 3.92Å; G495-F497 PolarHBondContact O-N 2.89Å; F497-H512 PolarHBondContact O-CD2 2.98Å
498	S	94.4	Very high	94.1	Very high	38 Å²	38	46 Å²	46	27%	0.266	26%	0.256	S	S	.	.			trans	-64.3	140.5	173.9	70	0	0	0	0	111.9	G495 T496 A511	G495-S498 WeakPolarHBondContact O-CB 3.28Å; G495-S498 PolarHBondContact O-N 3Å; G495-S498 VanDerWaalsContact O-N 3.08Å; G495-S498 PolarHBondContact O-OG 3.48Å; T496-S498 PolarHBondContact O-N 3.4Å; S498-A511 WeakPolarHBondContact CA-O 3.29Å; S498-A511 WeakPolarHBondContact CB-O 3.25Å
499	D	92.2	Very high	94.2	Very high	26 Å²	26	46.2 Å²	46.2	14%	0.139	26%	0.257	C	S	.	.			trans	-125.9	-0.1	-177.6	65.6	-16.5	0	0	0	112.7	A511 H512 K513	D499-A511 PolarHBondContact N-O 3.03Å; D499-H512 WeakPolarHBondContact OD1-CA 3.38Å; D499-K513 PolarHBondContact OD1-N 2.63Å; D499-K513 WeakPolarHBondContact OD2-CB 3.45Å; D499-K513 WeakPolarHBondContact OD2-CG 3.41Å
500	V	94.8	Very high	94.5	Very high	1 Å²	1	45 Å²	45	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	144.5	171.9	66.5	0	0	0	0	111.6	F502 A511 K513 L516 F527 K537 V539	V500-F502 HydrophobicContact CG1-CE2 4.19Å; V500-A511 HydrophobicContact CG1-CB 3.95Å; V500-A511 PolarHBondContact N-O 3.41Å; V500-A511 PolarHBondContact O-N 2.72Å; V500-K513 HydrophobicContact CB-CG 4.01Å; V500-K513 HydrophobicContact CG1-CG 3.92Å; V500-L516 HydrophobicContact CG1-CD1 4.23Å; V500-F527 HydrophobicContact CG1-CZ 4.37Å; V500-F527 HydrophobicContact CG2-CE1 4.04Å; V500-F527 HydrophobicContact CG2-CZ 3.99Å; V500-K537 CarbonylContact C-O 3.55Å; V500-K537 WeakPolarHBondContact CA-O 3.44Å; V500-V539 HydrophobicContact CG2-CB 4.5Å; V500-V539 HydrophobicContact CG2-CG2 3.84Å
501	V	96.8	Very high	94.6	Very high	35 Å²	35	41.8 Å²	41.8	21%	0.212	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.6	174.4	-173.9	0	0	0	0	108.7	T508 M510 K537 E538 V539	V501-T508 HydrophobicContact CG1-CG2 4.24Å; V501-M510 HydrophobicContact CG2-CG 4.21Å; V501-K537 PolarHBondContact N-O 2.94Å; V501-E538 HydrophobicContact CB-CG 4.43Å; V501-E538 CarbonylContact O-C 3.59Å; V501-E538 VanDerWaalsContact O-CA 3.27Å; V501-E538 WeakPolarHBondContact O-CA 3.4Å; V501-V539 PolarHBondContact O-N 3.18Å
502	F	96.7	Very high	94.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.4	170.6	-66.9	-75.5	0	0	0	109.9	V500 L504 T508 I509 A511 L516 F527 V539 L541 M549	V500-F502 HydrophobicContact CG1-CE2 4.19Å; F502-L504 HydrophobicContact CB-CD2 4.13Å; F502-L504 HydrophobicContact CB-CG 4.48Å; F502-T508 CarbonylContact O-C 3.58Å; F502-T508 VanDerWaalsContact O-CA 3.23Å; F502-T508 WeakPolarHBondContact O-CA 3.25Å; F502-I509 HydrophobicContact CB-CG2 3.86Å; F502-I509 HydrophobicContact CD2-CG2 4.34Å; F502-I509 PolarHBondContact N-O 2.83Å; F502-I509 PolarHBondContact O-N 3.41Å; F502-A511 HydrophobicContact CD2-CB 4.09Å; F502-A511 HydrophobicContact CE2-CB 3.8Å; F502-L516 HydrophobicContact CE2-CD1 3.86Å; F502-L516 HydrophobicContact CZ-CD1 3.99Å; F502-F527 HydrophobicContact CE1-CZ 4.27Å; F502-F527 HydrophobicContact CZ-CE2 4.23Å; F502-F527 AromaticContact CZ-CZ 3.92Å; F502-F527 HydrophobicContact CZ-CZ 3.92Å; F502-V539 CarbonylContact C-O 3.6Å; F502-V539 WeakPolarHBondContact CA-O 3.26Å; F502-V539 HydrophobicContact CD1-CB 3.78Å; F502-V539 HydrophobicContact CD1-CG1 3.98Å; F502-V539 HydrophobicContact CE1-CB 3.88Å; F502-V539 HydrophobicContact CE1-CG1 3.89Å; F502-V539 HydrophobicContact CE1-CG2 4.48Å; F502-L541 HydrophobicContact CB-CD1 4.49Å; F502-L541 HydrophobicContact CD1-CD1 3.36Å; F502-L541 HydrophobicContact CD1-CG 3.85Å; F502-L541 HydrophobicContact CE1-CD1 3.69Å; F502-L541 HydrophobicContact CE1-CG 4.3Å; F502-L541 HydrophobicContact CG-CD1 4.05Å; F502-M549 HydrophobicContact CD1-CE 4.25Å; F502-M549 HydrophobicContact CD2-CE 3.49Å; F502-M549 VanDerWaalsContact CD2-CE 3.49Å; F502-M549 HydrophobicContact CE1-CE 4.26Å; F502-M549 HydrophobicContact CE2-CE 3.48Å; F502-M549 VanDerWaalsContact CE2-CE 3.48Å; F502-M549 HydrophobicContact CG-CE 3.88Å; F502-M549 HydrophobicContact CZ-CE 3.88Å
503	K	96.8	Very high	94.6	Very high	77 Å²	77	41 Å²	41	34%	0.335	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	119.6	169.7	-73.4	179.4	165.8	171.1	0	108.6	T508 E538 V539 L540 L541	K503-T508 HydrophobicContact CG-CG2 3.98Å; K503-E538 VanDerWaalsContact CE-CD 3.47Å; K503-E538 WeakPolarHBondContact CE-OE1 3.35Å; K503-E538 VanDerWaalsContact CE-OE2 3.24Å; K503-E538 WeakPolarHBondContact CE-OE2 3.33Å; K503-E538 VanDerWaalsContact NZ-CD 3.27Å; K503-E538 IonicContact NZ-OE1 3.74Å; K503-E538 PolarHBondContact NZ-OE1 3.11Å; K503-E538 IonicContact NZ-OE2 3.86Å; K503-E538 PolarHBondContact NZ-OE2 3.49Å; K503-V539 PolarHBondContact N-O 3.05Å; K503-L540 HydrophobicContact CB-CD2 3.57Å; K503-L540 HydrophobicContact CD-CD2 3.6Å; K503-L540 HydrophobicContact CG-CD2 4.15Å; K503-L541 PolarHBondContact O-N 3.11Å
504	L	96.4	Very high	94.6	Very high	17 Å²	17	37 Å²	37	9%	0.089	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	169.7	-173.2	-55	-178.5	0	0	0	109.2	F502 D506 G507 I509 L541 T544 R546 M549	F502-L504 HydrophobicContact CB-CD2 4.13Å; F502-L504 HydrophobicContact CB-CG 4.48Å; L504-D506 VanDerWaalsContact C-N 3.26Å; L504-D506 PolarHBondContact O-N 3.02Å; L504-G507 CarbonylContact C-O 3.57Å; L504-G507 WeakPolarHBondContact CA-O 3.12Å; L504-G507 WeakPolarHBondContact CB-O 3.28Å; L504-G507 PolarHBondContact N-O 3.21Å; L504-G507 PolarHBondContact O-N 3.37Å; L504-G507 VanDerWaalsContact O-O 3.14Å; L504-I509 HydrophobicContact CD1-CB 4.36Å; L504-I509 HydrophobicContact CD1-CG2 3.77Å; L504-I509 HydrophobicContact CG-CG2 4.45Å; L504-L541 HydrophobicContact CD2-CB 3.91Å; L504-T544 WeakPolarHBondContact CB-O 3.36Å; L504-T544 HydrophobicContact CD2-CG2 3.98Å; L504-R546 HydrophobicContact CD1-CB 4.14Å; L504-R546 HydrophobicContact CD1-CG 4.36Å; L504-M549 HydrophobicContact CD1-CB 3.61Å; L504-M549 HydrophobicContact CD1-CG 4.05Å; L504-M549 HydrophobicContact CD2-CB 4.27Å; L504-M549 HydrophobicContact CD2-CG 4.26Å
505	D	94.8	Very high	94.6	Very high	100 Å²	100	31.1 Å²	31.1	54%	0.535	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-32.9	-174.3	-58.7	-32.7	0	0	0	112.5	N543 T544	D505-N543 PolarHBondContact OD1-N 3.08Å; D505-N543 VanDerWaalsContact OD1-N 3.12Å; D505-N543 VanDerWaalsContact OD2-C 3.27Å; D505-N543 WeakPolarHBondContact OD2-CA 3.32Å; D505-N543 PolarHBondContact OD2-N 3.07Å; D505-T544 PolarHBondContact N-O 3.36Å; D505-T544 VanDerWaalsContact N-O 3.12Å; D505-T544 PolarHBondContact OD2-N 2.55Å
506	D	94.7	Very high	94.6	Very high	76 Å²	76	30.6 Å²	30.6	41%	0.406	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	9.4	-177.1	71.2	-26.8	0	0	0	113.3	L504 R546	L504-D506 VanDerWaalsContact C-N 3.26Å; L504-D506 PolarHBondContact O-N 3.02Å; D506-R546 PolarHBondContact O-NH2 3.03Å; D506-R546 WeakPolarHBondContact OD1-CB 3.45Å; D506-R546 PolarHBondContact OD1-N 3.06Å; D506-R546 WeakPolarHBondContact OD2-CB 3.47Å; D506-R546 PolarHBondContact OD2-N 2.82Å
507	G	94.9	Very high	94.4	Very high	25 Å²	25	29.7 Å²	29.7	26%	0.258	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	149.9	-147.8	173.5	0	0	0	0	0	114.8	L504	L504-G507 CarbonylContact C-O 3.57Å; L504-G507 WeakPolarHBondContact CA-O 3.12Å; L504-G507 WeakPolarHBondContact CB-O 3.28Å; L504-G507 PolarHBondContact N-O 3.21Å; L504-G507 PolarHBondContact O-N 3.37Å; L504-G507 VanDerWaalsContact O-O 3.14Å
508	T	95.8	Very high	94.1	Very high	80 Å²	80	28.2 Å²	28.2	49%	0.491	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150	-178.9	59.7	0	0	0	0	112.3	V501 F502 K503	V501-T508 HydrophobicContact CG1-CG2 4.24Å; F502-T508 CarbonylContact O-C 3.58Å; F502-T508 VanDerWaalsContact O-CA 3.23Å; F502-T508 WeakPolarHBondContact O-CA 3.25Å; K503-T508 HydrophobicContact CG-CG2 3.98Å
509	I	95.8	Very high	93.8	Very high	11 Å²	11	27.7 Å²	27.7	6%	0.056	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	134.2	171.9	-165.5	161.2	0	0	0	110.3	F502 L504 R546 M549 R550 L553	F502-I509 HydrophobicContact CB-CG2 3.86Å; F502-I509 HydrophobicContact CD2-CG2 4.34Å; F502-I509 PolarHBondContact N-O 2.83Å; F502-I509 PolarHBondContact O-N 3.41Å; L504-I509 HydrophobicContact CD1-CB 4.36Å; L504-I509 HydrophobicContact CD1-CG2 3.77Å; L504-I509 HydrophobicContact CG-CG2 4.45Å; I509-R546 HydrophobicContact CD1-CG 4.49Å; I509-M549 HydrophobicContact CG2-CB 4.39Å; I509-M549 HydrophobicContact CG2-CG 3.74Å; I509-R550 HydrophobicContact CD1-CB 3.85Å; I509-R550 HydrophobicContact CD1-CG 4.49Å; I509-L553 HydrophobicContact CD1-CD1 3.69Å; I509-L553 HydrophobicContact CG1-CD1 3.89Å; I509-L553 HydrophobicContact CG2-CD1 4.2Å
510	M	96.5	Very high	93.7	Very high	74 Å²	74	26.6 Å²	26.6	37%	0.365	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	143	177.4	-66	-176.9	-75.6	0	0	109.9	G495 V501	G495-M510 VanDerWaalsContact CA-CE 3.47Å; V501-M510 HydrophobicContact CG2-CG 4.21Å
511	A	96.5	Very high	93.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	178	178.5	0	0	0	0	0	111.4	S498 D499 V500 F502 L516 L553	S498-A511 WeakPolarHBondContact CA-O 3.29Å; S498-A511 WeakPolarHBondContact CB-O 3.25Å; D499-A511 PolarHBondContact N-O 3.03Å; V500-A511 HydrophobicContact CG1-CB 3.95Å; V500-A511 PolarHBondContact N-O 3.41Å; V500-A511 PolarHBondContact O-N 2.72Å; F502-A511 HydrophobicContact CD2-CB 4.09Å; F502-A511 HydrophobicContact CE2-CB 3.8Å; A511-L516 HydrophobicContact CB-CD1 3.97Å; A511-L553 HydrophobicContact CB-CD1 4.11Å; A511-L553 HydrophobicContact CB-CD2 3.88Å
512	H	94.6	Very high	93.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.18	C	C	.	.			trans	-124	108.1	-173.3	-43.3	83.2	0	0	0	109.1	I307 T496 F497 D499 P514 L515 L516 Y557	I307-H512 HydrophobicContact CG1-CB 4.18Å; I307-H512 HydrophobicContact CG2-CB 4.42Å; T496-H512 PolarHBondContact O-NE2 2.98Å; T496-H512 VanDerWaalsContact O-NE2 3.09Å; F497-H512 PolarHBondContact O-CD2 2.98Å; D499-H512 WeakPolarHBondContact OD1-CA 3.38Å; H512-P514 VanDerWaalsContact C-N 3.3Å; H512-L515 HydrophobicContact CB-CB 4.39Å; H512-L515 HydrophobicContact CB-CD1 4.18Å; H512-L515 HydrophobicContact CB-CG 4.3Å; H512-L515 PolarHBondContact O-N 2.66Å; H512-L515 VanDerWaalsContact O-N 3.14Å; H512-L516 WeakPolarHBondContact O-CG 3.16Å; H512-L516 PolarHBondContact O-N 2.75Å; H512-Y557 WeakPolarHBondContact CB-OH 3.47Å; H512-Y557 PolarHBondContact N-OH 2.88Å; H512-Y557 AromaticContact ND1-CE2 3.42Å; H512-Y557 WeakPolarHBondContact ND1-CE2 3.38Å; H512-Y557 AromaticContact ND1-CZ 3.61Å; H512-Y557 PolarHBondContact ND1-OH 3.05Å; H512-Y557 PolarHBondContact O-OH 3.08Å
513	K	92.4	Very high	92.9	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.017	18%	0.18	C	C	.	.	H	α-helix	trans	-50.4	-44.2	-179.9	-60.3	-177.9	-174.3	-163.2	0	112.1	C289 D499 V500 L515 L516 I517 F527 E533 S534 T536	C289-K513 HydrophobicContact CB-CB 4.01Å; D499-K513 PolarHBondContact OD1-N 2.63Å; D499-K513 WeakPolarHBondContact OD2-CB 3.45Å; D499-K513 WeakPolarHBondContact OD2-CG 3.41Å; V500-K513 HydrophobicContact CB-CG 4.01Å; V500-K513 HydrophobicContact CG1-CG 3.92Å; K513-L515 VanDerWaalsContact C-N 3.31Å; K513-L515 PolarHBondContact O-N 2.74Å; K513-L516 WeakPolarHBondContact O-CB 3.4Å; K513-L516 PolarHBondContact O-N 3.25Å; K513-I517 WeakPolarHBondContact O-CG1 3.49Å; K513-I517 WeakPolarHBondContact O-CG2 3.35Å; K513-I517 PolarHBondContact O-N 3.15Å; K513-F527 HydrophobicContact CB-CD2 4.39Å; K513-F527 HydrophobicContact CB-CG 4.36Å; K513-F527 HydrophobicContact CD-CB 4.33Å; K513-F527 HydrophobicContact CD-CD1 3.63Å; K513-F527 HydrophobicContact CD-CE1 4.06Å; K513-F527 HydrophobicContact CD-CG 3.97Å; K513-F527 HydrophobicContact CG-CD1 3.96Å; K513-F527 HydrophobicContact CG-CD2 4.19Å; K513-F527 HydrophobicContact CG-CE1 4.11Å; K513-F527 HydrophobicContact CG-CE2 4.34Å; K513-F527 HydrophobicContact CG-CG 4Å; K513-F527 HydrophobicContact CG-CZ 4.31Å; K513-E533 PolarHBondContact NZ-O 3.41Å; K513-S534 PolarHBondContact NZ-O 3.45Å; K513-T536 PolarHBondContact NZ-O 2.66Å
514	P	91.6	Very high	92.6	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.013	18%	0.177	C	C	.	.	H	α-helix	trans	-59.3	-37.7	-178.8	-26.6	37	0	0	0	114.1	C289 H305 I307 Y308 H512 I517 S518	C289-P514 HydrophobicContact CB-CG 4.28Å; H305-P514 HydrophobicContact CB-CB 4.08Å; H305-P514 HydrophobicContact CB-CG 4.13Å; H305-P514 VanDerWaalsContact CD2-CG 3.41Å; H305-P514 WeakPolarHBondContact CD2-CG 3.29Å; I307-P514 HydrophobicContact CG2-CB 3.94Å; I307-P514 HydrophobicContact CG2-CG 4.08Å; Y308-P514 HydrophobicContact CD2-CB 4.16Å; Y308-P514 HydrophobicContact CE2-CB 3.97Å; H512-P514 VanDerWaalsContact C-N 3.3Å; P514-I517 WeakPolarHBondContact O-CG1 3.43Å; P514-S518 WeakPolarHBondContact O-CB 3.41Å; P514-S518 PolarHBondContact O-N 2.91Å; P514-S518 PolarHBondContact O-OG 3.47Å
515	L	91.6	Very high	92.2	Very high	8 Å²	8	33.3 Å²	33.3	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-77.9	-22.7	177.7	-65.2	178.4	0	0	0	112.8	I307 Y308 V488 H512 K513 S518 S519 Y557	I307-L515 HydrophobicContact CG1-CD1 3.72Å; I307-L515 HydrophobicContact CG1-CG 4.15Å; I307-L515 HydrophobicContact CG2-CG 4.24Å; Y308-L515 HydrophobicContact CD2-CD2 4.31Å; Y308-L515 HydrophobicContact CE1-CD2 4.24Å; Y308-L515 HydrophobicContact CE2-CD2 3.75Å; V488-L515 HydrophobicContact CG1-CD1 4.05Å; H512-L515 HydrophobicContact CB-CB 4.39Å; H512-L515 HydrophobicContact CB-CD1 4.18Å; H512-L515 HydrophobicContact CB-CG 4.3Å; H512-L515 PolarHBondContact O-N 2.66Å; H512-L515 VanDerWaalsContact O-N 3.14Å; K513-L515 VanDerWaalsContact C-N 3.31Å; K513-L515 PolarHBondContact O-N 2.74Å; L515-S518 PolarHBondContact O-OG 3.14Å; L515-S518 VanDerWaalsContact O-OG 3.07Å; L515-S519 PolarHBondContact O-OG 2.69Å; L515-Y557 HydrophobicContact CB-CD1 3.76Å; L515-Y557 HydrophobicContact CB-CE1 3.34Å; L515-Y557 HydrophobicContact CB-CE2 4.44Å; L515-Y557 HydrophobicContact CB-CG 4.47Å; L515-Y557 HydrophobicContact CD1-CD1 4.24Å; L515-Y557 HydrophobicContact CD1-CD2 3.86Å; L515-Y557 HydrophobicContact CD1-CE1 4.07Å; L515-Y557 HydrophobicContact CD1-CE2 3.65Å; L515-Y557 HydrophobicContact CD1-CG 4.15Å; L515-Y557 HydrophobicContact CG-CE1 4.36Å
516	L	92.6	Very high	92	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-79	-48.9	178.1	-66	174	0	0	0	110.9	V500 F502 A511 H512 K513 S518 S519 C520 M523 F527 L553 L556 Y557	V500-L516 HydrophobicContact CG1-CD1 4.23Å; F502-L516 HydrophobicContact CE2-CD1 3.86Å; F502-L516 HydrophobicContact CZ-CD1 3.99Å; A511-L516 HydrophobicContact CB-CD1 3.97Å; H512-L516 WeakPolarHBondContact O-CG 3.16Å; H512-L516 PolarHBondContact O-N 2.75Å; K513-L516 WeakPolarHBondContact O-CB 3.4Å; K513-L516 PolarHBondContact O-N 3.25Å; L516-S518 VanDerWaalsContact C-N 3.26Å; L516-S518 PolarHBondContact O-N 3.22Å; L516-S519 PolarHBondContact O-N 3.14Å; L516-S519 VanDerWaalsContact O-N 3.16Å; L516-C520 PolarHBondContact O-N 3.24Å; L516-M523 HydrophobicContact CB-CB 4.06Å; L516-M523 HydrophobicContact CB-CG 4.45Å; L516-M523 HydrophobicContact CB-SD 3.58Å; L516-M523 VanDerWaalsContact CB-SD 3.58Å; L516-M523 HydrophobicContact CD1-SD 3.97Å; L516-M523 HydrophobicContact CD2-CE 4.28Å; L516-M523 HydrophobicContact CD2-SD 3.45Å; L516-M523 WeakPolarHBondContact CD2-SD 3.3Å; L516-M523 HydrophobicContact CG-SD 3.81Å; L516-F527 HydrophobicContact CD1-CE2 3.87Å; L516-L553 HydrophobicContact CD2-CD2 3.36Å; L516-L556 HydrophobicContact CD2-CD1 3.91Å; L516-Y557 HydrophobicContact CD2-CE1 3.74Å; L516-Y557 HydrophobicContact CG-CE1 4.27Å
517	I	89.9	Confident	91.7	Very high	12 Å²	12	26.3 Å²	26.3	6%	0.062	16%	0.157	C	C	.	.	H	α-helix	trans	-67.3	-27.7	-178.9	68.6	-179.4	0	0	0	112.2	L283 H288 C289 K513 P514 S519 A524 F527	L283-I517 HydrophobicContact CD2-CD1 3.68Å; L283-I517 HydrophobicContact CD2-CG1 4.02Å; H288-I517 HydrophobicContact CB-CD1 3.76Å; H288-I517 WeakPolarHBondContact O-CD1 3.32Å; C289-I517 HydrophobicContact CB-CD1 4.32Å; K513-I517 WeakPolarHBondContact O-CG1 3.49Å; K513-I517 WeakPolarHBondContact O-CG2 3.35Å; K513-I517 PolarHBondContact O-N 3.15Å; P514-I517 WeakPolarHBondContact O-CG1 3.43Å; I517-S519 VanDerWaalsContact C-N 3.27Å; I517-S519 PolarHBondContact O-N 3.16Å; I517-A524 HydrophobicContact CB-CB 4.03Å; I517-A524 HydrophobicContact CG2-CB 4.47Å; I517-F527 HydrophobicContact CG2-CB 3.75Å; I517-F527 HydrophobicContact CG2-CD2 4.07Å; I517-F527 HydrophobicContact CG2-CG 4.41Å
518	S	87.4	Confident	90.9	Very high	6 Å²	6	26.1 Å²	26.1	4%	0.042	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-23.2	175.4	65.6	0	0	0	0	113.6	H279 Y308 P514 L515 L516	H279-S518 VanDerWaalsContact CB-O 3.29Å; H279-S518 WeakPolarHBondContact CB-O 3.46Å; Y308-S518 VanDerWaalsContact OH-CB 3.28Å; Y308-S518 WeakPolarHBondContact OH-CB 3.45Å; Y308-S518 PolarHBondContact OH-OG 2.97Å; Y308-S518 VanDerWaalsContact OH-OG 3.07Å; P514-S518 WeakPolarHBondContact O-CB 3.41Å; P514-S518 PolarHBondContact O-N 2.91Å; P514-S518 PolarHBondContact O-OG 3.47Å; L515-S518 PolarHBondContact O-OG 3.14Å; L515-S518 VanDerWaalsContact O-OG 3.07Å; L516-S518 VanDerWaalsContact C-N 3.26Å; L516-S518 PolarHBondContact O-N 3.22Å
519	S	87.6	Confident	89.9	Confident	26 Å²	26	23.1 Å²	23.1	18%	0.182	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-8.7	-167.1	-57.4	0	0	0	0	113.5	L515 L516 I517 L556	L515-S519 PolarHBondContact O-OG 2.69Å; L516-S519 PolarHBondContact O-N 3.14Å; L516-S519 VanDerWaalsContact O-N 3.16Å; I517-S519 VanDerWaalsContact C-N 3.27Å; I517-S519 PolarHBondContact O-N 3.16Å; S519-L556 VanDerWaalsContact CB-O 3.28Å; S519-L556 WeakPolarHBondContact CB-O 3.4Å; S519-L556 WeakPolarHBondContact O-CD2 3.13Å; S519-L556 PolarHBondContact OG-O 3.41Å
520	C	90.5	Very high	88.9	Confident	3 Å²	3	28.9 Å²	28.9	2%	0.02	18%	0.178	C	C	.	.			trans	-148.4	112.1	-175	179.4	0	0	0	0	111.5	L516 W522 M523 A524 L556	L516-C520 PolarHBondContact O-N 3.24Å; C520-W522 PolarHBondContact O-N 2.63Å; C520-M523 HydrophobicContact CB-CB 4.07Å; C520-M523 HydrophobicContact CB-CG 4.14Å; C520-M523 HydrophobicContact CB-SD 4.25Å; C520-M523 PolarHBondContact O-N 3Å; C520-A524 PolarHBondContact O-N 3.1Å; C520-L556 HydrophobicContact CB-CD1 4.07Å; C520-L556 HydrophobicContact CB-CD2 3.86Å
521	D	88.5	Confident	88.3	Confident	110 Å²	110	30.8 Å²	30.8	59%	0.588	19%	0.185	S	C	*	.	H	α-helix	trans	-58.3	-36.5	179.6	-60.3	-14.2	0	0	0	112.7	M523 A524 A525	D521-M523 VanDerWaalsContact C-N 3.33Å; D521-M523 PolarHBondContact O-N 3.21Å; D521-A524 WeakPolarHBondContact O-CB 3.38Å; D521-A524 PolarHBondContact O-N 3.09Å; D521-A525 WeakPolarHBondContact O-CB 3.48Å; D521-A525 PolarHBondContact O-N 3.11Å
522	W	90.8	Very high	87.6	Confident	72 Å²	72	36 Å²	36	27%	0.273	22%	0.216	S	C	.	.	H	α-helix	trans	-62.1	-42.8	176.7	-172.5	98	0	0	0	111.3	C520 A525 M526 L541 L579	C520-W522 PolarHBondContact O-N 2.63Å; W522-A525 PolarHBondContact O-N 3.27Å; W522-M526 HydrophobicContact CE3-CE 4.44Å; W522-M526 HydrophobicContact CH2-CE 3.09Å; W522-M526 HydrophobicContact CH2-SD 3.98Å; W522-M526 HydrophobicContact CZ2-CE 3.88Å; W522-M526 HydrophobicContact CZ3-CB 4.49Å; W522-M526 HydrophobicContact CZ3-CE 3.42Å; W522-M526 VanDerWaalsContact CZ3-CE 3.42Å; W522-M526 HydrophobicContact CZ3-SD 3.65Å; W522-M526 PolarHBondContact O-N 3.07Å; W522-L541 HydrophobicContact CH2-CD2 4.23Å; W522-L579 HydrophobicContact CD2-CD2 3.86Å; W522-L579 HydrophobicContact CE3-CD2 3.53Å; W522-L579 HydrophobicContact CG-CD2 4.47Å; W522-L579 HydrophobicContact CH2-CD2 4.23Å; W522-L579 HydrophobicContact CZ3-CD2 3.74Å
523	M	91.8	Very high	87.3	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-74.3	-33.6	176.8	-67.1	-178.2	176	0	0	111.7	L516 C520 D521 A525 M526 F527 M549 L556 L579	L516-M523 HydrophobicContact CB-CB 4.06Å; L516-M523 HydrophobicContact CB-CG 4.45Å; L516-M523 HydrophobicContact CB-SD 3.58Å; L516-M523 VanDerWaalsContact CB-SD 3.58Å; L516-M523 HydrophobicContact CD1-SD 3.97Å; L516-M523 HydrophobicContact CD2-CE 4.28Å; L516-M523 HydrophobicContact CD2-SD 3.45Å; L516-M523 WeakPolarHBondContact CD2-SD 3.3Å; L516-M523 HydrophobicContact CG-SD 3.81Å; C520-M523 HydrophobicContact CB-CB 4.07Å; C520-M523 HydrophobicContact CB-CG 4.14Å; C520-M523 HydrophobicContact CB-SD 4.25Å; C520-M523 PolarHBondContact O-N 3Å; D521-M523 VanDerWaalsContact C-N 3.33Å; D521-M523 PolarHBondContact O-N 3.21Å; M523-A525 VanDerWaalsContact C-N 3.34Å; M523-M526 PolarHBondContact O-N 3.06Å; M523-F527 HydrophobicContact CB-CD2 4.22Å; M523-F527 HydrophobicContact CB-CE2 4.32Å; M523-F527 WeakPolarHBondContact O-CB 3.32Å; M523-F527 VanDerWaalsContact O-CD2 3.29Å; M523-F527 WeakPolarHBondContact O-CD2 3.4Å; M523-F527 PolarHBondContact O-N 3.11Å; M523-M549 HydrophobicContact CE-CE 3.98Å; M523-L556 HydrophobicContact CE-CD1 4.08Å; M523-L556 HydrophobicContact SD-CD1 3.78Å; M523-L579 HydrophobicContact CE-CD1 4.09Å; M523-L579 HydrophobicContact CE-CD2 4.15Å
524	A	89.6	Confident	86.8	Confident	32 Å²	32	39.6 Å²	39.6	26%	0.264	23%	0.234	S	C	.	.	H	α-helix	trans	-59.7	-44.2	171.4	0	0	0	0	0	111.4	I517 C520 D521 G528	I517-A524 HydrophobicContact CB-CB 4.03Å; I517-A524 HydrophobicContact CG2-CB 4.47Å; C520-A524 PolarHBondContact O-N 3.1Å; D521-A524 WeakPolarHBondContact O-CB 3.38Å; D521-A524 PolarHBondContact O-N 3.09Å; A524-G528 VanDerWaalsContact O-CA 3.3Å; A524-G528 WeakPolarHBondContact O-CA 3.42Å; A524-G528 PolarHBondContact O-N 2.89Å
525	A	88.9	Confident	86.3	Confident	57 Å²	57	43.7 Å²	43.7	47%	0.471	26%	0.262	S	S	.	.	H	α-helix	trans	-64	-43.5	174.5	0	0	0	0	0	112.1	D521 W522 M523 G529 F531	D521-A525 WeakPolarHBondContact O-CB 3.48Å; D521-A525 PolarHBondContact O-N 3.11Å; W522-A525 PolarHBondContact O-N 3.27Å; M523-A525 VanDerWaalsContact C-N 3.34Å; A525-G529 PolarHBondContact O-N 3.21Å; A525-F531 VanDerWaalsContact O-CD2 3.29Å; A525-F531 WeakPolarHBondContact O-CD2 3.49Å
526	M	89.1	Confident	85.9	Confident	24 Å²	24	45.5 Å²	45.5	12%	0.118	27%	0.274	C	S	.	.	H	α-helix	trans	-62.9	-45.7	179.2	173.4	174.1	-83.1	0	0	112.9	W522 M523 E533 V539	W522-M526 HydrophobicContact CE3-CE 4.44Å; W522-M526 HydrophobicContact CH2-CE 3.09Å; W522-M526 HydrophobicContact CH2-SD 3.98Å; W522-M526 HydrophobicContact CZ2-CE 3.88Å; W522-M526 HydrophobicContact CZ3-CB 4.49Å; W522-M526 HydrophobicContact CZ3-CE 3.42Å; W522-M526 VanDerWaalsContact CZ3-CE 3.42Å; W522-M526 HydrophobicContact CZ3-SD 3.65Å; W522-M526 PolarHBondContact O-N 3.07Å; M523-M526 PolarHBondContact O-N 3.06Å; M526-E533 HydrophobicContact CE-CG 4.12Å; M526-E533 HydrophobicContact CG-CB 3.5Å; M526-E533 VanDerWaalsContact CG-CB 3.5Å; M526-E533 HydrophobicContact CG-CG 3.92Å; M526-E533 HydrophobicContact SD-CB 4.2Å; M526-E533 HydrophobicContact SD-CG 4.13Å; M526-V539 HydrophobicContact CE-CG1 4.37Å; M526-V539 HydrophobicContact SD-CG1 4.06Å
527	F	89.6	Confident	85.7	Confident	5 Å²	5	53.4 Å²	53.4	2%	0.022	31%	0.308	C	S	.	.	H	α-helix	trans	-96.9	-23.7	-172.8	-65.4	-56.2	0	0	0	114.4	V500 F502 K513 L516 I517 M523 E533 S534 V539	V500-F527 HydrophobicContact CG1-CZ 4.37Å; V500-F527 HydrophobicContact CG2-CE1 4.04Å; V500-F527 HydrophobicContact CG2-CZ 3.99Å; F502-F527 HydrophobicContact CE1-CZ 4.27Å; F502-F527 HydrophobicContact CZ-CE2 4.23Å; F502-F527 AromaticContact CZ-CZ 3.92Å; F502-F527 HydrophobicContact CZ-CZ 3.92Å; K513-F527 HydrophobicContact CB-CD2 4.39Å; K513-F527 HydrophobicContact CB-CG 4.36Å; K513-F527 HydrophobicContact CD-CB 4.33Å; K513-F527 HydrophobicContact CD-CD1 3.63Å; K513-F527 HydrophobicContact CD-CE1 4.06Å; K513-F527 HydrophobicContact CD-CG 3.97Å; K513-F527 HydrophobicContact CG-CD1 3.96Å; K513-F527 HydrophobicContact CG-CD2 4.19Å; K513-F527 HydrophobicContact CG-CE1 4.11Å; K513-F527 HydrophobicContact CG-CE2 4.34Å; K513-F527 HydrophobicContact CG-CG 4Å; K513-F527 HydrophobicContact CG-CZ 4.31Å; L516-F527 HydrophobicContact CD1-CE2 3.87Å; I517-F527 HydrophobicContact CG2-CB 3.75Å; I517-F527 HydrophobicContact CG2-CD2 4.07Å; I517-F527 HydrophobicContact CG2-CG 4.41Å; M523-F527 HydrophobicContact CB-CD2 4.22Å; M523-F527 HydrophobicContact CB-CE2 4.32Å; M523-F527 WeakPolarHBondContact O-CB 3.32Å; M523-F527 VanDerWaalsContact O-CD2 3.29Å; M523-F527 WeakPolarHBondContact O-CD2 3.4Å; M523-F527 PolarHBondContact O-N 3.11Å; F527-E533 WeakPolarHBondContact CD1-O 3.33Å; F527-E533 HydrophobicContact CE1-CB 4.49Å; F527-S534 VanDerWaalsContact O-CB 3.27Å; F527-S534 WeakPolarHBondContact O-CB 3.49Å; F527-V539 HydrophobicContact CE1-CG2 3.98Å; F527-V539 HydrophobicContact CZ-CG2 4.28Å
528	G	78.6	Confident	85.9	Confident	21 Å²	21	57.8 Å²	57.8	22%	0.216	33%	0.328	C	S	.	.	H	α-helix	trans	-92	-16.8	-179.7	0	0	0	0	0	114.7	A524	A524-G528 VanDerWaalsContact O-CA 3.3Å; A524-G528 WeakPolarHBondContact O-CA 3.42Å; A524-G528 PolarHBondContact O-N 2.89Å
529	G	73.6	Confident	86.2	Confident	17 Å²	17	57.8 Å²	57.8	18%	0.175	33%	0.328	C	S	.	.	S	Bend	trans	-89.3	-177.5	-179.4	0	0	0	0	0	114.6	A525 F531 S534	A525-G529 PolarHBondContact O-N 3.21Å; G529-F531 PolarHBondContact O-N 3.14Å; G529-S534 WeakPolarHBondContact O-CB 3.4Å
530	P	75.3	Confident	86.5	Confident	133 Å²	133	62.5 Å²	62.5	86%	0.864	35%	0.351	S	S	*	.	S	Bend	trans	-75.1	18.3	177.4	34.6	-37.5	0	0	0	113.4
531	F	82.9	Confident	86.6	Confident	114 Å²	114	62.5 Å²	62.5	50%	0.5	35%	0.35	S	S	.	.	S	Bend	trans	-75.7	153.1	-178.1	-64.5	-78.6	0	0	0	110.9	A525 G529 E533 S534	A525-F531 VanDerWaalsContact O-CD2 3.29Å; A525-F531 WeakPolarHBondContact O-CD2 3.49Å; G529-F531 PolarHBondContact O-N 3.14Å; F531-E533 WeakPolarHBondContact CB-OE2 3.46Å; F531-E533 PolarHBondContact O-N 3.07Å; F531-S534 WeakPolarHBondContact O-CB 3.37Å; F531-S534 PolarHBondContact O-N 3.28Å; F531-S534 VanDerWaalsContact O-N 3.08Å; F531-S534 PolarHBondContact O-OG 3.21Å
532	V	83.7	Confident	86.8	Confident	108 Å²	108	60.4 Å²	60.4	66%	0.655	34%	0.343	S	S	*	.	H	α-helix	trans	-59.4	-32.5	-179	175.9	0	0	0	0	110.8	S534 C535 T536	V532-S534 PolarHBondContact O-N 3.19Å; V532-C535 PolarHBondContact O-N 3.36Å; V532-C535 VanDerWaalsContact O-N 3.1Å; V532-T536 HydrophobicContact CG1-CG2 3.69Å; V532-T536 WeakPolarHBondContact O-CG2 3.29Å; V532-T536 PolarHBondContact O-N 2.98Å; V532-T536 VanDerWaalsContact O-N 3.07Å; V532-T536 PolarHBondContact O-OG1 3.13Å
533	E	86.8	Confident	86.7	Confident	65 Å²	65	63.6 Å²	63.6	30%	0.304	37%	0.365	S	S	.	.	H	α-helix	trans	-59.2	-28	178.6	-68.4	85.9	165.3	0	0	113.7	K513 M526 F527 F531 C535 T536 V539	K513-E533 PolarHBondContact NZ-O 3.41Å; M526-E533 HydrophobicContact CE-CG 4.12Å; M526-E533 HydrophobicContact CG-CB 3.5Å; M526-E533 VanDerWaalsContact CG-CB 3.5Å; M526-E533 HydrophobicContact CG-CG 3.92Å; M526-E533 HydrophobicContact SD-CB 4.2Å; M526-E533 HydrophobicContact SD-CG 4.13Å; F527-E533 WeakPolarHBondContact CD1-O 3.33Å; F527-E533 HydrophobicContact CE1-CB 4.49Å; F531-E533 WeakPolarHBondContact CB-OE2 3.46Å; F531-E533 PolarHBondContact O-N 3.07Å; E533-C535 VanDerWaalsContact C-N 3.31Å; E533-C535 PolarHBondContact O-N 3.36Å; E533-T536 VanDerWaalsContact CA-OG1 3.27Å; E533-T536 WeakPolarHBondContact CA-OG1 3.34Å; E533-T536 PolarHBondContact O-OG1 3.25Å; E533-V539 HydrophobicContact CB-CG2 4.38Å; E533-V539 HydrophobicContact CG-CG1 4.39Å; E533-V539 HydrophobicContact CG-CG2 4.22Å
534	S	83.1	Confident	86.9	Confident	16 Å²	16	63.9 Å²	63.9	11%	0.112	37%	0.367	C	S	.	.	H	α-helix	trans	-60.5	-40.2	175	67.6	0	0	0	0	111.8	K513 F527 G529 F531 V532	K513-S534 PolarHBondContact NZ-O 3.45Å; F527-S534 VanDerWaalsContact O-CB 3.27Å; F527-S534 WeakPolarHBondContact O-CB 3.49Å; G529-S534 WeakPolarHBondContact O-CB 3.4Å; F531-S534 WeakPolarHBondContact O-CB 3.37Å; F531-S534 PolarHBondContact O-N 3.28Å; F531-S534 VanDerWaalsContact O-N 3.08Å; F531-S534 PolarHBondContact O-OG 3.21Å; V532-S534 PolarHBondContact O-N 3.19Å
535	C	79.6	Confident	87.2	Confident	89 Å²	89	63.7 Å²	63.7	60%	0.601	36%	0.362	S	S	*	.	H	α-helix	trans	-98	-18.1	-176.9	-58.9	0	0	0	0	113.9	V532 E533	V532-C535 PolarHBondContact O-N 3.36Å; V532-C535 VanDerWaalsContact O-N 3.1Å; E533-C535 VanDerWaalsContact C-N 3.31Å; E533-C535 PolarHBondContact O-N 3.36Å
536	T	84.9	Confident	87.4	Confident	45 Å²	45	65.5 Å²	65.5	28%	0.276	36%	0.357	S	S	.	.			trans	-79	148	178.8	54.6	0	0	0	0	112.8	K513 V532 E533	K513-T536 PolarHBondContact NZ-O 2.66Å; V532-T536 HydrophobicContact CG1-CG2 3.69Å; V532-T536 WeakPolarHBondContact O-CG2 3.29Å; V532-T536 PolarHBondContact O-N 2.98Å; V532-T536 VanDerWaalsContact O-N 3.07Å; V532-T536 PolarHBondContact O-OG1 3.13Å; E533-T536 VanDerWaalsContact CA-OG1 3.27Å; E533-T536 WeakPolarHBondContact CA-OG1 3.34Å; E533-T536 PolarHBondContact O-OG1 3.25Å
537	K	87.6	Confident	87.7	Confident	167 Å²	167	65 Å²	65	73%	0.726	36%	0.356	S	S	*	.	S	Bend	trans	-87.9	-15.8	171.1	-67.3	-173.8	177	-175.6	0	113.2	V500 V501	V500-K537 CarbonylContact C-O 3.55Å; V500-K537 WeakPolarHBondContact CA-O 3.44Å; V501-K537 PolarHBondContact N-O 2.94Å
538	E	94.3	Very high	87.9	Confident	103 Å²	103	64.9 Å²	64.9	48%	0.481	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.6	-178.2	-61.6	-173.3	149.4	0	0	110.3	V501 K503	V501-E538 HydrophobicContact CB-CG 4.43Å; V501-E538 CarbonylContact O-C 3.59Å; V501-E538 VanDerWaalsContact O-CA 3.27Å; V501-E538 WeakPolarHBondContact O-CA 3.4Å; K503-E538 VanDerWaalsContact CE-CD 3.47Å; K503-E538 WeakPolarHBondContact CE-OE1 3.35Å; K503-E538 VanDerWaalsContact CE-OE2 3.24Å; K503-E538 WeakPolarHBondContact CE-OE2 3.33Å; K503-E538 VanDerWaalsContact NZ-CD 3.27Å; K503-E538 IonicContact NZ-OE1 3.74Å; K503-E538 PolarHBondContact NZ-OE1 3.11Å; K503-E538 IonicContact NZ-OE2 3.86Å; K503-E538 PolarHBondContact NZ-OE2 3.49Å
539	V	94.2	Very high	88.7	Confident	6 Å²	6	63.9 Å²	63.9	4%	0.036	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.1	178.2	178.2	0	0	0	0	109.2	V500 V501 F502 K503 M526 F527 E533	V500-V539 HydrophobicContact CG2-CB 4.5Å; V500-V539 HydrophobicContact CG2-CG2 3.84Å; V501-V539 PolarHBondContact O-N 3.18Å; F502-V539 CarbonylContact C-O 3.6Å; F502-V539 WeakPolarHBondContact CA-O 3.26Å; F502-V539 HydrophobicContact CD1-CB 3.78Å; F502-V539 HydrophobicContact CD1-CG1 3.98Å; F502-V539 HydrophobicContact CE1-CB 3.88Å; F502-V539 HydrophobicContact CE1-CG1 3.89Å; F502-V539 HydrophobicContact CE1-CG2 4.48Å; K503-V539 PolarHBondContact N-O 3.05Å; M526-V539 HydrophobicContact CE-CG1 4.37Å; M526-V539 HydrophobicContact SD-CG1 4.06Å; F527-V539 HydrophobicContact CE1-CG2 3.98Å; F527-V539 HydrophobicContact CZ-CG2 4.28Å; E533-V539 HydrophobicContact CB-CG2 4.38Å; E533-V539 HydrophobicContact CG-CG1 4.39Å; E533-V539 HydrophobicContact CG-CG2 4.22Å
540	L	93.4	Very high	89.7	Confident	126 Å²	126	66.8 Å²	66.8	66%	0.66	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	124.1	177.7	-59.6	178.1	0	0	0	110	K503	K503-L540 HydrophobicContact CB-CD2 3.57Å; K503-L540 HydrophobicContact CD-CD2 3.6Å; K503-L540 HydrophobicContact CG-CD2 4.15Å
541	L	92.4	Very high	90.7	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.016	31%	0.31	C	S	.	.			trans	-123.9	86.1	171.4	-72.2	178	0	0	0	109.2	F502 K503 L504 W522 M549	F502-L541 HydrophobicContact CB-CD1 4.49Å; F502-L541 HydrophobicContact CD1-CD1 3.36Å; F502-L541 HydrophobicContact CD1-CG 3.85Å; F502-L541 HydrophobicContact CE1-CD1 3.69Å; F502-L541 HydrophobicContact CE1-CG 4.3Å; F502-L541 HydrophobicContact CG-CD1 4.05Å; K503-L541 PolarHBondContact O-N 3.11Å; L504-L541 HydrophobicContact CD2-CB 3.91Å; W522-L541 HydrophobicContact CH2-CD2 4.23Å; L541-M549 HydrophobicContact CD1-CE 3.94Å; L541-M549 HydrophobicContact CD1-SD 4.1Å
542	P	91.6	Very high	91.3	Very high	65 Å²	65	55 Å²	55	42%	0.422	29%	0.286	S	S	.	.			trans	-71.5	157.8	178.7	30.6	-35.7	0	0	0	111.5	T544 R578	P542-T544 VanDerWaalsContact C-N 3.34Å; P542-R578 PolarHBondContact O-NH1 3.15Å; P542-R578 VanDerWaalsContact O-NH1 3.12Å
543	N	90.4	Very high	91.8	Very high	139 Å²	139	49.9 Å²	49.9	74%	0.743	26%	0.255	S	S	*	.	S	Bend	trans	60.5	44	-177.1	-51.4	-44.8	0	0	0	111.3	D505	D505-N543 PolarHBondContact OD1-N 3.08Å; D505-N543 VanDerWaalsContact OD1-N 3.12Å; D505-N543 VanDerWaalsContact OD2-C 3.27Å; D505-N543 WeakPolarHBondContact OD2-CA 3.32Å; D505-N543 PolarHBondContact OD2-N 3.07Å
544	T	94.9	Very high	92.1	Very high	7 Å²	7	48.3 Å²	48.3	4%	0.043	25%	0.247	C	C	.	.			trans	-149	127.3	-178.7	-62	0	0	0	0	109.4	L504 D505 P542 M549 L575	L504-T544 WeakPolarHBondContact CB-O 3.36Å; L504-T544 HydrophobicContact CD2-CG2 3.98Å; D505-T544 PolarHBondContact N-O 3.36Å; D505-T544 VanDerWaalsContact N-O 3.12Å; D505-T544 PolarHBondContact OD2-N 2.55Å; P542-T544 VanDerWaalsContact C-N 3.34Å; T544-M549 HydrophobicContact CG2-CB 4Å; T544-L575 HydrophobicContact CG2-CD1 4.1Å; T544-L575 HydrophobicContact CG2-CD2 3.65Å; T544-L575 HydrophobicContact CG2-CG 4.46Å
545	T	95.4	Very high	92.5	Very high	27 Å²	27	48.3 Å²	48.3	17%	0.166	25%	0.245	C	C	.	.			trans	-89	157.3	176.2	54	0	0	0	0	111.5	S547 C548 M549 E571	T545-S547 VanDerWaalsContact C-N 3.28Å; T545-S547 PolarHBondContact O-N 3.45Å; T545-S547 PolarHBondContact OG1-OG 3.46Å; T545-C548 PolarHBondContact O-N 2.83Å; T545-C548 PolarHBondContact OG1-SG 3.37Å; T545-C548 VanDerWaalsContact OG1-SG 3.34Å; T545-M549 PolarHBondContact O-N 2.74Å; T545-E571 WeakPolarHBondContact CG2-OE2 3.43Å; T545-E571 PolarHBondContact OG1-OE2 3.27Å
546	R	94.4	Very high	93.1	Very high	95 Å²	95	44.3 Å²	44.3	36%	0.358	22%	0.218	S	C	.	.	H	α-helix	trans	-62.9	-33.9	177.9	-163.2	-170.5	-47.9	170.7	3.7	112.6	L504 D506 I509 R550	L504-R546 HydrophobicContact CD1-CB 4.14Å; L504-R546 HydrophobicContact CD1-CG 4.36Å; D506-R546 PolarHBondContact O-NH2 3.03Å; D506-R546 WeakPolarHBondContact OD1-CB 3.45Å; D506-R546 PolarHBondContact OD1-N 3.06Å; D506-R546 WeakPolarHBondContact OD2-CB 3.47Å; D506-R546 PolarHBondContact OD2-N 2.82Å; I509-R546 HydrophobicContact CD1-CG 4.49Å; R546-R550 WeakPolarHBondContact O-CB 3.44Å; R546-R550 PolarHBondContact O-N 3.33Å
547	S	94.5	Very high	93.4	Very high	15 Å²	15	43.5 Å²	43.5	11%	0.105	21%	0.21	C	C	.	.	H	α-helix	trans	-65.8	-47.6	177.2	56.1	0	0	0	0	111.2	T545 R550 A551 D566	T545-S547 VanDerWaalsContact C-N 3.28Å; T545-S547 PolarHBondContact O-N 3.45Å; T545-S547 PolarHBondContact OG1-OG 3.46Å; S547-R550 PolarHBondContact O-N 3.41Å; S547-A551 PolarHBondContact O-N 3.33Å; S547-D566 WeakPolarHBondContact CB-O 3.26Å; S547-D566 PolarHBondContact OG-O 2.67Å
548	C	95.3	Very high	93.3	Very high	1 Å²	1	37 Å²	37	1%	0.007	18%	0.183	C	C	.	.	H	α-helix	trans	-64.5	-46.2	176.6	-68.4	0	0	0	0	112.3	T545 R550 A551 V552 E571 L572 L575	T545-C548 PolarHBondContact O-N 2.83Å; T545-C548 PolarHBondContact OG1-SG 3.37Å; T545-C548 VanDerWaalsContact OG1-SG 3.34Å; C548-R550 VanDerWaalsContact C-N 3.31Å; C548-R550 PolarHBondContact O-N 3.1Å; C548-A551 WeakPolarHBondContact O-CB 3.48Å; C548-A551 PolarHBondContact O-N 2.82Å; C548-A551 VanDerWaalsContact O-N 3.17Å; C548-V552 PolarHBondContact O-N 3.31Å; C548-E571 VanDerWaalsContact SG-CB 3.55Å; C548-L572 HydrophobicContact CB-CD1 4.49Å; C548-L575 HydrophobicContact CB-CD2 4.06Å
549	M	95.4	Very high	92.8	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.1	-37.9	178	-171	58.7	-177	0	0	111.7	F502 L504 I509 M523 L541 T544 T545 V552 L553 L575	F502-M549 HydrophobicContact CD1-CE 4.25Å; F502-M549 HydrophobicContact CD2-CE 3.49Å; F502-M549 VanDerWaalsContact CD2-CE 3.49Å; F502-M549 HydrophobicContact CE1-CE 4.26Å; F502-M549 HydrophobicContact CE2-CE 3.48Å; F502-M549 VanDerWaalsContact CE2-CE 3.48Å; F502-M549 HydrophobicContact CG-CE 3.88Å; F502-M549 HydrophobicContact CZ-CE 3.88Å; L504-M549 HydrophobicContact CD1-CB 3.61Å; L504-M549 HydrophobicContact CD1-CG 4.05Å; L504-M549 HydrophobicContact CD2-CB 4.27Å; L504-M549 HydrophobicContact CD2-CG 4.26Å; I509-M549 HydrophobicContact CG2-CB 4.39Å; I509-M549 HydrophobicContact CG2-CG 3.74Å; M523-M549 HydrophobicContact CE-CE 3.98Å; L541-M549 HydrophobicContact CD1-CE 3.94Å; L541-M549 HydrophobicContact CD1-SD 4.1Å; T544-M549 HydrophobicContact CG2-CB 4Å; T545-M549 PolarHBondContact O-N 2.74Å; M549-V552 PolarHBondContact O-N 3.44Å; M549-L553 HydrophobicContact CE-CD2 4.03Å; M549-L553 HydrophobicContact CE-CG 4.23Å; M549-L553 HydrophobicContact CG-CD1 4.46Å; M549-L553 WeakPolarHBondContact O-CG 3.25Å; M549-L553 PolarHBondContact O-N 2.62Å; M549-L575 HydrophobicContact SD-CD2 4.35Å
550	R	94.3	Very high	92.3	Very high	78 Å²	78	42.9 Å²	42.9	29%	0.294	21%	0.213	S	C	.	.	H	α-helix	trans	-61	-44.3	173	179.1	172	-69.7	146.5	-3.6	111.7	I509 R546 S547 C548 V552 L553 E554	I509-R550 HydrophobicContact CD1-CB 3.85Å; I509-R550 HydrophobicContact CD1-CG 4.49Å; R546-R550 WeakPolarHBondContact O-CB 3.44Å; R546-R550 PolarHBondContact O-N 3.33Å; S547-R550 PolarHBondContact O-N 3.41Å; C548-R550 VanDerWaalsContact C-N 3.31Å; C548-R550 PolarHBondContact O-N 3.1Å; R550-V552 VanDerWaalsContact C-N 3.29Å; R550-V552 PolarHBondContact O-N 3.03Å; R550-L553 PolarHBondContact O-N 3.49Å; R550-E554 HydrophobicContact CG-CG 4.22Å; R550-E554 WeakPolarHBondContact CG-OE1 3.14Å; R550-E554 VanDerWaalsContact O-CB 3.3Å; R550-E554 WeakPolarHBondContact O-CB 3.46Å; R550-E554 WeakPolarHBondContact O-CG 3.47Å; R550-E554 PolarHBondContact O-N 3.29Å
551	A	95	Very high	92.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.8	-38.5	177.1	0	0	0	0	0	112.1	S547 C548 Y555 L567 L572	S547-A551 PolarHBondContact O-N 3.33Å; C548-A551 WeakPolarHBondContact O-CB 3.48Å; C548-A551 PolarHBondContact O-N 2.82Å; C548-A551 VanDerWaalsContact O-N 3.17Å; A551-Y555 VanDerWaalsContact O-CB 3.3Å; A551-Y555 WeakPolarHBondContact O-CB 3.44Å; A551-Y555 PolarHBondContact O-N 3.25Å; A551-L567 HydrophobicContact CB-CD1 3.97Å; A551-L572 HydrophobicContact CB-CD1 4.11Å; A551-L572 HydrophobicContact CB-CD2 4.16Å
552	V	95.6	Very high	91.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.4	-49.9	172.6	170.4	0	0	0	0	111.5	C548 M549 R550 E554 Y555 L556 L572 L575 L579 L581 L584	C548-V552 PolarHBondContact O-N 3.31Å; M549-V552 PolarHBondContact O-N 3.44Å; R550-V552 VanDerWaalsContact C-N 3.29Å; R550-V552 PolarHBondContact O-N 3.03Å; V552-E554 VanDerWaalsContact C-N 3.33Å; V552-E554 PolarHBondContact O-N 3.32Å; V552-Y555 WeakPolarHBondContact O-CB 3.32Å; V552-Y555 PolarHBondContact O-N 3.33Å; V552-L556 HydrophobicContact CG1-CD1 3.84Å; V552-L556 HydrophobicContact CG1-CG 4.18Å; V552-L556 VanDerWaalsContact O-CG 3.32Å; V552-L556 WeakPolarHBondContact O-CG 3.3Å; V552-L556 PolarHBondContact O-N 3Å; V552-L572 HydrophobicContact CG2-CD1 3.82Å; V552-L575 HydrophobicContact CB-CD2 4.46Å; V552-L575 HydrophobicContact CG2-CD2 3.56Å; V552-L575 HydrophobicContact CG2-CG 3.96Å; V552-L579 HydrophobicContact CG1-CD1 3.62Å; V552-L579 HydrophobicContact CG2-CD1 4.23Å; V552-L581 HydrophobicContact CG1-CD1 4.16Å; V552-L584 HydrophobicContact CG2-CD2 3.97Å
553	L	94.8	Very high	91.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.7	-44.2	179.7	-68	176.4	0	0	0	111.5	L492 I509 A511 L516 M549 R550 Y555 L556 Y557	L492-L553 HydrophobicContact CD1-CB 4.22Å; L492-L553 HydrophobicContact CD1-CD1 3.85Å; L492-L553 HydrophobicContact CD2-CB 4.11Å; I509-L553 HydrophobicContact CD1-CD1 3.69Å; I509-L553 HydrophobicContact CG1-CD1 3.89Å; I509-L553 HydrophobicContact CG2-CD1 4.2Å; A511-L553 HydrophobicContact CB-CD1 4.11Å; A511-L553 HydrophobicContact CB-CD2 3.88Å; L516-L553 HydrophobicContact CD2-CD2 3.36Å; M549-L553 HydrophobicContact CE-CD2 4.03Å; M549-L553 HydrophobicContact CE-CG 4.23Å; M549-L553 HydrophobicContact CG-CD1 4.46Å; M549-L553 WeakPolarHBondContact O-CG 3.25Å; M549-L553 PolarHBondContact O-N 2.62Å; R550-L553 PolarHBondContact O-N 3.49Å; L553-Y555 VanDerWaalsContact C-N 3.33Å; L553-Y555 PolarHBondContact O-N 3.26Å; L553-L556 PolarHBondContact O-N 3.42Å; L553-Y557 VanDerWaalsContact O-CB 3.24Å; L553-Y557 WeakPolarHBondContact O-CB 3.38Å; L553-Y557 WeakPolarHBondContact O-CD1 3.45Å; L553-Y557 PolarHBondContact O-N 3.33Å
554	E	92.3	Very high	91.1	Very high	32 Å²	32	38.8 Å²	38.8	15%	0.15	19%	0.187	C	C	.	.	H	α-helix	trans	-58.1	-45.4	175	-79.9	180	-173.8	0	0	111.4	L492 R550 V552 Y557 M558 C562	L492-E554 HydrophobicContact CD2-CG 4.14Å; R550-E554 HydrophobicContact CG-CG 4.22Å; R550-E554 WeakPolarHBondContact CG-OE1 3.14Å; R550-E554 VanDerWaalsContact O-CB 3.3Å; R550-E554 WeakPolarHBondContact O-CB 3.46Å; R550-E554 WeakPolarHBondContact O-CG 3.47Å; R550-E554 PolarHBondContact O-N 3.29Å; V552-E554 VanDerWaalsContact C-N 3.33Å; V552-E554 PolarHBondContact O-N 3.32Å; E554-Y557 PolarHBondContact O-N 2.85Å; E554-M558 VanDerWaalsContact CA-CE 3.49Å; E554-M558 HydrophobicContact CB-CE 3.29Å; E554-M558 HydrophobicContact CG-CE 3.62Å; E554-M558 VanDerWaalsContact O-CB 3.26Å; E554-M558 WeakPolarHBondContact O-CB 3.45Å; E554-M558 WeakPolarHBondContact O-CE 3.34Å; E554-M558 VanDerWaalsContact O-CG 3.3Å; E554-M558 WeakPolarHBondContact O-CG 3Å; E554-M558 PolarHBondContact O-N 3.47Å; E554-C562 WeakPolarHBondContact OE2-CB 3.42Å
555	Y	93.2	Very high	90.5	Very high	16 Å²	16	44.7 Å²	44.7	6%	0.063	23%	0.228	C	C	.	.	H	α-helix	trans	-61.5	-50.2	175.2	170.5	-97.6	0	0	0	112.6	A551 V552 L553 Y557 M558 G559 R560 L581 H583 L584 L587	A551-Y555 VanDerWaalsContact O-CB 3.3Å; A551-Y555 WeakPolarHBondContact O-CB 3.44Å; A551-Y555 PolarHBondContact O-N 3.25Å; V552-Y555 WeakPolarHBondContact O-CB 3.32Å; V552-Y555 PolarHBondContact O-N 3.33Å; L553-Y555 VanDerWaalsContact C-N 3.33Å; L553-Y555 PolarHBondContact O-N 3.26Å; Y555-Y557 VanDerWaalsContact C-N 3.26Å; Y555-Y557 PolarHBondContact O-N 2.54Å; Y555-M558 PolarHBondContact O-N 2.94Å; Y555-G559 WeakPolarHBondContact O-CA 3.49Å; Y555-G559 PolarHBondContact O-N 3.47Å; Y555-R560 WeakPolarHBondContact CA-O 3.29Å; Y555-L581 HydrophobicContact CD1-CD1 4.39Å; Y555-L581 HydrophobicContact CE1-CD1 4.43Å; Y555-L581 HydrophobicContact CE1-CD2 4.44Å; Y555-H583 AromaticContact CE2-ND1 3.54Å; Y555-H583 AromaticContact CZ-ND1 3.63Å; Y555-H583 PolarHBondContact OH-ND1 2.92Å; Y555-L584 HydrophobicContact CD1-CB 4.14Å; Y555-L584 HydrophobicContact CD1-CD1 4.44Å; Y555-L584 HydrophobicContact CD1-CD2 3.93Å; Y555-L584 HydrophobicContact CD1-CG 4.4Å; Y555-L584 HydrophobicContact CD2-CB 4.41Å; Y555-L584 HydrophobicContact CD2-CD1 3.9Å; Y555-L584 HydrophobicContact CE1-CB 3.99Å; Y555-L584 HydrophobicContact CE2-CB 4.26Å; Y555-L584 HydrophobicContact CE2-CD1 4.46Å; Y555-L584 HydrophobicContact CG-CB 4.35Å; Y555-L584 HydrophobicContact CG-CD1 3.89Å; Y555-L584 HydrophobicContact CG-CD2 4.09Å; Y555-L584 HydrophobicContact CG-CG 4.34Å; Y555-L587 HydrophobicContact CD2-CD1 4.37Å; Y555-L587 HydrophobicContact CE2-CD1 3.96Å
556	L	91.9	Very high	90.1	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-30.7	-178.4	-68.3	179.1	0	0	0	112.7	L516 S519 C520 M523 V552 L553 L581	L516-L556 HydrophobicContact CD2-CD1 3.91Å; S519-L556 VanDerWaalsContact CB-O 3.28Å; S519-L556 WeakPolarHBondContact CB-O 3.4Å; S519-L556 WeakPolarHBondContact O-CD2 3.13Å; S519-L556 PolarHBondContact OG-O 3.41Å; C520-L556 HydrophobicContact CB-CD1 4.07Å; C520-L556 HydrophobicContact CB-CD2 3.86Å; M523-L556 HydrophobicContact CE-CD1 4.08Å; M523-L556 HydrophobicContact SD-CD1 3.78Å; V552-L556 HydrophobicContact CG1-CD1 3.84Å; V552-L556 HydrophobicContact CG1-CG 4.18Å; V552-L556 VanDerWaalsContact O-CG 3.32Å; V552-L556 WeakPolarHBondContact O-CG 3.3Å; V552-L556 PolarHBondContact O-N 3Å; L553-L556 PolarHBondContact O-N 3.42Å; L556-L581 HydrophobicContact CD2-CD1 4.09Å; L556-L581 HydrophobicContact CD2-CD2 3.99Å
557	Y	90.6	Very high	90	Very high	27 Å²	27	43.5 Å²	43.5	11%	0.106	23%	0.228	C	C	.	.	H	α-helix	trans	-87.9	-28.8	-175.5	-75.2	15.8	0	0	0	112.7	V488 L492 H512 L515 L516 L553 E554 Y555	V488-Y557 HydrophobicContact CG1-CD2 3.44Å; V488-Y557 VanDerWaalsContact CG1-CD2 3.44Å; V488-Y557 HydrophobicContact CG1-CE2 4.34Å; V488-Y557 HydrophobicContact CG1-CG 3.95Å; L492-Y557 HydrophobicContact CB-CD2 4.43Å; L492-Y557 HydrophobicContact CB-CE2 4.33Å; L492-Y557 HydrophobicContact CD1-CE2 4.01Å; L492-Y557 HydrophobicContact CD2-CD2 4.17Å; L492-Y557 HydrophobicContact CD2-CE2 4.41Å; L492-Y557 HydrophobicContact CG-CE2 4.48Å; H512-Y557 WeakPolarHBondContact CB-OH 3.47Å; H512-Y557 PolarHBondContact N-OH 2.88Å; H512-Y557 AromaticContact ND1-CE2 3.42Å; H512-Y557 WeakPolarHBondContact ND1-CE2 3.38Å; H512-Y557 AromaticContact ND1-CZ 3.61Å; H512-Y557 PolarHBondContact ND1-OH 3.05Å; H512-Y557 PolarHBondContact O-OH 3.08Å; L515-Y557 HydrophobicContact CB-CD1 3.76Å; L515-Y557 HydrophobicContact CB-CE1 3.34Å; L515-Y557 HydrophobicContact CB-CE2 4.44Å; L515-Y557 HydrophobicContact CB-CG 4.47Å; L515-Y557 HydrophobicContact CD1-CD1 4.24Å; L515-Y557 HydrophobicContact CD1-CD2 3.86Å; L515-Y557 HydrophobicContact CD1-CE1 4.07Å; L515-Y557 HydrophobicContact CD1-CE2 3.65Å; L515-Y557 HydrophobicContact CD1-CG 4.15Å; L515-Y557 HydrophobicContact CG-CE1 4.36Å; L516-Y557 HydrophobicContact CD2-CE1 3.74Å; L516-Y557 HydrophobicContact CG-CE1 4.27Å; L553-Y557 VanDerWaalsContact O-CB 3.24Å; L553-Y557 WeakPolarHBondContact O-CB 3.38Å; L553-Y557 WeakPolarHBondContact O-CD1 3.45Å; L553-Y557 PolarHBondContact O-N 3.33Å; E554-Y557 PolarHBondContact O-N 2.85Å; Y555-Y557 VanDerWaalsContact C-N 3.26Å; Y555-Y557 PolarHBondContact O-N 2.54Å
558	M	85.5	Confident	89.9	Confident	31 Å²	31	46.1 Å²	46.1	15%	0.153	24%	0.241	C	C	.	.	H	α-helix	trans	-116.5	-10.8	-170.7	-54	-173.2	-81.6	0	0	113.8	T485 K489 E554 Y555 R560	T485-M558 HydrophobicContact CG2-CB 4.3Å; T485-M558 HydrophobicContact CG2-CG 3.91Å; T485-M558 HydrophobicContact CG2-SD 4.07Å; K489-M558 HydrophobicContact CD-SD 3.99Å; K489-M558 WeakPolarHBondContact CE-SD 3.32Å; K489-M558 HydrophobicContact CG-SD 3.74Å; E554-M558 VanDerWaalsContact CA-CE 3.49Å; E554-M558 HydrophobicContact CB-CE 3.29Å; E554-M558 HydrophobicContact CG-CE 3.62Å; E554-M558 VanDerWaalsContact O-CB 3.26Å; E554-M558 WeakPolarHBondContact O-CB 3.45Å; E554-M558 WeakPolarHBondContact O-CE 3.34Å; E554-M558 VanDerWaalsContact O-CG 3.3Å; E554-M558 WeakPolarHBondContact O-CG 3Å; E554-M558 PolarHBondContact O-N 3.47Å; Y555-M558 PolarHBondContact O-N 2.94Å; M558-R560 PolarHBondContact O-N 2.83Å
559	G	83.2	Confident	89.8	Confident	41 Å²	41	46.3 Å²	46.3	42%	0.423	24%	0.243	S	C	.	.	S	Bend	trans	65.8	16.4	-173.8	0	0	0	0	0	113.7	Y555	Y555-G559 WeakPolarHBondContact O-CA 3.49Å; Y555-G559 PolarHBondContact O-N 3.47Å
560	R	84.5	Confident	89.7	Confident	192 Å²	192	46.7 Å²	46.7	73%	0.725	24%	0.244	S	C	*	.	S	Bend	trans	-136.1	138.6	-176.6	-63.5	-176.7	-176.3	-173.8	1	110.6	Y555 M558	Y555-R560 WeakPolarHBondContact CA-O 3.29Å; M558-R560 PolarHBondContact O-N 2.83Å
561	F	89	Confident	89.7	Confident	40 Å²	40	47 Å²	47	18%	0.175	25%	0.249	C	C	.	.			trans	-77.3	134.9	171.6	172.6	-113.1	0	0	0	110.7	L567 L572 L584 L587 Y591	F561-L567 HydrophobicContact CE2-CD2 3.86Å; F561-L567 HydrophobicContact CZ-CD2 3.72Å; F561-L572 HydrophobicContact CD2-CD2 4.34Å; F561-L572 HydrophobicContact CE2-CD2 3.53Å; F561-L572 HydrophobicContact CZ-CD2 4.3Å; F561-L584 HydrophobicContact CB-CD1 4.45Å; F561-L584 HydrophobicContact CD2-CD1 3.8Å; F561-L584 HydrophobicContact CG-CD1 4.46Å; F561-L587 HydrophobicContact CB-CB 4.13Å; F561-L587 HydrophobicContact CB-CD1 3.83Å; F561-L587 HydrophobicContact CB-CG 4.43Å; F561-L587 HydrophobicContact CG-CB 4.36Å; F561-Y591 HydrophobicContact CE1-CD1 4.25Å; F561-Y591 HydrophobicContact CE1-CD2 4.22Å; F561-Y591 AromaticContact CE1-CG 3.8Å; F561-Y591 HydrophobicContact CE1-CG 3.8Å; F561-Y591 HydrophobicContact CZ-CD1 4.15Å; F561-Y591 HydrophobicContact CZ-CG 4.18Å
562	C	84.6	Confident	89.8	Confident	41 Å²	41	47 Å²	47	28%	0.277	25%	0.249	S	C	.	.			trans	-119	114.4	175.6	-67.9	0	0	0	0	109.1	E554	E554-C562 WeakPolarHBondContact OE2-CB 3.42Å
563	S	84.4	Confident	89.8	Confident	71 Å²	71	47 Å²	47	50%	0.497	25%	0.249	S	C	.	.			trans	-77.6	147.7	175.6	57.2	0	0	0	0	111	Y591	S563-Y591 VanDerWaalsContact CB-CE2 3.42Å
564	R	83.9	Confident	89.8	Confident	95 Å²	95	49.3 Å²	49.3	36%	0.358	26%	0.263	S	S	.	.			trans	-140.3	155.4	176.9	-55.9	176.1	56.9	87.1	6.2	109.6	D566 L567	R564-D566 VanDerWaalsContact C-N 3.26Å; R564-D566 WeakPolarHBondContact CB-OD1 3.24Å; R564-D566 IonicContact CZ-OD1 2.62Å; R564-D566 IonicContact NE-OD1 3.44Å; R564-D566 PolarHBondContact NE-OD1 3.01Å; R564-D566 IonicContact NE-OD2 3.56Å; R564-D566 IonicContact NH2-OD1 3.96Å; R564-D566 IonicContact NH2-OD2 3.33Å; R564-D566 PolarHBondContact O-N 2.84Å; R564-L567 HydrophobicContact CB-CB 4.39Å; R564-L567 WeakPolarHBondContact O-CB 3.45Å; R564-L567 PolarHBondContact O-N 3.29Å
565	S	83	Confident	90	Very high	130 Å²	130	48 Å²	48	91%	0.909	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-23.2	-179.4	56	0	0	0	0	113.8	L567	S565-L567 VanDerWaalsContact C-N 3.35Å
566	D	87.1	Confident	90	Very high	79 Å²	79	47.3 Å²	47.3	42%	0.422	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	8.6	179.5	61.2	-31.1	0	0	0	113.3	S547 R564	S547-D566 WeakPolarHBondContact CB-O 3.26Å; S547-D566 PolarHBondContact OG-O 2.67Å; R564-D566 VanDerWaalsContact C-N 3.26Å; R564-D566 WeakPolarHBondContact CB-OD1 3.24Å; R564-D566 IonicContact CZ-OD1 2.62Å; R564-D566 IonicContact NE-OD1 3.44Å; R564-D566 PolarHBondContact NE-OD1 3.01Å; R564-D566 IonicContact NE-OD2 3.56Å; R564-D566 IonicContact NH2-OD1 3.96Å; R564-D566 IonicContact NH2-OD2 3.33Å; R564-D566 PolarHBondContact O-N 2.84Å
567	L	91.3	Very high	90.1	Very high	19 Å²	19	50 Å²	50	10%	0.099	27%	0.269	C	S	.	.			trans	-90.3	119.2	-176.1	-175.7	67.7	0	0	0	110.9	A551 F561 R564 S565 A569 L572	A551-L567 HydrophobicContact CB-CD1 3.97Å; F561-L567 HydrophobicContact CE2-CD2 3.86Å; F561-L567 HydrophobicContact CZ-CD2 3.72Å; R564-L567 HydrophobicContact CB-CB 4.39Å; R564-L567 WeakPolarHBondContact O-CB 3.45Å; R564-L567 PolarHBondContact O-N 3.29Å; S565-L567 VanDerWaalsContact C-N 3.35Å; L567-A569 PolarHBondContact O-N 3.33Å; L567-L572 HydrophobicContact CD1-CB 4.26Å; L567-L572 HydrophobicContact CD1-CD2 4.1Å; L567-L572 HydrophobicContact CD2-CD2 3.87Å; L567-L572 HydrophobicContact CG-CD2 4.39Å
568	D	92.9	Very high	90.2	Very high	69 Å²	69	53.8 Å²	53.8	37%	0.369	28%	0.283	S	S	.	.			trans	-81.8	113.1	164.1	-170	-43	0	0	0	109.1	M570 E571 L572	D568-M570 VanDerWaalsContact C-N 3.28Å; D568-M570 PolarHBondContact O-N 3.48Å; D568-M570 WeakPolarHBondContact OD1-CA 3.15Å; D568-M570 WeakPolarHBondContact OD1-CB 3.47Å; D568-M570 PolarHBondContact OD1-N 2.9Å; D568-E571 HydrophobicContact CB-CB 4.02Å; D568-E571 HydrophobicContact CB-CG 3.91Å; D568-E571 PolarHBondContact O-N 2.72Å; D568-E571 PolarHBondContact OD1-N 2.79Å; D568-L572 WeakPolarHBondContact O-CB 3.26Å; D568-L572 PolarHBondContact O-N 3.35Å
569	A	93.7	Very high	90.6	Very high	5 Å²	5	52.3 Å²	52.3	4%	0.041	28%	0.276	C	S	.	.	H	α-helix	trans	-65.6	-31.2	-177.6	0	0	0	0	0	112.7	L567 I573 T588 Y591 T592	L567-A569 PolarHBondContact O-N 3.33Å; A569-I573 VanDerWaalsContact O-CG1 3.3Å; A569-I573 WeakPolarHBondContact O-CG1 3.47Å; A569-I573 PolarHBondContact O-N 2.99Å; A569-T588 HydrophobicContact CB-CG2 3.97Å; A569-T588 WeakPolarHBondContact O-CG2 3.15Å; A569-Y591 HydrophobicContact CB-CD1 4.5Å; A569-T592 WeakPolarHBondContact CB-OG1 3.35Å
570	M	94	Very high	91.1	Very high	8 Å²	8	54.8 Å²	54.8	4%	0.039	29%	0.285	C	S	.	.	H	α-helix	trans	-72.4	-48.5	177.2	-87.4	-65.3	152.8	0	0	111.3	D568 L572 I573 V574 Y613 M616 A617 L625	D568-M570 VanDerWaalsContact C-N 3.28Å; D568-M570 PolarHBondContact O-N 3.48Å; D568-M570 WeakPolarHBondContact OD1-CA 3.15Å; D568-M570 WeakPolarHBondContact OD1-CB 3.47Å; D568-M570 PolarHBondContact OD1-N 2.9Å; M570-L572 PolarHBondContact O-N 3.08Å; M570-I573 HydrophobicContact CE-CD1 3.96Å; M570-I573 WeakPolarHBondContact O-CB 3.33Å; M570-I573 PolarHBondContact O-N 2.93Å; M570-I573 HydrophobicContact SD-CD1 4.3Å; M570-V574 WeakPolarHBondContact O-CG2 3.41Å; M570-V574 PolarHBondContact O-N 2.94Å; M570-Y613 HydrophobicContact CE-CD1 3.57Å; M570-Y613 HydrophobicContact CE-CE1 4.12Å; M570-Y613 HydrophobicContact CG-CD1 3.82Å; M570-Y613 HydrophobicContact CG-CE1 3.67Å; M570-M616 HydrophobicContact CB-CE 4.45Å; M570-M616 HydrophobicContact CB-SD 4.27Å; M570-M616 HydrophobicContact CE-CB 4.35Å; M570-M616 HydrophobicContact CG-CB 4.01Å; M570-M616 HydrophobicContact CG-CE 3.72Å; M570-M616 HydrophobicContact CG-SD 3.98Å; M570-M616 HydrophobicContact SD-CB 3.65Å; M570-A617 HydrophobicContact CE-CB 3.89Å; M570-L625 HydrophobicContact CE-CD2 3.16Å; M570-L625 HydrophobicContact CE-CG 4.32Å
571	E	94.4	Very high	91.5	Very high	85 Å²	85	46.3 Å²	46.3	40%	0.397	25%	0.254	S	S	.	.	H	α-helix	trans	-55.6	-39.2	174.7	-68	-171.5	172.9	0	0	111.5	T545 C548 D568 V574 L575	T545-E571 WeakPolarHBondContact CG2-OE2 3.43Å; T545-E571 PolarHBondContact OG1-OE2 3.27Å; C548-E571 VanDerWaalsContact SG-CB 3.55Å; D568-E571 HydrophobicContact CB-CB 4.02Å; D568-E571 HydrophobicContact CB-CG 3.91Å; D568-E571 PolarHBondContact O-N 2.72Å; D568-E571 PolarHBondContact OD1-N 2.79Å; E571-V574 PolarHBondContact O-N 2.79Å; E571-L575 WeakPolarHBondContact O-CB 3.4Å; E571-L575 PolarHBondContact O-N 2.89Å
572	L	96	Very high	91.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-42.2	175.5	-178.3	61.2	0	0	0	112.6	C548 A551 V552 F561 L567 D568 M570 V574 L575 A576 L584 T588	C548-L572 HydrophobicContact CB-CD1 4.49Å; A551-L572 HydrophobicContact CB-CD1 4.11Å; A551-L572 HydrophobicContact CB-CD2 4.16Å; V552-L572 HydrophobicContact CG2-CD1 3.82Å; F561-L572 HydrophobicContact CD2-CD2 4.34Å; F561-L572 HydrophobicContact CE2-CD2 3.53Å; F561-L572 HydrophobicContact CZ-CD2 4.3Å; L567-L572 HydrophobicContact CD1-CB 4.26Å; L567-L572 HydrophobicContact CD1-CD2 4.1Å; L567-L572 HydrophobicContact CD2-CD2 3.87Å; L567-L572 HydrophobicContact CG-CD2 4.39Å; D568-L572 WeakPolarHBondContact O-CB 3.26Å; D568-L572 PolarHBondContact O-N 3.35Å; M570-L572 PolarHBondContact O-N 3.08Å; L572-V574 VanDerWaalsContact C-N 3.32Å; L572-V574 PolarHBondContact O-N 3.4Å; L572-L575 PolarHBondContact O-N 2.96Å; L572-A576 VanDerWaalsContact O-CB 3.23Å; L572-A576 WeakPolarHBondContact O-CB 3.19Å; L572-A576 PolarHBondContact O-N 3.06Å; L572-L584 HydrophobicContact CD1-CD2 4.34Å; L572-T588 HydrophobicContact CB-CG2 4.24Å; L572-T588 HydrophobicContact CD2-CG2 3.89Å; L572-T588 WeakPolarHBondContact CD2-OG1 3.29Å; L572-T588 HydrophobicContact CG-CG2 4.21Å
573	I	95.6	Very high	92.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.4	-44.4	174.6	-75.9	166.8	0	0	0	110.5	A569 M570 L575 A576 N577 V585 T588 E589 A622 L625	A569-I573 VanDerWaalsContact O-CG1 3.3Å; A569-I573 WeakPolarHBondContact O-CG1 3.47Å; A569-I573 PolarHBondContact O-N 2.99Å; M570-I573 HydrophobicContact CE-CD1 3.96Å; M570-I573 WeakPolarHBondContact O-CB 3.33Å; M570-I573 PolarHBondContact O-N 2.93Å; M570-I573 HydrophobicContact SD-CD1 4.3Å; I573-L575 PolarHBondContact O-N 2.68Å; I573-A576 PolarHBondContact O-N 3.46Å; I573-N577 WeakPolarHBondContact O-CB 3.43Å; I573-N577 PolarHBondContact O-N 3.42Å; I573-N577 PolarHBondContact O-ND2 3.02Å; I573-V585 HydrophobicContact CG2-CG1 4.41Å; I573-T588 HydrophobicContact CD1-CG2 4.15Å; I573-T588 HydrophobicContact CG1-CG2 3.71Å; I573-E589 HydrophobicContact CD1-CG 4.26Å; I573-A622 HydrophobicContact CD1-CB 4.26Å; I573-A622 HydrophobicContact CG2-CB 4.07Å; I573-L625 HydrophobicContact CD1-CD2 4.24Å
574	V	94.9	Very high	92.5	Very high	49 Å²	49	44.5 Å²	44.5	30%	0.297	24%	0.243	S	C	.	.	H	α-helix	trans	-58.9	-49.3	177.3	-179.8	0	0	0	0	110.8	M570 E571 L572 N577 R578 H620	M570-V574 WeakPolarHBondContact O-CG2 3.41Å; M570-V574 PolarHBondContact O-N 2.94Å; E571-V574 PolarHBondContact O-N 2.79Å; L572-V574 VanDerWaalsContact C-N 3.32Å; L572-V574 PolarHBondContact O-N 3.4Å; V574-N577 PolarHBondContact O-N 3.39Å; V574-R578 WeakPolarHBondContact O-CB 3.26Å; V574-R578 PolarHBondContact O-N 3.01Å; V574-H620 HydrophobicContact CG2-CB 4.28Å; V574-H620 VanDerWaalsContact CG2-CD2 3.48Å; V574-H620 WeakPolarHBondContact CG2-CD2 3.31Å; V574-H620 WeakPolarHBondContact CG2-CE1 3.36Å; V574-H620 WeakPolarHBondContact CG2-ND1 3.5Å; V574-H620 WeakPolarHBondContact CG2-NE2 3.47Å
575	L	95.6	Very high	93.1	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-44.7	179.8	-179.1	60.8	0	0	0	111.8	T544 C548 M549 V552 E571 L572 I573 N577 R578 L579	T544-L575 HydrophobicContact CG2-CD1 4.1Å; T544-L575 HydrophobicContact CG2-CD2 3.65Å; T544-L575 HydrophobicContact CG2-CG 4.46Å; C548-L575 HydrophobicContact CB-CD2 4.06Å; M549-L575 HydrophobicContact SD-CD2 4.35Å; V552-L575 HydrophobicContact CB-CD2 4.46Å; V552-L575 HydrophobicContact CG2-CD2 3.56Å; V552-L575 HydrophobicContact CG2-CG 3.96Å; E571-L575 WeakPolarHBondContact O-CB 3.4Å; E571-L575 PolarHBondContact O-N 2.89Å; L572-L575 PolarHBondContact O-N 2.96Å; I573-L575 PolarHBondContact O-N 2.68Å; L575-N577 VanDerWaalsContact C-N 3.35Å; L575-N577 PolarHBondContact O-N 3.44Å; L575-R578 WeakPolarHBondContact O-CB 3.33Å; L575-R578 PolarHBondContact O-N 3.27Å; L575-L579 HydrophobicContact CD1-CD1 3.91Å; L575-L579 HydrophobicContact CD1-CG 4.17Å; L575-L579 HydrophobicContact CG-CD1 3.98Å; L575-L579 WeakPolarHBondContact O-CB 3.21Å; L575-L579 VanDerWaalsContact O-CG 3.31Å; L575-L579 WeakPolarHBondContact O-CG 3.42Å; L575-L579 PolarHBondContact O-N 3.35Å
576	A	94.9	Very high	93.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.5	-40.8	179	0	0	0	0	0	111.8	L572 I573 L579 C580 L581 L584 V585	L572-A576 VanDerWaalsContact O-CB 3.23Å; L572-A576 WeakPolarHBondContact O-CB 3.19Å; L572-A576 PolarHBondContact O-N 3.06Å; I573-A576 PolarHBondContact O-N 3.46Å; A576-L579 CarbonylContact O-C 3.58Å; A576-L579 PolarHBondContact O-N 2.85Å; A576-C580 PolarHBondContact O-N 3.15Å; A576-C580 VanDerWaalsContact O-N 3.16Å; A576-L581 HydrophobicContact CB-CB 4.34Å; A576-L581 PolarHBondContact O-N 3.5Å; A576-L584 HydrophobicContact CB-CB 4.21Å; A576-L584 HydrophobicContact CB-CD2 3.92Å; A576-L584 HydrophobicContact CB-CG 3.98Å; A576-V585 HydrophobicContact CB-CG2 3.68Å
577	N	93.3	Very high	94	Very high	62 Å²	62	32.3 Å²	32.3	33%	0.332	18%	0.176	S	C	.	.	H	α-helix	trans	-64.2	-43.9	173.2	-85.6	-34.7	0	0	0	112.1	I573 V574 L575 L579 C580 V585 H620	I573-N577 WeakPolarHBondContact O-CB 3.43Å; I573-N577 PolarHBondContact O-N 3.42Å; I573-N577 PolarHBondContact O-ND2 3.02Å; V574-N577 PolarHBondContact O-N 3.39Å; L575-N577 VanDerWaalsContact C-N 3.35Å; L575-N577 PolarHBondContact O-N 3.44Å; N577-L579 PolarHBondContact O-N 3.32Å; N577-C580 PolarHBondContact O-N 2.95Å; N577-V585 WeakPolarHBondContact OD1-CG2 3.5Å; N577-H620 PolarHBondContact ND2-O 2.86Å
578	R	93.3	Very high	94.3	Very high	107 Å²	107	31.4 Å²	31.4	40%	0.404	17%	0.171	S	C	.	.	H	α-helix	trans	-59.3	-34.8	176.5	-178.4	179.4	177.2	-176.2	-0.5	112.4	P542 V574 L575 C580	P542-R578 PolarHBondContact O-NH1 3.15Å; P542-R578 VanDerWaalsContact O-NH1 3.12Å; V574-R578 WeakPolarHBondContact O-CB 3.26Å; V574-R578 PolarHBondContact O-N 3.01Å; L575-R578 WeakPolarHBondContact O-CB 3.33Å; L575-R578 PolarHBondContact O-N 3.27Å; R578-C580 VanDerWaalsContact C-N 3.32Å
579	L	93.6	Very high	94.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	6.4	178.4	-62.7	176.1	0	0	0	113.6	W522 M523 V552 L575 A576 N577 L581	W522-L579 HydrophobicContact CD2-CD2 3.86Å; W522-L579 HydrophobicContact CE3-CD2 3.53Å; W522-L579 HydrophobicContact CG-CD2 4.47Å; W522-L579 HydrophobicContact CH2-CD2 4.23Å; W522-L579 HydrophobicContact CZ3-CD2 3.74Å; M523-L579 HydrophobicContact CE-CD1 4.09Å; M523-L579 HydrophobicContact CE-CD2 4.15Å; V552-L579 HydrophobicContact CG1-CD1 3.62Å; V552-L579 HydrophobicContact CG2-CD1 4.23Å; L575-L579 HydrophobicContact CD1-CD1 3.91Å; L575-L579 HydrophobicContact CD1-CG 4.17Å; L575-L579 HydrophobicContact CG-CD1 3.98Å; L575-L579 WeakPolarHBondContact O-CB 3.21Å; L575-L579 VanDerWaalsContact O-CG 3.31Å; L575-L579 WeakPolarHBondContact O-CG 3.42Å; L575-L579 PolarHBondContact O-N 3.35Å; A576-L579 CarbonylContact O-C 3.58Å; A576-L579 PolarHBondContact O-N 2.85Å; N577-L579 PolarHBondContact O-N 3.32Å; L579-L581 HydrophobicContact CB-CD1 3.98Å; L579-L581 HydrophobicContact CB-CG 3.98Å; L579-L581 HydrophobicContact CD1-CD1 4.36Å; L579-L581 PolarHBondContact O-N 2.9Å
580	C	92.6	Very high	94.5	Very high	92 Å²	92	31.3 Å²	31.3	62%	0.622	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	44.1	-178.7	-58	0	0	0	0	113.6	A576 N577 R578 P582	A576-C580 PolarHBondContact O-N 3.15Å; A576-C580 VanDerWaalsContact O-N 3.16Å; N577-C580 PolarHBondContact O-N 2.95Å; R578-C580 VanDerWaalsContact C-N 3.32Å; C580-P582 WeakPolarHBondContact O-CD 3.32Å
581	L	93.2	Very high	94.6	Very high	14 Å²	14	33.7 Å²	33.7	7%	0.073	18%	0.178	C	C	.	.			trans	-108.6	70.6	-178.8	-59.1	176.7	0	0	0	112.1	V552 Y555 L556 A576 L579 H583 L584 V585	V552-L581 HydrophobicContact CG1-CD1 4.16Å; Y555-L581 HydrophobicContact CD1-CD1 4.39Å; Y555-L581 HydrophobicContact CE1-CD1 4.43Å; Y555-L581 HydrophobicContact CE1-CD2 4.44Å; L556-L581 HydrophobicContact CD2-CD1 4.09Å; L556-L581 HydrophobicContact CD2-CD2 3.99Å; A576-L581 HydrophobicContact CB-CB 4.34Å; A576-L581 PolarHBondContact O-N 3.5Å; L579-L581 HydrophobicContact CB-CD1 3.98Å; L579-L581 HydrophobicContact CB-CG 3.98Å; L579-L581 HydrophobicContact CD1-CD1 4.36Å; L579-L581 PolarHBondContact O-N 2.9Å; L581-H583 VanDerWaalsContact C-N 3.28Å; L581-H583 PolarHBondContact O-N 2.98Å; L581-L584 HydrophobicContact CB-CB 3.96Å; L581-L584 HydrophobicContact CD1-CD2 4.02Å; L581-L584 PolarHBondContact O-N 2.95Å; L581-L584 VanDerWaalsContact O-N 3.08Å; L581-V585 PolarHBondContact O-N 2.95Å; L581-V585 VanDerWaalsContact O-N 3.11Å
582	P	92.4	Very high	94.7	Very high	95 Å²	95	29.8 Å²	29.8	62%	0.617	16%	0.16	S	C	*	.	H	α-helix	trans	-63.1	-30.9	-173.8	25.9	-35.7	0	0	0	113.6	C580 V585 A586	C580-P582 WeakPolarHBondContact O-CD 3.32Å; P582-V585 WeakPolarHBondContact O-CB 3.46Å; P582-V585 PolarHBondContact O-N 3.01Å; P582-A586 PolarHBondContact O-N 3.49Å
583	H	93.2	Very high	94.7	Very high	19 Å²	19	30.3 Å²	30.3	9%	0.088	16%	0.163	C	C	.	.	H	α-helix	trans	-67	-38.9	175.5	178.9	-112.4	0	0	0	112	V269 P270 Y555 L581 A586 L587	V269-H583 WeakPolarHBondContact CG1-NE2 3.48Å; P270-H583 PolarHBondContact O-CD2 3.43Å; P270-H583 PolarHBondContact O-NE2 3.38Å; Y555-H583 AromaticContact CE2-ND1 3.54Å; Y555-H583 AromaticContact CZ-ND1 3.63Å; Y555-H583 PolarHBondContact OH-ND1 2.92Å; L581-H583 VanDerWaalsContact C-N 3.28Å; L581-H583 PolarHBondContact O-N 2.98Å; H583-A586 PolarHBondContact O-N 2.98Å; H583-L587 WeakPolarHBondContact O-CG 3.37Å; H583-L587 PolarHBondContact O-N 3.01Å
584	L	94.5	Very high	94.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68	-35.9	174.7	-179.6	57.8	0	0	0	111.7	V552 Y555 F561 L572 A576 L581 L587 T588	V552-L584 HydrophobicContact CG2-CD2 3.97Å; Y555-L584 HydrophobicContact CD1-CB 4.14Å; Y555-L584 HydrophobicContact CD1-CD1 4.44Å; Y555-L584 HydrophobicContact CD1-CD2 3.93Å; Y555-L584 HydrophobicContact CD1-CG 4.4Å; Y555-L584 HydrophobicContact CD2-CB 4.41Å; Y555-L584 HydrophobicContact CD2-CD1 3.9Å; Y555-L584 HydrophobicContact CE1-CB 3.99Å; Y555-L584 HydrophobicContact CE2-CB 4.26Å; Y555-L584 HydrophobicContact CE2-CD1 4.46Å; Y555-L584 HydrophobicContact CG-CB 4.35Å; Y555-L584 HydrophobicContact CG-CD1 3.89Å; Y555-L584 HydrophobicContact CG-CD2 4.09Å; Y555-L584 HydrophobicContact CG-CG 4.34Å; F561-L584 HydrophobicContact CB-CD1 4.45Å; F561-L584 HydrophobicContact CD2-CD1 3.8Å; F561-L584 HydrophobicContact CG-CD1 4.46Å; L572-L584 HydrophobicContact CD1-CD2 4.34Å; A576-L584 HydrophobicContact CB-CB 4.21Å; A576-L584 HydrophobicContact CB-CD2 3.92Å; A576-L584 HydrophobicContact CB-CG 3.98Å; L581-L584 HydrophobicContact CB-CB 3.96Å; L581-L584 HydrophobicContact CD1-CD2 4.02Å; L581-L584 PolarHBondContact O-N 2.95Å; L581-L584 VanDerWaalsContact O-N 3.08Å; L584-L587 PolarHBondContact O-N 2.94Å; L584-T588 WeakPolarHBondContact O-CB 3.45Å; L584-T588 PolarHBondContact O-N 2.82Å; L584-T588 PolarHBondContact O-OG1 3.37Å
585	V	95.1	Very high	94.6	Very high	10 Å²	10	33.3 Å²	33.3	6%	0.061	18%	0.181	C	C	.	.	H	α-helix	trans	-58.5	-52	172.6	174.9	0	0	0	0	110.2	I573 A576 N577 L581 P582 L587 T588 E589	I573-V585 HydrophobicContact CG2-CG1 4.41Å; A576-V585 HydrophobicContact CB-CG2 3.68Å; N577-V585 WeakPolarHBondContact OD1-CG2 3.5Å; L581-V585 PolarHBondContact O-N 2.95Å; L581-V585 VanDerWaalsContact O-N 3.11Å; P582-V585 WeakPolarHBondContact O-CB 3.46Å; P582-V585 PolarHBondContact O-N 3.01Å; V585-L587 VanDerWaalsContact C-N 3.34Å; V585-L587 PolarHBondContact O-N 3.08Å; V585-T588 PolarHBondContact O-N 2.9Å; V585-E589 HydrophobicContact CG1-CG 4.36Å; V585-E589 WeakPolarHBondContact O-CG 3.31Å; V585-E589 PolarHBondContact O-N 3.06Å
586	A	95.2	Very high	94.6	Very high	4 Å²	4	33.6 Å²	33.6	3%	0.033	18%	0.183	C	C	.	.	H	α-helix	trans	-60.8	-39.9	179.7	0	0	0	0	0	113	P270 P582 H583 T588 E589 L590	P270-A586 HydrophobicContact CG-CB 4.46Å; P582-A586 PolarHBondContact O-N 3.49Å; H583-A586 PolarHBondContact O-N 2.98Å; A586-T588 VanDerWaalsContact C-N 3.32Å; A586-T588 PolarHBondContact O-N 3.34Å; A586-E589 PolarHBondContact O-N 3.42Å; A586-L590 WeakPolarHBondContact O-CB 3.25Å; A586-L590 PolarHBondContact O-N 2.76Å
587	L	95.3	Very high	94.6	Very high	35 Å²	35	36 Å²	36	18%	0.183	20%	0.198	C	C	.	.	H	α-helix	trans	-61.9	-40.2	173.5	-75.5	168.6	0	0	0	112	V269 Y555 F561 H583 L584 V585 L590 Y591	V269-L587 HydrophobicContact CG1-CD2 3.72Å; V269-L587 HydrophobicContact CG1-CG 3.85Å; V269-L587 HydrophobicContact CG2-CD2 4.12Å; Y555-L587 HydrophobicContact CD2-CD1 4.37Å; Y555-L587 HydrophobicContact CE2-CD1 3.96Å; F561-L587 HydrophobicContact CB-CB 4.13Å; F561-L587 HydrophobicContact CB-CD1 3.83Å; F561-L587 HydrophobicContact CB-CG 4.43Å; F561-L587 HydrophobicContact CG-CB 4.36Å; H583-L587 WeakPolarHBondContact O-CG 3.37Å; H583-L587 PolarHBondContact O-N 3.01Å; L584-L587 PolarHBondContact O-N 2.94Å; V585-L587 VanDerWaalsContact C-N 3.34Å; V585-L587 PolarHBondContact O-N 3.08Å; L587-L590 PolarHBondContact O-N 2.95Å; L587-Y591 WeakPolarHBondContact O-CB 3.25Å; L587-Y591 PolarHBondContact O-N 3.46Å
588	T	95.8	Very high	94.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-73.1	-37.3	-179.7	-50.5	0	0	0	0	111.7	A569 L572 I573 L584 V585 A586 Y591 T592	A569-T588 HydrophobicContact CB-CG2 3.97Å; A569-T588 WeakPolarHBondContact O-CG2 3.15Å; L572-T588 HydrophobicContact CB-CG2 4.24Å; L572-T588 HydrophobicContact CD2-CG2 3.89Å; L572-T588 WeakPolarHBondContact CD2-OG1 3.29Å; L572-T588 HydrophobicContact CG-CG2 4.21Å; I573-T588 HydrophobicContact CD1-CG2 4.15Å; I573-T588 HydrophobicContact CG1-CG2 3.71Å; L584-T588 WeakPolarHBondContact O-CB 3.45Å; L584-T588 PolarHBondContact O-N 2.82Å; L584-T588 PolarHBondContact O-OG1 3.37Å; V585-T588 PolarHBondContact O-N 2.9Å; A586-T588 VanDerWaalsContact C-N 3.32Å; A586-T588 PolarHBondContact O-N 3.34Å; T588-Y591 PolarHBondContact O-N 3.01Å; T588-T592 WeakPolarHBondContact O-CB 3.41Å; T588-T592 PolarHBondContact O-N 3.15Å; T588-T592 PolarHBondContact O-OG1 3.36Å
589	E	96.5	Very high	94.8	Very high	7 Å²	7	34.6 Å²	34.6	3%	0.033	20%	0.198	C	C	.	.	H	α-helix	trans	-59.3	-47.6	170.9	-70.2	-176.3	113.9	0	0	110.9	I267 I573 V585 A586 Y591 T592 V593 A622 Q623 Q624 L625	I267-E589 HydrophobicContact CG2-CB 4.32Å; I573-E589 HydrophobicContact CD1-CG 4.26Å; V585-E589 HydrophobicContact CG1-CG 4.36Å; V585-E589 WeakPolarHBondContact O-CG 3.31Å; V585-E589 PolarHBondContact O-N 3.06Å; A586-E589 PolarHBondContact O-N 3.42Å; E589-Y591 PolarHBondContact O-N 2.79Å; E589-T592 PolarHBondContact O-N 3.43Å; E589-V593 WeakPolarHBondContact O-CG2 3.41Å; E589-V593 PolarHBondContact O-N 3.48Å; E589-A622 HydrophobicContact CG-CB 4.19Å; E589-A622 WeakPolarHBondContact OE1-CA 3.47Å; E589-A622 WeakPolarHBondContact OE1-CB 3.3Å; E589-Q623 PolarHBondContact OE1-N 2.8Å; E589-Q624 WeakPolarHBondContact OE1-CA 3.45Å; E589-Q624 WeakPolarHBondContact OE1-CB 2.89Å; E589-Q624 PolarHBondContact OE1-N 2.93Å; E589-Q624 WeakPolarHBondContact OE2-CG 3.32Å; E589-Q624 PolarHBondContact OE2-NE2 2.94Å; E589-Q624 VanDerWaalsContact OE2-NE2 3.11Å; E589-L625 HydrophobicContact CB-CB 4.33Å; E589-L625 HydrophobicContact CG-CB 4Å; E589-L625 PolarHBondContact OE1-N 3.28Å
590	L	96	Very high	94.8	Very high	64 Å²	64	36.5 Å²	36.5	34%	0.335	21%	0.214	S	C	.	.	H	α-helix	trans	-60.2	-45.9	177.8	176	63.7	0	0	0	111.4	I267 V269 A586 L587 V593 T594	I267-L590 HydrophobicContact CB-CB 4.41Å; I267-L590 HydrophobicContact CB-CD1 4Å; I267-L590 HydrophobicContact CG2-CB 3.84Å; I267-L590 HydrophobicContact CG2-CD1 4.35Å; V269-L590 HydrophobicContact CG2-CB 4.25Å; V269-L590 HydrophobicContact CG2-CD2 3.72Å; A586-L590 WeakPolarHBondContact O-CB 3.25Å; A586-L590 PolarHBondContact O-N 2.76Å; L587-L590 PolarHBondContact O-N 2.95Å; L590-V593 PolarHBondContact O-N 3.18Å; L590-T594 WeakPolarHBondContact O-CB 2.86Å; L590-T594 PolarHBondContact O-N 3.49Å; L590-T594 PolarHBondContact O-OG1 3.41Å
591	Y	95.4	Very high	94.9	Very high	58 Å²	58	39.8 Å²	39.8	23%	0.227	22%	0.222	C	C	.	.	H	α-helix	trans	-58.5	-49.2	176.3	170.3	-109.7	0	0	0	111.7	F561 S563 A569 L587 T588 E589 V593 T594 V595	F561-Y591 HydrophobicContact CE1-CD1 4.25Å; F561-Y591 HydrophobicContact CE1-CD2 4.22Å; F561-Y591 AromaticContact CE1-CG 3.8Å; F561-Y591 HydrophobicContact CE1-CG 3.8Å; F561-Y591 HydrophobicContact CZ-CD1 4.15Å; F561-Y591 HydrophobicContact CZ-CG 4.18Å; S563-Y591 VanDerWaalsContact CB-CE2 3.42Å; A569-Y591 HydrophobicContact CB-CD1 4.5Å; L587-Y591 WeakPolarHBondContact O-CB 3.25Å; L587-Y591 PolarHBondContact O-N 3.46Å; T588-Y591 PolarHBondContact O-N 3.01Å; E589-Y591 PolarHBondContact O-N 2.79Å; Y591-V593 PolarHBondContact O-N 3.09Å; Y591-T594 WeakPolarHBondContact O-CB 3.49Å; Y591-T594 PolarHBondContact O-N 2.98Å; Y591-T594 VanDerWaalsContact O-N 3.15Å; Y591-V595 HydrophobicContact CD2-CG2 4Å; Y591-V595 HydrophobicContact CE1-CG2 4.25Å; Y591-V595 HydrophobicContact CE2-CG2 3.49Å; Y591-V595 VanDerWaalsContact CE2-CG2 3.49Å; Y591-V595 WeakPolarHBondContact O-CG2 3.42Å; Y591-V595 PolarHBondContact O-N 3.15Å
592	T	95.5	Very high	95.1	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-58.6	-48.4	-179.4	-52.9	0	0	0	0	111.4	A569 T588 E589 T594 V595 L596 Y613 L625	A569-T592 WeakPolarHBondContact CB-OG1 3.35Å; T588-T592 WeakPolarHBondContact O-CB 3.41Å; T588-T592 PolarHBondContact O-N 3.15Å; T588-T592 PolarHBondContact O-OG1 3.36Å; E589-T592 PolarHBondContact O-N 3.43Å; T592-T594 VanDerWaalsContact C-N 3.3Å; T592-T594 PolarHBondContact O-N 2.96Å; T592-V595 PolarHBondContact O-N 3.33Å; T592-L596 HydrophobicContact CG2-CD1 4.08Å; T592-L596 WeakPolarHBondContact O-CG 3.43Å; T592-L596 PolarHBondContact O-N 3.34Å; T592-Y613 HydrophobicContact CG2-CD1 4.14Å; T592-Y613 HydrophobicContact CG2-CE1 3.73Å; T592-L625 HydrophobicContact CG2-CD1 4.12Å; T592-L625 HydrophobicContact CG2-CD2 3.95Å
593	V	96.6	Very high	95.1	Very high	11 Å²	11	45.3 Å²	45.3	7%	0.067	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-39.9	178	167.8	0	0	0	0	111.5	I267 E589 L590 Y591 T597 L625 W628	I267-V593 HydrophobicContact CD1-CG2 3.99Å; I267-V593 HydrophobicContact CG1-CB 4.18Å; I267-V593 HydrophobicContact CG1-CG1 4.21Å; I267-V593 HydrophobicContact CG1-CG2 3.98Å; E589-V593 WeakPolarHBondContact O-CG2 3.41Å; E589-V593 PolarHBondContact O-N 3.48Å; L590-V593 PolarHBondContact O-N 3.18Å; Y591-V593 PolarHBondContact O-N 3.09Å; V593-T597 VanDerWaalsContact O-CB 3.24Å; V593-T597 WeakPolarHBondContact O-CB 3.16Å; V593-T597 PolarHBondContact O-N 3.24Å; V593-T597 PolarHBondContact O-OG1 3.47Å; V593-L625 HydrophobicContact CG2-CD1 3.71Å; V593-W628 HydrophobicContact CB-CD2 4.48Å; V593-W628 HydrophobicContact CB-CG 4.47Å; V593-W628 HydrophobicContact CG1-CD2 4.02Å; V593-W628 HydrophobicContact CG1-CG 3.93Å; V593-W628 HydrophobicContact CG1-CZ2 4.39Å; V593-W628 HydrophobicContact CG2-CB 3.95Å; V593-W628 HydrophobicContact CG2-CD2 3.89Å; V593-W628 HydrophobicContact CG2-CE3 4.27Å; V593-W628 HydrophobicContact CG2-CG 3.71Å
594	T	95.1	Very high	95.2	Very high	56 Å²	56	48.3 Å²	48.3	34%	0.344	28%	0.279	S	S	.	.	H	α-helix	trans	-63.1	-49.1	178.8	-56.6	0	0	0	0	110.7	L590 Y591 T592 L596 T597 E598	L590-T594 WeakPolarHBondContact O-CB 2.86Å; L590-T594 PolarHBondContact O-N 3.49Å; L590-T594 PolarHBondContact O-OG1 3.41Å; Y591-T594 WeakPolarHBondContact O-CB 3.49Å; Y591-T594 PolarHBondContact O-N 2.98Å; Y591-T594 VanDerWaalsContact O-N 3.15Å; T592-T594 VanDerWaalsContact C-N 3.3Å; T592-T594 PolarHBondContact O-N 2.96Å; T594-L596 PolarHBondContact O-N 2.79Å; T594-T597 PolarHBondContact O-N 3.48Å; T594-E598 HydrophobicContact CG2-CG 4.43Å; T594-E598 WeakPolarHBondContact O-CB 3.33Å; T594-E598 WeakPolarHBondContact O-CG 3.18Å; T594-E598 PolarHBondContact O-N 2.9Å
595	V	94.4	Very high	95.2	Very high	55 Å²	55	52.3 Å²	52.3	33%	0.333	30%	0.3	S	S	.	.	H	α-helix	trans	-60.7	-45.3	178.9	172	0	0	0	0	111.9	Y591 T592 S599	Y591-V595 HydrophobicContact CD2-CG2 4Å; Y591-V595 HydrophobicContact CE1-CG2 4.25Å; Y591-V595 HydrophobicContact CE2-CG2 3.49Å; Y591-V595 VanDerWaalsContact CE2-CG2 3.49Å; Y591-V595 WeakPolarHBondContact O-CG2 3.42Å; Y591-V595 PolarHBondContact O-N 3.15Å; T592-V595 PolarHBondContact O-N 3.33Å; V595-S599 WeakPolarHBondContact O-CB 3.3Å; V595-S599 PolarHBondContact O-N 2.69Å; V595-S599 PolarHBondContact O-OG 3.36Å
596	L	95.4	Very high	95.3	Very high	11 Å²	11	52.1 Å²	52.1	6%	0.058	30%	0.299	C	S	.	.	H	α-helix	trans	-65.1	-41.6	178.1	-70.6	172.2	0	0	0	111.5	T592 T594 S599 A600 I606 D609 Y613 W628	T592-L596 HydrophobicContact CG2-CD1 4.08Å; T592-L596 WeakPolarHBondContact O-CG 3.43Å; T592-L596 PolarHBondContact O-N 3.34Å; T594-L596 PolarHBondContact O-N 2.79Å; L596-S599 PolarHBondContact O-N 2.77Å; L596-A600 WeakPolarHBondContact O-CB 3.32Å; L596-A600 PolarHBondContact O-N 2.83Å; L596-I606 HydrophobicContact CB-CD1 4.31Å; L596-I606 HydrophobicContact CD2-CB 4.45Å; L596-I606 HydrophobicContact CD2-CG2 4.43Å; L596-D609 HydrophobicContact CD2-CB 4.41Å; L596-Y613 HydrophobicContact CD1-CD2 4.1Å; L596-Y613 HydrophobicContact CD1-CE2 4.31Å; L596-Y613 HydrophobicContact CD2-CE2 4.32Å; L596-W628 HydrophobicContact CB-CH2 3.75Å; L596-W628 HydrophobicContact CB-CZ3 4.17Å; L596-W628 HydrophobicContact CD1-CH2 4.21Å; L596-W628 HydrophobicContact CD1-CZ3 3.75Å
597	T	95.1	Very high	95.4	Very high	52 Å²	52	52.4 Å²	52.4	32%	0.319	30%	0.3	S	S	.	.	H	α-helix	trans	-65	-46.4	178.9	-58	0	0	0	0	111.2	V593 T594 S599 A600 M601 W628	V593-T597 VanDerWaalsContact O-CB 3.24Å; V593-T597 WeakPolarHBondContact O-CB 3.16Å; V593-T597 PolarHBondContact O-N 3.24Å; V593-T597 PolarHBondContact O-OG1 3.47Å; T594-T597 PolarHBondContact O-N 3.48Å; T597-S599 VanDerWaalsContact C-N 3.33Å; T597-S599 PolarHBondContact O-N 3.38Å; T597-A600 PolarHBondContact O-N 3.04Å; T597-M601 HydrophobicContact CG2-SD 4.33Å; T597-M601 VanDerWaalsContact O-CG 3.31Å; T597-M601 WeakPolarHBondContact O-CG 3.49Å; T597-M601 PolarHBondContact O-N 2.61Å; T597-W628 WeakPolarHBondContact OG1-CZ2 3.37Å
598	E	95.2	Very high	95.4	Very high	102 Å²	102	51.5 Å²	51.5	48%	0.477	30%	0.299	S	S	.	.	H	α-helix	trans	-60.3	-43.7	176	-73.6	176.8	176	0	0	111.4	T594 A600 M601 M602	T594-E598 HydrophobicContact CG2-CG 4.43Å; T594-E598 WeakPolarHBondContact O-CB 3.33Å; T594-E598 WeakPolarHBondContact O-CG 3.18Å; T594-E598 PolarHBondContact O-N 2.9Å; E598-A600 VanDerWaalsContact C-N 3.34Å; E598-A600 PolarHBondContact O-N 3.07Å; E598-M601 WeakPolarHBondContact O-CB 3.29Å; E598-M601 PolarHBondContact O-N 3.13Å; E598-M601 VanDerWaalsContact O-N 3.15Å; E598-M602 WeakPolarHBondContact O-CG 3.41Å; E598-M602 PolarHBondContact O-N 2.83Å
599	S	94.8	Very high	95.4	Very high	36 Å²	36	55.2 Å²	55.2	25%	0.252	32%	0.319	S	S	.	.	H	α-helix	trans	-60.5	-43	176.6	-60.7	0	0	0	0	111.9	V595 L596 T597 M602 G603 T604	V595-S599 WeakPolarHBondContact O-CB 3.3Å; V595-S599 PolarHBondContact O-N 2.69Å; V595-S599 PolarHBondContact O-OG 3.36Å; L596-S599 PolarHBondContact O-N 2.77Å; T597-S599 VanDerWaalsContact C-N 3.33Å; T597-S599 PolarHBondContact O-N 3.38Å; S599-M602 PolarHBondContact O-N 3.13Å; S599-G603 PolarHBondContact O-N 3.43Å; S599-T604 VanDerWaalsContact O-CB 3.29Å; S599-T604 WeakPolarHBondContact O-CB 3.36Å; S599-T604 PolarHBondContact O-N 2.96Å; S599-T604 PolarHBondContact O-OG1 2.91Å
600	A	94.2	Very high	95.5	Very high	41 Å²	41	54.9 Å²	54.9	34%	0.339	32%	0.318	S	S	.	.	H	α-helix	trans	-64.4	-38.6	174.9	0	0	0	0	0	112.4	L596 T597 E598 M602 G603 I606	L596-A600 WeakPolarHBondContact O-CB 3.32Å; L596-A600 PolarHBondContact O-N 2.83Å; T597-A600 PolarHBondContact O-N 3.04Å; E598-A600 VanDerWaalsContact C-N 3.34Å; E598-A600 PolarHBondContact O-N 3.07Å; A600-M602 VanDerWaalsContact C-N 3.26Å; A600-M602 PolarHBondContact O-N 3.3Å; A600-G603 PolarHBondContact O-N 3.26Å; A600-I606 HydrophobicContact CB-CD1 3.8Å; A600-I606 HydrophobicContact CB-CG1 4.13Å
601	M	94.6	Very high	95.5	Very high	162 Å²	162	52.1 Å²	52.1	80%	0.798	30%	0.303	S	S	*	.	H	α-helix	trans	-65.6	-29.8	175.6	-69.1	178.4	85.1	0	0	112.4	T597 E598 G603	T597-M601 HydrophobicContact CG2-SD 4.33Å; T597-M601 VanDerWaalsContact O-CG 3.31Å; T597-M601 WeakPolarHBondContact O-CG 3.49Å; T597-M601 PolarHBondContact O-N 2.61Å; E598-M601 WeakPolarHBondContact O-CB 3.29Å; E598-M601 PolarHBondContact O-N 3.13Å; E598-M601 VanDerWaalsContact O-N 3.15Å; M601-G603 PolarHBondContact O-N 3.12Å
602	M	95.9	Very high	95.5	Very high	156 Å²	156	54 Å²	54	77%	0.768	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-2.4	172.4	-65.8	-176.9	-172.1	0	0	113.6	E598 S599 A600	E598-M602 WeakPolarHBondContact O-CG 3.41Å; E598-M602 PolarHBondContact O-N 2.83Å; S599-M602 PolarHBondContact O-N 3.13Å; A600-M602 VanDerWaalsContact C-N 3.26Å; A600-M602 PolarHBondContact O-N 3.3Å
603	G	93.4	Very high	95.6	Very high	68 Å²	68	56.1 Å²	56.1	70%	0.701	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	9.5	178.7	0	0	0	0	0	114.6	S599 A600 M601	S599-G603 PolarHBondContact O-N 3.43Å; A600-G603 PolarHBondContact O-N 3.26Å; M601-G603 PolarHBondContact O-N 3.12Å
604	T	95.4	Very high	95.6	Very high	82 Å²	82	55.6 Å²	55.6	50%	0.503	32%	0.321	S	S	.	.			trans	-71.6	137.5	173.1	-54.5	0	0	0	0	110.1	S599 I606	S599-T604 VanDerWaalsContact O-CB 3.29Å; S599-T604 WeakPolarHBondContact O-CB 3.36Å; S599-T604 PolarHBondContact O-N 2.96Å; S599-T604 PolarHBondContact O-OG1 2.91Å; T604-I606 PolarHBondContact O-N 3.01Å
605	D	94.7	Very high	95.6	Very high	85 Å²	85	56.7 Å²	56.7	46%	0.455	32%	0.324	S	S	.	.			trans	-78.6	105.5	175.7	-170.8	8.2	0	0	0	110.6	D607 K643	D605-D607 WeakPolarHBondContact OD1-CB 3.33Å; D605-D607 PolarHBondContact OD1-N 3.03Å; D605-K643 IonicContact OD1-NZ 3.6Å; D605-K643 PolarHBondContact OD1-NZ 2.91Å; D605-K643 WeakPolarHBondContact OD2-CE 3.23Å; D605-K643 IonicContact OD2-NZ 3.65Å; D605-K643 PolarHBondContact OD2-NZ 3.22Å
606	I	96.8	Very high	95.6	Very high	6 Å²	6	56.9 Å²	56.9	3%	0.031	32%	0.323	C	S	.	.			trans	-96.3	-2.3	-179.1	63.2	161	0	0	0	113.3	L596 A600 T604 G608 D609 V610 W628	L596-I606 HydrophobicContact CB-CD1 4.31Å; L596-I606 HydrophobicContact CD2-CB 4.45Å; L596-I606 HydrophobicContact CD2-CG2 4.43Å; A600-I606 HydrophobicContact CB-CD1 3.8Å; A600-I606 HydrophobicContact CB-CG1 4.13Å; T604-I606 PolarHBondContact O-N 3.01Å; I606-G608 VanDerWaalsContact C-N 3.27Å; I606-G608 PolarHBondContact O-N 3.44Å; I606-D609 PolarHBondContact O-N 3.5Å; I606-D609 VanDerWaalsContact O-N 3.14Å; I606-V610 HydrophobicContact CB-CG2 4.39Å; I606-V610 HydrophobicContact CD1-CG2 3.89Å; I606-V610 HydrophobicContact CG1-CG2 4.18Å; I606-V610 VanDerWaalsContact O-CG2 3.31Å; I606-V610 WeakPolarHBondContact O-CG2 3.37Å; I606-V610 PolarHBondContact O-N 3.02Å; I606-W628 HydrophobicContact CD1-CH2 4Å
607	D	96.6	Very high	95.7	Very high	9 Å²	9	56.4 Å²	56.4	5%	0.048	32%	0.32	C	S	.	.	H	α-helix	trans	-58.9	-38	-169.1	-73.5	-19.7	0	0	0	112.5	D605 L611 H632 S639 V640 K643 F644	D605-D607 WeakPolarHBondContact OD1-CB 3.33Å; D605-D607 PolarHBondContact OD1-N 3.03Å; D607-L611 WeakPolarHBondContact O-CG 3.17Å; D607-L611 PolarHBondContact O-N 3.16Å; D607-H632 IonicContact OD1-CD2 3.89Å; D607-H632 IonicContact OD1-CE1 2.79Å; D607-H632 IonicContact OD1-NE2 2.73Å; D607-H632 PolarHBondContact OD1-NE2 2.9Å; D607-S639 PolarHBondContact OD2-OG 2.79Å; D607-V640 HydrophobicContact CB-CG2 4.17Å; D607-K643 IonicContact OD2-NZ 3.34Å; D607-K643 PolarHBondContact OD2-NZ 2.7Å; D607-F644 HydrophobicContact CB-CD2 4.19Å; D607-F644 HydrophobicContact CB-CE2 3.65Å
608	G	96	Very high	95.7	Very high	17 Å²	17	57.2 Å²	57.2	18%	0.175	32%	0.32	C	S	.	.	H	α-helix	trans	-67.4	-46.3	176.8	0	0	0	0	0	112.4	I606 V610 L611 I612	I606-G608 VanDerWaalsContact C-N 3.27Å; I606-G608 PolarHBondContact O-N 3.44Å; G608-V610 VanDerWaalsContact C-N 3.35Å; G608-V610 PolarHBondContact O-N 2.75Å; G608-L611 WeakPolarHBondContact O-CB 3.31Å; G608-L611 PolarHBondContact O-N 3.3Å; G608-I612 WeakPolarHBondContact O-CG1 3.37Å; G608-I612 PolarHBondContact O-N 2.97Å
609	D	95.9	Very high	95.6	Very high	78 Å²	78	60.3 Å²	60.3	42%	0.417	33%	0.332	S	S	.	.	H	α-helix	trans	-61.8	-45	179.1	-59.1	-32.8	0	0	0	110.5	L596 I606 L611 I612 Y613	L596-D609 HydrophobicContact CD2-CB 4.41Å; I606-D609 PolarHBondContact O-N 3.5Å; I606-D609 VanDerWaalsContact O-N 3.14Å; D609-L611 PolarHBondContact O-N 2.83Å; D609-I612 PolarHBondContact O-N 2.9Å; D609-Y613 HydrophobicContact CB-CD2 4.24Å; D609-Y613 HydrophobicContact CB-CE2 4.34Å; D609-Y613 WeakPolarHBondContact O-CD2 3.36Å; D609-Y613 PolarHBondContact O-N 2.82Å
610	V	97.4	Very high	95.5	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59.4	-36.2	178.8	176.1	0	0	0	0	112	I606 G608 L614 W628 C629 H632 I633	I606-V610 HydrophobicContact CB-CG2 4.39Å; I606-V610 HydrophobicContact CD1-CG2 3.89Å; I606-V610 HydrophobicContact CG1-CG2 4.18Å; I606-V610 VanDerWaalsContact O-CG2 3.31Å; I606-V610 WeakPolarHBondContact O-CG2 3.37Å; I606-V610 PolarHBondContact O-N 3.02Å; G608-V610 VanDerWaalsContact C-N 3.35Å; G608-V610 PolarHBondContact O-N 2.75Å; V610-L614 PolarHBondContact O-N 3.35Å; V610-W628 HydrophobicContact CG1-CZ3 4.48Å; V610-W628 HydrophobicContact CG2-CH2 4.29Å; V610-W628 HydrophobicContact CG2-CZ3 3.85Å; V610-C629 HydrophobicContact CG1-CB 3.86Å; V610-H632 HydrophobicContact CG1-CB 4.14Å; V610-I633 HydrophobicContact CG1-CD1 4.11Å; V610-I633 HydrophobicContact CG1-CG1 3.91Å
611	L	97.1	Very high	95.5	Very high	5 Å²	5	61.4 Å²	61.4	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-65	-42.1	174.9	-73.7	167.7	0	0	0	111.6	D607 G608 D609 L614 I633 V640 F644 E647 M648 K651	D607-L611 WeakPolarHBondContact O-CG 3.17Å; D607-L611 PolarHBondContact O-N 3.16Å; G608-L611 WeakPolarHBondContact O-CB 3.31Å; G608-L611 PolarHBondContact O-N 3.3Å; D609-L611 PolarHBondContact O-N 2.83Å; L611-L614 PolarHBondContact O-N 2.92Å; L611-I633 HydrophobicContact CD2-CD1 3.74Å; L611-I633 HydrophobicContact CD2-CG1 4.2Å; L611-I633 HydrophobicContact CG-CD1 4.49Å; L611-V640 HydrophobicContact CD1-CG1 4.01Å; L611-V640 HydrophobicContact CD2-CG1 4.34Å; L611-V640 HydrophobicContact CG-CG1 4.38Å; L611-F644 HydrophobicContact CD1-CB 3.63Å; L611-F644 HydrophobicContact CD1-CD1 4.46Å; L611-F644 HydrophobicContact CD1-CD2 3.99Å; L611-F644 HydrophobicContact CD1-CG 3.77Å; L611-E647 HydrophobicContact CD1-CB 4.11Å; L611-M648 HydrophobicContact CD2-SD 3.77Å; L611-K651 PolarHBondContact O-NZ 3.28Å
612	I	95.8	Very high	95.5	Very high	97 Å²	97	53.7 Å²	53.7	50%	0.497	30%	0.297	S	S	.	.	H	α-helix	trans	-68.3	-46	178.4	-56.8	169.3	0	0	0	109.6	G608 D609 L614 D615 M616	G608-I612 WeakPolarHBondContact O-CG1 3.37Å; G608-I612 PolarHBondContact O-N 2.97Å; D609-I612 PolarHBondContact O-N 2.9Å; I612-L614 VanDerWaalsContact C-N 3.26Å; I612-L614 PolarHBondContact O-N 3.41Å; I612-D615 PolarHBondContact O-N 3.38Å; I612-M616 HydrophobicContact CB-CE 4.34Å; I612-M616 HydrophobicContact CG2-CE 3.5Å; I612-M616 HydrophobicContact CG2-SD 4.1Å; I612-M616 WeakPolarHBondContact O-CG 3.3Å; I612-M616 PolarHBondContact O-N 2.91Å
613	Y	96.6	Very high	95.5	Very high	50 Å²	50	52.7 Å²	52.7	20%	0.196	29%	0.291	C	S	.	.	H	α-helix	trans	-57.7	-36.2	176.6	-85.1	-71.1	0	0	0	112.8	M570 T592 L596 D609 D615 M616 A617 L625	M570-Y613 HydrophobicContact CE-CD1 3.57Å; M570-Y613 HydrophobicContact CE-CE1 4.12Å; M570-Y613 HydrophobicContact CG-CD1 3.82Å; M570-Y613 HydrophobicContact CG-CE1 3.67Å; T592-Y613 HydrophobicContact CG2-CD1 4.14Å; T592-Y613 HydrophobicContact CG2-CE1 3.73Å; L596-Y613 HydrophobicContact CD1-CD2 4.1Å; L596-Y613 HydrophobicContact CD1-CE2 4.31Å; L596-Y613 HydrophobicContact CD2-CE2 4.32Å; D609-Y613 HydrophobicContact CB-CD2 4.24Å; D609-Y613 HydrophobicContact CB-CE2 4.34Å; D609-Y613 WeakPolarHBondContact O-CD2 3.36Å; D609-Y613 PolarHBondContact O-N 2.82Å; Y613-D615 PolarHBondContact O-N 3.37Å; Y613-M616 HydrophobicContact CD1-CE 3.96Å; Y613-M616 HydrophobicContact CE1-CE 4.29Å; Y613-M616 HydrophobicContact CG-CE 4.22Å; Y613-M616 PolarHBondContact O-N 3.48Å; Y613-A617 WeakPolarHBondContact O-CB 3.42Å; Y613-A617 PolarHBondContact O-N 3.34Å; Y613-L625 HydrophobicContact CD1-CD2 4.27Å
614	L	97.5	Very high	95.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.2	-47.5	176.5	177	61.8	0	0	0	112.1	V610 L611 I612 Q618 T626 C629 L630 I633 F659	V610-L614 PolarHBondContact O-N 3.35Å; L611-L614 PolarHBondContact O-N 2.92Å; I612-L614 VanDerWaalsContact C-N 3.26Å; I612-L614 PolarHBondContact O-N 3.41Å; L614-Q618 HydrophobicContact CD1-CG 4.14Å; L614-Q618 WeakPolarHBondContact O-CB 3.36Å; L614-Q618 WeakPolarHBondContact O-CG 3.35Å; L614-Q618 PolarHBondContact O-N 3.15Å; L614-T626 HydrophobicContact CD1-CG2 4.07Å; L614-C629 HydrophobicContact CB-CB 3.98Å; L614-C629 HydrophobicContact CD1-CB 4.07Å; L614-L630 HydrophobicContact CD1-CD2 3.73Å; L614-L630 HydrophobicContact CD1-CG 3.77Å; L614-L630 HydrophobicContact CD2-CD2 3.94Å; L614-I633 HydrophobicContact CB-CD1 4.4Å; L614-I633 HydrophobicContact CD2-CD1 3.71Å; L614-F659 HydrophobicContact CD2-CE1 4.23Å; L614-F659 HydrophobicContact CD2-CZ 3.8Å
615	D	95	Very high	95.7	Very high	78 Å²	78	47.8 Å²	47.8	42%	0.417	24%	0.244	S	C	.	.	H	α-helix	trans	-68.4	-43.2	-177.2	-65.8	-20.9	0	0	0	110.7	I612 Y613 F619 K651	I612-D615 PolarHBondContact O-N 3.38Å; Y613-D615 PolarHBondContact O-N 3.37Å; D615-F619 VanDerWaalsContact O-CB 3.26Å; D615-F619 WeakPolarHBondContact O-CB 3.46Å; D615-F619 PolarHBondContact O-N 3.21Å; D615-K651 WeakPolarHBondContact OD1-CD 3.42Å; D615-K651 IonicContact OD1-NZ 3.84Å; D615-K651 PolarHBondContact OD1-NZ 3.18Å; D615-K651 IonicContact OD2-NZ 2.86Å; D615-K651 PolarHBondContact OD2-NZ 3Å
616	M	94.7	Very high	95.9	Very high	60 Å²	60	44.2 Å²	44.2	30%	0.296	23%	0.225	S	C	.	.	H	α-helix	trans	-65.4	-43.9	178.9	-62.8	-173.1	-68.6	0	0	111.7	M570 I612 Y613 F619 H620	M570-M616 HydrophobicContact CB-CE 4.45Å; M570-M616 HydrophobicContact CB-SD 4.27Å; M570-M616 HydrophobicContact CE-CB 4.35Å; M570-M616 HydrophobicContact CG-CB 4.01Å; M570-M616 HydrophobicContact CG-CE 3.72Å; M570-M616 HydrophobicContact CG-SD 3.98Å; M570-M616 HydrophobicContact SD-CB 3.65Å; I612-M616 HydrophobicContact CB-CE 4.34Å; I612-M616 HydrophobicContact CG2-CE 3.5Å; I612-M616 HydrophobicContact CG2-SD 4.1Å; I612-M616 WeakPolarHBondContact O-CG 3.3Å; I612-M616 PolarHBondContact O-N 2.91Å; Y613-M616 HydrophobicContact CD1-CE 3.96Å; Y613-M616 HydrophobicContact CE1-CE 4.29Å; Y613-M616 HydrophobicContact CG-CE 4.22Å; Y613-M616 PolarHBondContact O-N 3.48Å; M616-F619 PolarHBondContact O-N 3.43Å; M616-H620 WeakPolarHBondContact O-CB 3.45Å; M616-H620 PolarHBondContact O-CD2 3.29Å; M616-H620 VanDerWaalsContact O-CD2 3.29Å; M616-H620 PolarHBondContact O-N 2.91Å
617	A	96.1	Very high	95.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-42.7	179.6	0	0	0	0	0	111.7	M570 Y613 G621 A622 L625 T626	M570-A617 HydrophobicContact CE-CB 3.89Å; Y613-A617 WeakPolarHBondContact O-CB 3.42Å; Y613-A617 PolarHBondContact O-N 3.34Å; A617-G621 PolarHBondContact O-N 2.74Å; A617-A622 HydrophobicContact CB-CB 4Å; A617-A622 PolarHBondContact O-N 3.1Å; A617-L625 HydrophobicContact CB-CB 4.34Å; A617-L625 HydrophobicContact CB-CD2 4.29Å; A617-L625 HydrophobicContact CB-CG 4.12Å; A617-T626 WeakPolarHBondContact CB-OG1 3.31Å
618	Q	95.8	Very high	96	Very high	70 Å²	70	45.5 Å²	45.5	33%	0.327	24%	0.238	S	C	.	.	H	α-helix	trans	-64.8	-44.4	175.9	-76.1	-179.3	-32.7	0	0	111.6	L614 H620 G621 T626 N655	L614-Q618 HydrophobicContact CD1-CG 4.14Å; L614-Q618 WeakPolarHBondContact O-CB 3.36Å; L614-Q618 WeakPolarHBondContact O-CG 3.35Å; L614-Q618 PolarHBondContact O-N 3.15Å; Q618-H620 PolarHBondContact O-N 3.38Å; Q618-G621 PolarHBondContact O-N 3.16Å; Q618-T626 HydrophobicContact CG-CG2 3.49Å; Q618-T626 VanDerWaalsContact CG-CG2 3.49Å; Q618-T626 PolarHBondContact N-OG1 2.9Å; Q618-N655 PolarHBondContact NE2-OD1 2.86Å; Q618-N655 PolarHBondContact OE1-ND2 3.08Å
619	F	93.9	Very high	96.1	Very high	167 Å²	167	44.7 Å²	44.7	73%	0.732	23%	0.229	S	C	*	.	H	α-helix	trans	-65	-39	-179.3	-177	-100.5	0	0	0	112.7	D615 M616	D615-F619 VanDerWaalsContact O-CB 3.26Å; D615-F619 WeakPolarHBondContact O-CB 3.46Å; D615-F619 PolarHBondContact O-N 3.21Å; M616-F619 PolarHBondContact O-N 3.43Å
620	H	92.8	Very high	96.2	Very high	65 Å²	65	41.7 Å²	41.7	30%	0.301	21%	0.213	S	C	.	.	H	α-helix	trans	-95.7	4.8	-178.4	-66.6	-63.7	0	0	0	114.5	V574 N577 M616 Q618	V574-H620 HydrophobicContact CG2-CB 4.28Å; V574-H620 VanDerWaalsContact CG2-CD2 3.48Å; V574-H620 WeakPolarHBondContact CG2-CD2 3.31Å; V574-H620 WeakPolarHBondContact CG2-CE1 3.36Å; V574-H620 WeakPolarHBondContact CG2-ND1 3.5Å; V574-H620 WeakPolarHBondContact CG2-NE2 3.47Å; N577-H620 PolarHBondContact ND2-O 2.86Å; M616-H620 WeakPolarHBondContact O-CB 3.45Å; M616-H620 PolarHBondContact O-CD2 3.29Å; M616-H620 VanDerWaalsContact O-CD2 3.29Å; M616-H620 PolarHBondContact O-N 2.91Å; Q618-H620 PolarHBondContact O-N 3.38Å
621	G	92.5	Very high	96.2	Very high	34 Å²	34	43.2 Å²	43.2	35%	0.351	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	23.5	174.7	0	0	0	0	0	115.4	A617 Q618 Q623	A617-G621 PolarHBondContact O-N 2.74Å; Q618-G621 PolarHBondContact O-N 3.16Å; G621-Q623 PolarHBondContact O-N 2.67Å; G621-Q623 VanDerWaalsContact O-N 3.13Å
622	A	95.6	Very high	96.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.			trans	-79.6	86.5	171	0	0	0	0	0	110.3	I573 E589 A617 L625 T626	I573-A622 HydrophobicContact CD1-CB 4.26Å; I573-A622 HydrophobicContact CG2-CB 4.07Å; E589-A622 HydrophobicContact CG-CB 4.19Å; E589-A622 WeakPolarHBondContact OE1-CA 3.47Å; E589-A622 WeakPolarHBondContact OE1-CB 3.3Å; A617-A622 HydrophobicContact CB-CB 4Å; A617-A622 PolarHBondContact O-N 3.1Å; A622-L625 HydrophobicContact CB-CB 4.29Å; A622-T626 WeakPolarHBondContact O-CB 3.47Å; A622-T626 PolarHBondContact O-N 2.87Å; A622-T626 PolarHBondContact O-OG1 2.83Å
623	Q	95.1	Very high	96.3	Very high	136 Å²	136	39.5 Å²	39.5	64%	0.636	20%	0.2	S	C	*	.	H	α-helix	trans	-69.1	-39.6	-169.2	-61.6	-59	-32.6	0	0	113.4	E589 G621 T626 G627	E589-Q623 PolarHBondContact OE1-N 2.8Å; G621-Q623 PolarHBondContact O-N 2.67Å; G621-Q623 VanDerWaalsContact O-N 3.13Å; Q623-T626 WeakPolarHBondContact O-CB 3.46Å; Q623-T626 PolarHBondContact O-N 3.5Å; Q623-G627 PolarHBondContact O-N 3.09Å
624	Q	97.2	Very high	96.3	Very high	46 Å²	46	37.2 Å²	37.2	22%	0.215	19%	0.192	C	C	.	.	H	α-helix	trans	-73.6	-40.8	-176.1	-51.9	-170.7	78.5	0	0	110.5	I267 T268 E589 G627 W628	I267-Q624 HydrophobicContact CD1-CB 3.62Å; I267-Q624 HydrophobicContact CG2-CB 4.25Å; T268-Q624 PolarHBondContact O-NE2 3.01Å; T268-Q624 PolarHBondContact O-OE1 3.27Å; T268-Q624 PolarHBondContact OG1-OE1 3.23Å; E589-Q624 WeakPolarHBondContact OE1-CA 3.45Å; E589-Q624 WeakPolarHBondContact OE1-CB 2.89Å; E589-Q624 PolarHBondContact OE1-N 2.93Å; E589-Q624 WeakPolarHBondContact OE2-CG 3.32Å; E589-Q624 PolarHBondContact OE2-NE2 2.94Å; E589-Q624 VanDerWaalsContact OE2-NE2 3.11Å; Q624-G627 PolarHBondContact O-N 3.3Å; Q624-W628 PolarHBondContact O-N 2.72Å
625	L	97.4	Very high	96.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.6	-40.4	174.1	-179.6	56.3	0	0	0	111.5	M570 I573 E589 T592 V593 Y613 A617 A622 G627 W628 C629	M570-L625 HydrophobicContact CE-CD2 3.16Å; M570-L625 HydrophobicContact CE-CG 4.32Å; I573-L625 HydrophobicContact CD1-CD2 4.24Å; E589-L625 HydrophobicContact CB-CB 4.33Å; E589-L625 HydrophobicContact CG-CB 4Å; E589-L625 PolarHBondContact OE1-N 3.28Å; T592-L625 HydrophobicContact CG2-CD1 4.12Å; T592-L625 HydrophobicContact CG2-CD2 3.95Å; V593-L625 HydrophobicContact CG2-CD1 3.71Å; Y613-L625 HydrophobicContact CD1-CD2 4.27Å; A617-L625 HydrophobicContact CB-CB 4.34Å; A617-L625 HydrophobicContact CB-CD2 4.29Å; A617-L625 HydrophobicContact CB-CG 4.12Å; A622-L625 HydrophobicContact CB-CB 4.29Å; L625-G627 VanDerWaalsContact C-N 3.34Å; L625-G627 PolarHBondContact O-N 3.34Å; L625-W628 HydrophobicContact CD1-CE3 4.47Å; L625-W628 PolarHBondContact O-N 3.48Å; L625-C629 PolarHBondContact O-N 2.86Å; L625-C629 PolarHBondContact O-SG 3.46Å
626	T	97.8	Very high	96.3	Very high	11 Å²	11	36.1 Å²	36.1	7%	0.067	19%	0.186	C	C	.	.	H	α-helix	trans	-54.6	-50.4	171.5	-65.5	0	0	0	0	111.1	L614 A617 Q618 A622 Q623 W628 C629 L630	L614-T626 HydrophobicContact CD1-CG2 4.07Å; A617-T626 WeakPolarHBondContact CB-OG1 3.31Å; Q618-T626 HydrophobicContact CG-CG2 3.49Å; Q618-T626 VanDerWaalsContact CG-CG2 3.49Å; Q618-T626 PolarHBondContact N-OG1 2.9Å; A622-T626 WeakPolarHBondContact O-CB 3.47Å; A622-T626 PolarHBondContact O-N 2.87Å; A622-T626 PolarHBondContact O-OG1 2.83Å; Q623-T626 WeakPolarHBondContact O-CB 3.46Å; Q623-T626 PolarHBondContact O-N 3.5Å; T626-W628 VanDerWaalsContact C-N 3.29Å; T626-W628 PolarHBondContact O-N 2.88Å; T626-C629 PolarHBondContact O-N 3.24Å; T626-L630 HydrophobicContact CG2-CD1 4.01Å; T626-L630 HydrophobicContact CG2-CG 4.37Å; T626-L630 WeakPolarHBondContact O-CB 3.44Å; T626-L630 WeakPolarHBondContact O-CG 3.34Å; T626-L630 PolarHBondContact O-N 3.04Å
627	G	97.5	Very high	96.3	Very high	27 Å²	27	35.3 Å²	35.3	28%	0.278	18%	0.18	S	C	.	.	H	α-helix	trans	-58.6	-40.5	178.3	0	0	0	0	0	112.7	Q623 Q624 L625 H631	Q623-G627 PolarHBondContact O-N 3.09Å; Q624-G627 PolarHBondContact O-N 3.3Å; L625-G627 VanDerWaalsContact C-N 3.34Å; L625-G627 PolarHBondContact O-N 3.34Å; G627-H631 WeakPolarHBondContact O-CB 2.99Å; G627-H631 PolarHBondContact O-N 2.99Å
628	W	98	Very high	96.2	Very high	15 Å²	15	37.7 Å²	37.7	6%	0.057	19%	0.193	C	C	.	.	H	α-helix	trans	-68.1	-44.5	176.7	-172.4	94	0	0	0	112.9	P265 I267 V593 L596 T597 I606 V610 Q624 L625 T626 L630 H631 H632	P265-W628 HydrophobicContact CG-CB 3.97Å; P265-W628 HydrophobicContact CG-CG 4.43Å; I267-W628 HydrophobicContact CD1-CB 4.44Å; V593-W628 HydrophobicContact CB-CD2 4.48Å; V593-W628 HydrophobicContact CB-CG 4.47Å; V593-W628 HydrophobicContact CG1-CD2 4.02Å; V593-W628 HydrophobicContact CG1-CG 3.93Å; V593-W628 HydrophobicContact CG1-CZ2 4.39Å; V593-W628 HydrophobicContact CG2-CB 3.95Å; V593-W628 HydrophobicContact CG2-CD2 3.89Å; V593-W628 HydrophobicContact CG2-CE3 4.27Å; V593-W628 HydrophobicContact CG2-CG 3.71Å; L596-W628 HydrophobicContact CB-CH2 3.75Å; L596-W628 HydrophobicContact CB-CZ3 4.17Å; L596-W628 HydrophobicContact CD1-CH2 4.21Å; L596-W628 HydrophobicContact CD1-CZ3 3.75Å; T597-W628 WeakPolarHBondContact OG1-CZ2 3.37Å; I606-W628 HydrophobicContact CD1-CH2 4Å; V610-W628 HydrophobicContact CG1-CZ3 4.48Å; V610-W628 HydrophobicContact CG2-CH2 4.29Å; V610-W628 HydrophobicContact CG2-CZ3 3.85Å; Q624-W628 PolarHBondContact O-N 2.72Å; L625-W628 HydrophobicContact CD1-CE3 4.47Å; L625-W628 PolarHBondContact O-N 3.48Å; T626-W628 VanDerWaalsContact C-N 3.29Å; T626-W628 PolarHBondContact O-N 2.88Å; W628-L630 PolarHBondContact O-N 3.47Å; W628-H631 WeakPolarHBondContact O-CB 2.71Å; W628-H631 PolarHBondContact O-N 2.91Å; W628-H632 HydrophobicContact CH2-CB 4.45Å; W628-H632 HydrophobicContact CZ3-CB 4.39Å; W628-H632 PolarHBondContact O-N 2.93Å
629	C	98	Very high	96.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.2	-46.6	176.7	-69.1	0	0	0	0	111.6	V610 L614 L625 T626 H631 H632 I633	V610-C629 HydrophobicContact CG1-CB 3.86Å; L614-C629 HydrophobicContact CB-CB 3.98Å; L614-C629 HydrophobicContact CD1-CB 4.07Å; L625-C629 PolarHBondContact O-N 2.86Å; L625-C629 PolarHBondContact O-SG 3.46Å; T626-C629 PolarHBondContact O-N 3.24Å; C629-H631 VanDerWaalsContact C-N 3.29Å; C629-H631 PolarHBondContact O-N 3.07Å; C629-H632 PolarHBondContact O-N 3.48Å; C629-I633 WeakPolarHBondContact O-CD1 3.32Å; C629-I633 VanDerWaalsContact O-CG1 3.31Å; C629-I633 WeakPolarHBondContact O-CG1 3.36Å; C629-I633 PolarHBondContact O-N 3.24Å
630	L	97.9	Very high	96.3	Very high	15 Å²	15	28.6 Å²	28.6	8%	0.079	16%	0.158	C	C	.	.	H	α-helix	trans	-56.6	-44.7	174.7	-73.4	176.5	0	0	0	111.2	L614 T626 W628 C634 Y658 F659	L614-L630 HydrophobicContact CD1-CD2 3.73Å; L614-L630 HydrophobicContact CD1-CG 3.77Å; L614-L630 HydrophobicContact CD2-CD2 3.94Å; T626-L630 HydrophobicContact CG2-CD1 4.01Å; T626-L630 HydrophobicContact CG2-CG 4.37Å; T626-L630 WeakPolarHBondContact O-CB 3.44Å; T626-L630 WeakPolarHBondContact O-CG 3.34Å; T626-L630 PolarHBondContact O-N 3.04Å; W628-L630 PolarHBondContact O-N 3.47Å; L630-C634 VanDerWaalsContact O-CB 3.31Å; L630-C634 WeakPolarHBondContact O-CB 3.43Å; L630-C634 PolarHBondContact O-N 2.89Å; L630-C634 PolarHBondContact O-SG 3Å; L630-Y658 HydrophobicContact CB-CD1 4.32Å; L630-Y658 HydrophobicContact CB-CE1 3.77Å; L630-Y658 HydrophobicContact CD1-CD1 4.36Å; L630-Y658 HydrophobicContact CD1-CE1 4.12Å; L630-Y658 HydrophobicContact CD1-CE2 4.33Å; L630-Y658 HydrophobicContact CD2-CD1 3.99Å; L630-Y658 HydrophobicContact CD2-CE1 4.29Å; L630-Y658 HydrophobicContact CG-CD1 4.46Å; L630-Y658 HydrophobicContact CG-CE1 4.29Å; L630-F659 HydrophobicContact CD2-CD1 4.44Å; L630-F659 HydrophobicContact CD2-CE1 3.67Å; L630-F659 HydrophobicContact CD2-CZ 4.42Å
631	H	97.3	Very high	96.4	Very high	32 Å²	32	27.1 Å²	27.1	15%	0.148	15%	0.154	C	C	.	.	H	α-helix	trans	-61	-49.4	176.9	175.8	88	0	0	0	112.5	P262 P263 P264 P265 G627 W628 C629 I633 C634 T635	P262-H631 PolarHBondContact O-CE1 3.35Å; P262-H631 VanDerWaalsContact O-CE1 3.22Å; P263-H631 PolarHBondContact O-CE1 3.34Å; P263-H631 PolarHBondContact O-ND1 2.97Å; P264-H631 WeakPolarHBondContact CA-NE2 3.38Å; P265-H631 HydrophobicContact CG-CB 4.19Å; G627-H631 WeakPolarHBondContact O-CB 2.99Å; G627-H631 PolarHBondContact O-N 2.99Å; W628-H631 WeakPolarHBondContact O-CB 2.71Å; W628-H631 PolarHBondContact O-N 2.91Å; C629-H631 VanDerWaalsContact C-N 3.29Å; C629-H631 PolarHBondContact O-N 3.07Å; H631-I633 PolarHBondContact O-N 3.18Å; H631-C634 PolarHBondContact O-N 3.29Å; H631-T635 WeakPolarHBondContact O-CB 2.78Å; H631-T635 VanDerWaalsContact O-CG2 3.28Å; H631-T635 WeakPolarHBondContact O-CG2 3.35Å; H631-T635 PolarHBondContact O-N 3.16Å; H631-T635 PolarHBondContact O-OG1 2.78Å
632	H	97.3	Very high	96.5	Very high	23 Å²	23	35.3 Å²	35.3	11%	0.106	18%	0.175	C	C	.	.	H	α-helix	trans	-59.9	-45.7	179.5	179.6	83.2	0	0	0	111.5	D607 V610 W628 C629 T635 N636	D607-H632 IonicContact OD1-CD2 3.89Å; D607-H632 IonicContact OD1-CE1 2.79Å; D607-H632 IonicContact OD1-NE2 2.73Å; D607-H632 PolarHBondContact OD1-NE2 2.9Å; V610-H632 HydrophobicContact CG1-CB 4.14Å; W628-H632 HydrophobicContact CH2-CB 4.45Å; W628-H632 HydrophobicContact CZ3-CB 4.39Å; W628-H632 PolarHBondContact O-N 2.93Å; C629-H632 PolarHBondContact O-N 3.48Å; H632-T635 PolarHBondContact O-N 3.43Å; H632-T635 PolarHBondContact O-OG1 3.46Å; H632-N636 PolarHBondContact CE1-ND2 2.62Å; H632-N636 VanDerWaalsContact CE1-ND2 3.3Å; H632-N636 PolarHBondContact ND1-ND2 3.08Å; H632-N636 WeakPolarHBondContact O-CB 3.38Å; H632-N636 PolarHBondContact O-N 2.9Å; H632-N636 PolarHBondContact O-ND2 3.33Å
633	I	97.6	Very high	96.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-47.6	178.5	-66.5	160.9	0	0	0	110.7	V610 L611 L614 C629 H631 T635 N636 Y637 V640 M648 F659	V610-I633 HydrophobicContact CG1-CD1 4.11Å; V610-I633 HydrophobicContact CG1-CG1 3.91Å; L611-I633 HydrophobicContact CD2-CD1 3.74Å; L611-I633 HydrophobicContact CD2-CG1 4.2Å; L611-I633 HydrophobicContact CG-CD1 4.49Å; L614-I633 HydrophobicContact CB-CD1 4.4Å; L614-I633 HydrophobicContact CD2-CD1 3.71Å; C629-I633 WeakPolarHBondContact O-CD1 3.32Å; C629-I633 VanDerWaalsContact O-CG1 3.31Å; C629-I633 WeakPolarHBondContact O-CG1 3.36Å; C629-I633 PolarHBondContact O-N 3.24Å; H631-I633 PolarHBondContact O-N 3.18Å; I633-T635 VanDerWaalsContact C-N 3.34Å; I633-T635 PolarHBondContact O-N 3.5Å; I633-N636 CarbonylContact O-C 3.56Å; I633-N636 PolarHBondContact O-N 2.96Å; I633-Y637 WeakPolarHBondContact O-CA 3.48Å; I633-Y637 PolarHBondContact O-N 2.94Å; I633-V640 HydrophobicContact CG2-CG1 4.45Å; I633-M648 HydrophobicContact CG2-CE 3.89Å; I633-M648 HydrophobicContact CG2-SD 3.99Å; I633-F659 HydrophobicContact CB-CE1 4.16Å; I633-F659 HydrophobicContact CD1-CE1 4.25Å; I633-F659 HydrophobicContact CD1-CZ 4.24Å; I633-F659 HydrophobicContact CG2-CD1 3.88Å; I633-F659 HydrophobicContact CG2-CE1 3.66Å; I633-F659 HydrophobicContact CG2-CE2 4.44Å; I633-F659 HydrophobicContact CG2-CG 4.36Å; I633-F659 HydrophobicContact CG2-CZ 3.97Å
634	C	97.3	Very high	96.7	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.02	17%	0.174	C	C	.	.	H	α-helix	trans	-64.1	-40	-179.3	-70.7	0	0	0	0	112.1	L630 H631 N636 Y637 H662 R663 W664	L630-C634 VanDerWaalsContact O-CB 3.31Å; L630-C634 WeakPolarHBondContact O-CB 3.43Å; L630-C634 PolarHBondContact O-N 2.89Å; L630-C634 PolarHBondContact O-SG 3Å; H631-C634 PolarHBondContact O-N 3.29Å; C634-N636 VanDerWaalsContact C-N 3.34Å; C634-Y637 WeakPolarHBondContact O-CB 3.38Å; C634-Y637 PolarHBondContact O-N 3.31Å; C634-H662 HydrophobicContact CB-CB 4.28Å; C634-R663 CarbonylContact O-C 3.58Å; C634-R663 WeakPolarHBondContact O-CA 3.39Å; C634-W664 PolarHBondContact O-N 2.8Å
635	T	96.1	Very high	96.6	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-80.1	-17.1	-176.1	61.2	0	0	0	0	114.4	K261 P262 H631 H632 I633	K261-T635 HydrophobicContact CG-CG2 4.35Å; P262-T635 HydrophobicContact CG-CG2 3.55Å; H631-T635 WeakPolarHBondContact O-CB 2.78Å; H631-T635 VanDerWaalsContact O-CG2 3.28Å; H631-T635 WeakPolarHBondContact O-CG2 3.35Å; H631-T635 PolarHBondContact O-N 3.16Å; H631-T635 PolarHBondContact O-OG1 2.78Å; H632-T635 PolarHBondContact O-N 3.43Å; H632-T635 PolarHBondContact O-OG1 3.46Å; I633-T635 VanDerWaalsContact C-N 3.34Å; I633-T635 PolarHBondContact O-N 3.5Å
636	N	95.4	Very high	96.6	Very high	49 Å²	49	46.2 Å²	46.2	26%	0.262	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114	20.9	172.9	-58.1	-65.9	0	0	0	111.9	K261 H632 I633 C634 N638 S639 V640	K261-N636 PolarHBondContact NZ-OD1 3.09Å; H632-N636 PolarHBondContact CE1-ND2 2.62Å; H632-N636 VanDerWaalsContact CE1-ND2 3.3Å; H632-N636 PolarHBondContact ND1-ND2 3.08Å; H632-N636 WeakPolarHBondContact O-CB 3.38Å; H632-N636 PolarHBondContact O-N 2.9Å; H632-N636 PolarHBondContact O-ND2 3.33Å; I633-N636 CarbonylContact O-C 3.56Å; I633-N636 PolarHBondContact O-N 2.96Å; C634-N636 VanDerWaalsContact C-N 3.34Å; N636-N638 VanDerWaalsContact C-N 3.33Å; N636-N638 PolarHBondContact O-N 3.3Å; N636-N638 VanDerWaalsContact O-N 3.12Å; N636-S639 WeakPolarHBondContact O-CA 3.44Å; N636-S639 WeakPolarHBondContact O-CB 3.42Å; N636-S639 PolarHBondContact O-N 2.86Å; N636-V640 HydrophobicContact CB-CG2 4.19Å; N636-V640 PolarHBondContact O-N 3.23Å
637	Y	95.8	Very high	96.5	Very high	42 Å²	42	49.7 Å²	49.7	17%	0.165	24%	0.236	C	C	.	.	H	α-helix	trans	-50.5	-46	-166.6	-178.3	-94.9	0	0	0	114.1	I633 C634 S639 V640 C641 M648 F659 R663	I633-Y637 WeakPolarHBondContact O-CA 3.48Å; I633-Y637 PolarHBondContact O-N 2.94Å; C634-Y637 WeakPolarHBondContact O-CB 3.38Å; C634-Y637 PolarHBondContact O-N 3.31Å; Y637-S639 VanDerWaalsContact C-N 3.31Å; Y637-S639 PolarHBondContact O-N 3.41Å; Y637-V640 PolarHBondContact O-N 2.92Å; Y637-C641 VanDerWaalsContact CE1-SG 3.51Å; Y637-C641 VanDerWaalsContact CE2-SG 3.54Å; Y637-C641 VanDerWaalsContact O-CB 3.28Å; Y637-C641 WeakPolarHBondContact O-CB 3.42Å; Y637-C641 PolarHBondContact O-N 3.08Å; Y637-C641 PolarHBondContact O-SG 3.44Å; Y637-M648 HydrophobicContact CD2-CE 3.92Å; Y637-M648 HydrophobicContact CE2-CE 3.59Å; Y637-F659 HydrophobicContact CD2-CB 3.96Å; Y637-F659 HydrophobicContact CE2-CB 3.57Å; Y637-F659 HydrophobicContact CE2-CG 4.41Å; Y637-R663 HydrophobicContact CD1-CB 4.05Å; Y637-R663 HydrophobicContact CD2-CB 4.2Å; Y637-R663 HydrophobicContact CG-CB 3.79Å
638	N	93.7	Very high	96.4	Very high	51 Å²	51	49 Å²	49	27%	0.273	23%	0.225	S	C	.	.	H	α-helix	trans	-64.4	-34.3	-179.8	-71.3	-19.4	0	0	0	112.9	N636 R642	N636-N638 VanDerWaalsContact C-N 3.33Å; N636-N638 PolarHBondContact O-N 3.3Å; N636-N638 VanDerWaalsContact O-N 3.12Å; N638-R642 WeakPolarHBondContact O-CD 3.2Å; N638-R642 WeakPolarHBondContact O-CG 3.44Å; N638-R642 PolarHBondContact O-N 2.65Å
639	S	94.8	Very high	96.2	Very high	46 Å²	46	56.1 Å²	56.1	32%	0.322	26%	0.257	S	S	.	.	H	α-helix	trans	-70.8	-52.9	175.5	177.5	0	0	0	0	109.8	D607 N636 Y637 C641 R642 K643	D607-S639 PolarHBondContact OD2-OG 2.79Å; N636-S639 WeakPolarHBondContact O-CA 3.44Å; N636-S639 WeakPolarHBondContact O-CB 3.42Å; N636-S639 PolarHBondContact O-N 2.86Å; Y637-S639 VanDerWaalsContact C-N 3.31Å; Y637-S639 PolarHBondContact O-N 3.41Å; S639-C641 PolarHBondContact O-N 3.47Å; S639-R642 PolarHBondContact O-N 2.91Å; S639-R642 VanDerWaalsContact O-N 3.08Å; S639-K643 WeakPolarHBondContact O-CG 3.47Å; S639-K643 PolarHBondContact O-N 2.67Å; S639-K643 WeakPolarHBondContact OG-CE 3.5Å
640	V	96.4	Very high	96.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.5	-46.1	-178.2	-178.9	0	0	0	0	111	D607 L611 I633 N636 Y637 R642 K643 F644 M648	D607-V640 HydrophobicContact CB-CG2 4.17Å; L611-V640 HydrophobicContact CD1-CG1 4.01Å; L611-V640 HydrophobicContact CD2-CG1 4.34Å; L611-V640 HydrophobicContact CG-CG1 4.38Å; I633-V640 HydrophobicContact CG2-CG1 4.45Å; N636-V640 HydrophobicContact CB-CG2 4.19Å; N636-V640 PolarHBondContact O-N 3.23Å; Y637-V640 PolarHBondContact O-N 2.92Å; V640-R642 VanDerWaalsContact C-N 3.28Å; V640-R642 PolarHBondContact O-N 3.47Å; V640-K643 PolarHBondContact O-N 3.47Å; V640-F644 HydrophobicContact CG1-CD2 4.45Å; V640-F644 PolarHBondContact O-N 3.12Å; V640-M648 HydrophobicContact CG1-CG 4.14Å; V640-M648 HydrophobicContact CG1-SD 3.76Å
641	C	95.3	Very high	96	Very high	33 Å²	33	60 Å²	60	22%	0.223	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-30.5	178.4	-71.3	0	0	0	0	113.8	Y637 S639	Y637-C641 VanDerWaalsContact CE1-SG 3.51Å; Y637-C641 VanDerWaalsContact CE2-SG 3.54Å; Y637-C641 VanDerWaalsContact O-CB 3.28Å; Y637-C641 WeakPolarHBondContact O-CB 3.42Å; Y637-C641 PolarHBondContact O-N 3.08Å; Y637-C641 PolarHBondContact O-SG 3.44Å; S639-C641 PolarHBondContact O-N 3.47Å
642	R	95.9	Very high	95.9	Very high	207 Å²	207	61.1 Å²	61.1	78%	0.781	30%	0.3	S	S	*	.	H	α-helix	trans	-74.8	-39.7	176.6	-74.9	172.3	-172	171.5	3.2	111.5	N638 S639 V640	N638-R642 WeakPolarHBondContact O-CD 3.2Å; N638-R642 WeakPolarHBondContact O-CG 3.44Å; N638-R642 PolarHBondContact O-N 2.65Å; S639-R642 PolarHBondContact O-N 2.91Å; S639-R642 VanDerWaalsContact O-N 3.08Å; V640-R642 VanDerWaalsContact C-N 3.28Å; V640-R642 PolarHBondContact O-N 3.47Å
643	K	96.8	Very high	95.8	Very high	92 Å²	92	65.1 Å²	65.1	40%	0.4	33%	0.326	S	S	.	.	H	α-helix	trans	-77.9	-42.7	-178.8	-65.8	177.7	-175.2	175.1	0	112.5	D605 D607 S639 V640 P645	D605-K643 IonicContact OD1-NZ 3.6Å; D605-K643 PolarHBondContact OD1-NZ 2.91Å; D605-K643 WeakPolarHBondContact OD2-CE 3.23Å; D605-K643 IonicContact OD2-NZ 3.65Å; D605-K643 PolarHBondContact OD2-NZ 3.22Å; D607-K643 IonicContact OD2-NZ 3.34Å; D607-K643 PolarHBondContact OD2-NZ 2.7Å; S639-K643 WeakPolarHBondContact O-CG 3.47Å; S639-K643 PolarHBondContact O-N 2.67Å; S639-K643 WeakPolarHBondContact OG-CE 3.5Å; V640-K643 PolarHBondContact O-N 3.47Å; K643-P645 WeakPolarHBondContact O-CD 3.48Å
644	F	96.8	Very high	95.7	Very high	51 Å²	51	72.3 Å²	72.3	22%	0.224	36%	0.36	C	S	.	.			trans	-125.6	57.6	-170.1	-57.8	-76.2	0	0	0	113.1	D607 L611 V640 R646 E647 M648	D607-F644 HydrophobicContact CB-CD2 4.19Å; D607-F644 HydrophobicContact CB-CE2 3.65Å; L611-F644 HydrophobicContact CD1-CB 3.63Å; L611-F644 HydrophobicContact CD1-CD1 4.46Å; L611-F644 HydrophobicContact CD1-CD2 3.99Å; L611-F644 HydrophobicContact CD1-CG 3.77Å; V640-F644 HydrophobicContact CG1-CD2 4.45Å; V640-F644 PolarHBondContact O-N 3.12Å; F644-R646 VanDerWaalsContact C-N 3.3Å; F644-R646 PolarHBondContact O-N 2.86Å; F644-E647 WeakPolarHBondContact CA-OE2 3.45Å; F644-E647 HydrophobicContact CB-CB 4.14Å; F644-E647 HydrophobicContact CB-CG 4.32Å; F644-E647 WeakPolarHBondContact CB-OE2 3.36Å; F644-E647 HydrophobicContact CD1-CG 4.45Å; F644-M648 WeakPolarHBondContact O-CB 3.43Å; F644-M648 VanDerWaalsContact O-CG 3.23Å; F644-M648 WeakPolarHBondContact O-CG 3.27Å; F644-M648 PolarHBondContact O-N 3.24Å; F644-M648 VanDerWaalsContact O-N 3.11Å
645	P	96.4	Very high	95.7	Very high	63 Å²	63	72.3 Å²	72.3	41%	0.409	36%	0.36	S	S	.	.	H	α-helix	trans	-69.1	-24.3	-174.8	28.1	-35.8	0	0	0	113.8	K643 K649	K643-P645 WeakPolarHBondContact O-CD 3.48Å; P645-K649 VanDerWaalsContact O-CG 3.31Å; P645-K649 WeakPolarHBondContact O-CG 3.49Å
646	R	95.9	Very high	95.7	Very high	205 Å²	205	75.8 Å²	75.8	77%	0.774	38%	0.375	S	S	*	.	H	α-helix	trans	-80.8	-44.4	-179	-68.6	-178	179.2	179.7	0.4	110.3	F644 K649 A650	F644-R646 VanDerWaalsContact C-N 3.3Å; F644-R646 PolarHBondContact O-N 2.86Å; R646-K649 PolarHBondContact O-N 3.38Å; R646-A650 WeakPolarHBondContact O-CB 3.45Å; R646-A650 PolarHBondContact O-N 3.28Å
647	E	96	Very high	95.7	Very high	84 Å²	84	79.1 Å²	79.1	39%	0.393	39%	0.393	S	S	.	.	H	α-helix	trans	-63.7	-45.5	179.7	-60	71.6	-163	0	0	110	L611 F644 K649 A650 K651	L611-E647 HydrophobicContact CD1-CB 4.11Å; F644-E647 WeakPolarHBondContact CA-OE2 3.45Å; F644-E647 HydrophobicContact CB-CB 4.14Å; F644-E647 HydrophobicContact CB-CG 4.32Å; F644-E647 WeakPolarHBondContact CB-OE2 3.36Å; F644-E647 HydrophobicContact CD1-CG 4.45Å; E647-K649 VanDerWaalsContact C-N 3.28Å; E647-K649 PolarHBondContact O-N 3.49Å; E647-A650 PolarHBondContact O-N 3.32Å; E647-A650 VanDerWaalsContact O-N 3.07Å; E647-K651 WeakPolarHBondContact O-CG 3.17Å; E647-K651 PolarHBondContact O-N 3.01Å; E647-K651 VanDerWaalsContact O-N 3.17Å
648	M	95.6	Very high	95.7	Very high	13 Å²	13	81 Å²	81	6%	0.064	40%	0.401	C	S	.	.	H	α-helix	trans	-59.2	-37.6	175.1	-73	-64	-71.8	0	0	112.8	L611 I633 Y637 V640 F644 F659	L611-M648 HydrophobicContact CD2-SD 3.77Å; I633-M648 HydrophobicContact CG2-CE 3.89Å; I633-M648 HydrophobicContact CG2-SD 3.99Å; Y637-M648 HydrophobicContact CD2-CE 3.92Å; Y637-M648 HydrophobicContact CE2-CE 3.59Å; V640-M648 HydrophobicContact CG1-CG 4.14Å; V640-M648 HydrophobicContact CG1-SD 3.76Å; F644-M648 WeakPolarHBondContact O-CB 3.43Å; F644-M648 VanDerWaalsContact O-CG 3.23Å; F644-M648 WeakPolarHBondContact O-CG 3.27Å; F644-M648 PolarHBondContact O-N 3.24Å; F644-M648 VanDerWaalsContact O-N 3.11Å; M648-F659 HydrophobicContact CE-CB 4.5Å; M648-F659 HydrophobicContact CE-CD2 3.44Å; M648-F659 VanDerWaalsContact CE-CD2 3.44Å; M648-F659 HydrophobicContact CE-CE2 3.75Å; M648-F659 HydrophobicContact CE-CG 4.06Å; M648-F659 HydrophobicContact SD-CD2 4.39Å; M648-F659 HydrophobicContact SD-CE2 4.1Å
649	K	94.5	Very high	95.8	Very high	163 Å²	163	78.8 Å²	78.8	71%	0.709	39%	0.388	S	S	*	.	H	α-helix	trans	-76.5	-24.8	176	-73.6	177.9	-179.3	-177.4	0	113.3	P645 R646 E647 K651 Q656	P645-K649 VanDerWaalsContact O-CG 3.31Å; P645-K649 WeakPolarHBondContact O-CG 3.49Å; R646-K649 PolarHBondContact O-N 3.38Å; E647-K649 VanDerWaalsContact C-N 3.28Å; E647-K649 PolarHBondContact O-N 3.49Å; K649-K651 VanDerWaalsContact C-N 3.33Å; K649-Q656 PolarHBondContact O-NE2 3.35Å
650	A	95.7	Very high	95.6	Very high	84 Å²	84	80.7 Å²	80.7	69%	0.694	39%	0.392	S	S	*	.	H	α-helix	trans	-79.9	-15.6	178.2	0	0	0	0	0	112.7	R646 E647	R646-A650 WeakPolarHBondContact O-CB 3.45Å; R646-A650 PolarHBondContact O-N 3.28Å; E647-A650 PolarHBondContact O-N 3.32Å; E647-A650 VanDerWaalsContact O-N 3.07Å
651	K	94.8	Very high	95.3	Very high	13 Å²	13	88.6 Å²	88.6	6%	0.057	43%	0.427	C	S	.	.	S	Bend	trans	-60.3	155.5	174.6	-64.8	-52	-174.9	176.2	0	112.1	L611 D615 E647 K649 N655 Q656 F659	L611-K651 PolarHBondContact O-NZ 3.28Å; D615-K651 WeakPolarHBondContact OD1-CD 3.42Å; D615-K651 IonicContact OD1-NZ 3.84Å; D615-K651 PolarHBondContact OD1-NZ 3.18Å; D615-K651 IonicContact OD2-NZ 2.86Å; D615-K651 PolarHBondContact OD2-NZ 3Å; E647-K651 WeakPolarHBondContact O-CG 3.17Å; E647-K651 PolarHBondContact O-N 3.01Å; E647-K651 VanDerWaalsContact O-N 3.17Å; K649-K651 VanDerWaalsContact C-N 3.33Å; K651-N655 HydrophobicContact CB-CB 4.06Å; K651-Q656 HydrophobicContact CB-CG 4.47Å; K651-Q656 PolarHBondContact O-NE2 2.82Å; K651-F659 HydrophobicContact CB-CE2 4.18Å; K651-F659 HydrophobicContact CG-CE2 3.97Å; K651-F659 HydrophobicContact CG-CZ 4.37Å
652	S	95.8	Very high	95.2	Very high	55 Å²	55	90.7 Å²	90.7	39%	0.385	43%	0.433	S	S	.	.			trans	-54.6	153.3	175.5	67.7	0	0	0	0	111.8	E654 N655 Q656	S652-E654 PolarHBondContact O-N 3.37Å; S652-N655 PolarHBondContact O-N 3.17Å; S652-N655 VanDerWaalsContact O-N 3.11Å; S652-N655 WeakPolarHBondContact OG-CB 3.43Å; S652-N655 VanDerWaalsContact OG-CG 3.29Å; S652-N655 PolarHBondContact OG-N 3.43Å; S652-N655 PolarHBondContact OG-ND2 2.98Å; S652-Q656 WeakPolarHBondContact O-CG 3.48Å; S652-Q656 PolarHBondContact O-N 3.01Å
653	T	95.9	Very high	95.1	Very high	108 Å²	108	82.5 Å²	82.5	66%	0.663	40%	0.402	S	S	*	.	H	α-helix	trans	-57.6	-38.2	177.3	50.1	0	0	0	0	111.7	Q656 D657	T653-Q656 PolarHBondContact O-N 3.47Å; T653-D657 PolarHBondContact O-N 3.25Å
654	E	95.9	Very high	95.1	Very high	151 Å²	151	81 Å²	81	71%	0.706	39%	0.394	S	S	*	.	H	α-helix	trans	-60.9	-45.1	175.4	-175.5	175.5	-170	0	0	112.2	S652 D657 Y658	S652-E654 PolarHBondContact O-N 3.37Å; E654-D657 PolarHBondContact O-N 3.17Å; E654-Y658 WeakPolarHBondContact O-CB 3.44Å; E654-Y658 PolarHBondContact O-N 3.26Å
655	N	96.7	Very high	95	Very high	3 Å²	3	79.5 Å²	79.5	2%	0.016	39%	0.39	C	S	.	.	H	α-helix	trans	-65.8	-40.5	176.5	-76.4	-15.8	0	0	0	111.3	Q618 K651 S652 Y658 F659	Q618-N655 PolarHBondContact NE2-OD1 2.86Å; Q618-N655 PolarHBondContact OE1-ND2 3.08Å; K651-N655 HydrophobicContact CB-CB 4.06Å; S652-N655 PolarHBondContact O-N 3.17Å; S652-N655 VanDerWaalsContact O-N 3.11Å; S652-N655 WeakPolarHBondContact OG-CB 3.43Å; S652-N655 VanDerWaalsContact OG-CG 3.29Å; S652-N655 PolarHBondContact OG-N 3.43Å; S652-N655 PolarHBondContact OG-ND2 2.98Å; N655-Y658 WeakPolarHBondContact O-CB 3.38Å; N655-Y658 PolarHBondContact O-N 2.85Å; N655-F659 HydrophobicContact CB-CE2 4.04Å; N655-F659 HydrophobicContact CB-CZ 3.93Å; N655-F659 WeakPolarHBondContact O-CD1 3.3Å; N655-F659 WeakPolarHBondContact O-CD2 3.45Å; N655-F659 WeakPolarHBondContact O-CG 3.33Å; N655-F659 PolarHBondContact O-N 2.93Å
656	Q	95.6	Very high	94.9	Very high	78 Å²	78	77.6 Å²	77.6	36%	0.364	38%	0.377	S	S	.	.	H	α-helix	trans	-61.1	-46.4	176.9	-68.2	-178.9	39.5	0	0	111.9	K649 K651 S652 T653 Y658 F659 E660	K649-Q656 PolarHBondContact O-NE2 3.35Å; K651-Q656 HydrophobicContact CB-CG 4.47Å; K651-Q656 PolarHBondContact O-NE2 2.82Å; S652-Q656 WeakPolarHBondContact O-CG 3.48Å; S652-Q656 PolarHBondContact O-N 3.01Å; T653-Q656 PolarHBondContact O-N 3.47Å; Q656-Y658 VanDerWaalsContact C-N 3.32Å; Q656-Y658 PolarHBondContact O-N 3.25Å; Q656-F659 PolarHBondContact O-N 3.17Å; Q656-E660 PolarHBondContact O-N 3.01Å
657	D	94.9	Very high	94.7	Very high	120 Å²	120	70.1 Å²	70.1	64%	0.642	35%	0.354	S	S	*	.	H	α-helix	trans	-63.3	-40.1	175.9	-72.2	-19.5	0	0	0	111.2	T653 E654 E660 K661	T653-D657 PolarHBondContact O-N 3.25Å; E654-D657 PolarHBondContact O-N 3.17Å; D657-E660 PolarHBondContact O-N 3.42Å; D657-K661 VanDerWaalsContact O-CB 3.3Å; D657-K661 WeakPolarHBondContact O-CB 3.23Å; D657-K661 PolarHBondContact O-N 3.38Å
658	Y	95.4	Very high	94.5	Very high	82 Å²	82	68.6 Å²	68.6	32%	0.322	35%	0.345	S	S	.	.	H	α-helix	trans	-60.6	-46.9	175.3	-172.1	-81	0	0	0	111.4	L630 E654 N655 Q656 K661 H662	L630-Y658 HydrophobicContact CB-CD1 4.32Å; L630-Y658 HydrophobicContact CB-CE1 3.77Å; L630-Y658 HydrophobicContact CD1-CD1 4.36Å; L630-Y658 HydrophobicContact CD1-CE1 4.12Å; L630-Y658 HydrophobicContact CD1-CE2 4.33Å; L630-Y658 HydrophobicContact CD2-CD1 3.99Å; L630-Y658 HydrophobicContact CD2-CE1 4.29Å; L630-Y658 HydrophobicContact CG-CD1 4.46Å; L630-Y658 HydrophobicContact CG-CE1 4.29Å; E654-Y658 WeakPolarHBondContact O-CB 3.44Å; E654-Y658 PolarHBondContact O-N 3.26Å; N655-Y658 WeakPolarHBondContact O-CB 3.38Å; N655-Y658 PolarHBondContact O-N 2.85Å; Q656-Y658 VanDerWaalsContact C-N 3.32Å; Q656-Y658 PolarHBondContact O-N 3.25Å; Y658-K661 PolarHBondContact O-N 3.07Å; Y658-H662 HydrophobicContact CD1-CB 4.4Å; Y658-H662 AromaticContact CD1-ND1 3.66Å; Y658-H662 AromaticContact CD2-CE1 3.61Å; Y658-H662 AromaticContact CD2-ND1 3.57Å; Y658-H662 HydrophobicContact CE1-CB 4.02Å; Y658-H662 AromaticContact CE1-CG 3.92Å; Y658-H662 AromaticContact CE1-ND1 3.63Å; Y658-H662 AromaticContact CE2-CE1 3.48Å; Y658-H662 VanDerWaalsContact CE2-CE1 3.48Å; Y658-H662 WeakPolarHBondContact CE2-CE1 3.44Å; Y658-H662 AromaticContact CE2-ND1 3.57Å; Y658-H662 AromaticContact CG-ND1 3.62Å; Y658-H662 AromaticContact CZ-CE1 3.88Å; Y658-H662 AromaticContact CZ-CG 3.94Å; Y658-H662 AromaticContact CZ-ND1 3.59Å; Y658-H662 WeakPolarHBondContact O-CB 3.3Å; Y658-H662 PolarHBondContact O-N 2.93Å; Y658-H662 PolarHBondContact O-ND1 3.45Å
659	F	95.9	Very high	94.5	Very high	3 Å²	3	69.8 Å²	69.8	1%	0.013	35%	0.349	C	S	.	.	H	α-helix	trans	-62.8	-45.4	179.9	-55.7	-35.5	0	0	0	111.7	L614 L630 I633 Y637 M648 K651 N655 Q656 K661 H662 R663	L614-F659 HydrophobicContact CD2-CE1 4.23Å; L614-F659 HydrophobicContact CD2-CZ 3.8Å; L630-F659 HydrophobicContact CD2-CD1 4.44Å; L630-F659 HydrophobicContact CD2-CE1 3.67Å; L630-F659 HydrophobicContact CD2-CZ 4.42Å; I633-F659 HydrophobicContact CB-CE1 4.16Å; I633-F659 HydrophobicContact CD1-CE1 4.25Å; I633-F659 HydrophobicContact CD1-CZ 4.24Å; I633-F659 HydrophobicContact CG2-CD1 3.88Å; I633-F659 HydrophobicContact CG2-CE1 3.66Å; I633-F659 HydrophobicContact CG2-CE2 4.44Å; I633-F659 HydrophobicContact CG2-CG 4.36Å; I633-F659 HydrophobicContact CG2-CZ 3.97Å; Y637-F659 HydrophobicContact CD2-CB 3.96Å; Y637-F659 HydrophobicContact CE2-CB 3.57Å; Y637-F659 HydrophobicContact CE2-CG 4.41Å; M648-F659 HydrophobicContact CE-CB 4.5Å; M648-F659 HydrophobicContact CE-CD2 3.44Å; M648-F659 VanDerWaalsContact CE-CD2 3.44Å; M648-F659 HydrophobicContact CE-CE2 3.75Å; M648-F659 HydrophobicContact CE-CG 4.06Å; M648-F659 HydrophobicContact SD-CD2 4.39Å; M648-F659 HydrophobicContact SD-CE2 4.1Å; K651-F659 HydrophobicContact CB-CE2 4.18Å; K651-F659 HydrophobicContact CG-CE2 3.97Å; K651-F659 HydrophobicContact CG-CZ 4.37Å; N655-F659 HydrophobicContact CB-CE2 4.04Å; N655-F659 HydrophobicContact CB-CZ 3.93Å; N655-F659 WeakPolarHBondContact O-CD1 3.3Å; N655-F659 WeakPolarHBondContact O-CD2 3.45Å; N655-F659 WeakPolarHBondContact O-CG 3.33Å; N655-F659 PolarHBondContact O-N 2.93Å; Q656-F659 PolarHBondContact O-N 3.17Å; F659-K661 VanDerWaalsContact C-N 3.26Å; F659-K661 PolarHBondContact O-N 2.85Å; F659-H662 PolarHBondContact O-N 2.88Å; F659-R663 WeakPolarHBondContact O-CA 3.41Å; F659-R663 WeakPolarHBondContact O-CB 3.42Å; F659-R663 WeakPolarHBondContact O-CG 3.48Å; F659-R663 PolarHBondContact O-N 3.18Å
660	E	91.4	Very high	94.5	Very high	86 Å²	86	64.8 Å²	64.8	40%	0.402	33%	0.33	S	S	.	.	H	α-helix	trans	-65.7	-32.7	-179.5	-175.8	60.8	-175.1	0	0	112.1	Q656 D657 R663 V667	Q656-E660 PolarHBondContact O-N 3.01Å; D657-E660 PolarHBondContact O-N 3.42Å; E660-R663 WeakPolarHBondContact O-CD 3.38Å; E660-R663 WeakPolarHBondContact O-CG 3.48Å; E660-R663 IonicContact OE1-NH1 2.68Å; E660-R663 PolarHBondContact OE1-NH1 2.67Å; E660-R663 WeakPolarHBondContact OE2-CD 3.44Å; E660-R663 IonicContact OE2-CZ 3.84Å; E660-R663 IonicContact OE2-NE 3.84Å; E660-R663 IonicContact OE2-NH1 2.64Å; E660-R663 PolarHBondContact OE2-NH1 2.74Å; E660-V667 VanDerWaalsContact OE1-CG2 3.27Å; E660-V667 WeakPolarHBondContact OE1-CG2 3.45Å
661	K	90.3	Very high	94.4	Very high	166 Å²	166	65.8 Å²	65.8	72%	0.722	32%	0.318	S	S	*	.	H	α-helix	trans	-75.5	-38.1	177.5	-176	175.3	173.2	-173.4	0	113.4	D657 Y658 F659	D657-K661 VanDerWaalsContact O-CB 3.3Å; D657-K661 WeakPolarHBondContact O-CB 3.23Å; D657-K661 PolarHBondContact O-N 3.38Å; Y658-K661 PolarHBondContact O-N 3.07Å; F659-K661 VanDerWaalsContact C-N 3.26Å; F659-K661 PolarHBondContact O-N 2.85Å
662	H	92.7	Very high	94.4	Very high	77 Å²	77	66.2 Å²	66.2	36%	0.356	32%	0.32	S	S	.	.	H	α-helix	trans	-107.9	1	-171.5	-57	94.4	0	0	0	114.4	C634 Y658 F659	C634-H662 HydrophobicContact CB-CB 4.28Å; Y658-H662 HydrophobicContact CD1-CB 4.4Å; Y658-H662 AromaticContact CD1-ND1 3.66Å; Y658-H662 AromaticContact CD2-CE1 3.61Å; Y658-H662 AromaticContact CD2-ND1 3.57Å; Y658-H662 HydrophobicContact CE1-CB 4.02Å; Y658-H662 AromaticContact CE1-CG 3.92Å; Y658-H662 AromaticContact CE1-ND1 3.63Å; Y658-H662 AromaticContact CE2-CE1 3.48Å; Y658-H662 VanDerWaalsContact CE2-CE1 3.48Å; Y658-H662 WeakPolarHBondContact CE2-CE1 3.44Å; Y658-H662 AromaticContact CE2-ND1 3.57Å; Y658-H662 AromaticContact CG-ND1 3.62Å; Y658-H662 AromaticContact CZ-CE1 3.88Å; Y658-H662 AromaticContact CZ-CG 3.94Å; Y658-H662 AromaticContact CZ-ND1 3.59Å; Y658-H662 WeakPolarHBondContact O-CB 3.3Å; Y658-H662 PolarHBondContact O-N 2.93Å; Y658-H662 PolarHBondContact O-ND1 3.45Å; F659-H662 PolarHBondContact O-N 2.88Å
663	R	95.1	Very high	94.4	Very high	36 Å²	36	65.9 Å²	65.9	14%	0.136	32%	0.315	C	S	.	.			trans	-54	142.4	177.2	55.4	-174.1	-95.2	-175.2	-5.8	113.1	C634 Y637 F659 E660	C634-R663 CarbonylContact O-C 3.58Å; C634-R663 WeakPolarHBondContact O-CA 3.39Å; Y637-R663 HydrophobicContact CD1-CB 4.05Å; Y637-R663 HydrophobicContact CD2-CB 4.2Å; Y637-R663 HydrophobicContact CG-CB 3.79Å; F659-R663 WeakPolarHBondContact O-CA 3.41Å; F659-R663 WeakPolarHBondContact O-CB 3.42Å; F659-R663 WeakPolarHBondContact O-CG 3.48Å; F659-R663 PolarHBondContact O-N 3.18Å; E660-R663 WeakPolarHBondContact O-CD 3.38Å; E660-R663 WeakPolarHBondContact O-CG 3.48Å; E660-R663 IonicContact OE1-NH1 2.68Å; E660-R663 PolarHBondContact OE1-NH1 2.67Å; E660-R663 WeakPolarHBondContact OE2-CD 3.44Å; E660-R663 IonicContact OE2-CZ 3.84Å; E660-R663 IonicContact OE2-NE 3.84Å; E660-R663 IonicContact OE2-NH1 2.64Å; E660-R663 PolarHBondContact OE2-NH1 2.74Å
664	W	95.1	Very high	94.4	Very high	60 Å²	60	64.7 Å²	64.7	23%	0.227	30%	0.304	C	S	.	.	S	Bend	trans	-122.7	134.6	169.4	-174.4	93.8	0	0	0	110.3	L258 P259 K261 C634	L258-W664 HydrophobicContact CD1-CZ2 4.11Å; L258-W664 HydrophobicContact CD2-CZ2 3.99Å; L258-W664 HydrophobicContact CG-CZ2 4.2Å; P259-W664 PolarHBondContact O-NE1 3.14Å; K261-W664 HydrophobicContact CB-CD2 4.4Å; K261-W664 HydrophobicContact CB-CZ2 4.16Å; K261-W664 HydrophobicContact CD-CE3 4.4Å; K261-W664 HydrophobicContact CD-CZ3 4.36Å; K261-W664 HydrophobicContact CG-CD2 4.11Å; K261-W664 HydrophobicContact CG-CE3 4.28Å; K261-W664 HydrophobicContact CG-CG 4.5Å; C634-W664 PolarHBondContact O-N 2.8Å
665	P	96.1	Very high	94.3	Very high	20 Å²	20	60.8 Å²	60.8	13%	0.13	29%	0.286	C	S	.	.	S	Bend	cis	-65.6	150	-7.8	-22.9	35.4	0	0	0	113.5	L258 Y669 L670	L258-P665 HydrophobicContact CD1-CB 3.85Å; L258-P665 HydrophobicContact CD1-CG 4.04Å; P665-Y669 HydrophobicContact CB-CD1 3.58Å; P665-Y669 HydrophobicContact CB-CE1 4.12Å; P665-Y669 HydrophobicContact CB-CG 4.45Å; P665-Y669 HydrophobicContact CG-CD1 4.43Å; P665-L670 HydrophobicContact CB-CD2 4.17Å; P665-L670 HydrophobicContact CG-CD2 4.5Å
666	P	94	Very high	94.3	Very high	23 Å²	23	62.9 Å²	62.9	15%	0.149	29%	0.294	C	S	.	.			trans	-62.6	152.8	178.5	-25.9	36.5	0	0	0	113.6	P259 W668 Y669 L670	P259-P666 HydrophobicContact CG-CG 3.8Å; P666-W668 VanDerWaalsContact C-N 3.3Å; P666-W668 HydrophobicContact CB-CD2 4.43Å; P666-W668 HydrophobicContact CB-CG 4.29Å; P666-W668 HydrophobicContact CB-CZ2 4.44Å; P666-W668 VanDerWaalsContact CB-NE1 3.3Å; P666-W668 HydrophobicContact CG-CZ2 4.33Å; P666-W668 PolarHBondContact O-N 3.25Å; P666-Y669 WeakPolarHBondContact O-CB 3.46Å; P666-Y669 PolarHBondContact O-N 2.97Å; P666-L670 PolarHBondContact O-N 3.28Å
667	V	92.1	Very high	94.3	Very high	48 Å²	48	61.9 Å²	61.9	29%	0.291	29%	0.289	S	S	.	.	H	α-helix	trans	-54.2	-45.5	179.8	179.6	0	0	0	0	112.2	E660 Y669 L670 K671	E660-V667 VanDerWaalsContact OE1-CG2 3.27Å; E660-V667 WeakPolarHBondContact OE1-CG2 3.45Å; V667-Y669 VanDerWaalsContact C-N 3.26Å; V667-Y669 PolarHBondContact O-N 2.84Å; V667-L670 PolarHBondContact O-N 2.89Å; V667-K671 PolarHBondContact O-N 2.9Å; V667-K671 VanDerWaalsContact O-N 3.12Å
668	W	91.8	Very high	94.3	Very high	52 Å²	52	62.6 Å²	62.6	20%	0.197	28%	0.283	C	S	.	.	H	α-helix	trans	-60.3	-38.8	-179.3	63	-100.9	0	0	0	111.2	R169 P195 F257 P259 P666 K671 E672	R169-W668 HydrophobicContact CB-CZ2 4.28Å; P195-W668 HydrophobicContact CG-CE3 4.41Å; F257-W668 WeakPolarHBondContact O-CH2 3.31Å; P259-W668 HydrophobicContact CG-CH2 4.23Å; P259-W668 HydrophobicContact CG-CZ2 3.91Å; P666-W668 VanDerWaalsContact C-N 3.3Å; P666-W668 HydrophobicContact CB-CD2 4.43Å; P666-W668 HydrophobicContact CB-CG 4.29Å; P666-W668 HydrophobicContact CB-CZ2 4.44Å; P666-W668 VanDerWaalsContact CB-NE1 3.3Å; P666-W668 HydrophobicContact CG-CZ2 4.33Å; P666-W668 PolarHBondContact O-N 3.25Å; W668-K671 PolarHBondContact O-N 3.22Å; W668-E672 HydrophobicContact CE3-CG 4.43Å; W668-E672 VanDerWaalsContact O-CG 3.29Å; W668-E672 WeakPolarHBondContact O-CG 3.01Å; W668-E672 PolarHBondContact O-N 3.43Å
669	Y	94.8	Very high	94.2	Very high	37 Å²	37	59.6 Å²	59.6	15%	0.145	28%	0.275	C	S	.	.	H	α-helix	trans	-65.2	-43.2	178	168.2	-94.5	0	0	0	111.3	P256 F257 L258 P665 P666 V667 K671 E672 D673	P256-Y669 HydrophobicContact CB-CD2 4.23Å; P256-Y669 HydrophobicContact CB-CE2 4.11Å; P256-Y669 HydrophobicContact CG-CD2 4.44Å; P256-Y669 HydrophobicContact CG-CE2 3.9Å; F257-Y669 WeakPolarHBondContact O-CD2 3.14Å; L258-Y669 HydrophobicContact CB-CD2 4.16Å; L258-Y669 HydrophobicContact CB-CE2 3.57Å; L258-Y669 HydrophobicContact CD1-CD1 3.73Å; L258-Y669 HydrophobicContact CD1-CD2 4.12Å; L258-Y669 HydrophobicContact CD1-CE1 3.53Å; L258-Y669 HydrophobicContact CD1-CE2 3.94Å; L258-Y669 HydrophobicContact CD1-CG 4.02Å; L258-Y669 HydrophobicContact CG-CE2 4.33Å; P665-Y669 HydrophobicContact CB-CD1 3.58Å; P665-Y669 HydrophobicContact CB-CE1 4.12Å; P665-Y669 HydrophobicContact CB-CG 4.45Å; P665-Y669 HydrophobicContact CG-CD1 4.43Å; P666-Y669 WeakPolarHBondContact O-CB 3.46Å; P666-Y669 PolarHBondContact O-N 2.97Å; V667-Y669 VanDerWaalsContact C-N 3.26Å; V667-Y669 PolarHBondContact O-N 2.84Å; Y669-K671 VanDerWaalsContact C-N 3.29Å; Y669-K671 PolarHBondContact O-N 2.78Å; Y669-E672 WeakPolarHBondContact O-CB 3.48Å; Y669-E672 PolarHBondContact O-N 3.48Å; Y669-E672 VanDerWaalsContact O-N 3.11Å; Y669-D673 HydrophobicContact CE1-CB 4.35Å; Y669-D673 PolarHBondContact O-N 2.77Å
670	L	94.2	Very high	94.2	Very high	58 Å²	58	63.9 Å²	63.9	30%	0.304	29%	0.291	S	S	.	.	H	α-helix	trans	-62.3	-38.2	178.9	-62.2	178.4	0	0	0	112.1	P665 P666 V667 E672 D674	P665-L670 HydrophobicContact CB-CD2 4.17Å; P665-L670 HydrophobicContact CG-CD2 4.5Å; P666-L670 PolarHBondContact O-N 3.28Å; V667-L670 PolarHBondContact O-N 2.89Å; L670-E672 VanDerWaalsContact C-N 3.35Å; L670-D674 WeakPolarHBondContact O-CB 3.36Å; L670-D674 PolarHBondContact O-N 3.09Å
671	K	94.1	Very high	94.3	Very high	105 Å²	105	66.1 Å²	66.1	46%	0.457	30%	0.299	S	S	.	.	H	α-helix	trans	-65.1	-40.1	173.8	-67	-174.8	-179.8	-176.5	0	111.7	E196 V667 W668 Y669 H675	E196-K671 VanDerWaalsContact OE1-CD 3.24Å; E196-K671 WeakPolarHBondContact OE1-CD 3.44Å; E196-K671 IonicContact OE1-NZ 2.75Å; V667-K671 PolarHBondContact O-N 2.9Å; V667-K671 VanDerWaalsContact O-N 3.12Å; W668-K671 PolarHBondContact O-N 3.22Å; Y669-K671 VanDerWaalsContact C-N 3.29Å; Y669-K671 PolarHBondContact O-N 2.78Å; K671-H675 WeakPolarHBondContact O-CB 3.15Å; K671-H675 PolarHBondContact O-N 3.29Å
672	E	94	Very high	94.4	Very high	22 Å²	22	64.6 Å²	64.6	10%	0.103	30%	0.295	C	S	.	.	H	α-helix	trans	-66.7	-43.1	176.9	-71.3	-53.9	103.8	0	0	113.4	P195 R199 P256 W668 Y669 L670 H675 Y676	P195-E672 HydrophobicContact CB-CG 3.92Å; P195-E672 WeakPolarHBondContact CB-OE1 3.43Å; P195-E672 VanDerWaalsContact CB-OE2 3.26Å; P195-E672 WeakPolarHBondContact CB-OE2 3.3Å; P195-E672 HydrophobicContact CG-CG 3.63Å; R199-E672 IonicContact CZ-OE1 3.53Å; R199-E672 IonicContact CZ-OE2 2.67Å; R199-E672 IonicContact NH1-OE1 2.93Å; R199-E672 PolarHBondContact NH1-OE1 3.41Å; R199-E672 IonicContact NH1-OE2 2.74Å; R199-E672 PolarHBondContact NH1-OE2 3.14Å; R199-E672 IonicContact NH2-OE1 3.55Å; R199-E672 PolarHBondContact NH2-OE1 3.48Å; R199-E672 IonicContact NH2-OE2 3.35Å; P256-E672 HydrophobicContact CB-CB 3.66Å; P256-E672 HydrophobicContact CG-CB 4.37Å; W668-E672 HydrophobicContact CE3-CG 4.43Å; W668-E672 VanDerWaalsContact O-CG 3.29Å; W668-E672 WeakPolarHBondContact O-CG 3.01Å; W668-E672 PolarHBondContact O-N 3.43Å; Y669-E672 WeakPolarHBondContact O-CB 3.48Å; Y669-E672 PolarHBondContact O-N 3.48Å; Y669-E672 VanDerWaalsContact O-N 3.11Å; L670-E672 VanDerWaalsContact C-N 3.35Å; E672-H675 PolarHBondContact O-N 3.41Å; E672-Y676 WeakPolarHBondContact O-CB 3.42Å; E672-Y676 PolarHBondContact O-N 3.2Å
673	D	95.9	Very high	94.3	Very high	49 Å²	49	64.5 Å²	64.5	26%	0.262	29%	0.291	S	S	.	.	H	α-helix	trans	-64	-47.1	177	-175.6	60.1	0	0	0	110.8	P256 Y669 H675 Y676 Q677	P256-D673 HydrophobicContact CG-CB 4.07Å; Y669-D673 HydrophobicContact CE1-CB 4.35Å; Y669-D673 PolarHBondContact O-N 2.77Å; D673-H675 VanDerWaalsContact C-N 3.3Å; D673-H675 PolarHBondContact O-N 3.48Å; D673-Y676 PolarHBondContact O-N 3.18Å; D673-Y676 VanDerWaalsContact O-N 3.1Å; D673-Q677 VanDerWaalsContact O-CG 3.29Å; D673-Q677 WeakPolarHBondContact O-CG 3.33Å; D673-Q677 PolarHBondContact O-N 3.01Å; D673-Q677 PolarHBondContact OD1-NE2 3.28Å; D673-Q677 VanDerWaalsContact OD1-NE2 3.15Å
674	D	95.8	Very high	94	Very high	83 Å²	83	67.6 Å²	67.6	44%	0.444	31%	0.307	S	S	.	.	H	α-helix	trans	-56.2	-45.4	174.7	176.6	70	0	0	0	112.1	L670 Q677 R678	L670-D674 WeakPolarHBondContact O-CB 3.36Å; L670-D674 PolarHBondContact O-N 3.09Å; D674-Q677 PolarHBondContact O-N 2.92Å; D674-R678 WeakPolarHBondContact O-CG 3.38Å; D674-R678 PolarHBondContact O-N 3.46Å; D674-R678 IonicContact OD1-NE 2.75Å; D674-R678 IonicContact OD2-CZ 3.82Å; D674-R678 IonicContact OD2-NE 3.7Å; D674-R678 PolarHBondContact OD2-NE 3.2Å; D674-R678 IonicContact OD2-NH2 3.8Å; D674-R678 PolarHBondContact OD2-NH2 3.34Å
675	H	94.7	Very high	93.8	Very high	69 Å²	69	71.7 Å²	71.7	32%	0.319	33%	0.327	S	S	.	.	H	α-helix	trans	-60.8	-46.3	175.1	174.3	-84.6	0	0	0	112.1	R199 K671 E672 D673 R678 A679	R199-H675 VanDerWaalsContact CD-CE1 3.44Å; R199-H675 WeakPolarHBondContact CD-CE1 3.38Å; K671-H675 WeakPolarHBondContact O-CB 3.15Å; K671-H675 PolarHBondContact O-N 3.29Å; E672-H675 PolarHBondContact O-N 3.41Å; D673-H675 VanDerWaalsContact C-N 3.3Å; D673-H675 PolarHBondContact O-N 3.48Å; H675-R678 PolarHBondContact O-N 3.38Å; H675-A679 WeakPolarHBondContact O-CB 3.5Å; H675-A679 PolarHBondContact O-N 3.45Å
676	Y	95.6	Very high	93.3	Very high	47 Å²	47	76.2 Å²	76.2	18%	0.184	35%	0.346	C	S	.	.	H	α-helix	trans	-60.9	-46.5	178.6	171.7	-100.6	0	0	0	111.7	L253 Q254 A255 E672 D673 R678 A679 R680	L253-Y676 HydrophobicContact CB-CD2 4.24Å; L253-Y676 HydrophobicContact CB-CE2 3.85Å; Q254-Y676 WeakPolarHBondContact O-CD2 3.5Å; A255-Y676 HydrophobicContact CB-CE1 4.32Å; A255-Y676 HydrophobicContact CB-CE2 4.2Å; E672-Y676 WeakPolarHBondContact O-CB 3.42Å; E672-Y676 PolarHBondContact O-N 3.2Å; D673-Y676 PolarHBondContact O-N 3.18Å; D673-Y676 VanDerWaalsContact O-N 3.1Å; Y676-R678 VanDerWaalsContact C-N 3.32Å; Y676-R678 PolarHBondContact O-N 3.15Å; Y676-A679 PolarHBondContact O-N 2.79Å; Y676-R680 WeakPolarHBondContact O-CB 3.22Å; Y676-R680 PolarHBondContact O-N 3.06Å
677	Q	96.8	Very high	92.8	Very high	56 Å²	56	78.9 Å²	78.9	26%	0.262	36%	0.359	S	S	.	.	H	α-helix	trans	-61.4	-40.9	177.8	-62.6	-55.4	-27.1	0	0	111.5	D673 D674 R680 K681	D673-Q677 VanDerWaalsContact O-CG 3.29Å; D673-Q677 WeakPolarHBondContact O-CG 3.33Å; D673-Q677 PolarHBondContact O-N 3.01Å; D673-Q677 PolarHBondContact OD1-NE2 3.28Å; D673-Q677 VanDerWaalsContact OD1-NE2 3.15Å; D674-Q677 PolarHBondContact O-N 2.92Å; Q677-R680 VanDerWaalsContact OE1-NH1 3.17Å; Q677-K681 WeakPolarHBondContact O-CG 3.24Å; Q677-K681 PolarHBondContact O-N 3.29Å; Q677-K681 VanDerWaalsContact O-N 3.15Å
678	R	95.4	Very high	92.5	Very high	135 Å²	135	83.5 Å²	83.5	51%	0.509	37%	0.372	S	S	.	.	H	α-helix	trans	-63.4	-51	175	-75.3	-171	-78.3	135.9	-7.7	111.7	D674 H675 Y676 R680 K681 E682	D674-R678 WeakPolarHBondContact O-CG 3.38Å; D674-R678 PolarHBondContact O-N 3.46Å; D674-R678 IonicContact OD1-NE 2.75Å; D674-R678 IonicContact OD2-CZ 3.82Å; D674-R678 IonicContact OD2-NE 3.7Å; D674-R678 PolarHBondContact OD2-NE 3.2Å; D674-R678 IonicContact OD2-NH2 3.8Å; D674-R678 PolarHBondContact OD2-NH2 3.34Å; H675-R678 PolarHBondContact O-N 3.38Å; Y676-R678 VanDerWaalsContact C-N 3.32Å; Y676-R678 PolarHBondContact O-N 3.15Å; R678-R680 VanDerWaalsContact C-N 3.29Å; R678-R680 PolarHBondContact O-N 3.37Å; R678-K681 PolarHBondContact O-N 2.86Å; R678-E682 WeakPolarHBondContact O-CG 3.39Å; R678-E682 PolarHBondContact O-N 3.43Å
679	A	93	Very high	92.1	Very high	19 Å²	19	84.5 Å²	84.5	16%	0.157	38%	0.381	C	S	.	.	H	α-helix	trans	-61.6	-36.3	179.4	0	0	0	0	0	112.6	L253 H675 Y676 E682 R683	L253-A679 HydrophobicContact CD1-CB 3.84Å; L253-A679 HydrophobicContact CD2-CB 4.42Å; H675-A679 WeakPolarHBondContact O-CB 3.5Å; H675-A679 PolarHBondContact O-N 3.45Å; Y676-A679 PolarHBondContact O-N 2.79Å; A679-E682 PolarHBondContact O-N 2.97Å; A679-R683 WeakPolarHBondContact O-CB 3.44Å; A679-R683 PolarHBondContact O-N 3.44Å
680	R	94.5	Very high	91.2	Very high	94 Å²	94	89.1 Å²	89.1	36%	0.355	40%	0.399	S	S	.	.	H	α-helix	trans	-64.4	-48	176.5	-161.2	-174.3	81.9	-151.4	-3.8	111.5	L253 Y676 Q677 R678 E682 R683 E684	L253-R680 HydrophobicContact CD1-CB 4.33Å; Y676-R680 WeakPolarHBondContact O-CB 3.22Å; Y676-R680 PolarHBondContact O-N 3.06Å; Q677-R680 VanDerWaalsContact OE1-NH1 3.17Å; R678-R680 VanDerWaalsContact C-N 3.29Å; R678-R680 PolarHBondContact O-N 3.37Å; R680-E682 VanDerWaalsContact C-N 3.32Å; R680-E682 PolarHBondContact O-N 3Å; R680-R683 PolarHBondContact O-N 3.4Å; R680-E684 WeakPolarHBondContact CG-OE1 3.49Å; R680-E684 IonicContact CZ-OE1 3.39Å; R680-E684 IonicContact NE-OE1 2.74Å; R680-E684 PolarHBondContact NE-OE1 2.85Å; R680-E684 WeakPolarHBondContact O-CG 3.33Å; R680-E684 PolarHBondContact O-N 2.95Å
681	K	94.6	Very high	90.3	Very high	133 Å²	133	92.1 Å²	92.1	58%	0.578	41%	0.412	S	S	*	.	H	α-helix	trans	-60.7	-40	176.2	-72.4	175.2	-177.6	177.8	0	112.4	Q677 R678 K685	Q677-K681 WeakPolarHBondContact O-CG 3.24Å; Q677-K681 PolarHBondContact O-N 3.29Å; Q677-K681 VanDerWaalsContact O-N 3.15Å; R678-K681 PolarHBondContact O-N 2.86Å; K681-K685 WeakPolarHBondContact O-CB 3.34Å; K681-K685 PolarHBondContact O-N 2.82Å; K681-K685 VanDerWaalsContact O-N 3.07Å
682	E	92.5	Very high	89.5	Confident	133 Å²	133	93.6 Å²	93.6	62%	0.621	41%	0.414	S	S	*	.	H	α-helix	trans	-62.6	-45.5	175.6	-74	179.2	170.8	0	0	111.6	R678 A679 R680 K685 E686	R678-E682 WeakPolarHBondContact O-CG 3.39Å; R678-E682 PolarHBondContact O-N 3.43Å; A679-E682 PolarHBondContact O-N 2.97Å; R680-E682 VanDerWaalsContact C-N 3.32Å; R680-E682 PolarHBondContact O-N 3Å; E682-K685 WeakPolarHBondContact O-CB 3.49Å; E682-K685 PolarHBondContact O-N 2.86Å; E682-E686 PolarHBondContact O-N 2.61Å
683	R	89.5	Confident	88.4	Confident	76 Å²	76	101.2 Å²	101.2	29%	0.287	44%	0.442	S	S	.	.	H	α-helix	trans	-63.1	-45.8	177	-174.7	177.9	-71.7	-144.9	0.8	112.4	P251 A679 R680 K685 E686 D687	P251-R683 PolarHBondContact O-NH1 3.07Å; P251-R683 PolarHBondContact O-NH2 2.97Å; A679-R683 WeakPolarHBondContact O-CB 3.44Å; A679-R683 PolarHBondContact O-N 3.44Å; R680-R683 PolarHBondContact O-N 3.4Å; R683-K685 PolarHBondContact O-N 3.03Å; R683-E686 PolarHBondContact O-N 3.22Å; R683-E686 VanDerWaalsContact O-N 3.12Å; R683-D687 PolarHBondContact O-N 2.74Å
684	E	89.6	Confident	86.8	Confident	101 Å²	101	103 Å²	103	47%	0.472	45%	0.449	S	S	.	.	H	α-helix	trans	-56.4	-40.3	175.6	-73	166.3	-167	0	0	111.3	R680 Y688	R680-E684 WeakPolarHBondContact CG-OE1 3.49Å; R680-E684 IonicContact CZ-OE1 3.39Å; R680-E684 IonicContact NE-OE1 2.74Å; R680-E684 PolarHBondContact NE-OE1 2.85Å; R680-E684 WeakPolarHBondContact O-CG 3.33Å; R680-E684 PolarHBondContact O-N 2.95Å; E684-Y688 WeakPolarHBondContact O-CB 3.47Å; E684-Y688 PolarHBondContact O-N 3.17Å
685	K	90.6	Very high	84.8	Confident	145 Å²	145	103.1 Å²	103.1	63%	0.63	46%	0.455	S	S	*	.	H	α-helix	trans	-67.3	-41.9	175.9	-173.5	-178.7	180	-178.2	0	112.4	K681 E682 R683 L689	K681-K685 WeakPolarHBondContact O-CB 3.34Å; K681-K685 PolarHBondContact O-N 2.82Å; K681-K685 VanDerWaalsContact O-N 3.07Å; E682-K685 WeakPolarHBondContact O-CB 3.49Å; E682-K685 PolarHBondContact O-N 2.86Å; R683-K685 PolarHBondContact O-N 3.03Å; K685-L689 VanDerWaalsContact O-CG 3.3Å; K685-L689 WeakPolarHBondContact O-CG 3.39Å; K685-L689 PolarHBondContact O-N 3.19Å
686	E	86.4	Confident	82.9	Confident	116 Å²	116	105.8 Å²	105.8	54%	0.542	47%	0.466	S	S	.	.	H	α-helix	trans	-62.2	-45.2	175.2	-74.2	-174.2	178.4	0	0	112	E682 R683 L689 Y690	E682-E686 PolarHBondContact O-N 2.61Å; R683-E686 PolarHBondContact O-N 3.22Å; R683-E686 VanDerWaalsContact O-N 3.12Å; E686-L689 PolarHBondContact O-N 2.88Å; E686-Y690 WeakPolarHBondContact O-CB 3.07Å; E686-Y690 PolarHBondContact O-N 3.21Å
687	D	83.6	Confident	80.9	Confident	79 Å²	79	112.5 Å²	112.5	42%	0.422	49%	0.491	S	S	.	.	H	α-helix	trans	-64.3	-42.6	179.4	-73	-25.4	0	0	0	111.1	R683 L689 Y690 Q691	R683-D687 PolarHBondContact O-N 2.74Å; D687-L689 PolarHBondContact O-N 3.25Å; D687-Y690 PolarHBondContact O-N 2.93Å; D687-Q691 WeakPolarHBondContact O-CG 3.37Å; D687-Q691 PolarHBondContact O-N 3.18Å
688	Y	84.3	Confident	78.5	Confident	145 Å²	145	116.7 Å²	116.7	57%	0.569	51%	0.508	S	S	*	.	H	α-helix	trans	-58.1	-46.1	172.6	177	-97	0	0	0	112.2	E684 Y690 Q691 R692	E684-Y688 WeakPolarHBondContact O-CB 3.47Å; E684-Y688 PolarHBondContact O-N 3.17Å; Y688-Y690 VanDerWaalsContact C-N 3.34Å; Y688-Y690 PolarHBondContact O-N 3.17Å; Y688-Q691 PolarHBondContact O-N 3.02Å; Y688-R692 WeakPolarHBondContact O-CB 3.32Å; Y688-R692 PolarHBondContact O-N 3.44Å
689	L	83.9	Confident	76.3	Confident	72 Å²	72	119.3 Å²	119.3	38%	0.377	52%	0.519	S	S	.	.	H	α-helix	trans	-64.5	-38.7	177	-72.3	174.3	0	0	0	112.1	K685 E686 D687 R692 R693	K685-L689 VanDerWaalsContact O-CG 3.3Å; K685-L689 WeakPolarHBondContact O-CG 3.39Å; K685-L689 PolarHBondContact O-N 3.19Å; E686-L689 PolarHBondContact O-N 2.88Å; D687-L689 PolarHBondContact O-N 3.25Å; L689-R692 PolarHBondContact O-N 3.18Å; L689-R693 WeakPolarHBondContact O-CG 3.25Å; L689-R693 PolarHBondContact O-N 3.41Å
690	Y	76	Confident	74.3	Confident	134 Å²	134	124.3 Å²	124.3	53%	0.525	54%	0.542	S	S	.	.	H	α-helix	trans	-64.6	-47	177.2	-179.2	-101.2	0	0	0	111.8	E686 D687 Y688 R692 R693 Q694	E686-Y690 WeakPolarHBondContact O-CB 3.07Å; E686-Y690 PolarHBondContact O-N 3.21Å; D687-Y690 PolarHBondContact O-N 2.93Å; Y688-Y690 VanDerWaalsContact C-N 3.34Å; Y688-Y690 PolarHBondContact O-N 3.17Å; Y690-R692 VanDerWaalsContact C-N 3.34Å; Y690-R692 PolarHBondContact O-N 3.17Å; Y690-R693 PolarHBondContact O-N 3.39Å; Y690-R693 VanDerWaalsContact O-N 3.17Å; Y690-Q694 HydrophobicContact CD1-CG 4.49Å; Y690-Q694 HydrophobicContact CE1-CG 4.1Å; Y690-Q694 VanDerWaalsContact CE1-NE2 3.26Å; Y690-Q694 VanDerWaalsContact CZ-NE2 3.25Å; Y690-Q694 PolarHBondContact O-N 3.39Å; Y690-Q694 PolarHBondContact OH-NE2 3.42Å
691	Q	76.4	Confident	72	Confident	121 Å²	121	128 Å²	128	57%	0.565	56%	0.561	S	S	*	*	H	α-helix	trans	-59	-44.3	175.7	-71.5	173.9	9.8	0	0	111.3	D687 Y688 R693 Q694 C695	D687-Q691 WeakPolarHBondContact O-CG 3.37Å; D687-Q691 PolarHBondContact O-N 3.18Å; Y688-Q691 PolarHBondContact O-N 3.02Å; Q691-R693 VanDerWaalsContact C-N 3.33Å; Q691-R693 PolarHBondContact O-N 3.43Å; Q691-Q694 PolarHBondContact O-N 3.47Å; Q691-C695 PolarHBondContact O-N 3.12Å; Q691-C695 PolarHBondContact O-SG 3.05Å
692	R	75.7	Confident	69.7	Low	137 Å²	137	132.4 Å²	132.4	52%	0.517	57%	0.574	S	S	.	*	H	α-helix	trans	-60.8	-38.6	176	-172.3	178.3	169.7	-165.8	-3.2	112.8	Y688 L689 Y690 K696	Y688-R692 WeakPolarHBondContact O-CB 3.32Å; Y688-R692 PolarHBondContact O-N 3.44Å; L689-R692 PolarHBondContact O-N 3.18Å; Y690-R692 VanDerWaalsContact C-N 3.34Å; Y690-R692 PolarHBondContact O-N 3.17Å; R692-K696 PolarHBondContact O-N 2.74Å
693	R	70.8	Confident	67.2	Low	182 Å²	182	131 Å²	131	69%	0.687	57%	0.571	S	S	*	*	H	α-helix	trans	-68.4	-37.4	175.6	-72.4	178.4	-172.2	-166.1	3.3	112.2	L689 Y690 Q691 K696 R697	L689-R693 WeakPolarHBondContact O-CG 3.25Å; L689-R693 PolarHBondContact O-N 3.41Å; Y690-R693 PolarHBondContact O-N 3.39Å; Y690-R693 VanDerWaalsContact O-N 3.17Å; Q691-R693 VanDerWaalsContact C-N 3.33Å; Q691-R693 PolarHBondContact O-N 3.43Å; R693-K696 PolarHBondContact O-N 3.08Å; R693-R697 PolarHBondContact O-N 2.77Å
694	Q	62.3	Low	64.7	Low	85 Å²	85	133.8 Å²	133.8	40%	0.397	59%	0.591	S	S	.	*	H	α-helix	trans	-67.1	-41.1	175.4	-74.8	-158.8	-11.5	0	0	112.8	Y690 Q691 K696 R697 K698	Y690-Q694 HydrophobicContact CD1-CG 4.49Å; Y690-Q694 HydrophobicContact CE1-CG 4.1Å; Y690-Q694 VanDerWaalsContact CE1-NE2 3.26Å; Y690-Q694 VanDerWaalsContact CZ-NE2 3.25Å; Y690-Q694 PolarHBondContact O-N 3.39Å; Y690-Q694 PolarHBondContact OH-NE2 3.42Å; Q691-Q694 PolarHBondContact O-N 3.47Å; Q694-K696 VanDerWaalsContact C-N 3.31Å; Q694-K696 PolarHBondContact O-N 2.87Å; Q694-R697 PolarHBondContact O-N 2.88Å; Q694-K698 PolarHBondContact O-N 3.27Å
695	C	55.8	Low	62.3	Low	87 Å²	87	134.8 Å²	134.8	59%	0.588	61%	0.606	S	S	*	*	H	α-helix	trans	-59.7	-41	175.4	-71.3	0	0	0	0	112	Q691 R697 K698 W699	Q691-C695 PolarHBondContact O-N 3.12Å; Q691-C695 PolarHBondContact O-SG 3.05Å; C695-R697 PolarHBondContact O-N 3.06Å; C695-K698 PolarHBondContact O-N 3.22Å; C695-W699 PolarHBondContact O-N 3.41Å; C695-W699 VanDerWaalsContact O-N 3.14Å
696	K	53.7	Low	59.8	Low	124 Å²	124	133.3 Å²	133.3	54%	0.539	61%	0.614	S	S	.	*	H	α-helix	trans	-64.1	-37.3	174.9	-72.7	-176.7	175	-168.5	0	113.4	R692 R693 Q694 W699 L700	R692-K696 PolarHBondContact O-N 2.74Å; R693-K696 PolarHBondContact O-N 3.08Å; Q694-K696 VanDerWaalsContact C-N 3.31Å; Q694-K696 PolarHBondContact O-N 2.87Å; K696-W699 PolarHBondContact O-N 3.48Å; K696-L700 PolarHBondContact O-N 3.13Å
697	R	52.6	Low	57.5	Low	189 Å²	189	133.1 Å²	133.1	71%	0.713	63%	0.625	S	S	*	*	H	α-helix	trans	-69.7	-38.7	176.4	-78	-176.9	172.3	-176	-2.7	112.7	R693 Q694 C695 W699 L700 F701	R693-R697 PolarHBondContact O-N 2.77Å; Q694-R697 PolarHBondContact O-N 2.88Å; C695-R697 PolarHBondContact O-N 3.06Å; R697-W699 VanDerWaalsContact C-N 3.3Å; R697-W699 PolarHBondContact O-N 3.37Å; R697-L700 PolarHBondContact O-N 3.48Å; R697-F701 PolarHBondContact O-N 3.42Å
698	K	47.4	Very low	55.4	Low	144 Å²	144	135.4 Å²	135.4	63%	0.626	64%	0.644	S	S	*	*	H	α-helix	trans	-61.6	-39.9	173	-74.4	-177	177.9	-179.9	0	111.2	Q694 C695 L700 F701	Q694-K698 PolarHBondContact O-N 3.27Å; C695-K698 PolarHBondContact O-N 3.22Å; K698-L700 VanDerWaalsContact C-N 3.35Å; K698-L700 PolarHBondContact O-N 2.95Å; K698-F701 PolarHBondContact O-N 3.43Å
699	W	50.2	Low	52.9	Low	190 Å²	190	136.2 Å²	136.2	72%	0.72	66%	0.658	S	S	*	*	H	α-helix	trans	-64.7	-34	179.1	-138.6	80.5	0	0	0	113.8	C695 K696 R697 N703	C695-W699 PolarHBondContact O-N 3.41Å; C695-W699 VanDerWaalsContact O-N 3.14Å; K696-W699 PolarHBondContact O-N 3.48Å; R697-W699 VanDerWaalsContact C-N 3.3Å; R697-W699 PolarHBondContact O-N 3.37Å; W699-N703 WeakPolarHBondContact CZ3-ND2 3.46Å
700	L	49.2	Very low	50.7	Low	123 Å²	123	137.7 Å²	137.7	64%	0.644	68%	0.675	S	S	*	*	H	α-helix	trans	-73.7	-24.5	176.8	-72.7	164.7	0	0	0	113.6	K696 R697 K698	K696-L700 PolarHBondContact O-N 3.13Å; R697-L700 PolarHBondContact O-N 3.48Å; K698-L700 VanDerWaalsContact C-N 3.35Å; K698-L700 PolarHBondContact O-N 2.95Å
701	F	46.1	Very low	48.6	Very low	172 Å²	172	139.2 Å²	139.2	75%	0.754	69%	0.692	S	S	*	*	H	α-helix	trans	-77.5	-22.6	177.2	-97.5	-86.6	0	0	0	113.7	R697 K698 N703	R697-F701 PolarHBondContact O-N 3.42Å; K698-F701 PolarHBondContact O-N 3.43Å; F701-N703 VanDerWaalsContact C-N 3.34Å
702	W	46.7	Very low	46.4	Very low	225 Å²	225	139 Å²	139	85%	0.852	70%	0.704	S	S	*	*	S	Bend	trans	-85.8	-6.2	176	-72.6	101.1	0	0	0	113.6
703	N	40.1	Very low	45.1	Very low	105 Å²	105	138.3 Å²	138.3	56%	0.561	72%	0.717	S	S	*	*			trans	-124.2	51	-178.5	-75.2	-35.8	0	0	0	111.8	W699 F701	W699-N703 WeakPolarHBondContact CZ3-ND2 3.46Å; F701-N703 VanDerWaalsContact C-N 3.34Å
704	L	37.8	Very low	43.1	Very low	134 Å²	134	135.6 Å²	135.6	70%	0.702	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-94.4	124	154.2	-89.4	108.9	0	0	0	108.1	S706	L704-S706 PolarHBondContact O-N 3.45Å
705	P	39.5	Very low	41.6	Very low	122 Å²	122	134.8 Å²	134.8	79%	0.792	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-67.7	130.6	173.6	14.1	-7.4	0	0	0	109.3
706	S	38.4	Very low	40.4	Very low	114 Å²	114	135.8 Å²	135.8	80%	0.797	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-57.5	132.9	166.8	31.5	0	0	0	0	110.1	L704	L704-S706 PolarHBondContact O-N 3.45Å
707	S	38	Very low	39.4	Very low	111 Å²	111	135.4 Å²	135.4	78%	0.776	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-48.8	137.9	175.4	-32.9	0	0	0	0	111.6	N709	S707-N709 PolarHBondContact O-N 3.42Å
708	P	38.3	Very low	38.5	Very low	127 Å²	127	130 Å²	130	83%	0.825	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-78.7	123	176.3	30.5	-28.9	0	0	0	109.8
709	N	32.7	Very low	38	Very low	162 Å²	162	130.9 Å²	130.9	87%	0.866	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-67.1	137	164.3	-107.2	-8	0	0	0	109.5	S707 N711	S707-N709 PolarHBondContact O-N 3.42Å; N709-N711 PolarHBondContact O-N 2.87Å
710	S	36.3	Very low	37.5	Very low	103 Å²	103	133 Å²	133	72%	0.72	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-53.5	125.5	171.5	50.8	0	0	0	0	112.4
711	N	32.5	Very low	36.9	Very low	167 Å²	167	133.5 Å²	133.5	89%	0.893	80%	0.798	S	S	*	*			trans	-154.4	125.8	145.8	-99.8	-14.6	0	0	0	110.1	N709	N709-N711 PolarHBondContact O-N 2.87Å
712	S	31.1	Very low	36.4	Very low	116 Å²	116	131.5 Å²	131.5	81%	0.811	80%	0.8	S	S	*	*			trans	-76.1	166.8	175.5	44.2	0	0	0	0	112.3
713	P	48.3	Very low	35.8	Very low	122 Å²	122	126.3 Å²	126.3	79%	0.792	80%	0.797	S	S	*	*			trans	-107.1	161.8	-138.7	39.3	-34.4	0	0	0	114.8
714	S	29	Very low	35.6	Very low	126 Å²	126	127.5 Å²	127.5	88%	0.881	81%	0.811	S	S	*	*			trans	-163.3	142.2	147.7	53.3	0	0	0	0	111.2
715	G	30.5	Very low	35.4	Very low	68 Å²	68	127.1 Å²	127.1	70%	0.701	82%	0.818	S	S	*	*			trans	110.7	72.7	155.1	0	0	0	0	0	118.1
716	S	30.9	Very low	35.2	Very low	107 Å²	107	127.5 Å²	127.5	75%	0.748	82%	0.819	S	S	*	*				47.1	125.2	124.2	-46.1	0	0	0	0	121.9
717	S	32.4	Very low	34.9	Very low	117 Å²	117	128.4 Å²	128.4	82%	0.818	82%	0.821	S	S	*	*			trans	62.2	145.2	136.6	45.4	0	0	0	0	118.7
718	A	33.5	Very low	34.7	Very low	76 Å²	76	129.8 Å²	129.8	63%	0.628	82%	0.824	S	S	*	*			cis	180	147.4	-8.1	0	0	0	0	0	104.1
719	I	36.8	Very low	34.4	Very low	161 Å²	161	130 Å²	130	83%	0.826	82%	0.824	S	S	*	*			trans	59	110.1	147.9	-54	158.2	0	0	0	115.1
720	I	38.6	Very low	34.5	Very low	235 Å²	235	127.1 Å²	127.1	100%	1.205	82%	0.82	S	S	*	*				-154.3	0	64.4	-70.3	177.4	0	0	0	108.7

Retrieved 720 of 720 residues in 204 ms (Link to these results)

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