A0A087X7J6_POEFO Loading...

Dual specificity phosphatase 16

AlphaFold DB , UniProt , Accession A0A087X7J6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 635 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	E	39.3	Very low	54	Low	231 Å²	231	136.2 Å²	136.2	100%	1.079	72%	0.723	S	S	*	*				0	162.5	0	-67.3	78.5	97.2	0	0	108.8
2	R	37	Very low	57.1	Low	249 Å²	249	139.1 Å²	139.1	94%	0.94	72%	0.717	S	S	*	*			trans	-103.4	117.7	151.3	-78.7	-170	177.5	-168.3	0	107	A4	R2-A4 PolarHBondContact O-N 3.32Å; R2-A4 VanDerWaalsContact O-N 3.13Å
3	S	45.7	Very low	60	Low	118 Å²	118	134.2 Å²	134.2	83%	0.825	70%	0.699	S	S	*	*			trans	-64.8	113.4	173	-172.3	0	0	0	0	108.4	M5	S3-M5 PolarHBondContact O-N 3.38Å
4	A	42.4	Very low	62.6	Low	89 Å²	89	125.7 Å²	125.7	74%	0.736	66%	0.655	S	S	*	*			trans	-77.3	108.3	173.4	0	0	0	0	0	107.9	R2	R2-A4 PolarHBondContact O-N 3.32Å; R2-A4 VanDerWaalsContact O-N 3.13Å
5	M	39.8	Very low	64.9	Low	166 Å²	166	119.1 Å²	119.1	82%	0.818	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-49	133	162.6	-73.2	-68.9	-159.5	0	0	108.2	S3 R7	S3-M5 PolarHBondContact O-N 3.38Å; M5-R7 PolarHBondContact O-N 3.42Å
6	P	45.3	Very low	66.8	Low	117 Å²	117	111.9 Å²	111.9	76%	0.76	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-57.9	128.4	173.6	25.3	-32.8	0	0	0	108.2
7	R	53.1	Low	68.5	Low	232 Å²	232	111.5 Å²	111.5	88%	0.875	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-60.5	138.2	167.3	-67.8	-178.4	178.1	179.3	-1.1	107.1	M5 S9	M5-R7 PolarHBondContact O-N 3.42Å; R7-S9 PolarHBondContact O-N 2.76Å
8	P	57.1	Low	70	Confident	116 Å²	116	107.7 Å²	107.7	75%	0.753	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-57.2	139.9	169.7	26.9	-34	0	0	0	108.4	T10	P8-T10 PolarHBondContact O-N 3.03Å
9	S	65.9	Low	71.3	Confident	75 Å²	75	102.1 Å²	102.1	52%	0.524	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-58.5	125.8	178.5	49.5	0	0	0	0	109.5	R7 V11	R7-S9 PolarHBondContact O-N 2.76Å; S9-V11 VanDerWaalsContact C-N 3.3Å
10	T	78.8	Confident	72.5	Confident	94 Å²	94	97.8 Å²	97.8	58%	0.577	52%	0.521	S	S	*	.			trans	-76.2	-17.7	170	39.3	0	0	0	0	112.7	P8 R12 E116	P8-T10 PolarHBondContact O-N 3.03Å; T10-R12 PolarHBondContact O-N 3.44Å; T10-E116 WeakPolarHBondContact CA-OE1 3.36Å; T10-E116 PolarHBondContact N-OE1 2.97Å; T10-E116 PolarHBondContact OG1-OE1 3.5Å
11	V	90	Very high	73.5	Confident	11 Å²	11	97.7 Å²	97.7	7%	0.067	52%	0.524	C	S	.	.			trans	-53.6	129.4	173.3	-167	0	0	0	0	111.1	S9 P99 L112 E116 V122 L124	S9-V11 VanDerWaalsContact C-N 3.3Å; V11-P99 HydrophobicContact CB-CB 4.23Å; V11-P99 HydrophobicContact CB-CG 4.1Å; V11-P99 HydrophobicContact CG1-CB 4.16Å; V11-P99 HydrophobicContact CG1-CG 3.63Å; V11-L112 HydrophobicContact CG1-CD1 4.37Å; V11-L112 HydrophobicContact CG1-CD2 3.9Å; V11-L112 HydrophobicContact CG2-CB 4.11Å; V11-L112 HydrophobicContact CG2-CD2 4.14Å; V11-E116 HydrophobicContact CG2-CG 3.66Å; V11-E116 WeakPolarHBondContact CG2-OE1 3.42Å; V11-E116 PolarHBondContact N-OE1 2.92Å; V11-V122 WeakPolarHBondContact CA-O 3.41Å; V11-V122 HydrophobicContact CG2-CG1 4.33Å; V11-L124 HydrophobicContact CG1-CB 4.24Å
12	R	91.3	Very high	75.9	Confident	171 Å²	171	88.3 Å²	88.3	65%	0.645	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	147.9	172.5	-63.1	178.7	-175.1	-175.6	0.4	110.6	T10 V122 H123 L124	T10-R12 PolarHBondContact O-N 3.44Å; R12-V122 PolarHBondContact N-O 3.34Å; R12-H123 CarbonylContact O-C 3.54Å; R12-H123 WeakPolarHBondContact O-CA 3.12Å; R12-H123 WeakPolarHBondContact O-CB 3.08Å; R12-L124 PolarHBondContact O-N 2.58Å
13	P	94.9	Very high	78.4	Confident	75 Å²	75	78 Å²	78	49%	0.487	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	139.2	162.8	30	-33.1	0	0	0	109.7	S97 L124	P13-S97 WeakPolarHBondContact CB-O 3.29Å; P13-L124 CarbonylContact C-O 3.53Å; P13-L124 VanDerWaalsContact CA-O 3.3Å; P13-L124 WeakPolarHBondContact CA-O 3.39Å
14	I	96	Very high	80.4	Confident	16 Å²	16	79.6 Å²	79.6	8%	0.082	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.4	171.5	-170.6	170.6	0	0	0	109.4	A18 L22 V90 H123 L124 L125 S126	I14-A18 HydrophobicContact CD1-CB 3.99Å; I14-A18 HydrophobicContact CG1-CB 3.56Å; I14-L22 HydrophobicContact CD1-CD1 3.43Å; I14-L22 VanDerWaalsContact CD1-CD1 3.43Å; I14-L22 HydrophobicContact CD1-CG 4.25Å; I14-V90 HydrophobicContact CG2-CG1 3.87Å; I14-H123 HydrophobicContact CB-CB 3.98Å; I14-H123 HydrophobicContact CG2-CB 3.65Å; I14-L124 PolarHBondContact N-O 3.23Å; I14-L125 HydrophobicContact CG2-CD1 4.43Å; I14-S126 PolarHBondContact O-N 2.97Å
15	G	96.6	Very high	82.3	Confident	27 Å²	27	77.6 Å²	77.6	28%	0.278	43%	0.426	S	S	.	.			trans	-74	154.8	177.8	0	0	0	0	0	112.4	E17 A18 L19	G15-E17 VanDerWaalsContact C-N 3.29Å; G15-E17 PolarHBondContact O-N 3.46Å; G15-A18 PolarHBondContact O-N 3.48Å; G15-L19 PolarHBondContact O-N 3.18Å
16	P	95.9	Very high	84.1	Confident	3 Å²	3	71 Å²	71	2%	0.019	40%	0.401	C	S	.	.	H	α-helix	trans	-50.3	-43.9	176.1	-31.1	38.9	0	0	0	114.3	A18 L19 V20 L125 E131 F132 L135 F136	P16-A18 VanDerWaalsContact C-N 3.33Å; P16-A18 PolarHBondContact O-N 3.38Å; P16-L19 PolarHBondContact O-N 3.22Å; P16-V20 PolarHBondContact O-N 2.88Å; P16-V20 VanDerWaalsContact O-N 3.14Å; P16-L125 HydrophobicContact CG-CD1 4.49Å; P16-E131 HydrophobicContact CG-CG 4.28Å; P16-F132 HydrophobicContact CB-CB 4.48Å; P16-F132 HydrophobicContact CB-CD2 3.89Å; P16-L135 HydrophobicContact CB-CD1 3.75Å; P16-L135 HydrophobicContact CG-CD1 3.89Å; P16-F136 HydrophobicContact CB-CD2 4.15Å; P16-F136 HydrophobicContact CB-CE2 3.79Å
17	E	96.1	Very high	85.2	Confident	105 Å²	105	70.1 Å²	70.1	49%	0.491	39%	0.389	S	S	.	.	H	α-helix	trans	-62.9	-39.7	178.3	-58.3	70.9	-159.8	0	0	111.7	G15 V20 V21 F136	G15-E17 VanDerWaalsContact C-N 3.29Å; G15-E17 PolarHBondContact O-N 3.46Å; E17-V20 PolarHBondContact O-N 3.49Å; E17-V21 WeakPolarHBondContact O-CG2 3.18Å; E17-V21 PolarHBondContact O-N 3.39Å; E17-V21 VanDerWaalsContact O-N 3.07Å; E17-F136 HydrophobicContact CG-CZ 4.2Å
18	A	94.9	Very high	86.3	Confident	44 Å²	44	66 Å²	66	36%	0.364	38%	0.384	S	S	.	.	H	α-helix	trans	-72.2	-31.2	180	0	0	0	0	0	112	I14 G15 P16 V21 L22	I14-A18 HydrophobicContact CD1-CB 3.99Å; I14-A18 HydrophobicContact CG1-CB 3.56Å; G15-A18 PolarHBondContact O-N 3.48Å; P16-A18 VanDerWaalsContact C-N 3.33Å; P16-A18 PolarHBondContact O-N 3.38Å; A18-V21 PolarHBondContact O-N 3.02Å; A18-L22 WeakPolarHBondContact O-CG 3.21Å; A18-L22 PolarHBondContact O-N 2.88Å
19	L	95.1	Very high	87.4	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-64.3	-40.8	167.9	172	58.4	0	0	0	111.3	G15 P16 V21 L22 L23 L32 I46 V90 L125 F132	G15-L19 PolarHBondContact O-N 3.18Å; P16-L19 PolarHBondContact O-N 3.22Å; L19-V21 PolarHBondContact O-N 3Å; L19-L22 PolarHBondContact O-N 3.29Å; L19-L23 HydrophobicContact CD1-CD1 4.04Å; L19-L23 HydrophobicContact CD1-CD2 4.42Å; L19-L23 HydrophobicContact CD1-CG 3.98Å; L19-L23 HydrophobicContact CG-CD1 4.04Å; L19-L23 HydrophobicContact CG-CG 4.44Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 3.41Å; L19-L32 HydrophobicContact CD1-CD1 4.14Å; L19-L32 HydrophobicContact CD2-CD1 4.05Å; L19-I46 HydrophobicContact CD2-CD1 3.98Å; L19-V90 HydrophobicContact CD1-CB 4.26Å; L19-V90 HydrophobicContact CD1-CG1 4.17Å; L19-V90 HydrophobicContact CD1-CG2 4.13Å; L19-V90 HydrophobicContact CD2-CG1 4.37Å; L19-L125 HydrophobicContact CB-CD1 4.06Å; L19-L125 HydrophobicContact CD2-CD1 3.77Å; L19-L125 HydrophobicContact CD2-CD2 3.74Å; L19-L125 HydrophobicContact CD2-CG 4.32Å; L19-F132 HydrophobicContact CB-CE2 4.27Å; L19-F132 HydrophobicContact CD2-CD2 3.92Å; L19-F132 HydrophobicContact CD2-CE2 3.68Å; L19-F132 HydrophobicContact CD2-CZ 4.34Å; L19-F132 HydrophobicContact CG-CE2 3.97Å
20	V	94.3	Very high	88.6	Confident	17 Å²	17	63.8 Å²	63.8	10%	0.103	35%	0.352	C	S	.	.	H	α-helix	trans	-60.4	-45.4	175.3	178.5	0	0	0	0	111.3	P16 E17 L22 L23 E24 F132 F136 L139	P16-V20 PolarHBondContact O-N 2.88Å; P16-V20 VanDerWaalsContact O-N 3.14Å; E17-V20 PolarHBondContact O-N 3.49Å; V20-L22 VanDerWaalsContact C-N 3.29Å; V20-L22 PolarHBondContact O-N 2.96Å; V20-L23 PolarHBondContact O-N 3.44Å; V20-L23 VanDerWaalsContact O-N 3.1Å; V20-E24 HydrophobicContact CG1-CG 4.34Å; V20-E24 WeakPolarHBondContact O-CG 3.49Å; V20-E24 PolarHBondContact O-N 3.29Å; V20-F132 HydrophobicContact CG2-CE2 3.92Å; V20-F132 HydrophobicContact CG2-CZ 4.15Å; V20-F136 HydrophobicContact CG2-CD1 3.79Å; V20-F136 HydrophobicContact CG2-CD2 3.72Å; V20-F136 HydrophobicContact CG2-CE1 3.84Å; V20-F136 HydrophobicContact CG2-CE2 3.78Å; V20-F136 HydrophobicContact CG2-CG 3.73Å; V20-F136 HydrophobicContact CG2-CZ 3.84Å; V20-L139 HydrophobicContact CG1-CD1 4.14Å; V20-L139 HydrophobicContact CG2-CD1 3.72Å
21	V	93.4	Very high	89.2	Confident	96 Å²	96	59.5 Å²	59.5	58%	0.582	33%	0.326	S	S	*	.	H	α-helix	trans	-61	-34.6	175.9	174.3	0	0	0	0	112.6	E17 A18 L19 G25	E17-V21 WeakPolarHBondContact O-CG2 3.18Å; E17-V21 PolarHBondContact O-N 3.39Å; E17-V21 VanDerWaalsContact O-N 3.07Å; A18-V21 PolarHBondContact O-N 3.02Å; L19-V21 PolarHBondContact O-N 3Å; V21-G25 PolarHBondContact O-N 3.09Å; V21-G25 VanDerWaalsContact O-N 3.12Å
22	L	90.9	Very high	89.4	Confident	34 Å²	34	59.4 Å²	59.4	18%	0.178	32%	0.324	C	S	.	.	H	α-helix	trans	-67.6	-41.8	172.7	-74	-178	0	0	0	112.4	I14 A18 L19 V20 G25 V30 V90	I14-L22 HydrophobicContact CD1-CD1 3.43Å; I14-L22 VanDerWaalsContact CD1-CD1 3.43Å; I14-L22 HydrophobicContact CD1-CG 4.25Å; A18-L22 WeakPolarHBondContact O-CG 3.21Å; A18-L22 PolarHBondContact O-N 2.88Å; L19-L22 PolarHBondContact O-N 3.29Å; V20-L22 VanDerWaalsContact C-N 3.29Å; V20-L22 PolarHBondContact O-N 2.96Å; L22-G25 WeakPolarHBondContact O-CA 3.2Å; L22-G25 PolarHBondContact O-N 3.41Å; L22-G25 VanDerWaalsContact O-N 3.11Å; L22-V30 HydrophobicContact CB-CG2 4.08Å; L22-V90 HydrophobicContact CD1-CG2 4.13Å
23	L	89.7	Confident	89.6	Confident	31 Å²	31	51.2 Å²	51.2	16%	0.162	29%	0.294	C	S	.	.	H	α-helix	trans	-67.4	-39.7	178.6	-66	168.9	0	0	0	111.8	L19 V20 G25 G26 L27 V30	L19-L23 HydrophobicContact CD1-CD1 4.04Å; L19-L23 HydrophobicContact CD1-CD2 4.42Å; L19-L23 HydrophobicContact CD1-CG 3.98Å; L19-L23 HydrophobicContact CG-CD1 4.04Å; L19-L23 HydrophobicContact CG-CG 4.44Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 3.41Å; V20-L23 PolarHBondContact O-N 3.44Å; V20-L23 VanDerWaalsContact O-N 3.1Å; L23-G25 PolarHBondContact O-N 3.26Å; L23-G26 PolarHBondContact O-N 3.4Å; L23-L27 HydrophobicContact CB-CD2 4.3Å; L23-L27 HydrophobicContact CD2-CD2 3.66Å; L23-V30 HydrophobicContact CD2-CG1 4.33Å
24	E	87.8	Confident	89.6	Confident	153 Å²	153	47.7 Å²	47.7	72%	0.715	27%	0.271	S	S	*	.	H	α-helix	trans	-62.2	-27.2	170.1	-70.8	-179.8	164.9	0	0	112.4	V20 G26	V20-E24 HydrophobicContact CG1-CG 4.34Å; V20-E24 WeakPolarHBondContact O-CG 3.49Å; V20-E24 PolarHBondContact O-N 3.29Å; E24-G26 PolarHBondContact O-N 3.38Å
25	G	82.3	Confident	89.6	Confident	46 Å²	46	47.3 Å²	47.3	47%	0.474	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-2.9	174.6	0	0	0	0	0	115.7	V21 L22 L23	V21-G25 PolarHBondContact O-N 3.09Å; V21-G25 VanDerWaalsContact O-N 3.12Å; L22-G25 WeakPolarHBondContact O-CA 3.2Å; L22-G25 PolarHBondContact O-N 3.41Å; L22-G25 VanDerWaalsContact O-N 3.11Å; L23-G25 PolarHBondContact O-N 3.26Å
26	G	76.3	Confident	89.4	Confident	27 Å²	27	46.5 Å²	46.5	28%	0.278	26%	0.258	S	S	.	.			trans	110	119.2	174.5	0	0	0	0	0	113.6	L23 E24 D28 R29	L23-G26 PolarHBondContact O-N 3.4Å; E24-G26 PolarHBondContact O-N 3.38Å; G26-D28 VanDerWaalsContact C-N 3.27Å; G26-D28 PolarHBondContact O-N 3.27Å; G26-R29 PolarHBondContact O-N 2.91Å; G26-R29 VanDerWaalsContact O-N 3.1Å
27	L	69.8	Low	88.9	Confident	99 Å²	99	49.7 Å²	49.7	52%	0.518	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-58.9	-32.2	-173.8	-59.3	179	0	0	0	113.9	L23 R29 V30 E48	L23-L27 HydrophobicContact CB-CD2 4.3Å; L23-L27 HydrophobicContact CD2-CD2 3.66Å; L27-R29 PolarHBondContact O-N 3.07Å; L27-V30 PolarHBondContact O-N 3.16Å; L27-E48 HydrophobicContact CD1-CG 4.47Å
28	D	74.6	Confident	88.2	Confident	145 Å²	145	47 Å²	47	78%	0.775	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-57.2	-19.1	178.1	-53.3	-42.7	0	0	0	113.5	G26 Q87	G26-D28 VanDerWaalsContact C-N 3.27Å; G26-D28 PolarHBondContact O-N 3.27Å; D28-Q87 PolarHBondContact O-NE2 3.26Å
29	R	81.5	Confident	87.6	Confident	127 Å²	127	48.1 Å²	48.1	48%	0.479	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-100.3	-6.1	-177.2	-57.9	-173	64.3	-120.8	-12.9	114.1	G26 L27 Q87 E88	G26-R29 PolarHBondContact O-N 2.91Å; G26-R29 VanDerWaalsContact O-N 3.1Å; L27-R29 PolarHBondContact O-N 3.07Å; R29-Q87 WeakPolarHBondContact O-CA 3.26Å; R29-E88 PolarHBondContact O-N 3.08Å
30	V	89.8	Confident	87.1	Confident	18 Å²	18	51.3 Å²	51.3	11%	0.109	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	117	-171.4	-175	0	0	0	0	111.2	L22 L23 L27 E88 V90	L22-V30 HydrophobicContact CB-CG2 4.08Å; L23-V30 HydrophobicContact CD2-CG1 4.33Å; L27-V30 PolarHBondContact O-N 3.16Å; V30-E88 CarbonylContact C-O 3.58Å; V30-E88 WeakPolarHBondContact CA-O 3.46Å; V30-V90 HydrophobicContact CG1-CG2 4.41Å
31	V	91.5	Very high	86.9	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.03	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	97.3	173.4	-177.2	0	0	0	0	108.8	I33 L50 L83 Q87 E88 V89 V90	V31-I33 HydrophobicContact CG1-CD1 4.32Å; V31-I33 HydrophobicContact CG1-CG1 4.16Å; V31-L50 HydrophobicContact CG1-CD1 4.02Å; V31-L83 HydrophobicContact CG2-CD2 4.03Å; V31-Q87 HydrophobicContact CG2-CB 4.17Å; V31-E88 PolarHBondContact N-O 3.08Å; V31-V89 HydrophobicContact CB-CG2 4.31Å; V31-V89 WeakPolarHBondContact O-CA 3.49Å; V31-V90 PolarHBondContact O-N 3.5Å
32	L	94.4	Very high	86.4	Confident	8 Å²	8	48.8 Å²	48.8	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	127.4	179.9	-174.6	60.1	0	0	0	110.8	L19 I46 A49 L50 V90 Y92	L19-L32 HydrophobicContact CD1-CD1 4.14Å; L19-L32 HydrophobicContact CD2-CD1 4.05Å; L32-I46 HydrophobicContact CD2-CB 3.85Å; L32-I46 HydrophobicContact CD2-CG2 3.54Å; L32-A49 HydrophobicContact CB-CB 4.49Å; L32-A49 HydrophobicContact CD2-CB 3.99Å; L32-A49 HydrophobicContact CG-CB 3.86Å; L32-A49 WeakPolarHBondContact O-CA 3.38Å; L32-L50 PolarHBondContact O-N 2.86Å; L32-V90 CarbonylContact C-O 3.45Å; L32-V90 WeakPolarHBondContact CA-O 3.23Å; L32-V90 HydrophobicContact CD1-CB 3.96Å; L32-V90 HydrophobicContact CD1-CG1 4.09Å; L32-Y92 HydrophobicContact CD1-CD1 3.86Å; L32-Y92 HydrophobicContact CD1-CE1 3.89Å; L32-Y92 HydrophobicContact CD2-CE1 4.42Å; L32-Y92 HydrophobicContact CG-CD1 4.43Å; L32-Y92 HydrophobicContact CG-CE1 3.96Å
33	I	95.7	Very high	86.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	120.9	-171.7	-63.3	170.9	0	0	0	111	V31 L50 V52 L73 V89 V90 V91 Y92 L111 L115	V31-I33 HydrophobicContact CG1-CD1 4.32Å; V31-I33 HydrophobicContact CG1-CG1 4.16Å; I33-L50 WeakPolarHBondContact CA-O 3.33Å; I33-V52 HydrophobicContact CG2-CB 4.15Å; I33-V52 HydrophobicContact CG2-CG2 3.61Å; I33-L73 HydrophobicContact CD1-CD1 4.28Å; I33-L73 HydrophobicContact CD1-CD2 3.6Å; I33-L73 HydrophobicContact CG1-CD2 3.91Å; I33-V89 HydrophobicContact CD1-CG1 3.49Å; I33-V89 VanDerWaalsContact CD1-CG1 3.49Å; I33-V89 HydrophobicContact CG1-CG1 4.36Å; I33-V90 PolarHBondContact N-O 3.5Å; I33-V91 HydrophobicContact CB-CG1 4.37Å; I33-V91 HydrophobicContact CB-CG2 4.3Å; I33-V91 HydrophobicContact CD1-CG2 4.3Å; I33-V91 HydrophobicContact CG2-CG1 4.15Å; I33-V91 WeakPolarHBondContact O-CA 3.45Å; I33-Y92 VanDerWaalsContact O-CD1 3.25Å; I33-Y92 WeakPolarHBondContact O-CD1 3.19Å; I33-Y92 PolarHBondContact O-N 2.87Å; I33-L111 HydrophobicContact CG2-CD2 4.16Å; I33-L115 HydrophobicContact CD1-CD1 3.88Å; I33-L115 HydrophobicContact CD1-CD2 3.87Å
34	D	95.6	Very high	86	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	113.7	167.4	-165.3	-24.3	0	0	0	110.5	R36 Y41 A49 L50 N51 V52 Y92	D34-R36 WeakPolarHBondContact OD1-CB 3.42Å; D34-R36 WeakPolarHBondContact OD1-CG 3.31Å; D34-R36 PolarHBondContact OD1-N 3Å; D34-R36 IonicContact OD1-NE 3.57Å; D34-R36 PolarHBondContact OD1-NE 3.44Å; D34-R36 VanDerWaalsContact OD1-NE 3.07Å; D34-R36 IonicContact OD2-CZ 2.72Å; D34-R36 VanDerWaalsContact OD2-CZ 3.24Å; D34-R36 IonicContact OD2-NE 3.46Å; D34-R36 PolarHBondContact OD2-NE 3.16Å; D34-R36 IonicContact OD2-NH2 3.93Å; D34-R36 PolarHBondContact OD2-NH2 2.96Å; D34-Y41 HydrophobicContact CB-CD2 3.79Å; D34-Y41 HydrophobicContact CB-CE2 4.28Å; D34-Y41 WeakPolarHBondContact OD2-CD2 3.27Å; D34-A49 HydrophobicContact CB-CB 4.4Å; D34-L50 PolarHBondContact N-O 3.11Å; D34-N51 WeakPolarHBondContact O-CA 3.32Å; D34-N51 PolarHBondContact O-ND2 2.82Å; D34-N51 VanDerWaalsContact O-ND2 3.12Å; D34-V52 PolarHBondContact O-N 2.88Å; D34-Y92 HydrophobicContact CB-CE1 4.01Å; D34-Y92 HydrophobicContact CB-CE2 3.89Å; D34-Y92 WeakPolarHBondContact OD2-CE2 3.05Å; D34-Y92 PolarHBondContact OD2-OH 2.79Å
35	S	94.9	Very high	86.3	Confident	8 Å²	8	42.3 Å²	42.3	6%	0.056	24%	0.24	C	C	.	.			trans	-86.4	-9.2	178.5	70.3	0	0	0	0	114.3	G54 Y92 D93	S35-G54 PolarHBondContact O-N 3.4Å; S35-Y92 WeakPolarHBondContact CB-O 3.31Å; S35-Y92 PolarHBondContact N-O 3.13Å; S35-Y92 PolarHBondContact OG-O 2.9Å; S35-D93 WeakPolarHBondContact OG-CB 3.42Å
36	R	92.5	Very high	86.9	Confident	10 Å²	10	40.1 Å²	40.1	4%	0.038	22%	0.217	C	C	.	.	S	Bend	trans	-66.4	162.7	-175.1	-61.1	179.7	-62.6	154.9	2.4	112.6	D34 D40 S44 N51 D93 Q94	D34-R36 WeakPolarHBondContact OD1-CB 3.42Å; D34-R36 WeakPolarHBondContact OD1-CG 3.31Å; D34-R36 PolarHBondContact OD1-N 3Å; D34-R36 IonicContact OD1-NE 3.57Å; D34-R36 PolarHBondContact OD1-NE 3.44Å; D34-R36 VanDerWaalsContact OD1-NE 3.07Å; D34-R36 IonicContact OD2-CZ 2.72Å; D34-R36 VanDerWaalsContact OD2-CZ 3.24Å; D34-R36 IonicContact OD2-NE 3.46Å; D34-R36 PolarHBondContact OD2-NE 3.16Å; D34-R36 IonicContact OD2-NH2 3.93Å; D34-R36 PolarHBondContact OD2-NH2 2.96Å; R36-D40 HydrophobicContact CB-CB 4.3Å; R36-S44 PolarHBondContact NH1-O 3.21Å; R36-S44 PolarHBondContact NH2-O 3.04Å; R36-N51 PolarHBondContact O-ND2 3.46Å; R36-D93 HydrophobicContact CG-CB 4.48Å; R36-Q94 HydrophobicContact CG-CB 4.48Å
37	P	86.1	Confident	87.6	Confident	71 Å²	71	42.1 Å²	42.1	46%	0.461	22%	0.221	S	C	.	.			trans	-49.5	140.8	167.3	-27.3	34.6	0	0	0	112.9	V39 D40 Y41	P37-V39 PolarHBondContact O-N 3.34Å; P37-D40 VanDerWaalsContact CD-OD2 3.32Å; P37-D40 WeakPolarHBondContact CD-OD2 3.23Å; P37-D40 WeakPolarHBondContact CG-OD2 3.45Å; P37-D40 PolarHBondContact O-N 2.81Å; P37-Y41 PolarHBondContact O-N 3.13Å
38	F	82	Confident	88.4	Confident	47 Å²	47	43.7 Å²	43.7	21%	0.206	23%	0.226	C	C	.	.	H	α-helix	trans	-51	-28.6	177.5	-178.6	-113	0	0	0	114.3	N42 N53 F289	F38-N42 WeakPolarHBondContact CD1-ND2 3.45Å; F38-N42 WeakPolarHBondContact CD2-ND2 3.46Å; F38-N42 WeakPolarHBondContact CE1-ND2 3.21Å; F38-N42 WeakPolarHBondContact CE2-ND2 3.4Å; F38-N42 WeakPolarHBondContact CG-ND2 3.48Å; F38-N42 WeakPolarHBondContact CZ-ND2 3.36Å; F38-N42 WeakPolarHBondContact O-CB 3.45Å; F38-N42 PolarHBondContact O-N 2.74Å; F38-N42 PolarHBondContact O-ND2 2.95Å; F38-N53 PolarHBondContact N-OD1 3.03Å; F38-F289 HydrophobicContact CD1-CZ 4.36Å; F38-F289 HydrophobicContact CD2-CZ 4.48Å; F38-F289 HydrophobicContact CE1-CE1 4.5Å; F38-F289 AromaticContact CE1-CZ 3.96Å; F38-F289 HydrophobicContact CE1-CZ 3.96Å; F38-F289 HydrophobicContact CE2-CZ 4.09Å; F38-F289 HydrophobicContact CZ-CE1 4.19Å; F38-F289 AromaticContact CZ-CZ 3.8Å; F38-F289 HydrophobicContact CZ-CZ 3.8Å
39	V	80.7	Confident	89.3	Confident	69 Å²	69	36.9 Å²	36.9	42%	0.418	19%	0.19	S	C	.	.	H	α-helix	trans	-69	-41.3	176.9	-179.9	0	0	0	0	111.8	P37 T43	P37-V39 PolarHBondContact O-N 3.34Å; V39-T43 WeakPolarHBondContact O-CB 3.43Å; V39-T43 PolarHBondContact O-N 3.19Å; V39-T43 VanDerWaalsContact O-N 3.15Å; V39-T43 PolarHBondContact O-OG1 3.3Å
40	D	86.1	Confident	89.8	Confident	67 Å²	67	32 Å²	32	36%	0.358	17%	0.173	S	C	.	.	H	α-helix	trans	-72.4	-44.6	-177.4	-56	-38.9	0	0	0	110	R36 P37 T43 S44	R36-D40 HydrophobicContact CB-CB 4.3Å; P37-D40 VanDerWaalsContact CD-OD2 3.32Å; P37-D40 WeakPolarHBondContact CD-OD2 3.23Å; P37-D40 WeakPolarHBondContact CG-OD2 3.45Å; P37-D40 PolarHBondContact O-N 2.81Å; D40-T43 WeakPolarHBondContact O-CB 3.36Å; D40-T43 PolarHBondContact O-N 3.28Å; D40-T43 VanDerWaalsContact O-N 3.11Å; D40-S44 PolarHBondContact O-N 2.91Å; D40-S44 VanDerWaalsContact O-O 3.11Å
41	Y	88.5	Confident	89.9	Confident	20 Å²	20	32 Å²	32	8%	0.078	17%	0.172	C	C	.	.	H	α-helix	trans	-54.8	-52.1	171.5	173.2	-94.6	0	0	0	112.4	D34 P37 T43 S44 H45 A49 N51	D34-Y41 HydrophobicContact CB-CD2 3.79Å; D34-Y41 HydrophobicContact CB-CE2 4.28Å; D34-Y41 WeakPolarHBondContact OD2-CD2 3.27Å; P37-Y41 PolarHBondContact O-N 3.13Å; Y41-T43 PolarHBondContact O-N 3.47Å; Y41-T43 VanDerWaalsContact O-N 3.13Å; Y41-S44 CarbonylContact O-C 3.53Å; Y41-S44 PolarHBondContact O-N 3.14Å; Y41-H45 HydrophobicContact CD2-CB 3.4Å; Y41-H45 AromaticContact CD2-CD2 3.84Å; Y41-H45 AromaticContact CD2-CG 3.47Å; Y41-H45 VanDerWaalsContact CD2-CG 3.47Å; Y41-H45 AromaticContact CD2-ND1 3.9Å; Y41-H45 HydrophobicContact CE2-CB 3.76Å; Y41-H45 AromaticContact CE2-CD2 3.23Å; Y41-H45 WeakPolarHBondContact CE2-CD2 3.45Å; Y41-H45 AromaticContact CE2-CG 3.38Å; Y41-H45 AromaticContact CE2-ND1 3.87Å; Y41-H45 AromaticContact CE2-NE2 3.69Å; Y41-H45 HydrophobicContact CG-CB 4.16Å; Y41-H45 AromaticContact CZ-CD2 3.64Å; Y41-H45 AromaticContact CZ-CE1 3.81Å; Y41-H45 AromaticContact CZ-CG 3.95Å; Y41-H45 AromaticContact CZ-NE2 3.55Å; Y41-H45 PolarHBondContact O-ND1 2.67Å; Y41-H45 PolarHBondContact OH-NE2 2.89Å; Y41-A49 VanDerWaalsContact CE2-O 3.28Å; Y41-A49 WeakPolarHBondContact CE2-O 3.43Å; Y41-A49 PolarHBondContact OH-O 2.84Å; Y41-N51 HydrophobicContact CD1-CB 3.72Å; Y41-N51 HydrophobicContact CD2-CB 3.62Å; Y41-N51 HydrophobicContact CE1-CB 3.84Å; Y41-N51 HydrophobicContact CE2-CB 3.71Å; Y41-N51 HydrophobicContact CG-CB 3.61Å
42	N	84.1	Confident	89.9	Confident	39 Å²	39	32 Å²	32	21%	0.209	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-4.1	178.5	-75.1	-36.8	0	0	0	114.7	F38 K279	F38-N42 WeakPolarHBondContact CD1-ND2 3.45Å; F38-N42 WeakPolarHBondContact CD2-ND2 3.46Å; F38-N42 WeakPolarHBondContact CE1-ND2 3.21Å; F38-N42 WeakPolarHBondContact CE2-ND2 3.4Å; F38-N42 WeakPolarHBondContact CG-ND2 3.48Å; F38-N42 WeakPolarHBondContact CZ-ND2 3.36Å; F38-N42 WeakPolarHBondContact O-CB 3.45Å; F38-N42 PolarHBondContact O-N 2.74Å; F38-N42 PolarHBondContact O-ND2 2.95Å; N42-K279 PolarHBondContact O-NZ 3.37Å; N42-K279 VanDerWaalsContact O-NZ 3.14Å
43	T	84.1	Confident	89.1	Confident	67 Å²	67	34 Å²	34	41%	0.411	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-48.6	171.7	-59.4	0	0	0	0	109.9	V39 D40 Y41 G142	V39-T43 WeakPolarHBondContact O-CB 3.43Å; V39-T43 PolarHBondContact O-N 3.19Å; V39-T43 VanDerWaalsContact O-N 3.15Å; V39-T43 PolarHBondContact O-OG1 3.3Å; D40-T43 WeakPolarHBondContact O-CB 3.36Å; D40-T43 PolarHBondContact O-N 3.28Å; D40-T43 VanDerWaalsContact O-N 3.11Å; Y41-T43 PolarHBondContact O-N 3.47Å; Y41-T43 VanDerWaalsContact O-N 3.13Å; T43-G142 WeakPolarHBondContact O-CA 3.39Å
44	S	88.8	Confident	88.1	Confident	10 Å²	10	35.6 Å²	35.6	7%	0.07	20%	0.199	C	C	.	.			trans	-166.8	138.2	167.8	-177.4	0	0	0	0	110.8	R36 D40 Y41 F129 E141	R36-S44 PolarHBondContact NH1-O 3.21Å; R36-S44 PolarHBondContact NH2-O 3.04Å; D40-S44 PolarHBondContact O-N 2.91Å; D40-S44 VanDerWaalsContact O-O 3.11Å; Y41-S44 CarbonylContact O-C 3.53Å; Y41-S44 PolarHBondContact O-N 3.14Å; S44-F129 WeakPolarHBondContact O-CE1 3.09Å; S44-F129 WeakPolarHBondContact O-CZ 3.14Å; S44-F129 WeakPolarHBondContact OG-CZ 3.5Å; S44-E141 WeakPolarHBondContact CA-O 3.45Å; S44-E141 VanDerWaalsContact CB-O 3.3Å; S44-E141 WeakPolarHBondContact CB-O 3.42Å; S44-E141 PolarHBondContact OG-O 2.97Å
45	H	93.8	Very high	87.4	Confident	5 Å²	5	38 Å²	38	2%	0.023	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	165	-179.5	58.5	-80.9	0	0	0	110.5	Y41 F129 C140 E141	Y41-H45 HydrophobicContact CD2-CB 3.4Å; Y41-H45 AromaticContact CD2-CD2 3.84Å; Y41-H45 AromaticContact CD2-CG 3.47Å; Y41-H45 VanDerWaalsContact CD2-CG 3.47Å; Y41-H45 AromaticContact CD2-ND1 3.9Å; Y41-H45 HydrophobicContact CE2-CB 3.76Å; Y41-H45 AromaticContact CE2-CD2 3.23Å; Y41-H45 WeakPolarHBondContact CE2-CD2 3.45Å; Y41-H45 AromaticContact CE2-CG 3.38Å; Y41-H45 AromaticContact CE2-ND1 3.87Å; Y41-H45 AromaticContact CE2-NE2 3.69Å; Y41-H45 HydrophobicContact CG-CB 4.16Å; Y41-H45 AromaticContact CZ-CD2 3.64Å; Y41-H45 AromaticContact CZ-CE1 3.81Å; Y41-H45 AromaticContact CZ-CG 3.95Å; Y41-H45 AromaticContact CZ-NE2 3.55Å; Y41-H45 PolarHBondContact O-ND1 2.67Å; Y41-H45 PolarHBondContact OH-NE2 2.89Å; H45-F129 VanDerWaalsContact C-CE2 3.44Å; H45-F129 VanDerWaalsContact CA-CE2 3.49Å; H45-C140 CarbonylContact O-C 3.52Å; H45-C140 WeakPolarHBondContact O-CA 3.32Å; H45-C140 WeakPolarHBondContact O-CB 3.42Å; H45-E141 IonicContact CE1-OE1 3.53Å; H45-E141 IonicContact CE1-OE2 3.17Å; H45-E141 PolarHBondContact N-O 3.01Å; H45-E141 IonicContact NE2-OE2 3.41Å; H45-E141 PolarHBondContact O-N 2.95Å
46	I	94.7	Very high	86.9	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	138.8	172.6	-49.8	178.1	0	0	0	108.6	L19 L32 A49 Y92 L125 F129 F132 L139	L19-I46 HydrophobicContact CD2-CD1 3.98Å; L32-I46 HydrophobicContact CD2-CB 3.85Å; L32-I46 HydrophobicContact CD2-CG2 3.54Å; I46-A49 WeakPolarHBondContact O-CB 3.41Å; I46-A49 PolarHBondContact O-N 2.91Å; I46-Y92 HydrophobicContact CB-CE1 4.21Å; I46-Y92 HydrophobicContact CD1-CD1 4Å; I46-Y92 HydrophobicContact CD1-CE1 3.75Å; I46-Y92 HydrophobicContact CD1-CE2 4.27Å; I46-Y92 HydrophobicContact CD1-CG 4.36Å; I46-Y92 HydrophobicContact CG1-CE1 4.02Å; I46-Y92 HydrophobicContact CG1-CE2 4.18Å; I46-Y92 PolarHBondContact N-OH 3.43Å; I46-L125 HydrophobicContact CD1-CD2 3.63Å; I46-F129 HydrophobicContact CG1-CD2 3.83Å; I46-F129 HydrophobicContact CG1-CE2 3.96Å; I46-F132 HydrophobicContact CB-CE1 4.28Å; I46-F132 HydrophobicContact CD1-CB 4.27Å; I46-F132 HydrophobicContact CD1-CD1 3.47Å; I46-F132 VanDerWaalsContact CD1-CD1 3.47Å; I46-F132 HydrophobicContact CD1-CD2 4.17Å; I46-F132 HydrophobicContact CD1-CE1 3.78Å; I46-F132 HydrophobicContact CD1-CE2 4.43Å; I46-F132 HydrophobicContact CD1-CG 3.69Å; I46-F132 HydrophobicContact CD1-CZ 4.25Å; I46-F132 HydrophobicContact CG1-CD1 3.59Å; I46-F132 HydrophobicContact CG1-CE1 3.77Å; I46-F132 HydrophobicContact CG1-CG 4.31Å; I46-F132 HydrophobicContact CG2-CD1 4.35Å; I46-F132 HydrophobicContact CG2-CE1 3.62Å; I46-F132 HydrophobicContact CG2-CZ 3.96Å; I46-L139 WeakPolarHBondContact CA-O 3.23Å; I46-L139 WeakPolarHBondContact CG2-O 3.43Å
47	L	90.5	Very high	86.6	Confident	69 Å²	69	50.4 Å²	50.4	36%	0.361	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	144.2	-178.5	-67.8	169	0	0	0	112.5	A49 L139 E141	L47-A49 PolarHBondContact O-N 2.81Å; L47-L139 PolarHBondContact N-O 3.41Å; L47-E141 HydrophobicContact CD2-CB 4.01Å; L47-E141 HydrophobicContact CD2-CG 4.22Å
48	E	87.3	Confident	86.6	Confident	132 Å²	132	49.1 Å²	49.1	62%	0.617	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	8	-176.3	-56.3	-52.2	123.3	0	0	116.6	L27	L27-E48 HydrophobicContact CD1-CG 4.47Å
49	A	93	Very high	87	Confident	2 Å²	2	48.3 Å²	48.3	2%	0.017	26%	0.258	C	S	.	.			trans	-68.1	137.1	178.2	0	0	0	0	0	112.9	L32 D34 Y41 I46 L47 Y92	L32-A49 HydrophobicContact CB-CB 4.49Å; L32-A49 HydrophobicContact CD2-CB 3.99Å; L32-A49 HydrophobicContact CG-CB 3.86Å; L32-A49 WeakPolarHBondContact O-CA 3.38Å; D34-A49 HydrophobicContact CB-CB 4.4Å; Y41-A49 VanDerWaalsContact CE2-O 3.28Å; Y41-A49 WeakPolarHBondContact CE2-O 3.43Å; Y41-A49 PolarHBondContact OH-O 2.84Å; I46-A49 WeakPolarHBondContact O-CB 3.41Å; I46-A49 PolarHBondContact O-N 2.91Å; L47-A49 PolarHBondContact O-N 2.81Å; A49-Y92 HydrophobicContact CB-CE1 3.78Å; A49-Y92 WeakPolarHBondContact CB-OH 3.41Å
50	L	92.2	Very high	87.4	Confident	23 Å²	23	51.7 Å²	51.7	12%	0.12	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	118.3	177.2	-56.8	179.6	0	0	0	111	V31 L32 I33 D34 V52 L73 C76 A77 L81	V31-L50 HydrophobicContact CG1-CD1 4.02Å; L32-L50 PolarHBondContact O-N 2.86Å; I33-L50 WeakPolarHBondContact CA-O 3.33Å; D34-L50 PolarHBondContact N-O 3.11Å; L50-V52 PolarHBondContact O-N 2.71Å; L50-L73 HydrophobicContact CD1-CD2 4.15Å; L50-C76 HydrophobicContact CB-CB 4.32Å; L50-A77 HydrophobicContact CD2-CB 4.29Å; L50-L81 HydrophobicContact CD1-CD2 3.72Å
51	N	92.7	Very high	87.6	Confident	19 Å²	19	54.2 Å²	54.2	10%	0.102	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	115.1	174.8	-170.9	-125.8	0	0	0	112.4	D34 R36 Y41 N53 C76	D34-N51 WeakPolarHBondContact O-CA 3.32Å; D34-N51 PolarHBondContact O-ND2 2.82Å; D34-N51 VanDerWaalsContact O-ND2 3.12Å; R36-N51 PolarHBondContact O-ND2 3.46Å; Y41-N51 HydrophobicContact CD1-CB 3.72Å; Y41-N51 HydrophobicContact CD2-CB 3.62Å; Y41-N51 HydrophobicContact CE1-CB 3.84Å; Y41-N51 HydrophobicContact CE2-CB 3.71Å; Y41-N51 HydrophobicContact CG-CB 3.61Å; N51-N53 WeakPolarHBondContact OD1-CB 3.43Å; N51-C76 PolarHBondContact O-SG 2.89Å
52	V	89.9	Confident	87.7	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.024	26%	0.264	C	S	.	.			trans	-101.1	-1.5	-179.6	-173.6	0	0	0	0	112.1	I33 D34 L50 L72 L73 F107 L111	I33-V52 HydrophobicContact CG2-CB 4.15Å; I33-V52 HydrophobicContact CG2-CG2 3.61Å; D34-V52 PolarHBondContact O-N 2.88Å; L50-V52 PolarHBondContact O-N 2.71Å; V52-L72 HydrophobicContact CG1-CD2 3.57Å; V52-L72 HydrophobicContact CG1-CG 3.92Å; V52-L73 HydrophobicContact CG2-CD2 3.86Å; V52-F107 HydrophobicContact CG1-CZ 4.22Å; V52-L111 HydrophobicContact CG1-CD1 4.16Å
53	N	79	Confident	88	Confident	51 Å²	51	55.2 Å²	55.2	27%	0.273	27%	0.272	S	S	.	.			trans	44.7	91.4	164.4	-169.8	10	0	0	0	116	F38 N51 S55	F38-N53 PolarHBondContact N-OD1 3.03Å; N51-N53 WeakPolarHBondContact OD1-CB 3.43Å; N53-S55 VanDerWaalsContact C-N 3.26Å; N53-S55 PolarHBondContact O-N 3.44Å
54	G	74.4	Confident	88.4	Confident	33 Å²	33	56.7 Å²	56.7	34%	0.34	27%	0.274	S	S	.	.			trans	-64.1	56.1	-172.1	0	0	0	0	0	119.2	S35 F107	S35-G54 PolarHBondContact O-N 3.4Å; G54-F107 VanDerWaalsContact CA-CG 3.41Å
55	S	80.9	Confident	88.4	Confident	51 Å²	51	59.8 Å²	59.8	36%	0.357	29%	0.29	S	S	.	.			trans	-74.8	146.5	176.1	73.9	0	0	0	0	112.9	N53 L57 M58 K59	N53-S55 VanDerWaalsContact C-N 3.26Å; N53-S55 PolarHBondContact O-N 3.44Å; S55-L57 PolarHBondContact O-N 2.98Å; S55-L57 VanDerWaalsContact O-N 3.16Å; S55-M58 PolarHBondContact O-N 3.29Å; S55-M58 VanDerWaalsContact OG-CB 3.32Å; S55-M58 WeakPolarHBondContact OG-CB 3.49Å; S55-M58 PolarHBondContact OG-N 2.67Å; S55-M58 VanDerWaalsContact OG-N 3.12Å; S55-K59 PolarHBondContact O-N 3.11Å
56	K	84.4	Confident	88.2	Confident	193 Å²	193	66.4 Å²	66.4	84%	0.839	32%	0.318	S	S	*	.	H	α-helix	trans	-55.9	-32.3	175	-64.8	-175.9	-179.4	-178.9	0	112.8	R60	K56-R60 WeakPolarHBondContact O-CB 3.35Å; K56-R60 PolarHBondContact O-N 3.35Å; K56-R60 VanDerWaalsContact O-N 3.16Å
57	L	84.8	Confident	87.8	Confident	86 Å²	86	67.2 Å²	67.2	45%	0.45	32%	0.323	S	S	.	.	H	α-helix	trans	-71.4	-43.3	176.4	-179.3	60.3	0	0	0	111.9	S55 R60 R61	S55-L57 PolarHBondContact O-N 2.98Å; S55-L57 VanDerWaalsContact O-N 3.16Å; L57-R60 PolarHBondContact O-N 3.46Å; L57-R61 WeakPolarHBondContact O-CG 3.49Å; L57-R61 PolarHBondContact O-N 3.48Å
58	M	86.8	Confident	87.7	Confident	44 Å²	44	68.4 Å²	68.4	22%	0.217	33%	0.327	C	S	.	.	H	α-helix	trans	-66.1	-45.5	177.4	-167.8	61.1	78.9	0	0	110.9	S55 R60 R61 L62 L72 F107	S55-M58 PolarHBondContact O-N 3.29Å; S55-M58 VanDerWaalsContact OG-CB 3.32Å; S55-M58 WeakPolarHBondContact OG-CB 3.49Å; S55-M58 PolarHBondContact OG-N 2.67Å; S55-M58 VanDerWaalsContact OG-N 3.12Å; M58-R60 VanDerWaalsContact C-N 3.3Å; M58-R60 PolarHBondContact O-N 3.44Å; M58-R61 PolarHBondContact O-N 2.81Å; M58-L62 HydrophobicContact CG-CD1 4.16Å; M58-L62 HydrophobicContact CG-CG 4.45Å; M58-L62 PolarHBondContact O-N 3.24Å; M58-L72 HydrophobicContact CE-CD1 3.58Å; M58-L72 HydrophobicContact CE-CD2 4.47Å; M58-L72 HydrophobicContact CG-CD2 4.09Å; M58-L72 HydrophobicContact SD-CD1 4Å; M58-L72 HydrophobicContact SD-CD2 3.88Å; M58-F107 HydrophobicContact CB-CE2 4.5Å; M58-F107 HydrophobicContact CG-CE2 4.36Å
59	K	90.6	Very high	87.8	Confident	30 Å²	30	62.4 Å²	62.4	13%	0.13	30%	0.299	C	S	.	.	H	α-helix	trans	-51.2	-49.9	173.2	-163.9	-171.9	63.7	158.4	0	111.5	S55 R61 L62 Q63 D105 F107 V110	S55-K59 PolarHBondContact O-N 3.11Å; K59-R61 PolarHBondContact O-N 2.87Å; K59-L62 PolarHBondContact O-N 3.49Å; K59-Q63 HydrophobicContact CG-CG 4.45Å; K59-Q63 WeakPolarHBondContact O-CB 3.34Å; K59-Q63 VanDerWaalsContact O-CG 3.3Å; K59-Q63 WeakPolarHBondContact O-CG 3.17Å; K59-Q63 PolarHBondContact O-N 3.47Å; K59-D105 WeakPolarHBondContact CD-O 3.48Å; K59-D105 PolarHBondContact NZ-O 3.3Å; K59-D105 IonicContact NZ-OD1 1.78Å; K59-D105 PolarHBondContact NZ-OD1 2.84Å; K59-D105 IonicContact NZ-OD2 3.85Å; K59-D105 PolarHBondContact NZ-OD2 3.48Å; K59-F107 HydrophobicContact CB-CD2 3.97Å; K59-F107 HydrophobicContact CG-CD2 4.28Å; K59-V110 HydrophobicContact CD-CG2 4.1Å; K59-V110 HydrophobicContact CG-CB 4.02Å; K59-V110 HydrophobicContact CG-CG1 4Å; K59-V110 HydrophobicContact CG-CG2 3.88Å
60	R	89.8	Confident	87.5	Confident	139 Å²	139	64.7 Å²	64.7	53%	0.525	31%	0.313	S	S	.	.	H	α-helix	trans	-64	-35.6	178.9	-173	175.9	67	169.2	0.1	112.9	K56 L57 M58 Q64	K56-R60 WeakPolarHBondContact O-CB 3.35Å; K56-R60 PolarHBondContact O-N 3.35Å; K56-R60 VanDerWaalsContact O-N 3.16Å; L57-R60 PolarHBondContact O-N 3.46Å; M58-R60 VanDerWaalsContact C-N 3.3Å; M58-R60 PolarHBondContact O-N 3.44Å; R60-Q64 VanDerWaalsContact O-CB 3.31Å; R60-Q64 WeakPolarHBondContact O-CB 3.43Å; R60-Q64 WeakPolarHBondContact O-CG 3.46Å; R60-Q64 PolarHBondContact O-N 3.5Å; R60-Q64 VanDerWaalsContact O-N 3.1Å
61	R	89.2	Confident	87.2	Confident	121 Å²	121	67.7 Å²	67.7	46%	0.457	33%	0.326	S	S	.	.	H	α-helix	trans	-69.9	-43.5	176.5	-77.2	-178.3	174.3	-154	-1	112	L57 M58 K59 Q64 D65 K66 V67	L57-R61 WeakPolarHBondContact O-CG 3.49Å; L57-R61 PolarHBondContact O-N 3.48Å; M58-R61 PolarHBondContact O-N 2.81Å; K59-R61 PolarHBondContact O-N 2.87Å; R61-Q64 CarbonylContact O-C 3.6Å; R61-Q64 PolarHBondContact O-N 3.31Å; R61-D65 PolarHBondContact O-N 2.81Å; R61-D65 VanDerWaalsContact O-N 3.13Å; R61-K66 HydrophobicContact CB-CB 4.48Å; R61-K66 PolarHBondContact O-N 3.02Å; R61-V67 HydrophobicContact CB-CB 4.48Å; R61-V67 HydrophobicContact CB-CG2 4.02Å; R61-V67 HydrophobicContact CG-CG2 4.47Å
62	L	90	Very high	87	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-62.7	-47.6	173.4	-71.7	171.2	0	0	0	111.3	M58 K59 Q64 D65 I69 L72 F107 V110 K114	M58-L62 HydrophobicContact CG-CD1 4.16Å; M58-L62 HydrophobicContact CG-CG 4.45Å; M58-L62 PolarHBondContact O-N 3.24Å; K59-L62 PolarHBondContact O-N 3.49Å; L62-Q64 PolarHBondContact O-N 3.06Å; L62-D65 PolarHBondContact O-N 3.32Å; L62-D65 VanDerWaalsContact O-N 3.08Å; L62-I69 HydrophobicContact CD2-CD1 4.43Å; L62-L72 HydrophobicContact CD1-CD2 4.08Å; L62-L72 HydrophobicContact CD2-CD2 3.99Å; L62-L72 HydrophobicContact CG-CD2 4.35Å; L62-F107 HydrophobicContact CD1-CE2 4.02Å; L62-V110 HydrophobicContact CB-CG1 3.97Å; L62-K114 VanDerWaalsContact O-CE 3.27Å; L62-K114 WeakPolarHBondContact O-CE 3.49Å; L62-K114 PolarHBondContact O-NZ 3.02Å
63	Q	91	Very high	86.9	Confident	80 Å²	80	67.1 Å²	67.1	37%	0.374	32%	0.323	S	S	.	.	H	α-helix	trans	-56.8	-34.6	175	-77.8	172.3	-40.6	0	0	112.7	K59 D105 V110	K59-Q63 HydrophobicContact CG-CG 4.45Å; K59-Q63 WeakPolarHBondContact O-CB 3.34Å; K59-Q63 VanDerWaalsContact O-CG 3.3Å; K59-Q63 WeakPolarHBondContact O-CG 3.17Å; K59-Q63 PolarHBondContact O-N 3.47Å; Q63-D105 PolarHBondContact NE2-OD1 3.32Å; Q63-V110 HydrophobicContact CG-CB 4.48Å; Q63-V110 HydrophobicContact CG-CG1 3.81Å; Q63-V110 HydrophobicContact CG-CG2 3.76Å
64	Q	91.9	Very high	87.1	Confident	98 Å²	98	69.8 Å²	69.8	46%	0.458	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	6.2	179.2	-67.6	179.2	0.8	0	0	114.3	R60 R61 L62 K66	R60-Q64 VanDerWaalsContact O-CB 3.31Å; R60-Q64 WeakPolarHBondContact O-CB 3.43Å; R60-Q64 WeakPolarHBondContact O-CG 3.46Å; R60-Q64 PolarHBondContact O-N 3.5Å; R60-Q64 VanDerWaalsContact O-N 3.1Å; R61-Q64 CarbonylContact O-C 3.6Å; R61-Q64 PolarHBondContact O-N 3.31Å; L62-Q64 PolarHBondContact O-N 3.06Å; Q64-K66 HydrophobicContact CB-CD 3.99Å; Q64-K66 HydrophobicContact CB-CG 4.01Å; Q64-K66 PolarHBondContact O-N 3.38Å; Q64-K66 VanDerWaalsContact O-N 3.11Å
65	D	89	Confident	87.4	Confident	74 Å²	74	74.9 Å²	74.9	40%	0.396	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	29.9	-176.2	-69.5	-72.8	0	0	0	113.8	R61 L62 K114	R61-D65 PolarHBondContact O-N 2.81Å; R61-D65 VanDerWaalsContact O-N 3.13Å; L62-D65 PolarHBondContact O-N 3.32Å; L62-D65 VanDerWaalsContact O-N 3.08Å; D65-K114 IonicContact OD1-NZ 2.7Å; D65-K114 PolarHBondContact OD1-NZ 3.38Å; D65-K114 IonicContact OD2-NZ 3.07Å; D65-K114 PolarHBondContact OD2-NZ 3.46Å
66	K	89.4	Confident	87.4	Confident	144 Å²	144	74.1 Å²	74.1	63%	0.626	34%	0.343	S	S	*	.	S	Bend	trans	-89.3	-3	-179.5	-75.3	179.1	179.4	168.6	0	114.5	R61 Q64	R61-K66 HydrophobicContact CB-CB 4.48Å; R61-K66 PolarHBondContact O-N 3.02Å; Q64-K66 HydrophobicContact CB-CD 3.99Å; Q64-K66 HydrophobicContact CB-CG 4.01Å; Q64-K66 PolarHBondContact O-N 3.38Å; Q64-K66 VanDerWaalsContact O-N 3.11Å
67	V	87.6	Confident	87.1	Confident	18 Å²	18	65.9 Å²	65.9	11%	0.109	31%	0.311	C	S	.	.	S	Bend	trans	-145.4	129.6	172.1	171.6	0	0	0	0	104.6	R61 L72	R61-V67 HydrophobicContact CB-CB 4.48Å; R61-V67 HydrophobicContact CB-CG2 4.02Å; R61-V67 HydrophobicContact CG-CG2 4.47Å; V67-L72 HydrophobicContact CG1-CB 3.95Å
68	Q	88.8	Confident	85.8	Confident	95 Å²	95	70.6 Å²	70.6	44%	0.444	32%	0.323	S	S	.	.			trans	-80.9	148.7	177	-65.4	-58.7	-32.6	0	0	110.5	T70 E71 L72	Q68-T70 VanDerWaalsContact C-N 3.32Å; Q68-T70 PolarHBondContact O-N 3.03Å; Q68-E71 HydrophobicContact CB-CB 4.04Å; Q68-E71 PolarHBondContact N-OE2 2.82Å; Q68-E71 PolarHBondContact O-N 2.91Å; Q68-L72 WeakPolarHBondContact O-CB 3.41Å; Q68-L72 PolarHBondContact O-N 2.86Å
69	I	89.4	Confident	84.5	Confident	5 Å²	5	72.9 Å²	72.9	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-68	-34.3	-176.7	-172.4	56.3	0	0	0	112	L62 L72 L73 L111 K114 L115 S118	L62-I69 HydrophobicContact CD2-CD1 4.43Å; I69-L72 HydrophobicContact CD1-CD2 4.3Å; I69-L72 PolarHBondContact O-N 3.06Å; I69-L73 HydrophobicContact CG1-CD1 4.41Å; I69-L73 VanDerWaalsContact O-CG 3.3Å; I69-L73 WeakPolarHBondContact O-CG 3.47Å; I69-L73 PolarHBondContact O-N 3.31Å; I69-L111 HydrophobicContact CD1-CD1 3.6Å; I69-K114 HydrophobicContact CB-CB 4.36Å; I69-L115 HydrophobicContact CD1-CD2 4.03Å; I69-L115 HydrophobicContact CD1-CG 4.33Å; I69-L115 HydrophobicContact CG1-CD2 3.5Å; I69-L115 VanDerWaalsContact CG1-CD2 3.5Å; I69-L115 HydrophobicContact CG1-CG 3.96Å; I69-S118 VanDerWaalsContact CG2-OG 3.28Å; I69-S118 WeakPolarHBondContact CG2-OG 3.42Å
70	T	86.3	Confident	82.9	Confident	51 Å²	51	80.6 Å²	80.6	31%	0.313	38%	0.379	S	S	.	.	H	α-helix	trans	-66.9	-45.3	174.4	48.3	0	0	0	0	112.2	Q68 L72 L73 Q74 L83 F119	Q68-T70 VanDerWaalsContact C-N 3.32Å; Q68-T70 PolarHBondContact O-N 3.03Å; T70-L72 VanDerWaalsContact C-N 3.32Å; T70-L72 PolarHBondContact O-N 2.87Å; T70-L73 PolarHBondContact O-N 3.34Å; T70-Q74 WeakPolarHBondContact O-CB 3.28Å; T70-Q74 VanDerWaalsContact O-CG 3.31Å; T70-Q74 WeakPolarHBondContact O-CG 3.1Å; T70-Q74 PolarHBondContact O-N 2.85Å; T70-L83 HydrophobicContact CG2-CD1 4.08Å; T70-F119 HydrophobicContact CG2-CZ 4.46Å
71	E	85.8	Confident	81.8	Confident	85 Å²	85	76.1 Å²	76.1	40%	0.397	37%	0.366	S	S	.	.	H	α-helix	trans	-57.6	-43.2	172.5	176.3	-170.4	-156.1	0	0	111.5	Q68 Q74 H75	Q68-E71 HydrophobicContact CB-CB 4.04Å; Q68-E71 PolarHBondContact N-OE2 2.82Å; Q68-E71 PolarHBondContact O-N 2.91Å; E71-Q74 PolarHBondContact O-N 2.94Å; E71-H75 PolarHBondContact O-CD2 3.45Å; E71-H75 VanDerWaalsContact O-CD2 3.31Å; E71-H75 PolarHBondContact O-N 2.78Å
72	L	87.5	Confident	80.7	Confident	12 Å²	12	77.1 Å²	77.1	6%	0.063	38%	0.376	C	S	.	.	H	α-helix	trans	-64.1	-45.5	176.8	-179.6	55.2	0	0	0	112.1	V52 M58 L62 V67 Q68 I69 T70 H75 C76	V52-L72 HydrophobicContact CG1-CD2 3.57Å; V52-L72 HydrophobicContact CG1-CG 3.92Å; M58-L72 HydrophobicContact CE-CD1 3.58Å; M58-L72 HydrophobicContact CE-CD2 4.47Å; M58-L72 HydrophobicContact CG-CD2 4.09Å; M58-L72 HydrophobicContact SD-CD1 4Å; M58-L72 HydrophobicContact SD-CD2 3.88Å; L62-L72 HydrophobicContact CD1-CD2 4.08Å; L62-L72 HydrophobicContact CD2-CD2 3.99Å; L62-L72 HydrophobicContact CG-CD2 4.35Å; V67-L72 HydrophobicContact CG1-CB 3.95Å; Q68-L72 WeakPolarHBondContact O-CB 3.41Å; Q68-L72 PolarHBondContact O-N 2.86Å; I69-L72 HydrophobicContact CD1-CD2 4.3Å; I69-L72 PolarHBondContact O-N 3.06Å; T70-L72 VanDerWaalsContact C-N 3.32Å; T70-L72 PolarHBondContact O-N 2.87Å; L72-H75 PolarHBondContact O-N 3.19Å; L72-C76 PolarHBondContact O-N 3.05Å; L72-C76 PolarHBondContact O-SG 2.77Å; L72-C76 VanDerWaalsContact O-SG 3.37Å
73	L	88	Confident	79.8	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-65.5	-40.4	177.5	-70.6	171.9	0	0	0	112.3	I33 L50 V52 I69 T70 H75 C76 A77 L83 L115 F119	I33-L73 HydrophobicContact CD1-CD1 4.28Å; I33-L73 HydrophobicContact CD1-CD2 3.6Å; I33-L73 HydrophobicContact CG1-CD2 3.91Å; L50-L73 HydrophobicContact CD1-CD2 4.15Å; V52-L73 HydrophobicContact CG2-CD2 3.86Å; I69-L73 HydrophobicContact CG1-CD1 4.41Å; I69-L73 VanDerWaalsContact O-CG 3.3Å; I69-L73 WeakPolarHBondContact O-CG 3.47Å; I69-L73 PolarHBondContact O-N 3.31Å; T70-L73 PolarHBondContact O-N 3.34Å; L73-H75 PolarHBondContact O-N 3.18Å; L73-C76 PolarHBondContact O-N 2.93Å; L73-A77 PolarHBondContact O-N 2.77Å; L73-L83 HydrophobicContact CB-CD1 3.99Å; L73-L83 HydrophobicContact CD1-CD1 4.41Å; L73-L83 HydrophobicContact CD1-CD2 4.43Å; L73-L115 HydrophobicContact CD1-CD2 3.95Å; L73-F119 HydrophobicContact CD1-CE2 3.88Å; L73-F119 HydrophobicContact CD1-CZ 3.86Å
74	Q	84.4	Confident	78.7	Confident	106 Å²	106	79.8 Å²	79.8	50%	0.495	39%	0.389	S	S	.	.	H	α-helix	trans	-62.4	-30.4	173.3	-74.4	172.4	-15.9	0	0	112.7	T70 E71 L83	T70-Q74 WeakPolarHBondContact O-CB 3.28Å; T70-Q74 VanDerWaalsContact O-CG 3.31Å; T70-Q74 WeakPolarHBondContact O-CG 3.1Å; T70-Q74 PolarHBondContact O-N 2.85Å; E71-Q74 PolarHBondContact O-N 2.94Å; Q74-L83 HydrophobicContact CG-CD1 4.01Å
75	H	80.6	Confident	77.4	Confident	141 Å²	141	78 Å²	78	65%	0.653	40%	0.397	S	S	*	.	H	α-helix	trans	-81.3	-18	172.1	-76	-38.9	0	0	0	114.6	E71 L72 L73	E71-H75 PolarHBondContact O-CD2 3.45Å; E71-H75 VanDerWaalsContact O-CD2 3.31Å; E71-H75 PolarHBondContact O-N 2.78Å; L72-H75 PolarHBondContact O-N 3.19Å; L73-H75 PolarHBondContact O-N 3.18Å
76	C	81.2	Confident	76.9	Confident	35 Å²	35	79.1 Å²	79.1	24%	0.236	40%	0.403	C	S	.	.	H	α-helix	trans	-87.8	-21.8	173.5	-72.5	0	0	0	0	113.1	L50 N51 L72 L73	L50-C76 HydrophobicContact CB-CB 4.32Å; N51-C76 PolarHBondContact O-SG 2.89Å; L72-C76 PolarHBondContact O-N 3.05Å; L72-C76 PolarHBondContact O-SG 2.77Å; L72-C76 VanDerWaalsContact O-SG 3.37Å; L73-C76 PolarHBondContact O-N 2.93Å
77	A	77.4	Confident	76.7	Confident	19 Å²	19	72.9 Å²	72.9	16%	0.157	38%	0.376	C	S	.	.			trans	-70.9	140.5	178	0	0	0	0	0	112.6	L50 L73 S79 L81	L50-A77 HydrophobicContact CD2-CB 4.29Å; L73-A77 PolarHBondContact O-N 2.77Å; A77-S79 VanDerWaalsContact C-N 3.29Å; A77-S79 WeakPolarHBondContact CB-O 3.15Å; A77-L81 HydrophobicContact CB-CB 3.71Å; A77-L81 HydrophobicContact CB-CD2 4.21Å
78	R	57.8	Low	76.8	Confident	186 Å²	186	74.1 Å²	74.1	70%	0.702	38%	0.38	S	S	*	.	S	Bend	trans	-78.3	-13	173.9	-63.7	-176.8	-176.7	162.5	3.3	113.1
79	S	58.9	Low	77.1	Confident	91 Å²	91	69.6 Å²	69.6	64%	0.636	36%	0.359	S	S	*	.	S	Bend	trans	-133.6	175.7	-177.9	59.3	0	0	0	0	110.5	A77 L81	A77-S79 VanDerWaalsContact C-N 3.29Å; A77-S79 WeakPolarHBondContact CB-O 3.15Å; S79-L81 VanDerWaalsContact C-N 3.34Å; S79-L81 PolarHBondContact O-N 2.76Å
80	Q	57.1	Low	77.4	Confident	193 Å²	193	69.3 Å²	69.3	90%	0.902	36%	0.358	S	S	*	.			trans	-71.5	91	170.5	-76.5	-164.6	-13.3	0	0	110.4	E82	Q80-E82 PolarHBondContact O-N 3.39Å; Q80-E82 VanDerWaalsContact O-N 3.16Å
81	L	66.8	Low	77.9	Confident	45 Å²	45	66.9 Å²	66.9	24%	0.236	34%	0.343	C	S	.	.			trans	-73.5	100.1	172.2	-176.7	64	0	0	0	110	L50 A77 S79 L83	L50-L81 HydrophobicContact CD1-CD2 3.72Å; A77-L81 HydrophobicContact CB-CB 3.71Å; A77-L81 HydrophobicContact CB-CD2 4.21Å; S79-L81 VanDerWaalsContact C-N 3.34Å; S79-L81 PolarHBondContact O-N 2.76Å; L81-L83 VanDerWaalsContact C-N 3.35Å; L81-L83 HydrophobicContact CD2-CD2 3.52Å; L81-L83 HydrophobicContact CD2-CG 4.15Å; L81-L83 HydrophobicContact CG-CD2 3.79Å; L81-L83 HydrophobicContact CG-CG 4.09Å; L81-L83 PolarHBondContact O-N 2.82Å
82	E	66.3	Low	78.4	Confident	142 Å²	142	62.9 Å²	62.9	66%	0.664	32%	0.324	S	S	*	.			trans	-68	95	163.7	-70.5	-163.1	163.3	0	0	109	Q80 Q84 Q87	Q80-E82 PolarHBondContact O-N 3.39Å; Q80-E82 VanDerWaalsContact O-N 3.16Å; E82-Q84 PolarHBondContact O-N 2.99Å; E82-Q84 VanDerWaalsContact O-N 3.09Å; E82-Q87 PolarHBondContact O-NE2 3.01Å
83	L	70.4	Confident	78.8	Confident	36 Å²	36	63.6 Å²	63.6	19%	0.188	33%	0.328	C	S	.	.			trans	-69.5	101.3	173.1	-68.7	170.9	0	0	0	109.2	V31 T70 L73 Q74 L81 F119	V31-L83 HydrophobicContact CG2-CD2 4.03Å; T70-L83 HydrophobicContact CG2-CD1 4.08Å; L73-L83 HydrophobicContact CB-CD1 3.99Å; L73-L83 HydrophobicContact CD1-CD1 4.41Å; L73-L83 HydrophobicContact CD1-CD2 4.43Å; Q74-L83 HydrophobicContact CG-CD1 4.01Å; L81-L83 VanDerWaalsContact C-N 3.35Å; L81-L83 HydrophobicContact CD2-CD2 3.52Å; L81-L83 HydrophobicContact CD2-CG 4.15Å; L81-L83 HydrophobicContact CG-CD2 3.79Å; L81-L83 HydrophobicContact CG-CG 4.09Å; L81-L83 PolarHBondContact O-N 2.82Å; L83-F119 HydrophobicContact CB-CE1 4.48Å; L83-F119 HydrophobicContact CD1-CZ 4.31Å; L83-F119 HydrophobicContact CD2-CE1 4.15Å; L83-F119 HydrophobicContact CD2-CZ 3.99Å
84	Q	68.8	Low	79.1	Confident	100 Å²	100	67.2 Å²	67.2	47%	0.467	35%	0.345	S	S	.	.			trans	-92.1	145.7	178.6	-57.8	-162.9	11.8	0	0	110.7	E82 D86 Q87	E82-Q84 PolarHBondContact O-N 2.99Å; E82-Q84 VanDerWaalsContact O-N 3.09Å; Q84-D86 WeakPolarHBondContact CB-OD1 3.46Å; Q84-D86 PolarHBondContact O-N 3.28Å; Q84-D86 VanDerWaalsContact O-N 3.08Å; Q84-Q87 HydrophobicContact CB-CG 4.3Å; Q84-Q87 PolarHBondContact O-N 2.84Å
85	G	64.8	Low	79.6	Confident	61 Å²	61	67.4 Å²	67.4	63%	0.629	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-0.5	-168.8	0	0	0	0	0	115.7	P120	G85-P120 WeakPolarHBondContact O-CD 3.37Å; G85-P120 VanDerWaalsContact O-CG 3.24Å; G85-P120 WeakPolarHBondContact O-CG 3.34Å
86	D	77.2	Confident	80.3	Confident	96 Å²	96	61.8 Å²	61.8	51%	0.513	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	1.1	-179.3	67.6	-44.9	0	0	0	113.6	Q84	Q84-D86 WeakPolarHBondContact CB-OD1 3.46Å; Q84-D86 PolarHBondContact O-N 3.28Å; Q84-D86 VanDerWaalsContact O-N 3.08Å
87	Q	85.1	Confident	80.9	Confident	14 Å²	14	63 Å²	63	7%	0.065	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-66.8	143.9	176	-72.1	172.8	-36.2	0	0	112	D28 R29 V31 E82 Q84	D28-Q87 PolarHBondContact O-NE2 3.26Å; R29-Q87 WeakPolarHBondContact O-CA 3.26Å; V31-Q87 HydrophobicContact CG2-CB 4.17Å; E82-Q87 PolarHBondContact O-NE2 3.01Å; Q84-Q87 HydrophobicContact CB-CG 4.3Å; Q84-Q87 PolarHBondContact O-N 2.84Å
88	E	90.8	Very high	81.6	Confident	43 Å²	43	65.6 Å²	65.6	20%	0.201	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	123.7	172.8	-60.6	-147.2	-130.1	0	0	110.4	R29 V30 V31 S121 H123	R29-E88 PolarHBondContact O-N 3.08Å; V30-E88 CarbonylContact C-O 3.58Å; V30-E88 WeakPolarHBondContact CA-O 3.46Å; V31-E88 PolarHBondContact N-O 3.08Å; E88-S121 PolarHBondContact OE2-OG 3.34Å; E88-H123 IonicContact OE1-NE2 2.63Å; E88-H123 IonicContact OE2-CD2 2.99Å; E88-H123 IonicContact OE2-CE1 2.66Å; E88-H123 CovalentContact OE2-NE2 1.78Å; E88-H123 IonicContact OE2-NE2 2.71Å; E88-H123 PolarHBondContact OE2-NE2 3.09Å
89	V	94.1	Very high	83.2	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	125.9	178.9	-176.2	0	0	0	0	109.6	V31 I33 V91 L115 F119 S121 V122 H123	V31-V89 HydrophobicContact CB-CG2 4.31Å; V31-V89 WeakPolarHBondContact O-CA 3.49Å; I33-V89 HydrophobicContact CD1-CG1 3.49Å; I33-V89 VanDerWaalsContact CD1-CG1 3.49Å; I33-V89 HydrophobicContact CG1-CG1 4.36Å; V89-V91 HydrophobicContact CG1-CG2 4.16Å; V89-L115 HydrophobicContact CG1-CD1 4.09Å; V89-L115 HydrophobicContact CG1-CD2 4.11Å; V89-F119 HydrophobicContact CG2-CB 3.64Å; V89-F119 HydrophobicContact CG2-CD1 3.58Å; V89-F119 HydrophobicContact CG2-CD2 3.74Å; V89-F119 HydrophobicContact CG2-CE1 4.13Å; V89-F119 HydrophobicContact CG2-CE2 4.28Å; V89-F119 HydrophobicContact CG2-CG 3.36Å; V89-F119 HydrophobicContact CG2-CZ 4.45Å; V89-S121 PolarHBondContact N-O 3.07Å; V89-V122 HydrophobicContact CB-CG2 4.33Å; V89-V122 CarbonylContact O-C 3.52Å; V89-V122 WeakPolarHBondContact O-CA 3.17Å; V89-H123 PolarHBondContact O-N 3Å
90	V	96.3	Very high	84.7	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.6	172.7	-175.9	0	0	0	0	109	I14 L19 L22 V30 V31 L32 I33 H123 L125	I14-V90 HydrophobicContact CG2-CG1 3.87Å; L19-V90 HydrophobicContact CD1-CB 4.26Å; L19-V90 HydrophobicContact CD1-CG1 4.17Å; L19-V90 HydrophobicContact CD1-CG2 4.13Å; L19-V90 HydrophobicContact CD2-CG1 4.37Å; L22-V90 HydrophobicContact CD1-CG2 4.13Å; V30-V90 HydrophobicContact CG1-CG2 4.41Å; V31-V90 PolarHBondContact O-N 3.5Å; L32-V90 CarbonylContact C-O 3.45Å; L32-V90 WeakPolarHBondContact CA-O 3.23Å; L32-V90 HydrophobicContact CD1-CB 3.96Å; L32-V90 HydrophobicContact CD1-CG1 4.09Å; I33-V90 PolarHBondContact N-O 3.5Å; V90-H123 HydrophobicContact CG2-CB 4.35Å; V90-L125 HydrophobicContact CG1-CB 4.2Å
91	V	96.9	Very high	86.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	142.1	177.6	-168.3	0	0	0	0	109.3	I33 V89 L108 L111 L112 L115 H123 L124 L125	I33-V91 HydrophobicContact CB-CG1 4.37Å; I33-V91 HydrophobicContact CB-CG2 4.3Å; I33-V91 HydrophobicContact CD1-CG2 4.3Å; I33-V91 HydrophobicContact CG2-CG1 4.15Å; I33-V91 WeakPolarHBondContact O-CA 3.45Å; V89-V91 HydrophobicContact CG1-CG2 4.16Å; V91-L108 HydrophobicContact CB-CD1 4.48Å; V91-L108 HydrophobicContact CG1-CD1 3.56Å; V91-L111 HydrophobicContact CG1-CD2 3.93Å; V91-L112 HydrophobicContact CB-CD2 4.03Å; V91-L112 HydrophobicContact CG2-CD2 3.78Å; V91-L115 HydrophobicContact CG2-CD1 3.41Å; V91-L115 VanDerWaalsContact CG2-CD1 3.41Å; V91-H123 PolarHBondContact N-O 3.06Å; V91-L124 CarbonylContact O-C 3.58Å; V91-L124 WeakPolarHBondContact O-CA 3.47Å; V91-L125 PolarHBondContact O-N 2.97Å
92	Y	96.9	Very high	87.4	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	154.9	170.1	67	-88.1	0	0	0	112.6	L32 I33 D34 S35 I46 A49 L125 F129	L32-Y92 HydrophobicContact CD1-CD1 3.86Å; L32-Y92 HydrophobicContact CD1-CE1 3.89Å; L32-Y92 HydrophobicContact CD2-CE1 4.42Å; L32-Y92 HydrophobicContact CG-CD1 4.43Å; L32-Y92 HydrophobicContact CG-CE1 3.96Å; I33-Y92 VanDerWaalsContact O-CD1 3.25Å; I33-Y92 WeakPolarHBondContact O-CD1 3.19Å; I33-Y92 PolarHBondContact O-N 2.87Å; D34-Y92 HydrophobicContact CB-CE1 4.01Å; D34-Y92 HydrophobicContact CB-CE2 3.89Å; D34-Y92 WeakPolarHBondContact OD2-CE2 3.05Å; D34-Y92 PolarHBondContact OD2-OH 2.79Å; S35-Y92 WeakPolarHBondContact CB-O 3.31Å; S35-Y92 PolarHBondContact N-O 3.13Å; S35-Y92 PolarHBondContact OG-O 2.9Å; I46-Y92 HydrophobicContact CB-CE1 4.21Å; I46-Y92 HydrophobicContact CD1-CD1 4Å; I46-Y92 HydrophobicContact CD1-CE1 3.75Å; I46-Y92 HydrophobicContact CD1-CE2 4.27Å; I46-Y92 HydrophobicContact CD1-CG 4.36Å; I46-Y92 HydrophobicContact CG1-CE1 4.02Å; I46-Y92 HydrophobicContact CG1-CE2 4.18Å; I46-Y92 PolarHBondContact N-OH 3.43Å; A49-Y92 HydrophobicContact CB-CE1 3.78Å; A49-Y92 WeakPolarHBondContact CB-OH 3.41Å; Y92-L125 HydrophobicContact CD1-CD2 4.47Å; Y92-L125 HydrophobicContact CG-CD2 4.18Å; Y92-F129 HydrophobicContact CD2-CB 3.9Å; Y92-F129 HydrophobicContact CD2-CD2 4.49Å; Y92-F129 HydrophobicContact CE2-CB 3.93Å; Y92-F129 AromaticContact CE2-CD2 3.82Å; Y92-F129 HydrophobicContact CE2-CD2 3.82Å; Y92-F129 HydrophobicContact CE2-CG 4.24Å
93	D	94.8	Very high	88.5	Confident	28 Å²	28	46.9 Å²	46.9	15%	0.15	30%	0.299	C	S	.	.			trans	-118.8	-152.4	165.4	74.5	-5	0	0	0	109.4	S35 R36 N95 S96 L108 F129	S35-D93 WeakPolarHBondContact OG-CB 3.42Å; R36-D93 HydrophobicContact CG-CB 4.48Å; D93-N95 PolarHBondContact OD1-N 2.72Å; D93-S96 VanDerWaalsContact OD1-CB 3.31Å; D93-S96 WeakPolarHBondContact OD1-CB 3.29Å; D93-S96 PolarHBondContact OD1-N 3.42Å; D93-S96 PolarHBondContact OD1-OG 3.17Å; D93-S96 WeakPolarHBondContact OD2-CB 3.47Å; D93-S96 PolarHBondContact OD2-OG 2.49Å; D93-L108 HydrophobicContact CB-CD2 4.09Å; D93-F129 PolarHBondContact O-N 3.36Å
94	Q	94.4	Very high	89.2	Confident	75 Å²	75	49.5 Å²	49.5	35%	0.35	33%	0.326	S	S	.	.	S	Bend	trans	-76	-36.1	179	-171.1	57.1	31.4	0	0	113.7	R36 F129 C130	R36-Q94 HydrophobicContact CG-CB 4.48Å; Q94-F129 PolarHBondContact O-N 3.28Å; Q94-C130 WeakPolarHBondContact O-CB 3.47Å; Q94-C130 PolarHBondContact O-N 2.84Å
95	N	96.1	Very high	90.1	Very high	111 Å²	111	49.7 Å²	49.7	59%	0.594	33%	0.33	S	S	*	.	S	Bend	trans	-164.4	14.3	-168.2	67.5	-27.1	0	0	0	117	D93 G127 C130	D93-N95 PolarHBondContact OD1-N 2.72Å; N95-G127 WeakPolarHBondContact CA-O 3.33Å; N95-C130 HydrophobicContact CB-CB 4.33Å
96	S	94.6	Very high	91.3	Very high	22 Å²	22	48.6 Å²	48.6	15%	0.154	31%	0.313	C	S	.	.			trans	-72.8	142.7	177.1	-69.9	0	0	0	0	112.1	D93 L102 G127 G128	D93-S96 VanDerWaalsContact OD1-CB 3.31Å; D93-S96 WeakPolarHBondContact OD1-CB 3.29Å; D93-S96 PolarHBondContact OD1-N 3.42Å; D93-S96 PolarHBondContact OD1-OG 3.17Å; D93-S96 WeakPolarHBondContact OD2-CB 3.47Å; D93-S96 PolarHBondContact OD2-OG 2.49Å; S96-L102 WeakPolarHBondContact OG-CD2 3.25Å; S96-G127 PolarHBondContact O-N 3.19Å; S96-G128 PolarHBondContact O-N 3.09Å
97	S	93.2	Very high	92	Very high	60 Å²	60	45.3 Å²	45.3	42%	0.42	29%	0.294	S	S	.	.			trans	-112.2	-29.9	-179.3	-55.1	0	0	0	0	114.8	P13	P13-S97 WeakPolarHBondContact CB-O 3.29Å
98	D	92.2	Very high	92.4	Very high	75 Å²	75	45.1 Å²	45.1	40%	0.401	29%	0.294	S	S	.	.			trans	-134.3	123.9	-171.1	172.5	17.5	0	0	0	110.9	A100 A101	D98-A100 PolarHBondContact O-N 2.86Å; D98-A100 WeakPolarHBondContact OD1-CB 3.46Å; D98-A100 PolarHBondContact OD1-N 3.34Å; D98-A101 HydrophobicContact CB-CB 4.12Å; D98-A101 PolarHBondContact O-N 2.83Å
99	P	91.4	Very high	92.6	Very high	19 Å²	19	43.8 Å²	43.8	12%	0.123	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-54.5	-32.6	173.2	-25.2	34.1	0	0	0	114.3	V11 L102 L124	V11-P99 HydrophobicContact CB-CB 4.23Å; V11-P99 HydrophobicContact CB-CG 4.1Å; V11-P99 HydrophobicContact CG1-CB 4.16Å; V11-P99 HydrophobicContact CG1-CG 3.63Å; P99-L102 WeakPolarHBondContact O-CB 3.5Å; P99-L102 WeakPolarHBondContact O-CG 3.31Å; P99-L102 PolarHBondContact O-N 2.65Å; P99-L124 HydrophobicContact CG-CB 3.86Å; P99-L124 HydrophobicContact CG-CD2 3.95Å
100	A	90.1	Very high	92.5	Very high	83 Å²	83	44.4 Å²	44.4	69%	0.686	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-76.7	-21.1	-177.9	0	0	0	0	0	113.4	D98 L102	D98-A100 PolarHBondContact O-N 2.86Å; D98-A100 WeakPolarHBondContact OD1-CB 3.46Å; D98-A100 PolarHBondContact OD1-N 3.34Å; A100-L102 VanDerWaalsContact C-N 3.29Å
101	A	90.9	Very high	92.4	Very high	80 Å²	80	44.4 Å²	44.4	66%	0.661	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-78.8	-10.6	173.9	0	0	0	0	0	113.3	D98	D98-A101 HydrophobicContact CB-CB 4.12Å; D98-A101 PolarHBondContact O-N 2.83Å
102	L	90.2	Very high	92.3	Very high	30 Å²	30	44.6 Å²	44.6	16%	0.157	29%	0.294	C	S	.	.	S	Bend	trans	-76.2	125.7	-176.6	-57.4	179.3	0	0	0	112.1	S96 P99 A100 A104 L108 S109 L112 L124	S96-L102 WeakPolarHBondContact OG-CD2 3.25Å; P99-L102 WeakPolarHBondContact O-CB 3.5Å; P99-L102 WeakPolarHBondContact O-CG 3.31Å; P99-L102 PolarHBondContact O-N 2.65Å; A100-L102 VanDerWaalsContact C-N 3.29Å; L102-A104 PolarHBondContact O-N 3.34Å; L102-L108 HydrophobicContact CD1-CB 4.31Å; L102-L108 HydrophobicContact CD1-CD2 3.6Å; L102-L108 HydrophobicContact CD1-CG 3.69Å; L102-L108 HydrophobicContact CD2-CD2 3.84Å; L102-L108 HydrophobicContact CG-CD2 4.39Å; L102-S109 VanDerWaalsContact CB-OG 3.24Å; L102-S109 WeakPolarHBondContact CB-OG 3.32Å; L102-L112 HydrophobicContact CD1-CD1 3.77Å; L102-L124 HydrophobicContact CD1-CD2 4.26Å
103	G	89.2	Confident	92.1	Very high	51 Å²	51	47.7 Å²	47.7	53%	0.526	31%	0.313	S	S	.	.			trans	-59.3	127.6	174	0	0	0	0	0	111.9	D105 S106 S109	G103-D105 PolarHBondContact O-N 2.81Å; G103-S106 WeakPolarHBondContact O-CB 3.42Å; G103-S106 PolarHBondContact O-N 3.03Å; G103-S106 PolarHBondContact O-OG 2.86Å; G103-S109 PolarHBondContact O-OG 3.12Å; G103-S109 VanDerWaalsContact O-OG 3.06Å
104	A	85.8	Confident	92	Very high	91 Å²	91	47.2 Å²	47.2	75%	0.752	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.1	-166.4	0	0	0	0	0	116.5	L102	L102-A104 PolarHBondContact O-N 3.34Å
105	D	86.1	Confident	91.9	Very high	104 Å²	104	43.7 Å²	43.7	56%	0.556	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	12.6	173.6	-166.9	46.5	0	0	0	113.2	K59 Q63 G103	K59-D105 WeakPolarHBondContact CD-O 3.48Å; K59-D105 PolarHBondContact NZ-O 3.3Å; K59-D105 IonicContact NZ-OD1 1.78Å; K59-D105 PolarHBondContact NZ-OD1 2.84Å; K59-D105 IonicContact NZ-OD2 3.85Å; K59-D105 PolarHBondContact NZ-OD2 3.48Å; Q63-D105 PolarHBondContact NE2-OD1 3.32Å; G103-D105 PolarHBondContact O-N 2.81Å
106	S	91.1	Very high	91.7	Very high	39 Å²	39	40.5 Å²	40.5	27%	0.273	27%	0.274	S	S	.	.	S	Bend	trans	-66.9	156.1	169.4	83.1	0	0	0	0	110.9	G103 L108 S109 V110	G103-S106 WeakPolarHBondContact O-CB 3.42Å; G103-S106 PolarHBondContact O-N 3.03Å; G103-S106 PolarHBondContact O-OG 2.86Å; S106-L108 VanDerWaalsContact C-N 3.32Å; S106-S109 WeakPolarHBondContact OG-CB 3.22Å; S106-S109 PolarHBondContact OG-N 2.86Å; S106-S109 PolarHBondContact OG-OG 3.31Å; S106-V110 WeakPolarHBondContact O-CG2 3.38Å; S106-V110 PolarHBondContact O-N 2.96Å
107	F	92.1	Very high	91.5	Very high	26 Å²	26	47.3 Å²	47.3	11%	0.114	30%	0.297	C	S	.	.	H	α-helix	trans	-64.2	-40.1	173.5	172.9	-104.3	0	0	0	111.7	V52 G54 M58 K59 L62 V110 L111	V52-F107 HydrophobicContact CG1-CZ 4.22Å; G54-F107 VanDerWaalsContact CA-CG 3.41Å; M58-F107 HydrophobicContact CB-CE2 4.5Å; M58-F107 HydrophobicContact CG-CE2 4.36Å; K59-F107 HydrophobicContact CB-CD2 3.97Å; K59-F107 HydrophobicContact CG-CD2 4.28Å; L62-F107 HydrophobicContact CD1-CE2 4.02Å; F107-V110 PolarHBondContact O-N 3.11Å; F107-L111 HydrophobicContact CE1-CB 4.4Å; F107-L111 HydrophobicContact CE1-CD2 3.8Å; F107-L111 HydrophobicContact CZ-CB 4.42Å; F107-L111 HydrophobicContact CZ-CD2 4.14Å; F107-L111 WeakPolarHBondContact O-CB 3.4Å; F107-L111 PolarHBondContact O-N 3.03Å
108	L	93.8	Very high	91.2	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-45.8	-178.7	-177.3	60	0	0	0	111.8	V91 D93 L102 S106 V110 L111 L112 L124	V91-L108 HydrophobicContact CB-CD1 4.48Å; V91-L108 HydrophobicContact CG1-CD1 3.56Å; D93-L108 HydrophobicContact CB-CD2 4.09Å; L102-L108 HydrophobicContact CD1-CB 4.31Å; L102-L108 HydrophobicContact CD1-CD2 3.6Å; L102-L108 HydrophobicContact CD1-CG 3.69Å; L102-L108 HydrophobicContact CD2-CD2 3.84Å; L102-L108 HydrophobicContact CG-CD2 4.39Å; S106-L108 VanDerWaalsContact C-N 3.32Å; L108-V110 VanDerWaalsContact C-N 3.33Å; L108-V110 PolarHBondContact O-N 3.08Å; L108-L111 PolarHBondContact O-N 3.13Å; L108-L112 HydrophobicContact CD1-CD1 4.21Å; L108-L112 HydrophobicContact CD1-CG 4.24Å; L108-L112 HydrophobicContact CG-CD1 4.05Å; L108-L112 WeakPolarHBondContact O-CB 3.3Å; L108-L112 VanDerWaalsContact O-CG 3.3Å; L108-L112 WeakPolarHBondContact O-CG 3.33Å; L108-L112 PolarHBondContact O-N 3.06Å; L108-L124 HydrophobicContact CD1-CD1 4.21Å; L108-L124 HydrophobicContact CD2-CD1 3.85Å; L108-L124 HydrophobicContact CG-CD1 4.44Å
109	S	93.7	Very high	91	Very high	16 Å²	16	43.9 Å²	43.9	11%	0.112	28%	0.277	C	S	.	.	H	α-helix	trans	-58.6	-43	174.1	-54.3	0	0	0	0	112	L102 G103 S106 V113	L102-S109 VanDerWaalsContact CB-OG 3.24Å; L102-S109 WeakPolarHBondContact CB-OG 3.32Å; G103-S109 PolarHBondContact O-OG 3.12Å; G103-S109 VanDerWaalsContact O-OG 3.06Å; S106-S109 WeakPolarHBondContact OG-CB 3.22Å; S106-S109 PolarHBondContact OG-N 2.86Å; S106-S109 PolarHBondContact OG-OG 3.31Å; S109-V113 WeakPolarHBondContact O-CB 3.47Å; S109-V113 VanDerWaalsContact O-CG2 3.26Å; S109-V113 WeakPolarHBondContact O-CG2 3.33Å; S109-V113 PolarHBondContact O-N 2.75Å
110	V	93.4	Very high	90.8	Very high	12 Å²	12	47.6 Å²	47.6	7%	0.073	30%	0.301	C	S	.	.	H	α-helix	trans	-65.4	-41.6	177.1	167.2	0	0	0	0	111.8	K59 L62 Q63 S106 F107 L108 K114	K59-V110 HydrophobicContact CD-CG2 4.1Å; K59-V110 HydrophobicContact CG-CB 4.02Å; K59-V110 HydrophobicContact CG-CG1 4Å; K59-V110 HydrophobicContact CG-CG2 3.88Å; L62-V110 HydrophobicContact CB-CG1 3.97Å; Q63-V110 HydrophobicContact CG-CB 4.48Å; Q63-V110 HydrophobicContact CG-CG1 3.81Å; Q63-V110 HydrophobicContact CG-CG2 3.76Å; S106-V110 WeakPolarHBondContact O-CG2 3.38Å; S106-V110 PolarHBondContact O-N 2.96Å; F107-V110 PolarHBondContact O-N 3.11Å; L108-V110 VanDerWaalsContact C-N 3.33Å; L108-V110 PolarHBondContact O-N 3.08Å; V110-K114 WeakPolarHBondContact O-CG 3.43Å; V110-K114 PolarHBondContact O-N 2.81Å
111	L	94.3	Very high	90.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-50.5	179	176.5	59.2	0	0	0	110.8	I33 V52 I69 V91 F107 L108 K114 L115	I33-L111 HydrophobicContact CG2-CD2 4.16Å; V52-L111 HydrophobicContact CG1-CD1 4.16Å; I69-L111 HydrophobicContact CD1-CD1 3.6Å; V91-L111 HydrophobicContact CG1-CD2 3.93Å; F107-L111 HydrophobicContact CE1-CB 4.4Å; F107-L111 HydrophobicContact CE1-CD2 3.8Å; F107-L111 HydrophobicContact CZ-CB 4.42Å; F107-L111 HydrophobicContact CZ-CD2 4.14Å; F107-L111 WeakPolarHBondContact O-CB 3.4Å; F107-L111 PolarHBondContact O-N 3.03Å; L108-L111 PolarHBondContact O-N 3.13Å; L111-K114 PolarHBondContact O-N 2.8Å; L111-K114 VanDerWaalsContact O-N 3.12Å; L111-L115 HydrophobicContact CD1-CD1 3.97Å; L111-L115 HydrophobicContact CD1-CG 4.3Å; L111-L115 HydrophobicContact CG-CD1 3.87Å; L111-L115 WeakPolarHBondContact O-CG 3.46Å; L111-L115 PolarHBondContact O-N 2.91Å
112	L	94.5	Very high	91	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-55.9	-52.5	176.7	-73.9	172.4	0	0	0	111.9	V11 V91 L102 L108 K114 L115 E116 V122	V11-L112 HydrophobicContact CG1-CD1 4.37Å; V11-L112 HydrophobicContact CG1-CD2 3.9Å; V11-L112 HydrophobicContact CG2-CB 4.11Å; V11-L112 HydrophobicContact CG2-CD2 4.14Å; V91-L112 HydrophobicContact CB-CD2 4.03Å; V91-L112 HydrophobicContact CG2-CD2 3.78Å; L102-L112 HydrophobicContact CD1-CD1 3.77Å; L108-L112 HydrophobicContact CD1-CD1 4.21Å; L108-L112 HydrophobicContact CD1-CG 4.24Å; L108-L112 HydrophobicContact CG-CD1 4.05Å; L108-L112 WeakPolarHBondContact O-CB 3.3Å; L108-L112 VanDerWaalsContact O-CG 3.3Å; L108-L112 WeakPolarHBondContact O-CG 3.33Å; L108-L112 PolarHBondContact O-N 3.06Å; L112-K114 PolarHBondContact O-N 2.92Å; L112-L115 PolarHBondContact O-N 2.86Å; L112-E116 WeakPolarHBondContact O-CG 3.42Å; L112-E116 PolarHBondContact O-N 3.08Å; L112-V122 HydrophobicContact CD2-CG1 3.91Å
113	V	93	Very high	91.2	Very high	65 Å²	65	41.6 Å²	41.6	39%	0.394	25%	0.248	S	C	.	.	H	α-helix	trans	-63.3	-14.8	179.3	169.1	0	0	0	0	113.6	S109 R117	S109-V113 WeakPolarHBondContact O-CB 3.47Å; S109-V113 VanDerWaalsContact O-CG2 3.26Å; S109-V113 WeakPolarHBondContact O-CG2 3.33Å; S109-V113 PolarHBondContact O-N 2.75Å; V113-R117 WeakPolarHBondContact O-CD 3.13Å; V113-R117 WeakPolarHBondContact O-CG 3.49Å; V113-R117 PolarHBondContact O-NE 2.88Å
114	K	92.4	Very high	91.6	Very high	18 Å²	18	39.2 Å²	39.2	8%	0.078	22%	0.223	C	C	.	.	H	α-helix	trans	-91.2	-40	172.3	-67.4	-80.3	155.4	155.6	0	111.4	L62 D65 I69 V110 L111 L112 R117	L62-K114 VanDerWaalsContact O-CE 3.27Å; L62-K114 WeakPolarHBondContact O-CE 3.49Å; L62-K114 PolarHBondContact O-NZ 3.02Å; D65-K114 IonicContact OD1-NZ 2.7Å; D65-K114 PolarHBondContact OD1-NZ 3.38Å; D65-K114 IonicContact OD2-NZ 3.07Å; D65-K114 PolarHBondContact OD2-NZ 3.46Å; I69-K114 HydrophobicContact CB-CB 4.36Å; V110-K114 WeakPolarHBondContact O-CG 3.43Å; V110-K114 PolarHBondContact O-N 2.81Å; L111-K114 PolarHBondContact O-N 2.8Å; L111-K114 VanDerWaalsContact O-N 3.12Å; L112-K114 PolarHBondContact O-N 2.92Å; K114-R117 WeakPolarHBondContact O-CB 3.17Å; K114-R117 PolarHBondContact O-N 3.43Å
115	L	92.4	Very high	92.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-43.4	175	-68.8	162.7	0	0	0	111.9	I33 I69 L73 V89 V91 L111 L112 R117 S118 F119 V122	I33-L115 HydrophobicContact CD1-CD1 3.88Å; I33-L115 HydrophobicContact CD1-CD2 3.87Å; I69-L115 HydrophobicContact CD1-CD2 4.03Å; I69-L115 HydrophobicContact CD1-CG 4.33Å; I69-L115 HydrophobicContact CG1-CD2 3.5Å; I69-L115 VanDerWaalsContact CG1-CD2 3.5Å; I69-L115 HydrophobicContact CG1-CG 3.96Å; L73-L115 HydrophobicContact CD1-CD2 3.95Å; V89-L115 HydrophobicContact CG1-CD1 4.09Å; V89-L115 HydrophobicContact CG1-CD2 4.11Å; V91-L115 HydrophobicContact CG2-CD1 3.41Å; V91-L115 VanDerWaalsContact CG2-CD1 3.41Å; L111-L115 HydrophobicContact CD1-CD1 3.97Å; L111-L115 HydrophobicContact CD1-CG 4.3Å; L111-L115 HydrophobicContact CG-CD1 3.87Å; L111-L115 WeakPolarHBondContact O-CG 3.46Å; L111-L115 PolarHBondContact O-N 2.91Å; L112-L115 PolarHBondContact O-N 2.86Å; L115-R117 PolarHBondContact O-N 2.83Å; L115-S118 PolarHBondContact O-N 3.25Å; L115-F119 HydrophobicContact CB-CD2 4.43Å; L115-F119 HydrophobicContact CD2-CD2 3.91Å; L115-F119 HydrophobicContact CD2-CE2 3.78Å; L115-F119 PolarHBondContact O-N 3.37Å; L115-V122 HydrophobicContact CB-CG1 4.05Å; L115-V122 HydrophobicContact CB-CG2 4.06Å
116	E	91.8	Very high	92.7	Very high	44 Å²	44	31.3 Å²	31.3	21%	0.206	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-14.5	176.5	-69.3	-175.9	113	0	0	114.8	T10 V11 L112 V122	T10-E116 WeakPolarHBondContact CA-OE1 3.36Å; T10-E116 PolarHBondContact N-OE1 2.97Å; T10-E116 PolarHBondContact OG1-OE1 3.5Å; V11-E116 HydrophobicContact CG2-CG 3.66Å; V11-E116 WeakPolarHBondContact CG2-OE1 3.42Å; V11-E116 PolarHBondContact N-OE1 2.92Å; L112-E116 WeakPolarHBondContact O-CG 3.42Å; L112-E116 PolarHBondContact O-N 3.08Å; E116-V122 HydrophobicContact CG-CB 4.38Å; E116-V122 HydrophobicContact CG-CG2 4.37Å
117	R	89.1	Confident	92.8	Very high	165 Å²	165	29.7 Å²	29.7	62%	0.623	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-12.1	176.8	-59.6	174.5	-173.4	-154.2	-5.2	112.9	V113 K114 L115	V113-R117 WeakPolarHBondContact O-CD 3.13Å; V113-R117 WeakPolarHBondContact O-CG 3.49Å; V113-R117 PolarHBondContact O-NE 2.88Å; K114-R117 WeakPolarHBondContact O-CB 3.17Å; K114-R117 PolarHBondContact O-N 3.43Å; L115-R117 PolarHBondContact O-N 2.83Å
118	S	87.4	Confident	93	Very high	51 Å²	51	28.4 Å²	28.4	36%	0.357	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-21.9	-173.4	-62.7	0	0	0	0	113.5	I69 L115	I69-S118 VanDerWaalsContact CG2-OG 3.28Å; I69-S118 WeakPolarHBondContact CG2-OG 3.42Å; L115-S118 PolarHBondContact O-N 3.25Å
119	F	89	Confident	93.2	Very high	12 Å²	12	28.4 Å²	28.4	5%	0.053	15%	0.154	C	C	.	.			trans	-127.9	141.2	-178.3	-58.8	-86	0	0	0	110.8	T70 L73 L83 V89 L115 V122	T70-F119 HydrophobicContact CG2-CZ 4.46Å; L73-F119 HydrophobicContact CD1-CE2 3.88Å; L73-F119 HydrophobicContact CD1-CZ 3.86Å; L83-F119 HydrophobicContact CB-CE1 4.48Å; L83-F119 HydrophobicContact CD1-CZ 4.31Å; L83-F119 HydrophobicContact CD2-CE1 4.15Å; L83-F119 HydrophobicContact CD2-CZ 3.99Å; V89-F119 HydrophobicContact CG2-CB 3.64Å; V89-F119 HydrophobicContact CG2-CD1 3.58Å; V89-F119 HydrophobicContact CG2-CD2 3.74Å; V89-F119 HydrophobicContact CG2-CE1 4.13Å; V89-F119 HydrophobicContact CG2-CE2 4.28Å; V89-F119 HydrophobicContact CG2-CG 3.36Å; V89-F119 HydrophobicContact CG2-CZ 4.45Å; L115-F119 HydrophobicContact CB-CD2 4.43Å; L115-F119 HydrophobicContact CD2-CD2 3.91Å; L115-F119 HydrophobicContact CD2-CE2 3.78Å; L115-F119 PolarHBondContact O-N 3.37Å; F119-V122 HydrophobicContact CB-CG2 4.03Å
120	P	85.6	Confident	93.2	Very high	97 Å²	97	30 Å²	30	63%	0.63	17%	0.165	S	C	*	.	S	Bend	trans	-81.4	-21.5	-175.8	33.8	-37.3	0	0	0	113.6	G85	G85-P120 WeakPolarHBondContact O-CD 3.37Å; G85-P120 VanDerWaalsContact O-CG 3.24Å; G85-P120 WeakPolarHBondContact O-CG 3.34Å
121	S	90.8	Very high	93.3	Very high	27 Å²	27	33.5 Å²	33.5	19%	0.189	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117.1	177.6	-162.6	0	0	0	0	108.7	E88 V89 H123	E88-S121 PolarHBondContact OE2-OG 3.34Å; V89-S121 PolarHBondContact N-O 3.07Å; S121-H123 PolarHBondContact OG-NE2 3.05Å
122	V	94.7	Very high	93.4	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.042	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130	179.7	-176.2	0	0	0	0	108	V11 R12 V89 L112 L115 E116 F119	V11-V122 WeakPolarHBondContact CA-O 3.41Å; V11-V122 HydrophobicContact CG2-CG1 4.33Å; R12-V122 PolarHBondContact N-O 3.34Å; V89-V122 HydrophobicContact CB-CG2 4.33Å; V89-V122 CarbonylContact O-C 3.52Å; V89-V122 WeakPolarHBondContact O-CA 3.17Å; L112-V122 HydrophobicContact CD2-CG1 3.91Å; L115-V122 HydrophobicContact CB-CG1 4.05Å; L115-V122 HydrophobicContact CB-CG2 4.06Å; E116-V122 HydrophobicContact CG-CB 4.38Å; E116-V122 HydrophobicContact CG-CG2 4.37Å; F119-V122 HydrophobicContact CB-CG2 4.03Å
123	H	95.9	Very high	93.5	Very high	34 Å²	34	33.6 Å²	33.6	16%	0.157	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	152.9	-179.3	-50.1	-85	0	0	0	111.7	R12 I14 E88 V89 V90 V91 S121	R12-H123 CarbonylContact O-C 3.54Å; R12-H123 WeakPolarHBondContact O-CA 3.12Å; R12-H123 WeakPolarHBondContact O-CB 3.08Å; I14-H123 HydrophobicContact CB-CB 3.98Å; I14-H123 HydrophobicContact CG2-CB 3.65Å; E88-H123 IonicContact OE1-NE2 2.63Å; E88-H123 IonicContact OE2-CD2 2.99Å; E88-H123 IonicContact OE2-CE1 2.66Å; E88-H123 CovalentContact OE2-NE2 1.78Å; E88-H123 IonicContact OE2-NE2 2.71Å; E88-H123 PolarHBondContact OE2-NE2 3.09Å; V89-H123 PolarHBondContact O-N 3Å; V90-H123 HydrophobicContact CG2-CB 4.35Å; V91-H123 PolarHBondContact N-O 3.06Å; S121-H123 PolarHBondContact OG-NE2 3.05Å
124	L	97.3	Very high	93.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.2	164.9	177.2	65.6	0	0	0	108.7	V11 R12 P13 I14 V91 P99 L102 L108 S126	V11-L124 HydrophobicContact CG1-CB 4.24Å; R12-L124 PolarHBondContact O-N 2.58Å; P13-L124 CarbonylContact C-O 3.53Å; P13-L124 VanDerWaalsContact CA-O 3.3Å; P13-L124 WeakPolarHBondContact CA-O 3.39Å; I14-L124 PolarHBondContact N-O 3.23Å; V91-L124 CarbonylContact O-C 3.58Å; V91-L124 WeakPolarHBondContact O-CA 3.47Å; P99-L124 HydrophobicContact CG-CB 3.86Å; P99-L124 HydrophobicContact CG-CD2 3.95Å; L102-L124 HydrophobicContact CD1-CD2 4.26Å; L108-L124 HydrophobicContact CD1-CD1 4.21Å; L108-L124 HydrophobicContact CD2-CD1 3.85Å; L108-L124 HydrophobicContact CG-CD1 4.44Å; L124-S126 PolarHBondContact O-N 3.43Å
125	L	97.8	Very high	93.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	113.8	172.6	-178.7	60.1	0	0	0	110.1	I14 P16 L19 I46 V90 V91 Y92 G128 F132	I14-L125 HydrophobicContact CG2-CD1 4.43Å; P16-L125 HydrophobicContact CG-CD1 4.49Å; L19-L125 HydrophobicContact CB-CD1 4.06Å; L19-L125 HydrophobicContact CD2-CD1 3.77Å; L19-L125 HydrophobicContact CD2-CD2 3.74Å; L19-L125 HydrophobicContact CD2-CG 4.32Å; I46-L125 HydrophobicContact CD1-CD2 3.63Å; V90-L125 HydrophobicContact CG1-CB 4.2Å; V91-L125 PolarHBondContact O-N 2.97Å; Y92-L125 HydrophobicContact CD1-CD2 4.47Å; Y92-L125 HydrophobicContact CG-CD2 4.18Å; L125-G128 PolarHBondContact O-N 3.09Å; L125-G128 VanDerWaalsContact O-N 3.15Å; L125-F132 HydrophobicContact CD1-CD2 4.32Å; L125-F132 HydrophobicContact CD2-CB 3.93Å; L125-F132 HydrophobicContact CD2-CD2 4.16Å; L125-F132 HydrophobicContact CD2-CG 4.19Å
126	S	96.8	Very high	93.6	Very high	30 Å²	30	42.9 Å²	42.9	21%	0.21	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	133.4	178.8	177.5	0	0	0	0	110.9	I14 L124 G128	I14-S126 PolarHBondContact O-N 2.97Å; L124-S126 PolarHBondContact O-N 3.43Å; S126-G128 PolarHBondContact O-N 3.29Å
127	G	93.8	Very high	93.5	Very high	4 Å²	4	44 Å²	44	4%	0.041	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	-0.1	-176	0	0	0	0	0	113.9	N95 S96 E131	N95-G127 WeakPolarHBondContact CA-O 3.33Å; S96-G127 PolarHBondContact O-N 3.19Å; G127-E131 WeakPolarHBondContact CA-OE2 2.99Å; G127-E131 WeakPolarHBondContact O-CB 3.18Å; G127-E131 PolarHBondContact O-N 2.83Å; G127-E131 VanDerWaalsContact O-N 3.12Å
128	G	96.4	Very high	93.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	50.6	-150.3	178.9	0	0	0	0	0	114.1	S96 L125 S126 C130 F132	S96-G128 PolarHBondContact O-N 3.09Å; L125-G128 PolarHBondContact O-N 3.09Å; L125-G128 VanDerWaalsContact O-N 3.15Å; S126-G128 PolarHBondContact O-N 3.29Å; G128-C130 VanDerWaalsContact C-N 3.29Å; G128-C130 PolarHBondContact O-N 3.46Å; G128-F132 WeakPolarHBondContact O-CB 3.34Å; G128-F132 PolarHBondContact O-N 3.44Å
129	F	96.5	Very high	93.7	Very high	9 Å²	9	39.6 Å²	39.6	4%	0.039	23%	0.233	C	C	.	.	H	α-helix	trans	-66.5	-29.4	177.2	-171.5	-105.7	0	0	0	113.6	S44 H45 I46 Y92 D93 Q94 S133 C140	S44-F129 WeakPolarHBondContact O-CE1 3.09Å; S44-F129 WeakPolarHBondContact O-CZ 3.14Å; S44-F129 WeakPolarHBondContact OG-CZ 3.5Å; H45-F129 VanDerWaalsContact C-CE2 3.44Å; H45-F129 VanDerWaalsContact CA-CE2 3.49Å; I46-F129 HydrophobicContact CG1-CD2 3.83Å; I46-F129 HydrophobicContact CG1-CE2 3.96Å; Y92-F129 HydrophobicContact CD2-CB 3.9Å; Y92-F129 HydrophobicContact CD2-CD2 4.49Å; Y92-F129 HydrophobicContact CE2-CB 3.93Å; Y92-F129 AromaticContact CE2-CD2 3.82Å; Y92-F129 HydrophobicContact CE2-CD2 3.82Å; Y92-F129 HydrophobicContact CE2-CG 4.24Å; D93-F129 PolarHBondContact O-N 3.36Å; Q94-F129 PolarHBondContact O-N 3.28Å; F129-S133 WeakPolarHBondContact O-CB 3.46Å; F129-S133 PolarHBondContact O-N 2.94Å; F129-S133 PolarHBondContact O-OG 3.34Å; F129-C140 HydrophobicContact CE2-CB 4.33Å; F129-C140 HydrophobicContact CZ-CB 4.27Å
130	C	94.1	Very high	93.8	Very high	51 Å²	51	39.5 Å²	39.5	35%	0.345	23%	0.234	S	C	.	.	H	α-helix	trans	-62	-49.2	-177.3	-168.9	0	0	0	0	111.2	Q94 N95 G128 Q134	Q94-C130 WeakPolarHBondContact O-CB 3.47Å; Q94-C130 PolarHBondContact O-N 2.84Å; N95-C130 HydrophobicContact CB-CB 4.33Å; G128-C130 VanDerWaalsContact C-N 3.29Å; G128-C130 PolarHBondContact O-N 3.46Å; C130-Q134 WeakPolarHBondContact O-CG 3.41Å; C130-Q134 PolarHBondContact O-NE2 3.21Å
131	E	96.3	Very high	93.7	Very high	84 Å²	84	38.7 Å²	38.7	39%	0.393	22%	0.222	S	C	.	.	H	α-helix	trans	-74.8	-50.5	-178.9	-164.7	171.8	142.7	0	0	111.3	P16 G127 S133 Q134 L135	P16-E131 HydrophobicContact CG-CG 4.28Å; G127-E131 WeakPolarHBondContact CA-OE2 2.99Å; G127-E131 WeakPolarHBondContact O-CB 3.18Å; G127-E131 PolarHBondContact O-N 2.83Å; G127-E131 VanDerWaalsContact O-N 3.12Å; E131-S133 VanDerWaalsContact C-N 3.31Å; E131-S133 PolarHBondContact O-N 2.87Å; E131-Q134 WeakPolarHBondContact O-CB 3.46Å; E131-Q134 PolarHBondContact O-N 2.67Å; E131-L135 HydrophobicContact CG-CD1 4.17Å; E131-L135 PolarHBondContact O-N 2.72Å
132	F	96.8	Very high	92.6	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-56.3	-43.8	-179.7	-175.5	-82.7	0	0	0	112.5	P16 L19 V20 I46 L125 G128 Q134 L135 F136 L139	P16-F132 HydrophobicContact CB-CB 4.48Å; P16-F132 HydrophobicContact CB-CD2 3.89Å; L19-F132 HydrophobicContact CB-CE2 4.27Å; L19-F132 HydrophobicContact CD2-CD2 3.92Å; L19-F132 HydrophobicContact CD2-CE2 3.68Å; L19-F132 HydrophobicContact CD2-CZ 4.34Å; L19-F132 HydrophobicContact CG-CE2 3.97Å; V20-F132 HydrophobicContact CG2-CE2 3.92Å; V20-F132 HydrophobicContact CG2-CZ 4.15Å; I46-F132 HydrophobicContact CB-CE1 4.28Å; I46-F132 HydrophobicContact CD1-CB 4.27Å; I46-F132 HydrophobicContact CD1-CD1 3.47Å; I46-F132 VanDerWaalsContact CD1-CD1 3.47Å; I46-F132 HydrophobicContact CD1-CD2 4.17Å; I46-F132 HydrophobicContact CD1-CE1 3.78Å; I46-F132 HydrophobicContact CD1-CE2 4.43Å; I46-F132 HydrophobicContact CD1-CG 3.69Å; I46-F132 HydrophobicContact CD1-CZ 4.25Å; I46-F132 HydrophobicContact CG1-CD1 3.59Å; I46-F132 HydrophobicContact CG1-CE1 3.77Å; I46-F132 HydrophobicContact CG1-CG 4.31Å; I46-F132 HydrophobicContact CG2-CD1 4.35Å; I46-F132 HydrophobicContact CG2-CE1 3.62Å; I46-F132 HydrophobicContact CG2-CZ 3.96Å; L125-F132 HydrophobicContact CD1-CD2 4.32Å; L125-F132 HydrophobicContact CD2-CB 3.93Å; L125-F132 HydrophobicContact CD2-CD2 4.16Å; L125-F132 HydrophobicContact CD2-CG 4.19Å; G128-F132 WeakPolarHBondContact O-CB 3.34Å; G128-F132 PolarHBondContact O-N 3.44Å; F132-Q134 PolarHBondContact O-N 2.86Å; F132-L135 PolarHBondContact O-N 2.94Å; F132-F136 HydrophobicContact CD1-CB 4.32Å; F132-F136 HydrophobicContact CD2-CD2 4Å; F132-F136 HydrophobicContact CE1-CB 3.86Å; F132-F136 HydrophobicContact CE2-CB 4.4Å; F132-F136 AromaticContact CE2-CD2 3.85Å; F132-F136 HydrophobicContact CE2-CD2 3.85Å; F132-F136 HydrophobicContact CE2-CG 4.41Å; F132-F136 HydrophobicContact CG-CD2 4.48Å; F132-F136 HydrophobicContact CZ-CB 3.91Å; F132-F136 HydrophobicContact CZ-CD2 4.22Å; F132-F136 HydrophobicContact CZ-CG 4.34Å; F132-F136 PolarHBondContact O-N 2.71Å; F132-L139 HydrophobicContact CE1-CB 4.01Å; F132-L139 HydrophobicContact CZ-CB 4.13Å; F132-L139 HydrophobicContact CZ-CD1 4.15Å
133	S	94.8	Very high	90.8	Very high	7 Å²	7	43.7 Å²	43.7	5%	0.049	26%	0.255	C	S	.	.	H	α-helix	trans	-76	-7	-177.8	78.1	0	0	0	0	114.3	F129 E131 C140 K143	F129-S133 WeakPolarHBondContact O-CB 3.46Å; F129-S133 PolarHBondContact O-N 2.94Å; F129-S133 PolarHBondContact O-OG 3.34Å; E131-S133 VanDerWaalsContact C-N 3.31Å; E131-S133 PolarHBondContact O-N 2.87Å; S133-C140 VanDerWaalsContact CB-SG 3.53Å; S133-K143 PolarHBondContact O-NZ 2.83Å; S133-K143 PolarHBondContact OG-NZ 3.2Å
134	Q	92.1	Very high	88.3	Confident	139 Å²	139	46.9 Å²	46.9	65%	0.65	28%	0.281	S	S	*	.	H	α-helix	trans	-87.4	-41.2	168.7	-73.6	172.8	70.8	0	0	111.4	C130 E131 F132	C130-Q134 WeakPolarHBondContact O-CG 3.41Å; C130-Q134 PolarHBondContact O-NE2 3.21Å; E131-Q134 WeakPolarHBondContact O-CB 3.46Å; E131-Q134 PolarHBondContact O-N 2.67Å; F132-Q134 PolarHBondContact O-N 2.86Å
135	L	95.1	Very high	85.6	Confident	86 Å²	86	53.1 Å²	53.1	45%	0.45	32%	0.319	S	S	.	.	H	α-helix	trans	-76.1	-41.3	179.3	-62.5	170.3	0	0	0	112.2	P16 E131 F132 P137	P16-L135 HydrophobicContact CB-CD1 3.75Å; P16-L135 HydrophobicContact CG-CD1 3.89Å; E131-L135 HydrophobicContact CG-CD1 4.17Å; E131-L135 PolarHBondContact O-N 2.72Å; F132-L135 PolarHBondContact O-N 2.94Å; L135-P137 WeakPolarHBondContact O-CD 3.39Å
136	F	94.1	Very high	83	Confident	53 Å²	53	60.5 Å²	60.5	23%	0.232	36%	0.358	C	S	.	.			trans	-125.3	57.7	-174.1	-55.6	-70.3	0	0	0	112.6	P16 E17 V20 F132 G138 L139	P16-F136 HydrophobicContact CB-CD2 4.15Å; P16-F136 HydrophobicContact CB-CE2 3.79Å; E17-F136 HydrophobicContact CG-CZ 4.2Å; V20-F136 HydrophobicContact CG2-CD1 3.79Å; V20-F136 HydrophobicContact CG2-CD2 3.72Å; V20-F136 HydrophobicContact CG2-CE1 3.84Å; V20-F136 HydrophobicContact CG2-CE2 3.78Å; V20-F136 HydrophobicContact CG2-CG 3.73Å; V20-F136 HydrophobicContact CG2-CZ 3.84Å; F132-F136 HydrophobicContact CD1-CB 4.32Å; F132-F136 HydrophobicContact CD2-CD2 4Å; F132-F136 HydrophobicContact CE1-CB 3.86Å; F132-F136 HydrophobicContact CE2-CB 4.4Å; F132-F136 AromaticContact CE2-CD2 3.85Å; F132-F136 HydrophobicContact CE2-CD2 3.85Å; F132-F136 HydrophobicContact CE2-CG 4.41Å; F132-F136 HydrophobicContact CG-CD2 4.48Å; F132-F136 HydrophobicContact CZ-CB 3.91Å; F132-F136 HydrophobicContact CZ-CD2 4.22Å; F132-F136 HydrophobicContact CZ-CG 4.34Å; F132-F136 PolarHBondContact O-N 2.71Å; F136-G138 PolarHBondContact O-N 3.43Å; F136-L139 HydrophobicContact CB-CB 4.28Å; F136-L139 HydrophobicContact CB-CD1 4.16Å; F136-L139 HydrophobicContact CB-CG 4.38Å; F136-L139 PolarHBondContact O-N 3.41Å
137	P	90.3	Very high	80.2	Confident	67 Å²	67	64.4 Å²	64.4	44%	0.435	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-61.8	-28.1	-177.9	26.4	-35.2	0	0	0	113.2	L135 L139 C140	L135-P137 WeakPolarHBondContact O-CD 3.39Å; P137-L139 PolarHBondContact O-N 2.89Å; P137-C140 PolarHBondContact O-N 3.44Å
138	G	87.8	Confident	77.7	Confident	65 Å²	65	70.4 Å²	70.4	67%	0.67	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-72.7	-10.8	175.5	0	0	0	0	0	115	F136	F136-G138 PolarHBondContact O-N 3.43Å
139	L	92.1	Very high	75	Confident	59 Å²	59	75.6 Å²	75.6	31%	0.309	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-100.5	18.8	173.4	-61.7	-179.4	0	0	0	112.1	V20 I46 L47 F132 F136 P137	V20-L139 HydrophobicContact CG1-CD1 4.14Å; V20-L139 HydrophobicContact CG2-CD1 3.72Å; I46-L139 WeakPolarHBondContact CA-O 3.23Å; I46-L139 WeakPolarHBondContact CG2-O 3.43Å; L47-L139 PolarHBondContact N-O 3.41Å; F132-L139 HydrophobicContact CE1-CB 4.01Å; F132-L139 HydrophobicContact CZ-CB 4.13Å; F132-L139 HydrophobicContact CZ-CD1 4.15Å; F136-L139 HydrophobicContact CB-CB 4.28Å; F136-L139 HydrophobicContact CB-CD1 4.16Å; F136-L139 HydrophobicContact CB-CG 4.38Å; F136-L139 PolarHBondContact O-N 3.41Å; P137-L139 PolarHBondContact O-N 2.89Å
140	C	91.4	Very high	71.8	Confident	11 Å²	11	80.2 Å²	80.2	7%	0.074	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.2	180	-60	0	0	0	0	112	H45 F129 S133 P137	H45-C140 CarbonylContact O-C 3.52Å; H45-C140 WeakPolarHBondContact O-CA 3.32Å; H45-C140 WeakPolarHBondContact O-CB 3.42Å; F129-C140 HydrophobicContact CE2-CB 4.33Å; F129-C140 HydrophobicContact CZ-CB 4.27Å; S133-C140 VanDerWaalsContact CB-SG 3.53Å; P137-C140 PolarHBondContact O-N 3.44Å
141	E	83.3	Confident	69.3	Low	79 Å²	79	84.6 Å²	84.6	37%	0.369	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	157.8	165.9	-141.2	-165.7	102.8	0	0	110.3	S44 H45 L47 K143	S44-E141 WeakPolarHBondContact CA-O 3.45Å; S44-E141 VanDerWaalsContact CB-O 3.3Å; S44-E141 WeakPolarHBondContact CB-O 3.42Å; S44-E141 PolarHBondContact OG-O 2.97Å; H45-E141 IonicContact CE1-OE1 3.53Å; H45-E141 IonicContact CE1-OE2 3.17Å; H45-E141 PolarHBondContact N-O 3.01Å; H45-E141 IonicContact NE2-OE2 3.41Å; H45-E141 PolarHBondContact O-N 2.95Å; L47-E141 HydrophobicContact CD2-CB 4.01Å; L47-E141 HydrophobicContact CD2-CG 4.22Å; E141-K143 PolarHBondContact O-N 2.99Å; E141-K143 VanDerWaalsContact O-N 3.08Å
142	G	68.2	Low	66.7	Low	54 Å²	54	85.7 Å²	85.7	56%	0.557	53%	0.531	S	S	*	.	S	Bend	trans	78.9	-24	173.6	0	0	0	0	0	116.6	T43 S144	T43-G142 WeakPolarHBondContact O-CA 3.39Å; G142-S144 PolarHBondContact O-N 3.18Å
143	K	56.1	Low	64	Low	85 Å²	85	94.5 Å²	94.5	37%	0.37	57%	0.572	S	S	.	*			trans	-76.9	101.6	165.5	-78.7	-175.4	-167.6	-172.1	0	109.5	S133 E141 V145	S133-K143 PolarHBondContact O-NZ 2.83Å; S133-K143 PolarHBondContact OG-NZ 3.2Å; E141-K143 PolarHBondContact O-N 2.99Å; E141-K143 VanDerWaalsContact O-N 3.08Å; K143-V145 PolarHBondContact O-N 3.37Å
144	S	42.6	Very low	61.3	Low	102 Å²	102	99.6 Å²	99.6	71%	0.713	61%	0.608	S	S	*	*			trans	-56.1	136.4	164	-174.3	0	0	0	0	109.5	G142 L146	G142-S144 PolarHBondContact O-N 3.18Å; S144-L146 PolarHBondContact O-N 3.14Å
145	V	41.7	Very low	58.4	Low	131 Å²	131	98.5 Å²	98.5	79%	0.794	62%	0.616	S	S	*	*			trans	-74.5	78.5	-176.3	-174.8	0	0	0	0	110.1	K143 V147	K143-V145 PolarHBondContact O-N 3.37Å; V145-V147 PolarHBondContact O-N 3.28Å
146	L	42.9	Very low	55.8	Low	155 Å²	155	100.2 Å²	100.2	81%	0.812	63%	0.632	S	S	*	*			trans	-75.2	115.2	164.6	-65.7	-179.2	0	0	0	108.6	S144	S144-L146 PolarHBondContact O-N 3.14Å
147	V	37.2	Very low	52.9	Low	112 Å²	112	101.8 Å²	101.8	68%	0.679	66%	0.655	S	S	*	*			trans	-55.8	134.9	-177.1	-179.2	0	0	0	0	110.8	V145 S149	V145-V147 PolarHBondContact O-N 3.28Å; V147-S149 PolarHBondContact O-N 3.48Å; V147-S149 PolarHBondContact O-OG 3.3Å
148	P	42.5	Very low	50.7	Low	129 Å²	129	106 Å²	106	84%	0.838	67%	0.672	S	S	*	*			trans	-56.9	113.7	-176	-26.4	34.9	0	0	0	113
149	S	39.6	Very low	48.3	Very low	109 Å²	109	107.1 Å²	107.1	76%	0.762	67%	0.67	S	S	*	*			trans	-115.5	95.5	179.3	-63.2	0	0	0	0	110	V147	V147-S149 PolarHBondContact O-N 3.48Å; V147-S149 PolarHBondContact O-OG 3.3Å
150	C	28.5	Very low	46.3	Very low	106 Å²	106	106.6 Å²	106.6	72%	0.716	67%	0.671	S	S	*	*			trans	42.3	115.4	166.4	-63.8	0	0	0	0	118.9	S152	C150-S152 VanDerWaalsContact C-N 3.35Å; C150-S152 PolarHBondContact O-N 2.92Å
151	P	42.5	Very low	45.3	Very low	144 Å²	144	113.6 Å²	113.6	94%	0.935	71%	0.707	S	S	*	*	S	Bend	trans	-77.8	74.2	-179.5	34	-36.6	0	0	0	112.9
152	S	41.4	Very low	45.5	Very low	106 Å²	106	110.2 Å²	110.2	74%	0.741	69%	0.693	S	S	*	*			trans	-152.3	24.9	175.7	61.7	0	0	0	0	115.9	C150	C150-S152 VanDerWaalsContact C-N 3.35Å; C150-S152 PolarHBondContact O-N 2.92Å
153	Q	39.4	Very low	46.8	Very low	185 Å²	185	108.1 Å²	108.1	86%	0.864	67%	0.67	S	S	*	*	S	Bend	trans	-129.3	144.6	167.5	-66	-165.6	17.9	0	0	112.2
154	S	38	Very low	48.8	Very low	115 Å²	115	105.4 Å²	105.4	80%	0.804	66%	0.661	S	S	*	*			trans	-59.7	142.2	175.3	51.3	0	0	0	0	111.6
155	S	32.2	Very low	51.4	Low	115 Å²	115	107.8 Å²	107.8	80%	0.804	65%	0.654	S	S	*	*			trans	-34.8	115.9	-174.7	-47.8	0	0	0	0	114.3	A157	S155-A157 PolarHBondContact O-N 3.46Å
156	P	39.1	Very low	54.1	Low	122 Å²	122	101.6 Å²	101.6	79%	0.792	62%	0.616	S	S	*	*			trans	-66.1	112.1	169.5	27.3	-32.1	0	0	0	108.4
157	A	34.7	Very low	56.6	Low	86 Å²	86	95.8 Å²	95.8	71%	0.711	59%	0.586	S	S	*	*			trans	-54.9	143.8	162.2	0	0	0	0	0	108.5	S155 S159	S155-A157 PolarHBondContact O-N 3.46Å; A157-S159 VanDerWaalsContact C-N 3.32Å; A157-S159 PolarHBondContact O-N 3.44Å
158	I	42.4	Very low	59.5	Low	155 Å²	155	94.7 Å²	94.7	80%	0.795	58%	0.581	S	S	*	*			trans	-61.7	96.8	179.4	-59.1	175.5	0	0	0	108.3	S160	I158-S160 PolarHBondContact O-N 3.2Å
159	S	39.4	Very low	62.1	Low	90 Å²	90	89.8 Å²	89.8	63%	0.629	55%	0.547	S	S	*	.			trans	-73.9	99.2	-176.7	42.2	0	0	0	0	108	A157 L161	A157-S159 VanDerWaalsContact C-N 3.32Å; A157-S159 PolarHBondContact O-N 3.44Å; S159-L161 VanDerWaalsContact O-CD1 3.26Å; S159-L161 WeakPolarHBondContact O-CD1 3.39Å; S159-L161 PolarHBondContact O-N 3Å
160	S	48.7	Very low	64.9	Low	48 Å²	48	84.6 Å²	84.6	34%	0.336	51%	0.51	S	S	.	.			trans	-62.2	105.8	168.7	61.5	0	0	0	0	108.1	I158 G162 R176	I158-S160 PolarHBondContact O-N 3.2Å; S160-G162 PolarHBondContact O-N 2.9Å; S160-R176 PolarHBondContact OG-NH2 2.7Å
161	L	69.9	Low	68.3	Low	157 Å²	157	80 Å²	80	82%	0.822	48%	0.478	S	S	*	.			trans	-70.3	62.6	168.5	-90.4	62.6	0	0	0	109.3	S159	S159-L161 VanDerWaalsContact O-CD1 3.26Å; S159-L161 WeakPolarHBondContact O-CD1 3.39Å; S159-L161 PolarHBondContact O-N 3Å
162	G	87.7	Confident	70.9	Confident	8 Å²	8	73.1 Å²	73.1	8%	0.082	43%	0.434	C	S	.	.	S	Bend	trans	61.1	-151.8	175.6	0	0	0	0	0	116.1	S160 D177	S160-G162 PolarHBondContact O-N 2.9Å; G162-D177 WeakPolarHBondContact CA-OD1 3.42Å
163	P	96.1	Very high	73.6	Confident	10 Å²	10	68.1 Å²	68.1	7%	0.065	40%	0.398	C	S	.	.	S	Bend	trans	-79.5	138.2	174.5	33.9	-30.5	0	0	0	110.2	Y171 L172 D177 L183 I189 L245	P163-Y171 HydrophobicContact CB-CD1 4.44Å; P163-Y171 HydrophobicContact CG-CD1 4.21Å; P163-L172 CarbonylContact C-O 3.54Å; P163-L172 WeakPolarHBondContact CA-O 3.41Å; P163-D177 HydrophobicContact CB-CB 4.02Å; P163-D177 HydrophobicContact CG-CB 4.14Å; P163-L183 HydrophobicContact CG-CD2 3.6Å; P163-I189 HydrophobicContact CG-CD1 4.2Å; P163-L245 HydrophobicContact CB-CD1 3.55Å; P163-L245 HydrophobicContact CB-CD2 4.43Å; P163-L245 HydrophobicContact CG-CD1 4.4Å
164	T	97.6	Very high	76.3	Confident	29 Å²	29	59.9 Å²	59.9	18%	0.178	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	125.7	-177.7	-51.4	0	0	0	0	110.6	I166 Y171 L172 K281 R282	T164-I166 HydrophobicContact CG2-CD1 3.9Å; T164-I166 PolarHBondContact O-N 2.97Å; T164-Y171 CarbonylContact O-C 3.42Å; T164-Y171 VanDerWaalsContact O-CA 3.31Å; T164-Y171 WeakPolarHBondContact O-CA 3.31Å; T164-L172 PolarHBondContact N-O 2.91Å; T164-L172 PolarHBondContact O-N 3.13Å; T164-K281 HydrophobicContact CG2-CB 3.85Å; T164-K281 WeakPolarHBondContact CG2-O 3.46Å; T164-R282 HydrophobicContact CG2-CB 4.08Å; T164-R282 WeakPolarHBondContact OG1-CD 3.39Å; T164-R282 PolarHBondContact OG1-NH1 3.01Å
165	R	97.9	Very high	79.1	Confident	151 Å²	151	56.9 Å²	56.9	57%	0.57	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	113.5	170.8	-167	175.3	76.2	174.9	2.4	110.6	L167 Y171	R165-L167 WeakPolarHBondContact CG-O 3.47Å; R165-Y171 HydrophobicContact CB-CD1 3.95Å; R165-Y171 HydrophobicContact CB-CE1 3.63Å; R165-Y171 HydrophobicContact CB-CE2 4.38Å; R165-Y171 HydrophobicContact CB-CG 4.49Å; R165-Y171 WeakPolarHBondContact CD-OH 3.44Å; R165-Y171 HydrophobicContact CG-CD1 4.41Å; R165-Y171 HydrophobicContact CG-CD2 4.3Å; R165-Y171 HydrophobicContact CG-CE1 3.99Å; R165-Y171 HydrophobicContact CG-CE2 3.82Å
166	I	98.1	Very high	82.1	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-45.8	179.5	-54.7	-54.8	0	0	0	110.5	T164 L170 L172 I263 F277 V278 K281	T164-I166 HydrophobicContact CG2-CD1 3.9Å; T164-I166 PolarHBondContact O-N 2.97Å; I166-L170 HydrophobicContact CB-CD2 4.46Å; I166-L170 HydrophobicContact CB-CG 4.38Å; I166-L170 PolarHBondContact N-O 3.27Å; I166-L172 HydrophobicContact CD1-CB 3.99Å; I166-L172 HydrophobicContact CD1-CD2 4.25Å; I166-L172 HydrophobicContact CG1-CB 3.66Å; I166-I263 HydrophobicContact CG2-CD1 3.94Å; I166-I263 HydrophobicContact CG2-CG1 4.16Å; I166-F277 HydrophobicContact CG2-CD1 4.38Å; I166-F277 HydrophobicContact CG2-CE1 3.93Å; I166-V278 HydrophobicContact CD1-CG1 4.21Å; I166-V278 HydrophobicContact CG2-CG2 4.16Å; I166-K281 HydrophobicContact CD1-CB 4.09Å; I166-K281 HydrophobicContact CD1-CD 4.41Å; I166-K281 PolarHBondContact O-NZ 3.3Å
167	L	96.6	Very high	84.8	Confident	33 Å²	33	53.5 Å²	53.5	17%	0.173	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	167.6	172	-69.1	172	0	0	0	108.9	R165 H169 L170 Y262 I263 M267 F277	R165-L167 WeakPolarHBondContact CG-O 3.47Å; L167-H169 PolarHBondContact O-N 3.45Å; L167-H169 VanDerWaalsContact O-N 3.08Å; L167-L170 HydrophobicContact CB-CB 4.16Å; L167-L170 PolarHBondContact N-O 3.43Å; L167-L170 VanDerWaalsContact N-O 3.13Å; L167-L170 PolarHBondContact O-N 3Å; L167-L170 VanDerWaalsContact O-O 3.04Å; L167-Y262 HydrophobicContact CD1-CD1 4.37Å; L167-Y262 HydrophobicContact CD1-CE1 3.82Å; L167-I263 HydrophobicContact CD1-CD1 3.44Å; L167-I263 VanDerWaalsContact CD1-CD1 3.44Å; L167-I263 HydrophobicContact CD2-CD1 4.47Å; L167-I263 HydrophobicContact CG-CD1 3.86Å; L167-M267 HydrophobicContact CD2-SD 4.14Å; L167-F277 HydrophobicContact CD2-CE1 4.36Å; L167-F277 HydrophobicContact CD2-CZ 4.02Å
168	P	96.9	Very high	87.7	Confident	88 Å²	88	49.5 Å²	49.5	57%	0.571	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-36.4	-175.5	-29.8	37.4	0	0	0	114.6	R243	P168-R243 WeakPolarHBondContact O-CD 3.22Å
169	H	97.6	Very high	90.1	Very high	26 Å²	26	46.1 Å²	46.1	12%	0.12	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	2.6	179.9	64.1	-72.3	0	0	0	114.4	L167 K238 R243 V244 Y262	L167-H169 PolarHBondContact O-N 3.45Å; L167-H169 VanDerWaalsContact O-N 3.08Å; H169-K238 HydrophobicContact CB-CG 4.36Å; H169-R243 WeakPolarHBondContact O-CA 3.5Å; H169-V244 PolarHBondContact O-N 3.32Å; H169-Y262 AromaticContact NE2-CE1 3.74Å; H169-Y262 AromaticContact NE2-CZ 3.52Å; H169-Y262 PolarHBondContact NE2-OH 3.01Å
170	L	98.6	Very high	92.7	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	122.1	-173.7	177.6	63.6	0	0	0	112.5	I166 L167 I234 V246 Y262	I166-L170 HydrophobicContact CB-CD2 4.46Å; I166-L170 HydrophobicContact CB-CG 4.38Å; I166-L170 PolarHBondContact N-O 3.27Å; L167-L170 HydrophobicContact CB-CB 4.16Å; L167-L170 PolarHBondContact N-O 3.43Å; L167-L170 VanDerWaalsContact N-O 3.13Å; L167-L170 PolarHBondContact O-N 3Å; L167-L170 VanDerWaalsContact O-O 3.04Å; L170-I234 HydrophobicContact CD1-CD1 4.24Å; L170-I234 HydrophobicContact CD1-CG2 4.28Å; L170-V246 HydrophobicContact CD1-CB 4.39Å; L170-V246 HydrophobicContact CD1-CG2 3.5Å; L170-V246 VanDerWaalsContact CD1-CG2 3.5Å; L170-Y262 HydrophobicContact CD2-CD1 3.39Å; L170-Y262 HydrophobicContact CD2-CE1 3.84Å; L170-Y262 HydrophobicContact CD2-CG 4.08Å
171	Y	98.8	Very high	95	Very high	10 Å²	10	47 Å²	47	4%	0.039	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	147.5	177.1	-72.8	-109	0	0	0	111.2	P163 T164 R165 N187 I189 R243 V244 V246	P163-Y171 HydrophobicContact CB-CD1 4.44Å; P163-Y171 HydrophobicContact CG-CD1 4.21Å; T164-Y171 CarbonylContact O-C 3.42Å; T164-Y171 VanDerWaalsContact O-CA 3.31Å; T164-Y171 WeakPolarHBondContact O-CA 3.31Å; R165-Y171 HydrophobicContact CB-CD1 3.95Å; R165-Y171 HydrophobicContact CB-CE1 3.63Å; R165-Y171 HydrophobicContact CB-CE2 4.38Å; R165-Y171 HydrophobicContact CB-CG 4.49Å; R165-Y171 WeakPolarHBondContact CD-OH 3.44Å; R165-Y171 HydrophobicContact CG-CD1 4.41Å; R165-Y171 HydrophobicContact CG-CD2 4.3Å; R165-Y171 HydrophobicContact CG-CE1 3.99Å; R165-Y171 HydrophobicContact CG-CE2 3.82Å; Y171-N187 HydrophobicContact CE1-CB 3.94Å; Y171-N187 WeakPolarHBondContact CE1-OD1 3.5Å; Y171-N187 PolarHBondContact OH-OD1 2.91Å; Y171-I189 HydrophobicContact CD1-CD1 4.12Å; Y171-I189 HydrophobicContact CD2-CD1 4.33Å; Y171-I189 HydrophobicContact CD2-CG1 4.34Å; Y171-I189 HydrophobicContact CG-CD1 4Å; Y171-R243 HydrophobicContact CE2-CB 4.45Å; Y171-V244 PolarHBondContact N-O 2.77Å; Y171-V246 PolarHBondContact O-N 3.23Å
172	L	98.8	Very high	96.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	122	179.8	172.6	59.2	0	0	0	110.7	P163 T164 I166 V246 S255 A256 A259 V278 R282 I285	P163-L172 CarbonylContact C-O 3.54Å; P163-L172 WeakPolarHBondContact CA-O 3.41Å; T164-L172 PolarHBondContact N-O 2.91Å; T164-L172 PolarHBondContact O-N 3.13Å; I166-L172 HydrophobicContact CD1-CB 3.99Å; I166-L172 HydrophobicContact CD1-CD2 4.25Å; I166-L172 HydrophobicContact CG1-CB 3.66Å; L172-V246 WeakPolarHBondContact CA-O 3.46Å; L172-S255 WeakPolarHBondContact CD1-OG 3.47Å; L172-A256 HydrophobicContact CD2-CB 4.17Å; L172-A259 HydrophobicContact CD1-CB 4.37Å; L172-A259 HydrophobicContact CD2-CB 4.18Å; L172-V278 HydrophobicContact CD2-CG1 3.61Å; L172-R282 PolarHBondContact O-NH1 3.06Å; L172-I285 HydrophobicContact CD2-CG2 3.86Å
173	G	97.4	Very high	96.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	-165.3	-175.4	0	0	0	0	0	116.2	D177 V246 H247 C248 G251 S255	G173-D177 VanDerWaalsContact CA-OD2 3.23Å; G173-D177 WeakPolarHBondContact CA-OD2 3.45Å; G173-V246 PolarHBondContact N-O 2.93Å; G173-V246 VanDerWaalsContact N-O 3.07Å; G173-H247 VanDerWaalsContact O-CA 3.29Å; G173-H247 WeakPolarHBondContact O-CA 3.47Å; G173-H247 WeakPolarHBondContact O-CB 3.5Å; G173-C248 PolarHBondContact O-N 3.24Å; G173-G251 WeakPolarHBondContact O-CA 3.45Å; G173-S255 PolarHBondContact O-OG 3.44Å
174	C	95.9	Very high	96.4	Very high	13 Å²	13	45.3 Å²	45.3	9%	0.088	21%	0.214	C	C	.	.			trans	-119.5	178.4	-177.2	74.2	0	0	0	0	112	R176 D177 C248 L249 A250	C174-R176 VanDerWaalsContact C-N 3.26Å; C174-R176 PolarHBondContact O-N 3.47Å; C174-D177 PolarHBondContact N-OD2 3.45Å; C174-D177 PolarHBondContact O-N 3.11Å; C174-D177 PolarHBondContact SG-OD2 2.98Å; C174-C248 CarbonylContact C-O 3.29Å; C174-C248 VanDerWaalsContact C-O 3.29Å; C174-C248 WeakPolarHBondContact CA-O 3.25Å; C174-L249 WeakPolarHBondContact CB-O 3.21Å; C174-A250 WeakPolarHBondContact CB-O 3.23Å
175	Q	96	Very high	96.3	Very high	51 Å²	51	49.7 Å²	49.7	24%	0.238	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-31.9	179.9	-179.8	178.3	-31	0	0	112.7	D177 V178 L179 C199 C248 L249	Q175-D177 VanDerWaalsContact C-N 3.31Å; Q175-D177 PolarHBondContact O-N 2.87Å; Q175-V178 VanDerWaalsContact O-CG1 3.32Å; Q175-V178 WeakPolarHBondContact O-CG1 3.42Å; Q175-L179 HydrophobicContact CG-CD1 3.88Å; Q175-L179 HydrophobicContact CG-CG 4.46Å; Q175-L179 WeakPolarHBondContact O-CG 3.48Å; Q175-L179 PolarHBondContact O-N 3.2Å; Q175-C199 HydrophobicContact CB-CB 4.42Å; Q175-C199 HydrophobicContact CG-CB 4.13Å; Q175-C199 PolarHBondContact OE1-SG 3.27Å; Q175-C248 PolarHBondContact N-O 2.91Å; Q175-L249 HydrophobicContact CB-CD1 4.36Å; Q175-L249 PolarHBondContact N-O 2.98Å; Q175-L249 VanDerWaalsContact OE1-CD1 3.32Å
176	R	95.2	Very high	96.2	Very high	162 Å²	162	49.6 Å²	49.6	61%	0.611	24%	0.238	S	C	*	.	H	α-helix	trans	-65.7	-35.4	177.4	176.5	168.9	61.4	-157.9	-0.7	112.2	S160 C174 N180	S160-R176 PolarHBondContact OG-NH2 2.7Å; C174-R176 VanDerWaalsContact C-N 3.26Å; C174-R176 PolarHBondContact O-N 3.47Å; R176-N180 PolarHBondContact O-N 3.12Å
177	D	95.8	Very high	96	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.027	25%	0.248	C	C	.	.	H	α-helix	trans	-69.4	-45	-176	-54.5	-34.9	0	0	0	111	G162 P163 G173 C174 Q175 L179 N180 L245	G162-D177 WeakPolarHBondContact CA-OD1 3.42Å; P163-D177 HydrophobicContact CB-CB 4.02Å; P163-D177 HydrophobicContact CG-CB 4.14Å; G173-D177 VanDerWaalsContact CA-OD2 3.23Å; G173-D177 WeakPolarHBondContact CA-OD2 3.45Å; C174-D177 PolarHBondContact N-OD2 3.45Å; C174-D177 PolarHBondContact O-N 3.11Å; C174-D177 PolarHBondContact SG-OD2 2.98Å; Q175-D177 VanDerWaalsContact C-N 3.31Å; Q175-D177 PolarHBondContact O-N 2.87Å; D177-L179 VanDerWaalsContact C-N 3.3Å; D177-L179 PolarHBondContact O-N 3.45Å; D177-N180 PolarHBondContact O-N 3.01Å; D177-L245 HydrophobicContact CB-CD2 4.31Å
178	V	96.1	Very high	96	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-72.6	-19.5	-179.4	69.4	0	0	0	0	113.8	Q175 M184 V192 P202 F204 L245	Q175-V178 VanDerWaalsContact O-CG1 3.32Å; Q175-V178 WeakPolarHBondContact O-CG1 3.42Å; V178-M184 HydrophobicContact CG2-CE 4.3Å; V178-V192 HydrophobicContact CG2-CB 4.43Å; V178-V192 HydrophobicContact CG2-CG1 3.76Å; V178-V192 HydrophobicContact CG2-CG2 3.69Å; V178-P202 HydrophobicContact CG2-CG 3.89Å; V178-F204 WeakPolarHBondContact O-CZ 3.38Å; V178-L245 HydrophobicContact CB-CD2 3.73Å; V178-L245 HydrophobicContact CG2-CD2 4.2Å
179	L	93.8	Very high	96.1	Very high	85 Å²	85	50.8 Å²	50.8	45%	0.445	24%	0.24	S	C	.	.	H	α-helix	trans	-86.9	-11.3	174.8	-69.8	175.6	0	0	0	113.1	Q175 D177 K181 P200	Q175-L179 HydrophobicContact CG-CD1 3.88Å; Q175-L179 HydrophobicContact CG-CG 4.46Å; Q175-L179 WeakPolarHBondContact O-CG 3.48Å; Q175-L179 PolarHBondContact O-N 3.2Å; D177-L179 VanDerWaalsContact C-N 3.3Å; D177-L179 PolarHBondContact O-N 3.45Å; L179-K181 PolarHBondContact O-N 3.36Å; L179-P200 HydrophobicContact CD2-CG 4.31Å
180	N	94.3	Very high	96.1	Very high	67 Å²	67	51.6 Å²	51.6	36%	0.358	25%	0.251	S	S	.	.			trans	-88.2	98.3	175.9	-173	-41.2	0	0	0	109.7	R176 D177 E182 L183 M184	R176-N180 PolarHBondContact O-N 3.12Å; D177-N180 PolarHBondContact O-N 3.01Å; N180-E182 PolarHBondContact O-N 3.12Å; N180-E182 PolarHBondContact OD1-N 2.97Å; N180-L183 HydrophobicContact CB-CB 3.98Å; N180-L183 VanDerWaalsContact CG-CB 3.49Å; N180-L183 PolarHBondContact O-N 2.89Å; N180-L183 WeakPolarHBondContact OD1-CB 3.49Å; N180-L183 PolarHBondContact OD1-N 3.36Å; N180-M184 WeakPolarHBondContact O-CB 3.46Å; N180-M184 WeakPolarHBondContact O-CG 3.49Å; N180-M184 PolarHBondContact O-N 2.71Å
181	K	95.3	Very high	96.1	Very high	89 Å²	89	52.2 Å²	52.2	39%	0.387	25%	0.254	S	S	.	.	H	α-helix	trans	-63.5	-42.2	-175.2	-176.5	-174.8	175.9	-170.9	0	112.1	L179 L183 M184 Q185 F204	L179-K181 PolarHBondContact O-N 3.36Å; K181-L183 VanDerWaalsContact C-N 3.34Å; K181-L183 PolarHBondContact O-N 3.24Å; K181-M184 PolarHBondContact O-N 3.32Å; K181-Q185 WeakPolarHBondContact O-CG 3.48Å; K181-Q185 PolarHBondContact O-N 2.7Å; K181-F204 HydrophobicContact CB-CD1 4.03Å; K181-F204 HydrophobicContact CB-CE1 3.69Å; K181-F204 HydrophobicContact CB-CZ 4.02Å; K181-F204 HydrophobicContact CD-CD1 4.19Å; K181-F204 HydrophobicContact CD-CG 4.41Å; K181-F204 HydrophobicContact CG-CD1 3.89Å; K181-F204 HydrophobicContact CG-CD2 4.33Å; K181-F204 HydrophobicContact CG-CE1 4.01Å; K181-F204 HydrophobicContact CG-CE2 4.43Å; K181-F204 HydrophobicContact CG-CG 4.06Å; K181-F204 HydrophobicContact CG-CZ 4.28Å
182	E	94.6	Very high	96.1	Very high	108 Å²	108	51.7 Å²	51.7	51%	0.505	25%	0.252	S	S	.	.	H	α-helix	trans	-64.1	-43.3	-177.4	-65.6	60.7	-133.5	0	0	110.1	N180 Q185 Q186	N180-E182 PolarHBondContact O-N 3.12Å; N180-E182 PolarHBondContact OD1-N 2.97Å; E182-Q185 PolarHBondContact O-N 3.07Å; E182-Q186 WeakPolarHBondContact O-CB 3.35Å; E182-Q186 WeakPolarHBondContact O-CG 3.46Å; E182-Q186 PolarHBondContact O-N 3.41Å
183	L	93.9	Very high	96.1	Very high	29 Å²	29	51.7 Å²	51.7	15%	0.152	25%	0.252	C	S	.	.	H	α-helix	trans	-67	-41.9	175.7	-175.7	149.9	0	0	0	112.2	P163 N180 K181 Q185 Q186 N187	P163-L183 HydrophobicContact CG-CD2 3.6Å; N180-L183 HydrophobicContact CB-CB 3.98Å; N180-L183 VanDerWaalsContact CG-CB 3.49Å; N180-L183 PolarHBondContact O-N 2.89Å; N180-L183 WeakPolarHBondContact OD1-CB 3.49Å; N180-L183 PolarHBondContact OD1-N 3.36Å; K181-L183 VanDerWaalsContact C-N 3.34Å; K181-L183 PolarHBondContact O-N 3.24Å; L183-Q185 VanDerWaalsContact C-N 3.27Å; L183-Q185 PolarHBondContact O-N 3.09Å; L183-Q186 PolarHBondContact O-N 2.82Å; L183-N187 PolarHBondContact O-N 2.82Å; L183-N187 VanDerWaalsContact O-N 3.13Å; L183-N187 PolarHBondContact O-ND2 2.71Å
184	M	96.1	Very high	96.2	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-59.4	-41.6	176.5	-73.8	-78.6	-69.9	0	0	110.7	V178 N180 K181 D188 I189 V192 F204 V205 L245	V178-M184 HydrophobicContact CG2-CE 4.3Å; N180-M184 WeakPolarHBondContact O-CB 3.46Å; N180-M184 WeakPolarHBondContact O-CG 3.49Å; N180-M184 PolarHBondContact O-N 2.71Å; K181-M184 PolarHBondContact O-N 3.32Å; M184-D188 PolarHBondContact O-N 3.46Å; M184-I189 HydrophobicContact CE-CB 3.93Å; M184-I189 HydrophobicContact CE-CG2 3.46Å; M184-I189 VanDerWaalsContact CE-CG2 3.46Å; M184-I189 PolarHBondContact O-N 3.49Å; M184-I189 HydrophobicContact SD-CB 3.91Å; M184-I189 HydrophobicContact SD-CD1 4Å; M184-I189 HydrophobicContact SD-CG2 3.74Å; M184-V192 HydrophobicContact CE-CG2 3.57Å; M184-F204 HydrophobicContact CB-CE2 4.02Å; M184-F204 HydrophobicContact CB-CZ 4.33Å; M184-F204 HydrophobicContact CE-CE2 4.22Å; M184-F204 HydrophobicContact CG-CE2 4.1Å; M184-F204 HydrophobicContact CG-CZ 4.07Å; M184-V205 HydrophobicContact CE-CG2 4.39Å; M184-L245 HydrophobicContact SD-CB 4.4Å; M184-L245 HydrophobicContact SD-CD2 3.59Å; M184-L245 VanDerWaalsContact SD-CD2 3.59Å
185	Q	95.3	Very high	96.3	Very high	122 Å²	122	51.1 Å²	51.1	57%	0.57	25%	0.248	S	C	*	.	H	α-helix	trans	-67.4	-46.2	173.7	-71.2	179.5	-26.7	0	0	112.4	K181 E182 L183 N187 D188	K181-Q185 WeakPolarHBondContact O-CG 3.48Å; K181-Q185 PolarHBondContact O-N 2.7Å; E182-Q185 PolarHBondContact O-N 3.07Å; L183-Q185 VanDerWaalsContact C-N 3.27Å; L183-Q185 PolarHBondContact O-N 3.09Å; Q185-N187 PolarHBondContact O-N 3.44Å; Q185-N187 VanDerWaalsContact O-N 3.09Å; Q185-D188 PolarHBondContact O-N 3.05Å
186	Q	94.9	Very high	96.2	Very high	149 Å²	149	48.7 Å²	48.7	70%	0.696	24%	0.236	S	C	*	.	H	α-helix	trans	-59.6	-20.4	177.9	-75.5	165.6	9.9	0	0	114.4	E182 L183	E182-Q186 WeakPolarHBondContact O-CB 3.35Å; E182-Q186 WeakPolarHBondContact O-CG 3.46Å; E182-Q186 PolarHBondContact O-N 3.41Å; L183-Q186 PolarHBondContact O-N 2.82Å
187	N	94.9	Very high	95.8	Very high	40 Å²	40	44.1 Å²	44.1	21%	0.214	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	8.4	178.1	-72.7	-88.9	0	0	0	113	Y171 L183 Q185 I189 R243	Y171-N187 HydrophobicContact CE1-CB 3.94Å; Y171-N187 WeakPolarHBondContact CE1-OD1 3.5Å; Y171-N187 PolarHBondContact OH-OD1 2.91Å; L183-N187 PolarHBondContact O-N 2.82Å; L183-N187 VanDerWaalsContact O-N 3.13Å; L183-N187 PolarHBondContact O-ND2 2.71Å; Q185-N187 PolarHBondContact O-N 3.44Å; Q185-N187 VanDerWaalsContact O-N 3.09Å; N187-I189 HydrophobicContact CB-CD1 3.65Å; N187-I189 HydrophobicContact CB-CG1 3.65Å; N187-I189 PolarHBondContact O-N 2.91Å; N187-R243 WeakPolarHBondContact O-CD 3.15Å; N187-R243 PolarHBondContact O-NH1 2.95Å
188	D	96.7	Very high	95.3	Very high	96 Å²	96	49 Å²	49	51%	0.513	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	37	-175.5	-43.8	-66.3	0	0	0	113.6	M184 Q185 A190 R243	M184-D188 PolarHBondContact O-N 3.46Å; Q185-D188 PolarHBondContact O-N 3.05Å; D188-A190 PolarHBondContact O-N 3.12Å; D188-R243 IonicContact OD2-CZ 3.52Å; D188-R243 IonicContact OD2-NH1 2.67Å; D188-R243 PolarHBondContact OD2-NH1 3.32Å; D188-R243 IonicContact OD2-NH2 3.68Å; D188-R243 PolarHBondContact OD2-NH2 3.43Å
189	I	98	Very high	95.1	Very high	12 Å²	12	48.9 Å²	48.9	6%	0.062	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	97.9	-176.1	-56.4	175.3	0	0	0	109.7	P163 Y171 M184 N187 F191 L245	P163-I189 HydrophobicContact CG-CD1 4.2Å; Y171-I189 HydrophobicContact CD1-CD1 4.12Å; Y171-I189 HydrophobicContact CD2-CD1 4.33Å; Y171-I189 HydrophobicContact CD2-CG1 4.34Å; Y171-I189 HydrophobicContact CG-CD1 4Å; M184-I189 HydrophobicContact CE-CB 3.93Å; M184-I189 HydrophobicContact CE-CG2 3.46Å; M184-I189 VanDerWaalsContact CE-CG2 3.46Å; M184-I189 PolarHBondContact O-N 3.49Å; M184-I189 HydrophobicContact SD-CB 3.91Å; M184-I189 HydrophobicContact SD-CD1 4Å; M184-I189 HydrophobicContact SD-CG2 3.74Å; N187-I189 HydrophobicContact CB-CD1 3.65Å; N187-I189 HydrophobicContact CB-CG1 3.65Å; N187-I189 PolarHBondContact O-N 2.91Å; I189-F191 WeakPolarHBondContact CG2-O 3.43Å; I189-L245 HydrophobicContact CD1-CB 4.32Å; I189-L245 HydrophobicContact CG2-CB 3.64Å
190	A	97.3	Very high	94.9	Very high	43 Å²	43	47.7 Å²	47.7	36%	0.355	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-14	-179.7	0	0	0	0	0	114.3	D188 H209 R243	D188-A190 PolarHBondContact O-N 3.12Å; A190-H209 VanDerWaalsContact O-CB 3.31Å; A190-H209 WeakPolarHBondContact O-CB 3.09Å; A190-H209 PolarHBondContact O-ND1 3.03Å; A190-R243 PolarHBondContact N-O 3.02Å; A190-R243 VanDerWaalsContact N-O 3.16Å
191	F	98.7	Very high	94.9	Very high	12 Å²	12	47.2 Å²	47.2	5%	0.053	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.3	-174.9	-71	-100.4	0	0	0	112.6	I189 H209 F233 A237 R243 V244 L245	I189-F191 WeakPolarHBondContact CG2-O 3.43Å; F191-H209 WeakPolarHBondContact CA-O 3.15Å; F191-H209 HydrophobicContact CD1-CB 3.59Å; F191-H209 AromaticContact CD1-CG 3.79Å; F191-H209 HydrophobicContact CE1-CB 3.84Å; F191-H209 AromaticContact CE1-CD2 3.51Å; F191-H209 AromaticContact CE1-CG 3.54Å; F191-H209 AromaticContact CE2-CE1 3.91Å; F191-H209 AromaticContact CE2-ND1 3.83Å; F191-H209 HydrophobicContact CG-CB 4.02Å; F191-H209 HydrophobicContact CZ-CB 4.46Å; F191-H209 AromaticContact CZ-CD2 3.64Å; F191-H209 AromaticContact CZ-CE1 3.74Å; F191-H209 AromaticContact CZ-CG 3.74Å; F191-H209 AromaticContact CZ-ND1 3.79Å; F191-H209 AromaticContact CZ-NE2 3.68Å; F191-F233 HydrophobicContact CB-CE1 4.44Å; F191-F233 HydrophobicContact CB-CZ 4.32Å; F191-F233 HydrophobicContact CD1-CE2 4.3Å; F191-F233 HydrophobicContact CD1-CZ 4.02Å; F191-A237 HydrophobicContact CB-CB 4.09Å; F191-A237 HydrophobicContact CD1-CB 3.69Å; F191-A237 HydrophobicContact CD2-CB 3.63Å; F191-A237 HydrophobicContact CE1-CB 3.94Å; F191-A237 HydrophobicContact CE2-CB 3.89Å; F191-A237 HydrophobicContact CG-CB 3.53Å; F191-A237 HydrophobicContact CZ-CB 4.04Å; F191-R243 PolarHBondContact N-O 2.78Å; F191-V244 HydrophobicContact CB-CB 4.28Å; F191-V244 HydrophobicContact CB-CG1 4.29Å; F191-V244 HydrophobicContact CB-CG2 3.88Å; F191-V244 WeakPolarHBondContact O-CA 3.34Å; F191-L245 PolarHBondContact O-N 2.88Å
192	V	98.8	Very high	94.9	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	125.8	-178.4	171.3	0	0	0	0	111.6	V178 M184 V205 H209 F210 L211	V178-V192 HydrophobicContact CG2-CB 4.43Å; V178-V192 HydrophobicContact CG2-CG1 3.76Å; V178-V192 HydrophobicContact CG2-CG2 3.69Å; M184-V192 HydrophobicContact CE-CG2 3.57Å; V192-V205 HydrophobicContact CB-CG1 4.42Å; V192-V205 HydrophobicContact CG2-CG1 4.29Å; V192-V205 HydrophobicContact CG2-CG2 3.95Å; V192-H209 PolarHBondContact N-O 3.14Å; V192-F210 HydrophobicContact CB-CD2 4.02Å; V192-F210 HydrophobicContact CG1-CD2 3.82Å; V192-F210 HydrophobicContact CG1-CE2 3.84Å; V192-F210 WeakPolarHBondContact O-CA 3.09Å; V192-L211 PolarHBondContact O-N 3.08Å
193	L	98.9	Very high	94.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	111.7	168.6	-162.8	171	0	0	0	109.4	A195 L211 V213 F233 I234 V244 L245 V246 H247 I258	L193-A195 HydrophobicContact CD2-CB 4.47Å; L193-L211 CarbonylContact C-O 3.11Å; L193-L211 WeakPolarHBondContact CA-O 3.44Å; L193-L211 HydrophobicContact CD1-CD2 4.16Å; L193-L211 HydrophobicContact CG-CB 4.31Å; L193-L211 HydrophobicContact CG-CD2 4.14Å; L193-L211 HydrophobicContact CG-CG 4.31Å; L193-V213 HydrophobicContact CD2-CB 4.28Å; L193-V213 HydrophobicContact CD2-CG2 3.71Å; L193-V213 HydrophobicContact CG-CG2 4.49Å; L193-F233 HydrophobicContact CB-CD1 4.18Å; L193-F233 HydrophobicContact CB-CE1 3.95Å; L193-F233 HydrophobicContact CD1-CD1 4.09Å; L193-F233 HydrophobicContact CG-CD1 4.33Å; L193-I234 HydrophobicContact CD1-CD1 4.4Å; L193-I234 HydrophobicContact CD1-CG1 4.42Å; L193-V244 HydrophobicContact CB-CG1 4.39Å; L193-L245 PolarHBondContact N-O 3.19Å; L193-V246 HydrophobicContact CB-CG2 4.1Å; L193-V246 HydrophobicContact CD1-CG2 4.33Å; L193-V246 HydrophobicContact CD2-CG1 4.42Å; L193-V246 WeakPolarHBondContact O-CA 3.48Å; L193-H247 PolarHBondContact O-CD2 2.92Å; L193-H247 PolarHBondContact O-N 3.36Å; L193-I258 HydrophobicContact CD1-CG2 4.2Å; L193-I258 HydrophobicContact CD2-CD1 3.88Å
194	N	98.8	Very high	95	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	97.3	-175.8	-177.1	-24.3	0	0	0	110.8	S196 C199 P200 F210 L211 R212 V213 H247	N194-S196 PolarHBondContact O-N 2.97Å; N194-S196 PolarHBondContact OD1-N 3.45Å; N194-S196 PolarHBondContact OD1-OG 2.85Å; N194-C199 PolarHBondContact ND2-O 2.74Å; N194-P200 PolarHBondContact ND2-O 2.66Å; N194-P200 VanDerWaalsContact ND2-O 3.11Å; N194-F210 HydrophobicContact CB-CE2 3.57Å; N194-F210 HydrophobicContact CB-CZ 3.71Å; N194-L211 PolarHBondContact N-O 3.2Å; N194-R212 PolarHBondContact ND2-NH1 2.63Å; N194-R212 WeakPolarHBondContact O-CA 3.2Å; N194-R212 PolarHBondContact OD1-NH1 2.77Å; N194-V213 PolarHBondContact O-N 2.95Å; N194-H247 VanDerWaalsContact CB-NE2 3.27Å; N194-H247 WeakPolarHBondContact CB-NE2 3.3Å; N194-H247 VanDerWaalsContact CG-NE2 3.27Å; N194-H247 PolarHBondContact ND2-NE2 2.62Å
195	A	98.6	Very high	95	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.254	C	S	.	.			trans	-82.1	63	176.6	0	0	0	0	0	111.3	L193 V213 V215 H247 C248 R254 I258	L193-A195 HydrophobicContact CD2-CB 4.47Å; A195-V213 CarbonylContact C-O 3.43Å; A195-V213 WeakPolarHBondContact CA-O 3.36Å; A195-V215 HydrophobicContact CB-CG2 4.4Å; A195-H247 PolarHBondContact N-O 3.5Å; A195-C248 HydrophobicContact CB-CB 4.28Å; A195-C248 VanDerWaalsContact O-CB 3.25Å; A195-C248 WeakPolarHBondContact O-CB 3.32Å; A195-R254 HydrophobicContact CB-CB 4.05Å; A195-R254 WeakPolarHBondContact O-CD 3.42Å; A195-I258 HydrophobicContact CB-CD1 3.81Å
196	S	94.8	Very high	95	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.246	C	C	.	.			trans	-160.8	162.1	175.1	81.1	0	0	0	0	113.9	N194 T198 C199 R212 V213	N194-S196 PolarHBondContact O-N 2.97Å; N194-S196 PolarHBondContact OD1-N 3.45Å; N194-S196 PolarHBondContact OD1-OG 2.85Å; S196-T198 PolarHBondContact OG-N 3.07Å; S196-C199 VanDerWaalsContact OG-CB 3.23Å; S196-C199 WeakPolarHBondContact OG-CB 3.35Å; S196-C199 PolarHBondContact OG-N 2.99Å; S196-C199 PolarHBondContact OG-SG 3.11Å; S196-R212 WeakPolarHBondContact O-CD 3.37Å; S196-R212 WeakPolarHBondContact O-CG 3.2Å; S196-R212 PolarHBondContact O-NH1 3.3Å; S196-V213 PolarHBondContact N-O 3.44Å
197	N	86.4	Confident	95.1	Very high	67 Å²	67	44 Å²	44	36%	0.358	24%	0.241	S	C	.	.	S	Bend	trans	-83.8	-25.2	167.4	-70.4	-45.1	0	0	0	113.9	P214 N216	N197-P214 PolarHBondContact ND2-O 2.88Å; N197-P214 WeakPolarHBondContact OD1-CA 3.38Å; N197-P214 WeakPolarHBondContact OD1-CB 3.48Å; N197-P214 PolarHBondContact OD1-O 3.31Å; N197-N216 VanDerWaalsContact ND2-CG 3.28Å; N197-N216 PolarHBondContact ND2-ND2 3.06Å; N197-N216 VanDerWaalsContact ND2-ND2 3.19Å; N197-N216 PolarHBondContact ND2-OD1 2.79Å
198	T	85.7	Confident	95.1	Very high	106 Å²	106	46.1 Å²	46.1	65%	0.65	26%	0.26	S	S	*	.	S	Bend	trans	-114.3	-22.9	-164	52.5	0	0	0	0	115.8	S196	S196-T198 PolarHBondContact OG-N 3.07Å
199	C	90.7	Very high	95.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-71.4	132	178.5	-49.1	0	0	0	0	108.5	Q175 N194 S196 R212 L249	Q175-C199 HydrophobicContact CB-CB 4.42Å; Q175-C199 HydrophobicContact CG-CB 4.13Å; Q175-C199 PolarHBondContact OE1-SG 3.27Å; N194-C199 PolarHBondContact ND2-O 2.74Å; S196-C199 VanDerWaalsContact OG-CB 3.23Å; S196-C199 WeakPolarHBondContact OG-CB 3.35Å; S196-C199 PolarHBondContact OG-N 2.99Å; S196-C199 PolarHBondContact OG-SG 3.11Å; C199-R212 PolarHBondContact O-NH1 3.45Å; C199-R212 PolarHBondContact O-NH2 3Å; C199-L249 VanDerWaalsContact SG-CA 3.59Å
200	P	90.3	Very high	95.2	Very high	60 Å²	60	44.9 Å²	44.9	39%	0.39	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-65.3	167.4	178.3	28.6	-35.7	0	0	0	112	L179 N194	L179-P200 HydrophobicContact CD2-CG 4.31Å; N194-P200 PolarHBondContact ND2-O 2.66Å; N194-P200 VanDerWaalsContact ND2-O 3.11Å
201	K	95.3	Very high	95.3	Very high	56 Å²	56	43.4 Å²	43.4	24%	0.243	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-82.5	135.9	160.5	-173.8	-173.5	72.1	64.9	0	107.4	V205 E207 F210	K201-V205 PolarHBondContact NZ-O 3.3Å; K201-E207 WeakPolarHBondContact CD-OE2 3.31Å; K201-E207 WeakPolarHBondContact CE-OE2 3.45Å; K201-F210 HydrophobicContact CB-CD1 4.41Å; K201-F210 HydrophobicContact CB-CD2 4.41Å; K201-F210 HydrophobicContact CB-CE1 4.04Å; K201-F210 HydrophobicContact CB-CE2 4.03Å; K201-F210 HydrophobicContact CB-CZ 3.83Å; K201-F210 HydrophobicContact CD-CB 3.92Å; K201-F210 HydrophobicContact CD-CD1 3.66Å; K201-F210 HydrophobicContact CD-CD2 4.08Å; K201-F210 HydrophobicContact CD-CE1 4.15Å; K201-F210 HydrophobicContact CD-CG 3.62Å; K201-F210 HydrophobicContact CG-CB 4.41Å; K201-F210 HydrophobicContact CG-CD1 3.96Å; K201-F210 HydrophobicContact CG-CD2 3.66Å; K201-F210 HydrophobicContact CG-CE1 4.07Å; K201-F210 HydrophobicContact CG-CE2 3.77Å; K201-F210 HydrophobicContact CG-CG 3.75Å; K201-F210 HydrophobicContact CG-CZ 3.98Å
202	P	93.9	Very high	95.3	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.013	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-65.3	143.3	169	29.5	-36.9	0	0	0	110.8	V178 F204 V205	V178-P202 HydrophobicContact CG2-CG 3.89Å; P202-F204 VanDerWaalsContact C-N 3.3Å; P202-F204 HydrophobicContact CB-CD1 4.05Å; P202-F204 HydrophobicContact CB-CE1 3.64Å; P202-F204 HydrophobicContact CB-CE2 4.23Å; P202-F204 HydrophobicContact CB-CZ 3.74Å; P202-F204 HydrophobicContact CG-CZ 4.39Å; P202-F204 PolarHBondContact O-N 2.82Å; P202-V205 HydrophobicContact CB-CG2 4.42Å; P202-V205 HydrophobicContact CG-CB 3.94Å; P202-V205 HydrophobicContact CG-CG2 3.56Å; P202-V205 PolarHBondContact O-N 3.13Å
203	D	94.8	Very high	95.3	Very high	155 Å²	155	46.5 Å²	46.5	83%	0.829	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-33.5	-176	-54.6	-58.1	0	0	0	112.5	V205	D203-V205 VanDerWaalsContact C-N 3.28Å; D203-V205 PolarHBondContact O-N 3.15Å
204	F	95.3	Very high	95.2	Very high	79 Å²	79	48.8 Å²	48.8	35%	0.346	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-1.9	-177.4	60.6	-98.2	0	0	0	115.2	V178 K181 M184 P202	V178-F204 WeakPolarHBondContact O-CZ 3.38Å; K181-F204 HydrophobicContact CB-CD1 4.03Å; K181-F204 HydrophobicContact CB-CE1 3.69Å; K181-F204 HydrophobicContact CB-CZ 4.02Å; K181-F204 HydrophobicContact CD-CD1 4.19Å; K181-F204 HydrophobicContact CD-CG 4.41Å; K181-F204 HydrophobicContact CG-CD1 3.89Å; K181-F204 HydrophobicContact CG-CD2 4.33Å; K181-F204 HydrophobicContact CG-CE1 4.01Å; K181-F204 HydrophobicContact CG-CE2 4.43Å; K181-F204 HydrophobicContact CG-CG 4.06Å; K181-F204 HydrophobicContact CG-CZ 4.28Å; M184-F204 HydrophobicContact CB-CE2 4.02Å; M184-F204 HydrophobicContact CB-CZ 4.33Å; M184-F204 HydrophobicContact CE-CE2 4.22Å; M184-F204 HydrophobicContact CG-CE2 4.1Å; M184-F204 HydrophobicContact CG-CZ 4.07Å; P202-F204 VanDerWaalsContact C-N 3.3Å; P202-F204 HydrophobicContact CB-CD1 4.05Å; P202-F204 HydrophobicContact CB-CE1 3.64Å; P202-F204 HydrophobicContact CB-CE2 4.23Å; P202-F204 HydrophobicContact CB-CZ 3.74Å; P202-F204 HydrophobicContact CG-CZ 4.39Å; P202-F204 PolarHBondContact O-N 2.82Å
205	V	96.1	Very high	94.9	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.03	26%	0.262	C	S	.	.	S	Bend	trans	-104.2	124	174.2	179.6	0	0	0	0	109.3	M184 V192 K201 P202 D203 H209	M184-V205 HydrophobicContact CE-CG2 4.39Å; V192-V205 HydrophobicContact CB-CG1 4.42Å; V192-V205 HydrophobicContact CG2-CG1 4.29Å; V192-V205 HydrophobicContact CG2-CG2 3.95Å; K201-V205 PolarHBondContact NZ-O 3.3Å; P202-V205 HydrophobicContact CB-CG2 4.42Å; P202-V205 HydrophobicContact CG-CB 3.94Å; P202-V205 HydrophobicContact CG-CG2 3.56Å; P202-V205 PolarHBondContact O-N 3.13Å; D203-V205 VanDerWaalsContact C-N 3.28Å; D203-V205 PolarHBondContact O-N 3.15Å; V205-H209 HydrophobicContact CG1-CB 4.12Å
206	P	96.5	Very high	94.3	Very high	65 Å²	65	52.6 Å²	52.6	42%	0.422	28%	0.283	S	S	.	.			trans	-70.1	151.4	179.4	30.7	-35.3	0	0	0	111.1	S208 H209 F210	P206-S208 PolarHBondContact O-N 2.87Å; P206-H209 HydrophobicContact CG-CB 4Å; P206-H209 CarbonylContact O-C 3.59Å; P206-H209 PolarHBondContact O-N 3.4Å; P206-F210 PolarHBondContact O-N 2.85Å
207	E	95.8	Very high	94	Very high	125 Å²	125	55.9 Å²	55.9	58%	0.584	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-61.1	-29.1	-177.3	-159.1	63.8	-157.7	0	0	112.6	K201 H209 F210	K201-E207 WeakPolarHBondContact CD-OE2 3.31Å; K201-E207 WeakPolarHBondContact CE-OE2 3.45Å; E207-H209 PolarHBondContact O-N 3.26Å; E207-F210 PolarHBondContact O-N 2.94Å; E207-F210 VanDerWaalsContact O-N 3.16Å
208	S	96.8	Very high	93.7	Very high	86 Å²	86	54.2 Å²	54.2	60%	0.601	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-60.7	-23.7	172.9	52.9	0	0	0	0	114.1	P206	P206-S208 PolarHBondContact O-N 2.87Å
209	H	98.1	Very high	93.5	Very high	60 Å²	60	56.7 Å²	56.7	28%	0.278	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-110.3	16	180	-64.4	-166.3	0	0	0	112.1	A190 F191 V192 V205 P206 E207 F233	A190-H209 VanDerWaalsContact O-CB 3.31Å; A190-H209 WeakPolarHBondContact O-CB 3.09Å; A190-H209 PolarHBondContact O-ND1 3.03Å; F191-H209 WeakPolarHBondContact CA-O 3.15Å; F191-H209 HydrophobicContact CD1-CB 3.59Å; F191-H209 AromaticContact CD1-CG 3.79Å; F191-H209 HydrophobicContact CE1-CB 3.84Å; F191-H209 AromaticContact CE1-CD2 3.51Å; F191-H209 AromaticContact CE1-CG 3.54Å; F191-H209 AromaticContact CE2-CE1 3.91Å; F191-H209 AromaticContact CE2-ND1 3.83Å; F191-H209 HydrophobicContact CG-CB 4.02Å; F191-H209 HydrophobicContact CZ-CB 4.46Å; F191-H209 AromaticContact CZ-CD2 3.64Å; F191-H209 AromaticContact CZ-CE1 3.74Å; F191-H209 AromaticContact CZ-CG 3.74Å; F191-H209 AromaticContact CZ-ND1 3.79Å; F191-H209 AromaticContact CZ-NE2 3.68Å; V192-H209 PolarHBondContact N-O 3.14Å; V205-H209 HydrophobicContact CG1-CB 4.12Å; P206-H209 HydrophobicContact CG-CB 4Å; P206-H209 CarbonylContact O-C 3.59Å; P206-H209 PolarHBondContact O-N 3.4Å; E207-H209 PolarHBondContact O-N 3.26Å; H209-F233 WeakPolarHBondContact O-CZ 3.14Å
210	F	98.6	Very high	93	Very high	22 Å²	22	61.9 Å²	61.9	10%	0.096	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138.7	179.3	-176.8	-112.9	0	0	0	111.6	V192 N194 K201 P206 E207 R212	V192-F210 HydrophobicContact CB-CD2 4.02Å; V192-F210 HydrophobicContact CG1-CD2 3.82Å; V192-F210 HydrophobicContact CG1-CE2 3.84Å; V192-F210 WeakPolarHBondContact O-CA 3.09Å; N194-F210 HydrophobicContact CB-CE2 3.57Å; N194-F210 HydrophobicContact CB-CZ 3.71Å; K201-F210 HydrophobicContact CB-CD1 4.41Å; K201-F210 HydrophobicContact CB-CD2 4.41Å; K201-F210 HydrophobicContact CB-CE1 4.04Å; K201-F210 HydrophobicContact CB-CE2 4.03Å; K201-F210 HydrophobicContact CB-CZ 3.83Å; K201-F210 HydrophobicContact CD-CB 3.92Å; K201-F210 HydrophobicContact CD-CD1 3.66Å; K201-F210 HydrophobicContact CD-CD2 4.08Å; K201-F210 HydrophobicContact CD-CE1 4.15Å; K201-F210 HydrophobicContact CD-CG 3.62Å; K201-F210 HydrophobicContact CG-CB 4.41Å; K201-F210 HydrophobicContact CG-CD1 3.96Å; K201-F210 HydrophobicContact CG-CD2 3.66Å; K201-F210 HydrophobicContact CG-CE1 4.07Å; K201-F210 HydrophobicContact CG-CE2 3.77Å; K201-F210 HydrophobicContact CG-CG 3.75Å; K201-F210 HydrophobicContact CG-CZ 3.98Å; P206-F210 PolarHBondContact O-N 2.85Å; E207-F210 PolarHBondContact O-N 2.94Å; E207-F210 VanDerWaalsContact O-N 3.16Å; F210-R212 HydrophobicContact CE1-CB 3.97Å; F210-R212 HydrophobicContact CZ-CB 4.18Å
211	L	98.7	Very high	93.1	Very high	11 Å²	11	61 Å²	61	6%	0.058	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	119.3	167.8	175	61.6	0	0	0	109.9	V192 L193 N194 V213 R229 F233	V192-L211 PolarHBondContact O-N 3.08Å; L193-L211 CarbonylContact C-O 3.11Å; L193-L211 WeakPolarHBondContact CA-O 3.44Å; L193-L211 HydrophobicContact CD1-CD2 4.16Å; L193-L211 HydrophobicContact CG-CB 4.31Å; L193-L211 HydrophobicContact CG-CD2 4.14Å; L193-L211 HydrophobicContact CG-CG 4.31Å; N194-L211 PolarHBondContact N-O 3.2Å; L211-V213 HydrophobicContact CD2-CG2 4.4Å; L211-V213 HydrophobicContact CG-CG2 4.32Å; L211-R229 HydrophobicContact CD2-CG 4.46Å; L211-F233 HydrophobicContact CB-CD1 4.11Å; L211-F233 HydrophobicContact CB-CD2 3.68Å; L211-F233 HydrophobicContact CB-CE1 4.09Å; L211-F233 HydrophobicContact CB-CE2 3.66Å; L211-F233 HydrophobicContact CB-CG 3.9Å; L211-F233 HydrophobicContact CB-CZ 3.86Å; L211-F233 HydrophobicContact CD2-CB 3.62Å; L211-F233 HydrophobicContact CD2-CD1 4.22Å; L211-F233 HydrophobicContact CD2-CD2 4.16Å; L211-F233 HydrophobicContact CD2-CG 3.75Å; L211-F233 HydrophobicContact CG-CG 4.48Å
212	R	98.6	Very high	93	Very high	76 Å²	76	65.2 Å²	65.2	29%	0.287	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.6	164.4	-173	175.8	-63.2	-81.7	0.4	110.4	N194 S196 C199 F210	N194-R212 PolarHBondContact ND2-NH1 2.63Å; N194-R212 WeakPolarHBondContact O-CA 3.2Å; N194-R212 PolarHBondContact OD1-NH1 2.77Å; S196-R212 WeakPolarHBondContact O-CD 3.37Å; S196-R212 WeakPolarHBondContact O-CG 3.2Å; S196-R212 PolarHBondContact O-NH1 3.3Å; C199-R212 PolarHBondContact O-NH1 3.45Å; C199-R212 PolarHBondContact O-NH2 3Å; F210-R212 HydrophobicContact CE1-CB 3.97Å; F210-R212 HydrophobicContact CZ-CB 4.18Å
213	V	98.6	Very high	93.2	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.006	34%	0.34	C	S	.	.			trans	-108.1	101.3	164.5	175.6	0	0	0	0	106.7	L193 N194 A195 S196 L211 V215 W226 S230 I258	L193-V213 HydrophobicContact CD2-CB 4.28Å; L193-V213 HydrophobicContact CD2-CG2 3.71Å; L193-V213 HydrophobicContact CG-CG2 4.49Å; N194-V213 PolarHBondContact O-N 2.95Å; A195-V213 CarbonylContact C-O 3.43Å; A195-V213 WeakPolarHBondContact CA-O 3.36Å; S196-V213 PolarHBondContact N-O 3.44Å; L211-V213 HydrophobicContact CD2-CG2 4.4Å; L211-V213 HydrophobicContact CG-CG2 4.32Å; V213-V215 VanDerWaalsContact C-N 3.28Å; V213-V215 HydrophobicContact CG1-CG1 3.89Å; V213-V215 HydrophobicContact CG1-CG2 3.95Å; V213-V215 PolarHBondContact O-N 3.46Å; V213-W226 HydrophobicContact CG1-CB 3.6Å; V213-W226 HydrophobicContact CG1-CD2 3.95Å; V213-W226 HydrophobicContact CG1-CE3 4.29Å; V213-W226 HydrophobicContact CG1-CG 3.64Å; V213-W226 HydrophobicContact CG2-CB 4.5Å; V213-W226 HydrophobicContact CG2-CE3 4.4Å; V213-S230 WeakPolarHBondContact CG2-OG 3.14Å; V213-I258 HydrophobicContact CB-CD1 4.4Å; V213-I258 HydrophobicContact CG1-CD1 4.29Å; V213-I258 HydrophobicContact CG2-CD1 4.34Å
214	P	96.4	Very high	93.3	Very high	48 Å²	48	59.8 Å²	59.8	31%	0.312	31%	0.31	S	S	.	.			trans	-79.3	68.1	-166.2	32.6	-36.9	0	0	0	112.7	N197 W226	N197-P214 PolarHBondContact ND2-O 2.88Å; N197-P214 WeakPolarHBondContact OD1-CA 3.38Å; N197-P214 WeakPolarHBondContact OD1-CB 3.48Å; N197-P214 PolarHBondContact OD1-O 3.31Å; P214-W226 VanDerWaalsContact CD-CH2 3.49Å; P214-W226 HydrophobicContact CG-CH2 3.66Å; P214-W226 HydrophobicContact CG-CZ2 3.58Å; P214-W226 HydrophobicContact CG-CZ3 4.42Å
215	V	93	Very high	93.4	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.324	C	S	.	.			trans	-118.4	140.9	-173.6	-65.4	0	0	0	0	113.8	A195 V213 E221 I223 R254	A195-V215 HydrophobicContact CB-CG2 4.4Å; V213-V215 VanDerWaalsContact C-N 3.28Å; V213-V215 HydrophobicContact CG1-CG1 3.89Å; V213-V215 HydrophobicContact CG1-CG2 3.95Å; V213-V215 PolarHBondContact O-N 3.46Å; V215-E221 HydrophobicContact CB-CG 3.84Å; V215-E221 HydrophobicContact CG1-CG 4.11Å; V215-I223 HydrophobicContact CG1-CG1 4.48Å; V215-I223 HydrophobicContact CG2-CD1 4.17Å; V215-I223 HydrophobicContact CG2-CG1 4.46Å; V215-R254 HydrophobicContact CG2-CB 4.44Å; V215-R254 HydrophobicContact CG2-CG 4.02Å; V215-R254 WeakPolarHBondContact O-CD 3.06Å; V215-R254 PolarHBondContact O-NH1 3.26Å
216	N	86.3	Confident	93.6	Very high	81 Å²	81	63.8 Å²	63.8	43%	0.433	34%	0.335	S	S	.	.			trans	-88.9	159.6	174.1	-56.2	-69.8	0	0	0	111.3	N197 S218 E221 F291	N197-N216 VanDerWaalsContact ND2-CG 3.28Å; N197-N216 PolarHBondContact ND2-ND2 3.06Å; N197-N216 VanDerWaalsContact ND2-ND2 3.19Å; N197-N216 PolarHBondContact ND2-OD1 2.79Å; N216-S218 PolarHBondContact O-N 3.01Å; N216-E221 WeakPolarHBondContact CB-OE2 3.19Å; N216-E221 PolarHBondContact N-OE2 3.45Å; N216-E221 PolarHBondContact ND2-OE2 3.16Å; N216-E221 WeakPolarHBondContact O-CG 3.4Å; N216-F291 WeakPolarHBondContact O-CZ 3.08Å
217	D	89.1	Confident	93.6	Very high	68 Å²	68	60.7 Å²	60.7	36%	0.364	32%	0.315	S	S	.	.	S	Bend	trans	-91	86.2	173.4	-124.9	-51.5	0	0	0	109.1	S253 R254 N288	D217-S253 WeakPolarHBondContact OD1-CB 3.5Å; D217-S253 PolarHBondContact OD1-OG 2.81Å; D217-S253 WeakPolarHBondContact OD2-CB 3.37Å; D217-R254 WeakPolarHBondContact OD2-CG 3.36Å; D217-R254 IonicContact OD2-CZ 2.74Å; D217-R254 IonicContact OD2-NE 3.76Å; D217-R254 PolarHBondContact OD2-NE 2.99Å; D217-R254 IonicContact OD2-NH2 3.03Å; D217-N288 PolarHBondContact OD1-ND2 3.4Å
218	S	78.4	Confident	93.7	Very high	32 Å²	32	58 Å²	58	22%	0.224	31%	0.305	C	S	.	.	S	Bend	trans	-145.7	161.7	-174.4	91.1	0	0	0	0	113.9	N216 C220 E221 N290	N216-S218 PolarHBondContact O-N 3.01Å; S218-C220 PolarHBondContact O-N 3.38Å; S218-C220 PolarHBondContact OG-N 3.44Å; S218-C220 PolarHBondContact OG-SG 3.47Å; S218-C220 VanDerWaalsContact OG-SG 3.34Å; S218-E221 WeakPolarHBondContact OG-CB 3.25Å; S218-E221 PolarHBondContact OG-N 2.78Å; S218-E221 VanDerWaalsContact OG-N 3.12Å; S218-N290 PolarHBondContact O-ND2 2.97Å
219	F	81.4	Confident	93.8	Very high	158 Å²	158	61.1 Å²	61.1	69%	0.693	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-0.1	178.3	-59.2	-76.3	0	0	0	114.6	N288	F219-N288 HydrophobicContact CE1-CB 4.43Å
220	C	81.6	Confident	93.8	Very high	110 Å²	110	58.2 Å²	58.2	74%	0.743	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.7	-2.6	177.8	56.7	0	0	0	0	113.9	S218	S218-C220 PolarHBondContact O-N 3.38Å; S218-C220 PolarHBondContact OG-N 3.44Å; S218-C220 PolarHBondContact OG-SG 3.47Å; S218-C220 VanDerWaalsContact OG-SG 3.34Å
221	E	91.6	Very high	93.8	Very high	40 Å²	40	57.4 Å²	57.4	19%	0.187	29%	0.287	C	S	.	.			trans	-71.5	142.7	179.7	-173.8	64.1	-83.6	0	0	111.8	V215 N216 S218 N290 F291 Q294	V215-E221 HydrophobicContact CB-CG 3.84Å; V215-E221 HydrophobicContact CG1-CG 4.11Å; N216-E221 WeakPolarHBondContact CB-OE2 3.19Å; N216-E221 PolarHBondContact N-OE2 3.45Å; N216-E221 PolarHBondContact ND2-OE2 3.16Å; N216-E221 WeakPolarHBondContact O-CG 3.4Å; S218-E221 WeakPolarHBondContact OG-CB 3.25Å; S218-E221 PolarHBondContact OG-N 2.78Å; S218-E221 VanDerWaalsContact OG-N 3.12Å; E221-N290 PolarHBondContact N-ND2 3.02Å; E221-N290 PolarHBondContact O-ND2 3.26Å; E221-F291 HydrophobicContact CB-CE1 3.94Å; E221-F291 HydrophobicContact CB-CZ 4.09Å; E221-F291 HydrophobicContact CG-CE1 4.21Å; E221-F291 HydrophobicContact CG-CZ 4.2Å; E221-Q294 PolarHBondContact O-NE2 3.07Å
222	K	93.4	Very high	93.8	Very high	146 Å²	146	61.5 Å²	61.5	64%	0.635	31%	0.309	S	S	*	.			trans	-104.4	101.3	178.6	-65.8	-172.3	-179.6	-176.9	0	110.8	P225	K222-P225 HydrophobicContact CB-CG 4.34Å
223	I	97.9	Very high	93.8	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	30%	0.301	C	S	.	.			trans	-95.1	-25.7	175.7	-160.1	166.6	0	0	0	112.4	V215 P225 W226 L227 T257 I258 F291	V215-I223 HydrophobicContact CG1-CG1 4.48Å; V215-I223 HydrophobicContact CG2-CD1 4.17Å; V215-I223 HydrophobicContact CG2-CG1 4.46Å; I223-P225 VanDerWaalsContact C-CD 3.49Å; I223-W226 WeakPolarHBondContact O-CB 3.09Å; I223-W226 PolarHBondContact O-N 2.96Å; I223-L227 PolarHBondContact O-N 3.46Å; I223-T257 HydrophobicContact CD1-CG2 4.13Å; I223-T257 HydrophobicContact CG2-CG2 3.99Å; I223-I258 HydrophobicContact CD1-CD1 4.41Å; I223-I258 HydrophobicContact CD1-CG1 4.06Å; I223-F291 HydrophobicContact CB-CD1 4.04Å; I223-F291 HydrophobicContact CB-CE1 3.84Å; I223-F291 HydrophobicContact CB-CZ 4.41Å; I223-F291 HydrophobicContact CD1-CE2 4.5Å; I223-F291 HydrophobicContact CD1-CZ 4.45Å; I223-F291 HydrophobicContact CG2-CB 4.41Å; I223-F291 HydrophobicContact CG2-CD1 3.39Å; I223-F291 HydrophobicContact CG2-CE1 3.74Å; I223-F291 HydrophobicContact CG2-CG 3.94Å
224	L	97.5	Very high	93.8	Very high	41 Å²	41	59.1 Å²	59.1	22%	0.215	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-49.7	-46.7	177.8	179.8	57.6	0	0	0	113.7	W226 L227 Q294 D297 F298	L224-W226 PolarHBondContact O-N 3.45Å; L224-W226 VanDerWaalsContact O-N 3.08Å; L224-L227 HydrophobicContact CD1-CD1 3.92Å; L224-L227 PolarHBondContact O-N 3.21Å; L224-L227 VanDerWaalsContact O-N 3.11Å; L224-Q294 HydrophobicContact CB-CB 4.12Å; L224-Q294 HydrophobicContact CB-CG 4.15Å; L224-D297 HydrophobicContact CD2-CB 4.23Å; L224-F298 HydrophobicContact CD1-CB 3.84Å; L224-F298 HydrophobicContact CD1-CD2 3.89Å; L224-F298 HydrophobicContact CD1-CG 4.29Å
225	P	98	Very high	93.9	Very high	97 Å²	97	59.1 Å²	59.1	63%	0.63	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-67.7	-9.6	179.7	-18.9	33.8	0	0	0	114.6	K222 I223	K222-P225 HydrophobicContact CB-CG 4.34Å; I223-P225 VanDerWaalsContact C-CD 3.49Å
226	W	98.4	Very high	94.1	Very high	71 Å²	71	66.3 Å²	66.3	27%	0.269	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-98.8	-9.4	177.2	-63.1	96.3	0	0	0	113	V213 P214 I223 L224 S230	V213-W226 HydrophobicContact CG1-CB 3.6Å; V213-W226 HydrophobicContact CG1-CD2 3.95Å; V213-W226 HydrophobicContact CG1-CE3 4.29Å; V213-W226 HydrophobicContact CG1-CG 3.64Å; V213-W226 HydrophobicContact CG2-CB 4.5Å; V213-W226 HydrophobicContact CG2-CE3 4.4Å; P214-W226 VanDerWaalsContact CD-CH2 3.49Å; P214-W226 HydrophobicContact CG-CH2 3.66Å; P214-W226 HydrophobicContact CG-CZ2 3.58Å; P214-W226 HydrophobicContact CG-CZ3 4.42Å; I223-W226 WeakPolarHBondContact O-CB 3.09Å; I223-W226 PolarHBondContact O-N 2.96Å; L224-W226 PolarHBondContact O-N 3.45Å; L224-W226 VanDerWaalsContact O-N 3.08Å; W226-S230 VanDerWaalsContact O-CB 3.3Å; W226-S230 WeakPolarHBondContact O-CB 3.42Å; W226-S230 PolarHBondContact O-N 3.28Å; W226-S230 PolarHBondContact O-OG 2.7Å
227	L	98.3	Very high	94.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.1	-57.2	-172.1	-66.3	-176.1	0	0	0	111.5	I223 L224 R229 S230 L231 I258 A261 L295 F298	I223-L227 PolarHBondContact O-N 3.46Å; L224-L227 HydrophobicContact CD1-CD1 3.92Å; L224-L227 PolarHBondContact O-N 3.21Å; L224-L227 VanDerWaalsContact O-N 3.11Å; L227-R229 PolarHBondContact O-N 3.43Å; L227-S230 CarbonylContact O-C 3.35Å; L227-S230 WeakPolarHBondContact O-CA 3.41Å; L227-S230 WeakPolarHBondContact O-CB 3.32Å; L227-S230 PolarHBondContact O-N 3.29Å; L227-L231 HydrophobicContact CB-CD1 4.15Å; L227-L231 WeakPolarHBondContact O-CD1 3.33Å; L227-L231 PolarHBondContact O-N 3.12Å; L227-I258 HydrophobicContact CD2-CG1 4.21Å; L227-A261 HydrophobicContact CD1-CB 3.94Å; L227-A261 HydrophobicContact CD2-CB 3.83Å; L227-A261 HydrophobicContact CG-CB 4.36Å; L227-L295 HydrophobicContact CD1-CD2 4.11Å; L227-F298 HydrophobicContact CB-CD2 4.3Å; L227-F298 HydrophobicContact CB-CE2 3.91Å; L227-F298 HydrophobicContact CB-CZ 4.2Å; L227-F298 HydrophobicContact CD1-CB 4.06Å; L227-F298 HydrophobicContact CD1-CD1 4.02Å; L227-F298 HydrophobicContact CD1-CD2 3.75Å; L227-F298 HydrophobicContact CD1-CE1 4.37Å; L227-F298 HydrophobicContact CD1-CE2 4.13Å; L227-F298 HydrophobicContact CD1-CG 3.69Å; L227-F298 HydrophobicContact CD1-CZ 4.41Å
228	D	97.1	Very high	95	Very high	70 Å²	70	62.5 Å²	62.5	37%	0.374	30%	0.304	S	S	.	.	H	α-helix	trans	-56.6	-48.5	-176.9	-64.6	-69.6	0	0	0	112.6	S230 L231 D232 K265	D228-S230 PolarHBondContact O-N 2.89Å; D228-S230 VanDerWaalsContact O-N 3.13Å; D228-L231 PolarHBondContact O-N 3.07Å; D228-D232 WeakPolarHBondContact O-CB 3.47Å; D228-D232 PolarHBondContact O-N 3.16Å; D228-K265 IonicContact OD1-NZ 4Å; D228-K265 PolarHBondContact OD1-NZ 2.71Å
229	R	98.3	Very high	96	Very high	150 Å²	150	65.4 Å²	65.4	57%	0.566	33%	0.33	S	S	*	.	H	α-helix	trans	-57.1	-31.2	173.1	-177.5	176.4	177.1	-175.8	-0.3	113.6	L211 L227 F233	L211-R229 HydrophobicContact CD2-CG 4.46Å; L227-R229 PolarHBondContact O-N 3.43Å; R229-F233 WeakPolarHBondContact O-CB 3.44Å; R229-F233 PolarHBondContact O-N 2.94Å
230	S	98.7	Very high	96.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-74.2	-41.8	175.5	-60.2	0	0	0	0	112	V213 W226 L227 D228 I234	V213-S230 WeakPolarHBondContact CG2-OG 3.14Å; W226-S230 VanDerWaalsContact O-CB 3.3Å; W226-S230 WeakPolarHBondContact O-CB 3.42Å; W226-S230 PolarHBondContact O-N 3.28Å; W226-S230 PolarHBondContact O-OG 2.7Å; L227-S230 CarbonylContact O-C 3.35Å; L227-S230 WeakPolarHBondContact O-CA 3.41Å; L227-S230 WeakPolarHBondContact O-CB 3.32Å; L227-S230 PolarHBondContact O-N 3.29Å; D228-S230 PolarHBondContact O-N 2.89Å; D228-S230 VanDerWaalsContact O-N 3.13Å; S230-I234 WeakPolarHBondContact O-CD1 3.11Å; S230-I234 VanDerWaalsContact O-CG1 3.31Å; S230-I234 WeakPolarHBondContact O-CG1 3.35Å; S230-I234 PolarHBondContact O-N 3.16Å
231	L	98.4	Very high	97.3	Very high	5 Å²	5	63.6 Å²	63.6	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-67.4	-43.7	176.1	-80	84.2	0	0	0	111.3	L227 D228 F233 I234 E235 A261 Y262 K265 F298	L227-L231 HydrophobicContact CB-CD1 4.15Å; L227-L231 WeakPolarHBondContact O-CD1 3.33Å; L227-L231 PolarHBondContact O-N 3.12Å; D228-L231 PolarHBondContact O-N 3.07Å; L231-F233 VanDerWaalsContact C-N 3.27Å; L231-F233 PolarHBondContact O-N 2.71Å; L231-I234 WeakPolarHBondContact O-CA 3.31Å; L231-I234 PolarHBondContact O-N 3.3Å; L231-E235 PolarHBondContact O-N 3.4Å; L231-A261 HydrophobicContact CD1-CB 4.15Å; L231-Y262 HydrophobicContact CB-CD2 4.3Å; L231-Y262 HydrophobicContact CD2-CD2 4.32Å; L231-Y262 HydrophobicContact CG-CD2 3.92Å; L231-K265 HydrophobicContact CD2-CB 3.62Å; L231-K265 HydrophobicContact CD2-CD 3.77Å; L231-K265 HydrophobicContact CD2-CG 3.8Å; L231-F298 HydrophobicContact CD1-CZ 4.19Å; L231-F298 HydrophobicContact CD2-CZ 4.28Å
232	D	98.5	Very high	97.5	Very high	97 Å²	97	62.1 Å²	62.1	52%	0.519	32%	0.321	S	S	.	.	H	α-helix	trans	-59.6	-37.7	177.6	-63.6	-21	0	0	0	111.7	D228 K236	D228-D232 WeakPolarHBondContact O-CB 3.47Å; D228-D232 PolarHBondContact O-N 3.16Å; D232-K236 VanDerWaalsContact O-CB 3.28Å; D232-K236 WeakPolarHBondContact O-CB 3.43Å; D232-K236 PolarHBondContact O-N 2.63Å
233	F	98.8	Very high	97.7	Very high	27 Å²	27	58.6 Å²	58.6	12%	0.118	30%	0.304	C	S	.	.	H	α-helix	trans	-65.6	-39.7	173.5	175.7	-93.6	0	0	0	112.2	F191 L193 H209 L211 R229 L231 K236 A237 V244	F191-F233 HydrophobicContact CB-CE1 4.44Å; F191-F233 HydrophobicContact CB-CZ 4.32Å; F191-F233 HydrophobicContact CD1-CE2 4.3Å; F191-F233 HydrophobicContact CD1-CZ 4.02Å; L193-F233 HydrophobicContact CB-CD1 4.18Å; L193-F233 HydrophobicContact CB-CE1 3.95Å; L193-F233 HydrophobicContact CD1-CD1 4.09Å; L193-F233 HydrophobicContact CG-CD1 4.33Å; H209-F233 WeakPolarHBondContact O-CZ 3.14Å; L211-F233 HydrophobicContact CB-CD1 4.11Å; L211-F233 HydrophobicContact CB-CD2 3.68Å; L211-F233 HydrophobicContact CB-CE1 4.09Å; L211-F233 HydrophobicContact CB-CE2 3.66Å; L211-F233 HydrophobicContact CB-CG 3.9Å; L211-F233 HydrophobicContact CB-CZ 3.86Å; L211-F233 HydrophobicContact CD2-CB 3.62Å; L211-F233 HydrophobicContact CD2-CD1 4.22Å; L211-F233 HydrophobicContact CD2-CD2 4.16Å; L211-F233 HydrophobicContact CD2-CG 3.75Å; L211-F233 HydrophobicContact CG-CG 4.48Å; R229-F233 WeakPolarHBondContact O-CB 3.44Å; R229-F233 PolarHBondContact O-N 2.94Å; L231-F233 VanDerWaalsContact C-N 3.27Å; L231-F233 PolarHBondContact O-N 2.71Å; F233-K236 PolarHBondContact O-N 2.88Å; F233-A237 WeakPolarHBondContact O-CB 3.47Å; F233-A237 PolarHBondContact O-N 3.28Å; F233-V244 HydrophobicContact CD1-CG1 4.43Å; F233-V244 HydrophobicContact CE1-CG1 3.96Å
234	I	98.7	Very high	97.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-69.1	-40.7	176.7	-61.2	160.3	0	0	0	111	L170 L193 S230 L231 A237 K238 V244 V246 I258 Y262	L170-I234 HydrophobicContact CD1-CD1 4.24Å; L170-I234 HydrophobicContact CD1-CG2 4.28Å; L193-I234 HydrophobicContact CD1-CD1 4.4Å; L193-I234 HydrophobicContact CD1-CG1 4.42Å; S230-I234 WeakPolarHBondContact O-CD1 3.11Å; S230-I234 VanDerWaalsContact O-CG1 3.31Å; S230-I234 WeakPolarHBondContact O-CG1 3.35Å; S230-I234 PolarHBondContact O-N 3.16Å; L231-I234 WeakPolarHBondContact O-CA 3.31Å; L231-I234 PolarHBondContact O-N 3.3Å; I234-A237 PolarHBondContact O-N 2.81Å; I234-K238 WeakPolarHBondContact O-CB 3.41Å; I234-K238 PolarHBondContact O-N 3.01Å; I234-V244 HydrophobicContact CG1-CG1 4.29Å; I234-V244 HydrophobicContact CG2-CG2 4.32Å; I234-V246 HydrophobicContact CD1-CG2 3.88Å; I234-V246 HydrophobicContact CG1-CG2 4.3Å; I234-I258 HydrophobicContact CD1-CG2 4.45Å; I234-Y262 HydrophobicContact CB-CD2 3.86Å; I234-Y262 HydrophobicContact CB-CE2 3.68Å; I234-Y262 HydrophobicContact CD1-CD2 3.76Å; I234-Y262 HydrophobicContact CD1-CE2 4.44Å; I234-Y262 HydrophobicContact CD1-CG 4.06Å; I234-Y262 HydrophobicContact CG1-CD2 4.43Å; I234-Y262 HydrophobicContact CG2-CD2 3.76Å; I234-Y262 HydrophobicContact CG2-CE1 4.18Å; I234-Y262 HydrophobicContact CG2-CE2 3.31Å; I234-Y262 HydrophobicContact CG2-CG 4.38Å
235	E	98.2	Very high	97.8	Very high	48 Å²	48	56.6 Å²	56.6	22%	0.224	29%	0.293	C	S	.	.	H	α-helix	trans	-66.6	-39.8	173.8	-73.8	-56.2	130.4	0	0	112.5	L231 A237 K238 A239 Y262 R266	L231-E235 PolarHBondContact O-N 3.4Å; E235-A237 PolarHBondContact O-N 3.3Å; E235-K238 PolarHBondContact O-N 3.2Å; E235-K238 IonicContact OE1-NZ 2.76Å; E235-K238 IonicContact OE2-NZ 3.7Å; E235-K238 PolarHBondContact OE2-NZ 3.33Å; E235-A239 WeakPolarHBondContact O-CB 3.5Å; E235-A239 PolarHBondContact O-N 3Å; E235-Y262 HydrophobicContact CG-CE2 4.34Å; E235-Y262 VanDerWaalsContact OE1-CE2 3.29Å; E235-Y262 WeakPolarHBondContact OE1-CE2 3.37Å; E235-Y262 VanDerWaalsContact OE1-CZ 3.25Å; E235-Y262 PolarHBondContact OE1-OH 3.02Å; E235-R266 WeakPolarHBondContact OE1-CD 3.45Å; E235-R266 IonicContact OE1-CZ 2.68Å; E235-R266 IonicContact OE1-NE 2.65Å; E235-R266 IonicContact OE1-NH1 2.64Å; E235-R266 PolarHBondContact OE1-NH1 3.33Å; E235-R266 IonicContact OE2-CZ 3.71Å; E235-R266 IonicContact OE2-NH1 3.16Å; E235-R266 PolarHBondContact OE2-NH1 3.42Å; E235-R266 IonicContact OE2-NH2 2.79Å
236	K	97.9	Very high	97.8	Very high	150 Å²	150	52 Å²	52	65%	0.652	26%	0.263	S	S	*	.	H	α-helix	trans	-61.1	-44.6	175.7	-175.8	-180	178.8	-176	0	111.6	D232 F233 A239 S240	D232-K236 VanDerWaalsContact O-CB 3.28Å; D232-K236 WeakPolarHBondContact O-CB 3.43Å; D232-K236 PolarHBondContact O-N 2.63Å; F233-K236 PolarHBondContact O-N 2.88Å; K236-A239 PolarHBondContact O-N 3.07Å; K236-S240 PolarHBondContact O-N 3.39Å; K236-S240 PolarHBondContact O-OG 3.36Å
237	A	97.5	Very high	97.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-47.6	175.9	0	0	0	0	0	111.6	F191 F233 I234 E235 A239 S240 D241 G242 V244	F191-A237 HydrophobicContact CB-CB 4.09Å; F191-A237 HydrophobicContact CD1-CB 3.69Å; F191-A237 HydrophobicContact CD2-CB 3.63Å; F191-A237 HydrophobicContact CE1-CB 3.94Å; F191-A237 HydrophobicContact CE2-CB 3.89Å; F191-A237 HydrophobicContact CG-CB 3.53Å; F191-A237 HydrophobicContact CZ-CB 4.04Å; F233-A237 WeakPolarHBondContact O-CB 3.47Å; F233-A237 PolarHBondContact O-N 3.28Å; I234-A237 PolarHBondContact O-N 2.81Å; E235-A237 PolarHBondContact O-N 3.3Å; A237-A239 VanDerWaalsContact C-N 3.33Å; A237-A239 PolarHBondContact O-N 3.19Å; A237-S240 CarbonylContact O-C 3.47Å; A237-S240 WeakPolarHBondContact O-CA 3.38Å; A237-S240 PolarHBondContact O-N 3.27Å; A237-S240 PolarHBondContact O-OG 3.03Å; A237-D241 PolarHBondContact O-N 3.26Å; A237-G242 CarbonylContact C-O 3.48Å; A237-G242 WeakPolarHBondContact O-CA 3.48Å; A237-G242 PolarHBondContact O-N 3.4Å; A237-V244 HydrophobicContact CB-CG2 3.29Å
238	K	97.3	Very high	97.8	Very high	70 Å²	70	48.6 Å²	48.6	30%	0.304	25%	0.251	S	S	.	.	H	α-helix	trans	-59.3	-39.4	175.8	-177.8	-164.2	176	-169.1	0	113	H169 I234 E235 S240 D241	H169-K238 HydrophobicContact CB-CG 4.36Å; I234-K238 WeakPolarHBondContact O-CB 3.41Å; I234-K238 PolarHBondContact O-N 3.01Å; E235-K238 PolarHBondContact O-N 3.2Å; E235-K238 IonicContact OE1-NZ 2.76Å; E235-K238 IonicContact OE2-NZ 3.7Å; E235-K238 PolarHBondContact OE2-NZ 3.33Å; K238-S240 PolarHBondContact O-N 3.39Å; K238-D241 WeakPolarHBondContact O-CA 3.34Å; K238-D241 PolarHBondContact O-N 3.15Å
239	A	97.5	Very high	97.6	Very high	92 Å²	92	49.5 Å²	49.5	76%	0.76	26%	0.255	S	S	*	.	H	α-helix	trans	-66.5	-19.6	176.3	0	0	0	0	0	113	E235 K236 A237	E235-A239 WeakPolarHBondContact O-CB 3.5Å; E235-A239 PolarHBondContact O-N 3Å; K236-A239 PolarHBondContact O-N 3.07Å; A237-A239 VanDerWaalsContact C-N 3.33Å; A237-A239 PolarHBondContact O-N 3.19Å
240	S	95.7	Very high	97.2	Very high	74 Å²	74	44.8 Å²	44.8	52%	0.517	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	17.3	169.1	56.3	0	0	0	0	114.1	K236 A237 K238 G242	K236-S240 PolarHBondContact O-N 3.39Å; K236-S240 PolarHBondContact O-OG 3.36Å; A237-S240 CarbonylContact O-C 3.47Å; A237-S240 WeakPolarHBondContact O-CA 3.38Å; A237-S240 PolarHBondContact O-N 3.27Å; A237-S240 PolarHBondContact O-OG 3.03Å; K238-S240 PolarHBondContact O-N 3.39Å; S240-G242 PolarHBondContact O-N 3.33Å; S240-G242 VanDerWaalsContact O-N 3.08Å
241	D	94.8	Very high	97	Very high	156 Å²	156	44.8 Å²	44.8	83%	0.834	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	21.7	-172.6	-156.6	31.8	0	0	0	114.4	A237 K238	A237-D241 PolarHBondContact O-N 3.26Å; K238-D241 WeakPolarHBondContact O-CA 3.34Å; K238-D241 PolarHBondContact O-N 3.15Å
242	G	96.1	Very high	96.9	Very high	9 Å²	9	47.1 Å²	47.1	9%	0.093	26%	0.26	C	S	.	.			trans	-91.2	144.6	-178.4	0	0	0	0	0	112.6	A237 S240	A237-G242 CarbonylContact C-O 3.48Å; A237-G242 WeakPolarHBondContact O-CA 3.48Å; A237-G242 PolarHBondContact O-N 3.4Å; S240-G242 PolarHBondContact O-N 3.33Å; S240-G242 VanDerWaalsContact O-N 3.08Å
243	R	98.3	Very high	96.9	Very high	72 Å²	72	42.8 Å²	42.8	27%	0.272	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	139.7	177.3	-45	-169.7	-169.6	140.6	14.1	111.6	P168 H169 Y171 N187 D188 A190 F191	P168-R243 WeakPolarHBondContact O-CD 3.22Å; H169-R243 WeakPolarHBondContact O-CA 3.5Å; Y171-R243 HydrophobicContact CE2-CB 4.45Å; N187-R243 WeakPolarHBondContact O-CD 3.15Å; N187-R243 PolarHBondContact O-NH1 2.95Å; D188-R243 IonicContact OD2-CZ 3.52Å; D188-R243 IonicContact OD2-NH1 2.67Å; D188-R243 PolarHBondContact OD2-NH1 3.32Å; D188-R243 IonicContact OD2-NH2 3.68Å; D188-R243 PolarHBondContact OD2-NH2 3.43Å; A190-R243 PolarHBondContact N-O 3.02Å; A190-R243 VanDerWaalsContact N-O 3.16Å; F191-R243 PolarHBondContact N-O 2.78Å
244	V	98.8	Very high	96.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.5	-174.6	-170.6	0	0	0	0	111.2	H169 Y171 F191 L193 F233 I234 A237 V246	H169-V244 PolarHBondContact O-N 3.32Å; Y171-V244 PolarHBondContact N-O 2.77Å; F191-V244 HydrophobicContact CB-CB 4.28Å; F191-V244 HydrophobicContact CB-CG1 4.29Å; F191-V244 HydrophobicContact CB-CG2 3.88Å; F191-V244 WeakPolarHBondContact O-CA 3.34Å; L193-V244 HydrophobicContact CB-CG1 4.39Å; F233-V244 HydrophobicContact CD1-CG1 4.43Å; F233-V244 HydrophobicContact CE1-CG1 3.96Å; I234-V244 HydrophobicContact CG1-CG1 4.29Å; I234-V244 HydrophobicContact CG2-CG2 4.32Å; A237-V244 HydrophobicContact CB-CG2 3.29Å; V244-V246 HydrophobicContact CG1-CG2 4.11Å
245	L	98.8	Very high	96.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	110.8	161	175.1	55.3	0	0	0	110.5	P163 D177 V178 M184 I189 F191 L193 H247	P163-L245 HydrophobicContact CB-CD1 3.55Å; P163-L245 HydrophobicContact CB-CD2 4.43Å; P163-L245 HydrophobicContact CG-CD1 4.4Å; D177-L245 HydrophobicContact CB-CD2 4.31Å; V178-L245 HydrophobicContact CB-CD2 3.73Å; V178-L245 HydrophobicContact CG2-CD2 4.2Å; M184-L245 HydrophobicContact SD-CB 4.4Å; M184-L245 HydrophobicContact SD-CD2 3.59Å; M184-L245 VanDerWaalsContact SD-CD2 3.59Å; I189-L245 HydrophobicContact CD1-CB 4.32Å; I189-L245 HydrophobicContact CG2-CB 3.64Å; F191-L245 PolarHBondContact O-N 2.88Å; L193-L245 PolarHBondContact N-O 3.19Å; L245-H247 HydrophobicContact CD1-CB 4.38Å; L245-H247 HydrophobicContact CG-CB 4.19Å
246	V	98.8	Very high	96.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	113.7	167.4	-177.2	0	0	0	0	107.9	L170 Y171 L172 G173 L193 I234 V244 I258	L170-V246 HydrophobicContact CD1-CB 4.39Å; L170-V246 HydrophobicContact CD1-CG2 3.5Å; L170-V246 VanDerWaalsContact CD1-CG2 3.5Å; Y171-V246 PolarHBondContact O-N 3.23Å; L172-V246 WeakPolarHBondContact CA-O 3.46Å; G173-V246 PolarHBondContact N-O 2.93Å; G173-V246 VanDerWaalsContact N-O 3.07Å; L193-V246 HydrophobicContact CB-CG2 4.1Å; L193-V246 HydrophobicContact CD1-CG2 4.33Å; L193-V246 HydrophobicContact CD2-CG1 4.42Å; L193-V246 WeakPolarHBondContact O-CA 3.48Å; I234-V246 HydrophobicContact CD1-CG2 3.88Å; I234-V246 HydrophobicContact CG1-CG2 4.3Å; V244-V246 HydrophobicContact CG1-CG2 4.11Å; V246-I258 HydrophobicContact CG1-CB 4.05Å; V246-I258 HydrophobicContact CG1-CG2 4.01Å
247	H	98.7	Very high	96.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	159.9	-177.6	86.6	97	0	0	0	113.2	G173 L193 N194 A195 L245	G173-H247 VanDerWaalsContact O-CA 3.29Å; G173-H247 WeakPolarHBondContact O-CA 3.47Å; G173-H247 WeakPolarHBondContact O-CB 3.5Å; L193-H247 PolarHBondContact O-CD2 2.92Å; L193-H247 PolarHBondContact O-N 3.36Å; N194-H247 VanDerWaalsContact CB-NE2 3.27Å; N194-H247 WeakPolarHBondContact CB-NE2 3.3Å; N194-H247 VanDerWaalsContact CG-NE2 3.27Å; N194-H247 PolarHBondContact ND2-NE2 2.62Å; A195-H247 PolarHBondContact N-O 3.5Å; L245-H247 HydrophobicContact CD1-CB 4.38Å; L245-H247 HydrophobicContact CG-CB 4.19Å
248	C	98	Very high	97	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.007	19%	0.194	C	C	.	.			trans	-132.3	-158.4	162.5	74.5	0	0	0	0	108.2	G173 C174 Q175 A195 G251 R254 S255	G173-C248 PolarHBondContact O-N 3.24Å; C174-C248 CarbonylContact C-O 3.29Å; C174-C248 VanDerWaalsContact C-O 3.29Å; C174-C248 WeakPolarHBondContact CA-O 3.25Å; Q175-C248 PolarHBondContact N-O 2.91Å; A195-C248 HydrophobicContact CB-CB 4.28Å; A195-C248 VanDerWaalsContact O-CB 3.25Å; A195-C248 WeakPolarHBondContact O-CB 3.32Å; C248-G251 PolarHBondContact SG-N 2.79Å; C248-R254 HydrophobicContact CB-CB 3.9Å; C248-S255 PolarHBondContact N-OG 2.68Å; C248-S255 PolarHBondContact SG-OG 2.86Å
249	L	91.4	Very high	97.1	Very high	88 Å²	88	29.8 Å²	29.8	46%	0.461	18%	0.18	S	C	.	.	S	Bend	trans	-59.4	-54.3	177.4	-177.9	60.8	0	0	0	112.2	C174 Q175 C199	C174-L249 WeakPolarHBondContact CB-O 3.21Å; Q175-L249 HydrophobicContact CB-CD1 4.36Å; Q175-L249 PolarHBondContact N-O 2.98Å; Q175-L249 VanDerWaalsContact OE1-CD1 3.32Å; C199-L249 VanDerWaalsContact SG-CA 3.59Å
250	A	90.2	Very high	97.2	Very high	52 Å²	52	25.4 Å²	25.4	43%	0.43	14%	0.143	S	C	.	.	S	Bend	trans	-108.6	-14.6	-172.6	0	0	0	0	0	114.9	C174 I252	C174-A250 WeakPolarHBondContact CB-O 3.23Å; A250-I252 HydrophobicContact CB-CD1 3.96Å; A250-I252 HydrophobicContact CB-CG1 4.08Å
251	G	95.8	Very high	97.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	68.2	35.7	-176	0	0	0	0	0	114.3	G173 C248 R282	G173-G251 WeakPolarHBondContact O-CA 3.45Å; C248-G251 PolarHBondContact SG-N 2.79Å; G251-R282 PolarHBondContact O-NE 3.37Å
252	I	95.6	Very high	97.5	Very high	54 Å²	54	14.5 Å²	14.5	28%	0.277	8%	0.079	S	C	.	.	S	Bend	trans	-115.7	-50.8	-175.1	-66.3	176.5	0	0	0	111.9	A250 A256 I285 S286	A250-I252 HydrophobicContact CB-CD1 3.96Å; A250-I252 HydrophobicContact CB-CG1 4.08Å; I252-A256 WeakPolarHBondContact O-CB 3.24Å; I252-I285 WeakPolarHBondContact O-CA 3.37Å; I252-S286 CarbonylContact O-C 3.57Å; I252-S286 PolarHBondContact O-N 3.33Å
253	S	97.8	Very high	97.6	Very high	6 Å²	6	14 Å²	14	4%	0.042	8%	0.075	C	C	.	.	S	Bend	trans	-114.7	-80.2	-171	167.3	0	0	0	0	113	D217 S255 A256 T257 N288	D217-S253 WeakPolarHBondContact OD1-CB 3.5Å; D217-S253 PolarHBondContact OD1-OG 2.81Å; D217-S253 WeakPolarHBondContact OD2-CB 3.37Å; S253-S255 PolarHBondContact O-N 2.96Å; S253-A256 WeakPolarHBondContact O-CB 3.28Å; S253-A256 PolarHBondContact O-N 3.07Å; S253-A256 VanDerWaalsContact O-N 3.08Å; S253-T257 PolarHBondContact O-N 2.9Å; S253-T257 PolarHBondContact O-OG1 3.4Å; S253-N288 PolarHBondContact OG-N 3.23Å
254	R	98.7	Very high	97.6	Very high	21 Å²	21	10.7 Å²	10.7	8%	0.079	6%	0.062	C	C	.	.	H	α-helix	trans	-48.1	-52.8	-175.4	-75.9	168.1	-80	174	-0.9	115.5	A195 V215 D217 C248 T257 I258 F291	A195-R254 HydrophobicContact CB-CB 4.05Å; A195-R254 WeakPolarHBondContact O-CD 3.42Å; V215-R254 HydrophobicContact CG2-CB 4.44Å; V215-R254 HydrophobicContact CG2-CG 4.02Å; V215-R254 WeakPolarHBondContact O-CD 3.06Å; V215-R254 PolarHBondContact O-NH1 3.26Å; D217-R254 WeakPolarHBondContact OD2-CG 3.36Å; D217-R254 IonicContact OD2-CZ 2.74Å; D217-R254 IonicContact OD2-NE 3.76Å; D217-R254 PolarHBondContact OD2-NE 2.99Å; D217-R254 IonicContact OD2-NH2 3.03Å; C248-R254 HydrophobicContact CB-CB 3.9Å; R254-T257 WeakPolarHBondContact O-CB 3.41Å; R254-T257 PolarHBondContact O-N 2.59Å; R254-I258 PolarHBondContact O-N 2.85Å; R254-F291 HydrophobicContact CB-CE2 4.47Å; R254-F291 HydrophobicContact CG-CE2 3.54Å; R254-F291 HydrophobicContact CG-CZ 4.04Å
255	S	98.8	Very high	97.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-72.2	-32.6	-180	48.6	0	0	0	0	113.2	L172 G173 C248 S253 T257 I258 A259	L172-S255 WeakPolarHBondContact CD1-OG 3.47Å; G173-S255 PolarHBondContact O-OG 3.44Å; C248-S255 PolarHBondContact N-OG 2.68Å; C248-S255 PolarHBondContact SG-OG 2.86Å; S253-S255 PolarHBondContact O-N 2.96Å; S255-T257 VanDerWaalsContact C-N 3.31Å; S255-I258 PolarHBondContact O-N 3.12Å; S255-A259 WeakPolarHBondContact O-CB 3.29Å; S255-A259 PolarHBondContact O-N 3.38Å
256	A	98.8	Very high	97.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.7	-38.5	173.3	0	0	0	0	0	111	L172 I252 S253 I258 A259 I260 I285 P287	L172-A256 HydrophobicContact CD2-CB 4.17Å; I252-A256 WeakPolarHBondContact O-CB 3.24Å; S253-A256 WeakPolarHBondContact O-CB 3.28Å; S253-A256 PolarHBondContact O-N 3.07Å; S253-A256 VanDerWaalsContact O-N 3.08Å; A256-I258 PolarHBondContact O-N 3.17Å; A256-A259 PolarHBondContact O-N 2.68Å; A256-I260 WeakPolarHBondContact O-CB 3.36Å; A256-I260 WeakPolarHBondContact O-CD1 3.3Å; A256-I260 WeakPolarHBondContact O-CG1 3.26Å; A256-I260 PolarHBondContact O-N 2.96Å; A256-I285 HydrophobicContact CB-CB 3.83Å; A256-I285 HydrophobicContact CB-CD1 4.47Å; A256-I285 HydrophobicContact CB-CG2 3.56Å; A256-P287 HydrophobicContact CB-CG 4.14Å
257	T	98.9	Very high	97.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.7	-47.2	174.8	-53	0	0	0	0	111.4	I223 S253 R254 S255 I260 A261 F291 L295	I223-T257 HydrophobicContact CD1-CG2 4.13Å; I223-T257 HydrophobicContact CG2-CG2 3.99Å; S253-T257 PolarHBondContact O-N 2.9Å; S253-T257 PolarHBondContact O-OG1 3.4Å; R254-T257 WeakPolarHBondContact O-CB 3.41Å; R254-T257 PolarHBondContact O-N 2.59Å; S255-T257 VanDerWaalsContact C-N 3.31Å; T257-I260 PolarHBondContact O-N 3.08Å; T257-A261 WeakPolarHBondContact O-CB 3.38Å; T257-A261 PolarHBondContact O-N 3.27Å; T257-F291 HydrophobicContact CG2-CB 3.81Å; T257-F291 HydrophobicContact CG2-CG 4.31Å; T257-L295 HydrophobicContact CG2-CD1 3.84Å; T257-L295 HydrophobicContact CG2-CD2 4.02Å; T257-L295 HydrophobicContact CG2-CG 3.88Å
258	I	98.9	Very high	97.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.8	-41.1	177.4	-62.5	177.9	0	0	0	111.2	L193 A195 V213 I223 L227 I234 V246 R254 S255 A256 I260 A261 Y262	L193-I258 HydrophobicContact CD1-CG2 4.2Å; L193-I258 HydrophobicContact CD2-CD1 3.88Å; A195-I258 HydrophobicContact CB-CD1 3.81Å; V213-I258 HydrophobicContact CB-CD1 4.4Å; V213-I258 HydrophobicContact CG1-CD1 4.29Å; V213-I258 HydrophobicContact CG2-CD1 4.34Å; I223-I258 HydrophobicContact CD1-CD1 4.41Å; I223-I258 HydrophobicContact CD1-CG1 4.06Å; L227-I258 HydrophobicContact CD2-CG1 4.21Å; I234-I258 HydrophobicContact CD1-CG2 4.45Å; V246-I258 HydrophobicContact CG1-CB 4.05Å; V246-I258 HydrophobicContact CG1-CG2 4.01Å; R254-I258 PolarHBondContact O-N 2.85Å; S255-I258 PolarHBondContact O-N 3.12Å; A256-I258 PolarHBondContact O-N 3.17Å; I258-I260 PolarHBondContact O-N 2.73Å; I258-A261 PolarHBondContact O-N 2.89Å; I258-Y262 WeakPolarHBondContact O-CB 3.3Å; I258-Y262 PolarHBondContact O-N 3.04Å
259	A	98.9	Very high	97	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.4	-42.2	176.2	0	0	0	0	0	112.1	L172 S255 A256 Y262 I263	L172-A259 HydrophobicContact CD1-CB 4.37Å; L172-A259 HydrophobicContact CD2-CB 4.18Å; S255-A259 WeakPolarHBondContact O-CB 3.29Å; S255-A259 PolarHBondContact O-N 3.38Å; A256-A259 PolarHBondContact O-N 2.68Å; A259-Y262 PolarHBondContact O-N 2.64Å; A259-I263 WeakPolarHBondContact O-CG1 3.34Å; A259-I263 PolarHBondContact O-N 2.84Å
260	I	98.9	Very high	97.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65	-47.2	176.8	-67.7	161	0	0	0	110.6	A256 T257 I258 Y262 I263 M264 L271 A274 Y275 V278 I285 P287 L295	A256-I260 WeakPolarHBondContact O-CB 3.36Å; A256-I260 WeakPolarHBondContact O-CD1 3.3Å; A256-I260 WeakPolarHBondContact O-CG1 3.26Å; A256-I260 PolarHBondContact O-N 2.96Å; T257-I260 PolarHBondContact O-N 3.08Å; I258-I260 PolarHBondContact O-N 2.73Å; I260-Y262 VanDerWaalsContact C-N 3.26Å; I260-Y262 PolarHBondContact O-N 3.25Å; I260-I263 PolarHBondContact O-N 3.1Å; I260-M264 HydrophobicContact CG2-CG 4.4Å; I260-M264 HydrophobicContact CG2-SD 4Å; I260-M264 VanDerWaalsContact O-CG 3.31Å; I260-M264 WeakPolarHBondContact O-CG 3.41Å; I260-M264 PolarHBondContact O-N 3.38Å; I260-L271 HydrophobicContact CG2-CD1 3.44Å; I260-L271 VanDerWaalsContact CG2-CD1 3.44Å; I260-A274 HydrophobicContact CG2-CB 3.9Å; I260-Y275 HydrophobicContact CD1-CD2 3.81Å; I260-Y275 HydrophobicContact CD1-CE2 4.49Å; I260-Y275 HydrophobicContact CD1-CG 4.47Å; I260-V278 HydrophobicContact CG1-CB 3.95Å; I260-V278 HydrophobicContact CG1-CG1 4.31Å; I260-V278 HydrophobicContact CG1-CG2 3.85Å; I260-I285 HydrophobicContact CD1-CD1 3.92Å; I260-P287 HydrophobicContact CD1-CG 3.82Å; I260-L295 HydrophobicContact CB-CD1 4.22Å; I260-L295 HydrophobicContact CG2-CD1 3.9Å
261	A	98.8	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-54.7	-42.3	174.1	0	0	0	0	0	112.3	L227 L231 T257 I258 M264 K265 L295 F298	L227-A261 HydrophobicContact CD1-CB 3.94Å; L227-A261 HydrophobicContact CD2-CB 3.83Å; L227-A261 HydrophobicContact CG-CB 4.36Å; L231-A261 HydrophobicContact CD1-CB 4.15Å; T257-A261 WeakPolarHBondContact O-CB 3.38Å; T257-A261 PolarHBondContact O-N 3.27Å; I258-A261 PolarHBondContact O-N 2.89Å; A261-M264 PolarHBondContact O-N 3.24Å; A261-K265 PolarHBondContact O-N 3.43Å; A261-L295 HydrophobicContact CB-CD2 3.68Å; A261-F298 HydrophobicContact CB-CD1 4.06Å; A261-F298 HydrophobicContact CB-CE1 3.74Å; A261-F298 HydrophobicContact CB-CZ 4.47Å
262	Y	98.8	Very high	97.5	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	15%	0.154	C	C	.	.	H	α-helix	trans	-63.6	-42.7	175.7	-177.9	-89.3	0	0	0	112.1	L167 H169 L170 L231 I234 E235 I258 A259 I260 R266	L167-Y262 HydrophobicContact CD1-CD1 4.37Å; L167-Y262 HydrophobicContact CD1-CE1 3.82Å; H169-Y262 AromaticContact NE2-CE1 3.74Å; H169-Y262 AromaticContact NE2-CZ 3.52Å; H169-Y262 PolarHBondContact NE2-OH 3.01Å; L170-Y262 HydrophobicContact CD2-CD1 3.39Å; L170-Y262 HydrophobicContact CD2-CE1 3.84Å; L170-Y262 HydrophobicContact CD2-CG 4.08Å; L231-Y262 HydrophobicContact CB-CD2 4.3Å; L231-Y262 HydrophobicContact CD2-CD2 4.32Å; L231-Y262 HydrophobicContact CG-CD2 3.92Å; I234-Y262 HydrophobicContact CB-CD2 3.86Å; I234-Y262 HydrophobicContact CB-CE2 3.68Å; I234-Y262 HydrophobicContact CD1-CD2 3.76Å; I234-Y262 HydrophobicContact CD1-CE2 4.44Å; I234-Y262 HydrophobicContact CD1-CG 4.06Å; I234-Y262 HydrophobicContact CG1-CD2 4.43Å; I234-Y262 HydrophobicContact CG2-CD2 3.76Å; I234-Y262 HydrophobicContact CG2-CE1 4.18Å; I234-Y262 HydrophobicContact CG2-CE2 3.31Å; I234-Y262 HydrophobicContact CG2-CG 4.38Å; E235-Y262 HydrophobicContact CG-CE2 4.34Å; E235-Y262 VanDerWaalsContact OE1-CE2 3.29Å; E235-Y262 WeakPolarHBondContact OE1-CE2 3.37Å; E235-Y262 VanDerWaalsContact OE1-CZ 3.25Å; E235-Y262 PolarHBondContact OE1-OH 3.02Å; I258-Y262 WeakPolarHBondContact O-CB 3.3Å; I258-Y262 PolarHBondContact O-N 3.04Å; A259-Y262 PolarHBondContact O-N 2.64Å; I260-Y262 VanDerWaalsContact C-N 3.26Å; I260-Y262 PolarHBondContact O-N 3.25Å; Y262-R266 HydrophobicContact CD1-CG 4.32Å; Y262-R266 HydrophobicContact CD2-CG 4.14Å; Y262-R266 HydrophobicContact CE1-CB 4.23Å; Y262-R266 HydrophobicContact CE1-CG 3.94Å; Y262-R266 HydrophobicContact CE2-CG 3.71Å; Y262-R266 HydrophobicContact CG-CG 4.42Å; Y262-R266 WeakPolarHBondContact O-CB 3.38Å; Y262-R266 WeakPolarHBondContact O-CG 3.15Å; Y262-R266 PolarHBondContact O-N 3.3Å; Y262-R266 VanDerWaalsContact O-N 3.09Å
263	I	98.6	Very high	97.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-46.1	175.4	-65	-55	0	0	0	111.7	I166 L167 A259 I260 K265 R266 M267 M269 A274 F277 V278	I166-I263 HydrophobicContact CG2-CD1 3.94Å; I166-I263 HydrophobicContact CG2-CG1 4.16Å; L167-I263 HydrophobicContact CD1-CD1 3.44Å; L167-I263 VanDerWaalsContact CD1-CD1 3.44Å; L167-I263 HydrophobicContact CD2-CD1 4.47Å; L167-I263 HydrophobicContact CG-CD1 3.86Å; A259-I263 WeakPolarHBondContact O-CG1 3.34Å; A259-I263 PolarHBondContact O-N 2.84Å; I260-I263 PolarHBondContact O-N 3.1Å; I263-K265 PolarHBondContact O-N 3.11Å; I263-R266 PolarHBondContact O-N 2.94Å; I263-M267 HydrophobicContact CD1-SD 4Å; I263-M267 HydrophobicContact CG2-CB 4.46Å; I263-M267 HydrophobicContact CG2-CG 4.47Å; I263-M267 HydrophobicContact CG2-SD 4.03Å; I263-M267 WeakPolarHBondContact O-CB 3.3Å; I263-M267 PolarHBondContact O-N 3.13Å; I263-M269 HydrophobicContact CG2-SD 3.67Å; I263-A274 HydrophobicContact CB-CB 4.07Å; I263-A274 HydrophobicContact CG2-CB 3.74Å; I263-F277 HydrophobicContact CD1-CD1 4.1Å; I263-F277 HydrophobicContact CD1-CE1 3.65Å; I263-F277 HydrophobicContact CG1-CD1 3.99Å; I263-F277 HydrophobicContact CG1-CE1 4.07Å; I263-F277 HydrophobicContact CG2-CD1 3.99Å; I263-F277 HydrophobicContact CG2-CE1 4.42Å; I263-F277 HydrophobicContact CG2-CG 4.49Å; I263-V278 HydrophobicContact CG1-CG2 4.03Å
264	M	98.3	Very high	97.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-52.3	-57.1	177.7	-64.6	163.1	69.1	0	0	111.4	I260 A261 R266 D268 M269 L271 A274 L295 F298 E299 I302	I260-M264 HydrophobicContact CG2-CG 4.4Å; I260-M264 HydrophobicContact CG2-SD 4Å; I260-M264 VanDerWaalsContact O-CG 3.31Å; I260-M264 WeakPolarHBondContact O-CG 3.41Å; I260-M264 PolarHBondContact O-N 3.38Å; A261-M264 PolarHBondContact O-N 3.24Å; M264-R266 VanDerWaalsContact C-N 3.28Å; M264-R266 PolarHBondContact O-N 3.32Å; M264-D268 WeakPolarHBondContact O-CA 3.21Å; M264-D268 PolarHBondContact O-N 3.12Å; M264-M269 WeakPolarHBondContact CA-O 3.35Å; M264-M269 WeakPolarHBondContact CB-O 3.27Å; M264-M269 PolarHBondContact O-N 3.32Å; M264-L271 HydrophobicContact CE-CB 4.04Å; M264-L271 HydrophobicContact SD-CB 4.31Å; M264-L271 HydrophobicContact SD-CD1 3.89Å; M264-A274 HydrophobicContact CB-CB 4.43Å; M264-A274 HydrophobicContact CG-CB 3.4Å; M264-L295 HydrophobicContact SD-CD2 4.23Å; M264-F298 HydrophobicContact CE-CD1 4.36Å; M264-E299 HydrophobicContact CE-CB 3.54Å; M264-E299 HydrophobicContact CE-CG 3.87Å; M264-I302 HydrophobicContact CB-CD1 4.05Å
265	K	97.1	Very high	97.4	Very high	75 Å²	75	33.6 Å²	33.6	33%	0.326	16%	0.162	S	C	.	.	H	α-helix	trans	-77.4	-3.1	-176.8	178.2	157.4	156.6	174	0	114.4	D228 L231 A261 I263 F298 I302	D228-K265 IonicContact OD1-NZ 4Å; D228-K265 PolarHBondContact OD1-NZ 2.71Å; L231-K265 HydrophobicContact CD2-CB 3.62Å; L231-K265 HydrophobicContact CD2-CD 3.77Å; L231-K265 HydrophobicContact CD2-CG 3.8Å; A261-K265 PolarHBondContact O-N 3.43Å; I263-K265 PolarHBondContact O-N 3.11Å; K265-F298 HydrophobicContact CB-CE1 4.32Å; K265-F298 HydrophobicContact CB-CZ 4.44Å; K265-F298 HydrophobicContact CD-CZ 4.01Å; K265-I302 HydrophobicContact CB-CD1 3.84Å; K265-I302 HydrophobicContact CB-CG1 4.28Å; K265-I302 HydrophobicContact CD-CG1 4.36Å
266	R	96.2	Very high	97.2	Very high	113 Å²	113	39.5 Å²	39.5	43%	0.426	18%	0.184	S	C	.	.	H	α-helix	trans	-118.7	-11.2	178.5	-69.7	-55.1	-45.3	-143.1	-4.9	116	E235 Y262 I263 M264	E235-R266 WeakPolarHBondContact OE1-CD 3.45Å; E235-R266 IonicContact OE1-CZ 2.68Å; E235-R266 IonicContact OE1-NE 2.65Å; E235-R266 IonicContact OE1-NH1 2.64Å; E235-R266 PolarHBondContact OE1-NH1 3.33Å; E235-R266 IonicContact OE2-CZ 3.71Å; E235-R266 IonicContact OE2-NH1 3.16Å; E235-R266 PolarHBondContact OE2-NH1 3.42Å; E235-R266 IonicContact OE2-NH2 2.79Å; Y262-R266 HydrophobicContact CD1-CG 4.32Å; Y262-R266 HydrophobicContact CD2-CG 4.14Å; Y262-R266 HydrophobicContact CE1-CB 4.23Å; Y262-R266 HydrophobicContact CE1-CG 3.94Å; Y262-R266 HydrophobicContact CE2-CG 3.71Å; Y262-R266 HydrophobicContact CG-CG 4.42Å; Y262-R266 WeakPolarHBondContact O-CB 3.38Å; Y262-R266 WeakPolarHBondContact O-CG 3.15Å; Y262-R266 PolarHBondContact O-N 3.3Å; Y262-R266 VanDerWaalsContact O-N 3.09Å; I263-R266 PolarHBondContact O-N 2.94Å; M264-R266 VanDerWaalsContact C-N 3.28Å; M264-R266 PolarHBondContact O-N 3.32Å
267	M	95.2	Very high	97	Very high	78 Å²	78	41.4 Å²	41.4	38%	0.384	19%	0.192	S	C	.	.	H	α-helix	trans	-127.2	8.7	178.5	-60.8	-174.9	62.1	0	0	112.6	L167 I263 M269 F277	L167-M267 HydrophobicContact CD2-SD 4.14Å; I263-M267 HydrophobicContact CD1-SD 4Å; I263-M267 HydrophobicContact CG2-CB 4.46Å; I263-M267 HydrophobicContact CG2-CG 4.47Å; I263-M267 HydrophobicContact CG2-SD 4.03Å; I263-M267 WeakPolarHBondContact O-CB 3.3Å; I263-M267 PolarHBondContact O-N 3.13Å; M267-M269 VanDerWaalsContact C-N 3.32Å; M267-M269 HydrophobicContact CB-CE 4.36Å; M267-M269 HydrophobicContact CB-CG 4Å; M267-M269 HydrophobicContact CB-SD 4.02Å; M267-M269 HydrophobicContact CE-CE 3.83Å; M267-M269 HydrophobicContact CE-SD 4.42Å; M267-M269 PolarHBondContact O-N 3.05Å; M267-F277 HydrophobicContact CE-CE2 4.07Å; M267-F277 HydrophobicContact CE-CZ 4.13Å; M267-F277 HydrophobicContact SD-CE1 4.22Å; M267-F277 HydrophobicContact SD-CE2 4.38Å; M267-F277 HydrophobicContact SD-CZ 3.91Å
268	D	95.1	Very high	97	Very high	130 Å²	130	41.4 Å²	41.4	70%	0.695	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.1	53.1	-173.1	-167.4	25	0	0	0	112.4	M264	M264-D268 WeakPolarHBondContact O-CA 3.21Å; M264-D268 PolarHBondContact O-N 3.12Å
269	M	95.9	Very high	96.8	Very high	47 Å²	47	43.5 Å²	43.5	23%	0.232	20%	0.202	C	C	.	.			trans	-107.5	137.7	-177.4	-77.9	-178.4	169.1	0	0	110.9	I263 M264 M267 E273 A274	I263-M269 HydrophobicContact CG2-SD 3.67Å; M264-M269 WeakPolarHBondContact CA-O 3.35Å; M264-M269 WeakPolarHBondContact CB-O 3.27Å; M264-M269 PolarHBondContact O-N 3.32Å; M267-M269 VanDerWaalsContact C-N 3.32Å; M267-M269 HydrophobicContact CB-CE 4.36Å; M267-M269 HydrophobicContact CB-CG 4Å; M267-M269 HydrophobicContact CB-SD 4.02Å; M267-M269 HydrophobicContact CE-CE 3.83Å; M267-M269 HydrophobicContact CE-SD 4.42Å; M267-M269 PolarHBondContact O-N 3.05Å; M269-E273 HydrophobicContact CB-CB 4.02Å; M269-E273 HydrophobicContact CG-CB 4.12Å; M269-E273 HydrophobicContact SD-CB 4.37Å; M269-A274 HydrophobicContact CB-CB 4.08Å
270	S	96.4	Very high	96.5	Very high	29 Å²	29	51 Å²	51	20%	0.203	24%	0.236	C	C	.	.			trans	-60	163.4	164.9	65.7	0	0	0	0	111.1	D272 E273 A274 E299	S270-D272 PolarHBondContact O-N 3.4Å; S270-E273 VanDerWaalsContact CB-OE2 3.3Å; S270-E273 WeakPolarHBondContact CB-OE2 3.47Å; S270-E273 PolarHBondContact N-OE2 3.39Å; S270-E273 PolarHBondContact O-N 3.49Å; S270-E273 VanDerWaalsContact OG-CD 3.31Å; S270-E273 WeakPolarHBondContact OG-CG 3.43Å; S270-E273 PolarHBondContact OG-N 3.29Å; S270-E273 PolarHBondContact OG-OE2 3.27Å; S270-A274 WeakPolarHBondContact O-CB 3.3Å; S270-A274 PolarHBondContact O-N 2.82Å; S270-E299 WeakPolarHBondContact CA-OE1 3.31Å; S270-E299 WeakPolarHBondContact CB-OE1 3.43Å
271	L	97.7	Very high	96.3	Very high	12 Å²	12	54.7 Å²	54.7	6%	0.063	25%	0.252	C	S	.	.	H	α-helix	trans	-56.7	-41.5	176.7	174.5	58.8	0	0	0	111.8	I260 M264 E273 A274 Y275 L292 L295 L296 E299	I260-L271 HydrophobicContact CG2-CD1 3.44Å; I260-L271 VanDerWaalsContact CG2-CD1 3.44Å; M264-L271 HydrophobicContact CE-CB 4.04Å; M264-L271 HydrophobicContact SD-CB 4.31Å; M264-L271 HydrophobicContact SD-CD1 3.89Å; L271-E273 PolarHBondContact O-N 3.22Å; L271-A274 PolarHBondContact O-N 3.18Å; L271-Y275 WeakPolarHBondContact O-CB 3.43Å; L271-Y275 PolarHBondContact O-N 3.05Å; L271-L292 HydrophobicContact CD2-CD2 4.37Å; L271-L295 HydrophobicContact CD1-CB 3.79Å; L271-L295 HydrophobicContact CD1-CD1 3.6Å; L271-L295 HydrophobicContact CD1-CG 4.29Å; L271-L295 HydrophobicContact CD2-CB 3.81Å; L271-L295 HydrophobicContact CG-CB 4.39Å; L271-L296 HydrophobicContact CB-CD2 4.21Å; L271-L296 HydrophobicContact CD2-CD1 3.99Å; L271-L296 HydrophobicContact CD2-CD2 3.73Å; L271-L296 HydrophobicContact CD2-CG 3.49Å; L271-L296 VanDerWaalsContact CD2-CG 3.49Å; L271-E299 WeakPolarHBondContact CB-OE2 3.43Å; L271-E299 PolarHBondContact N-OE2 2.92Å
272	D	93.9	Very high	96.1	Very high	95 Å²	95	55.6 Å²	55.6	51%	0.508	26%	0.256	S	S	.	.	H	α-helix	trans	-64	-41.6	-177.4	-176.6	61.1	0	0	0	111.7	S270 R276	S270-D272 PolarHBondContact O-N 3.4Å; D272-R276 WeakPolarHBondContact O-CB 3.19Å; D272-R276 VanDerWaalsContact O-CG 3.29Å; D272-R276 WeakPolarHBondContact O-CG 3.5Å; D272-R276 PolarHBondContact O-N 2.96Å; D272-R276 PolarHBondContact O-NE 2.89Å; D272-R276 IonicContact OD1-NE 2.83Å; D272-R276 IonicContact OD2-CZ 3.74Å; D272-R276 IonicContact OD2-NE 3.62Å; D272-R276 PolarHBondContact OD2-NE 2.86Å; D272-R276 IonicContact OD2-NH2 2.67Å; D272-R276 PolarHBondContact OD2-NH2 3.01Å
273	E	94.6	Very high	95.7	Very high	83 Å²	83	59.5 Å²	59.5	39%	0.388	28%	0.282	S	S	.	.	H	α-helix	trans	-66.9	-47.8	176.2	-67.6	163.5	129.1	0	0	112.2	M269 S270 L271 Y275 R276 F277	M269-E273 HydrophobicContact CB-CB 4.02Å; M269-E273 HydrophobicContact CG-CB 4.12Å; M269-E273 HydrophobicContact SD-CB 4.37Å; S270-E273 VanDerWaalsContact CB-OE2 3.3Å; S270-E273 WeakPolarHBondContact CB-OE2 3.47Å; S270-E273 PolarHBondContact N-OE2 3.39Å; S270-E273 PolarHBondContact O-N 3.49Å; S270-E273 VanDerWaalsContact OG-CD 3.31Å; S270-E273 WeakPolarHBondContact OG-CG 3.43Å; S270-E273 PolarHBondContact OG-N 3.29Å; S270-E273 PolarHBondContact OG-OE2 3.27Å; L271-E273 PolarHBondContact O-N 3.22Å; E273-Y275 VanDerWaalsContact C-N 3.34Å; E273-Y275 PolarHBondContact O-N 3.14Å; E273-R276 PolarHBondContact O-N 2.85Å; E273-F277 WeakPolarHBondContact O-CB 3.14Å; E273-F277 PolarHBondContact O-N 3.21Å
274	A	98.1	Very high	95.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.5	-36.9	178.6	0	0	0	0	0	112.2	I260 I263 M264 M269 S270 L271 V278	I260-A274 HydrophobicContact CG2-CB 3.9Å; I263-A274 HydrophobicContact CB-CB 4.07Å; I263-A274 HydrophobicContact CG2-CB 3.74Å; M264-A274 HydrophobicContact CB-CB 4.43Å; M264-A274 HydrophobicContact CG-CB 3.4Å; M269-A274 HydrophobicContact CB-CB 4.08Å; S270-A274 WeakPolarHBondContact O-CB 3.3Å; S270-A274 PolarHBondContact O-N 2.82Å; L271-A274 PolarHBondContact O-N 3.18Å; A274-V278 WeakPolarHBondContact O-CG2 3.37Å; A274-V278 PolarHBondContact O-N 2.88Å; A274-V278 VanDerWaalsContact O-N 3.14Å
275	Y	97.9	Very high	95.3	Very high	41 Å²	41	62.6 Å²	62.6	16%	0.161	30%	0.3	C	S	.	.	H	α-helix	trans	-63	-50.5	172.9	-176.5	-81.5	0	0	0	110.6	I260 L271 E273 F277 V278 K279 I285 P287 L292	I260-Y275 HydrophobicContact CD1-CD2 3.81Å; I260-Y275 HydrophobicContact CD1-CE2 4.49Å; I260-Y275 HydrophobicContact CD1-CG 4.47Å; L271-Y275 WeakPolarHBondContact O-CB 3.43Å; L271-Y275 PolarHBondContact O-N 3.05Å; E273-Y275 VanDerWaalsContact C-N 3.34Å; E273-Y275 PolarHBondContact O-N 3.14Å; Y275-F277 PolarHBondContact O-N 3.29Å; Y275-V278 PolarHBondContact O-N 2.81Å; Y275-K279 HydrophobicContact CD1-CB 4.32Å; Y275-K279 HydrophobicContact CE1-CB 4.2Å; Y275-K279 HydrophobicContact CE1-CD 4.4Å; Y275-K279 HydrophobicContact CE1-CG 4.28Å; Y275-K279 WeakPolarHBondContact O-CB 3.44Å; Y275-K279 PolarHBondContact O-N 2.97Å; Y275-I285 HydrophobicContact CE2-CD1 4.33Å; Y275-P287 HydrophobicContact CE2-CG 4.16Å; Y275-L292 HydrophobicContact CD2-CD2 3.93Å; Y275-L292 HydrophobicContact CE2-CD2 4Å
276	R	93.6	Very high	95.2	Very high	125 Å²	125	59.7 Å²	59.7	47%	0.472	29%	0.29	S	S	.	.	H	α-helix	trans	-58.8	-45.4	177.6	-77.2	-176.3	-79.7	102.3	-7.8	111.8	D272 E273 V278 K279 E280	D272-R276 WeakPolarHBondContact O-CB 3.19Å; D272-R276 VanDerWaalsContact O-CG 3.29Å; D272-R276 WeakPolarHBondContact O-CG 3.5Å; D272-R276 PolarHBondContact O-N 2.96Å; D272-R276 PolarHBondContact O-NE 2.89Å; D272-R276 IonicContact OD1-NE 2.83Å; D272-R276 IonicContact OD2-CZ 3.74Å; D272-R276 IonicContact OD2-NE 3.62Å; D272-R276 PolarHBondContact OD2-NE 2.86Å; D272-R276 IonicContact OD2-NH2 2.67Å; D272-R276 PolarHBondContact OD2-NH2 3.01Å; E273-R276 PolarHBondContact O-N 2.85Å; R276-V278 VanDerWaalsContact C-N 3.34Å; R276-V278 PolarHBondContact O-N 2.83Å; R276-K279 PolarHBondContact O-N 3.05Å; R276-E280 WeakPolarHBondContact O-CB 3.47Å; R276-E280 PolarHBondContact O-N 3.04Å
277	F	96.4	Very high	95.3	Very high	39 Å²	39	54.3 Å²	54.3	17%	0.171	27%	0.27	C	S	.	.	H	α-helix	trans	-59.9	-37.9	177.7	179.7	-91.7	0	0	0	113.5	I166 L167 I263 M267 E273 Y275 K281	I166-F277 HydrophobicContact CG2-CD1 4.38Å; I166-F277 HydrophobicContact CG2-CE1 3.93Å; L167-F277 HydrophobicContact CD2-CE1 4.36Å; L167-F277 HydrophobicContact CD2-CZ 4.02Å; I263-F277 HydrophobicContact CD1-CD1 4.1Å; I263-F277 HydrophobicContact CD1-CE1 3.65Å; I263-F277 HydrophobicContact CG1-CD1 3.99Å; I263-F277 HydrophobicContact CG1-CE1 4.07Å; I263-F277 HydrophobicContact CG2-CD1 3.99Å; I263-F277 HydrophobicContact CG2-CE1 4.42Å; I263-F277 HydrophobicContact CG2-CG 4.49Å; M267-F277 HydrophobicContact CE-CE2 4.07Å; M267-F277 HydrophobicContact CE-CZ 4.13Å; M267-F277 HydrophobicContact SD-CE1 4.22Å; M267-F277 HydrophobicContact SD-CE2 4.38Å; M267-F277 HydrophobicContact SD-CZ 3.91Å; E273-F277 WeakPolarHBondContact O-CB 3.14Å; E273-F277 PolarHBondContact O-N 3.21Å; Y275-F277 PolarHBondContact O-N 3.29Å; F277-K281 HydrophobicContact CE1-CD 4.43Å; F277-K281 WeakPolarHBondContact O-CG 3.5Å
278	V	97.9	Very high	95.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-79.5	-35.2	175.6	180	0	0	0	0	111.4	I166 L172 I260 I263 A274 Y275 R276 K281 R282 I285	I166-V278 HydrophobicContact CD1-CG1 4.21Å; I166-V278 HydrophobicContact CG2-CG2 4.16Å; L172-V278 HydrophobicContact CD2-CG1 3.61Å; I260-V278 HydrophobicContact CG1-CB 3.95Å; I260-V278 HydrophobicContact CG1-CG1 4.31Å; I260-V278 HydrophobicContact CG1-CG2 3.85Å; I263-V278 HydrophobicContact CG1-CG2 4.03Å; A274-V278 WeakPolarHBondContact O-CG2 3.37Å; A274-V278 PolarHBondContact O-N 2.88Å; A274-V278 VanDerWaalsContact O-N 3.14Å; Y275-V278 PolarHBondContact O-N 2.81Å; R276-V278 VanDerWaalsContact C-N 3.34Å; R276-V278 PolarHBondContact O-N 2.83Å; V278-K281 PolarHBondContact O-N 2.96Å; V278-R282 PolarHBondContact O-N 3Å; V278-I285 HydrophobicContact CB-CD1 4.09Å; V278-I285 HydrophobicContact CG1-CD1 3.83Å; V278-I285 HydrophobicContact CG1-CG1 4.42Å; V278-I285 HydrophobicContact CG1-CG2 4.35Å
279	K	95.4	Very high	94.9	Very high	45 Å²	45	50.8 Å²	50.8	20%	0.196	25%	0.247	C	C	.	.	H	α-helix	trans	-65.5	-41.3	178	-177.9	69.7	173	178.7	0	112.5	N42 Y275 R276 K281 R282 P283 I285	N42-K279 PolarHBondContact O-NZ 3.37Å; N42-K279 VanDerWaalsContact O-NZ 3.14Å; Y275-K279 HydrophobicContact CD1-CB 4.32Å; Y275-K279 HydrophobicContact CE1-CB 4.2Å; Y275-K279 HydrophobicContact CE1-CD 4.4Å; Y275-K279 HydrophobicContact CE1-CG 4.28Å; Y275-K279 WeakPolarHBondContact O-CB 3.44Å; Y275-K279 PolarHBondContact O-N 2.97Å; R276-K279 PolarHBondContact O-N 3.05Å; K279-K281 VanDerWaalsContact C-N 3.32Å; K279-K281 PolarHBondContact O-N 3.12Å; K279-R282 CarbonylContact O-C 3.53Å; K279-R282 PolarHBondContact O-N 3.05Å; K279-P283 WeakPolarHBondContact CE-O 3.44Å; K279-P283 PolarHBondContact NZ-O 3.21Å; K279-P283 VanDerWaalsContact O-CA 3.23Å; K279-P283 WeakPolarHBondContact O-CA 3.46Å; K279-I285 HydrophobicContact CB-CD1 4.09Å; K279-I285 HydrophobicContact CB-CG1 4.09Å; K279-I285 HydrophobicContact CD-CG1 3.84Å; K279-I285 PolarHBondContact NZ-O 2.98Å
280	E	92.4	Very high	94.9	Very high	156 Å²	156	50.3 Å²	50.3	73%	0.729	25%	0.246	S	C	*	.	H	α-helix	trans	-57.6	-45.7	175.3	-174.2	-172.6	170.9	0	0	111.2	R276	R276-E280 WeakPolarHBondContact O-CB 3.47Å; R276-E280 PolarHBondContact O-N 3.04Å
281	K	93.9	Very high	94.9	Very high	78 Å²	78	49 Å²	49	34%	0.339	24%	0.236	S	C	.	.	H	α-helix	trans	-75.8	-35.3	-178.9	-59.3	-177.9	-167.9	-157.1	0	112.6	T164 I166 F277 V278 K279	T164-K281 HydrophobicContact CG2-CB 3.85Å; T164-K281 WeakPolarHBondContact CG2-O 3.46Å; I166-K281 HydrophobicContact CD1-CB 4.09Å; I166-K281 HydrophobicContact CD1-CD 4.41Å; I166-K281 PolarHBondContact O-NZ 3.3Å; F277-K281 HydrophobicContact CE1-CD 4.43Å; F277-K281 WeakPolarHBondContact O-CG 3.5Å; V278-K281 PolarHBondContact O-N 2.96Å; K279-K281 VanDerWaalsContact C-N 3.32Å; K279-K281 PolarHBondContact O-N 3.12Å
282	R	94.4	Very high	94.9	Very high	19 Å²	19	49.8 Å²	49.8	7%	0.072	24%	0.24	C	C	.	.			trans	-130.8	83.9	178.1	-167.4	174.2	-178.9	88.9	-1.8	110.5	T164 L172 G251 V278 K279 T284 I285	T164-R282 HydrophobicContact CG2-CB 4.08Å; T164-R282 WeakPolarHBondContact OG1-CD 3.39Å; T164-R282 PolarHBondContact OG1-NH1 3.01Å; L172-R282 PolarHBondContact O-NH1 3.06Å; G251-R282 PolarHBondContact O-NE 3.37Å; V278-R282 PolarHBondContact O-N 3Å; K279-R282 CarbonylContact O-C 3.53Å; K279-R282 PolarHBondContact O-N 3.05Å; R282-T284 PolarHBondContact O-N 3.03Å; R282-I285 HydrophobicContact CB-CG2 3.99Å; R282-I285 HydrophobicContact CG-CG2 3.93Å; R282-I285 WeakPolarHBondContact O-CG1 3.4Å; R282-I285 PolarHBondContact O-N 3.3Å
283	P	90.6	Very high	95.1	Very high	84 Å²	84	46.6 Å²	46.6	55%	0.545	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-19.6	-177.4	-30.3	37.4	0	0	0	115.1	K279 I285	K279-P283 WeakPolarHBondContact CE-O 3.44Å; K279-P283 PolarHBondContact NZ-O 3.21Å; K279-P283 VanDerWaalsContact O-CA 3.23Å; K279-P283 WeakPolarHBondContact O-CA 3.46Å; P283-I285 VanDerWaalsContact C-N 3.31Å; P283-I285 PolarHBondContact O-N 3.35Å
284	T	91.8	Very high	95.2	Very high	65 Å²	65	43.5 Å²	43.5	40%	0.399	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-2.9	176.6	55.1	0	0	0	0	114.9	R282	R282-T284 PolarHBondContact O-N 3.03Å
285	I	96.7	Very high	95.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.216	C	C	.	.			trans	-69.4	139.9	176.6	65.9	139.2	0	0	0	112.4	L172 I252 A256 I260 Y275 V278 K279 R282 P283	L172-I285 HydrophobicContact CD2-CG2 3.86Å; I252-I285 WeakPolarHBondContact O-CA 3.37Å; A256-I285 HydrophobicContact CB-CB 3.83Å; A256-I285 HydrophobicContact CB-CD1 4.47Å; A256-I285 HydrophobicContact CB-CG2 3.56Å; I260-I285 HydrophobicContact CD1-CD1 3.92Å; Y275-I285 HydrophobicContact CE2-CD1 4.33Å; V278-I285 HydrophobicContact CB-CD1 4.09Å; V278-I285 HydrophobicContact CG1-CD1 3.83Å; V278-I285 HydrophobicContact CG1-CG1 4.42Å; V278-I285 HydrophobicContact CG1-CG2 4.35Å; K279-I285 HydrophobicContact CB-CD1 4.09Å; K279-I285 HydrophobicContact CB-CG1 4.09Å; K279-I285 HydrophobicContact CD-CG1 3.84Å; K279-I285 PolarHBondContact NZ-O 2.98Å; R282-I285 HydrophobicContact CB-CG2 3.99Å; R282-I285 HydrophobicContact CG-CG2 3.93Å; R282-I285 WeakPolarHBondContact O-CG1 3.4Å; R282-I285 PolarHBondContact O-N 3.3Å; P283-I285 VanDerWaalsContact C-N 3.31Å; P283-I285 PolarHBondContact O-N 3.35Å
286	S	95.3	Very high	95.2	Very high	14 Å²	14	43.5 Å²	43.5	10%	0.098	22%	0.218	C	C	.	.			trans	-160.8	71.4	176.6	175	0	0	0	0	109.8	I252 N288	I252-S286 CarbonylContact O-C 3.57Å; I252-S286 PolarHBondContact O-N 3.33Å; S286-N288 PolarHBondContact O-N 2.65Å
287	P	97.2	Very high	95.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	21%	0.21	C	C	.	.			trans	-41.2	135.7	162.3	-30.1	34.4	0	0	0	112.9	A256 I260 Y275 L292	A256-P287 HydrophobicContact CB-CG 4.14Å; I260-P287 HydrophobicContact CD1-CG 3.82Å; Y275-P287 HydrophobicContact CE2-CG 4.16Å; P287-L292 HydrophobicContact CB-CD2 3.88Å; P287-L292 HydrophobicContact CB-CG 4.04Å; P287-L292 HydrophobicContact CG-CD2 4.4Å
288	N	91.3	Very high	95.4	Very high	21 Å²	21	38.6 Å²	38.6	11%	0.112	20%	0.203	C	C	.	.			trans	-69.1	155.5	175.9	75.9	57.3	0	0	0	111.2	D217 F219 S253 S286 N290 F291 L292	D217-N288 PolarHBondContact OD1-ND2 3.4Å; F219-N288 HydrophobicContact CE1-CB 4.43Å; S253-N288 PolarHBondContact OG-N 3.23Å; S286-N288 PolarHBondContact O-N 2.65Å; N288-N290 PolarHBondContact O-N 2.76Å; N288-N290 VanDerWaalsContact O-N 3.13Å; N288-N290 WeakPolarHBondContact OD1-CB 3.5Å; N288-N290 PolarHBondContact OD1-N 3Å; N288-N290 VanDerWaalsContact OD1-N 3.09Å; N288-F291 WeakPolarHBondContact ND2-CD2 3.44Å; N288-F291 WeakPolarHBondContact ND2-CE2 3.42Å; N288-F291 WeakPolarHBondContact O-CB 3.34Å; N288-F291 PolarHBondContact O-N 2.93Å; N288-F291 PolarHBondContact OD1-N 3.31Å; N288-F291 VanDerWaalsContact OD1-N 3.09Å; N288-L292 PolarHBondContact O-N 3.48Å
289	F	91.9	Very high	95.4	Very high	112 Å²	112	40 Å²	40	49%	0.491	21%	0.209	S	C	.	.	H	α-helix	trans	-60.5	-25.9	-174.1	-65.8	-68.5	0	0	0	115	F38 L292 G293	F38-F289 HydrophobicContact CD1-CZ 4.36Å; F38-F289 HydrophobicContact CD2-CZ 4.48Å; F38-F289 HydrophobicContact CE1-CE1 4.5Å; F38-F289 AromaticContact CE1-CZ 3.96Å; F38-F289 HydrophobicContact CE1-CZ 3.96Å; F38-F289 HydrophobicContact CE2-CZ 4.09Å; F38-F289 HydrophobicContact CZ-CE1 4.19Å; F38-F289 AromaticContact CZ-CZ 3.8Å; F38-F289 HydrophobicContact CZ-CZ 3.8Å; F289-L292 HydrophobicContact CD1-CD1 4.16Å; F289-G293 PolarHBondContact O-N 3.37Å
290	N	94.6	Very high	95.3	Very high	38 Å²	38	41.2 Å²	41.2	20%	0.203	22%	0.215	C	C	.	.	H	α-helix	trans	-69.8	-39.2	174.1	163.7	48.7	0	0	0	111	S218 E221 N288 G293 Q294	S218-N290 PolarHBondContact O-ND2 2.97Å; E221-N290 PolarHBondContact N-ND2 3.02Å; E221-N290 PolarHBondContact O-ND2 3.26Å; N288-N290 PolarHBondContact O-N 2.76Å; N288-N290 VanDerWaalsContact O-N 3.13Å; N288-N290 WeakPolarHBondContact OD1-CB 3.5Å; N288-N290 PolarHBondContact OD1-N 3Å; N288-N290 VanDerWaalsContact OD1-N 3.09Å; N290-G293 PolarHBondContact O-N 3.33Å; N290-Q294 VanDerWaalsContact CG-NE2 3.34Å; N290-Q294 PolarHBondContact ND2-NE2 3.33Å; N290-Q294 WeakPolarHBondContact O-CG 3.48Å; N290-Q294 PolarHBondContact O-N 3.36Å; N290-Q294 PolarHBondContact O-NE2 3.1Å; N290-Q294 PolarHBondContact OD1-NE2 2.89Å
291	F	98	Very high	95.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-71.7	-36.5	173.8	-64.9	-18.2	0	0	0	113.2	N216 E221 I223 R254 T257 N288 G293 Q294 L295	N216-F291 WeakPolarHBondContact O-CZ 3.08Å; E221-F291 HydrophobicContact CB-CE1 3.94Å; E221-F291 HydrophobicContact CB-CZ 4.09Å; E221-F291 HydrophobicContact CG-CE1 4.21Å; E221-F291 HydrophobicContact CG-CZ 4.2Å; I223-F291 HydrophobicContact CB-CD1 4.04Å; I223-F291 HydrophobicContact CB-CE1 3.84Å; I223-F291 HydrophobicContact CB-CZ 4.41Å; I223-F291 HydrophobicContact CD1-CE2 4.5Å; I223-F291 HydrophobicContact CD1-CZ 4.45Å; I223-F291 HydrophobicContact CG2-CB 4.41Å; I223-F291 HydrophobicContact CG2-CD1 3.39Å; I223-F291 HydrophobicContact CG2-CE1 3.74Å; I223-F291 HydrophobicContact CG2-CG 3.94Å; R254-F291 HydrophobicContact CB-CE2 4.47Å; R254-F291 HydrophobicContact CG-CE2 3.54Å; R254-F291 HydrophobicContact CG-CZ 4.04Å; T257-F291 HydrophobicContact CG2-CB 3.81Å; T257-F291 HydrophobicContact CG2-CG 4.31Å; N288-F291 WeakPolarHBondContact ND2-CD2 3.44Å; N288-F291 WeakPolarHBondContact ND2-CE2 3.42Å; N288-F291 WeakPolarHBondContact O-CB 3.34Å; N288-F291 PolarHBondContact O-N 2.93Å; N288-F291 PolarHBondContact OD1-N 3.31Å; N288-F291 VanDerWaalsContact OD1-N 3.09Å; F291-G293 VanDerWaalsContact C-N 3.35Å; F291-Q294 PolarHBondContact O-N 3.22Å; F291-L295 WeakPolarHBondContact O-CG 3.33Å; F291-L295 PolarHBondContact O-N 2.98Å
292	L	97.6	Very high	95.2	Very high	29 Å²	29	34.9 Å²	34.9	15%	0.152	19%	0.189	C	C	.	.	H	α-helix	trans	-61.8	-42.6	170.9	-67.1	173.9	0	0	0	111.5	L271 Y275 P287 N288 F289 Q294 L295 L296	L271-L292 HydrophobicContact CD2-CD2 4.37Å; Y275-L292 HydrophobicContact CD2-CD2 3.93Å; Y275-L292 HydrophobicContact CE2-CD2 4Å; P287-L292 HydrophobicContact CB-CD2 3.88Å; P287-L292 HydrophobicContact CB-CG 4.04Å; P287-L292 HydrophobicContact CG-CD2 4.4Å; N288-L292 PolarHBondContact O-N 3.48Å; F289-L292 HydrophobicContact CD1-CD1 4.16Å; L292-Q294 PolarHBondContact O-N 3.07Å; L292-L295 PolarHBondContact O-N 3.19Å; L292-L296 VanDerWaalsContact O-CD1 3.31Å; L292-L296 WeakPolarHBondContact O-CD1 3.28Å; L292-L296 WeakPolarHBondContact O-CG 3.49Å; L292-L296 PolarHBondContact O-N 2.81Å
293	G	96.6	Very high	94.5	Very high	29 Å²	29	39.6 Å²	39.6	30%	0.299	21%	0.21	S	C	.	.	H	α-helix	trans	-57.5	-46	172	0	0	0	0	0	112.9	F289 N290 F291 L295 L296 D297	F289-G293 PolarHBondContact O-N 3.37Å; N290-G293 PolarHBondContact O-N 3.33Å; F291-G293 VanDerWaalsContact C-N 3.35Å; G293-L295 VanDerWaalsContact C-N 3.34Å; G293-L295 PolarHBondContact O-N 2.94Å; G293-L296 WeakPolarHBondContact O-CB 3.33Å; G293-L296 PolarHBondContact O-N 3.05Å; G293-L296 VanDerWaalsContact O-N 3.12Å; G293-D297 PolarHBondContact O-N 3.44Å; G293-D297 VanDerWaalsContact O-N 3.11Å
294	Q	98.2	Very high	93.6	Very high	18 Å²	18	39.2 Å²	39.2	8%	0.084	21%	0.209	C	C	.	.	H	α-helix	trans	-65.4	-31.6	176.8	-79.3	174.8	68.3	0	0	113.7	E221 L224 N290 F291 L292 D297 F298	E221-Q294 PolarHBondContact O-NE2 3.07Å; L224-Q294 HydrophobicContact CB-CB 4.12Å; L224-Q294 HydrophobicContact CB-CG 4.15Å; N290-Q294 VanDerWaalsContact CG-NE2 3.34Å; N290-Q294 PolarHBondContact ND2-NE2 3.33Å; N290-Q294 WeakPolarHBondContact O-CG 3.48Å; N290-Q294 PolarHBondContact O-N 3.36Å; N290-Q294 PolarHBondContact O-NE2 3.1Å; N290-Q294 PolarHBondContact OD1-NE2 2.89Å; F291-Q294 PolarHBondContact O-N 3.22Å; L292-Q294 PolarHBondContact O-N 3.07Å; Q294-D297 PolarHBondContact O-N 3.47Å; Q294-F298 PolarHBondContact O-N 3.46Å
295	L	98.4	Very high	92.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-70.3	-33.5	171.2	-70.5	174	0	0	0	112.2	L227 T257 I260 A261 M264 L271 F291 L292 G293 D297 F298 E299	L227-L295 HydrophobicContact CD1-CD2 4.11Å; T257-L295 HydrophobicContact CG2-CD1 3.84Å; T257-L295 HydrophobicContact CG2-CD2 4.02Å; T257-L295 HydrophobicContact CG2-CG 3.88Å; I260-L295 HydrophobicContact CB-CD1 4.22Å; I260-L295 HydrophobicContact CG2-CD1 3.9Å; A261-L295 HydrophobicContact CB-CD2 3.68Å; M264-L295 HydrophobicContact SD-CD2 4.23Å; L271-L295 HydrophobicContact CD1-CB 3.79Å; L271-L295 HydrophobicContact CD1-CD1 3.6Å; L271-L295 HydrophobicContact CD1-CG 4.29Å; L271-L295 HydrophobicContact CD2-CB 3.81Å; L271-L295 HydrophobicContact CG-CB 4.39Å; F291-L295 WeakPolarHBondContact O-CG 3.33Å; F291-L295 PolarHBondContact O-N 2.98Å; L292-L295 PolarHBondContact O-N 3.19Å; G293-L295 VanDerWaalsContact C-N 3.34Å; G293-L295 PolarHBondContact O-N 2.94Å; L295-D297 VanDerWaalsContact C-N 3.27Å; L295-D297 PolarHBondContact O-N 3.34Å; L295-F298 WeakPolarHBondContact O-CB 3.3Å; L295-F298 PolarHBondContact O-N 2.97Å; L295-E299 PolarHBondContact O-N 3.25Å
296	L	97.3	Very high	90.6	Very high	41 Å²	41	47 Å²	47	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-70.8	-24.3	175.3	-68.9	152	0	0	0	112.3	L271 L292 G293 K300 F598	L271-L296 HydrophobicContact CB-CD2 4.21Å; L271-L296 HydrophobicContact CD2-CD1 3.99Å; L271-L296 HydrophobicContact CD2-CD2 3.73Å; L271-L296 HydrophobicContact CD2-CG 3.49Å; L271-L296 VanDerWaalsContact CD2-CG 3.49Å; L292-L296 VanDerWaalsContact O-CD1 3.31Å; L292-L296 WeakPolarHBondContact O-CD1 3.28Å; L292-L296 WeakPolarHBondContact O-CG 3.49Å; L292-L296 PolarHBondContact O-N 2.81Å; G293-L296 WeakPolarHBondContact O-CB 3.33Å; G293-L296 PolarHBondContact O-N 3.05Å; G293-L296 VanDerWaalsContact O-N 3.12Å; L296-K300 WeakPolarHBondContact O-CD 3.42Å; L296-K300 WeakPolarHBondContact O-CE 3.4Å; L296-K300 WeakPolarHBondContact O-CG 3.35Å; L296-F598 HydrophobicContact CB-CE1 3.91Å; L296-F598 HydrophobicContact CB-CZ 3.63Å; L296-F598 HydrophobicContact CD1-CE1 4.32Å; L296-F598 HydrophobicContact CD1-CE2 3.74Å; L296-F598 HydrophobicContact CD1-CZ 3.39Å; L296-F598 HydrophobicContact CD2-CE1 3.9Å; L296-F598 HydrophobicContact CD2-CE2 4.45Å; L296-F598 HydrophobicContact CD2-CZ 3.79Å; L296-F598 HydrophobicContact CG-CE1 4.21Å; L296-F598 HydrophobicContact CG-CE2 4.49Å; L296-F598 HydrophobicContact CG-CZ 3.73Å
297	D	97.1	Very high	88.5	Confident	57 Å²	57	49.1 Å²	49.1	31%	0.305	27%	0.273	S	S	.	.	H	α-helix	trans	-79	-37.6	167.3	-66.8	-31.5	0	0	0	111.9	L224 G293 Q294 L295 E299 K300 N301	L224-D297 HydrophobicContact CD2-CB 4.23Å; G293-D297 PolarHBondContact O-N 3.44Å; G293-D297 VanDerWaalsContact O-N 3.11Å; Q294-D297 PolarHBondContact O-N 3.47Å; L295-D297 VanDerWaalsContact C-N 3.27Å; L295-D297 PolarHBondContact O-N 3.34Å; D297-E299 VanDerWaalsContact C-N 3.34Å; D297-E299 PolarHBondContact O-N 2.69Å; D297-K300 PolarHBondContact O-N 2.98Å; D297-K300 IonicContact OD1-NZ 3.42Å; D297-K300 PolarHBondContact OD1-NZ 3.24Å; D297-N301 PolarHBondContact O-N 3.39Å; D297-N301 PolarHBondContact O-OD1 3Å
298	F	97.8	Very high	86	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.018	30%	0.302	C	S	.	.	H	α-helix	trans	-60.5	-39.8	172.7	-170.7	-117.6	0	0	0	112.7	L224 L227 L231 A261 M264 K265 Q294 L295 K300 N301 I302	L224-F298 HydrophobicContact CD1-CB 3.84Å; L224-F298 HydrophobicContact CD1-CD2 3.89Å; L224-F298 HydrophobicContact CD1-CG 4.29Å; L227-F298 HydrophobicContact CB-CD2 4.3Å; L227-F298 HydrophobicContact CB-CE2 3.91Å; L227-F298 HydrophobicContact CB-CZ 4.2Å; L227-F298 HydrophobicContact CD1-CB 4.06Å; L227-F298 HydrophobicContact CD1-CD1 4.02Å; L227-F298 HydrophobicContact CD1-CD2 3.75Å; L227-F298 HydrophobicContact CD1-CE1 4.37Å; L227-F298 HydrophobicContact CD1-CE2 4.13Å; L227-F298 HydrophobicContact CD1-CG 3.69Å; L227-F298 HydrophobicContact CD1-CZ 4.41Å; L231-F298 HydrophobicContact CD1-CZ 4.19Å; L231-F298 HydrophobicContact CD2-CZ 4.28Å; A261-F298 HydrophobicContact CB-CD1 4.06Å; A261-F298 HydrophobicContact CB-CE1 3.74Å; A261-F298 HydrophobicContact CB-CZ 4.47Å; M264-F298 HydrophobicContact CE-CD1 4.36Å; K265-F298 HydrophobicContact CB-CE1 4.32Å; K265-F298 HydrophobicContact CB-CZ 4.44Å; K265-F298 HydrophobicContact CD-CZ 4.01Å; Q294-F298 PolarHBondContact O-N 3.46Å; L295-F298 WeakPolarHBondContact O-CB 3.3Å; L295-F298 PolarHBondContact O-N 2.97Å; F298-K300 VanDerWaalsContact C-N 3.3Å; F298-K300 PolarHBondContact O-N 2.89Å; F298-N301 WeakPolarHBondContact O-CB 3.31Å; F298-N301 PolarHBondContact O-N 3.45Å; F298-N301 VanDerWaalsContact O-N 3.12Å; F298-I302 HydrophobicContact CD1-CD1 3.85Å; F298-I302 HydrophobicContact CD1-CG1 4.44Å; F298-I302 HydrophobicContact CE1-CD1 3.74Å; F298-I302 HydrophobicContact CE1-CG1 4.28Å; F298-I302 HydrophobicContact CZ-CD1 4.39Å; F298-I302 HydrophobicContact CZ-CG1 4.49Å; F298-I302 WeakPolarHBondContact O-CG1 3.43Å; F298-I302 PolarHBondContact O-N 2.91Å
299	E	96.9	Very high	83.7	Confident	28 Å²	28	61.5 Å²	61.5	13%	0.131	34%	0.339	C	S	.	.	H	α-helix	trans	-59.3	-39.3	178	-163.7	179.8	151.2	0	0	112.8	M264 S270 L271 L295 D297 K303	M264-E299 HydrophobicContact CE-CB 3.54Å; M264-E299 HydrophobicContact CE-CG 3.87Å; S270-E299 WeakPolarHBondContact CA-OE1 3.31Å; S270-E299 WeakPolarHBondContact CB-OE1 3.43Å; L271-E299 WeakPolarHBondContact CB-OE2 3.43Å; L271-E299 PolarHBondContact N-OE2 2.92Å; L295-E299 PolarHBondContact O-N 3.25Å; D297-E299 VanDerWaalsContact C-N 3.34Å; D297-E299 PolarHBondContact O-N 2.69Å; E299-K303 WeakPolarHBondContact O-CG 3.14Å; E299-K303 PolarHBondContact O-N 2.67Å; E299-K303 IonicContact OE1-NZ 3.89Å; E299-K303 PolarHBondContact OE1-NZ 2.91Å
300	K	94.3	Very high	81.2	Confident	71 Å²	71	60.8 Å²	60.8	31%	0.309	35%	0.348	S	S	.	.	H	α-helix	trans	-67.5	-40.6	176	-59.6	161.8	-163.3	154.9	0	110.9	L296 D297 F298 K303 S304 L602	L296-K300 WeakPolarHBondContact O-CD 3.42Å; L296-K300 WeakPolarHBondContact O-CE 3.4Å; L296-K300 WeakPolarHBondContact O-CG 3.35Å; D297-K300 PolarHBondContact O-N 2.98Å; D297-K300 IonicContact OD1-NZ 3.42Å; D297-K300 PolarHBondContact OD1-NZ 3.24Å; F298-K300 VanDerWaalsContact C-N 3.3Å; F298-K300 PolarHBondContact O-N 2.89Å; K300-K303 PolarHBondContact O-N 3.29Å; K300-S304 PolarHBondContact O-N 3.21Å; K300-L602 VanDerWaalsContact NZ-CD1 3.33Å
301	N	91.6	Very high	78.3	Confident	82 Å²	82	67.9 Å²	67.9	44%	0.439	38%	0.38	S	S	.	.	H	α-helix	trans	-65	-41.3	-179.4	-65.7	-6.7	0	0	0	111.5	D297 F298 S304 L305	D297-N301 PolarHBondContact O-N 3.39Å; D297-N301 PolarHBondContact O-OD1 3Å; F298-N301 WeakPolarHBondContact O-CB 3.31Å; F298-N301 PolarHBondContact O-N 3.45Å; F298-N301 VanDerWaalsContact O-N 3.12Å; N301-S304 PolarHBondContact O-N 3.44Å; N301-S304 PolarHBondContact O-OG 3.13Å; N301-L305 WeakPolarHBondContact O-CG 3.43Å; N301-L305 PolarHBondContact O-N 3.43Å
302	I	90.8	Very high	75.6	Confident	19 Å²	19	73 Å²	73	10%	0.097	41%	0.414	C	S	.	.	H	α-helix	trans	-55.6	-59.6	173.1	-62.7	164	0	0	0	109.6	M264 K265 F298 S304 L305	M264-I302 HydrophobicContact CB-CD1 4.05Å; K265-I302 HydrophobicContact CB-CD1 3.84Å; K265-I302 HydrophobicContact CB-CG1 4.28Å; K265-I302 HydrophobicContact CD-CG1 4.36Å; F298-I302 HydrophobicContact CD1-CD1 3.85Å; F298-I302 HydrophobicContact CD1-CG1 4.44Å; F298-I302 HydrophobicContact CE1-CD1 3.74Å; F298-I302 HydrophobicContact CE1-CG1 4.28Å; F298-I302 HydrophobicContact CZ-CD1 4.39Å; F298-I302 HydrophobicContact CZ-CG1 4.49Å; F298-I302 WeakPolarHBondContact O-CG1 3.43Å; F298-I302 PolarHBondContact O-N 2.91Å; I302-S304 PolarHBondContact O-N 3.49Å; I302-L305 WeakPolarHBondContact O-CB 3.35Å; I302-L305 PolarHBondContact O-N 3.45Å
303	K	80.2	Confident	73	Confident	119 Å²	119	79 Å²	79	52%	0.517	45%	0.445	S	S	.	.	H	α-helix	trans	-60.7	-17.5	-176.6	-64.4	174.8	-171.4	178	0	114.3	E299 K300	E299-K303 WeakPolarHBondContact O-CG 3.14Å; E299-K303 PolarHBondContact O-N 2.67Å; E299-K303 IonicContact OE1-NZ 3.89Å; E299-K303 PolarHBondContact OE1-NZ 2.91Å; K300-K303 PolarHBondContact O-N 3.29Å
304	S	73.1	Confident	70.5	Confident	75 Å²	75	83 Å²	83	52%	0.524	47%	0.466	S	S	.	.	H	α-helix	trans	-81.8	-22	174.5	74.7	0	0	0	0	114.2	K300 N301 I302	K300-S304 PolarHBondContact O-N 3.21Å; N301-S304 PolarHBondContact O-N 3.44Å; N301-S304 PolarHBondContact O-OG 3.13Å; I302-S304 PolarHBondContact O-N 3.49Å
305	L	64.6	Low	67.9	Low	106 Å²	106	88.3 Å²	88.3	56%	0.555	50%	0.502	S	S	*	.	H	α-helix	trans	-81.9	-46.6	-179.8	-66.9	166.1	0	0	0	111	N301 I302 G307 S308	N301-L305 WeakPolarHBondContact O-CG 3.43Å; N301-L305 PolarHBondContact O-N 3.43Å; I302-L305 WeakPolarHBondContact O-CB 3.35Å; I302-L305 PolarHBondContact O-N 3.45Å; L305-G307 PolarHBondContact O-N 2.75Å; L305-G307 VanDerWaalsContact O-N 3.09Å; L305-S308 WeakPolarHBondContact O-CB 3.24Å; L305-S308 PolarHBondContact O-N 3.11Å; L305-S308 PolarHBondContact O-OG 3.12Å
306	D	59.1	Low	65.1	Low	123 Å²	123	92.2 Å²	92.2	66%	0.658	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.3	-179.5	-52.5	-57.1	0	0	0	113.2
307	G	52.6	Low	62.2	Low	59 Å²	59	95.2 Å²	95.2	61%	0.608	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	0.8	175	0	0	0	0	0	115.6	L305	L305-G307 PolarHBondContact O-N 2.75Å; L305-G307 VanDerWaalsContact O-N 3.09Å
308	S	43.8	Very low	59.2	Low	89 Å²	89	96 Å²	96	62%	0.622	60%	0.595	S	S	*	*	S	Bend	trans	-103.3	-11.2	-168.7	66.4	0	0	0	0	116.4	L305 S310	L305-S308 WeakPolarHBondContact O-CB 3.24Å; L305-S308 PolarHBondContact O-N 3.11Å; L305-S308 PolarHBondContact O-OG 3.12Å; S308-S310 PolarHBondContact O-N 3.35Å
309	E	44.3	Very low	56.2	Low	193 Å²	193	103.6 Å²	103.6	90%	0.902	64%	0.635	S	S	*	*	S	Bend	trans	-96.7	58.7	175.7	-66.6	-159.9	116.4	0	0	113.1
310	S	38.3	Very low	53.3	Low	96 Å²	96	110.4 Å²	110.4	67%	0.671	67%	0.671	S	S	*	*			trans	-151	74.2	167.6	53.2	0	0	0	0	114.1	S308 P312	S308-S310 PolarHBondContact O-N 3.35Å; S310-P312 WeakPolarHBondContact O-CD 3.47Å
311	Q	33.3	Very low	50.4	Low	187 Å²	187	112.2 Å²	112.2	87%	0.874	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-76.3	121.3	155.6	-83.8	-77.7	-83.5	0	0	108.7
312	P	42.2	Very low	47.5	Very low	109 Å²	109	111.7 Å²	111.7	71%	0.708	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-80.5	129.3	169.4	31.6	-31.5	0	0	0	110.3	S310	S310-P312 WeakPolarHBondContact O-CD 3.47Å
313	D	41.8	Very low	44.7	Very low	153 Å²	153	119.9 Å²	119.9	82%	0.818	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-58.3	142.7	173.3	-74.2	-58.9	0	0	0	111.9
314	P	44.8	Very low	42.4	Very low	114 Å²	114	123.7 Å²	123.7	74%	0.74	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-67.4	127.4	175.4	27.7	-33.4	0	0	0	110.5	G316	P314-G316 PolarHBondContact O-N 3.19Å
315	P	44.1	Very low	40.3	Very low	129 Å²	129	123.7 Å²	123.7	84%	0.838	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-71	116.9	-174.9	27.4	-34.4	0	0	0	111.7	A317	P315-A317 PolarHBondContact O-N 3.29Å
316	G	39.9	Very low	38.7	Very low	83 Å²	83	123.3 Å²	123.3	86%	0.856	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-69.2	120.6	175	0	0	0	0	0	112.6	P314	P314-G316 PolarHBondContact O-N 3.19Å
317	A	36.2	Very low	37.2	Very low	103 Å²	103	125.9 Å²	125.9	85%	0.851	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-98.4	131.4	165.1	0	0	0	0	0	109.6	P315	P315-A317 PolarHBondContact O-N 3.29Å
318	G	34.4	Very low	37.5	Very low	74 Å²	74	127.7 Å²	127.7	76%	0.763	81%	0.805	S	S	*	*			trans	-107.7	-150.1	-172.9	0	0	0	0	0	115.2
319	L	33.2	Very low	37.6	Very low	164 Å²	164	128.8 Å²	128.8	86%	0.859	81%	0.81	S	S	*	*			trans	82.9	86.2	174.5	-65.3	159.6	0	0	0	118.4
320	L	36.4	Very low	37	Very low	170 Å²	170	124 Å²	124	89%	0.89	80%	0.797	S	S	*	*				35.4	105.5	121.3	-60.6	174.1	0	0	0	119.6
321	A	33.9	Very low	36.8	Very low	109 Å²	109	128.1 Å²	128.1	90%	0.901	81%	0.806	S	S	*	*			trans	-146.9	166.3	142.5	0	0	0	0	0	107.7
322	G	30.4	Very low	37	Very low	72 Å²	72	124.7 Å²	124.7	74%	0.742	80%	0.8	S	S	*	*			trans	-175	-163.9	-177.2	0	0	0	0	0	119.4
323	Q	32.1	Very low	36.3	Very low	191 Å²	191	128.1 Å²	128.1	89%	0.893	81%	0.807	S	S	*	*			trans	84.6	153	-176	-55.5	-169.4	14.3	0	0	117.7
324	Q	32.6	Very low	36.8	Very low	199 Å²	199	126.1 Å²	126.1	93%	0.93	80%	0.802	S	S	*	*			trans	74.5	127.4	179.2	-48.1	178	22.5	0	0	115.4
325	G	29.1	Very low	37	Very low	75 Å²	75	126 Å²	126	77%	0.773	80%	0.801	S	S	*	*			cis	172.2	136.8	-13.3	0	0	0	0	0	114.6
326	A	30.1	Very low	37.3	Very low	98 Å²	98	124.9 Å²	124.9	81%	0.81	79%	0.794	S	S	*	*			trans	54.4	107	161.4	0	0	0	0	0	122.2
327	E	27.3	Very low	36.6	Very low	177 Å²	177	126.6 Å²	126.6	83%	0.827	79%	0.791	S	S	*	*				24.7	157.7	109.5	-77.8	-89.9	93.5	0	0	121.3
328	P	58.4	Low	36.3	Very low	97 Å²	97	129 Å²	129	63%	0.63	79%	0.79	S	S	*	*			cis	-135.5	-153.9	-19.3	43.1	-24.5	0	0	0	110.8
329	P	46.7	Very low	37.1	Very low	112 Å²	112	131.1 Å²	131.1	73%	0.727	79%	0.79	S	S	*	*			cis	-130.6	-158.9	-9.6	47.1	-29.7	0	0	0	111.7
330	S	31.1	Very low	36.9	Very low	91 Å²	91	127.7 Å²	127.7	64%	0.636	79%	0.786	S	S	*	*			cis	-166.1	141.6	-12.6	28.9	0	0	0	0	109.5
331	E	34.3	Very low	36.6	Very low	183 Å²	183	126 Å²	126	86%	0.855	78%	0.778	S	S	*	*			trans	53.9	164.4	140.5	-63.4	-166.1	132.6	0	0	122.7
332	P	37.3	Very low	36.5	Very low	116 Å²	116	128.5 Å²	128.5	75%	0.753	77%	0.77	S	S	*	*			cis	-132.3	-173	-42.3	37.3	-20.9	0	0	0	113.4
333	Q	28.3	Very low	36.5	Very low	181 Å²	181	132.4 Å²	132.4	85%	0.846	77%	0.773	S	S	*	*			trans	-120.8	-177.2	167.7	-60.6	-171.5	-63.9	0	0	110.2
334	P	53	Low	36.5	Very low	111 Å²	111	127.5 Å²	127.5	72%	0.721	77%	0.766	S	S	*	*				-119.4	-140.1	-68.9	41.5	-25.3	0	0	0	108.2
335	P	48.5	Very low	36.4	Very low	111 Å²	111	127.5 Å²	127.5	72%	0.721	77%	0.766	S	S	*	*			cis	-120	-138.1	-34.9	41.2	-22.4	0	0	0	109.2
336	P	50.2	Low	36.4	Very low	106 Å²	106	127.9 Å²	127.9	69%	0.688	76%	0.762	S	S	*	*			cis	-120.3	-168.1	-48.1	32.8	-13.4	0	0	0	113.5
337	C	25.6	Very low	36.4	Very low	119 Å²	119	131.9 Å²	131.9	80%	0.804	77%	0.768	S	S	*	*			trans	93.6	144.4	155.9	-62.1	0	0	0	0	122
338	D	29.1	Very low	36.6	Very low	154 Å²	154	127.3 Å²	127.3	82%	0.824	77%	0.769	S	S	*	*			trans	-82.5	-177.3	169.3	-55.7	-83.4	0	0	0	112.9
339	P	51.7	Low	35.2	Very low	117 Å²	117	126.8 Å²	126.8	76%	0.76	78%	0.781	S	S	*	*			cis	-133.8	178.9	-30.3	26.4	-4.6	0	0	0	115
340	A	29	Very low	34.4	Very low	93 Å²	93	125.7 Å²	125.7	77%	0.769	78%	0.781	S	S	*	*			trans	76.8	135.7	144.3	0	0	0	0	0	123.2
341	D	30.1	Very low	34.4	Very low	135 Å²	135	129.5 Å²	129.5	72%	0.722	79%	0.789	S	S	*	*			trans	-139.3	133	145.8	-93.2	-39.8	0	0	0	106.3
342	Q	32.4	Very low	34.2	Very low	160 Å²	160	128.5 Å²	128.5	75%	0.748	79%	0.789	S	S	*	*				78.3	134.4	58	-70.5	-166.5	97.3	0	0	113.9
343	L	29.8	Very low	33.8	Very low	154 Å²	154	128.2 Å²	128.2	81%	0.806	80%	0.796	S	S	*	*			cis	-163.3	-176.1	-14.9	-159	110.2	0	0	0	109.7
344	A	31.6	Very low	33.9	Very low	88 Å²	88	127.9 Å²	127.9	73%	0.727	80%	0.8	S	S	*	*			trans	79	147.4	176	0	0	0	0	0	116.3
345	E	31.6	Very low	32.7	Very low	200 Å²	200	125.5 Å²	125.5	94%	0.935	80%	0.796	S	S	*	*			cis	-133	-178.7	2.8	-147.1	171.3	165.9	0	0	111.8
346	A	27.8	Very low	31.9	Very low	83 Å²	83	125 Å²	125	69%	0.686	80%	0.795	S	S	*	*			trans	-122.6	179.9	-161.3	0	0	0	0	0	115.1
347	L	31.2	Very low	31.1	Very low	181 Å²	181	127.7 Å²	127.7	95%	0.948	80%	0.798	S	S	*	*			trans	75.4	140.8	-176.7	-45.5	172.4	0	0	0	113.9
348	G	31.8	Very low	31.5	Very low	81 Å²	81	129.2 Å²	129.2	84%	0.835	80%	0.798	S	S	*	*			cis	156.4	148.6	-7.2	0	0	0	0	0	112
349	G	28.4	Very low	31.6	Very low	86 Å²	86	128.3 Å²	128.3	89%	0.887	80%	0.804	S	S	*	*			trans	113.9	164.6	173.9	0	0	0	0	0	115.1
350	A	29.2	Very low	30.8	Very low	89 Å²	89	126.7 Å²	126.7	74%	0.736	80%	0.801	S	S	*	*			trans	-142.4	158.1	-172.9	0	0	0	0	0	112.8
351	Q	30.6	Very low	31	Very low	172 Å²	172	133.4 Å²	133.4	80%	0.804	81%	0.806	S	S	*	*			trans	68.1	131	161.1	-70.9	177.3	-94.2	0	0	120.4
352	L	30.5	Very low	31	Very low	162 Å²	162	135.4 Å²	135.4	85%	0.848	82%	0.816	S	S	*	*			trans	62.6	104.2	141.9	-61.9	169.3	0	0	0	119.8
353	A	30.1	Very low	31.1	Very low	109 Å²	109	136.7 Å²	136.7	90%	0.901	82%	0.819	S	S	*	*			trans	-146.2	160.9	142.3	0	0	0	0	0	109.7
354	D	30	Very low	31.3	Very low	174 Å²	174	140.3 Å²	140.3	93%	0.93	82%	0.822	S	S	*	*			trans	-104	160.5	-172.2	-176.5	26.9	0	0	0	112.3
355	G	28.5	Very low	31.4	Very low	61 Å²	61	141.2 Å²	141.2	63%	0.629	82%	0.823	S	S	*	*			trans	155.3	130.9	172	0	0	0	0	0	116.9
356	S	30	Very low	31.3	Very low	101 Å²	101	141.7 Å²	141.7	71%	0.706	82%	0.822	S	S	*	*			trans	-4.4	149.4	152.3	-72	0	0	0	0	120.9
357	E	33.2	Very low	31.6	Very low	163 Å²	163	142.8 Å²	142.8	76%	0.762	83%	0.825	S	S	*	*			cis	-162.5	171.7	-1.9	-118.3	158.5	116.7	0	0	110.2
358	D	34.5	Very low	31.6	Very low	150 Å²	150	142 Å²	142	80%	0.802	82%	0.821	S	S	*	*			trans	42.4	96.3	161.5	-79.4	-10.8	0	0	0	121.6
359	S	32.7	Very low	31.6	Very low	135 Å²	135	145.8 Å²	145.8	94%	0.944	82%	0.822	S	S	*	*			trans	-151.6	81.7	131.9	-155.2	0	0	0	0	112.1
360	A	33.1	Very low	32.2	Very low	84 Å²	84	149.5 Å²	149.5	69%	0.694	82%	0.82	S	S	*	*			trans	-102.7	125	-174.7	0	0	0	0	0	113.5
361	R	34.3	Very low	32.3	Very low	233 Å²	233	155 Å²	155	88%	0.879	83%	0.827	S	S	*	*			trans	67	112.6	156.8	-56.6	172.9	177.3	-156.3	-2.2	118.6
362	L	29.3	Very low	32.4	Very low	177 Å²	177	151.3 Å²	151.3	93%	0.927	83%	0.826	S	S	*	*				-146.9	92.3	118.7	-145.2	78	0	0	0	111.9
363	K	34.3	Very low	32.4	Very low	188 Å²	188	153.7 Å²	153.7	82%	0.817	83%	0.83	S	S	*	*			trans	-143.3	112	170.8	-89.8	-176.6	-179.9	167.7	0	112.9
364	R	34.2	Very low	32.4	Very low	230 Å²	230	151.7 Å²	151.7	87%	0.868	82%	0.82	S	S	*	*			trans	73.6	162.7	147.4	-66.7	-175.9	174.2	152.3	-1.5	120.8
365	S	34	Very low	32.6	Very low	107 Å²	107	152 Å²	152	75%	0.748	82%	0.816	S	S	*	*			trans	64.4	99.3	161.6	39.4	0	0	0	0	118.3
366	F	30.6	Very low	33.3	Very low	210 Å²	210	155.4 Å²	155.4	92%	0.921	83%	0.827	S	S	*	*			trans	-94.7	115.7	141.8	-79.4	-84.6	0	0	0	108.6
367	S	32.4	Very low	33.3	Very low	105 Å²	105	153.8 Å²	153.8	73%	0.734	83%	0.826	S	S	*	*			trans	-94.1	145	152.5	-66.4	0	0	0	0	107.8
368	L	32.9	Very low	33.2	Very low	166 Å²	166	151 Å²	151	87%	0.869	83%	0.831	S	S	*	*			trans	-105.9	101.4	173.4	-78.2	171	0	0	0	109.4
369	D	31.6	Very low	33.2	Very low	159 Å²	159	149.5 Å²	149.5	85%	0.85	83%	0.833	S	S	*	*			trans	-89.3	132.4	162.9	-91.7	-61	0	0	0	109.9
370	I	40.4	Very low	33.8	Very low	164 Å²	164	149.1 Å²	149.1	84%	0.841	83%	0.827	S	S	*	*			trans	-107.9	125.5	171.7	-60.8	174.2	0	0	0	107.3
371	K	30.4	Very low	33.8	Very low	205 Å²	205	149 Å²	149	89%	0.891	83%	0.826	S	S	*	*			trans	-143.5	137.6	168	-130.4	164.6	-172.9	169.9	0	112.1
372	A	32.6	Very low	33.6	Very low	95 Å²	95	146.8 Å²	146.8	79%	0.785	83%	0.825	S	S	*	*			trans	-77.7	160.7	176.3	0	0	0	0	0	111.3
373	F	31.3	Very low	33.5	Very low	211 Å²	211	150.2 Å²	150.2	93%	0.925	83%	0.826	S	S	*	*			trans	-109	137.5	164.9	-95.8	-96.8	0	0	0	109.9
374	G	30.5	Very low	33.5	Very low	68 Å²	68	145.3 Å²	145.3	70%	0.701	82%	0.82	S	S	*	*			trans	-102.3	176.1	168.6	0	0	0	0	0	111.7
375	E	34.9	Very low	33.1	Very low	181 Å²	181	144.5 Å²	144.5	85%	0.846	82%	0.823	S	S	*	*			trans	-69	167.2	175.6	-59.2	-168.1	142.1	0	0	113.1
376	P	42.1	Very low	32.9	Very low	131 Å²	131	142.4 Å²	142.4	85%	0.851	82%	0.819	S	S	*	*				-122.3	132.7	120.8	34.7	-31.2	0	0	0	111.9
377	G	31.1	Very low	34.3	Very low	67 Å²	67	137.4 Å²	137.4	69%	0.691	81%	0.807	S	S	*	*			trans	-91.9	156	-180	0	0	0	0	0	114.3
378	A	29.7	Very low	34.4	Very low	105 Å²	105	140.4 Å²	140.4	87%	0.868	81%	0.809	S	S	*	*			trans	-149.1	140.9	165.6	0	0	0	0	0	110.6
379	S	34.6	Very low	34.4	Very low	119 Å²	119	139 Å²	139	83%	0.832	81%	0.808	S	S	*	*			trans	-120.1	153.6	170.4	-67.1	0	0	0	0	109
380	P	46.6	Very low	34.3	Very low	127 Å²	127	134.7 Å²	134.7	83%	0.825	80%	0.8	S	S	*	*				-153.1	174.5	96.3	39.8	-22.3	0	0	0	117.2
381	A	31.8	Very low	34.9	Very low	82 Å²	82	133.3 Å²	133.3	68%	0.678	80%	0.802	S	S	*	*			trans	81.6	106.4	146.1	0	0	0	0	0	122.5
382	H	30.2	Very low	35	Very low	185 Å²	185	126.7 Å²	126.7	86%	0.856	79%	0.792	S	S	*	*			trans	45.3	115.4	131.1	-59	-77.8	0	0	0	122.3
383	R	28	Very low	35	Very low	250 Å²	250	129.2 Å²	129.2	94%	0.943	80%	0.798	S	S	*	*				-167.9	162.8	94.6	-113.7	177.5	173.7	153.9	-0.9	112.6
384	A	33.5	Very low	35.3	Very low	84 Å²	84	124.7 Å²	124.7	69%	0.694	79%	0.793	S	S	*	*			trans	-125.7	151.7	173.7	0	0	0	0	0	110.2
385	F	26.9	Very low	36.4	Very low	214 Å²	214	128 Å²	128	94%	0.939	80%	0.802	S	S	*	*			trans	-176.8	156.9	150.7	-100	-65.6	0	0	0	110.9
386	G	28.9	Very low	36.7	Very low	63 Å²	63	123.5 Å²	123.5	65%	0.649	80%	0.795	S	S	*	*			trans	-146.4	-156.9	161.9	0	0	0	0	0	107.7
387	P	60	Low	36.6	Very low	104 Å²	104	125.9 Å²	125.9	68%	0.675	80%	0.795	S	S	*	*			cis	-133.2	-145.3	-10.2	39.2	-18.5	0	0	0	112.3
388	H	33.7	Very low	36.6	Very low	169 Å²	169	133.2 Å²	133.2	78%	0.782	80%	0.802	S	S	*	*			trans	81.4	149.9	173.5	-52.3	-61.2	0	0	0	116.8
389	T	32.8	Very low	37	Very low	137 Å²	137	132 Å²	132	84%	0.84	79%	0.792	S	S	*	*			cis	-152.1	163.3	5.1	0.3	0	0	0	0	112
390	G	29.9	Very low	36.8	Very low	67 Å²	67	136.4 Å²	136.4	69%	0.691	80%	0.796	S	S	*	*			trans	-89.8	-152.3	165.4	0	0	0	0	0	112.9
391	P	53.3	Low	36.1	Very low	135 Å²	135	133.2 Å²	133.2	88%	0.877	79%	0.787	S	S	*	*			cis	-118.7	-166.5	3.6	44.4	-31.3	0	0	0	112.5
392	G	32.3	Very low	37.6	Very low	67 Å²	67	134.6 Å²	134.6	69%	0.691	79%	0.788	S	S	*	*			cis	120.4	99.5	-10.3	0	0	0	0	0	116.3
393	T	33	Very low	37.8	Very low	148 Å²	148	134.8 Å²	134.8	91%	0.908	79%	0.789	S	S	*	*			trans	-147.2	149.7	170.1	44.2	0	0	0	0	113.8
394	S	36.9	Very low	37.9	Very low	116 Å²	116	126.3 Å²	126.3	81%	0.811	78%	0.78	S	S	*	*			trans	-142.7	177.7	175.7	-49.9	0	0	0	0	110.7
395	P	53.7	Low	38	Very low	137 Å²	137	128.1 Å²	128.1	89%	0.89	79%	0.787	S	S	*	*			trans	-135.8	173	130.4	34.1	-20.2	0	0	0	114.1
396	A	42.6	Very low	39.3	Very low	86 Å²	86	124.1 Å²	124.1	71%	0.711	78%	0.783	S	S	*	*			trans	-148.5	-161.2	-160.6	0	0	0	0	0	115.9
397	H	39.4	Very low	39.6	Very low	182 Å²	182	124 Å²	124	84%	0.843	78%	0.781	S	S	*	*			trans	83.4	149	-173.8	-54.7	-56.9	0	0	0	115
398	R	30.6	Very low	38.3	Very low	220 Å²	220	126.4 Å²	126.4	83%	0.83	79%	0.789	S	S	*	*			cis	-143.7	153.1	-0.9	-114.6	159.5	-172.2	173.3	3	107
399	A	39.3	Very low	38.3	Very low	80 Å²	80	125.1 Å²	125.1	66%	0.661	79%	0.788	S	S	*	*			cis	87	104.6	20.7	0	0	0	0	0	117.1
400	F	29.9	Very low	38.3	Very low	212 Å²	212	125.1 Å²	125.1	93%	0.93	78%	0.776	S	S	*	*			trans	-170.3	158.3	146.6	-106.8	-68.7	0	0	0	112.7
401	G	31.4	Very low	38.5	Very low	60 Å²	60	132.3 Å²	132.3	62%	0.619	78%	0.784	S	S	*	*			trans	-151.4	-152.6	169.6	0	0	0	0	0	108.4
402	P	62.6	Low	37.6	Very low	110 Å²	110	134.3 Å²	134.3	71%	0.714	78%	0.779	S	S	*	*			cis	-142.9	-147.5	-1.6	41.3	-18.1	0	0	0	114.1
403	H	35.5	Very low	37.4	Very low	189 Å²	189	135.6 Å²	135.6	88%	0.875	78%	0.783	S	S	*	*			trans	80.2	144.5	173.7	-57.4	-73	0	0	0	118.3
404	G	28.8	Very low	37.5	Very low	72 Å²	72	133 Å²	133	74%	0.742	78%	0.776	S	S	*	*			cis	-179.3	167.1	-5.7	0	0	0	0	0	114
405	S	36.5	Very low	38.1	Very low	122 Å²	122	132.8 Å²	132.8	85%	0.853	77%	0.772	S	S	*	*			trans	-124.1	161.1	178.6	-49.7	0	0	0	0	111.6
406	P	54.7	Low	37.1	Very low	130 Å²	130	131.5 Å²	131.5	84%	0.844	77%	0.767	S	S	*	*				-145.2	177	107.4	38.4	-22.9	0	0	0	113
407	G	33.8	Very low	36.6	Very low	60 Å²	60	133.6 Å²	133.6	62%	0.619	78%	0.776	S	S	*	*			cis	173.3	156.9	-7.9	0	0	0	0	0	112.8
408	D	33.9	Very low	36.3	Very low	156 Å²	156	134.8 Å²	134.8	83%	0.834	78%	0.779	S	S	*	*			trans	63.1	163.6	157.6	-41.5	-37.4	0	0	0	115.8
409	D	32.9	Very low	36.2	Very low	142 Å²	142	128.9 Å²	128.9	76%	0.759	78%	0.777	S	S	*	*			cis	-157.7	162.6	-2.1	-144.7	42	0	0	0	105.8
410	F	33	Very low	35.7	Very low	137 Å²	137	130.1 Å²	130.1	60%	0.601	78%	0.779	S	S	*	*			cis	169.4	128.8	-23.1	173.7	-84.5	0	0	0	106.8
411	Y	34.9	Very low	35.9	Very low	218 Å²	218	127.9 Å²	127.9	86%	0.855	77%	0.772	S	S	*	*			trans	-168.9	160.3	139.2	-121.9	-87.7	0	0	0	113.1
412	K	33.2	Very low	35.6	Very low	177 Å²	177	133.9 Å²	133.9	77%	0.77	78%	0.781	S	S	*	*			trans	-104.2	170.1	-172.8	-110.7	171.5	-178.8	171.7	0	110.9
413	A	28.9	Very low	34.1	Very low	94 Å²	94	133.5 Å²	133.5	78%	0.777	78%	0.781	S	S	*	*			cis	-160.7	-172.6	6.6	0	0	0	0	0	111.3
414	A	33.9	Very low	34.7	Very low	92 Å²	92	130 Å²	130	76%	0.76	78%	0.775	S	S	*	*			trans	-116.1	-178.2	166.2	0	0	0	0	0	109.7
415	P	51.1	Low	34.6	Very low	113 Å²	113	133.1 Å²	133.1	73%	0.734	78%	0.78	S	S	*	*			cis	-141.3	176.6	6.3	42.9	-23.5	0	0	0	118.1
416	S	31.5	Very low	34.1	Very low	110 Å²	110	135.5 Å²	135.5	77%	0.769	78%	0.777	S	S	*	*			trans	48.4	130.1	146.6	66.6	0	0	0	0	124.1
417	S	31.9	Very low	32.9	Very low	129 Å²	129	137.2 Å²	137.2	90%	0.902	77%	0.774	S	S	*	*				-171	166.6	124.3	54.3	0	0	0	0	113.6
418	K	33.6	Very low	32.6	Very low	208 Å²	208	139.9 Å²	139.9	90%	0.904	78%	0.778	S	S	*	*			trans	-106.9	161.4	-158.2	-54	166.1	177.3	174.3	0	115.9
419	A	29.6	Very low	32.3	Very low	95 Å²	95	137 Å²	137	79%	0.785	77%	0.77	S	S	*	*			trans	-172.4	145.3	140.4	0	0	0	0	0	107.8
420	C	27.4	Very low	32.1	Very low	107 Å²	107	137.6 Å²	137.6	72%	0.723	77%	0.768	S	S	*	*			cis	-134.8	-175.7	-16	-84.4	0	0	0	0	106.6
421	Q	35.1	Very low	32	Very low	164 Å²	164	138.6 Å²	138.6	77%	0.766	78%	0.775	S	S	*	*			cis	72.7	138	25.5	-56.1	177.4	-93.3	0	0	113.6
422	F	24.8	Very low	31.8	Very low	187 Å²	187	133.6 Å²	133.6	82%	0.82	77%	0.772	S	S	*	*			cis	-121	169.1	21.3	-102.1	-108.1	0	0	0	116.5
423	S	31.3	Very low	31.6	Very low	102 Å²	102	131.6 Å²	131.6	71%	0.713	77%	0.774	S	S	*	*			trans	-133.3	-169.9	159.9	-43.2	0	0	0	0	106.2
424	P	47.7	Very low	32.3	Very low	115 Å²	115	132.9 Å²	132.9	75%	0.747	78%	0.775	S	S	*	*			cis	-153.8	-158.1	25	43.7	-19	0	0	0	116.9
425	V	26.7	Very low	32.1	Very low	138 Å²	138	137 Å²	137	84%	0.836	78%	0.778	S	S	*	*			trans	82	172.8	156.2	171.9	0	0	0	0	117.6
426	E	27.2	Very low	31.9	Very low	172 Å²	172	137.3 Å²	137.3	80%	0.804	78%	0.781	S	S	*	*				-153.5	176.6	-124.4	-158.6	172.1	177	0	0	112.8
427	E	28	Very low	32.2	Very low	165 Å²	165	137.1 Å²	137.1	77%	0.771	78%	0.779	S	S	*	*			trans	80.3	120	158.4	-69.1	-151.6	109.4	0	0	124.4
428	V	27.3	Very low	32.9	Very low	116 Å²	116	137 Å²	137	70%	0.703	78%	0.775	S	S	*	*				91.6	139.9	123.1	170.2	0	0	0	0	123.9
429	S	28.3	Very low	33.1	Very low	97 Å²	97	134.2 Å²	134.2	68%	0.678	77%	0.77	S	S	*	*			trans	80.3	100.6	158.7	-80	0	0	0	0	124.1
430	E	29.8	Very low	33.6	Very low	153 Å²	153	138.3 Å²	138.3	72%	0.715	77%	0.773	S	S	*	*				55.9	127.3	111.7	-68.1	-154.7	98.9	0	0	125.3
431	Q	29.8	Very low	33.9	Very low	159 Å²	159	141.6 Å²	141.6	74%	0.743	78%	0.778	S	S	*	*			trans	81.8	139.4	136.2	-70.8	-177.9	35	0	0	123.3
432	S	29.7	Very low	33.8	Very low	112 Å²	112	141.8 Å²	141.8	78%	0.783	78%	0.779	S	S	*	*			trans	92.3	126.3	152.9	-57.5	0	0	0	0	121.7
433	T	30.2	Very low	34.4	Very low	135 Å²	135	136.2 Å²	136.2	83%	0.828	77%	0.767	S	S	*	*			trans	-72.1	172.4	155.2	29.6	0	0	0	0	111.3
434	P	44.2	Very low	34.3	Very low	121 Å²	121	137.3 Å²	137.3	79%	0.786	78%	0.775	S	S	*	*			cis	-141	-149.8	27.3	43.9	-22	0	0	0	116.2
435	E	28.2	Very low	33.5	Very low	179 Å²	179	143.4 Å²	143.4	84%	0.836	78%	0.783	S	S	*	*			trans	-68.6	-171.3	177.3	-37.2	175.6	95.5	0	0	113.6
436	P	47.3	Very low	35.2	Very low	120 Å²	120	142.1 Å²	142.1	78%	0.779	78%	0.777	S	S	*	*			cis	-137.5	-152.1	-3.1	39.2	-16.2	0	0	0	115
437	S	37.3	Very low	35.4	Very low	105 Å²	105	140.3 Å²	140.3	73%	0.734	77%	0.773	S	S	*	*			trans	-64.1	172.3	-176	-40	0	0	0	0	118.5
438	P	48.5	Very low	35.6	Very low	126 Å²	126	142.8 Å²	142.8	82%	0.818	78%	0.775	S	S	*	*			trans	-117.5	168.3	152.8	38.5	-28.2	0	0	0	114.8
439	D	36.9	Very low	35.9	Very low	150 Å²	150	141.4 Å²	141.4	80%	0.802	78%	0.777	S	S	*	*			trans	-121.9	-170.8	-165.4	-74.6	-63.4	0	0	0	115.3
440	Q	39.3	Very low	36.2	Very low	182 Å²	182	142.7 Å²	142.7	85%	0.85	79%	0.785	S	S	*	*			trans	92	158.1	156.3	-49.5	-173.3	24.2	0	0	117.4
441	E	34.7	Very low	36.2	Very low	176 Å²	176	138.8 Å²	138.8	82%	0.822	79%	0.787	S	S	*	*			cis	-119.8	-175.1	2.8	-54.4	171.8	104.1	0	0	110.2
442	E	33	Very low	37.6	Very low	168 Å²	168	136.6 Å²	136.6	79%	0.785	79%	0.786	S	S	*	*			cis	-154.6	-168.7	-2.7	-139.5	-71.3	79.6	0	0	107.7
443	A	36.3	Very low	37.8	Very low	69 Å²	69	137.3 Å²	137.3	57%	0.57	78%	0.781	S	S	*	*			trans	-127.4	169.4	-166.2	0	0	0	0	0	117.1
444	S	30.4	Very low	38	Very low	126 Å²	126	139.3 Å²	139.3	88%	0.881	77%	0.774	S	S	*	*			trans	-171.3	176	144.9	31.2	0	0	0	0	111.9
445	R	31.3	Very low	37.5	Very low	242 Å²	242	140.9 Å²	140.9	91%	0.913	77%	0.77	S	S	*	*			trans	-129.5	-171.3	-157.6	-62.6	-179.8	178.1	176.8	-0.8	112.1
446	P	62.1	Low	37.6	Very low	111 Å²	111	136.9 Å²	136.9	72%	0.721	77%	0.768	S	S	*	*				-128.2	-176.7	-60.6	38.7	-23.4	0	0	0	112.2
447	D	31.8	Very low	37.1	Very low	134 Å²	134	136.7 Å²	136.7	72%	0.717	77%	0.769	S	S	*	*				176.8	158	105.1	-136.6	-19	0	0	0	116.1
448	R	31.3	Very low	38.1	Very low	217 Å²	217	137.8 Å²	137.8	82%	0.819	77%	0.774	S	S	*	*			trans	22.2	112.4	156.1	-85.2	164.5	161.9	177.6	-5.1	125.2
449	A	33.5	Very low	37.3	Very low	88 Å²	88	135 Å²	135	73%	0.727	77%	0.768	S	S	*	*				82.3	149.4	104.9	0	0	0	0	0	124.6
450	S	34.9	Very low	37.3	Very low	123 Å²	123	133.8 Å²	133.8	86%	0.86	77%	0.771	S	S	*	*			trans	67.1	120.5	161.3	42.9	0	0	0	0	121.5
451	G	29.8	Very low	37.1	Very low	72 Å²	72	131.1 Å²	131.1	74%	0.742	77%	0.771	S	S	*	*			trans	-107.8	-148.1	148.2	0	0	0	0	0	109.9
452	P	59.6	Low	38	Very low	112 Å²	112	129 Å²	129	73%	0.727	77%	0.773	S	S	*	*			cis	-135.3	-154.7	2.5	42.6	-23.1	0	0	0	113.6
453	D	33.7	Very low	38.2	Very low	128 Å²	128	125.2 Å²	125.2	68%	0.684	77%	0.77	S	S	*	*			trans	70.2	150.1	162	-70	-11.5	0	0	0	118.4
454	R	34.4	Very low	39.2	Very low	177 Å²	177	127.5 Å²	127.5	67%	0.668	78%	0.779	S	S	*	*			cis	-166.2	157.4	-8.4	-115.4	165	178.8	-102.9	4.5	110.3
455	E	32.5	Very low	39.4	Very low	154 Å²	154	128.5 Å²	128.5	72%	0.72	78%	0.78	S	S	*	*			trans	47.4	151.9	145.6	-70	160.6	137	0	0	121.1
456	A	31.8	Very low	39.4	Very low	95 Å²	95	120.8 Å²	120.8	79%	0.785	78%	0.776	S	S	*	*			cis	-162.8	175.1	-12.4	0	0	0	0	0	109.9
457	S	35.3	Very low	38.3	Very low	115 Å²	115	124.6 Å²	124.6	80%	0.804	78%	0.784	S	S	*	*			trans	-97.4	-173.8	174.1	-30.4	0	0	0	0	111.6
458	P	59	Low	39.8	Very low	129 Å²	129	124 Å²	124	84%	0.838	79%	0.788	S	S	*	*			cis	-134.3	-176	-22.5	40.4	-23.6	0	0	0	114.2
459	G	31.3	Very low	39.9	Very low	67 Å²	67	116.6 Å²	116.6	69%	0.691	78%	0.779	S	S	*	*			trans	119.3	131.3	137.6	0	0	0	0	0	122.4
460	S	37.3	Very low	40	Very low	125 Å²	125	118.5 Å²	118.5	87%	0.874	79%	0.787	S	S	*	*			trans	53	137.9	143.6	54.4	0	0	0	0	124.5
461	C	36.1	Very low	40.1	Very low	125 Å²	125	118.1 Å²	118.1	85%	0.845	78%	0.784	S	S	*	*			trans	-82.7	159.9	168	-48.6	0	0	0	0	113.4
462	P	52.3	Low	41.4	Very low	132 Å²	132	121 Å²	121	86%	0.857	79%	0.79	S	S	*	*				-150	-173.4	105.5	38.4	-20.4	0	0	0	115.9
463	A	38.3	Very low	40.3	Very low	89 Å²	89	120.1 Å²	120.1	74%	0.736	79%	0.792	S	S	*	*			trans	-110.1	169.8	177.3	0	0	0	0	0	113
464	P	56.3	Low	41.4	Very low	116 Å²	116	120 Å²	120	75%	0.753	80%	0.799	S	S	*	*				-163.1	-179.2	104.5	40.9	-19.5	0	0	0	119.9
465	T	35.4	Very low	41.5	Very low	148 Å²	148	121.7 Å²	121.7	91%	0.908	81%	0.81	S	S	*	*			trans	77.5	150.8	166.2	72	0	0	0	0	118.8
466	G	31.7	Very low	41.9	Very low	80 Å²	80	118.7 Å²	118.7	83%	0.825	81%	0.812	S	S	*	*			cis	-162.5	-176.1	3.2	0	0	0	0	0	114.5
467	Q	39	Very low	43	Very low	190 Å²	190	120.4 Å²	120.4	89%	0.888	82%	0.815	S	S	*	*			trans	-113.5	-171	-166.7	-117.6	-162.4	36.7	0	0	114.7
468	P	62	Low	43.1	Very low	122 Å²	122	119.6 Å²	119.6	79%	0.792	82%	0.816	S	S	*	*			cis	-146.4	-179.3	18.6	44.8	-24.4	0	0	0	120.1
469	G	34.1	Very low	41.8	Very low	62 Å²	62	116.9 Å²	116.9	64%	0.639	81%	0.811	S	S	*	*			trans	134.7	116.7	137.8	0	0	0	0	0	124.9
470	S	34.6	Very low	42.9	Very low	127 Å²	127	119 Å²	119	89%	0.888	81%	0.812	S	S	*	*			trans	86.4	165.3	149.4	78.3	0	0	0	0	123.8
471	S	37.9	Very low	42.9	Very low	115 Å²	115	121.4 Å²	121.4	80%	0.804	81%	0.81	S	S	*	*			trans	-154.3	179.4	-166.1	-38.4	0	0	0	0	111.1
472	P	55.9	Low	42.5	Very low	134 Å²	134	122.5 Å²	122.5	87%	0.87	80%	0.802	S	S	*	*			cis	-145.8	-155.2	38.3	42.7	-18.5	0	0	0	117
473	A	37.8	Very low	41.5	Very low	92 Å²	92	122 Å²	122	76%	0.76	79%	0.792	S	S	*	*			trans	-126.1	171.8	-164.9	0	0	0	0	0	116.9
474	P	56.2	Low	41.1	Very low	127 Å²	127	125.3 Å²	125.3	83%	0.825	79%	0.792	S	S	*	*				-149.5	178.2	125.5	36.8	-20.4	0	0	0	113.9
475	K	37.6	Very low	39.8	Very low	211 Å²	211	129.8 Å²	129.8	92%	0.917	79%	0.794	S	S	*	*			cis	-174.7	163.7	-39.1	-124.5	-174.7	-178.2	-177.8	0	107.7
476	A	40.4	Very low	39.5	Very low	91 Å²	91	128.4 Å²	128.4	75%	0.752	79%	0.79	S	S	*	*			trans	-82	179.9	-170.8	0	0	0	0	0	117
477	P	54.9	Low	39.3	Very low	131 Å²	131	128.2 Å²	128.2	85%	0.851	79%	0.788	S	S	*	*				-145.2	-178.1	100.5	40.7	-26.6	0	0	0	114.1
478	A	36.8	Very low	38.7	Very low	99 Å²	99	124.2 Å²	124.2	82%	0.818	78%	0.781	S	S	*	*			cis	-165.1	159.6	-38.5	0	0	0	0	0	109.5
479	G	32.5	Very low	37.1	Very low	71 Å²	71	125.3 Å²	125.3	73%	0.732	78%	0.778	S	S	*	*			trans	-88.2	-168.6	-179.1	0	0	0	0	0	115.3
480	P	54.2	Low	37	Very low	111 Å²	111	130.5 Å²	130.5	72%	0.721	79%	0.785	S	S	*	*				-152.8	143.2	80.1	38.7	-19.8	0	0	0	119.5
481	Q	35.9	Very low	37	Very low	176 Å²	176	133.8 Å²	133.8	82%	0.822	79%	0.786	S	S	*	*				60.7	159.8	129.4	-54	177.9	10.7	0	0	120.1
482	H	29.5	Very low	36.5	Very low	149 Å²	149	133.3 Å²	133.3	69%	0.69	78%	0.783	S	S	*	*			cis	-156.7	149	24	-165.6	-113.9	0	0	0	115
483	L	30.2	Very low	35.3	Very low	122 Å²	122	132.6 Å²	132.6	64%	0.639	78%	0.782	S	S	*	*			trans	12.5	131.7	165.2	-57.9	-174.6	0	0	0	126.7
484	Q	29.9	Very low	35	Very low	157 Å²	157	133.1 Å²	133.1	73%	0.734	78%	0.776	S	S	*	*				75.1	113.1	124.2	-71.3	-168.8	21.2	0	0	126.1
485	R	28.7	Very low	33.7	Very low	211 Å²	211	133.1 Å²	133.1	80%	0.796	78%	0.778	S	S	*	*				82.9	105.6	108.9	-161.7	177.2	-168.4	179	4.4	122.1
486	S	28.9	Very low	33.2	Very low	118 Å²	118	131.7 Å²	131.7	83%	0.825	77%	0.772	S	S	*	*			trans	65.5	123.7	142.3	-58.6	0	0	0	0	121.2
487	G	28	Very low	32.7	Very low	77 Å²	77	135.6 Å²	135.6	79%	0.794	78%	0.78	S	S	*	*			trans	170.8	99.5	158.4	0	0	0	0	0	117.5
488	S	27	Very low	31.6	Very low	106 Å²	106	136.8 Å²	136.8	74%	0.741	78%	0.778	S	S	*	*			trans	56.6	134.6	145.4	-132	0	0	0	0	124.6
489	M	29	Very low	31	Very low	145 Å²	145	135.2 Å²	135.2	71%	0.714	77%	0.772	S	S	*	*			trans	67.6	132	137.9	-77.6	173	95.2	0	0	124.6
490	E	31.9	Very low	31	Very low	170 Å²	170	140.4 Å²	140.4	79%	0.794	78%	0.782	S	S	*	*			trans	81.4	155.4	138.6	-73.9	-179.2	162.1	0	0	122.4
491	E	34.4	Very low	29.7	Very low	196 Å²	196	140.3 Å²	140.3	92%	0.916	78%	0.784	S	S	*	*			trans	-80.7	156.5	-170.1	-58	173.8	106.8	0	0	111.9
492	S	27.4	Very low	29.6	Very low	106 Å²	106	140.1 Å²	140.1	74%	0.741	78%	0.782	S	S	*	*			trans	-143.9	101.1	165.2	-162.1	0	0	0	0	111.8
493	S	30	Very low	29.6	Very low	119 Å²	119	136.4 Å²	136.4	83%	0.832	77%	0.773	S	S	*	*			trans	-83	131.7	159.8	49.8	0	0	0	0	109
494	T	31.2	Very low	29.6	Very low	103 Å²	103	138 Å²	138	63%	0.632	78%	0.777	S	S	*	*			trans	-134.3	106.6	176.9	39.4	0	0	0	0	112
495	S	28.8	Very low	29.8	Very low	126 Å²	126	137.7 Å²	137.7	88%	0.881	78%	0.776	S	S	*	*			trans	-84.7	131.4	163.5	-58.4	0	0	0	0	109.2
496	F	28.5	Very low	29.8	Very low	181 Å²	181	135.2 Å²	135.2	79%	0.794	77%	0.773	S	S	*	*			trans	-91.6	116.7	176.9	-86.9	-91.6	0	0	0	112.2
497	L	29.2	Very low	29.8	Very low	174 Å²	174	137 Å²	137	91%	0.911	77%	0.773	S	S	*	*			trans	-121.4	136.1	157.3	-93.1	170.8	0	0	0	108
498	L	32	Very low	29.8	Very low	156 Å²	156	138 Å²	138	82%	0.817	77%	0.773	S	S	*	*			trans	-135.5	121	174	-111.2	168.9	0	0	0	109.3
499	G	24.7	Very low	30.2	Very low	66 Å²	66	144.4 Å²	144.4	68%	0.68	78%	0.781	S	S	*	*			trans	-125.4	153.9	169.6	0	0	0	0	0	109.8
500	L	31.9	Very low	30.7	Very low	179 Å²	179	143.6 Å²	143.6	94%	0.937	79%	0.787	S	S	*	*			trans	-125.8	160.6	170.2	-73	174.7	0	0	0	109.8
501	S	27.5	Very low	30.5	Very low	109 Å²	109	139 Å²	139	76%	0.762	79%	0.785	S	S	*	*			trans	-134.7	-170.8	-159.9	-172.5	0	0	0	0	111.6
502	H	32.8	Very low	30.4	Very low	172 Å²	172	136 Å²	136	80%	0.796	79%	0.785	S	S	*	*			trans	76.1	143.2	177.9	-77.6	-93.3	0	0	0	116.6
503	S	29.1	Very low	30.5	Very low	71 Å²	71	134.7 Å²	134.7	50%	0.497	79%	0.789	S	S	.	*			cis	-161.6	147.4	-8.1	-141	0	0	0	0	112.7
504	Q	31.4	Very low	30.6	Very low	156 Å²	156	135.6 Å²	135.6	73%	0.729	80%	0.795	S	S	*	*			trans	64	161.8	150.5	-71.3	171.8	65.8	0	0	117.3
505	Q	32.5	Very low	30.5	Very low	151 Å²	151	134.4 Å²	134.4	71%	0.706	80%	0.804	S	S	*	*			cis	-151.7	141.8	0.7	-134.6	174.9	57.2	0	0	111.6
506	Q	29.9	Very low	30.7	Very low	158 Å²	158	134.7 Å²	134.7	74%	0.738	81%	0.806	S	S	*	*			trans	39.8	145.6	147.2	-74.3	-168.1	3.9	0	0	126.4
507	L	28.2	Very low	30.8	Very low	157 Å²	157	129.6 Å²	129.6	82%	0.822	80%	0.804	S	S	*	*			trans	64	128.9	147.8	-68.4	163.3	0	0	0	118.4
508	A	27.9	Very low	31	Very low	96 Å²	96	127.5 Å²	127.5	79%	0.793	80%	0.804	S	S	*	*			cis	-166	178	35.4	0	0	0	0	0	112.5
509	R	34.8	Very low	30.9	Very low	242 Å²	242	124.6 Å²	124.6	91%	0.913	80%	0.803	S	S	*	*			trans	-144.9	122.7	174	-170.3	-176.2	-173.9	-168.6	3.9	110.7
510	P	39.8	Very low	31.4	Very low	128 Å²	128	129.4 Å²	129.4	83%	0.831	81%	0.812	S	S	*	*				-135.1	178.3	115.9	37.7	-26.2	0	0	0	110.7
511	G	27.9	Very low	31.4	Very low	73 Å²	73	130.9 Å²	130.9	75%	0.753	81%	0.811	S	S	*	*			cis	-164.4	-173	2	0	0	0	0	0	110.9
512	S	33.6	Very low	31.4	Very low	132 Å²	132	128.8 Å²	128.8	92%	0.923	81%	0.806	S	S	*	*			trans	-75.4	137.2	-174.6	52.7	0	0	0	0	114.5
513	G	28.7	Very low	31.3	Very low	80 Å²	80	133.4 Å²	133.4	83%	0.825	82%	0.817	S	S	*	*			trans	-148.7	130	166.2	0	0	0	0	0	111.1
514	S	31.8	Very low	31.3	Very low	137 Å²	137	138.8 Å²	138.8	96%	0.958	83%	0.834	S	S	*	*			trans	-95.7	135.3	179.7	175.7	0	0	0	0	110.7
515	G	29.7	Very low	31.4	Very low	79 Å²	79	136.7 Å²	136.7	81%	0.814	84%	0.837	S	S	*	*			trans	-167.2	110.7	175.8	0	0	0	0	0	112.6
516	S	32.6	Very low	31.4	Very low	132 Å²	132	136.5 Å²	136.5	92%	0.923	84%	0.84	S	S	*	*			trans	-101.6	135.5	168.8	176.7	0	0	0	0	109.2
517	G	30	Very low	31.6	Very low	73 Å²	73	136.2 Å²	136.2	75%	0.753	84%	0.842	S	S	*	*			trans	161.1	105.3	174.1	0	0	0	0	0	112.7
518	S	33.8	Very low	31.8	Very low	130 Å²	130	135.7 Å²	135.7	91%	0.909	84%	0.84	S	S	*	*			trans	-80.6	137.6	171.6	-172.3	0	0	0	0	110.5
519	A	30.9	Very low	32	Very low	96 Å²	96	139.6 Å²	139.6	79%	0.793	85%	0.846	S	S	*	*			trans	-144.1	160.7	176.2	0	0	0	0	0	110.9
520	L	33.6	Very low	31.6	Very low	167 Å²	167	131.1 Å²	131.1	87%	0.874	83%	0.834	S	S	*	*			trans	-96.9	168	-160.7	-68.4	159.4	0	0	0	114.9
521	K	32.5	Very low	31.8	Very low	210 Å²	210	131 Å²	131	91%	0.913	83%	0.834	S	S	*	*			trans	94.5	143.4	154.8	-58.3	-173	175.4	-174.8	0	118.7
522	G	27.2	Very low	31.8	Very low	65 Å²	65	136.9 Å²	136.9	67%	0.67	84%	0.844	S	S	*	*			trans	111.4	66.9	137.4	0	0	0	0	0	116.9	H524	G522-H524 PolarHBondContact O-N 1.78Å
523	W	31.1	Very low	31.5	Very low	269 Å²	269	135.1 Å²	135.1	100%	1.019	84%	0.837	S	S	*	*			trans	-85.1	99.3	160.9	-80.8	47.1	0	0	0	109.2
524	H	29.5	Very low	31.6	Very low	183 Å²	183	138.5 Å²	138.5	85%	0.847	84%	0.841	S	S	*	*			trans	-88.2	144.8	159.1	-99.2	-96.1	0	0	0	109.3	G522	G522-H524 PolarHBondContact O-N 1.78Å
525	S	33.6	Very low	31.3	Very low	113 Å²	113	137.6 Å²	137.6	79%	0.79	84%	0.835	S	S	*	*			trans	-109.3	115	177.4	56.2	0	0	0	0	111.3
526	D	32.8	Very low	31.2	Very low	147 Å²	147	138.8 Å²	138.8	79%	0.786	84%	0.837	S	S	*	*			trans	-120.7	137.8	157.9	-64.9	-63.6	0	0	0	106.3
527	I	34.5	Very low	31.1	Very low	151 Å²	151	138 Å²	138	77%	0.774	83%	0.832	S	S	*	*				164.3	145.7	93.9	-86.8	-169.3	0	0	0	104.1
528	L	31.5	Very low	31.1	Very low	147 Å²	147	139.9 Å²	139.9	77%	0.77	83%	0.833	S	S	*	*			cis	-163.8	162	-17	-102.1	176	0	0	0	105.5
529	L	31.5	Very low	31	Very low	177 Å²	177	141.8 Å²	141.8	93%	0.927	83%	0.832	S	S	*	*			trans	-157.4	145.1	136.9	-112.8	166.6	0	0	0	111.2
530	G	27.8	Very low	30.9	Very low	64 Å²	64	143.1 Å²	143.1	66%	0.66	83%	0.831	S	S	*	*			trans	-92.8	-176.8	-165.8	0	0	0	0	0	115.9
531	P	43.2	Very low	30.6	Very low	127 Å²	127	139.7 Å²	139.7	83%	0.825	83%	0.827	S	S	*	*			trans	-102.1	162	-156.6	38.3	-36.5	0	0	0	115.5
532	M	27.2	Very low	30.3	Very low	196 Å²	196	133.2 Å²	133.2	97%	0.966	82%	0.819	S	S	*	*			trans	-128.7	152.7	148.7	-93.9	-169	162.1	0	0	109.5
533	A	28.9	Very low	30.4	Very low	95 Å²	95	142 Å²	142	79%	0.785	83%	0.832	S	S	*	*			trans	-120.7	154	-169.3	0	0	0	0	0	112.6
534	V	29.2	Very low	30.3	Very low	150 Å²	150	139.5 Å²	139.5	91%	0.909	82%	0.824	S	S	*	*			trans	-154.3	149.5	142.4	-101.3	0	0	0	0	109.8
535	S	26.7	Very low	30.3	Very low	119 Å²	119	139.1 Å²	139.1	83%	0.832	83%	0.828	S	S	*	*			trans	-89.3	151.8	-174.9	-49.8	0	0	0	0	113.3
536	A	27.5	Very low	29.8	Very low	104 Å²	104	138.6 Å²	138.6	86%	0.86	82%	0.824	S	S	*	*			trans	-139.8	131.1	148.3	0	0	0	0	0	108.6
537	S	29.6	Very low	29.6	Very low	116 Å²	116	136.3 Å²	136.3	81%	0.811	82%	0.819	S	S	*	*			trans	-98.2	152	-175.5	-63.1	0	0	0	0	112.5
538	S	30.6	Very low	29.3	Very low	112 Å²	112	137.5 Å²	137.5	78%	0.783	82%	0.822	S	S	*	*			trans	-16.8	147.4	165.7	-45.5	0	0	0	0	118.6
539	L	31.4	Very low	29.1	Very low	169 Å²	169	136.4 Å²	136.4	89%	0.885	82%	0.821	S	S	*	*				-155.6	162.2	113.4	-109	172.9	0	0	0	113.4
540	T	28.5	Very low	29.1	Very low	125 Å²	125	134 Å²	134	77%	0.767	81%	0.814	S	S	*	*			trans	-87	146.6	-168.6	51	0	0	0	0	114.3
541	A	28.1	Very low	29.2	Very low	95 Å²	95	140.6 Å²	140.6	79%	0.785	82%	0.819	S	S	*	*				-166.5	136.8	128.9	0	0	0	0	0	110.8
542	G	25	Very low	28.4	Very low	73 Å²	73	144.7 Å²	144.7	75%	0.753	82%	0.824	S	S	*	*			trans	-125.7	144.1	165.5	0	0	0	0	0	109.4
543	W	30.4	Very low	28.6	Very low	250 Å²	250	144.1 Å²	144.1	95%	0.947	81%	0.813	S	S	*	*			trans	-131.4	148.1	174.7	-82.3	85.4	0	0	0	111
544	Y	28.4	Very low	28.6	Very low	217 Å²	217	145.2 Å²	145.2	85%	0.851	81%	0.814	S	S	*	*			trans	-105.7	143.6	-170.5	-139.8	-100.8	0	0	0	109.5
545	L	29.8	Very low	28.7	Very low	175 Å²	175	143.3 Å²	143.3	92%	0.916	81%	0.808	S	S	*	*			trans	-170.1	166.5	138.1	-106.8	167	0	0	0	111.6
546	S	24.3	Very low	28.9	Very low	101 Å²	101	141.8 Å²	141.8	71%	0.706	81%	0.811	S	S	*	*			trans	-141.9	-164.1	-170.2	-167.8	0	0	0	0	110.8
547	S	27.7	Very low	29.2	Very low	99 Å²	99	142 Å²	142	69%	0.692	81%	0.806	S	S	*	*			trans	80.7	120.9	-168.1	-53.5	0	0	0	0	112.4
548	E	28	Very low	29.4	Very low	177 Å²	177	143.6 Å²	143.6	83%	0.827	81%	0.811	S	S	*	*				64	137.6	58.5	-58.9	-165.8	129.3	0	0	112.1
549	T	28.3	Very low	29.7	Very low	123 Å²	123	145.8 Å²	145.8	76%	0.755	81%	0.812	S	S	*	*			cis	-142.4	169.6	16.5	-23.1	0	0	0	0	108.1
550	T	29.9	Very low	29.7	Very low	128 Å²	128	143.6 Å²	143.6	79%	0.785	81%	0.811	S	S	*	*				-163.5	151.1	58.4	44.2	0	0	0	0	112.3
551	R	30.4	Very low	29.8	Very low	201 Å²	201	141.2 Å²	141.2	76%	0.758	81%	0.812	S	S	*	*			trans	-89.9	155.9	167.8	-58.9	176	-175.3	153.8	3.9	111.4
552	F	27.4	Very low	30	Very low	213 Å²	213	142 Å²	142	93%	0.934	82%	0.819	S	S	*	*			trans	-135.9	147.4	142.6	-104.7	-82.9	0	0	0	110.2
553	Y	30.5	Very low	30.1	Very low	185 Å²	185	141.7 Å²	141.7	73%	0.725	82%	0.815	S	S	*	*			trans	-93	151.4	-175.8	-84.9	-100.6	0	0	0	112.1
554	S	28.1	Very low	30.2	Very low	117 Å²	117	140.3 Å²	140.3	82%	0.818	82%	0.816	S	S	*	*				-150.7	145.1	126.2	-161	0	0	0	0	110.7
555	S	31.6	Very low	30.4	Very low	111 Å²	111	133.2 Å²	133.2	78%	0.776	81%	0.809	S	S	*	*			trans	-156.1	135	176.7	-63.9	0	0	0	0	108.8
556	G	31	Very low	31.5	Very low	86 Å²	86	130.5 Å²	130.5	89%	0.887	80%	0.802	S	S	*	*			trans	-146.2	111.8	179.1	0	0	0	0	0	110.3
557	S	34.8	Very low	31.9	Very low	108 Å²	108	134 Å²	134	76%	0.755	81%	0.811	S	S	*	*			trans	-121.2	150	-173.3	54.4	0	0	0	0	111.8
558	V	33.6	Very low	31.9	Very low	151 Å²	151	133 Å²	133	92%	0.915	82%	0.817	S	S	*	*			trans	-141.5	152.1	161	-154.9	0	0	0	0	108.7
559	L	36.8	Very low	32	Very low	157 Å²	157	131.3 Å²	131.3	82%	0.822	82%	0.823	S	S	*	*			trans	-128.9	144.9	-162.3	-78.3	157.5	0	0	0	113.5
560	S	30.5	Very low	31.9	Very low	123 Å²	123	129.2 Å²	129.2	86%	0.86	83%	0.826	S	S	*	*			trans	-178.8	142.8	143.6	-76.8	0	0	0	0	107.7
561	G	30.4	Very low	31.9	Very low	76 Å²	76	128.5 Å²	128.5	78%	0.784	83%	0.833	S	S	*	*			cis	99.7	121.5	10.1	0	0	0	0	0	111.3
562	A	32.3	Very low	31.7	Very low	112 Å²	112	122 Å²	122	93%	0.926	83%	0.828	S	S	*	*			cis	-155.9	-175.2	-2.7	0	0	0	0	0	109.3
563	G	27.9	Very low	31.7	Very low	65 Å²	65	120.2 Å²	120.2	67%	0.67	83%	0.828	S	S	*	*			cis	-173.2	-81.9	8.4	0	0	0	0	0	115.8
564	F	33.1	Very low	31.6	Very low	221 Å²	221	119 Å²	119	97%	0.969	83%	0.828	S	S	*	*			trans	-128.3	169.1	-167.8	-62.1	-98	0	0	0	111.4
565	G	33.1	Very low	31.7	Very low	68 Å²	68	117.6 Å²	117.6	70%	0.701	82%	0.824	S	S	*	*			cis	-167.6	-157.4	18	0	0	0	0	0	114.5
566	P	51.6	Low	31.4	Very low	118 Å²	118	117.5 Å²	117.5	77%	0.766	82%	0.819	S	S	*	*			trans	-129.6	-170.7	-147.9	38.9	-21	0	0	0	118.5
567	L	34.1	Very low	31.2	Very low	174 Å²	174	124.6 Å²	124.6	91%	0.911	82%	0.819	S	S	*	*			trans	93.2	143.9	166.5	-67.2	127.6	0	0	0	120.1
568	G	26.6	Very low	30.8	Very low	78 Å²	78	129.8 Å²	129.8	80%	0.804	82%	0.822	S	S	*	*			trans	162.7	112.7	167.2	0	0	0	0	0	114.3
569	C	29.2	Very low	30.4	Very low	143 Å²	143	132.2 Å²	132.2	97%	0.966	82%	0.815	S	S	*	*			trans	-110.8	158	178.1	-62.7	0	0	0	0	112.5
570	G	26.9	Very low	29.9	Very low	78 Å²	78	134 Å²	134	80%	0.804	82%	0.819	S	S	*	*			trans	-170.7	149.8	170.5	0	0	0	0	0	113.2
571	A	30.8	Very low	29.9	Very low	114 Å²	114	140.1 Å²	140.1	94%	0.942	82%	0.823	S	S	*	*			trans	-153.3	158.9	-173	0	0	0	0	0	114.7
572	G	25.8	Very low	29.7	Very low	64 Å²	64	141.2 Å²	141.2	66%	0.66	83%	0.825	S	S	*	*			trans	159.2	139.9	174.8	0	0	0	0	0	109.6
573	L	27.3	Very low	29.5	Very low	175 Å²	175	139.4 Å²	139.4	92%	0.916	82%	0.817	S	S	*	*			cis	66.1	126.2	29.7	-52.3	177.1	0	0	0	113.3
574	E	28.8	Very low	29.5	Very low	159 Å²	159	142.8 Å²	142.8	74%	0.743	82%	0.82	S	S	*	*			cis	-138.2	-148.5	-9.4	-145.7	-142.4	118.9	0	0	107.9	V576	E574-V576 PolarHBondContact OE1-N 2.66Å
575	A	28.6	Very low	29.4	Very low	89 Å²	89	143.1 Å²	143.1	74%	0.736	81%	0.814	S	S	*	*			cis	-149.8	156.6	10.9	0	0	0	0	0	116.5
576	V	26.8	Very low	29.1	Very low	108 Å²	108	143.6 Å²	143.6	66%	0.655	82%	0.82	S	S	*	*			trans	-82.9	147	-176	171.6	0	0	0	0	116.2	E574	E574-V576 PolarHBondContact OE1-N 2.66Å
577	R	26.9	Very low	28.1	Very low	235 Å²	235	146.4 Å²	146.4	89%	0.887	83%	0.828	S	S	*	*			trans	-154.8	120.4	144.5	-100.5	174.3	179.1	90.7	-5.2	108.8
578	R	26.1	Very low	27.8	Very low	217 Å²	217	143.8 Å²	143.8	82%	0.819	82%	0.824	S	S	*	*				55.7	137.6	69.4	-81.8	-161.6	167.2	-174.7	0	114.4
579	R	25.8	Very low	28.1	Very low	203 Å²	203	151 Å²	151	77%	0.766	83%	0.827	S	S	*	*			cis	179.6	135.2	-7.6	173.4	-160.6	-170.8	-157	6	109.4
580	Q	25.3	Very low	27.9	Very low	194 Å²	194	155.7 Å²	155.7	91%	0.907	83%	0.825	S	S	*	*			trans	-169	154	136.4	-114.8	164.8	-30.6	0	0	114.7
581	R	29.7	Very low	27.9	Very low	251 Å²	251	157.4 Å²	157.4	95%	0.947	82%	0.824	S	S	*	*			trans	-158.8	131.3	177.5	-173.2	-174.4	-171.2	-168	5.9	109.9
582	A	27	Very low	27.8	Very low	100 Å²	100	163.1 Å²	163.1	83%	0.826	82%	0.822	S	S	*	*			trans	-151.8	153	160.1	0	0	0	0	0	105.4
583	G	28.5	Very low	28	Very low	74 Å²	74	168.8 Å²	168.8	76%	0.763	83%	0.831	S	S	*	*			cis	108.6	124.1	21.9	0	0	0	0	0	108.4
584	D	27.9	Very low	28.1	Very low	136 Å²	136	169.1 Å²	169.1	73%	0.727	83%	0.827	S	S	*	*			cis	-154.3	170.2	1	-169.8	25.5	0	0	0	111.3
585	R	30.2	Very low	28.1	Very low	227 Å²	227	167.6 Å²	167.6	86%	0.857	82%	0.82	S	S	*	*			trans	16	131.2	163	-75.5	163	-177.3	-178.3	-3	121.8
586	G	26.7	Very low	28.4	Very low	79 Å²	79	166.9 Å²	166.9	81%	0.814	81%	0.81	S	S	*	*			trans	-154.4	116.9	150.9	0	0	0	0	0	111.7
587	N	30.9	Very low	29	Very low	177 Å²	177	166.3 Å²	166.3	95%	0.947	81%	0.811	S	S	*	*			trans	-88.1	136.6	179.3	-104.6	-2.1	0	0	0	111.3
588	S	27.9	Very low	29.5	Very low	118 Å²	118	159.3 Å²	159.3	83%	0.825	79%	0.787	S	S	*	*			trans	-153.5	142.3	153.3	-164.9	0	0	0	0	111.6
589	R	32.4	Very low	30.1	Very low	230 Å²	230	154 Å²	154	87%	0.868	77%	0.771	S	S	*	*			trans	-92.6	139.2	172.2	-67.8	176.5	170	-167.3	-2.8	109.4
590	R	26.5	Very low	30.8	Very low	242 Å²	242	149.6 Å²	149.6	91%	0.913	76%	0.758	S	S	*	*			trans	-172.9	148.8	140.4	-105.4	154.9	-160.2	-84.9	1.3	113.4
591	S	25.3	Very low	31.5	Very low	114 Å²	114	146.4 Å²	146.4	80%	0.797	74%	0.743	S	S	*	*			trans	36.9	120.6	161.3	-100.4	0	0	0	0	120.8
592	W	29.9	Very low	32	Very low	234 Å²	234	137.3 Å²	137.3	89%	0.886	71%	0.713	S	S	*	*			trans	-71.3	135.9	146.2	-71.8	80.4	0	0	0	109.9
593	H	28.8	Very low	32.4	Very low	183 Å²	183	141.2 Å²	141.2	85%	0.847	71%	0.711	S	S	*	*			trans	-173.1	103.3	149.2	-111.9	-80.9	0	0	0	107
594	E	29.3	Very low	33.1	Very low	181 Å²	181	148.2 Å²	148.2	85%	0.846	71%	0.714	S	S	*	*			trans	-107	95.5	-179.6	-167.3	167.2	-174.9	0	0	109.6	S596	E594-S596 PolarHBondContact O-N 2.71Å
595	E	28.9	Very low	33.7	Very low	127 Å²	127	151.6 Å²	151.6	59%	0.593	72%	0.717	S	S	*	*			trans	-67	120.6	-176.2	-66.4	179.4	147.3	0	0	112	K600	E595-K600 PolarHBondContact O-NZ 3.49Å; E595-K600 IonicContact OE2-NZ 3.24Å
596	S	35.8	Very low	34	Very low	74 Å²	74	145.7 Å²	145.7	52%	0.517	71%	0.711	S	S	.	*			trans	-55.9	142.2	179.6	178	0	0	0	0	113.2	E594 F598 E599	E594-S596 PolarHBondContact O-N 2.71Å; S596-F598 PolarHBondContact O-N 3.2Å; S596-F598 PolarHBondContact OG-N 3.1Å; S596-E599 PolarHBondContact O-N 2.97Å
597	S	40.2	Very low	34.5	Very low	96 Å²	96	147.3 Å²	147.3	67%	0.671	71%	0.708	S	S	*	*	H	α-helix	trans	-56.6	-18.7	174.3	-64.7	0	0	0	0	114	K600	S597-K600 PolarHBondContact O-N 2.88Å
598	F	36.6	Very low	35	Very low	89 Å²	89	147.4 Å²	147.4	39%	0.39	70%	0.703	S	S	.	*	H	α-helix	trans	-60.9	-47.9	178.8	-179.6	-106.7	0	0	0	113.3	L296 S596 K600 Q601 L602	L296-F598 HydrophobicContact CB-CE1 3.91Å; L296-F598 HydrophobicContact CB-CZ 3.63Å; L296-F598 HydrophobicContact CD1-CE1 4.32Å; L296-F598 HydrophobicContact CD1-CE2 3.74Å; L296-F598 HydrophobicContact CD1-CZ 3.39Å; L296-F598 HydrophobicContact CD2-CE1 3.9Å; L296-F598 HydrophobicContact CD2-CE2 4.45Å; L296-F598 HydrophobicContact CD2-CZ 3.79Å; L296-F598 HydrophobicContact CG-CE1 4.21Å; L296-F598 HydrophobicContact CG-CE2 4.49Å; L296-F598 HydrophobicContact CG-CZ 3.73Å; S596-F598 PolarHBondContact O-N 3.2Å; S596-F598 PolarHBondContact OG-N 3.1Å; F598-K600 VanDerWaalsContact C-N 3.27Å; F598-K600 PolarHBondContact O-N 2.9Å; F598-Q601 PolarHBondContact O-N 3.06Å; F598-L602 HydrophobicContact CD1-CD1 4.03Å; F598-L602 HydrophobicContact CE1-CD1 3.39Å; F598-L602 HydrophobicContact CE2-CD1 4.45Å; F598-L602 HydrophobicContact CZ-CD1 3.6Å
599	E	37.6	Very low	35.4	Very low	104 Å²	104	150 Å²	150	49%	0.486	71%	0.706	S	S	.	*	H	α-helix	trans	-67.8	-29.8	-177.5	-65	-172.2	92.1	0	0	112.8	S596 Q601 L602 K603	S596-E599 PolarHBondContact O-N 2.97Å; E599-Q601 PolarHBondContact O-N 3.09Å; E599-L602 PolarHBondContact O-N 2.93Å; E599-K603 PolarHBondContact O-N 3Å
600	K	41.9	Very low	35.5	Very low	111 Å²	111	147 Å²	147	48%	0.483	71%	0.708	S	S	.	*	H	α-helix	trans	-66.7	-21.3	-179	-71.5	157.3	-177.7	158.1	0	112.8	E595 S597 F598	E595-K600 PolarHBondContact O-NZ 3.49Å; E595-K600 IonicContact OE2-NZ 3.24Å; S597-K600 PolarHBondContact O-N 2.88Å; F598-K600 VanDerWaalsContact C-N 3.27Å; F598-K600 PolarHBondContact O-N 2.9Å
601	Q	40.6	Very low	35.6	Very low	127 Å²	127	138.8 Å²	138.8	59%	0.593	70%	0.698	S	S	*	*	H	α-helix	trans	-83.4	-39	171.3	-74.4	-161.6	-1.8	0	0	113.7	F598 E599 K603 R604	F598-Q601 PolarHBondContact O-N 3.06Å; E599-Q601 PolarHBondContact O-N 3.09Å; Q601-K603 PolarHBondContact O-N 3.16Å; Q601-R604 PolarHBondContact O-N 3.29Å
602	L	39.4	Very low	35.9	Very low	60 Å²	60	139.5 Å²	139.5	31%	0.314	70%	0.703	S	S	.	*	H	α-helix	trans	-57.6	-50.3	178.1	-83.4	141.6	0	0	0	111.3	K300 F598 E599 R604 R605	K300-L602 VanDerWaalsContact NZ-CD1 3.33Å; F598-L602 HydrophobicContact CD1-CD1 4.03Å; F598-L602 HydrophobicContact CE1-CD1 3.39Å; F598-L602 HydrophobicContact CE2-CD1 4.45Å; F598-L602 HydrophobicContact CZ-CD1 3.6Å; E599-L602 PolarHBondContact O-N 2.93Å; L602-R604 PolarHBondContact O-N 3.08Å; L602-R604 VanDerWaalsContact O-N 3.12Å; L602-R605 PolarHBondContact O-N 3.4Å
603	K	35.4	Very low	35.8	Very low	182 Å²	182	139.8 Å²	139.8	79%	0.791	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-17.3	-173.8	-148	161.7	-170.7	167	0	114.2	E599 Q601	E599-K603 PolarHBondContact O-N 3Å; Q601-K603 PolarHBondContact O-N 3.16Å
604	R	43.6	Very low	35.9	Very low	221 Å²	221	140 Å²	140	83%	0.834	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-10.6	174.2	-84.1	-172.4	176	-111.3	2.3	114.8	Q601 L602	Q601-R604 PolarHBondContact O-N 3.29Å; L602-R604 PolarHBondContact O-N 3.08Å; L602-R604 VanDerWaalsContact O-N 3.12Å
605	R	40.1	Very low	35.9	Very low	207 Å²	207	139.2 Å²	139.2	78%	0.781	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	-11.5	-178.9	-69.7	-170.2	178.8	179.6	5.6	115	L602	L602-R605 PolarHBondContact O-N 3.4Å
606	S	36.6	Very low	35.9	Very low	104 Å²	104	141.7 Å²	141.7	73%	0.727	72%	0.721	S	S	*	*	S	Bend	trans	-80.7	-11.9	178.1	-164.1	0	0	0	0	114.6
607	C	37.5	Very low	35.7	Very low	113 Å²	113	149.7 Å²	149.7	76%	0.764	74%	0.74	S	S	*	*	S	Bend	trans	-111	46.3	-170.9	-58.1	0	0	0	0	112.8
608	Q	41.8	Very low	36.1	Very low	179 Å²	179	151 Å²	151	84%	0.836	75%	0.746	S	S	*	*			trans	-153.8	47.4	177.9	-144.4	167.8	23.8	0	0	114.3
609	L	35	Very low	35.8	Very low	171 Å²	171	153.7 Å²	153.7	90%	0.895	77%	0.769	S	S	*	*	S	Bend	trans	-149.5	50.1	172.5	-123.4	176.1	0	0	0	113.4
610	D	35.5	Very low	36.3	Very low	168 Å²	168	154 Å²	154	90%	0.898	78%	0.78	S	S	*	*			trans	-149.1	141.4	155.8	-127.3	-31.6	0	0	0	109.5
611	G	28	Very low	35.8	Very low	69 Å²	69	155.6 Å²	155.6	71%	0.711	80%	0.8	S	S	*	*			trans	129.4	60.2	-174.2	0	0	0	0	0	115.5	R613	G611-R613 PolarHBondContact O-N 3.04Å
612	S	31	Very low	35.2	Very low	129 Å²	129	160.8 Å²	160.8	90%	0.902	81%	0.814	S	S	*	*			trans	-64.5	125.1	167.3	-61.2	0	0	0	0	111.1
613	R	28.2	Very low	35.6	Very low	241 Å²	241	163.3 Å²	163.3	91%	0.909	83%	0.834	S	S	*	*			trans	-148.5	124	166	-173.7	166.1	175.4	154.8	-1.9	110.7	G611	G611-R613 PolarHBondContact O-N 3.04Å
614	E	30.8	Very low	35.5	Very low	186 Å²	186	158.1 Å²	158.1	87%	0.869	83%	0.832	S	S	*	*			trans	-77.9	153.2	177	-62.6	172.8	108	0	0	111.3
615	D	29.2	Very low	34.8	Very low	166 Å²	166	158 Å²	158	89%	0.888	84%	0.838	S	S	*	*			trans	-121.3	111.3	-174.3	-151.7	14.5	0	0	0	109.9
616	M	29.5	Very low	34.8	Very low	178 Å²	178	153.6 Å²	153.6	88%	0.877	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-95	146.5	180	-80.4	-153.8	-70.5	0	0	112.1
617	R	30.7	Very low	34.5	Very low	242 Å²	242	152.2 Å²	152.2	91%	0.913	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-72.5	149.6	-173.1	-63.6	-179.1	-178.6	176.2	0.9	113.1
618	P	48.6	Very low	34.6	Very low	123 Å²	123	152.6 Å²	152.6	80%	0.799	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-95.8	139.2	-173.7	36	-34.8	0	0	0	114.9
619	V	30.7	Very low	34.2	Very low	146 Å²	146	153 Å²	153	89%	0.885	85%	0.849	S	S	*	*			trans	-152.7	163.2	154.6	-104.4	0	0	0	0	107.9
620	P	48.8	Very low	34.2	Very low	110 Å²	110	153.5 Å²	153.5	71%	0.714	85%	0.847	S	S	*	*			trans	-123.8	-167.4	-131.2	42.6	-30.3	0	0	0	115.7
621	T	30.5	Very low	34.3	Very low	146 Å²	146	151.9 Å²	151.9	90%	0.896	84%	0.843	S	S	*	*			trans	113.4	166.1	165.5	69.6	0	0	0	0	116.7
622	R	29.2	Very low	34.6	Very low	236 Å²	236	156 Å²	156	89%	0.891	85%	0.846	S	S	*	*			trans	-123.3	175.6	-159.8	-116.2	-179.5	167.9	-165.8	-3.5	108
623	P	47.8	Very low	34.9	Very low	112 Å²	112	158.3 Å²	158.3	73%	0.727	84%	0.843	S	S	*	*			cis	-135.8	152.4	-12	35.5	-17.6	0	0	0	115.8
624	G	32.7	Very low	35.3	Very low	73 Å²	73	152.8 Å²	152.8	75%	0.753	84%	0.836	S	S	*	*			trans	64.3	136.7	134.1	0	0	0	0	0	122.5
625	F	28.9	Very low	36.2	Very low	220 Å²	220	153 Å²	153	97%	0.965	86%	0.858	S	S	*	*			trans	-152.6	168.5	133.4	-134.8	-99.8	0	0	0	110.3
626	S	40.4	Very low	36.6	Very low	114 Å²	114	152.3 Å²	152.3	80%	0.797	86%	0.856	S	S	*	*			trans	-102.6	148	178.9	-169.9	0	0	0	0	111.5
627	G	30.5	Very low	37	Very low	74 Å²	74	150.9 Å²	150.9	76%	0.763	86%	0.855	S	S	*	*			trans	-171.7	117.6	175.5	0	0	0	0	0	111.7
628	S	37.8	Very low	37.3	Very low	122 Å²	122	145.9 Å²	145.9	85%	0.853	85%	0.852	S	S	*	*			trans	-81.5	145.8	175	45.5	0	0	0	0	111.4
629	M	33.8	Very low	36.6	Very low	187 Å²	187	147.2 Å²	147.2	92%	0.921	86%	0.855	S	S	*	*			trans	-113.8	117.2	175.7	-167.8	166.3	74.1	0	0	109.8
630	E	34.8	Very low	37	Very low	181 Å²	181	147.3 Å²	147.3	85%	0.846	85%	0.853	S	S	*	*			trans	-81	154.3	175.8	-66.5	-175.3	124.7	0	0	111.3
631	V	38.5	Very low	36.2	Very low	135 Å²	135	149.8 Å²	149.8	82%	0.818	86%	0.862	S	S	*	*			trans	-95.5	120.6	177.8	177.3	0	0	0	0	109.1
632	I	33.4	Very low	36.6	Very low	154 Å²	154	150.1 Å²	150.1	79%	0.79	86%	0.86	S	S	*	*			trans	-103.9	114.2	166.7	-62.3	177.3	0	0	0	107.9	V634	I632-V634 HydrophobicContact CG2-CG2 4.04Å
633	Q	38.2	Very low	37.2	Very low	178 Å²	178	143.5 Å²	143.5	83%	0.832	86%	0.858	S	S	*	*			trans	-105.3	129.8	169.3	-179.3	178.2	-2.2	0	0	108.2
634	V	36.6	Very low	36.3	Very low	125 Å²	125	146.1 Å²	146.1	76%	0.758	87%	0.869	S	S	*	*			trans	-129.9	143.8	168.7	-173.8	0	0	0	0	107.6	I632	I632-V634 HydrophobicContact CG2-CG2 4.04Å
635	S	50.1	Low	36.6	Very low	190 Å²	190	152.7 Å²	152.7	100%	1.329	88%	0.879	S	S	*	*			trans	-70.3	0	-165.9	-47.7	0	0	0	0	115.5

Retrieved 635 of 635 residues in 226 ms (Link to these results)

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