A0A061IJA8_CRIGR Loading...

Receptor-interacting serine/threonine-protein kinase 2

Serine/threonine/tyrosine-protein kinase that plays an essential role in modulation of innate and adaptive immune responses. Acts as a key effector of NOD1 and NOD2 signaling pathways: upon activation by bacterial peptidoglycans, NOD1 and NOD2 oligomerize and recruit RIPK2 via CARD-CARD domains, leading to the formation of RIPK2 filaments.

AlphaFold DB , UniProt , Accession A0A061IJA8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ripk2, Length 539 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.8	Very low	72.5	Confident	241 Å²	241	117.5 Å²	117.5	100%	1.187	73%	0.725	S	S	*	*				0	120.9	0	-69.8	166.7	172.9	0	0	106.7	G3	M1-G3 PolarHBondContact O-N 2.89Å
2	N	44.1	Very low	74.5	Confident	173 Å²	173	116.8 Å²	116.8	93%	0.925	72%	0.724	S	S	*	*			trans	-84.5	96.6	169.2	-69.2	9.7	0	0	0	106.4
3	G	47.7	Very low	76.2	Confident	68 Å²	68	108.3 Å²	108.3	70%	0.701	67%	0.671	S	S	*	*			trans	-87.3	133.7	165.5	0	0	0	0	0	108.6	M1 A5	M1-G3 PolarHBondContact O-N 2.89Å; G3-A5 PolarHBondContact O-N 3.32Å
4	D	67	Low	77.6	Confident	163 Å²	163	104.2 Å²	104.2	87%	0.872	65%	0.647	S	S	*	*			trans	-62.5	126.7	177.7	-64.9	-56	0	0	0	110.4	I6	D4-I6 PolarHBondContact O-N 3.19Å
5	A	74.4	Confident	78.8	Confident	95 Å²	95	103.1 Å²	103.1	79%	0.785	63%	0.626	S	S	*	*			trans	-77	107	-173.8	0	0	0	0	0	110.8	G3 C7	G3-A5 PolarHBondContact O-N 3.32Å; A5-C7 PolarHBondContact O-N 3.2Å
6	I	80.5	Confident	79.8	Confident	178 Å²	178	105.3 Å²	105.3	91%	0.913	63%	0.627	S	S	*	*			trans	-65.8	102.4	171.5	-57.4	177.1	0	0	0	108.3	D4	D4-I6 PolarHBondContact O-N 3.19Å
7	C	81.8	Confident	80.8	Confident	118 Å²	118	102 Å²	102	80%	0.797	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-97.5	126.7	-178.8	-168.8	0	0	0	0	110.9	A5	A5-C7 PolarHBondContact O-N 3.2Å
8	S	87.3	Confident	81.7	Confident	80 Å²	80	96.9 Å²	96.9	56%	0.559	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-99.4	131.4	166	-179.2	0	0	0	0	109	H71	S8-H71 PolarHBondContact O-CE1 2.71Å; S8-H71 PolarHBondContact O-NE2 2.77Å
9	A	90.4	Very high	82.4	Confident	83 Å²	83	93.8 Å²	93.8	69%	0.686	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-84.4	147.5	174.7	0	0	0	0	0	111	P11 H71	A9-P11 WeakPolarHBondContact O-CD 3.47Å; A9-H71 PolarHBondContact O-CE1 2.97Å
10	L	92.3	Very high	83	Confident	41 Å²	41	94.2 Å²	94.2	22%	0.215	56%	0.558	C	S	.	*	P	Polyproline II helix	trans	-78.5	123.4	171.5	-177.6	63.5	0	0	0	109	A67 H71 I81 I84	L10-A67 HydrophobicContact CD2-CB 4.04Å; L10-H71 VanDerWaalsContact CA-CE1 3.5Å; L10-H71 WeakPolarHBondContact CA-CE1 3.48Å; L10-H71 HydrophobicContact CD1-CB 4.32Å; L10-H71 WeakPolarHBondContact CD1-ND1 3.33Å; L10-H71 PolarHBondContact N-CE1 2.67Å; L10-H71 VanDerWaalsContact N-CE1 3.28Å; L10-I81 HydrophobicContact CD1-CD1 3.67Å; L10-I81 HydrophobicContact CD1-CG1 3.88Å; L10-I81 HydrophobicContact CD1-CG2 4.21Å; L10-I81 HydrophobicContact CD2-CD1 3.83Å; L10-I81 HydrophobicContact CG-CD1 4.42Å; L10-I84 HydrophobicContact CD2-CB 4.02Å; L10-I84 HydrophobicContact CD2-CG2 3.82Å; L10-I84 HydrophobicContact CG-CG2 4.23Å
11	P	94.1	Very high	83.5	Confident	52 Å²	52	92.2 Å²	92.2	34%	0.338	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-64.8	129.9	-178.6	-25.5	36.3	0	0	0	112.7	A9 L82 G83 I84	A9-P11 WeakPolarHBondContact O-CD 3.47Å; P11-L82 WeakPolarHBondContact CD-O 3.32Å; P11-L82 WeakPolarHBondContact CG-O 3.17Å; P11-G83 CarbonylContact O-C 3.55Å; P11-G83 WeakPolarHBondContact O-CA 3.42Å; P11-I84 PolarHBondContact O-N 3.44Å
12	P	95.9	Very high	86.3	Confident	110 Å²	110	86.4 Å²	86.4	71%	0.714	51%	0.514	S	S	*	.	B	Isolated β-bridge	trans	-73.4	130.2	163.6	30.7	-31.9	0	0	0	109.4	I84	P12-I84 CarbonylContact C-O 3.59Å; P12-I84 WeakPolarHBondContact CA-O 3.42Å
13	I	97.1	Very high	88.7	Confident	6 Å²	6	85.4 Å²	85.4	3%	0.031	50%	0.499	C	S	.	.			trans	-115.9	111.1	178.7	-62.6	168.9	0	0	0	107.8	K17 L18 W40 I84 C85 V94	I13-K17 HydrophobicContact CG2-CB 4.24Å; I13-L18 HydrophobicContact CG2-CD2 4.05Å; I13-L18 HydrophobicContact CG2-CG 4.25Å; I13-W40 HydrophobicContact CD1-CH2 3.61Å; I13-W40 HydrophobicContact CD1-CZ3 3.96Å; I13-W40 HydrophobicContact CG1-CH2 4.08Å; I13-I84 PolarHBondContact N-O 3.12Å; I13-C85 VanDerWaalsContact O-CA 3.22Å; I13-C85 WeakPolarHBondContact O-CA 3.45Å; I13-C85 VanDerWaalsContact O-CB 3.26Å; I13-C85 WeakPolarHBondContact O-CB 3.45Å; I13-C85 PolarHBondContact O-SG 3.38Å; I13-C85 VanDerWaalsContact O-SG 3.38Å; I13-V94 HydrophobicContact CD1-CB 3.7Å; I13-V94 HydrophobicContact CD1-CG1 3.83Å; I13-V94 HydrophobicContact CD1-CG2 3.88Å
14	P	96.2	Very high	90.8	Very high	51 Å²	51	85.9 Å²	85.9	33%	0.331	49%	0.485	S	S	.	.			trans	-62.3	144.6	176	-23.4	34.2	0	0	0	112.2	H16 K17 E87	P14-H16 VanDerWaalsContact C-N 3.26Å; P14-H16 VanDerWaalsContact CB-CE1 3.41Å; P14-H16 WeakPolarHBondContact CB-CE1 3.47Å; P14-H16 WeakPolarHBondContact CB-ND1 3.41Å; P14-H16 PolarHBondContact O-N 2.88Å; P14-K17 HydrophobicContact CB-CG 4.3Å; P14-K17 HydrophobicContact CG-CG 4.42Å; P14-K17 WeakPolarHBondContact O-CB 3.35Å; P14-K17 PolarHBondContact O-N 3.22Å; P14-E87 VanDerWaalsContact CA-OE1 3.32Å; P14-E87 WeakPolarHBondContact CA-OE1 3.08Å
15	Y	94.8	Very high	91.7	Very high	87 Å²	87	80.9 Å²	80.9	34%	0.341	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-56.6	-40.1	-176.5	177.8	-108.5	0	0	0	112.2	K17 L18 L21 E87 F90	Y15-K17 PolarHBondContact O-N 2.97Å; Y15-L18 WeakPolarHBondContact O-CB 3.37Å; Y15-L18 PolarHBondContact O-N 3.25Å; Y15-L21 HydrophobicContact CE2-CD2 4.2Å; Y15-E87 WeakPolarHBondContact CB-OE2 3.45Å; Y15-E87 PolarHBondContact N-OE1 3.39Å; Y15-F90 HydrophobicContact CD2-CB 4.13Å; Y15-F90 AromaticContact CD2-CD1 3.74Å; Y15-F90 HydrophobicContact CD2-CD1 3.74Å; Y15-F90 AromaticContact CD2-CD2 3.78Å; Y15-F90 HydrophobicContact CD2-CD2 3.78Å; Y15-F90 HydrophobicContact CD2-CE1 4.03Å; Y15-F90 HydrophobicContact CD2-CE2 4.08Å; Y15-F90 AromaticContact CD2-CG 3.6Å; Y15-F90 HydrophobicContact CD2-CG 3.6Å; Y15-F90 HydrophobicContact CD2-CZ 4.19Å; Y15-F90 HydrophobicContact CE2-CD1 4.29Å; Y15-F90 AromaticContact CE2-CD2 3.54Å; Y15-F90 HydrophobicContact CE2-CD2 3.54Å; Y15-F90 HydrophobicContact CE2-CE1 4.36Å; Y15-F90 AromaticContact CE2-CE2 3.63Å; Y15-F90 HydrophobicContact CE2-CE2 3.63Å; Y15-F90 AromaticContact CE2-CG 3.89Å; Y15-F90 HydrophobicContact CE2-CG 3.89Å; Y15-F90 HydrophobicContact CE2-CZ 4.04Å; Y15-F90 HydrophobicContact CG-CG 4.44Å
16	H	94.9	Very high	92.2	Very high	138 Å²	138	83.9 Å²	83.9	64%	0.639	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-64.4	-8.1	177.7	75	-96.7	0	0	0	114.7	P14	P14-H16 VanDerWaalsContact C-N 3.26Å; P14-H16 VanDerWaalsContact CB-CE1 3.41Å; P14-H16 WeakPolarHBondContact CB-CE1 3.47Å; P14-H16 WeakPolarHBondContact CB-ND1 3.41Å; P14-H16 PolarHBondContact O-N 2.88Å
17	K	97.6	Very high	91.7	Very high	50 Å²	50	77.8 Å²	77.8	22%	0.217	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-88.5	-11.3	171.2	-61	-63.1	-170.9	164	0	112.9	I13 P14 Y15 A19 H37 A38 D39	I13-K17 HydrophobicContact CG2-CB 4.24Å; P14-K17 HydrophobicContact CB-CG 4.3Å; P14-K17 HydrophobicContact CG-CG 4.42Å; P14-K17 WeakPolarHBondContact O-CB 3.35Å; P14-K17 PolarHBondContact O-N 3.22Å; Y15-K17 PolarHBondContact O-N 2.97Å; K17-A19 PolarHBondContact O-N 3.17Å; K17-H37 CarbonylContact O-C 3.59Å; K17-H37 WeakPolarHBondContact O-CA 3.36Å; K17-A38 HydrophobicContact CD-CB 4.17Å; K17-A38 PolarHBondContact O-N 3.14Å; K17-D39 VanDerWaalsContact CD-OD2 3.32Å; K17-D39 WeakPolarHBondContact CD-OD2 3.03Å; K17-D39 WeakPolarHBondContact CE-OD2 3.22Å; K17-D39 IonicContact NZ-OD1 2.77Å; K17-D39 PolarHBondContact NZ-OD1 2.98Å; K17-D39 IonicContact NZ-OD2 3.46Å; K17-D39 PolarHBondContact NZ-OD2 3.34Å
18	L	96.6	Very high	91.2	Very high	10 Å²	10	77.6 Å²	77.6	5%	0.052	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	75.9	177.1	-58.7	173.8	0	0	0	109.5	I13 Y15 A35 V44 V46 C85 F90 V94	I13-L18 HydrophobicContact CG2-CD2 4.05Å; I13-L18 HydrophobicContact CG2-CG 4.25Å; Y15-L18 WeakPolarHBondContact O-CB 3.37Å; Y15-L18 PolarHBondContact O-N 3.25Å; L18-A35 HydrophobicContact CB-CB 4.18Å; L18-A35 HydrophobicContact CD2-CB 4.43Å; L18-V44 HydrophobicContact CD2-CG2 4.05Å; L18-V46 HydrophobicContact CD1-CG1 4.24Å; L18-V46 HydrophobicContact CD1-CG2 4.13Å; L18-V46 HydrophobicContact CD2-CG2 4.14Å; L18-C85 HydrophobicContact CD1-CB 4.28Å; L18-F90 HydrophobicContact CD1-CE1 4.42Å; L18-V94 HydrophobicContact CD1-CG2 4.3Å; L18-V94 HydrophobicContact CD2-CG1 4.3Å; L18-V94 HydrophobicContact CD2-CG2 4.22Å
19	A	95.4	Very high	90.3	Very high	38 Å²	38	76.2 Å²	76.2	31%	0.314	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	162.3	175.6	0	0	0	0	0	111.1	K17 L21 A35 R36	K17-A19 PolarHBondContact O-N 3.17Å; A19-L21 VanDerWaalsContact C-N 3.34Å; A19-L21 PolarHBondContact O-N 2.74Å; A19-A35 CarbonylContact O-C 3.41Å; A19-A35 WeakPolarHBondContact O-CA 3.46Å; A19-A35 WeakPolarHBondContact O-CB 3.5Å; A19-R36 PolarHBondContact N-O 3.45Å; A19-R36 PolarHBondContact O-N 2.94Å
20	D	94.3	Very high	89.8	Confident	101 Å²	101	72.6 Å²	72.6	54%	0.54	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.1	45.9	172.5	-48.1	-36.9	0	0	0	113.5	H22	D20-H22 PolarHBondContact O-N 3.14Å; D20-H22 VanDerWaalsContact O-N 3.16Å; D20-H22 PolarHBondContact O-ND1 2.82Å
21	L	94.3	Very high	89.6	Confident	53 Å²	53	71 Å²	71	28%	0.277	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	106.3	-179.1	-169	70.7	0	0	0	111.2	Y15 A19 S34 A35 V46 F90	Y15-L21 HydrophobicContact CE2-CD2 4.2Å; A19-L21 VanDerWaalsContact C-N 3.34Å; A19-L21 PolarHBondContact O-N 2.74Å; L21-S34 CarbonylContact C-O 3.46Å; L21-S34 WeakPolarHBondContact CA-O 3.27Å; L21-A35 HydrophobicContact CD1-CB 3.98Å; L21-V46 HydrophobicContact CD1-CB 4.46Å; L21-V46 HydrophobicContact CD1-CG2 4.32Å; L21-F90 HydrophobicContact CD2-CE2 4.44Å
22	H	95.1	Very high	89.5	Confident	120 Å²	120	70.5 Å²	70.5	56%	0.556	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.2	-179.9	-68.7	72.7	0	0	0	110.8	D20 L24 S33 S34	D20-H22 PolarHBondContact O-N 3.14Å; D20-H22 VanDerWaalsContact O-N 3.16Å; D20-H22 PolarHBondContact O-ND1 2.82Å; H22-L24 PolarHBondContact O-N 3.1Å; H22-S33 CarbonylContact O-C 3.57Å; H22-S33 WeakPolarHBondContact O-CA 3.36Å; H22-S33 VanDerWaalsContact O-CB 3.26Å; H22-S33 WeakPolarHBondContact O-CB 3.33Å; H22-S34 PolarHBondContact N-O 3.36Å; H22-S34 PolarHBondContact O-N 3.37Å
23	Y	94.3	Very high	89.5	Confident	152 Å²	152	65.4 Å²	65.4	60%	0.596	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.9	134.6	174.2	173.2	-91.2	0	0	0	111.8	S25 R26 T31	Y23-S25 WeakPolarHBondContact CE2-O 3.4Å; Y23-R26 HydrophobicContact CE2-CB 4.09Å; Y23-R26 PolarHBondContact OH-N 3.25Å; Y23-T31 HydrophobicContact CD2-CG2 3.77Å; Y23-T31 HydrophobicContact CE2-CG2 3.9Å
24	L	91.6	Very high	89.5	Confident	78 Å²	78	65.9 Å²	65.9	41%	0.408	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-52.2	172.4	-58.6	174.4	0	0	0	111.4	H22 V32 Y97	H22-L24 PolarHBondContact O-N 3.1Å; L24-V32 WeakPolarHBondContact CA-O 3.46Å; L24-V32 WeakPolarHBondContact CB-O 3.46Å; L24-V32 HydrophobicContact CD1-CG1 4.37Å; L24-V32 PolarHBondContact N-O 3.43Å; L24-Y97 HydrophobicContact CD1-CE2 3.97Å
25	S	87.7	Confident	89.6	Confident	57 Å²	57	63.6 Å²	63.6	40%	0.399	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	168.9	-173.7	67.7	0	0	0	0	112.7	Y23 V32	Y23-S25 WeakPolarHBondContact CE2-O 3.4Å; S25-V32 PolarHBondContact N-O 2.96Å; S25-V32 VanDerWaalsContact N-O 3.1Å; S25-V32 PolarHBondContact O-N 2.92Å
26	R	83.3	Confident	89.7	Confident	159 Å²	159	65.6 Å²	65.6	60%	0.6	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142	133.9	173.8	-174.8	174.8	175.2	-134.7	-2.1	109	Y23 G30 H50	Y23-R26 HydrophobicContact CE2-CB 4.09Å; Y23-R26 PolarHBondContact OH-N 3.25Å; R26-G30 WeakPolarHBondContact CA-O 3.12Å; R26-H50 VanDerWaalsContact CZ-CE1 3.43Å; R26-H50 VanDerWaalsContact CZ-NE2 3.32Å; R26-H50 PolarHBondContact NE-CE1 3.01Å; R26-H50 PolarHBondContact NE-NE2 3.39Å; R26-H50 PolarHBondContact NH2-CE1 2.95Å; R26-H50 PolarHBondContact NH2-NE2 3.19Å
27	G	71.9	Confident	89.9	Confident	49 Å²	49	59.2 Å²	59.2	51%	0.505	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	-170.6	176.9	0	0	0	0	0	111.4	S29 G30	G27-S29 PolarHBondContact O-N 3.04Å; G27-G30 PolarHBondContact N-O 3.19Å; G27-G30 PolarHBondContact O-N 3.14Å
28	A	69.3	Low	89.8	Confident	115 Å²	115	58 Å²	58	95%	0.95	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-38	173.8	0	0	0	0	0	111.7	G30	A28-G30 PolarHBondContact O-N 2.74Å; A28-G30 VanDerWaalsContact O-N 3.17Å
29	S	68.6	Low	89.9	Confident	50 Å²	50	61.7 Å²	61.7	35%	0.35	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	10.9	-179.2	-31.2	0	0	0	0	114.7	G27 K47 D164	G27-S29 PolarHBondContact O-N 3.04Å; S29-K47 VanDerWaalsContact CB-CE 3.49Å; S29-K47 VanDerWaalsContact O-CE 3.24Å; S29-K47 WeakPolarHBondContact O-CE 3.32Å; S29-D164 WeakPolarHBondContact CB-OD2 3.48Å; S29-D164 PolarHBondContact OG-OD1 3.11Å; S29-D164 PolarHBondContact OG-OD2 3.41Å
30	G	79.9	Confident	89.9	Confident	7 Å²	7	65.4 Å²	65.4	7%	0.072	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	110.6	-158.6	178.9	0	0	0	0	0	115	R26 G27 A28	R26-G30 WeakPolarHBondContact CA-O 3.12Å; G27-G30 PolarHBondContact N-O 3.19Å; G27-G30 PolarHBondContact O-N 3.14Å; A28-G30 PolarHBondContact O-N 2.74Å; A28-G30 VanDerWaalsContact O-N 3.17Å
31	T	88.1	Confident	90	Very high	8 Å²	8	68.5 Å²	68.5	5%	0.049	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	142.2	179.5	-57.6	0	0	0	0	110	Y23 K47 H48	Y23-T31 HydrophobicContact CD2-CG2 3.77Å; Y23-T31 HydrophobicContact CE2-CG2 3.9Å; T31-K47 CarbonylContact O-C 3.55Å; T31-K47 WeakPolarHBondContact O-CA 3.42Å; T31-H48 WeakPolarHBondContact CG2-NE2 3.43Å; T31-H48 PolarHBondContact N-O 3.48Å; T31-H48 PolarHBondContact O-N 3.11Å
32	V	93.1	Very high	90.1	Very high	41 Å²	41	69.4 Å²	69.4	25%	0.248	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.5	173.5	-169.9	0	0	0	0	109.2	L24 S25 V46 K47	L24-V32 WeakPolarHBondContact CA-O 3.46Å; L24-V32 WeakPolarHBondContact CB-O 3.46Å; L24-V32 HydrophobicContact CD1-CG1 4.37Å; L24-V32 PolarHBondContact N-O 3.43Å; S25-V32 PolarHBondContact N-O 2.96Å; S25-V32 VanDerWaalsContact N-O 3.1Å; S25-V32 PolarHBondContact O-N 2.92Å; V32-V46 WeakPolarHBondContact CA-O 3.22Å; V32-K47 HydrophobicContact CG2-CG 4.36Å
33	S	95.5	Very high	90.2	Very high	4 Å²	4	70.8 Å²	70.8	3%	0.028	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	147.5	178.1	-60.5	0	0	0	0	110.2	H22 A45 V46	H22-S33 CarbonylContact O-C 3.57Å; H22-S33 WeakPolarHBondContact O-CA 3.36Å; H22-S33 VanDerWaalsContact O-CB 3.26Å; H22-S33 WeakPolarHBondContact O-CB 3.33Å; S33-A45 CarbonylContact O-C 3.06Å; S33-A45 WeakPolarHBondContact O-CA 3.46Å; S33-V46 PolarHBondContact N-O 3.3Å; S33-V46 PolarHBondContact O-N 2.76Å
34	S	97.3	Very high	90.4	Very high	16 Å²	16	63.5 Å²	63.5	11%	0.112	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	150.1	162.7	45.2	0	0	0	0	109.8	L21 H22 V44	L21-S34 CarbonylContact C-O 3.46Å; L21-S34 WeakPolarHBondContact CA-O 3.27Å; H22-S34 PolarHBondContact N-O 3.36Å; H22-S34 PolarHBondContact O-N 3.37Å; S34-V44 WeakPolarHBondContact CA-O 3.35Å
35	A	97.4	Very high	90.7	Very high	3 Å²	3	60.4 Å²	60.4	3%	0.025	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	172.4	170.7	0	0	0	0	0	110	L18 A19 L21 R43 V44 V46	L18-A35 HydrophobicContact CB-CB 4.18Å; L18-A35 HydrophobicContact CD2-CB 4.43Å; A19-A35 CarbonylContact O-C 3.41Å; A19-A35 WeakPolarHBondContact O-CA 3.46Å; A19-A35 WeakPolarHBondContact O-CB 3.5Å; L21-A35 HydrophobicContact CD1-CB 3.98Å; A35-R43 CarbonylContact O-C 3.52Å; A35-R43 WeakPolarHBondContact O-CA 3.31Å; A35-R43 WeakPolarHBondContact O-CG 3.31Å; A35-V44 HydrophobicContact CB-CG2 3.86Å; A35-V44 PolarHBondContact N-O 2.98Å; A35-V44 PolarHBondContact O-N 3.42Å; A35-V46 HydrophobicContact CB-CG2 4.03Å
36	R	97.8	Very high	91.1	Very high	128 Å²	128	57.7 Å²	57.7	48%	0.483	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.2	166.8	-166.3	176.2	-167.4	169.7	6.5	109.3	A19 A38 R41 V42	A19-R36 PolarHBondContact N-O 3.45Å; A19-R36 PolarHBondContact O-N 2.94Å; R36-A38 PolarHBondContact O-N 2.86Å; R36-R41 PolarHBondContact NE-O 3.07Å; R36-R41 PolarHBondContact NH2-O 3.39Å; R36-V42 WeakPolarHBondContact CA-O 3.41Å; R36-V42 WeakPolarHBondContact CG-O 3.31Å
37	H	98	Very high	91.5	Very high	5 Å²	5	51.7 Å²	51.7	2%	0.023	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	120.4	176.7	-170.8	-63.7	0	0	0	109.6	K17 D39 W40 R41 V42 V44	K17-H37 CarbonylContact O-C 3.59Å; K17-H37 WeakPolarHBondContact O-CA 3.36Å; H37-D39 IonicContact CE1-OD2 3.53Å; H37-D39 PolarHBondContact ND1-N 3.37Å; H37-D39 PolarHBondContact O-N 3.21Å; H37-W40 HydrophobicContact CB-CB 4.21Å; H37-W40 HydrophobicContact CB-CD2 4.26Å; H37-W40 HydrophobicContact CB-CE3 3.85Å; H37-W40 HydrophobicContact CB-CG 4.44Å; H37-W40 AromaticContact CD2-CD2 3.67Å; H37-W40 AromaticContact CD2-CE3 3.4Å; H37-W40 AromaticContact CD2-CZ3 3.58Å; H37-W40 AromaticContact CE1-CD2 3.8Å; H37-W40 AromaticContact CE1-CE2 3.85Å; H37-W40 AromaticContact CE1-CG 3.96Å; H37-W40 AromaticContact CE1-NE1 3.96Å; H37-W40 AromaticContact CG-CD2 3.59Å; H37-W40 AromaticContact CG-CE3 3.47Å; H37-W40 VanDerWaalsContact CG-CE3 3.47Å; H37-W40 AromaticContact CG-CG 3.89Å; H37-W40 AromaticContact ND1-CD2 3.67Å; H37-W40 AromaticContact ND1-CG 3.59Å; H37-W40 PolarHBondContact ND1-N 3.12Å; H37-W40 AromaticContact NE2-CD2 3.82Å; H37-W40 AromaticContact NE2-CE2 3.77Å; H37-W40 AromaticContact NE2-CE3 3.98Å; H37-W40 AromaticContact NE2-CZ2 3.94Å; H37-R41 WeakPolarHBondContact O-CA 3.49Å; H37-R41 PolarHBondContact O-N 3.48Å; H37-V42 PolarHBondContact N-O 3.2Å; H37-V44 HydrophobicContact CB-CG1 4.24Å
38	A	97.1	Very high	92.3	Very high	23 Å²	23	50.1 Å²	50.1	19%	0.19	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-43.2	-170.1	0	0	0	0	0	113.2	K17 R36 R41	K17-A38 HydrophobicContact CD-CB 4.17Å; K17-A38 PolarHBondContact O-N 3.14Å; R36-A38 PolarHBondContact O-N 2.86Å; A38-R41 VanDerWaalsContact O-CD 3.26Å; A38-R41 WeakPolarHBondContact O-CD 3.44Å; A38-R41 PolarHBondContact O-NE 2.87Å; A38-R41 PolarHBondContact O-NH1 3.03Å; A38-R41 VanDerWaalsContact O-NH1 3.14Å
39	D	97.2	Very high	92.7	Very high	89 Å²	89	46.2 Å²	46.2	48%	0.476	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-52.9	-179.2	-52.1	-38.5	0	0	0	112.6	K17 H37 R41	K17-D39 VanDerWaalsContact CD-OD2 3.32Å; K17-D39 WeakPolarHBondContact CD-OD2 3.03Å; K17-D39 WeakPolarHBondContact CE-OD2 3.22Å; K17-D39 IonicContact NZ-OD1 2.77Å; K17-D39 PolarHBondContact NZ-OD1 2.98Å; K17-D39 IonicContact NZ-OD2 3.46Å; K17-D39 PolarHBondContact NZ-OD2 3.34Å; H37-D39 IonicContact CE1-OD2 3.53Å; H37-D39 PolarHBondContact ND1-N 3.37Å; H37-D39 PolarHBondContact O-N 3.21Å; D39-R41 PolarHBondContact O-N 2.99Å
40	W	96.9	Very high	92.6	Very high	116 Å²	116	47.3 Å²	47.3	44%	0.439	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-15.4	-178.4	-50.1	-24.7	0	0	0	114.7	I13 H37 V42 L82	I13-W40 HydrophobicContact CD1-CH2 3.61Å; I13-W40 HydrophobicContact CD1-CZ3 3.96Å; I13-W40 HydrophobicContact CG1-CH2 4.08Å; H37-W40 HydrophobicContact CB-CB 4.21Å; H37-W40 HydrophobicContact CB-CD2 4.26Å; H37-W40 HydrophobicContact CB-CE3 3.85Å; H37-W40 HydrophobicContact CB-CG 4.44Å; H37-W40 AromaticContact CD2-CD2 3.67Å; H37-W40 AromaticContact CD2-CE3 3.4Å; H37-W40 AromaticContact CD2-CZ3 3.58Å; H37-W40 AromaticContact CE1-CD2 3.8Å; H37-W40 AromaticContact CE1-CE2 3.85Å; H37-W40 AromaticContact CE1-CG 3.96Å; H37-W40 AromaticContact CE1-NE1 3.96Å; H37-W40 AromaticContact CG-CD2 3.59Å; H37-W40 AromaticContact CG-CE3 3.47Å; H37-W40 VanDerWaalsContact CG-CE3 3.47Å; H37-W40 AromaticContact CG-CG 3.89Å; H37-W40 AromaticContact ND1-CD2 3.67Å; H37-W40 AromaticContact ND1-CG 3.59Å; H37-W40 PolarHBondContact ND1-N 3.12Å; H37-W40 AromaticContact NE2-CD2 3.82Å; H37-W40 AromaticContact NE2-CE2 3.77Å; H37-W40 AromaticContact NE2-CE3 3.98Å; H37-W40 AromaticContact NE2-CZ2 3.94Å; W40-V42 HydrophobicContact CB-CG2 4.01Å; W40-V42 HydrophobicContact CE3-CG2 4.39Å; W40-V42 PolarHBondContact O-N 2.77Å; W40-L82 HydrophobicContact CH2-CB 4.19Å; W40-L82 HydrophobicContact CZ3-CB 3.83Å; W40-L82 HydrophobicContact CZ3-CD1 4.2Å
41	R	95.6	Very high	91.7	Very high	165 Å²	165	50 Å²	50	62%	0.623	23%	0.231	S	C	*	.			trans	60.4	-2.7	-179	-53.5	-58.3	179.4	178.3	-3.5	116.9	R36 H37 A38 D39	R36-R41 PolarHBondContact NE-O 3.07Å; R36-R41 PolarHBondContact NH2-O 3.39Å; H37-R41 WeakPolarHBondContact O-CA 3.49Å; H37-R41 PolarHBondContact O-N 3.48Å; A38-R41 VanDerWaalsContact O-CD 3.26Å; A38-R41 WeakPolarHBondContact O-CD 3.44Å; A38-R41 PolarHBondContact O-NE 2.87Å; A38-R41 PolarHBondContact O-NH1 3.03Å; A38-R41 VanDerWaalsContact O-NH1 3.14Å; D39-R41 PolarHBondContact O-N 2.99Å
42	V	96	Very high	90.4	Very high	73 Å²	73	58 Å²	58	44%	0.442	27%	0.268	S	S	.	.			trans	-75.3	157.5	173.2	-61.5	0	0	0	0	112.7	R36 H37 W40 V44	R36-V42 WeakPolarHBondContact CA-O 3.41Å; R36-V42 WeakPolarHBondContact CG-O 3.31Å; H37-V42 PolarHBondContact N-O 3.2Å; W40-V42 HydrophobicContact CB-CG2 4.01Å; W40-V42 HydrophobicContact CE3-CG2 4.39Å; W40-V42 PolarHBondContact O-N 2.77Å; V42-V44 HydrophobicContact CG2-CG1 4.13Å
43	R	97.4	Very high	88.9	Confident	148 Å²	148	59.8 Å²	59.8	56%	0.558	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	137.1	167.7	-168	-172.5	-68.8	-179.9	4.7	109.2	A35 Y97	A35-R43 CarbonylContact O-C 3.52Å; A35-R43 WeakPolarHBondContact O-CA 3.31Å; A35-R43 WeakPolarHBondContact O-CG 3.31Å; R43-Y97 VanDerWaalsContact CD-CG 3.5Å; R43-Y97 HydrophobicContact CG-CD1 4.16Å; R43-Y97 HydrophobicContact CG-CD2 4.25Å; R43-Y97 HydrophobicContact CG-CG 3.87Å; R43-Y97 VanDerWaalsContact NH1-CE1 3.31Å
44	V	98.2	Very high	87.5	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	159.2	179.4	-59.1	0	0	0	0	110.1	L18 S34 A35 H37 V42 V46 L82 V94 T95	L18-V44 HydrophobicContact CD2-CG2 4.05Å; S34-V44 WeakPolarHBondContact CA-O 3.35Å; A35-V44 HydrophobicContact CB-CG2 3.86Å; A35-V44 PolarHBondContact N-O 2.98Å; A35-V44 PolarHBondContact O-N 3.42Å; H37-V44 HydrophobicContact CB-CG1 4.24Å; V42-V44 HydrophobicContact CG2-CG1 4.13Å; V44-V46 HydrophobicContact CG2-CG2 4.17Å; V44-L82 HydrophobicContact CG1-CD1 3.75Å; V44-V94 HydrophobicContact CB-CG1 3.8Å; V44-V94 HydrophobicContact CG1-CG1 4.12Å; V44-V94 HydrophobicContact CG2-CG1 3.85Å; V44-T95 WeakPolarHBondContact CA-O 3.46Å; V44-T95 WeakPolarHBondContact CB-O 3.41Å
45	A	97.9	Very high	86.1	Confident	13 Å²	13	66 Å²	66	11%	0.107	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	145.4	163.9	0	0	0	0	0	109.2	S33 V94 T95 Y97	S33-A45 CarbonylContact O-C 3.06Å; S33-A45 WeakPolarHBondContact O-CA 3.46Å; A45-V94 WeakPolarHBondContact O-CA 3.29Å; A45-T95 PolarHBondContact N-O 3.25Å; A45-T95 PolarHBondContact O-N 2.88Å; A45-Y97 HydrophobicContact CB-CD2 4.45Å
46	V	95.9	Very high	85	Confident	0 Å²	0	71 Å²	71	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	111.9	-178	-169.6	0	0	0	0	108.2	L18 L21 V32 S33 A35 V44 H48 F90 I93 V94	L18-V46 HydrophobicContact CD1-CG1 4.24Å; L18-V46 HydrophobicContact CD1-CG2 4.13Å; L18-V46 HydrophobicContact CD2-CG2 4.14Å; L21-V46 HydrophobicContact CD1-CB 4.46Å; L21-V46 HydrophobicContact CD1-CG2 4.32Å; V32-V46 WeakPolarHBondContact CA-O 3.22Å; S33-V46 PolarHBondContact N-O 3.3Å; S33-V46 PolarHBondContact O-N 2.76Å; A35-V46 HydrophobicContact CB-CG2 4.03Å; V44-V46 HydrophobicContact CG2-CG2 4.17Å; V46-H48 HydrophobicContact CG1-CB 4.4Å; V46-H48 PolarHBondContact O-CD2 2.97Å; V46-F90 HydrophobicContact CG1-CE1 4.04Å; V46-F90 HydrophobicContact CG1-CZ 3.93Å; V46-I93 CarbonylContact C-O 3.59Å; V46-I93 WeakPolarHBondContact CA-O 3.18Å; V46-V94 HydrophobicContact CG1-CG2 4.45Å; V46-V94 HydrophobicContact CG2-CG2 4.48Å
47	K	92.9	Very high	84.2	Confident	32 Å²	32	70.7 Å²	70.7	14%	0.139	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	110.9	172.4	-173.8	-168	-168.4	-169.9	0	108.1	S29 T31 V32 E66 G92 I93 D164	S29-K47 VanDerWaalsContact CB-CE 3.49Å; S29-K47 VanDerWaalsContact O-CE 3.24Å; S29-K47 WeakPolarHBondContact O-CE 3.32Å; T31-K47 CarbonylContact O-C 3.55Å; T31-K47 WeakPolarHBondContact O-CA 3.42Å; V32-K47 HydrophobicContact CG2-CG 4.36Å; K47-E66 IonicContact NZ-OE1 3.89Å; K47-E66 PolarHBondContact NZ-OE1 2.66Å; K47-E66 IonicContact NZ-OE2 2.74Å; K47-E66 PolarHBondContact NZ-OE2 3.19Å; K47-G92 CarbonylContact O-C 3.56Å; K47-G92 WeakPolarHBondContact O-CA 3.45Å; K47-I93 HydrophobicContact CB-CB 4.41Å; K47-I93 PolarHBondContact N-O 2.88Å; K47-I93 PolarHBondContact O-N 3.48Å; K47-D164 IonicContact NZ-OD1 3.77Å; K47-D164 PolarHBondContact NZ-OD1 3.06Å
48	H	88.1	Confident	83.3	Confident	16 Å²	16	73.8 Å²	73.8	7%	0.074	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	157.6	-172	63.3	88.7	0	0	0	112.6	T31 V46 F90 L91	T31-H48 WeakPolarHBondContact CG2-NE2 3.43Å; T31-H48 PolarHBondContact N-O 3.48Å; T31-H48 PolarHBondContact O-N 3.11Å; V46-H48 HydrophobicContact CG1-CB 4.4Å; V46-H48 PolarHBondContact O-CD2 2.97Å; H48-F90 HydrophobicContact CB-CE1 4.01Å; H48-F90 HydrophobicContact CB-CE2 4.01Å; H48-F90 HydrophobicContact CB-CZ 3.53Å; H48-F90 AromaticContact CD2-CZ 3.84Å; H48-F90 AromaticContact CG-CE2 3.78Å; H48-F90 AromaticContact CG-CZ 3.57Å; H48-F90 AromaticContact ND1-CE2 3.85Å; H48-L91 WeakPolarHBondContact CA-O 3.21Å; H48-L91 WeakPolarHBondContact CB-O 3.47Å
49	L	77.3	Confident	82.5	Confident	34 Å²	34	76.1 Å²	76.1	18%	0.178	38%	0.38	C	S	.	.			trans	-84.5	-177.9	170.5	-80.2	169.5	0	0	0	111.9	I51 L55 E59 I63 L91	L49-I51 PolarHBondContact O-N 2.86Å; L49-L55 HydrophobicContact CB-CD2 3.55Å; L49-L55 HydrophobicContact CD1-CD2 4Å; L49-L55 HydrophobicContact CG-CD2 4.42Å; L49-E59 HydrophobicContact CD1-CB 3.75Å; L49-I63 HydrophobicContact CB-CD1 4.39Å; L49-I63 HydrophobicContact CD1-CD1 3.64Å; L49-I63 HydrophobicContact CD1-CG1 4.44Å; L49-I63 HydrophobicContact CG-CD1 3.73Å; L49-L91 PolarHBondContact N-O 2.99Å
50	H	66.6	Low	81.8	Confident	72 Å²	72	74.2 Å²	74.2	33%	0.333	37%	0.366	S	S	.	.			trans	-68	119.7	-173.4	-83.9	-88.7	0	0	0	112.5	R26 H52 T53	R26-H50 VanDerWaalsContact CZ-CE1 3.43Å; R26-H50 VanDerWaalsContact CZ-NE2 3.32Å; R26-H50 PolarHBondContact NE-CE1 3.01Å; R26-H50 PolarHBondContact NE-NE2 3.39Å; R26-H50 PolarHBondContact NH2-CE1 2.95Å; R26-H50 PolarHBondContact NH2-NE2 3.19Å; H50-H52 PolarHBondContact O-N 2.89Å; H50-T53 WeakPolarHBondContact CB-OG1 3.47Å; H50-T53 PolarHBondContact O-N 3.34Å
51	I	62	Low	81.3	Confident	63 Å²	63	73.4 Å²	73.4	32%	0.323	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-5.1	-179.7	-44.7	178.8	0	0	0	112.5	L49 F90	L49-I51 PolarHBondContact O-N 2.86Å; I51-F90 HydrophobicContact CD1-CD2 4.13Å; I51-F90 HydrophobicContact CD1-CE2 3.91Å; I51-F90 HydrophobicContact CG1-CD2 4.01Å; I51-F90 HydrophobicContact CG1-CE2 4.09Å
52	H	59.3	Low	80.8	Confident	177 Å²	177	70 Å²	70	82%	0.819	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.6	15.2	-170.3	-55.4	-31.2	0	0	0	113.9	H50	H50-H52 PolarHBondContact O-N 2.89Å
53	T	61.7	Low	80.3	Confident	79 Å²	79	67.2 Å²	67.2	49%	0.485	35%	0.347	S	S	.	.	S	Bend	trans	-131.8	134.1	173.9	48.4	0	0	0	0	109.5	H50 L55	H50-T53 WeakPolarHBondContact CB-OG1 3.47Å; H50-T53 PolarHBondContact O-N 3.34Å; T53-L55 PolarHBondContact O-N 3.16Å; T53-L55 VanDerWaalsContact O-N 3.1Å
54	P	66.9	Low	80	Confident	127 Å²	127	63.1 Å²	63.1	83%	0.825	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-57.4	117.1	173.7	-23	33.7	0	0	0	110.5	L56	P54-L56 PolarHBondContact O-N 3.09Å
55	L	67	Low	79.6	Confident	24 Å²	24	68 Å²	68	13%	0.126	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-66.3	127.4	-179.4	-59.9	176	0	0	0	110	L49 T53 L91	L49-L55 HydrophobicContact CB-CD2 3.55Å; L49-L55 HydrophobicContact CD1-CD2 4Å; L49-L55 HydrophobicContact CG-CD2 4.42Å; T53-L55 PolarHBondContact O-N 3.16Å; T53-L55 VanDerWaalsContact O-N 3.1Å; L55-L91 HydrophobicContact CD1-CB 3.65Å; L55-L91 HydrophobicContact CD1-CD2 4.32Å
56	L	75.2	Confident	79.3	Confident	107 Å²	107	67.9 Å²	67.9	56%	0.56	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-70.5	146.8	172.2	-61.3	172.1	0	0	0	109.9	P54 S58 E59 R60	P54-L56 PolarHBondContact O-N 3.09Å; L56-S58 PolarHBondContact O-N 2.76Å; L56-S58 VanDerWaalsContact O-N 3.15Å; L56-E59 HydrophobicContact CB-CG 4.07Å; L56-E59 WeakPolarHBondContact CB-OE2 3.3Å; L56-E59 PolarHBondContact N-OE2 2.7Å; L56-E59 PolarHBondContact O-N 3.12Å; L56-R60 PolarHBondContact O-N 3.34Å
57	D	80.4	Confident	79.1	Confident	122 Å²	122	68 Å²	68	65%	0.652	35%	0.352	S	S	*	.	H	α-helix	trans	-59.1	-29.8	178.7	-72.1	-43.8	0	0	0	112.5	N61	D57-N61 WeakPolarHBondContact O-CB 3.34Å; D57-N61 PolarHBondContact O-N 2.81Å; D57-N61 PolarHBondContact O-ND2 3.32Å
58	S	80.5	Confident	79.1	Confident	70 Å²	70	70.9 Å²	70.9	49%	0.49	37%	0.366	S	S	.	.	H	α-helix	trans	-61.3	-51.8	171.7	47.8	0	0	0	0	112	L56 R60 N61 D62	L56-S58 PolarHBondContact O-N 2.76Å; L56-S58 VanDerWaalsContact O-N 3.15Å; S58-R60 VanDerWaalsContact C-N 3.31Å; S58-R60 PolarHBondContact O-N 3.2Å; S58-N61 PolarHBondContact O-N 3.43Å; S58-N61 VanDerWaalsContact O-N 3.11Å; S58-D62 PolarHBondContact O-N 3.08Å
59	E	78.6	Confident	79.4	Confident	72 Å²	72	70.1 Å²	70.1	34%	0.336	36%	0.363	S	S	.	.	H	α-helix	trans	-63.1	-38.3	-178.9	-59.7	172.5	128.1	0	0	111.5	L49 L56 D62 I63	L49-E59 HydrophobicContact CD1-CB 3.75Å; L56-E59 HydrophobicContact CB-CG 4.07Å; L56-E59 WeakPolarHBondContact CB-OE2 3.3Å; L56-E59 PolarHBondContact N-OE2 2.7Å; L56-E59 PolarHBondContact O-N 3.12Å; E59-D62 PolarHBondContact O-N 3.48Å; E59-I63 PolarHBondContact O-N 3.44Å
60	R	84.5	Confident	80.2	Confident	48 Å²	48	68.8 Å²	68.8	18%	0.181	36%	0.356	C	S	.	.	H	α-helix	trans	-64.6	-41.6	173.9	171.4	168.4	-86.3	116.3	-7.4	111.7	L56 S58 L64 E87 P88 L91	L56-R60 PolarHBondContact O-N 3.34Å; S58-R60 VanDerWaalsContact C-N 3.31Å; S58-R60 PolarHBondContact O-N 3.2Å; R60-L64 HydrophobicContact CG-CD1 3.9Å; R60-L64 WeakPolarHBondContact O-CB 3.45Å; R60-L64 WeakPolarHBondContact O-CD1 3.36Å; R60-L64 VanDerWaalsContact O-CG 3.22Å; R60-L64 WeakPolarHBondContact O-CG 3.41Å; R60-L64 PolarHBondContact O-N 2.93Å; R60-L64 VanDerWaalsContact O-N 3.12Å; R60-E87 PolarHBondContact NH2-O 3.46Å; R60-P88 PolarHBondContact NH2-O 3.5Å; R60-L91 VanDerWaalsContact CA-CD2 3.48Å; R60-L91 HydrophobicContact CB-CD2 3.76Å; R60-L91 HydrophobicContact CG-CD2 3.71Å
61	N	86	Confident	81.5	Confident	99 Å²	99	66.7 Å²	66.7	53%	0.529	35%	0.346	S	S	.	.	H	α-helix	trans	-66.4	-36.8	175.9	-81.1	-62.8	0	0	0	112.8	D57 S58 L64 R65	D57-N61 WeakPolarHBondContact O-CB 3.34Å; D57-N61 PolarHBondContact O-N 2.81Å; D57-N61 PolarHBondContact O-ND2 3.32Å; S58-N61 PolarHBondContact O-N 3.43Å; S58-N61 VanDerWaalsContact O-N 3.11Å; N61-L64 PolarHBondContact O-N 3.2Å; N61-R65 VanDerWaalsContact O-CB 3.3Å; N61-R65 WeakPolarHBondContact O-CB 3.32Å; N61-R65 PolarHBondContact O-N 3.15Å
62	D	84.5	Confident	83.1	Confident	95 Å²	95	68.2 Å²	68.2	51%	0.508	35%	0.351	S	S	.	.	H	α-helix	trans	-68.1	-39.9	179.2	-73	-39.2	0	0	0	112.3	S58 E59 R65 E66	S58-D62 PolarHBondContact O-N 3.08Å; E59-D62 PolarHBondContact O-N 3.48Å; D62-R65 PolarHBondContact O-N 2.75Å; D62-E66 PolarHBondContact O-N 2.64Å
63	I	85.6	Confident	84.8	Confident	14 Å²	14	59.8 Å²	59.8	7%	0.072	31%	0.311	C	S	.	.	H	α-helix	trans	-63.9	-45.7	170.5	-74.7	179	0	0	0	111.8	L49 E59 R65 E66 A67 I84 L91 I93	L49-I63 HydrophobicContact CB-CD1 4.39Å; L49-I63 HydrophobicContact CD1-CD1 3.64Å; L49-I63 HydrophobicContact CD1-CG1 4.44Å; L49-I63 HydrophobicContact CG-CD1 3.73Å; E59-I63 PolarHBondContact O-N 3.44Å; I63-R65 PolarHBondContact O-N 2.94Å; I63-E66 PolarHBondContact O-N 2.86Å; I63-A67 WeakPolarHBondContact O-CB 3.4Å; I63-A67 PolarHBondContact O-N 3.36Å; I63-I84 HydrophobicContact CG2-CD1 4.47Å; I63-L91 HydrophobicContact CB-CD2 3.94Å; I63-L91 HydrophobicContact CB-CG 4.26Å; I63-L91 HydrophobicContact CD1-CD2 4.03Å; I63-L91 HydrophobicContact CD1-CG 4.1Å; I63-L91 HydrophobicContact CG1-CD2 4.5Å; I63-L91 HydrophobicContact CG2-CD1 4.15Å; I63-L91 HydrophobicContact CG2-CD2 4.09Å; I63-L91 HydrophobicContact CG2-CG 3.87Å; I63-I93 HydrophobicContact CG2-CD1 4.26Å; I63-I93 HydrophobicContact CG2-CG1 3.78Å
64	L	90.1	Very high	86.4	Confident	61 Å²	61	60.8 Å²	60.8	32%	0.319	31%	0.307	S	S	.	.	H	α-helix	trans	-59	-37.5	179.3	-73.8	166.1	0	0	0	111.1	R60 N61 E68 I84	R60-L64 HydrophobicContact CG-CD1 3.9Å; R60-L64 WeakPolarHBondContact O-CB 3.45Å; R60-L64 WeakPolarHBondContact O-CD1 3.36Å; R60-L64 VanDerWaalsContact O-CG 3.22Å; R60-L64 WeakPolarHBondContact O-CG 3.41Å; R60-L64 PolarHBondContact O-N 2.93Å; R60-L64 VanDerWaalsContact O-N 3.12Å; N61-L64 PolarHBondContact O-N 3.2Å; L64-E68 WeakPolarHBondContact O-CB 3.09Å; L64-E68 PolarHBondContact O-N 2.83Å; L64-I84 HydrophobicContact CD2-CD1 3.68Å
65	R	90.1	Very high	87.9	Confident	102 Å²	102	58 Å²	58	39%	0.385	28%	0.281	S	S	.	.	H	α-helix	trans	-68.1	-44.5	174.2	174.2	-179.5	166.2	179.4	-6.3	112.9	N61 D62 I63 A67 E68 I69 S168	N61-R65 VanDerWaalsContact O-CB 3.3Å; N61-R65 WeakPolarHBondContact O-CB 3.32Å; N61-R65 PolarHBondContact O-N 3.15Å; D62-R65 PolarHBondContact O-N 2.75Å; I63-R65 PolarHBondContact O-N 2.94Å; R65-A67 VanDerWaalsContact C-N 3.33Å; R65-E68 PolarHBondContact O-N 3.1Å; R65-I69 HydrophobicContact CG-CD1 4Å; R65-I69 VanDerWaalsContact O-CG1 3.29Å; R65-I69 WeakPolarHBondContact O-CG1 3.29Å; R65-I69 PolarHBondContact O-N 3.13Å; R65-S168 PolarHBondContact NH2-O 3.41Å
66	E	91.3	Very high	89.4	Confident	12 Å²	12	60.3 Å²	60.3	6%	0.056	30%	0.299	C	S	.	.	H	α-helix	trans	-62.4	-42.4	175.9	-174.2	-175.8	173.7	0	0	111.1	K47 D62 I63 E68 I69 L70 I93 F165	K47-E66 IonicContact NZ-OE1 3.89Å; K47-E66 PolarHBondContact NZ-OE1 2.66Å; K47-E66 IonicContact NZ-OE2 2.74Å; K47-E66 PolarHBondContact NZ-OE2 3.19Å; D62-E66 PolarHBondContact O-N 2.64Å; I63-E66 PolarHBondContact O-N 2.86Å; E66-E68 VanDerWaalsContact C-N 3.34Å; E66-E68 PolarHBondContact O-N 3.03Å; E66-I69 PolarHBondContact O-N 3.22Å; E66-L70 HydrophobicContact CG-CD1 4.31Å; E66-L70 PolarHBondContact O-N 3.49Å; E66-I93 HydrophobicContact CB-CD1 3.87Å; E66-I93 HydrophobicContact CG-CD1 3.8Å; E66-F165 HydrophobicContact CG-CB 3.93Å; E66-F165 PolarHBondContact OE1-N 3.38Å; E66-F165 VanDerWaalsContact OE1-N 3.13Å
67	A	93	Very high	90.5	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-40.6	175	0	0	0	0	0	112.1	L10 I63 R65 H71 I81 I84 I93	L10-A67 HydrophobicContact CD2-CB 4.04Å; I63-A67 WeakPolarHBondContact O-CB 3.4Å; I63-A67 PolarHBondContact O-N 3.36Å; R65-A67 VanDerWaalsContact C-N 3.33Å; A67-H71 WeakPolarHBondContact O-CB 3.47Å; A67-H71 PolarHBondContact O-N 3.12Å; A67-I81 HydrophobicContact CB-CD1 3.83Å; A67-I84 HydrophobicContact CB-CD1 3.98Å; A67-I93 HydrophobicContact CB-CD1 4.24Å; A67-I93 HydrophobicContact CB-CG1 4.23Å
68	E	93.1	Very high	91.4	Very high	93 Å²	93	51.8 Å²	51.8	44%	0.435	25%	0.251	S	S	.	.	H	α-helix	trans	-64.6	-39.7	174.3	-159.9	-156.3	-156.6	0	0	112.1	L64 R65 E66 H71 K72	L64-E68 WeakPolarHBondContact O-CB 3.09Å; L64-E68 PolarHBondContact O-N 2.83Å; R65-E68 PolarHBondContact O-N 3.1Å; E66-E68 VanDerWaalsContact C-N 3.34Å; E66-E68 PolarHBondContact O-N 3.03Å; E68-H71 PolarHBondContact O-N 2.84Å; E68-K72 HydrophobicContact CG-CD 4.34Å; E68-K72 WeakPolarHBondContact O-CG 3.24Å; E68-K72 PolarHBondContact O-N 2.86Å; E68-K72 WeakPolarHBondContact OE1-CE 3.4Å; E68-K72 IonicContact OE1-NZ 3.51Å; E68-K72 PolarHBondContact OE1-NZ 3.47Å; E68-K72 IonicContact OE2-NZ 3.52Å; E68-K72 PolarHBondContact OE2-NZ 2.69Å
69	I	92.9	Very high	92.2	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-53	176.6	-72.8	167.4	0	0	0	110.3	R65 E66 H71 K72 A73 L142 F165 W170	R65-I69 HydrophobicContact CG-CD1 4Å; R65-I69 VanDerWaalsContact O-CG1 3.29Å; R65-I69 WeakPolarHBondContact O-CG1 3.29Å; R65-I69 PolarHBondContact O-N 3.13Å; E66-I69 PolarHBondContact O-N 3.22Å; I69-H71 VanDerWaalsContact C-N 3.27Å; I69-H71 PolarHBondContact O-N 3Å; I69-K72 PolarHBondContact O-N 3.39Å; I69-A73 VanDerWaalsContact O-CB 3.25Å; I69-A73 WeakPolarHBondContact O-CB 3.34Å; I69-A73 PolarHBondContact O-N 3.13Å; I69-L142 HydrophobicContact CG2-CD1 4.08Å; I69-L142 HydrophobicContact CG2-CD2 3.63Å; I69-L142 HydrophobicContact CG2-CG 4.48Å; I69-F165 HydrophobicContact CG2-CB 3.87Å; I69-F165 HydrophobicContact CG2-CD1 3.6Å; I69-F165 HydrophobicContact CG2-CE1 4.47Å; I69-F165 HydrophobicContact CG2-CG 3.98Å; I69-W170 HydrophobicContact CG1-CZ2 4.23Å
70	L	94.2	Very high	93.1	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-57.7	-38.8	175.7	-79.4	166.5	0	0	0	112.3	E66 K72 A73 I78 I81 I93 F165	E66-L70 HydrophobicContact CG-CD1 4.31Å; E66-L70 PolarHBondContact O-N 3.49Å; L70-K72 VanDerWaalsContact C-N 3.34Å; L70-K72 PolarHBondContact O-N 3.01Å; L70-A73 PolarHBondContact O-N 3.29Å; L70-I78 HydrophobicContact CD2-CG2 4.42Å; L70-I81 HydrophobicContact CB-CB 3.99Å; L70-I81 HydrophobicContact CB-CD1 4.27Å; L70-I81 HydrophobicContact CB-CG2 3.82Å; L70-I93 HydrophobicContact CD1-CD1 4.42Å; L70-I93 HydrophobicContact CD1-CG2 4.1Å; L70-F165 HydrophobicContact CD2-CD2 3.43Å; L70-F165 VanDerWaalsContact CD2-CD2 3.43Å; L70-F165 HydrophobicContact CD2-CE2 3.6Å; L70-F165 HydrophobicContact CD2-CG 4.3Å; L70-F165 HydrophobicContact CG-CD2 3.97Å; L70-F165 HydrophobicContact CG-CG 4.44Å
71	H	95.3	Very high	93.7	Very high	29 Å²	29	45 Å²	45	13%	0.134	22%	0.217	C	C	.	.	H	α-helix	trans	-67.9	-33.8	-179.9	-178.2	83.8	0	0	0	112.2	S8 A9 L10 A67 E68 I69 R74 I81	S8-H71 PolarHBondContact O-CE1 2.71Å; S8-H71 PolarHBondContact O-NE2 2.77Å; A9-H71 PolarHBondContact O-CE1 2.97Å; L10-H71 VanDerWaalsContact CA-CE1 3.5Å; L10-H71 WeakPolarHBondContact CA-CE1 3.48Å; L10-H71 HydrophobicContact CD1-CB 4.32Å; L10-H71 WeakPolarHBondContact CD1-ND1 3.33Å; L10-H71 PolarHBondContact N-CE1 2.67Å; L10-H71 VanDerWaalsContact N-CE1 3.28Å; A67-H71 WeakPolarHBondContact O-CB 3.47Å; A67-H71 PolarHBondContact O-N 3.12Å; E68-H71 PolarHBondContact O-N 2.84Å; I69-H71 VanDerWaalsContact C-N 3.27Å; I69-H71 PolarHBondContact O-N 3Å; H71-R74 PolarHBondContact CE1-NH1 3.02Å; H71-R74 PolarHBondContact ND1-NH1 3.36Å; H71-R74 PolarHBondContact ND1-NH2 3.47Å; H71-R74 PolarHBondContact O-NH1 3.42Å; H71-I81 HydrophobicContact CB-CG2 4.07Å
72	K	94.4	Very high	94.3	Very high	94 Å²	94	42.4 Å²	42.4	41%	0.409	20%	0.203	S	C	.	.	H	α-helix	trans	-80.4	-32.4	174.8	-71	170.9	-176.8	169.8	0	112.9	E68 I69 L70 R74 M138 W170	E68-K72 HydrophobicContact CG-CD 4.34Å; E68-K72 WeakPolarHBondContact O-CG 3.24Å; E68-K72 PolarHBondContact O-N 2.86Å; E68-K72 WeakPolarHBondContact OE1-CE 3.4Å; E68-K72 IonicContact OE1-NZ 3.51Å; E68-K72 PolarHBondContact OE1-NZ 3.47Å; E68-K72 IonicContact OE2-NZ 3.52Å; E68-K72 PolarHBondContact OE2-NZ 2.69Å; I69-K72 PolarHBondContact O-N 3.39Å; L70-K72 VanDerWaalsContact C-N 3.34Å; L70-K72 PolarHBondContact O-N 3.01Å; K72-R74 VanDerWaalsContact C-N 3.3Å; K72-R74 PolarHBondContact O-N 2.87Å; K72-M138 HydrophobicContact CB-CE 4.41Å; K72-M138 VanDerWaalsContact O-CE 3.26Å; K72-M138 WeakPolarHBondContact O-CE 3.41Å; K72-W170 HydrophobicContact CB-CH2 4.25Å; K72-W170 HydrophobicContact CB-CZ2 4.3Å; K72-W170 HydrophobicContact CD-CH2 4.47Å; K72-W170 HydrophobicContact CD-CZ2 3.99Å
73	A	95.3	Very high	94.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.178	C	C	.	.			trans	-87.9	25.6	-173.5	0	0	0	0	0	114.8	I69 L70 F75 I78 L135 M138 L142	I69-A73 VanDerWaalsContact O-CB 3.25Å; I69-A73 WeakPolarHBondContact O-CB 3.34Å; I69-A73 PolarHBondContact O-N 3.13Å; L70-A73 PolarHBondContact O-N 3.29Å; A73-F75 PolarHBondContact O-N 3.45Å; A73-F75 VanDerWaalsContact O-N 3.15Å; A73-I78 HydrophobicContact CB-CG2 4.44Å; A73-I78 WeakPolarHBondContact O-CB 3.35Å; A73-I78 WeakPolarHBondContact O-CG1 3.46Å; A73-I78 WeakPolarHBondContact O-CG2 3.42Å; A73-L135 HydrophobicContact CB-CD2 3.85Å; A73-M138 HydrophobicContact CB-CE 4.23Å; A73-M138 HydrophobicContact CB-SD 4.05Å; A73-L142 HydrophobicContact CB-CD2 3.91Å
74	R	95.6	Very high	95.4	Very high	101 Å²	101	38 Å²	38	38%	0.381	18%	0.179	S	C	.	.			trans	-65.7	114.7	-177.6	-75.2	-165.9	-179.8	86.2	-1.7	112.2	H71 K72 I81 Y134	H71-R74 PolarHBondContact CE1-NH1 3.02Å; H71-R74 PolarHBondContact ND1-NH1 3.36Å; H71-R74 PolarHBondContact ND1-NH2 3.47Å; H71-R74 PolarHBondContact O-NH1 3.42Å; K72-R74 VanDerWaalsContact C-N 3.3Å; K72-R74 PolarHBondContact O-N 2.87Å; R74-I81 PolarHBondContact NH2-O 3.3Å; R74-Y134 PolarHBondContact O-OH 3.17Å
75	F	98.1	Very high	95.6	Very high	68 Å²	68	35.1 Å²	35.1	30%	0.298	16%	0.164	S	C	.	.			trans	-155.8	161.2	175.7	177.6	-119.7	0	0	0	110	A73 Y77 I78 L130 Y134	A73-F75 PolarHBondContact O-N 3.45Å; A73-F75 VanDerWaalsContact O-N 3.15Å; F75-Y77 HydrophobicContact CD1-CD2 4.36Å; F75-Y77 AromaticContact CE1-CD2 3.7Å; F75-Y77 HydrophobicContact CE1-CD2 3.7Å; F75-Y77 HydrophobicContact CE1-CE2 4.32Å; F75-Y77 HydrophobicContact CZ-CD2 4.21Å; F75-Y77 HydrophobicContact CZ-CE2 4.39Å; F75-Y77 PolarHBondContact O-N 2.9Å; F75-I78 HydrophobicContact CB-CG1 4.03Å; F75-I78 HydrophobicContact CD1-CG1 4.49Å; F75-I78 PolarHBondContact O-N 2.9Å; F75-L130 HydrophobicContact CE1-CB 4.48Å; F75-Y134 HydrophobicContact CB-CD1 3.56Å; F75-Y134 HydrophobicContact CB-CD2 3.84Å; F75-Y134 HydrophobicContact CB-CE1 3.58Å; F75-Y134 HydrophobicContact CB-CE2 3.83Å; F75-Y134 HydrophobicContact CB-CG 3.71Å; F75-Y134 VanDerWaalsContact CD1-CB 3.46Å; F75-Y134 AromaticContact CD1-CD1 3.96Å; F75-Y134 HydrophobicContact CD1-CD1 3.96Å; F75-Y134 HydrophobicContact CD1-CD2 4.07Å; F75-Y134 AromaticContact CD1-CG 3.56Å; F75-Y134 HydrophobicContact CD1-CG 3.56Å; F75-Y134 AromaticContact CD2-CD2 3.8Å; F75-Y134 HydrophobicContact CD2-CD2 3.8Å; F75-Y134 HydrophobicContact CD2-CE2 4.2Å; F75-Y134 HydrophobicContact CD2-CG 4.15Å; F75-Y134 HydrophobicContact CE1-CG 4.16Å; F75-Y134 HydrophobicContact CE2-CD2 4.36Å; F75-Y134 AromaticContact CG-CD1 3.91Å; F75-Y134 HydrophobicContact CG-CD1 3.91Å; F75-Y134 AromaticContact CG-CD2 3.64Å; F75-Y134 HydrophobicContact CG-CD2 3.64Å; F75-Y134 HydrophobicContact CG-CE1 4.36Å; F75-Y134 HydrophobicContact CG-CE2 4.09Å; F75-Y134 AromaticContact CG-CG 3.54Å; F75-Y134 HydrophobicContact CG-CG 3.54Å
76	S	98.3	Very high	95.7	Very high	72 Å²	72	34.2 Å²	34.2	50%	0.503	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-28.9	-167.9	-49.1	0	0	0	0	115.7	K161	S76-K161 PolarHBondContact O-NZ 3.44Å
77	Y	98.7	Very high	95.6	Very high	49 Å²	49	36.9 Å²	36.9	19%	0.192	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	16.4	-177.6	-48.1	-64	0	0	0	113.7	F75 E127 L130 V160 K161 I162	F75-Y77 HydrophobicContact CD1-CD2 4.36Å; F75-Y77 AromaticContact CE1-CD2 3.7Å; F75-Y77 HydrophobicContact CE1-CD2 3.7Å; F75-Y77 HydrophobicContact CE1-CE2 4.32Å; F75-Y77 HydrophobicContact CZ-CD2 4.21Å; F75-Y77 HydrophobicContact CZ-CE2 4.39Å; F75-Y77 PolarHBondContact O-N 2.9Å; Y77-E127 HydrophobicContact CD1-CB 3.72Å; Y77-E127 HydrophobicContact CD1-CG 3.84Å; Y77-E127 HydrophobicContact CE1-CB 3.88Å; Y77-E127 HydrophobicContact CE1-CG 3.43Å; Y77-E127 VanDerWaalsContact CE1-CG 3.43Å; Y77-E127 HydrophobicContact CG-CB 4.09Å; Y77-L130 HydrophobicContact CD2-CB 3.73Å; Y77-L130 HydrophobicContact CD2-CD1 4.36Å; Y77-L130 HydrophobicContact CE2-CB 3.8Å; Y77-L130 HydrophobicContact CE2-CD1 3.58Å; Y77-L130 HydrophobicContact CE2-CG 4.35Å; Y77-V160 VanDerWaalsContact CA-O 3.28Å; Y77-V160 WeakPolarHBondContact CA-O 2.87Å; Y77-K161 WeakPolarHBondContact O-CA 3.46Å; Y77-I162 WeakPolarHBondContact O-CG1 3.49Å; Y77-I162 PolarHBondContact O-N 2.98Å
78	I	98.5	Very high	95.1	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-111.7	141.2	173.4	-51.6	-57.6	0	0	0	108.2	L70 A73 F75 P80 Y134 L135 I162 F165	L70-I78 HydrophobicContact CD2-CG2 4.42Å; A73-I78 HydrophobicContact CB-CG2 4.44Å; A73-I78 WeakPolarHBondContact O-CB 3.35Å; A73-I78 WeakPolarHBondContact O-CG1 3.46Å; A73-I78 WeakPolarHBondContact O-CG2 3.42Å; F75-I78 HydrophobicContact CB-CG1 4.03Å; F75-I78 HydrophobicContact CD1-CG1 4.49Å; F75-I78 PolarHBondContact O-N 2.9Å; I78-P80 WeakPolarHBondContact O-CD 3.24Å; I78-Y134 HydrophobicContact CG1-CD1 4.41Å; I78-L135 HydrophobicContact CD1-CD1 4.1Å; I78-L135 HydrophobicContact CD1-CD2 3.93Å; I78-L135 HydrophobicContact CD1-CG 4.01Å; I78-L135 HydrophobicContact CG1-CD2 4.33Å; I78-I162 HydrophobicContact CD1-CB 3.98Å; I78-I162 HydrophobicContact CD1-CD1 4.06Å; I78-I162 HydrophobicContact CD1-CG1 4.38Å; I78-F165 HydrophobicContact CD1-CZ 4.37Å; I78-F165 HydrophobicContact CG2-CE2 3.89Å; I78-F165 HydrophobicContact CG2-CZ 3.69Å
79	L	98.3	Very high	94.5	Very high	15 Å²	15	45.9 Å²	45.9	8%	0.079	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-59.1	117.9	-177.5	-179.1	62.8	0	0	0	111.9	I81 T95 M98 L153 K161 I162 A163	L79-I81 PolarHBondContact O-N 2.89Å; L79-T95 HydrophobicContact CD2-CG2 3.84Å; L79-T95 HydrophobicContact CG-CG2 4.07Å; L79-M98 HydrophobicContact CD1-CE 3.95Å; L79-M98 HydrophobicContact CD1-CG 3.95Å; L79-M98 HydrophobicContact CD1-SD 4.4Å; L79-L153 HydrophobicContact CD1-CD1 4.35Å; L79-L153 HydrophobicContact CD2-CD1 4.06Å; L79-K161 HydrophobicContact CB-CB 4.29Å; L79-K161 HydrophobicContact CD1-CB 4.32Å; L79-I162 WeakPolarHBondContact CB-O 3.45Å; L79-I162 PolarHBondContact N-O 3.25Å; L79-A163 HydrophobicContact CB-CB 4.13Å; L79-A163 HydrophobicContact CD2-CB 3.71Å
80	P	97.4	Very high	94.3	Very high	30 Å²	30	46.2 Å²	46.2	20%	0.195	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-71.2	116.5	-177.2	-23.8	37.8	0	0	0	112.2	I78 T95 E96	I78-P80 WeakPolarHBondContact O-CD 3.24Å; P80-T95 VanDerWaalsContact O-CA 3.28Å; P80-T95 WeakPolarHBondContact O-CA 3.48Å; P80-T95 WeakPolarHBondContact O-CB 3.47Å; P80-E96 HydrophobicContact CB-CG 4.07Å; P80-E96 WeakPolarHBondContact CB-OE1 3.27Å; P80-E96 HydrophobicContact CG-CG 4.41Å; P80-E96 WeakPolarHBondContact CG-OE2 3.39Å; P80-E96 PolarHBondContact O-N 3.09Å; P80-E96 VanDerWaalsContact O-N 3.08Å
81	I	97.6	Very high	94.1	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	123.7	167.7	-171.1	-179.7	0	0	0	110.4	L10 A67 L70 H71 R74 L79 I93	L10-I81 HydrophobicContact CD1-CD1 3.67Å; L10-I81 HydrophobicContact CD1-CG1 3.88Å; L10-I81 HydrophobicContact CD1-CG2 4.21Å; L10-I81 HydrophobicContact CD2-CD1 3.83Å; L10-I81 HydrophobicContact CG-CD1 4.42Å; A67-I81 HydrophobicContact CB-CD1 3.83Å; L70-I81 HydrophobicContact CB-CB 3.99Å; L70-I81 HydrophobicContact CB-CD1 4.27Å; L70-I81 HydrophobicContact CB-CG2 3.82Å; H71-I81 HydrophobicContact CB-CG2 4.07Å; R74-I81 PolarHBondContact NH2-O 3.3Å; L79-I81 PolarHBondContact O-N 2.89Å; I81-I93 HydrophobicContact CD1-CG2 3.54Å; I81-I93 HydrophobicContact CG1-CG2 3.82Å
82	L	97.7	Very high	93.9	Very high	43 Å²	43	44.8 Å²	44.8	23%	0.225	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-29.3	-179.1	-58.9	176.9	0	0	0	111.8	P11 W40 V44 V94 E96	P11-L82 WeakPolarHBondContact CD-O 3.32Å; P11-L82 WeakPolarHBondContact CG-O 3.17Å; W40-L82 HydrophobicContact CH2-CB 4.19Å; W40-L82 HydrophobicContact CZ3-CB 3.83Å; W40-L82 HydrophobicContact CZ3-CD1 4.2Å; V44-L82 HydrophobicContact CG1-CD1 3.75Å; L82-V94 PolarHBondContact N-O 2.93Å; L82-E96 HydrophobicContact CD1-CG 4.15Å; L82-E96 HydrophobicContact CD2-CG 4Å; L82-E96 HydrophobicContact CG-CG 4.22Å
83	G	96.9	Very high	94	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.4	-168.1	177.6	0	0	0	0	0	112.9	P11 V94	P11-G83 CarbonylContact O-C 3.55Å; P11-G83 WeakPolarHBondContact O-CA 3.42Å; G83-V94 PolarHBondContact N-O 3.4Å; G83-V94 PolarHBondContact O-N 3.35Å
84	I	96.1	Very high	94.1	Very high	17 Å²	17	40.4 Å²	40.4	9%	0.087	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.5	177.5	-170.4	175.7	0	0	0	110.6	L10 P11 P12 I13 I63 L64 A67 L91 G92	L10-I84 HydrophobicContact CD2-CB 4.02Å; L10-I84 HydrophobicContact CD2-CG2 3.82Å; L10-I84 HydrophobicContact CG-CG2 4.23Å; P11-I84 PolarHBondContact O-N 3.44Å; P12-I84 CarbonylContact C-O 3.59Å; P12-I84 WeakPolarHBondContact CA-O 3.42Å; I13-I84 PolarHBondContact N-O 3.12Å; I63-I84 HydrophobicContact CG2-CD1 4.47Å; L64-I84 HydrophobicContact CD2-CD1 3.68Å; A67-I84 HydrophobicContact CB-CD1 3.98Å; I84-L91 HydrophobicContact CD1-CD1 4.21Å; I84-G92 WeakPolarHBondContact CG1-O 3.27Å
85	C	94.6	Very high	94.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	119.8	163.7	-174	0	0	0	0	108	I13 L18 F90 L91 G92	I13-C85 VanDerWaalsContact O-CA 3.22Å; I13-C85 WeakPolarHBondContact O-CA 3.45Å; I13-C85 VanDerWaalsContact O-CB 3.26Å; I13-C85 WeakPolarHBondContact O-CB 3.45Å; I13-C85 PolarHBondContact O-SG 3.38Å; I13-C85 VanDerWaalsContact O-SG 3.38Å; L18-C85 HydrophobicContact CD1-CB 4.28Å; C85-F90 HydrophobicContact CB-CD1 4.02Å; C85-F90 HydrophobicContact CB-CE1 4.14Å; C85-F90 VanDerWaalsContact SG-CD1 3.59Å; C85-L91 CarbonylContact O-C 3.55Å; C85-L91 WeakPolarHBondContact O-CA 3.46Å; C85-G92 PolarHBondContact N-O 3.2Å; C85-G92 PolarHBondContact O-N 3.24Å
86	N	91.8	Very high	94.2	Very high	83 Å²	83	36.6 Å²	36.6	44%	0.444	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	75	180	-178.9	22.6	0	0	0	109.2	L91	N86-L91 HydrophobicContact CB-CD1 3.88Å
87	E	89	Confident	94.2	Very high	69 Å²	69	36 Å²	36	32%	0.322	18%	0.182	S	C	.	.			trans	-103.3	166.6	173.9	-65.6	-174.2	-170.4	0	0	109.3	P14 Y15 R60 E89 F90	P14-E87 VanDerWaalsContact CA-OE1 3.32Å; P14-E87 WeakPolarHBondContact CA-OE1 3.08Å; Y15-E87 WeakPolarHBondContact CB-OE2 3.45Å; Y15-E87 PolarHBondContact N-OE1 3.39Å; R60-E87 PolarHBondContact NH2-O 3.46Å; E87-E89 PolarHBondContact O-N 2.99Å; E87-F90 PolarHBondContact N-O 3.27Å
88	P	83.2	Confident	94.2	Very high	115 Å²	115	34.5 Å²	34.5	75%	0.747	18%	0.177	S	C	*	.	S	Bend	trans	-58.8	-45.7	-176.7	-26.4	36.1	0	0	0	112.9	R60	R60-P88 PolarHBondContact NH2-O 3.5Å
89	E	81.4	Confident	94.1	Very high	167 Å²	167	36.3 Å²	36.3	78%	0.78	19%	0.189	S	C	*	.	S	Bend	trans	-94.2	-13.3	-175.6	-59.9	-179.3	174.6	0	0	113.7	E87	E87-E89 PolarHBondContact O-N 2.99Å
90	F	87.1	Confident	94	Very high	9 Å²	9	36.2 Å²	36.2	4%	0.039	19%	0.189	C	C	.	.			trans	-138.9	118.2	179.9	-168.3	-81.2	0	0	0	112.1	Y15 L18 L21 V46 H48 I51 C85 E87	Y15-F90 HydrophobicContact CD2-CB 4.13Å; Y15-F90 AromaticContact CD2-CD1 3.74Å; Y15-F90 HydrophobicContact CD2-CD1 3.74Å; Y15-F90 AromaticContact CD2-CD2 3.78Å; Y15-F90 HydrophobicContact CD2-CD2 3.78Å; Y15-F90 HydrophobicContact CD2-CE1 4.03Å; Y15-F90 HydrophobicContact CD2-CE2 4.08Å; Y15-F90 AromaticContact CD2-CG 3.6Å; Y15-F90 HydrophobicContact CD2-CG 3.6Å; Y15-F90 HydrophobicContact CD2-CZ 4.19Å; Y15-F90 HydrophobicContact CE2-CD1 4.29Å; Y15-F90 AromaticContact CE2-CD2 3.54Å; Y15-F90 HydrophobicContact CE2-CD2 3.54Å; Y15-F90 HydrophobicContact CE2-CE1 4.36Å; Y15-F90 AromaticContact CE2-CE2 3.63Å; Y15-F90 HydrophobicContact CE2-CE2 3.63Å; Y15-F90 AromaticContact CE2-CG 3.89Å; Y15-F90 HydrophobicContact CE2-CG 3.89Å; Y15-F90 HydrophobicContact CE2-CZ 4.04Å; Y15-F90 HydrophobicContact CG-CG 4.44Å; L18-F90 HydrophobicContact CD1-CE1 4.42Å; L21-F90 HydrophobicContact CD2-CE2 4.44Å; V46-F90 HydrophobicContact CG1-CE1 4.04Å; V46-F90 HydrophobicContact CG1-CZ 3.93Å; H48-F90 HydrophobicContact CB-CE1 4.01Å; H48-F90 HydrophobicContact CB-CE2 4.01Å; H48-F90 HydrophobicContact CB-CZ 3.53Å; H48-F90 AromaticContact CD2-CZ 3.84Å; H48-F90 AromaticContact CG-CE2 3.78Å; H48-F90 AromaticContact CG-CZ 3.57Å; H48-F90 AromaticContact ND1-CE2 3.85Å; I51-F90 HydrophobicContact CD1-CD2 4.13Å; I51-F90 HydrophobicContact CD1-CE2 3.91Å; I51-F90 HydrophobicContact CG1-CD2 4.01Å; I51-F90 HydrophobicContact CG1-CE2 4.09Å; C85-F90 HydrophobicContact CB-CD1 4.02Å; C85-F90 HydrophobicContact CB-CE1 4.14Å; C85-F90 VanDerWaalsContact SG-CD1 3.59Å; E87-F90 PolarHBondContact N-O 3.27Å
91	L	90.1	Very high	93.9	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.5	173.7	178.7	66.7	0	0	0	109.6	H48 L49 L55 R60 I63 I84 C85 N86	H48-L91 WeakPolarHBondContact CA-O 3.21Å; H48-L91 WeakPolarHBondContact CB-O 3.47Å; L49-L91 PolarHBondContact N-O 2.99Å; L55-L91 HydrophobicContact CD1-CB 3.65Å; L55-L91 HydrophobicContact CD1-CD2 4.32Å; R60-L91 VanDerWaalsContact CA-CD2 3.48Å; R60-L91 HydrophobicContact CB-CD2 3.76Å; R60-L91 HydrophobicContact CG-CD2 3.71Å; I63-L91 HydrophobicContact CB-CD2 3.94Å; I63-L91 HydrophobicContact CB-CG 4.26Å; I63-L91 HydrophobicContact CD1-CD2 4.03Å; I63-L91 HydrophobicContact CD1-CG 4.1Å; I63-L91 HydrophobicContact CG1-CD2 4.5Å; I63-L91 HydrophobicContact CG2-CD1 4.15Å; I63-L91 HydrophobicContact CG2-CD2 4.09Å; I63-L91 HydrophobicContact CG2-CG 3.87Å; I84-L91 HydrophobicContact CD1-CD1 4.21Å; C85-L91 CarbonylContact O-C 3.55Å; C85-L91 WeakPolarHBondContact O-CA 3.46Å; N86-L91 HydrophobicContact CB-CD1 3.88Å
92	G	92.4	Very high	94	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	145.6	178.1	0	0	0	0	0	115.4	K47 I84 C85	K47-G92 CarbonylContact O-C 3.56Å; K47-G92 WeakPolarHBondContact O-CA 3.45Å; I84-G92 WeakPolarHBondContact CG1-O 3.27Å; C85-G92 PolarHBondContact N-O 3.2Å; C85-G92 PolarHBondContact O-N 3.24Å
93	I	95.9	Very high	94	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	130.1	174.9	-49	-175.4	0	0	0	108.4	V46 K47 I63 E66 A67 L70 I81 T95	V46-I93 CarbonylContact C-O 3.59Å; V46-I93 WeakPolarHBondContact CA-O 3.18Å; K47-I93 HydrophobicContact CB-CB 4.41Å; K47-I93 PolarHBondContact N-O 2.88Å; K47-I93 PolarHBondContact O-N 3.48Å; I63-I93 HydrophobicContact CG2-CD1 4.26Å; I63-I93 HydrophobicContact CG2-CG1 3.78Å; E66-I93 HydrophobicContact CB-CD1 3.87Å; E66-I93 HydrophobicContact CG-CD1 3.8Å; A67-I93 HydrophobicContact CB-CD1 4.24Å; A67-I93 HydrophobicContact CB-CG1 4.23Å; L70-I93 HydrophobicContact CD1-CD1 4.42Å; L70-I93 HydrophobicContact CD1-CG2 4.1Å; I81-I93 HydrophobicContact CD1-CG2 3.54Å; I81-I93 HydrophobicContact CG1-CG2 3.82Å; I93-T95 HydrophobicContact CG2-CG2 4.06Å
94	V	97.7	Very high	94	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120	178.1	-173.2	0	0	0	0	109.6	I13 L18 V44 A45 V46 L82 G83	I13-V94 HydrophobicContact CD1-CB 3.7Å; I13-V94 HydrophobicContact CD1-CG1 3.83Å; I13-V94 HydrophobicContact CD1-CG2 3.88Å; L18-V94 HydrophobicContact CD1-CG2 4.3Å; L18-V94 HydrophobicContact CD2-CG1 4.3Å; L18-V94 HydrophobicContact CD2-CG2 4.22Å; V44-V94 HydrophobicContact CB-CG1 3.8Å; V44-V94 HydrophobicContact CG1-CG1 4.12Å; V44-V94 HydrophobicContact CG2-CG1 3.85Å; A45-V94 WeakPolarHBondContact O-CA 3.29Å; V46-V94 HydrophobicContact CG1-CG2 4.45Å; V46-V94 HydrophobicContact CG2-CG2 4.48Å; L82-V94 PolarHBondContact N-O 2.93Å; G83-V94 PolarHBondContact N-O 3.4Å; G83-V94 PolarHBondContact O-N 3.35Å
95	T	98.3	Very high	94.1	Very high	12 Å²	12	37.9 Å²	37.9	7%	0.074	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	170.3	-178.7	69.6	0	0	0	0	111.2	V44 A45 L79 P80 I93	V44-T95 WeakPolarHBondContact CA-O 3.46Å; V44-T95 WeakPolarHBondContact CB-O 3.41Å; A45-T95 PolarHBondContact N-O 3.25Å; A45-T95 PolarHBondContact O-N 2.88Å; L79-T95 HydrophobicContact CD2-CG2 3.84Å; L79-T95 HydrophobicContact CG-CG2 4.07Å; P80-T95 VanDerWaalsContact O-CA 3.28Å; P80-T95 WeakPolarHBondContact O-CA 3.48Å; P80-T95 WeakPolarHBondContact O-CB 3.47Å; I93-T95 HydrophobicContact CG2-CG2 4.06Å
96	E	97.9	Very high	94.2	Very high	78 Å²	78	37.9 Å²	37.9	36%	0.364	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	146.5	161.5	-70.3	176.8	-170.9	0	0	111	P80 L82 M98	P80-E96 HydrophobicContact CB-CG 4.07Å; P80-E96 WeakPolarHBondContact CB-OE1 3.27Å; P80-E96 HydrophobicContact CG-CG 4.41Å; P80-E96 WeakPolarHBondContact CG-OE2 3.39Å; P80-E96 PolarHBondContact O-N 3.09Å; P80-E96 VanDerWaalsContact O-N 3.08Å; L82-E96 HydrophobicContact CD1-CG 4.15Å; L82-E96 HydrophobicContact CD2-CG 4Å; L82-E96 HydrophobicContact CG-CG 4.22Å; E96-M98 HydrophobicContact CB-CE 3.52Å
97	Y	98.1	Very high	94.5	Very high	59 Å²	59	34 Å²	34	23%	0.231	18%	0.18	C	C	.	.			trans	-88	130.6	175	174.8	-93.6	0	0	0	110.6	L24 R43 A45 P99	L24-Y97 HydrophobicContact CD1-CE2 3.97Å; R43-Y97 VanDerWaalsContact CD-CG 3.5Å; R43-Y97 HydrophobicContact CG-CD1 4.16Å; R43-Y97 HydrophobicContact CG-CD2 4.25Å; R43-Y97 HydrophobicContact CG-CG 3.87Å; R43-Y97 VanDerWaalsContact NH1-CE1 3.31Å; A45-Y97 HydrophobicContact CB-CD2 4.45Å; Y97-P99 HydrophobicContact CD1-CB 4.28Å; Y97-P99 HydrophobicContact CE1-CB 3.88Å; Y97-P99 VanDerWaalsContact O-CD 3.29Å; Y97-P99 WeakPolarHBondContact O-CD 3.44Å
98	M	98	Very high	94.9	Very high	17 Å²	17	32.9 Å²	32.9	8%	0.084	18%	0.175	C	C	.	.			trans	-99.5	99.9	-177.6	-65.4	-63.1	122.4	0	0	110.6	L79 E96 N100 G101 L153 D155 K161	L79-M98 HydrophobicContact CD1-CE 3.95Å; L79-M98 HydrophobicContact CD1-CG 3.95Å; L79-M98 HydrophobicContact CD1-SD 4.4Å; E96-M98 HydrophobicContact CB-CE 3.52Å; M98-N100 VanDerWaalsContact C-N 3.27Å; M98-N100 PolarHBondContact O-N 2.71Å; M98-G101 PolarHBondContact O-N 3.47Å; M98-L153 HydrophobicContact CB-CB 4.04Å; M98-L153 HydrophobicContact CB-CD1 4.35Å; M98-L153 HydrophobicContact CG-CB 3.77Å; M98-L153 HydrophobicContact CG-CD1 3.95Å; M98-D155 HydrophobicContact CE-CB 4.5Å; M98-D155 HydrophobicContact SD-CB 3.79Å; M98-K161 HydrophobicContact CE-CG 4.07Å; M98-K161 HydrophobicContact SD-CB 4.2Å; M98-K161 HydrophobicContact SD-CG 3.52Å; M98-K161 VanDerWaalsContact SD-CG 3.52Å
99	P	96.1	Very high	95.5	Very high	41 Å²	41	32.9 Å²	32.9	27%	0.266	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-15.1	-169.7	31.8	-38	0	0	0	114.2	Y97 N156 K313	Y97-P99 HydrophobicContact CD1-CB 4.28Å; Y97-P99 HydrophobicContact CE1-CB 3.88Å; Y97-P99 VanDerWaalsContact O-CD 3.29Å; Y97-P99 WeakPolarHBondContact O-CD 3.44Å; P99-N156 HydrophobicContact CG-CB 3.81Å; P99-K313 PolarHBondContact O-NZ 3.49Å
100	N	96.8	Very high	96.1	Very high	13 Å²	13	29.6 Å²	29.6	7%	0.07	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	11.2	175	-67.8	-43.5	0	0	0	113.6	M98 L154 D155 N156 F158 K313	M98-N100 VanDerWaalsContact C-N 3.27Å; M98-N100 PolarHBondContact O-N 2.71Å; N100-L154 HydrophobicContact CB-CB 3.73Å; N100-L154 PolarHBondContact N-O 3.15Å; N100-D155 PolarHBondContact ND2-O 3.25Å; N100-N156 PolarHBondContact ND2-O 3.05Å; N100-F158 HydrophobicContact CB-CD1 3.95Å; N100-F158 HydrophobicContact CB-CE1 3.71Å; N100-F158 HydrophobicContact CB-CZ 4.08Å; N100-F158 VanDerWaalsContact CG-CZ 3.41Å; N100-F158 WeakPolarHBondContact ND2-CE2 3.26Å; N100-F158 WeakPolarHBondContact OD1-CZ 3.23Å; N100-K313 PolarHBondContact OD1-NZ 3.24Å
101	G	96	Very high	96.4	Very high	23 Å²	23	36 Å²	36	24%	0.237	18%	0.183	C	C	.	.			trans	67.2	-136.3	170.4	0	0	0	0	0	111.9	M98 L153 L154	M98-G101 PolarHBondContact O-N 3.47Å; G101-L153 CarbonylContact O-C 3.37Å; G101-L153 VanDerWaalsContact O-CA 3.3Å; G101-L153 WeakPolarHBondContact O-CA 3.41Å; G101-L154 PolarHBondContact O-N 3.04Å
102	S	97.9	Very high	96.5	Very high	9 Å²	9	37.3 Å²	37.3	6%	0.063	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-107.4	155.2	-180	63.5	0	0	0	0	113.2	N104 E105 L106 I152	S102-N104 PolarHBondContact O-N 3.22Å; S102-E105 WeakPolarHBondContact CB-OE2 3.33Å; S102-E105 PolarHBondContact N-OE2 2.84Å; S102-E105 WeakPolarHBondContact O-CB 3.44Å; S102-E105 PolarHBondContact O-N 2.93Å; S102-E105 WeakPolarHBondContact OG-CG 3.5Å; S102-E105 PolarHBondContact OG-OE2 3.1Å; S102-L106 PolarHBondContact O-N 2.88Å; S102-I152 CarbonylContact C-O 3.59Å; S102-I152 WeakPolarHBondContact CA-O 3.22Å
103	L	98.6	Very high	96.6	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-57	-36.8	172.8	178.4	58.2	0	0	0	111.8	E105 L106 L107 I124 I128 T149 I152 I218 V222	L103-E105 PolarHBondContact O-N 2.9Å; L103-L106 HydrophobicContact CD1-CD2 4.31Å; L103-L106 PolarHBondContact O-N 3.04Å; L103-L107 HydrophobicContact CD1-CD1 4.12Å; L103-L107 HydrophobicContact CD1-CD2 4.18Å; L103-L107 HydrophobicContact CD1-CG 3.88Å; L103-L107 HydrophobicContact CG-CD1 3.91Å; L103-L107 HydrophobicContact CG-CG 4.15Å; L103-L107 VanDerWaalsContact O-CG 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.44Å; L103-L107 PolarHBondContact O-N 3.35Å; L103-I124 HydrophobicContact CD1-CD1 4.19Å; L103-I124 HydrophobicContact CD1-CG2 3.91Å; L103-I124 HydrophobicContact CD2-CG2 3.77Å; L103-I124 HydrophobicContact CG-CG2 4.48Å; L103-I128 HydrophobicContact CD2-CD1 4.02Å; L103-T149 WeakPolarHBondContact CB-O 3.27Å; L103-T149 HydrophobicContact CD2-CG2 4.05Å; L103-T149 HydrophobicContact CG-CG2 4.21Å; L103-T149 PolarHBondContact N-O 3.33Å; L103-I152 HydrophobicContact CB-CB 3.88Å; L103-I152 HydrophobicContact CB-CG2 3.98Å; L103-I152 HydrophobicContact CD2-CB 4.12Å; L103-I152 HydrophobicContact CD2-CG1 4.38Å; L103-I152 HydrophobicContact CD2-CG2 3.94Å; L103-I152 PolarHBondContact N-O 3.32Å; L103-I218 HydrophobicContact CD2-CG2 4.19Å; L103-V222 HydrophobicContact CD1-CG2 4.34Å; L103-V222 HydrophobicContact CD2-CG2 3.85Å; L103-V222 HydrophobicContact CG-CG2 4.41Å
104	N	97.6	Very high	96.5	Very high	39 Å²	39	40.7 Å²	40.7	21%	0.209	21%	0.211	C	C	.	.	H	α-helix	trans	-51.1	-43.4	172.1	171.2	98.2	0	0	0	112	S102 H108 T149 Q150	S102-N104 PolarHBondContact O-N 3.22Å; N104-H108 WeakPolarHBondContact O-CB 3.39Å; N104-H108 PolarHBondContact O-CD2 3.32Å; N104-H108 PolarHBondContact O-N 3.22Å; N104-T149 PolarHBondContact N-O 2.77Å; N104-Q150 HydrophobicContact CB-CB 4.46Å; N104-Q150 HydrophobicContact CB-CG 3.82Å; N104-Q150 PolarHBondContact OD1-NE2 3.15Å
105	E	96.8	Very high	96.2	Very high	55 Å²	55	45.2 Å²	45.2	26%	0.257	24%	0.235	S	C	.	.	H	α-helix	trans	-72.7	-40.6	-179.4	-67.5	164.3	114.9	0	0	111.7	S102 L103 L107 R109	S102-E105 WeakPolarHBondContact CB-OE2 3.33Å; S102-E105 PolarHBondContact N-OE2 2.84Å; S102-E105 WeakPolarHBondContact O-CB 3.44Å; S102-E105 PolarHBondContact O-N 2.93Å; S102-E105 WeakPolarHBondContact OG-CG 3.5Å; S102-E105 PolarHBondContact OG-OE2 3.1Å; L103-E105 PolarHBondContact O-N 2.9Å; E105-L107 VanDerWaalsContact C-N 3.34Å; E105-L107 PolarHBondContact O-N 3.2Å; E105-R109 HydrophobicContact CB-CG 4.23Å; E105-R109 WeakPolarHBondContact O-CB 3.43Å; E105-R109 VanDerWaalsContact O-CG 3.28Å; E105-R109 WeakPolarHBondContact O-CG 3.28Å; E105-R109 PolarHBondContact O-N 3.45Å; E105-R109 IonicContact OE1-CZ 2.64Å; E105-R109 IonicContact OE1-NE 3.57Å; E105-R109 IonicContact OE1-NH2 2.94Å; E105-R109 PolarHBondContact OE1-NH2 2.92Å
106	L	98	Very high	96.1	Very high	1 Å²	1	45 Å²	45	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-41.4	174.2	179.5	61.5	0	0	0	112.3	S102 L103 Y113 L116 I124 L154 F158 R225 L309	S102-L106 PolarHBondContact O-N 2.88Å; L103-L106 HydrophobicContact CD1-CD2 4.31Å; L103-L106 PolarHBondContact O-N 3.04Å; L106-Y113 HydrophobicContact CD1-CD1 3.92Å; L106-Y113 HydrophobicContact CD1-CD2 4.08Å; L106-Y113 HydrophobicContact CD1-CE1 4.35Å; L106-Y113 HydrophobicContact CD1-CG 3.75Å; L106-L116 HydrophobicContact CD1-CD1 4.09Å; L106-L116 HydrophobicContact CD2-CD1 4.06Å; L106-L116 HydrophobicContact CD2-CD2 4.41Å; L106-L116 HydrophobicContact CG-CD1 4.17Å; L106-L116 HydrophobicContact CG-CD2 4.15Å; L106-I124 HydrophobicContact CD2-CD1 3.91Å; L106-L154 HydrophobicContact CB-CD1 3.9Å; L106-L154 HydrophobicContact CD2-CD1 3.73Å; L106-L154 HydrophobicContact CG-CD1 4.44Å; L106-F158 HydrophobicContact CD1-CE1 4.18Å; L106-F158 HydrophobicContact CD2-CD1 4.18Å; L106-R225 PolarHBondContact O-NH2 3.14Å; L106-L309 HydrophobicContact CD1-CD1 3.78Å; L106-L309 HydrophobicContact CD1-CD2 4.06Å
107	L	98.2	Very high	96.1	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-71.8	-45.7	-179.5	-64.6	177.4	0	0	0	112.1	L103 E105 L116 T149 E221 V222 R225	L103-L107 HydrophobicContact CD1-CD1 4.12Å; L103-L107 HydrophobicContact CD1-CD2 4.18Å; L103-L107 HydrophobicContact CD1-CG 3.88Å; L103-L107 HydrophobicContact CG-CD1 3.91Å; L103-L107 HydrophobicContact CG-CG 4.15Å; L103-L107 VanDerWaalsContact O-CG 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.44Å; L103-L107 PolarHBondContact O-N 3.35Å; E105-L107 VanDerWaalsContact C-N 3.34Å; E105-L107 PolarHBondContact O-N 3.2Å; L107-L116 HydrophobicContact CD2-CD2 3.8Å; L107-T149 HydrophobicContact CD1-CG2 4.06Å; L107-E221 HydrophobicContact CD1-CB 4.47Å; L107-E221 HydrophobicContact CD1-CG 3.92Å; L107-V222 HydrophobicContact CD1-CG2 3.83Å; L107-V222 HydrophobicContact CD2-CB 4.4Å; L107-V222 HydrophobicContact CD2-CG2 4.22Å; L107-R225 HydrophobicContact CD2-CG 4.07Å; L107-R225 PolarHBondContact O-NE 3.22Å; L107-R225 PolarHBondContact O-NH2 2.85Å; L107-R225 VanDerWaalsContact O-NH2 3.09Å
108	H	96.8	Very high	96.2	Very high	46 Å²	46	42.3 Å²	42.3	21%	0.213	23%	0.227	C	C	.	.	H	α-helix	trans	-103.5	-19.5	-165	-56.1	-47.9	0	0	0	115.2	N104 K110 E221	N104-H108 WeakPolarHBondContact O-CB 3.39Å; N104-H108 PolarHBondContact O-CD2 3.32Å; N104-H108 PolarHBondContact O-N 3.22Å; H108-K110 PolarHBondContact O-N 2.94Å; H108-E221 IonicContact CD2-OE1 3.64Å; H108-E221 IonicContact CE1-OE1 3.52Å; H108-E221 IonicContact NE2-OE1 2.6Å; H108-E221 PolarHBondContact NE2-OE1 3.39Å
109	R	95.6	Very high	96.2	Very high	116 Å²	116	42.2 Å²	42.2	44%	0.438	23%	0.228	S	C	.	.			trans	-77.3	61.7	171.9	-59.7	-174.3	-176.2	-162.4	2.3	111.3	E105 T111 E112 Y113	E105-R109 HydrophobicContact CB-CG 4.23Å; E105-R109 WeakPolarHBondContact O-CB 3.43Å; E105-R109 VanDerWaalsContact O-CG 3.28Å; E105-R109 WeakPolarHBondContact O-CG 3.28Å; E105-R109 PolarHBondContact O-N 3.45Å; E105-R109 IonicContact OE1-CZ 2.64Å; E105-R109 IonicContact OE1-NE 3.57Å; E105-R109 IonicContact OE1-NH2 2.94Å; E105-R109 PolarHBondContact OE1-NH2 2.92Å; R109-T111 PolarHBondContact O-N 3.38Å; R109-E112 HydrophobicContact CB-CB 4.04Å; R109-E112 WeakPolarHBondContact CD-OE2 3.42Å; R109-E112 IonicContact CZ-OE2 3.76Å; R109-E112 IonicContact NE-OE2 2.78Å; R109-E112 IonicContact NH1-OE1 3.68Å; R109-E112 IonicContact NH1-OE2 2.76Å; R109-E112 PolarHBondContact NH1-OE2 3.1Å; R109-E112 PolarHBondContact O-N 2.89Å; R109-Y113 HydrophobicContact CB-CD2 4.22Å; R109-Y113 PolarHBondContact O-N 2.98Å
110	K	94.3	Very high	96.3	Very high	98 Å²	98	40.3 Å²	40.3	43%	0.426	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.4	-174.2	-65.5	168.1	-175.9	170.4	0	114.1	H108 Y113 P114 R225	H108-K110 PolarHBondContact O-N 2.94Å; K110-Y113 CarbonylContact O-C 3.4Å; K110-P114 WeakPolarHBondContact O-CA 3.41Å; K110-R225 WeakPolarHBondContact CE-O 3.41Å; K110-R225 PolarHBondContact NZ-O 2.89Å
111	T	92.9	Very high	96.4	Very high	142 Å²	142	41 Å²	41	87%	0.871	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-27.9	172.6	-40.1	0	0	0	0	113.4	R109	R109-T111 PolarHBondContact O-N 3.38Å
112	E	92.3	Very high	96.5	Very high	32 Å²	32	39.9 Å²	39.9	15%	0.15	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-33.8	177.4	-167.2	-179.7	152.6	0	0	111.1	R109 T312	R109-E112 HydrophobicContact CB-CB 4.04Å; R109-E112 WeakPolarHBondContact CD-OE2 3.42Å; R109-E112 IonicContact CZ-OE2 3.76Å; R109-E112 IonicContact NE-OE2 2.78Å; R109-E112 IonicContact NH1-OE1 3.68Å; R109-E112 IonicContact NH1-OE2 2.76Å; R109-E112 PolarHBondContact NH1-OE2 3.1Å; R109-E112 PolarHBondContact O-N 2.89Å; E112-T312 WeakPolarHBondContact O-CB 3.41Å; E112-T312 PolarHBondContact O-OG1 2.93Å
113	Y	94.8	Very high	96.5	Very high	5 Å²	5	40.7 Å²	40.7	2%	0.02	21%	0.207	C	C	.	.			trans	-130.1	73.7	-179.5	-51	-70.2	0	0	0	109.8	L106 R109 K110 R225 L309 K313	L106-Y113 HydrophobicContact CD1-CD1 3.92Å; L106-Y113 HydrophobicContact CD1-CD2 4.08Å; L106-Y113 HydrophobicContact CD1-CE1 4.35Å; L106-Y113 HydrophobicContact CD1-CG 3.75Å; R109-Y113 HydrophobicContact CB-CD2 4.22Å; R109-Y113 PolarHBondContact O-N 2.98Å; K110-Y113 CarbonylContact O-C 3.4Å; Y113-R225 PolarHBondContact O-NH1 3.24Å; Y113-R225 VanDerWaalsContact O-NH1 3.16Å; Y113-R225 PolarHBondContact O-NH2 3.39Å; Y113-L309 HydrophobicContact CD1-CB 4.47Å; Y113-L309 HydrophobicContact CD1-CD2 3.72Å; Y113-L309 HydrophobicContact CG-CD2 4.38Å; Y113-K313 HydrophobicContact CE1-CB 4.22Å; Y113-K313 HydrophobicContact CE1-CD 4.48Å; Y113-K313 WeakPolarHBondContact OH-CD 3.42Å; Y113-K313 WeakPolarHBondContact OH-CE 3.25Å; Y113-K313 PolarHBondContact OH-NZ 3.26Å
114	P	93.5	Very high	96.5	Very high	68 Å²	68	40.7 Å²	40.7	44%	0.442	21%	0.207	S	C	.	.	S	Bend	trans	-60.1	-55.6	-179.9	22.8	-32	0	0	0	110.7	K110 R225	K110-P114 WeakPolarHBondContact O-CA 3.41Å; P114-R225 PolarHBondContact O-NH1 2.89Å
115	D	92.6	Very high	96.6	Very high	94 Å²	94	38.9 Å²	38.9	50%	0.503	20%	0.197	S	C	.	.			trans	-91.2	144.5	176	-52.9	-60.7	0	0	0	111.4	Q308	D115-Q308 PolarHBondContact OD2-NE2 2.93Å
116	L	96.6	Very high	96.7	Very high	9 Å²	9	37.8 Å²	37.8	5%	0.047	19%	0.192	C	C	.	.			trans	-143.3	99	169.3	-179.4	60.5	0	0	0	108.5	L106 L107 L120 R121 L309	L106-L116 HydrophobicContact CD1-CD1 4.09Å; L106-L116 HydrophobicContact CD2-CD1 4.06Å; L106-L116 HydrophobicContact CD2-CD2 4.41Å; L106-L116 HydrophobicContact CG-CD1 4.17Å; L106-L116 HydrophobicContact CG-CD2 4.15Å; L107-L116 HydrophobicContact CD2-CD2 3.8Å; L116-L120 HydrophobicContact CD1-CD2 4.1Å; L116-R121 HydrophobicContact CD2-CG 3.85Å; L116-R121 HydrophobicContact CG-CG 3.69Å; L116-R121 PolarHBondContact O-NE 3.22Å; L116-R121 PolarHBondContact O-NH2 3.13Å; L116-L309 HydrophobicContact CD1-CD1 3.97Å; L116-L309 HydrophobicContact CD1-CD2 4.27Å
117	A	97.8	Very high	96.7	Very high	35 Å²	35	38 Å²	38	29%	0.289	19%	0.193	S	C	.	.			trans	-64.5	143.8	-172	0	0	0	0	0	112.7	P119 L120 R121 A305	A117-P119 VanDerWaalsContact C-CD 3.46Å; A117-L120 PolarHBondContact O-N 2.96Å; A117-R121 PolarHBondContact O-N 2.92Å; A117-A305 HydrophobicContact CB-CB 3.91Å
118	W	98.3	Very high	96.8	Very high	44 Å²	44	38 Å²	38	17%	0.167	19%	0.193	C	C	.	.	H	α-helix	trans	-53.6	-44.5	-176.5	-65.4	124.5	0	0	0	115	L120 R121 F122 L223 D258 I259 P260 F297	W118-L120 VanDerWaalsContact C-N 3.32Å; W118-L120 PolarHBondContact O-N 3.16Å; W118-R121 HydrophobicContact CE3-CG 4.5Å; W118-R121 WeakPolarHBondContact O-CB 3.22Å; W118-R121 PolarHBondContact O-N 3.07Å; W118-F122 HydrophobicContact CE3-CE2 4.11Å; W118-F122 WeakPolarHBondContact O-CD2 3.45Å; W118-F122 PolarHBondContact O-N 3.27Å; W118-L223 HydrophobicContact CE3-CD2 4.26Å; W118-L223 HydrophobicContact CZ3-CD2 3.77Å; W118-D258 WeakPolarHBondContact CZ2-OD2 3.31Å; W118-D258 PolarHBondContact NE1-OD2 3.5Å; W118-I259 HydrophobicContact CH2-CD1 4.38Å; W118-I259 HydrophobicContact CH2-CG1 3.52Å; W118-I259 HydrophobicContact CZ2-CG1 3.81Å; W118-I259 HydrophobicContact CZ3-CG1 4.12Å; W118-P260 HydrophobicContact CB-CG 3.87Å; W118-P260 HydrophobicContact CG-CG 3.9Å; W118-F297 HydrophobicContact CB-CE1 4.4Å
119	P	98.2	Very high	96.9	Very high	16 Å²	16	35.8 Å²	35.8	10%	0.104	18%	0.183	C	C	.	.	H	α-helix	trans	-52.6	-47.9	-179.4	-24.1	30.7	0	0	0	112.6	A117 R121 F122 R123 F297 T301 F302	A117-P119 VanDerWaalsContact C-CD 3.46Å; P119-R121 PolarHBondContact O-N 2.92Å; P119-F122 PolarHBondContact O-N 2.86Å; P119-R123 WeakPolarHBondContact O-CB 3.35Å; P119-R123 PolarHBondContact O-N 2.88Å; P119-F297 HydrophobicContact CB-CB 4.24Å; P119-F297 HydrophobicContact CB-CD1 3.97Å; P119-F297 HydrophobicContact CB-CE1 4.48Å; P119-F297 HydrophobicContact CB-CG 4.02Å; P119-F297 HydrophobicContact CG-CD1 3.65Å; P119-F297 HydrophobicContact CG-CE1 4.07Å; P119-F297 HydrophobicContact CG-CG 4.21Å; P119-T301 WeakPolarHBondContact CG-OG1 3.34Å; P119-F302 HydrophobicContact CB-CD1 3.59Å; P119-F302 HydrophobicContact CB-CE1 3.75Å; P119-F302 HydrophobicContact CB-CG 4.28Å; P119-F302 WeakPolarHBondContact O-CD1 3.26Å; P119-F302 VanDerWaalsContact O-CE1 3.23Å; P119-F302 WeakPolarHBondContact O-CE1 3.12Å
120	L	98.4	Very high	97	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.4	-36.6	-179.9	-179.8	57.5	0	0	0	112.6	L116 A117 W118 R123 I124 F158 A305 V306 L309	L116-L120 HydrophobicContact CD1-CD2 4.1Å; A117-L120 PolarHBondContact O-N 2.96Å; W118-L120 VanDerWaalsContact C-N 3.32Å; W118-L120 PolarHBondContact O-N 3.16Å; L120-R123 VanDerWaalsContact CD1-NH2 3.34Å; L120-R123 PolarHBondContact O-N 3.11Å; L120-I124 HydrophobicContact CD1-CD1 4.09Å; L120-I124 HydrophobicContact CD1-CG1 4.24Å; L120-I124 HydrophobicContact CG-CD1 4.01Å; L120-I124 WeakPolarHBondContact O-CB 3.4Å; L120-I124 VanDerWaalsContact O-CG1 3.29Å; L120-I124 WeakPolarHBondContact O-CG1 3.22Å; L120-I124 PolarHBondContact O-N 3.12Å; L120-F158 HydrophobicContact CD1-CB 4.11Å; L120-F158 HydrophobicContact CD2-CB 4.3Å; L120-A305 HydrophobicContact CB-CB 3.89Å; L120-A305 HydrophobicContact CD2-CB 4.34Å; L120-V306 HydrophobicContact CD1-CG2 4.42Å; L120-V306 HydrophobicContact CD2-CG2 4.45Å; L120-L309 HydrophobicContact CD2-CD1 3.31Å; L120-L309 HydrophobicContact CD2-CG 4.43Å
121	R	98.7	Very high	97.2	Very high	27 Å²	27	27.6 Å²	27.6	10%	0.102	15%	0.152	C	C	.	.	H	α-helix	trans	-62	-45.7	174.6	-59.8	-155.4	-143.3	169.1	14.8	111.7	L116 A117 W118 P119 I124 L125 V222 L223	L116-R121 HydrophobicContact CD2-CG 3.85Å; L116-R121 HydrophobicContact CG-CG 3.69Å; L116-R121 PolarHBondContact O-NE 3.22Å; L116-R121 PolarHBondContact O-NH2 3.13Å; A117-R121 PolarHBondContact O-N 2.92Å; W118-R121 HydrophobicContact CE3-CG 4.5Å; W118-R121 WeakPolarHBondContact O-CB 3.22Å; W118-R121 PolarHBondContact O-N 3.07Å; P119-R121 PolarHBondContact O-N 2.92Å; R121-I124 PolarHBondContact O-N 3.04Å; R121-L125 WeakPolarHBondContact O-CG 3.37Å; R121-L125 PolarHBondContact O-N 2.91Å; R121-L125 VanDerWaalsContact O-N 3.09Å; R121-V222 HydrophobicContact CB-CG1 3.73Å; R121-V222 WeakPolarHBondContact CD-O 3.06Å; R121-V222 HydrophobicContact CG-CG1 4.24Å; R121-V222 PolarHBondContact NH1-O 2.95Å; R121-L223 PolarHBondContact NH1-O 3.2Å
122	F	98.6	Very high	97.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-68.4	-37.3	178.8	-82.8	-103.1	0	0	0	111.8	W118 P119 L125 H126 L223 I259 P260 M265 V293 L294 F297	W118-F122 HydrophobicContact CE3-CE2 4.11Å; W118-F122 WeakPolarHBondContact O-CD2 3.45Å; W118-F122 PolarHBondContact O-N 3.27Å; P119-F122 PolarHBondContact O-N 2.86Å; F122-L125 PolarHBondContact O-N 3.48Å; F122-H126 WeakPolarHBondContact O-CB 3.28Å; F122-H126 PolarHBondContact O-N 3.47Å; F122-L223 HydrophobicContact CE2-CD2 3.79Å; F122-L223 HydrophobicContact CZ-CD2 4.09Å; F122-I259 HydrophobicContact CZ-CG2 4.32Å; F122-P260 HydrophobicContact CE2-CB 4.34Å; F122-P260 HydrophobicContact CE2-CG 4.37Å; F122-P260 HydrophobicContact CZ-CB 4.2Å; F122-P260 WeakPolarHBondContact CZ-O 3.41Å; F122-M265 HydrophobicContact CD1-CE 4.08Å; F122-M265 HydrophobicContact CD1-SD 4.33Å; F122-M265 HydrophobicContact CE1-CE 3.52Å; F122-M265 HydrophobicContact CE1-CG 3.76Å; F122-M265 HydrophobicContact CE1-SD 3.49Å; F122-M265 WeakPolarHBondContact CE1-SD 3.32Å; F122-M265 HydrophobicContact CZ-CE 3.94Å; F122-M265 HydrophobicContact CZ-CG 3.84Å; F122-M265 HydrophobicContact CZ-SD 4.14Å; F122-V293 HydrophobicContact CD1-CG1 3.52Å; F122-V293 HydrophobicContact CE1-CG1 3.55Å; F122-L294 HydrophobicContact CB-CD2 3.95Å; F122-F297 HydrophobicContact CB-CD2 4.46Å; F122-F297 HydrophobicContact CB-CE2 3.63Å; F122-F297 HydrophobicContact CB-CZ 4.24Å; F122-F297 HydrophobicContact CD1-CE2 4.19Å; F122-F297 HydrophobicContact CD2-CE2 4.27Å; F122-F297 HydrophobicContact CD2-CZ 4.05Å; F122-F297 AromaticContact CG-CE2 3.77Å; F122-F297 HydrophobicContact CG-CE2 3.77Å; F122-F297 HydrophobicContact CG-CZ 4.02Å
123	R	98.7	Very high	97.7	Very high	27 Å²	27	20.9 Å²	20.9	10%	0.102	11%	0.112	C	C	.	.	H	α-helix	trans	-57.5	-50.7	170.7	-166	-177.6	76.3	-179.4	4.9	111.6	P119 L120 L125 H126 E127 E157 F158 H159 F302	P119-R123 WeakPolarHBondContact O-CB 3.35Å; P119-R123 PolarHBondContact O-N 2.88Å; L120-R123 VanDerWaalsContact CD1-NH2 3.34Å; L120-R123 PolarHBondContact O-N 3.11Å; R123-L125 VanDerWaalsContact C-N 3.35Å; R123-L125 PolarHBondContact O-N 3.34Å; R123-H126 PolarHBondContact O-N 3.44Å; R123-E127 WeakPolarHBondContact CD-OE1 3.25Å; R123-E127 HydrophobicContact CG-CG 4.36Å; R123-E127 VanDerWaalsContact CG-OE1 3.23Å; R123-E127 WeakPolarHBondContact CG-OE1 3.4Å; R123-E127 IonicContact NE-OE1 2.7Å; R123-E127 WeakPolarHBondContact O-CB 3.45Å; R123-E127 VanDerWaalsContact O-CG 3.3Å; R123-E127 WeakPolarHBondContact O-CG 3.33Å; R123-E127 PolarHBondContact O-N 3.41Å; R123-E157 PolarHBondContact NH2-O 3.42Å; R123-F158 PolarHBondContact NH2-O 3.04Å; R123-H159 PolarHBondContact NH1-CE1 3.4Å; R123-H159 VanDerWaalsContact NH1-CE1 3.33Å; R123-F302 HydrophobicContact CB-CD1 3.89Å; R123-F302 HydrophobicContact CB-CE1 3.87Å; R123-F302 HydrophobicContact CG-CD1 4.34Å; R123-F302 HydrophobicContact CG-CE1 4.42Å
124	I	98.8	Very high	97.9	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-56.4	-46.8	178	-74	164.6	0	0	0	111.3	L103 L106 L120 R121 E127 I128 L154 V160	L103-I124 HydrophobicContact CD1-CD1 4.19Å; L103-I124 HydrophobicContact CD1-CG2 3.91Å; L103-I124 HydrophobicContact CD2-CG2 3.77Å; L103-I124 HydrophobicContact CG-CG2 4.48Å; L106-I124 HydrophobicContact CD2-CD1 3.91Å; L120-I124 HydrophobicContact CD1-CD1 4.09Å; L120-I124 HydrophobicContact CD1-CG1 4.24Å; L120-I124 HydrophobicContact CG-CD1 4.01Å; L120-I124 WeakPolarHBondContact O-CB 3.4Å; L120-I124 VanDerWaalsContact O-CG1 3.29Å; L120-I124 WeakPolarHBondContact O-CG1 3.22Å; L120-I124 PolarHBondContact O-N 3.12Å; R121-I124 PolarHBondContact O-N 3.04Å; I124-E127 PolarHBondContact O-N 3.33Å; I124-I128 HydrophobicContact CG2-CD1 3.9Å; I124-I128 WeakPolarHBondContact O-CD1 3.36Å; I124-I128 VanDerWaalsContact O-CG1 3.25Å; I124-I128 WeakPolarHBondContact O-CG1 3.45Å; I124-I128 PolarHBondContact O-N 2.87Å; I124-L154 HydrophobicContact CD1-CD2 4.31Å; I124-L154 HydrophobicContact CG1-CD2 4.46Å; I124-V160 HydrophobicContact CB-CG2 4.24Å; I124-V160 HydrophobicContact CG1-CG2 4.24Å; I124-V160 HydrophobicContact CG2-CG2 3.93Å
125	L	98.9	Very high	98.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.8	-46.2	177.9	-67.9	-179.7	0	0	0	112.3	R121 F122 R123 E127 I128 A129 Y215 I218 M219 V222 M265	R121-L125 WeakPolarHBondContact O-CG 3.37Å; R121-L125 PolarHBondContact O-N 2.91Å; R121-L125 VanDerWaalsContact O-N 3.09Å; F122-L125 PolarHBondContact O-N 3.48Å; R123-L125 VanDerWaalsContact C-N 3.35Å; R123-L125 PolarHBondContact O-N 3.34Å; L125-E127 PolarHBondContact O-N 3.12Å; L125-I128 PolarHBondContact O-N 3.31Å; L125-A129 WeakPolarHBondContact O-CB 3.49Å; L125-A129 PolarHBondContact O-N 3.47Å; L125-Y215 HydrophobicContact CD2-CE2 4.25Å; L125-Y215 PolarHBondContact O-OH 3.26Å; L125-Y215 VanDerWaalsContact O-OH 3.06Å; L125-I218 HydrophobicContact CD2-CG2 4.32Å; L125-M219 HydrophobicContact CD1-CB 4.44Å; L125-M219 HydrophobicContact CD1-CG 4.2Å; L125-M219 HydrophobicContact CD2-CB 4.39Å; L125-M219 HydrophobicContact CD2-CG 3.95Å; L125-V222 HydrophobicContact CD1-CB 4.4Å; L125-V222 HydrophobicContact CD1-CG1 4.08Å; L125-V222 HydrophobicContact CD2-CB 3.94Å; L125-V222 HydrophobicContact CD2-CG1 4.13Å; L125-V222 HydrophobicContact CD2-CG2 3.84Å; L125-V222 HydrophobicContact CG-CB 4.32Å; L125-V222 HydrophobicContact CG-CG1 3.97Å; L125-M265 HydrophobicContact CD1-CE 3.71Å
126	H	98.8	Very high	98.2	Very high	32 Å²	32	17 Å²	17	15%	0.148	8%	0.083	C	C	.	.	H	α-helix	trans	-60.9	-40.4	176.6	178.1	-112.6	0	0	0	112.7	F122 R123 A129 L130 L294	F122-H126 WeakPolarHBondContact O-CB 3.28Å; F122-H126 PolarHBondContact O-N 3.47Å; R123-H126 PolarHBondContact O-N 3.44Å; H126-A129 PolarHBondContact O-N 2.98Å; H126-L130 WeakPolarHBondContact O-CG 3.38Å; H126-L130 PolarHBondContact O-N 2.76Å; H126-L294 HydrophobicContact CB-CD1 3.86Å; H126-L294 HydrophobicContact CB-CD2 3.98Å; H126-L294 HydrophobicContact CB-CG 3.89Å
127	E	98.9	Very high	98.1	Very high	6 Å²	6	22 Å²	22	3%	0.028	11%	0.109	C	C	.	.	H	α-helix	trans	-70.8	-37.6	178.5	-69.3	178	-174.5	0	0	113	Y77 R123 I124 L125 A129 L130 G131 H159 V160	Y77-E127 HydrophobicContact CD1-CB 3.72Å; Y77-E127 HydrophobicContact CD1-CG 3.84Å; Y77-E127 HydrophobicContact CE1-CB 3.88Å; Y77-E127 HydrophobicContact CE1-CG 3.43Å; Y77-E127 VanDerWaalsContact CE1-CG 3.43Å; Y77-E127 HydrophobicContact CG-CB 4.09Å; R123-E127 WeakPolarHBondContact CD-OE1 3.25Å; R123-E127 HydrophobicContact CG-CG 4.36Å; R123-E127 VanDerWaalsContact CG-OE1 3.23Å; R123-E127 WeakPolarHBondContact CG-OE1 3.4Å; R123-E127 IonicContact NE-OE1 2.7Å; R123-E127 WeakPolarHBondContact O-CB 3.45Å; R123-E127 VanDerWaalsContact O-CG 3.3Å; R123-E127 WeakPolarHBondContact O-CG 3.33Å; R123-E127 PolarHBondContact O-N 3.41Å; I124-E127 PolarHBondContact O-N 3.33Å; L125-E127 PolarHBondContact O-N 3.12Å; E127-A129 VanDerWaalsContact C-N 3.32Å; E127-L130 PolarHBondContact O-N 3.46Å; E127-G131 PolarHBondContact O-N 3.15Å; E127-H159 IonicContact OE1-CE1 2.77Å; E127-H159 IonicContact OE1-CG 2.71Å; E127-H159 IonicContact OE1-ND1 2.72Å; E127-H159 PolarHBondContact OE1-ND1 3.46Å; E127-H159 VanDerWaalsContact OE2-CA 3.28Å; E127-H159 WeakPolarHBondContact OE2-CA 3.23Å; E127-H159 WeakPolarHBondContact OE2-CB 3.44Å; E127-H159 IonicContact OE2-CG 2.64Å; E127-H159 IonicContact OE2-ND1 2.71Å; E127-V160 HydrophobicContact CB-CB 3.82Å; E127-V160 HydrophobicContact CB-CG2 3.96Å; E127-V160 PolarHBondContact OE2-N 3.46Å
128	I	98.9	Very high	98	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.5	-47.2	169	-62.5	160.9	0	0	0	109.4	L103 I124 L125 L130 G131 V132 I152 V160 Y215 I218	L103-I128 HydrophobicContact CD2-CD1 4.02Å; I124-I128 HydrophobicContact CG2-CD1 3.9Å; I124-I128 WeakPolarHBondContact O-CD1 3.36Å; I124-I128 VanDerWaalsContact O-CG1 3.25Å; I124-I128 WeakPolarHBondContact O-CG1 3.45Å; I124-I128 PolarHBondContact O-N 2.87Å; L125-I128 PolarHBondContact O-N 3.31Å; I128-L130 PolarHBondContact O-N 2.75Å; I128-G131 PolarHBondContact O-N 2.99Å; I128-V132 HydrophobicContact CG2-CG2 4.31Å; I128-V132 WeakPolarHBondContact O-CG2 3.37Å; I128-V132 PolarHBondContact O-N 3.38Å; I128-I152 HydrophobicContact CD1-CD1 4.38Å; I128-I152 HydrophobicContact CD1-CG1 4.09Å; I128-I152 HydrophobicContact CD1-CG2 3.98Å; I128-I152 HydrophobicContact CG1-CD1 4.1Å; I128-I152 HydrophobicContact CG1-CG1 4.29Å; I128-I152 HydrophobicContact CG1-CG2 3.93Å; I128-I152 HydrophobicContact CG2-CD1 4.24Å; I128-V160 HydrophobicContact CG1-CG1 3.91Å; I128-V160 HydrophobicContact CG1-CG2 4.05Å; I128-Y215 HydrophobicContact CB-CD2 4.3Å; I128-Y215 HydrophobicContact CB-CE2 4.03Å; I128-Y215 HydrophobicContact CG2-CD2 3.65Å; I128-Y215 HydrophobicContact CG2-CE2 3.9Å; I128-I218 HydrophobicContact CD1-CG2 3.96Å
129	A	98.7	Very high	97.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.4	-40	179.6	0	0	0	0	0	112.5	L125 H126 E127 N133 Y215 F283 L287 L290	L125-A129 WeakPolarHBondContact O-CB 3.49Å; L125-A129 PolarHBondContact O-N 3.47Å; H126-A129 PolarHBondContact O-N 2.98Å; E127-A129 VanDerWaalsContact C-N 3.32Å; A129-N133 WeakPolarHBondContact O-CB 3.48Å; A129-N133 PolarHBondContact O-N 3.39Å; A129-Y215 HydrophobicContact CB-CE1 4.43Å; A129-Y215 HydrophobicContact CB-CE2 4.41Å; A129-F283 HydrophobicContact CB-CD1 4.16Å; A129-L287 HydrophobicContact CB-CD2 3.75Å; A129-L287 HydrophobicContact CB-CG 4.19Å; A129-L290 HydrophobicContact CB-CD1 4.48Å
130	L	98.8	Very high	97.1	Very high	42 Å²	42	27.6 Å²	27.6	22%	0.22	14%	0.138	C	C	.	.	H	α-helix	trans	-63.5	-45.5	173.2	-75.7	174.7	0	0	0	111.6	F75 Y77 H126 E127 I128 N133 Y134 L287	F75-L130 HydrophobicContact CE1-CB 4.48Å; Y77-L130 HydrophobicContact CD2-CB 3.73Å; Y77-L130 HydrophobicContact CD2-CD1 4.36Å; Y77-L130 HydrophobicContact CE2-CB 3.8Å; Y77-L130 HydrophobicContact CE2-CD1 3.58Å; Y77-L130 HydrophobicContact CE2-CG 4.35Å; H126-L130 WeakPolarHBondContact O-CG 3.38Å; H126-L130 PolarHBondContact O-N 2.76Å; E127-L130 PolarHBondContact O-N 3.46Å; I128-L130 PolarHBondContact O-N 2.75Å; L130-N133 PolarHBondContact O-N 3.23Å; L130-Y134 PolarHBondContact O-N 3.11Å; L130-L287 HydrophobicContact CD2-CD1 3.85Å; L130-L287 HydrophobicContact CD2-CD2 3.68Å; L130-L287 HydrophobicContact CD2-CG 4.41Å; L130-L287 HydrophobicContact CG-CD2 3.73Å
131	G	98.6	Very high	96.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.2	-52.7	177.6	0	0	0	0	0	112.4	E127 I128 Y134 L135	E127-G131 PolarHBondContact O-N 3.15Å; I128-G131 PolarHBondContact O-N 2.99Å; G131-Y134 WeakPolarHBondContact O-CB 3.49Å; G131-Y134 PolarHBondContact O-N 3.08Å; G131-L135 WeakPolarHBondContact O-CG 3.38Å; G131-L135 PolarHBondContact O-N 3.23Å
132	V	98.1	Very high	96.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-70.1	-35.3	179.9	-172.1	0	0	0	0	111.9	I128 Y134 L135 H136 L147 I162 D211 F283	I128-V132 HydrophobicContact CG2-CG2 4.31Å; I128-V132 WeakPolarHBondContact O-CG2 3.37Å; I128-V132 PolarHBondContact O-N 3.38Å; V132-Y134 VanDerWaalsContact C-N 3.29Å; V132-Y134 PolarHBondContact O-N 3.49Å; V132-L135 PolarHBondContact O-N 3.47Å; V132-H136 PolarHBondContact O-CD2 3.37Å; V132-H136 PolarHBondContact O-N 3.17Å; V132-L147 HydrophobicContact CG1-CD1 4.24Å; V132-L147 HydrophobicContact CG2-CD1 3.63Å; V132-L147 HydrophobicContact CG2-CD2 4.07Å; V132-I162 HydrophobicContact CG2-CD1 3.68Å; V132-D211 HydrophobicContact CG1-CB 4.03Å; V132-F283 HydrophobicContact CB-CD1 4.04Å; V132-F283 HydrophobicContact CB-CD2 4.22Å; V132-F283 HydrophobicContact CB-CE1 3.82Å; V132-F283 HydrophobicContact CB-CE2 4.04Å; V132-F283 HydrophobicContact CB-CG 4.22Å; V132-F283 HydrophobicContact CB-CZ 3.82Å; V132-F283 HydrophobicContact CG1-CD1 4.38Å; V132-F283 HydrophobicContact CG1-CD2 3.71Å; V132-F283 HydrophobicContact CG1-CE1 4.05Å; V132-F283 HydrophobicContact CG1-CE2 3.34Å; V132-F283 HydrophobicContact CG1-CG 4.21Å; V132-F283 HydrophobicContact CG1-CZ 3.52Å; V132-F283 HydrophobicContact CG2-CE1 4.25Å; V132-F283 HydrophobicContact CG2-CZ 4.24Å
133	N	98.1	Very high	96	Very high	32 Å²	32	27.7 Å²	27.7	17%	0.171	14%	0.142	C	C	.	.	H	α-helix	trans	-59.4	-40.8	172.6	-172.7	62.5	0	0	0	111.7	A129 L130 H136 N137 F283 L284 L287	A129-N133 WeakPolarHBondContact O-CB 3.48Å; A129-N133 PolarHBondContact O-N 3.39Å; L130-N133 PolarHBondContact O-N 3.23Å; N133-H136 PolarHBondContact O-N 2.84Å; N133-N137 WeakPolarHBondContact O-CB 3.28Å; N133-N137 PolarHBondContact O-N 3.35Å; N133-N137 VanDerWaalsContact O-N 3.08Å; N133-N137 PolarHBondContact O-ND2 3.45Å; N133-N137 PolarHBondContact OD1-ND2 2.81Å; N133-F283 HydrophobicContact CB-CB 3.8Å; N133-L284 PolarHBondContact OD1-N 3.48Å; N133-L287 HydrophobicContact CB-CD1 3.68Å
134	Y	98.3	Very high	95.7	Very high	64 Å²	64	26.4 Å²	26.4	25%	0.251	14%	0.137	S	C	.	.	H	α-helix	trans	-59.6	-49.4	173.4	165.6	-88.9	0	0	0	111.4	R74 F75 I78 L130 G131 V132 H136 N137 M138	R74-Y134 PolarHBondContact O-OH 3.17Å; F75-Y134 HydrophobicContact CB-CD1 3.56Å; F75-Y134 HydrophobicContact CB-CD2 3.84Å; F75-Y134 HydrophobicContact CB-CE1 3.58Å; F75-Y134 HydrophobicContact CB-CE2 3.83Å; F75-Y134 HydrophobicContact CB-CG 3.71Å; F75-Y134 VanDerWaalsContact CD1-CB 3.46Å; F75-Y134 AromaticContact CD1-CD1 3.96Å; F75-Y134 HydrophobicContact CD1-CD1 3.96Å; F75-Y134 HydrophobicContact CD1-CD2 4.07Å; F75-Y134 AromaticContact CD1-CG 3.56Å; F75-Y134 HydrophobicContact CD1-CG 3.56Å; F75-Y134 AromaticContact CD2-CD2 3.8Å; F75-Y134 HydrophobicContact CD2-CD2 3.8Å; F75-Y134 HydrophobicContact CD2-CE2 4.2Å; F75-Y134 HydrophobicContact CD2-CG 4.15Å; F75-Y134 HydrophobicContact CE1-CG 4.16Å; F75-Y134 HydrophobicContact CE2-CD2 4.36Å; F75-Y134 AromaticContact CG-CD1 3.91Å; F75-Y134 HydrophobicContact CG-CD1 3.91Å; F75-Y134 AromaticContact CG-CD2 3.64Å; F75-Y134 HydrophobicContact CG-CD2 3.64Å; F75-Y134 HydrophobicContact CG-CE1 4.36Å; F75-Y134 HydrophobicContact CG-CE2 4.09Å; F75-Y134 AromaticContact CG-CG 3.54Å; F75-Y134 HydrophobicContact CG-CG 3.54Å; I78-Y134 HydrophobicContact CG1-CD1 4.41Å; L130-Y134 PolarHBondContact O-N 3.11Å; G131-Y134 WeakPolarHBondContact O-CB 3.49Å; G131-Y134 PolarHBondContact O-N 3.08Å; V132-Y134 VanDerWaalsContact C-N 3.29Å; V132-Y134 PolarHBondContact O-N 3.49Å; Y134-H136 VanDerWaalsContact C-N 3.29Å; Y134-H136 PolarHBondContact O-N 3.42Å; Y134-N137 CarbonylContact O-C 3.5Å; Y134-N137 PolarHBondContact O-N 2.72Å; Y134-M138 HydrophobicContact CE1-CE 4.42Å; Y134-M138 HydrophobicContact CE1-CG 4.13Å; Y134-M138 HydrophobicContact CE1-SD 3.94Å; Y134-M138 WeakPolarHBondContact O-CG 3.43Å; Y134-M138 PolarHBondContact O-N 3.1Å; Y134-M138 VanDerWaalsContact O-N 3.11Å
135	L	96.8	Very high	95.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-56.2	-43.3	178	-60	175.9	0	0	0	111.9	A73 I78 G131 V132 N137 M138 L142 F165	A73-L135 HydrophobicContact CB-CD2 3.85Å; I78-L135 HydrophobicContact CD1-CD1 4.1Å; I78-L135 HydrophobicContact CD1-CD2 3.93Å; I78-L135 HydrophobicContact CD1-CG 4.01Å; I78-L135 HydrophobicContact CG1-CD2 4.33Å; G131-L135 WeakPolarHBondContact O-CG 3.38Å; G131-L135 PolarHBondContact O-N 3.23Å; V132-L135 PolarHBondContact O-N 3.47Å; L135-N137 VanDerWaalsContact C-N 3.29Å; L135-N137 PolarHBondContact O-N 2.92Å; L135-M138 HydrophobicContact CD2-SD 4.22Å; L135-M138 WeakPolarHBondContact O-CB 3.27Å; L135-M138 WeakPolarHBondContact O-CG 3.46Å; L135-M138 PolarHBondContact O-N 3.26Å; L135-L142 CarbonylContact C-O 3.32Å; L135-L142 HydrophobicContact CB-CB 4.32Å; L135-L142 HydrophobicContact CD2-CD2 3.85Å; L135-L142 HydrophobicContact CD2-CG 4.39Å; L135-L142 PolarHBondContact O-N 2.94Å; L135-F165 HydrophobicContact CD1-CE1 3.84Å; L135-F165 HydrophobicContact CD1-CZ 4.12Å; L135-F165 HydrophobicContact CD2-CE1 3.89Å; L135-F165 HydrophobicContact CD2-CZ 4.24Å
136	H	94.8	Very high	94.9	Very high	22 Å²	22	27.9 Å²	27.9	10%	0.102	15%	0.145	C	C	.	.	H	α-helix	trans	-70.9	-21.2	179.7	-73.6	-160.9	0	0	0	113.7	V132 N133 Y134 P141 L142 V208 D211 F283	V132-H136 PolarHBondContact O-CD2 3.37Å; V132-H136 PolarHBondContact O-N 3.17Å; N133-H136 PolarHBondContact O-N 2.84Å; Y134-H136 VanDerWaalsContact C-N 3.29Å; Y134-H136 PolarHBondContact O-N 3.42Å; H136-P141 WeakPolarHBondContact O-CB 3.14Å; H136-L142 PolarHBondContact CD2-O 3.32Å; H136-V208 HydrophobicContact CB-CG1 4.45Å; H136-V208 PolarHBondContact CE1-O 3.34Å; H136-V208 WeakPolarHBondContact ND1-CG1 3.31Å; H136-D211 IonicContact CD2-OD2 2.64Å; H136-D211 IonicContact CE1-OD2 2.92Å; H136-D211 IonicContact NE2-OD2 2.71Å; H136-D211 PolarHBondContact NE2-OD2 3.41Å; H136-F283 AromaticContact CE1-CD2 3.67Å; H136-F283 AromaticContact CE1-CE2 3.69Å; H136-F283 AromaticContact ND1-CD2 3.71Å
137	N	95.4	Very high	94.7	Very high	113 Å²	113	26.4 Å²	26.4	60%	0.604	14%	0.138	S	C	*	.	H	α-helix	trans	-97.7	1.1	175.9	-75.7	-86.1	0	0	0	113.7	N133 Y134 L135	N133-N137 WeakPolarHBondContact O-CB 3.28Å; N133-N137 PolarHBondContact O-N 3.35Å; N133-N137 VanDerWaalsContact O-N 3.08Å; N133-N137 PolarHBondContact O-ND2 3.45Å; N133-N137 PolarHBondContact OD1-ND2 2.81Å; Y134-N137 CarbonylContact O-C 3.5Å; Y134-N137 PolarHBondContact O-N 2.72Å; L135-N137 VanDerWaalsContact C-N 3.29Å; L135-N137 PolarHBondContact O-N 2.92Å
138	M	94.6	Very high	94.5	Very high	28 Å²	28	27.4 Å²	27.4	14%	0.138	14%	0.142	C	C	.	.	S	Bend	trans	-61.3	159.2	167.2	-61.3	-172.3	81.3	0	0	110.9	K72 A73 Y134 L135 P140 P141 L142 W170	K72-M138 HydrophobicContact CB-CE 4.41Å; K72-M138 VanDerWaalsContact O-CE 3.26Å; K72-M138 WeakPolarHBondContact O-CE 3.41Å; A73-M138 HydrophobicContact CB-CE 4.23Å; A73-M138 HydrophobicContact CB-SD 4.05Å; Y134-M138 HydrophobicContact CE1-CE 4.42Å; Y134-M138 HydrophobicContact CE1-CG 4.13Å; Y134-M138 HydrophobicContact CE1-SD 3.94Å; Y134-M138 WeakPolarHBondContact O-CG 3.43Å; Y134-M138 PolarHBondContact O-N 3.1Å; Y134-M138 VanDerWaalsContact O-N 3.11Å; L135-M138 HydrophobicContact CD2-SD 4.22Å; L135-M138 WeakPolarHBondContact O-CB 3.27Å; L135-M138 WeakPolarHBondContact O-CG 3.46Å; L135-M138 PolarHBondContact O-N 3.26Å; M138-P140 VanDerWaalsContact C-C 3.46Å; M138-P140 CarbonylContact C-O 3.6Å; M138-P140 VanDerWaalsContact C-O 3.32Å; M138-P140 CarbonylContact O-C 3.55Å; M138-P141 VanDerWaalsContact O-CA 3.25Å; M138-P141 WeakPolarHBondContact O-CA 3.47Å; M138-P141 WeakPolarHBondContact O-CD 3.39Å; M138-L142 HydrophobicContact SD-CB 3.93Å; M138-L142 HydrophobicContact SD-CD2 3.87Å; M138-W170 HydrophobicContact CB-CZ3 4.29Å; M138-W170 HydrophobicContact CE-CH2 3.81Å; M138-W170 HydrophobicContact CE-CZ3 4.16Å; M138-W170 HydrophobicContact SD-CH2 4.12Å; M138-W170 HydrophobicContact SD-CZ3 4.12Å
139	N	88.8	Confident	94.5	Very high	153 Å²	153	27.4 Å²	27.4	82%	0.818	14%	0.142	S	C	*	.	S	Bend	trans	-121.4	109.5	176.1	-175.4	33.4	0	0	0	111.7
140	P	89.8	Confident	94.3	Very high	32 Å²	32	30.2 Å²	30.2	21%	0.208	16%	0.155	C	C	.	.	S	Bend	cis	-67.1	160.8	-5.9	30.2	-35.6	0	0	0	112.2	M138 L142 W170 M172	M138-P140 VanDerWaalsContact C-C 3.46Å; M138-P140 CarbonylContact C-O 3.6Å; M138-P140 VanDerWaalsContact C-O 3.32Å; M138-P140 CarbonylContact O-C 3.55Å; P140-L142 PolarHBondContact O-N 3.45Å; P140-W170 HydrophobicContact CG-CB 4.17Å; P140-W170 HydrophobicContact CG-CD2 4.44Å; P140-W170 HydrophobicContact CG-CE3 3.96Å; P140-W170 VanDerWaalsContact O-CE3 3.25Å; P140-W170 WeakPolarHBondContact O-CZ3 3.48Å; P140-M172 HydrophobicContact CB-CB 4.14Å; P140-M172 HydrophobicContact CB-CE 4.09Å; P140-M172 HydrophobicContact CB-CG 3.9Å
141	P	90.1	Very high	94.2	Very high	29 Å²	29	28.9 Å²	28.9	19%	0.188	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-58.1	138.8	176.4	-30.3	37.4	0	0	0	112.7	H136 M138 R171	H136-P141 WeakPolarHBondContact O-CB 3.14Å; M138-P141 VanDerWaalsContact O-CA 3.25Å; M138-P141 WeakPolarHBondContact O-CA 3.47Å; M138-P141 WeakPolarHBondContact O-CD 3.39Å; P141-R171 HydrophobicContact CB-CB 4.14Å; P141-R171 WeakPolarHBondContact O-CB 3.42Å; P141-R171 PolarHBondContact O-N 3.42Å
142	L	91.3	Very high	94.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.1	174.2	-177.8	53	0	0	0	109.1	I69 A73 L135 H136 M138 P140 F165 W170	I69-L142 HydrophobicContact CG2-CD1 4.08Å; I69-L142 HydrophobicContact CG2-CD2 3.63Å; I69-L142 HydrophobicContact CG2-CG 4.48Å; A73-L142 HydrophobicContact CB-CD2 3.91Å; L135-L142 CarbonylContact C-O 3.32Å; L135-L142 HydrophobicContact CB-CB 4.32Å; L135-L142 HydrophobicContact CD2-CD2 3.85Å; L135-L142 HydrophobicContact CD2-CG 4.39Å; L135-L142 PolarHBondContact O-N 2.94Å; H136-L142 PolarHBondContact CD2-O 3.32Å; M138-L142 HydrophobicContact SD-CB 3.93Å; M138-L142 HydrophobicContact SD-CD2 3.87Å; P140-L142 PolarHBondContact O-N 3.45Å; L142-F165 HydrophobicContact CD2-CD1 4.34Å; L142-F165 HydrophobicContact CD2-CE1 4.22Å; L142-W170 HydrophobicContact CB-CE3 3.89Å; L142-W170 HydrophobicContact CB-CH2 4.25Å; L142-W170 HydrophobicContact CB-CZ3 3.66Å; L142-W170 HydrophobicContact CD1-CD2 4.11Å; L142-W170 HydrophobicContact CD1-CE3 4.15Å; L142-W170 HydrophobicContact CD1-CH2 4.49Å; L142-W170 HydrophobicContact CD1-CZ2 4.44Å; L142-W170 HydrophobicContact CD1-CZ3 4.36Å; L142-W170 HydrophobicContact CD2-CH2 3.92Å; L142-W170 HydrophobicContact CD2-CZ2 4.3Å; L142-W170 HydrophobicContact CD2-CZ3 4.2Å; L142-W170 HydrophobicContact CG-CE3 4.48Å; L142-W170 HydrophobicContact CG-CH2 4.47Å; L142-W170 HydrophobicContact CG-CZ3 4.3Å
143	L	91.1	Very high	94.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134	178.9	-55.6	176	0	0	0	109	S168 K169 R171 A206 V208	L143-S168 CarbonylContact O-C 3.56Å; L143-S168 WeakPolarHBondContact O-CA 3.46Å; L143-S168 VanDerWaalsContact O-CB 3.22Å; L143-S168 WeakPolarHBondContact O-CB 3.32Å; L143-K169 PolarHBondContact N-O 2.86Å; L143-K169 VanDerWaalsContact N-O 3.14Å; L143-K169 PolarHBondContact O-N 3.07Å; L143-R171 HydrophobicContact CD1-CG 4.47Å; L143-A206 HydrophobicContact CD1-CB 3.83Å; L143-A206 WeakPolarHBondContact CD1-O 3.3Å; L143-V208 HydrophobicContact CD2-CB 4.36Å; L143-V208 HydrophobicContact CD2-CG1 3.63Å
144	H	93.1	Very high	94.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.			trans	-79	-49	-170.3	-162.6	-86.4	0	0	0	112.2	D146 L147 I162 A163 F165 S168 D211	H144-D146 PolarHBondContact CE1-O 2.92Å; H144-D146 VanDerWaalsContact ND1-C 3.32Å; H144-D146 PolarHBondContact ND1-O 3.3Å; H144-D146 PolarHBondContact O-N 3.37Å; H144-D146 VanDerWaalsContact O-N 3.12Å; H144-L147 HydrophobicContact CB-CD1 4.34Å; H144-L147 HydrophobicContact CB-CD2 4.14Å; H144-L147 HydrophobicContact CB-CG 3.86Å; H144-L147 PolarHBondContact ND1-N 2.67Å; H144-I162 VanDerWaalsContact NE2-CG2 3.34Å; H144-I162 WeakPolarHBondContact NE2-CG2 3.29Å; H144-A163 PolarHBondContact CE1-O 3.04Å; H144-A163 PolarHBondContact NE2-O 2.93Å; H144-F165 AromaticContact CD2-CE1 3.68Å; H144-F165 AromaticContact CD2-CZ 3.85Å; H144-F165 AromaticContact NE2-CZ 3.96Å; H144-S168 WeakPolarHBondContact CA-OG 3.38Å; H144-S168 WeakPolarHBondContact O-CA 3.48Å; H144-S168 PolarHBondContact O-OG 3.2Å; H144-D211 PolarHBondContact N-OD1 2.77Å; H144-D211 PolarHBondContact N-OD2 2.87Å
145	H	89.8	Confident	94.2	Very high	23 Å²	23	27.3 Å²	27.3	11%	0.106	14%	0.144	C	C	.	.	S	Bend	trans	62.3	-2.6	-179.8	-56.6	136.5	0	0	0	118.1	L167 H210 D211	H145-L167 PolarHBondContact ND1-O 3.04Å; H145-H210 AromaticContact CD2-CD2 3.95Å; H145-H210 AromaticContact CD2-CG 3.85Å; H145-H210 PolarHBondContact O-NE2 3.09Å; H145-D211 PolarHBondContact N-OD1 2.99Å
146	D	89.9	Confident	94.2	Very high	10 Å²	10	30.7 Å²	30.7	5%	0.053	16%	0.162	C	C	.	.			trans	-140.7	50.7	172.5	-169.6	39	0	0	0	111	H144 K148 N151 L167	H144-D146 PolarHBondContact CE1-O 2.92Å; H144-D146 VanDerWaalsContact ND1-C 3.32Å; H144-D146 PolarHBondContact ND1-O 3.3Å; H144-D146 PolarHBondContact O-N 3.37Å; H144-D146 VanDerWaalsContact O-N 3.12Å; D146-K148 IonicContact OD1-NZ 3.46Å; D146-K148 PolarHBondContact OD1-NZ 3.06Å; D146-K148 WeakPolarHBondContact OD2-CE 3.46Å; D146-K148 IonicContact OD2-NZ 2.7Å; D146-K148 PolarHBondContact OD2-NZ 3.29Å; D146-N151 PolarHBondContact O-ND2 3.29Å; D146-N151 PolarHBondContact OD2-ND2 3.49Å; D146-L167 HydrophobicContact CB-CB 4.3Å; D146-L167 HydrophobicContact CB-CD1 3.85Å
147	L	95.2	Very high	94.3	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.176	C	C	.	.			trans	-76.2	122.5	171.7	-72.7	172.7	0	0	0	109.4	V132 H144 I152 I162 Y192 D211 S214 I218	V132-L147 HydrophobicContact CG1-CD1 4.24Å; V132-L147 HydrophobicContact CG2-CD1 3.63Å; V132-L147 HydrophobicContact CG2-CD2 4.07Å; H144-L147 HydrophobicContact CB-CD1 4.34Å; H144-L147 HydrophobicContact CB-CD2 4.14Å; H144-L147 HydrophobicContact CB-CG 3.86Å; H144-L147 PolarHBondContact ND1-N 2.67Å; L147-I152 HydrophobicContact CD2-CD1 4.3Å; L147-I162 HydrophobicContact CD2-CG2 3.95Å; L147-Y192 WeakPolarHBondContact O-CB 3.17Å; L147-D211 HydrophobicContact CD1-CB 3.7Å; L147-S214 WeakPolarHBondContact O-CB 3.31Å; L147-I218 HydrophobicContact CB-CD1 4.19Å
148	K	94.8	Very high	94.4	Very high	27 Å²	27	28.2 Å²	28.2	12%	0.117	15%	0.147	C	C	.	.			trans	-159	157.5	-179.8	59.5	-171.4	-176	-139.5	0	109.5	D146 Q150 N151 I152 T189 Y192	D146-K148 IonicContact OD1-NZ 3.46Å; D146-K148 PolarHBondContact OD1-NZ 3.06Å; D146-K148 WeakPolarHBondContact OD2-CE 3.46Å; D146-K148 IonicContact OD2-NZ 2.7Å; D146-K148 PolarHBondContact OD2-NZ 3.29Å; K148-Q150 VanDerWaalsContact CB-OE1 3.29Å; K148-Q150 VanDerWaalsContact CD-OE1 3.29Å; K148-Q150 HydrophobicContact CG-CB 4.44Å; K148-Q150 PolarHBondContact O-N 2.95Å; K148-N151 WeakPolarHBondContact CE-ND2 3.25Å; K148-N151 VanDerWaalsContact CE-OD1 3.26Å; K148-N151 WeakPolarHBondContact CE-OD1 3.28Å; K148-N151 HydrophobicContact CG-CB 3.92Å; K148-N151 PolarHBondContact O-N 2.89Å; K148-I152 PolarHBondContact O-N 3.46Å; K148-T189 WeakPolarHBondContact CD-OG1 3.3Å; K148-Y192 HydrophobicContact CB-CD1 4.33Å; K148-Y192 HydrophobicContact CB-CD2 3.39Å; K148-Y192 HydrophobicContact CB-CE1 4.33Å; K148-Y192 HydrophobicContact CB-CE2 3.37Å; K148-Y192 HydrophobicContact CB-CG 3.9Å
149	T	97.7	Very high	94.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.6	-174.4	54	0	0	0	0	113.9	L103 N104 L107 Y192 I218 E221	L103-T149 WeakPolarHBondContact CB-O 3.27Å; L103-T149 HydrophobicContact CD2-CG2 4.05Å; L103-T149 HydrophobicContact CG-CG2 4.21Å; L103-T149 PolarHBondContact N-O 3.33Å; N104-T149 PolarHBondContact N-O 2.77Å; L107-T149 HydrophobicContact CD1-CG2 4.06Å; T149-Y192 PolarHBondContact OG1-OH 2.99Å; T149-Y192 VanDerWaalsContact OG1-OH 3.11Å; T149-I218 HydrophobicContact CG2-CB 4.42Å; T149-I218 HydrophobicContact CG2-CG1 3.97Å; T149-I218 HydrophobicContact CG2-CG2 4.02Å; T149-E221 WeakPolarHBondContact CB-OE1 3.2Å; T149-E221 HydrophobicContact CG2-CG 4.32Å; T149-E221 WeakPolarHBondContact CG2-OE1 3.42Å; T149-E221 WeakPolarHBondContact CG2-OE2 3.45Å; T149-E221 PolarHBondContact OG1-OE1 3.2Å
150	Q	94.9	Very high	95.1	Very high	58 Å²	58	22.4 Å²	22.4	27%	0.271	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-26.5	172	-51.7	75.8	28.3	0	0	112.6	N104 K148	N104-Q150 HydrophobicContact CB-CB 4.46Å; N104-Q150 HydrophobicContact CB-CG 3.82Å; N104-Q150 PolarHBondContact OD1-NE2 3.15Å; K148-Q150 VanDerWaalsContact CB-OE1 3.29Å; K148-Q150 VanDerWaalsContact CD-OE1 3.29Å; K148-Q150 HydrophobicContact CG-CB 4.44Å; K148-Q150 PolarHBondContact O-N 2.95Å
151	N	96.5	Very high	95.5	Very high	14 Å²	14	22.1 Å²	22.1	8%	0.075	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-4.3	-180	-72.5	4.6	0	0	0	113	D146 K148 A163	D146-N151 PolarHBondContact O-ND2 3.29Å; D146-N151 PolarHBondContact OD2-ND2 3.49Å; K148-N151 WeakPolarHBondContact CE-ND2 3.25Å; K148-N151 VanDerWaalsContact CE-OD1 3.26Å; K148-N151 WeakPolarHBondContact CE-OD1 3.28Å; K148-N151 HydrophobicContact CG-CB 3.92Å; K148-N151 PolarHBondContact O-N 2.89Å; N151-A163 WeakPolarHBondContact CB-O 3.44Å; N151-A163 PolarHBondContact O-N 2.85Å
152	I	98.6	Very high	95.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	101.8	168.4	-53.4	-51.5	0	0	0	107.4	S102 L103 I128 L147 K148 V160 I162	S102-I152 CarbonylContact C-O 3.59Å; S102-I152 WeakPolarHBondContact CA-O 3.22Å; L103-I152 HydrophobicContact CB-CB 3.88Å; L103-I152 HydrophobicContact CB-CG2 3.98Å; L103-I152 HydrophobicContact CD2-CB 4.12Å; L103-I152 HydrophobicContact CD2-CG1 4.38Å; L103-I152 HydrophobicContact CD2-CG2 3.94Å; L103-I152 PolarHBondContact N-O 3.32Å; I128-I152 HydrophobicContact CD1-CD1 4.38Å; I128-I152 HydrophobicContact CD1-CG1 4.09Å; I128-I152 HydrophobicContact CD1-CG2 3.98Å; I128-I152 HydrophobicContact CG1-CD1 4.1Å; I128-I152 HydrophobicContact CG1-CG1 4.29Å; I128-I152 HydrophobicContact CG1-CG2 3.93Å; I128-I152 HydrophobicContact CG2-CD1 4.24Å; L147-I152 HydrophobicContact CD2-CD1 4.3Å; K148-I152 PolarHBondContact O-N 3.46Å; I152-V160 HydrophobicContact CG2-CB 4.47Å; I152-V160 HydrophobicContact CG2-CG1 3.84Å; I152-V160 HydrophobicContact CG2-CG2 4.02Å; I152-I162 HydrophobicContact CD1-CG1 4.01Å
153	L	98.6	Very high	96.1	Very high	38 Å²	38	21.1 Å²	21.1	20%	0.199	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	160.9	178.4	-54.6	-176.2	0	0	0	111.8	L79 M98 G101 K161 A163	L79-L153 HydrophobicContact CD1-CD1 4.35Å; L79-L153 HydrophobicContact CD2-CD1 4.06Å; M98-L153 HydrophobicContact CB-CB 4.04Å; M98-L153 HydrophobicContact CB-CD1 4.35Å; M98-L153 HydrophobicContact CG-CB 3.77Å; M98-L153 HydrophobicContact CG-CD1 3.95Å; G101-L153 CarbonylContact O-C 3.37Å; G101-L153 VanDerWaalsContact O-CA 3.3Å; G101-L153 WeakPolarHBondContact O-CA 3.41Å; L153-K161 HydrophobicContact CB-CB 4.49Å; L153-K161 WeakPolarHBondContact CB-O 3.37Å; L153-K161 PolarHBondContact N-O 3.04Å; L153-K161 PolarHBondContact O-N 3.27Å; L153-A163 HydrophobicContact CD1-CB 3.74Å; L153-A163 HydrophobicContact CG-CB 3.91Å
154	L	98.6	Very high	95.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.8	-174.3	-64.8	167.7	0	0	0	111.1	N100 G101 L106 I124 F158	N100-L154 HydrophobicContact CB-CB 3.73Å; N100-L154 PolarHBondContact N-O 3.15Å; G101-L154 PolarHBondContact O-N 3.04Å; L106-L154 HydrophobicContact CB-CD1 3.9Å; L106-L154 HydrophobicContact CD2-CD1 3.73Å; L106-L154 HydrophobicContact CG-CD1 4.44Å; I124-L154 HydrophobicContact CD1-CD2 4.31Å; I124-L154 HydrophobicContact CG1-CD2 4.46Å; L154-F158 HydrophobicContact CD1-CD1 4.2Å
155	D	97.9	Very high	95.6	Very high	25 Å²	25	22.4 Å²	22.4	13%	0.134	11%	0.111	C	C	.	.			trans	-74.1	-178.1	173.8	70.9	23.2	0	0	0	112.2	M98 N100 E157 F158 H159 K161	M98-D155 HydrophobicContact CE-CB 4.5Å; M98-D155 HydrophobicContact SD-CB 3.79Å; N100-D155 PolarHBondContact ND2-O 3.25Å; D155-E157 PolarHBondContact O-N 3.49Å; D155-E157 VanDerWaalsContact O-N 3.16Å; D155-E157 PolarHBondContact OD1-N 2.87Å; D155-E157 VanDerWaalsContact OD1-N 3.09Å; D155-F158 PolarHBondContact O-N 3.1Å; D155-F158 PolarHBondContact OD1-N 2.71Å; D155-H159 PolarHBondContact N-O 3.3Å; D155-H159 PolarHBondContact OD1-N 3.28Å; D155-H159 WeakPolarHBondContact OD2-CB 3.44Å; D155-K161 WeakPolarHBondContact OD2-CE 3.23Å; D155-K161 IonicContact OD2-NZ 2.72Å; D155-K161 PolarHBondContact OD2-NZ 3.22Å; D155-K161 VanDerWaalsContact OD2-NZ 3.08Å
156	N	96.6	Very high	95	Very high	72 Å²	72	23.5 Å²	23.5	39%	0.385	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.3	-174.3	-171.9	72	0	0	0	113.5	P99 N100 K310	P99-N156 HydrophobicContact CG-CB 3.81Å; N100-N156 PolarHBondContact ND2-O 3.05Å; N156-K310 PolarHBondContact ND2-NZ 2.9Å; N156-K310 WeakPolarHBondContact O-CE 3.41Å; N156-K310 PolarHBondContact O-NZ 2.9Å; N156-K310 VanDerWaalsContact O-NZ 3.11Å
157	E	96.9	Very high	94.1	Very high	82 Å²	82	25.3 Å²	25.3	38%	0.383	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	8	179.8	-82.5	48.8	-107	0	0	112	R123 D155 H159 V306 K310	R123-E157 PolarHBondContact NH2-O 3.42Å; D155-E157 PolarHBondContact O-N 3.49Å; D155-E157 VanDerWaalsContact O-N 3.16Å; D155-E157 PolarHBondContact OD1-N 2.87Å; D155-E157 VanDerWaalsContact OD1-N 3.09Å; E157-H159 VanDerWaalsContact C-N 3.27Å; E157-H159 PolarHBondContact O-N 2.99Å; E157-V306 WeakPolarHBondContact O-CG2 3.44Å; E157-K310 IonicContact OE1-NZ 3.2Å; E157-K310 PolarHBondContact OE1-NZ 2.93Å
158	F	97.9	Very high	93.2	Very high	1 Å²	1	25.3 Å²	25.3	0%	0.004	14%	0.137	C	C	.	.			trans	58.4	33.9	-173	-60.7	-101.1	0	0	0	113	N100 L106 L120 R123 L154 D155 V306 L309 K310	N100-F158 HydrophobicContact CB-CD1 3.95Å; N100-F158 HydrophobicContact CB-CE1 3.71Å; N100-F158 HydrophobicContact CB-CZ 4.08Å; N100-F158 VanDerWaalsContact CG-CZ 3.41Å; N100-F158 WeakPolarHBondContact ND2-CE2 3.26Å; N100-F158 WeakPolarHBondContact OD1-CZ 3.23Å; L106-F158 HydrophobicContact CD1-CE1 4.18Å; L106-F158 HydrophobicContact CD2-CD1 4.18Å; L120-F158 HydrophobicContact CD1-CB 4.11Å; L120-F158 HydrophobicContact CD2-CB 4.3Å; R123-F158 PolarHBondContact NH2-O 3.04Å; L154-F158 HydrophobicContact CD1-CD1 4.2Å; D155-F158 PolarHBondContact O-N 3.1Å; D155-F158 PolarHBondContact OD1-N 2.71Å; F158-V306 HydrophobicContact CB-CG2 4.42Å; F158-V306 HydrophobicContact CD2-CG1 4.15Å; F158-V306 HydrophobicContact CD2-CG2 4.34Å; F158-L309 HydrophobicContact CD1-CD1 3.88Å; F158-L309 HydrophobicContact CD2-CD1 4.4Å; F158-L309 HydrophobicContact CE1-CB 4.22Å; F158-L309 HydrophobicContact CE1-CD1 3.74Å; F158-L309 HydrophobicContact CE2-CB 3.85Å; F158-L309 HydrophobicContact CE2-CD1 4.27Å; F158-L309 HydrophobicContact CG-CD1 4.23Å; F158-L309 HydrophobicContact CZ-CB 3.61Å; F158-L309 HydrophobicContact CZ-CD1 3.94Å; F158-L309 HydrophobicContact CZ-CG 4.46Å; F158-K310 HydrophobicContact CE2-CG 4.12Å
159	H	98.7	Very high	92.1	Very high	59 Å²	59	28.3 Å²	28.3	27%	0.273	15%	0.15	S	C	.	.			trans	-84.3	151.1	163.1	-65.6	-80.1	0	0	0	110.3	R123 E127 D155 E157	R123-H159 PolarHBondContact NH1-CE1 3.4Å; R123-H159 VanDerWaalsContact NH1-CE1 3.33Å; E127-H159 IonicContact OE1-CE1 2.77Å; E127-H159 IonicContact OE1-CG 2.71Å; E127-H159 IonicContact OE1-ND1 2.72Å; E127-H159 PolarHBondContact OE1-ND1 3.46Å; E127-H159 VanDerWaalsContact OE2-CA 3.28Å; E127-H159 WeakPolarHBondContact OE2-CA 3.23Å; E127-H159 WeakPolarHBondContact OE2-CB 3.44Å; E127-H159 IonicContact OE2-CG 2.64Å; E127-H159 IonicContact OE2-ND1 2.71Å; D155-H159 PolarHBondContact N-O 3.3Å; D155-H159 PolarHBondContact OD1-N 3.28Å; D155-H159 WeakPolarHBondContact OD2-CB 3.44Å; E157-H159 VanDerWaalsContact C-N 3.27Å; E157-H159 PolarHBondContact O-N 2.99Å
160	V	98.8	Very high	90.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	138.1	-174.1	164.5	0	0	0	0	112.1	Y77 I124 E127 I128 I152 I162	Y77-V160 VanDerWaalsContact CA-O 3.28Å; Y77-V160 WeakPolarHBondContact CA-O 2.87Å; I124-V160 HydrophobicContact CB-CG2 4.24Å; I124-V160 HydrophobicContact CG1-CG2 4.24Å; I124-V160 HydrophobicContact CG2-CG2 3.93Å; E127-V160 HydrophobicContact CB-CB 3.82Å; E127-V160 HydrophobicContact CB-CG2 3.96Å; E127-V160 PolarHBondContact OE2-N 3.46Å; I128-V160 HydrophobicContact CG1-CG1 3.91Å; I128-V160 HydrophobicContact CG1-CG2 4.05Å; I152-V160 HydrophobicContact CG2-CB 4.47Å; I152-V160 HydrophobicContact CG2-CG1 3.84Å; I152-V160 HydrophobicContact CG2-CG2 4.02Å; V160-I162 HydrophobicContact CG1-CG1 4.1Å
161	K	98.8	Very high	88.7	Confident	26 Å²	26	32.4 Å²	32.4	11%	0.113	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	112.5	160.5	-48.9	-62.5	160.1	-176.7	0	110.1	S76 Y77 L79 M98 L153 D155	S76-K161 PolarHBondContact O-NZ 3.44Å; Y77-K161 WeakPolarHBondContact O-CA 3.46Å; L79-K161 HydrophobicContact CB-CB 4.29Å; L79-K161 HydrophobicContact CD1-CB 4.32Å; M98-K161 HydrophobicContact CE-CG 4.07Å; M98-K161 HydrophobicContact SD-CB 4.2Å; M98-K161 HydrophobicContact SD-CG 3.52Å; M98-K161 VanDerWaalsContact SD-CG 3.52Å; L153-K161 HydrophobicContact CB-CB 4.49Å; L153-K161 WeakPolarHBondContact CB-O 3.37Å; L153-K161 PolarHBondContact N-O 3.04Å; L153-K161 PolarHBondContact O-N 3.27Å; D155-K161 WeakPolarHBondContact OD2-CE 3.23Å; D155-K161 IonicContact OD2-NZ 2.72Å; D155-K161 PolarHBondContact OD2-NZ 3.22Å; D155-K161 VanDerWaalsContact OD2-NZ 3.08Å
162	I	98.6	Very high	86.6	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	134.8	175.3	-58.1	175.7	0	0	0	109.6	Y77 I78 L79 V132 H144 L147 I152 V160 F165	Y77-I162 WeakPolarHBondContact O-CG1 3.49Å; Y77-I162 PolarHBondContact O-N 2.98Å; I78-I162 HydrophobicContact CD1-CB 3.98Å; I78-I162 HydrophobicContact CD1-CD1 4.06Å; I78-I162 HydrophobicContact CD1-CG1 4.38Å; L79-I162 WeakPolarHBondContact CB-O 3.45Å; L79-I162 PolarHBondContact N-O 3.25Å; V132-I162 HydrophobicContact CG2-CD1 3.68Å; H144-I162 VanDerWaalsContact NE2-CG2 3.34Å; H144-I162 WeakPolarHBondContact NE2-CG2 3.29Å; L147-I162 HydrophobicContact CD2-CG2 3.95Å; I152-I162 HydrophobicContact CD1-CG1 4.01Å; V160-I162 HydrophobicContact CG1-CG1 4.1Å; I162-F165 HydrophobicContact CG2-CE2 4.44Å; I162-F165 HydrophobicContact CG2-CZ 4.25Å
163	A	95.5	Very high	83.9	Confident	7 Å²	7	43.1 Å²	43.1	6%	0.058	22%	0.216	C	C	.	.			trans	-140.1	174	-172	0	0	0	0	0	113.6	L79 H144 N151 L153	L79-A163 HydrophobicContact CB-CB 4.13Å; L79-A163 HydrophobicContact CD2-CB 3.71Å; H144-A163 PolarHBondContact CE1-O 3.04Å; H144-A163 PolarHBondContact NE2-O 2.93Å; N151-A163 WeakPolarHBondContact CB-O 3.44Å; N151-A163 PolarHBondContact O-N 2.85Å; L153-A163 HydrophobicContact CD1-CB 3.74Å; L153-A163 HydrophobicContact CG-CB 3.91Å
164	D	87.1	Confident	81.4	Confident	27 Å²	27	43.2 Å²	43.2	14%	0.144	22%	0.22	C	C	.	.			trans	58.8	79.7	-175.7	-159.6	0.9	0	0	0	114.5	S29 K47 G166	S29-D164 WeakPolarHBondContact CB-OD2 3.48Å; S29-D164 PolarHBondContact OG-OD1 3.11Å; S29-D164 PolarHBondContact OG-OD2 3.41Å; K47-D164 IonicContact NZ-OD1 3.77Å; K47-D164 PolarHBondContact NZ-OD1 3.06Å; D164-G166 VanDerWaalsContact C-N 3.3Å; D164-G166 PolarHBondContact O-N 3.12Å
165	F	85.9	Confident	78.6	Confident	1 Å²	1	49.2 Å²	49.2	0%	0.004	25%	0.251	C	S	.	.			trans	-90.3	12.4	-177.9	-75.6	-102	0	0	0	113.1	E66 I69 L70 I78 L135 L142 H144 I162 L167 S168	E66-F165 HydrophobicContact CG-CB 3.93Å; E66-F165 PolarHBondContact OE1-N 3.38Å; E66-F165 VanDerWaalsContact OE1-N 3.13Å; I69-F165 HydrophobicContact CG2-CB 3.87Å; I69-F165 HydrophobicContact CG2-CD1 3.6Å; I69-F165 HydrophobicContact CG2-CE1 4.47Å; I69-F165 HydrophobicContact CG2-CG 3.98Å; L70-F165 HydrophobicContact CD2-CD2 3.43Å; L70-F165 VanDerWaalsContact CD2-CD2 3.43Å; L70-F165 HydrophobicContact CD2-CE2 3.6Å; L70-F165 HydrophobicContact CD2-CG 4.3Å; L70-F165 HydrophobicContact CG-CD2 3.97Å; L70-F165 HydrophobicContact CG-CG 4.44Å; I78-F165 HydrophobicContact CD1-CZ 4.37Å; I78-F165 HydrophobicContact CG2-CE2 3.89Å; I78-F165 HydrophobicContact CG2-CZ 3.69Å; L135-F165 HydrophobicContact CD1-CE1 3.84Å; L135-F165 HydrophobicContact CD1-CZ 4.12Å; L135-F165 HydrophobicContact CD2-CE1 3.89Å; L135-F165 HydrophobicContact CD2-CZ 4.24Å; L142-F165 HydrophobicContact CD2-CD1 4.34Å; L142-F165 HydrophobicContact CD2-CE1 4.22Å; H144-F165 AromaticContact CD2-CE1 3.68Å; H144-F165 AromaticContact CD2-CZ 3.85Å; H144-F165 AromaticContact NE2-CZ 3.96Å; I162-F165 HydrophobicContact CG2-CE2 4.44Å; I162-F165 HydrophobicContact CG2-CZ 4.25Å; F165-L167 PolarHBondContact O-N 3.31Å; F165-S168 WeakPolarHBondContact CA-OG 3.49Å; F165-S168 WeakPolarHBondContact CD1-OG 3.2Å; F165-S168 VanDerWaalsContact O-CB 3.25Å; F165-S168 WeakPolarHBondContact O-CB 3.32Å; F165-S168 PolarHBondContact O-N 3.31Å; F165-S168 PolarHBondContact O-OG 3.43Å
166	G	77.1	Confident	75.8	Confident	45 Å²	45	52.4 Å²	52.4	46%	0.464	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.3	-175.2	0	0	0	0	0	114.4	D164	D164-G166 VanDerWaalsContact C-N 3.3Å; D164-G166 PolarHBondContact O-N 3.12Å
167	L	71.1	Confident	72.9	Confident	49 Å²	49	55.8 Å²	55.8	26%	0.257	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-0.1	177.8	-65.5	170.7	0	0	0	113.6	H145 D146 F165 K169	H145-L167 PolarHBondContact ND1-O 3.04Å; D146-L167 HydrophobicContact CB-CB 4.3Å; D146-L167 HydrophobicContact CB-CD1 3.85Å; F165-L167 PolarHBondContact O-N 3.31Å; L167-K169 WeakPolarHBondContact O-CE 3.49Å
168	S	76.1	Confident	70.1	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.29	C	S	.	.			trans	-75	145.4	-173.8	-56.9	0	0	0	0	113.6	R65 L143 H144 F165	R65-S168 PolarHBondContact NH2-O 3.41Å; L143-S168 CarbonylContact O-C 3.56Å; L143-S168 WeakPolarHBondContact O-CA 3.46Å; L143-S168 VanDerWaalsContact O-CB 3.22Å; L143-S168 WeakPolarHBondContact O-CB 3.32Å; H144-S168 WeakPolarHBondContact CA-OG 3.38Å; H144-S168 WeakPolarHBondContact O-CA 3.48Å; H144-S168 PolarHBondContact O-OG 3.2Å; F165-S168 WeakPolarHBondContact CA-OG 3.49Å; F165-S168 WeakPolarHBondContact CD1-OG 3.2Å; F165-S168 VanDerWaalsContact O-CB 3.25Å; F165-S168 WeakPolarHBondContact O-CB 3.32Å; F165-S168 PolarHBondContact O-N 3.31Å; F165-S168 PolarHBondContact O-OG 3.43Å
169	K	72.6	Confident	67.4	Low	91 Å²	91	65.7 Å²	65.7	40%	0.396	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	128.5	-169.9	-60.2	171.9	-171.1	166.5	0	111.9	L143 L167	L143-K169 PolarHBondContact N-O 2.86Å; L143-K169 VanDerWaalsContact N-O 3.14Å; L143-K169 PolarHBondContact O-N 3.07Å; L167-K169 WeakPolarHBondContact O-CE 3.49Å
170	W	63	Low	64.3	Low	25 Å²	25	70.6 Å²	70.6	10%	0.095	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	126.2	168.4	-61.1	110.4	0	0	0	110.1	I69 K72 M138 P140 L142 M172 M173 S174	I69-W170 HydrophobicContact CG1-CZ2 4.23Å; K72-W170 HydrophobicContact CB-CH2 4.25Å; K72-W170 HydrophobicContact CB-CZ2 4.3Å; K72-W170 HydrophobicContact CD-CH2 4.47Å; K72-W170 HydrophobicContact CD-CZ2 3.99Å; M138-W170 HydrophobicContact CB-CZ3 4.29Å; M138-W170 HydrophobicContact CE-CH2 3.81Å; M138-W170 HydrophobicContact CE-CZ3 4.16Å; M138-W170 HydrophobicContact SD-CH2 4.12Å; M138-W170 HydrophobicContact SD-CZ3 4.12Å; P140-W170 HydrophobicContact CG-CB 4.17Å; P140-W170 HydrophobicContact CG-CD2 4.44Å; P140-W170 HydrophobicContact CG-CE3 3.96Å; P140-W170 VanDerWaalsContact O-CE3 3.25Å; P140-W170 WeakPolarHBondContact O-CZ3 3.48Å; L142-W170 HydrophobicContact CB-CE3 3.89Å; L142-W170 HydrophobicContact CB-CH2 4.25Å; L142-W170 HydrophobicContact CB-CZ3 3.66Å; L142-W170 HydrophobicContact CD1-CD2 4.11Å; L142-W170 HydrophobicContact CD1-CE3 4.15Å; L142-W170 HydrophobicContact CD1-CH2 4.49Å; L142-W170 HydrophobicContact CD1-CZ2 4.44Å; L142-W170 HydrophobicContact CD1-CZ3 4.36Å; L142-W170 HydrophobicContact CD2-CH2 3.92Å; L142-W170 HydrophobicContact CD2-CZ2 4.3Å; L142-W170 HydrophobicContact CD2-CZ3 4.2Å; L142-W170 HydrophobicContact CG-CE3 4.48Å; L142-W170 HydrophobicContact CG-CH2 4.47Å; L142-W170 HydrophobicContact CG-CZ3 4.3Å; W170-M172 VanDerWaalsContact C-N 3.32Å; W170-M172 PolarHBondContact O-N 3.02Å; W170-M173 HydrophobicContact CB-CB 4.42Å; W170-M173 HydrophobicContact CB-CG 4.37Å; W170-M173 HydrophobicContact CB-SD 4.11Å; W170-M173 HydrophobicContact CG-SD 4.29Å; W170-M173 PolarHBondContact O-N 2.86Å; W170-S174 PolarHBondContact O-N 3.04Å; W170-S174 PolarHBondContact O-OG 3.27Å
171	R	57.6	Low	61.2	Low	119 Å²	119	75.4 Å²	75.4	45%	0.449	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-34.7	-169.1	-164.7	175.7	-177.2	-161.6	-1	114	P141 L143	P141-R171 HydrophobicContact CB-CB 4.14Å; P141-R171 WeakPolarHBondContact O-CB 3.42Å; P141-R171 PolarHBondContact O-N 3.42Å; L143-R171 HydrophobicContact CD1-CG 4.47Å
172	M	52.2	Low	58.3	Low	123 Å²	123	84.6 Å²	84.6	61%	0.606	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-37.4	179.2	-69.7	-151.9	-63.2	0	0	114	P140 W170 S174 L175	P140-M172 HydrophobicContact CB-CB 4.14Å; P140-M172 HydrophobicContact CB-CE 4.09Å; P140-M172 HydrophobicContact CB-CG 3.9Å; W170-M172 VanDerWaalsContact C-N 3.32Å; W170-M172 PolarHBondContact O-N 3.02Å; M172-S174 PolarHBondContact O-N 2.73Å; M172-L175 PolarHBondContact O-N 2.96Å
173	M	42.8	Very low	55.2	Low	116 Å²	116	88 Å²	88	57%	0.571	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-64.9	-28.5	179.1	-72.1	175	160.2	0	0	112.5	W170 L175 S176 Q177	W170-M173 HydrophobicContact CB-CB 4.42Å; W170-M173 HydrophobicContact CB-CG 4.37Å; W170-M173 HydrophobicContact CB-SD 4.11Å; W170-M173 HydrophobicContact CG-SD 4.29Å; W170-M173 PolarHBondContact O-N 2.86Å; M173-L175 PolarHBondContact O-N 2.82Å; M173-S176 PolarHBondContact O-N 3.16Å; M173-S176 PolarHBondContact O-OG 2.74Å; M173-Q177 PolarHBondContact O-N 3.33Å
174	S	46.6	Very low	52.4	Low	40 Å²	40	90.7 Å²	90.7	28%	0.28	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-65.4	-20.1	178.6	-58.6	0	0	0	0	113.8	W170 M172	W170-S174 PolarHBondContact O-N 3.04Å; W170-S174 PolarHBondContact O-OG 3.27Å; M172-S174 PolarHBondContact O-N 2.73Å
175	L	40	Very low	50.2	Low	126 Å²	126	93.1 Å²	93.1	66%	0.66	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-77.7	-29.1	-179.9	-71.5	166.8	0	0	0	113.3	M172 M173	M172-L175 PolarHBondContact O-N 2.96Å; M173-L175 PolarHBondContact O-N 2.82Å
176	S	37.5	Very low	48.2	Very low	92 Å²	92	99.8 Å²	99.8	64%	0.643	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-31.5	-176.7	53.4	0	0	0	0	113.7	M173	M173-S176 PolarHBondContact O-N 3.16Å; M173-S176 PolarHBondContact O-OG 2.74Å
177	Q	36.5	Very low	46.9	Very low	143 Å²	143	99.8 Å²	99.8	67%	0.668	53%	0.528	S	S	*	.	S	Bend	trans	-85.1	-3.1	-176.8	-69.7	-177.8	-27.8	0	0	115.1	M173 R179	M173-Q177 PolarHBondContact O-N 3.33Å; Q177-R179 PolarHBondContact O-N 2.77Å
178	S	38.8	Very low	46.1	Very low	59 Å²	59	98.8 Å²	98.8	41%	0.413	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	31.7	-174	-168.5	0	0	0	0	116.2	K203	S178-K203 PolarHBondContact O-NZ 2.87Å
179	R	40	Very low	45.9	Very low	232 Å²	232	101.4 Å²	101.4	88%	0.875	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-26.7	-173.9	-84.6	-169.7	169	-170	-3.6	117.5	Q177	Q177-R179 PolarHBondContact O-N 2.77Å
180	N	33.8	Very low	46.5	Very low	161 Å²	161	99.3 Å²	99.3	86%	0.861	54%	0.538	S	S	*	.	S	Bend	trans	-138.4	-0.7	-166.8	-99.6	-4.8	0	0	0	119.1	K182	N180-K182 PolarHBondContact O-N 3.05Å
181	S	34.3	Very low	47.8	Very low	102 Å²	102	99 Å²	99	71%	0.713	54%	0.538	S	S	*	.			trans	-88.2	102.6	177.3	56.2	0	0	0	0	112.4	S183	S181-S183 PolarHBondContact O-N 3.17Å
182	K	36.4	Very low	49.6	Very low	218 Å²	218	93.5 Å²	93.5	95%	0.948	52%	0.518	S	S	*	.			trans	-86.9	75.9	160.5	-71.9	-174.3	-179.6	-178.8	0	109.6	N180	N180-K182 PolarHBondContact O-N 3.05Å
183	S	34.3	Very low	51.5	Low	72 Å²	72	88.4 Å²	88.4	50%	0.503	49%	0.492	S	S	.	.			trans	-91.6	153.3	167.6	52.6	0	0	0	0	110.4	S181 E186	S181-S183 PolarHBondContact O-N 3.17Å; S183-E186 WeakPolarHBondContact CA-OE2 3.33Å; S183-E186 WeakPolarHBondContact CB-OE2 3.44Å
184	A	37	Very low	53.8	Low	64 Å²	64	82.9 Å²	82.9	53%	0.529	47%	0.465	S	S	.	.			trans	-74.2	-169.8	163.3	0	0	0	0	0	109.6	E186	A184-E186 HydrophobicContact CB-CG 4.23Å; A184-E186 PolarHBondContact O-N 3.41Å
185	P	41.5	Very low	56	Low	78 Å²	78	81.5 Å²	81.5	51%	0.506	46%	0.455	S	S	.	.	S	Bend	trans	-67.1	64.1	164.3	-20.9	35.3	0	0	0	112	G187	P185-G187 PolarHBondContact O-N 3.26Å
186	E	42.8	Very low	58.2	Low	141 Å²	141	77 Å²	77	66%	0.659	43%	0.431	S	S	*	.			trans	-84.1	107.6	180	-69.9	175.4	119.1	0	0	110	S183 A184	S183-E186 WeakPolarHBondContact CA-OE2 3.33Å; S183-E186 WeakPolarHBondContact CB-OE2 3.44Å; A184-E186 HydrophobicContact CB-CG 4.23Å; A184-E186 PolarHBondContact O-N 3.41Å
187	G	50.5	Low	60.4	Low	44 Å²	44	75.2 Å²	75.2	45%	0.454	41%	0.414	S	S	.	.	S	Bend	trans	97.2	122.8	176.8	0	0	0	0	0	113.9	P185	P185-G187 PolarHBondContact O-N 3.26Å
188	G	54.6	Low	62.6	Low	28 Å²	28	69.4 Å²	69.4	29%	0.289	39%	0.386	S	S	.	.	S	Bend	trans	127.7	131.9	175.7	0	0	0	0	0	112.4	I190	G188-I190 PolarHBondContact O-N 3.06Å
189	T	71.1	Confident	64	Low	55 Å²	55	72 Å²	72	34%	0.337	39%	0.391	S	S	.	.			trans	-77	110.6	176.4	-55.1	0	0	0	0	109.4	K148 I191 Y192	K148-T189 WeakPolarHBondContact CD-OG1 3.3Å; T189-I191 HydrophobicContact CG2-CD1 4.4Å; T189-I191 HydrophobicContact CG2-CG1 4.16Å; T189-I191 PolarHBondContact O-N 2.95Å; T189-Y192 HydrophobicContact CG2-CD2 4.15Å; T189-Y192 HydrophobicContact CG2-CE2 4.16Å; T189-Y192 PolarHBondContact O-N 2.88Å
190	I	84.8	Confident	64.5	Low	47 Å²	47	66.8 Å²	66.8	24%	0.241	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-41.3	-40.6	-170.3	-75.1	164.2	0	0	0	114.8	G188 Y192 M193 Y198 P235 I238 M239	G188-I190 PolarHBondContact O-N 3.06Å; I190-Y192 PolarHBondContact O-N 3.03Å; I190-M193 WeakPolarHBondContact O-CB 3.33Å; I190-M193 PolarHBondContact O-N 3.41Å; I190-Y198 PolarHBondContact O-OH 3.48Å; I190-P235 HydrophobicContact CD1-CB 3.69Å; I190-I238 HydrophobicContact CG2-CB 4.48Å; I190-I238 HydrophobicContact CG2-CG2 4.33Å; I190-M239 HydrophobicContact CD1-CG 4.33Å; I190-M239 HydrophobicContact CD1-SD 3.83Å; I190-M239 HydrophobicContact CG1-CG 4.43Å; I190-M239 HydrophobicContact CG1-SD 4.29Å; I190-M239 HydrophobicContact CG2-CG 3.55Å; I190-M239 HydrophobicContact CG2-SD 4.44Å
191	I	91.8	Very high	65.3	Low	18 Å²	18	62.5 Å²	62.5	9%	0.092	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-63.8	-24.7	-175.9	73.2	-170.8	0	0	0	114.1	T189 P228 F229 I238	T189-I191 HydrophobicContact CG2-CD1 4.4Å; T189-I191 HydrophobicContact CG2-CG1 4.16Å; T189-I191 PolarHBondContact O-N 2.95Å; I191-P228 HydrophobicContact CB-CB 4.47Å; I191-P228 HydrophobicContact CD1-CB 4.24Å; I191-P228 HydrophobicContact CD1-CG 4.31Å; I191-F229 HydrophobicContact CB-CD2 4.22Å; I191-F229 HydrophobicContact CB-CE2 4.48Å; I191-F229 HydrophobicContact CG2-CD2 4.16Å; I191-I238 HydrophobicContact CG2-CD1 3.9Å; I191-I238 HydrophobicContact CG2-CG2 4.44Å
192	Y	93.8	Very high	66.1	Low	5 Å²	5	63.4 Å²	63.4	2%	0.02	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-100.7	-2.5	175.8	-49.7	-85.8	0	0	0	113	L147 K148 T149 T189 I190 Y213 S214 I217 I218 E221	L147-Y192 WeakPolarHBondContact O-CB 3.17Å; K148-Y192 HydrophobicContact CB-CD1 4.33Å; K148-Y192 HydrophobicContact CB-CD2 3.39Å; K148-Y192 HydrophobicContact CB-CE1 4.33Å; K148-Y192 HydrophobicContact CB-CE2 3.37Å; K148-Y192 HydrophobicContact CB-CG 3.9Å; T149-Y192 PolarHBondContact OG1-OH 2.99Å; T149-Y192 VanDerWaalsContact OG1-OH 3.11Å; T189-Y192 HydrophobicContact CG2-CD2 4.15Å; T189-Y192 HydrophobicContact CG2-CE2 4.16Å; T189-Y192 PolarHBondContact O-N 2.88Å; I190-Y192 PolarHBondContact O-N 3.03Å; Y192-Y213 WeakPolarHBondContact O-CD1 3.5Å; Y192-S214 WeakPolarHBondContact O-CA 3.36Å; Y192-S214 WeakPolarHBondContact O-CB 3.22Å; Y192-S214 PolarHBondContact O-OG 2.81Å; Y192-I217 HydrophobicContact CD1-CB 3.9Å; Y192-I217 HydrophobicContact CD1-CG2 3.51Å; Y192-I217 HydrophobicContact CE1-CB 4.45Å; Y192-I217 HydrophobicContact CE1-CG2 3.7Å; Y192-I217 HydrophobicContact CG-CG2 4.39Å; Y192-I218 HydrophobicContact CD1-CG1 4Å; Y192-I218 HydrophobicContact CE1-CG1 3.88Å; Y192-E221 VanDerWaalsContact CE1-OE2 3.25Å; Y192-E221 WeakPolarHBondContact CE1-OE2 3.44Å; Y192-E221 VanDerWaalsContact CZ-OE2 3.31Å; Y192-E221 PolarHBondContact OH-OE1 2.96Å; Y192-E221 PolarHBondContact OH-OE2 3.47Å
193	M	91.8	Very high	66.7	Low	16 Å²	16	60.7 Å²	60.7	8%	0.079	36%	0.363	C	S	.	.	S	Bend	trans	-89.7	131.8	-177.6	-176.2	-176	-62.8	0	0	110.1	I190 N197 Y198 Y213	I190-M193 WeakPolarHBondContact O-CB 3.33Å; I190-M193 PolarHBondContact O-N 3.41Å; M193-N197 HydrophobicContact CG-CB 3.83Å; M193-N197 HydrophobicContact SD-CB 3.97Å; M193-Y198 HydrophobicContact CB-CE1 4.04Å; M193-Y198 HydrophobicContact CG-CD1 4.32Å; M193-Y198 HydrophobicContact CG-CE1 3.89Å; M193-Y198 PolarHBondContact O-OH 2.65Å; M193-Y198 HydrophobicContact SD-CD1 3.96Å; M193-Y198 HydrophobicContact SD-CE1 3.97Å; M193-Y213 WeakPolarHBondContact O-CE1 3.4Å
194	P	92.4	Very high	67.6	Low	0 Å²	0	59.7 Å²	59.7	0%	0	36%	0.356	C	S	.	.			trans	-75	154.9	-178.1	33.6	-38.5	0	0	0	112.6	E196 N197 H210 Y213	P194-E196 VanDerWaalsContact C-N 3.33Å; P194-E196 WeakPolarHBondContact CB-OE1 3.42Å; P194-E196 WeakPolarHBondContact CB-OE2 3.4Å; P194-E196 WeakPolarHBondContact CG-OE1 3.28Å; P194-E196 PolarHBondContact O-N 3.29Å; P194-N197 HydrophobicContact CG-CB 4.44Å; P194-N197 WeakPolarHBondContact O-CB 3.01Å; P194-N197 PolarHBondContact O-N 3.35Å; P194-N197 VanDerWaalsContact O-N 3.09Å; P194-H210 WeakPolarHBondContact CD-CE1 3.28Å; P194-H210 WeakPolarHBondContact CD-ND1 3.01Å; P194-H210 HydrophobicContact CG-CB 4.39Å; P194-H210 WeakPolarHBondContact CG-ND1 3.16Å; P194-Y213 HydrophobicContact CB-CD1 3.89Å; P194-Y213 HydrophobicContact CB-CD2 3.84Å; P194-Y213 HydrophobicContact CB-CE1 4.42Å; P194-Y213 HydrophobicContact CB-CE2 4.37Å; P194-Y213 HydrophobicContact CB-CG 3.6Å
195	P	91.5	Very high	68.4	Low	10 Å²	10	66.4 Å²	66.4	7%	0.065	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-60.5	-34.1	-172.6	20.6	-32	0	0	0	114.6	N197 Y198 V242	P195-N197 PolarHBondContact O-N 3.35Å; P195-N197 VanDerWaalsContact O-N 3.09Å; P195-Y198 HydrophobicContact CB-CD2 4.45Å; P195-Y198 HydrophobicContact CB-CE2 4.37Å; P195-Y198 WeakPolarHBondContact O-CB 3.09Å; P195-Y198 PolarHBondContact O-N 2.72Å; P195-V242 HydrophobicContact CB-CG1 4.16Å; P195-V242 HydrophobicContact CG-CG1 4.37Å
196	E	88	Confident	69.1	Low	33 Å²	33	64 Å²	64	15%	0.154	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-67.9	-7	179	72.1	-80.3	-175.8	0	0	114.3	P194 P277 R280	P194-E196 VanDerWaalsContact C-N 3.33Å; P194-E196 WeakPolarHBondContact CB-OE1 3.42Å; P194-E196 WeakPolarHBondContact CB-OE2 3.4Å; P194-E196 WeakPolarHBondContact CG-OE1 3.28Å; P194-E196 PolarHBondContact O-N 3.29Å; E196-P277 HydrophobicContact CG-CG 4.05Å; E196-R280 IonicContact OE1-CZ 3.79Å; E196-R280 IonicContact OE1-NH1 3.08Å; E196-R280 PolarHBondContact OE1-NH1 2.85Å; E196-R280 IonicContact OE1-NH2 3.9Å; E196-R280 IonicContact OE2-CZ 2.61Å; E196-R280 IonicContact OE2-NH1 3.8Å; E196-R280 PolarHBondContact OE2-NH1 2.97Å; E196-R280 IonicContact OE2-NH2 2.67Å; E196-R280 PolarHBondContact OE2-NH2 3.39Å
197	N	83.5	Confident	70.3	Confident	53 Å²	53	58.6 Å²	58.6	28%	0.283	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-94.1	-5.8	172.6	-84.3	42.1	0	0	0	113.4	M193 P194 P195 S204 H210	M193-N197 HydrophobicContact CG-CB 3.83Å; M193-N197 HydrophobicContact SD-CB 3.97Å; P194-N197 HydrophobicContact CG-CB 4.44Å; P194-N197 WeakPolarHBondContact O-CB 3.01Å; P194-N197 PolarHBondContact O-N 3.35Å; P194-N197 VanDerWaalsContact O-N 3.09Å; P195-N197 PolarHBondContact O-N 3.35Å; P195-N197 VanDerWaalsContact O-N 3.09Å; N197-S204 PolarHBondContact OD1-OG 3.01Å; N197-H210 PolarHBondContact ND2-CE1 2.94Å; N197-H210 PolarHBondContact ND2-ND1 3.33Å
198	Y	81.6	Confident	71.5	Confident	22 Å²	22	58.1 Å²	58.1	9%	0.086	32%	0.32	C	S	.	.	S	Bend	trans	-81.8	-24.6	-179.6	-58.4	-17.8	0	0	0	113.7	I190 M193 P195 P200 M239 V242	I190-Y198 PolarHBondContact O-OH 3.48Å; M193-Y198 HydrophobicContact CB-CE1 4.04Å; M193-Y198 HydrophobicContact CG-CD1 4.32Å; M193-Y198 HydrophobicContact CG-CE1 3.89Å; M193-Y198 PolarHBondContact O-OH 2.65Å; M193-Y198 HydrophobicContact SD-CD1 3.96Å; M193-Y198 HydrophobicContact SD-CE1 3.97Å; P195-Y198 HydrophobicContact CB-CD2 4.45Å; P195-Y198 HydrophobicContact CB-CE2 4.37Å; P195-Y198 WeakPolarHBondContact O-CB 3.09Å; P195-Y198 PolarHBondContact O-N 2.72Å; Y198-P200 VanDerWaalsContact O-CD 3.32Å; Y198-P200 WeakPolarHBondContact O-CD 3.26Å; Y198-M239 HydrophobicContact CD1-CE 3.87Å; Y198-M239 HydrophobicContact CD1-CG 4.38Å; Y198-M239 HydrophobicContact CD2-CB 3.92Å; Y198-M239 HydrophobicContact CD2-CE 4.36Å; Y198-M239 HydrophobicContact CD2-CG 4.25Å; Y198-M239 HydrophobicContact CE1-CG 4.25Å; Y198-M239 HydrophobicContact CE2-CB 3.9Å; Y198-M239 HydrophobicContact CE2-CG 4.11Å; Y198-M239 WeakPolarHBondContact CE2-O 3.47Å; Y198-M239 HydrophobicContact CG-CB 4.45Å; Y198-M239 HydrophobicContact CG-CE 3.75Å; Y198-M239 HydrophobicContact CG-CG 4.4Å; Y198-V242 HydrophobicContact CE2-CB 4.01Å; Y198-V242 HydrophobicContact CE2-CG1 3.79Å; Y198-V242 WeakPolarHBondContact OH-CG1 3.46Å
199	E	67.7	Low	73.2	Confident	112 Å²	112	58.3 Å²	58.3	52%	0.523	31%	0.313	S	S	.	.	S	Bend	trans	-90.2	112	-174	-70.9	-167.8	-178.7	0	0	113.1	G201 Q202	E199-G201 PolarHBondContact O-N 2.84Å; E199-Q202 HydrophobicContact CB-CG 4.28Å; E199-Q202 PolarHBondContact OE2-NE2 3.32Å
200	P	51.8	Low	74.2	Confident	124 Å²	124	56 Å²	56	81%	0.805	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	91.8	179.8	31.1	-35.4	0	0	0	111.4	Y198	Y198-P200 VanDerWaalsContact O-CD 3.32Å; Y198-P200 WeakPolarHBondContact O-CD 3.26Å
201	G	50.4	Low	74.7	Confident	70 Å²	70	53.8 Å²	53.8	72%	0.722	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	151	-29.9	174.9	0	0	0	0	0	113.4	E199 K203	E199-G201 PolarHBondContact O-N 2.84Å; G201-K203 PolarHBondContact O-N 3.43Å
202	Q	50.9	Low	75	Confident	122 Å²	122	53 Å²	53	57%	0.57	28%	0.283	S	S	*	.	S	Bend	trans	-65.1	119.2	165.3	-66.4	-149.1	36.6	0	0	108.5	E199 S204	E199-Q202 HydrophobicContact CB-CG 4.28Å; E199-Q202 PolarHBondContact OE2-NE2 3.32Å; Q202-S204 PolarHBondContact O-N 3.3Å
203	K	49.4	Very low	75.2	Confident	160 Å²	160	52.8 Å²	52.8	70%	0.696	28%	0.282	S	S	*	.			trans	-76.8	77.2	173.7	-69.4	-166.2	177	-161.7	0	109.3	S178 G201 R205	S178-K203 PolarHBondContact O-NZ 2.87Å; G201-K203 PolarHBondContact O-N 3.43Å; K203-R205 VanDerWaalsContact C-N 3.31Å; K203-R205 PolarHBondContact O-N 3.33Å
204	S	53	Low	75.4	Confident	51 Å²	51	52.1 Å²	52.1	36%	0.357	28%	0.279	S	S	.	.			trans	-51.4	98.8	162.2	179.7	0	0	0	0	107.9	N197 Q202 A206	N197-S204 PolarHBondContact OD1-OG 3.01Å; Q202-S204 PolarHBondContact O-N 3.3Å; S204-A206 PolarHBondContact O-N 3.26Å
205	R	53.5	Low	75.7	Confident	205 Å²	205	52.1 Å²	52.1	77%	0.774	28%	0.279	S	S	*	.			trans	-61.8	118	173.5	-90.3	176.1	151.4	169.2	-6.2	105.6	K203 S207	K203-R205 VanDerWaalsContact C-N 3.31Å; K203-R205 PolarHBondContact O-N 3.33Å; R205-S207 WeakPolarHBondContact O-CA 3.02Å; R205-S207 WeakPolarHBondContact O-CB 3.14Å; R205-S207 PolarHBondContact O-N 3.24Å
206	A	55.4	Low	76.1	Confident	27 Å²	27	51.7 Å²	51.7	22%	0.223	28%	0.276	C	S	.	.			trans	-41.6	109.6	178.2	0	0	0	0	0	110.4	L143 S204	L143-A206 HydrophobicContact CD1-CB 3.83Å; L143-A206 WeakPolarHBondContact CD1-O 3.3Å; S204-A206 PolarHBondContact O-N 3.26Å
207	S	68.4	Low	76.6	Confident	28 Å²	28	50.1 Å²	50.1	20%	0.196	27%	0.269	C	S	.	.			trans	-123.5	137.9	-159.2	-171.5	0	0	0	0	111	R205 K209 H210	R205-S207 WeakPolarHBondContact O-CA 3.02Å; R205-S207 WeakPolarHBondContact O-CB 3.14Å; R205-S207 PolarHBondContact O-N 3.24Å; S207-K209 PolarHBondContact O-N 2.6Å; S207-K209 WeakPolarHBondContact OG-CB 3.48Å; S207-K209 WeakPolarHBondContact OG-CG 3.27Å; S207-K209 PolarHBondContact OG-N 3.23Å; S207-K209 VanDerWaalsContact OG-N 3.07Å; S207-H210 WeakPolarHBondContact O-CB 3.47Å; S207-H210 PolarHBondContact O-N 3.45Å
208	V	77.1	Confident	77.3	Confident	34 Å²	34	47.6 Å²	47.6	21%	0.206	26%	0.255	C	S	.	.	H	α-helix	trans	-54	-21.3	164.3	-66.3	0	0	0	0	112.5	H136 L143 H210	H136-V208 HydrophobicContact CB-CG1 4.45Å; H136-V208 PolarHBondContact CE1-O 3.34Å; H136-V208 WeakPolarHBondContact ND1-CG1 3.31Å; L143-V208 HydrophobicContact CD2-CB 4.36Å; L143-V208 HydrophobicContact CD2-CG1 3.63Å; V208-H210 VanDerWaalsContact C-N 3.3Å; V208-H210 PolarHBondContact O-N 3.36Å
209	K	90.4	Very high	78.1	Confident	32 Å²	32	46.6 Å²	46.6	14%	0.139	25%	0.252	C	S	.	.	H	α-helix	trans	-78.8	-4.9	177	-50.8	-55.4	-160.3	83.8	0	114.4	S207 I212 P277 D278 R280	S207-K209 PolarHBondContact O-N 2.6Å; S207-K209 WeakPolarHBondContact OG-CB 3.48Å; S207-K209 WeakPolarHBondContact OG-CG 3.27Å; S207-K209 PolarHBondContact OG-N 3.23Å; S207-K209 VanDerWaalsContact OG-N 3.07Å; K209-I212 WeakPolarHBondContact O-CG2 3.3Å; K209-P277 HydrophobicContact CB-CB 3.99Å; K209-P277 WeakPolarHBondContact CD-O 3.4Å; K209-P277 HydrophobicContact CG-CB 4.45Å; K209-P277 WeakPolarHBondContact CG-O 3.43Å; K209-P277 PolarHBondContact NZ-O 3.16Å; K209-D278 VanDerWaalsContact NZ-C 3.26Å; K209-D278 VanDerWaalsContact NZ-CA 3.34Å; K209-D278 PolarHBondContact NZ-O 3.09Å; K209-R280 HydrophobicContact CD-CB 4.27Å; K209-R280 WeakPolarHBondContact CE-O 3.45Å; K209-R280 PolarHBondContact NZ-O 2.85Å; K209-R280 WeakPolarHBondContact O-CD 3.11Å; K209-R280 PolarHBondContact O-NH1 3.11Å
210	H	91.5	Very high	79.6	Confident	8 Å²	8	41.6 Å²	41.6	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-77.8	-59	170.2	-178.7	112.1	0	0	0	110.2	H145 P194 N197 S207 V208 I212 Y213 S214	H145-H210 AromaticContact CD2-CD2 3.95Å; H145-H210 AromaticContact CD2-CG 3.85Å; H145-H210 PolarHBondContact O-NE2 3.09Å; P194-H210 WeakPolarHBondContact CD-CE1 3.28Å; P194-H210 WeakPolarHBondContact CD-ND1 3.01Å; P194-H210 HydrophobicContact CG-CB 4.39Å; P194-H210 WeakPolarHBondContact CG-ND1 3.16Å; N197-H210 PolarHBondContact ND2-CE1 2.94Å; N197-H210 PolarHBondContact ND2-ND1 3.33Å; S207-H210 WeakPolarHBondContact O-CB 3.47Å; S207-H210 PolarHBondContact O-N 3.45Å; V208-H210 VanDerWaalsContact C-N 3.3Å; V208-H210 PolarHBondContact O-N 3.36Å; H210-I212 PolarHBondContact O-N 3.3Å; H210-I212 VanDerWaalsContact O-N 3.11Å; H210-Y213 WeakPolarHBondContact O-CB 3.5Å; H210-Y213 PolarHBondContact O-N 3.01Å; H210-S214 PolarHBondContact O-N 2.78Å; H210-S214 PolarHBondContact O-OG 2.81Å
211	D	95.1	Very high	81.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58	-31.5	-174.8	-65.7	-18.4	0	0	0	112.8	V132 H136 H144 H145 L147 S214 Y215 F283	V132-D211 HydrophobicContact CG1-CB 4.03Å; H136-D211 IonicContact CD2-OD2 2.64Å; H136-D211 IonicContact CE1-OD2 2.92Å; H136-D211 IonicContact NE2-OD2 2.71Å; H136-D211 PolarHBondContact NE2-OD2 3.41Å; H144-D211 PolarHBondContact N-OD1 2.77Å; H144-D211 PolarHBondContact N-OD2 2.87Å; H145-D211 PolarHBondContact N-OD1 2.99Å; L147-D211 HydrophobicContact CD1-CB 3.7Å; D211-S214 PolarHBondContact O-N 3.2Å; D211-Y215 WeakPolarHBondContact O-CB 3.29Å; D211-Y215 PolarHBondContact O-N 3.09Å; D211-F283 HydrophobicContact CB-CE2 3.94Å; D211-F283 HydrophobicContact CB-CZ 4.29Å
212	I	97.4	Very high	84.1	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-70.5	-31.8	175.8	-167.8	69.7	0	0	0	113.5	K209 H210 Y215 A216 R280 P281 F283 C286	K209-I212 WeakPolarHBondContact O-CG2 3.3Å; H210-I212 PolarHBondContact O-N 3.3Å; H210-I212 VanDerWaalsContact O-N 3.11Å; I212-Y215 HydrophobicContact CD1-CD1 3.9Å; I212-Y215 PolarHBondContact O-N 3.38Å; I212-A216 WeakPolarHBondContact O-CB 2.92Å; I212-A216 PolarHBondContact O-N 2.94Å; I212-R280 HydrophobicContact CG2-CB 3.68Å; I212-R280 HydrophobicContact CG2-CG 4.43Å; I212-P281 HydrophobicContact CD1-CG 4.35Å; I212-P281 HydrophobicContact CG1-CG 4.14Å; I212-F283 HydrophobicContact CB-CE2 3.95Å; I212-F283 HydrophobicContact CB-CZ 4.24Å; I212-F283 HydrophobicContact CD1-CD1 4.2Å; I212-F283 HydrophobicContact CD1-CD2 4.27Å; I212-F283 HydrophobicContact CD1-CE1 4Å; I212-F283 HydrophobicContact CD1-CE2 4.04Å; I212-F283 HydrophobicContact CD1-CG 4.34Å; I212-F283 HydrophobicContact CD1-CZ 3.91Å; I212-C286 VanDerWaalsContact CD1-SG 3.57Å
213	Y	97.5	Very high	86.4	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.4	-47	173.9	179	-78.7	0	0	0	109.8	Y192 M193 P194 H210 Y215 A216 I217 V242 G272 W273	Y192-Y213 WeakPolarHBondContact O-CD1 3.5Å; M193-Y213 WeakPolarHBondContact O-CE1 3.4Å; P194-Y213 HydrophobicContact CB-CD1 3.89Å; P194-Y213 HydrophobicContact CB-CD2 3.84Å; P194-Y213 HydrophobicContact CB-CE1 4.42Å; P194-Y213 HydrophobicContact CB-CE2 4.37Å; P194-Y213 HydrophobicContact CB-CG 3.6Å; H210-Y213 WeakPolarHBondContact O-CB 3.5Å; H210-Y213 PolarHBondContact O-N 3.01Å; Y213-Y215 VanDerWaalsContact C-N 3.31Å; Y213-Y215 PolarHBondContact O-N 3.44Å; Y213-A216 WeakPolarHBondContact O-CB 3.5Å; Y213-A216 PolarHBondContact O-N 3.24Å; Y213-A216 VanDerWaalsContact O-N 3.14Å; Y213-I217 HydrophobicContact CD1-CG1 4.28Å; Y213-I217 HydrophobicContact CE1-CD1 4.33Å; Y213-I217 HydrophobicContact CE1-CG1 3.89Å; Y213-I217 PolarHBondContact O-N 2.77Å; Y213-I217 VanDerWaalsContact O-N 3.13Å; Y213-V242 VanDerWaalsContact OH-CG1 3.25Å; Y213-V242 WeakPolarHBondContact OH-CG1 3.26Å; Y213-G272 WeakPolarHBondContact CA-O 3.35Å; Y213-W273 HydrophobicContact CD2-CB 3.89Å; Y213-W273 HydrophobicContact CE2-CB 3.84Å; Y213-W273 WeakPolarHBondContact CE2-O 3.46Å
214	S	97.6	Very high	88.7	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.007	10%	0.103	C	C	.	.	H	α-helix	trans	-59	-43.3	175.4	-47.4	0	0	0	0	111.5	L147 Y192 H210 D211 A216 I217 I218	L147-S214 WeakPolarHBondContact O-CB 3.31Å; Y192-S214 WeakPolarHBondContact O-CA 3.36Å; Y192-S214 WeakPolarHBondContact O-CB 3.22Å; Y192-S214 PolarHBondContact O-OG 2.81Å; H210-S214 PolarHBondContact O-N 2.78Å; H210-S214 PolarHBondContact O-OG 2.81Å; D211-S214 PolarHBondContact O-N 3.2Å; S214-A216 PolarHBondContact O-N 3.33Å; S214-I217 PolarHBondContact O-N 2.85Å; S214-I218 WeakPolarHBondContact O-CG1 3.48Å; S214-I218 PolarHBondContact O-N 3.45Å
215	Y	98.6	Very high	90.9	Very high	1 Å²	1	18.5 Å²	18.5	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-62.7	-37.8	174.4	177.3	-112.8	0	0	0	113	L125 I128 A129 D211 I212 Y213 I217 I218 M219 F283 L290	L125-Y215 HydrophobicContact CD2-CE2 4.25Å; L125-Y215 PolarHBondContact O-OH 3.26Å; L125-Y215 VanDerWaalsContact O-OH 3.06Å; I128-Y215 HydrophobicContact CB-CD2 4.3Å; I128-Y215 HydrophobicContact CB-CE2 4.03Å; I128-Y215 HydrophobicContact CG2-CD2 3.65Å; I128-Y215 HydrophobicContact CG2-CE2 3.9Å; A129-Y215 HydrophobicContact CB-CE1 4.43Å; A129-Y215 HydrophobicContact CB-CE2 4.41Å; D211-Y215 WeakPolarHBondContact O-CB 3.29Å; D211-Y215 PolarHBondContact O-N 3.09Å; I212-Y215 HydrophobicContact CD1-CD1 3.9Å; I212-Y215 PolarHBondContact O-N 3.38Å; Y213-Y215 VanDerWaalsContact C-N 3.31Å; Y213-Y215 PolarHBondContact O-N 3.44Å; Y215-I217 PolarHBondContact O-N 3.05Å; Y215-I218 CarbonylContact O-C 3.59Å; Y215-I218 WeakPolarHBondContact O-CB 3.33Å; Y215-I218 PolarHBondContact O-N 3.4Å; Y215-M219 HydrophobicContact CD1-CG 4.15Å; Y215-M219 HydrophobicContact CD1-SD 3.91Å; Y215-M219 HydrophobicContact CD2-CG 4.42Å; Y215-M219 HydrophobicContact CE1-CG 3.72Å; Y215-M219 HydrophobicContact CE1-SD 3.31Å; Y215-M219 WeakPolarHBondContact CE1-SD 3.25Å; Y215-M219 HydrophobicContact CE2-CG 3.99Å; Y215-M219 HydrophobicContact CG-CG 4.49Å; Y215-M219 WeakPolarHBondContact O-CG 3.49Å; Y215-M219 PolarHBondContact O-N 2.9Å; Y215-F283 HydrophobicContact CD1-CD1 4.43Å; Y215-F283 AromaticContact CD1-CE1 3.7Å; Y215-F283 HydrophobicContact CD1-CE1 3.7Å; Y215-F283 HydrophobicContact CD1-CZ 4.37Å; Y215-F283 HydrophobicContact CD2-CE1 4.2Å; Y215-F283 HydrophobicContact CE1-CE1 4.35Å; Y215-F283 AromaticContact CG-CE1 3.61Å; Y215-F283 HydrophobicContact CG-CE1 3.61Å; Y215-F283 HydrophobicContact CG-CZ 4.11Å; Y215-L290 WeakPolarHBondContact OH-CD1 3.39Å
216	A	98.7	Very high	92.9	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.008	6%	0.062	C	C	.	.	H	α-helix	trans	-65.2	-37.5	176.2	0	0	0	0	0	113.1	I212 Y213 S214 M219 W220 W273	I212-A216 WeakPolarHBondContact O-CB 2.92Å; I212-A216 PolarHBondContact O-N 2.94Å; Y213-A216 WeakPolarHBondContact O-CB 3.5Å; Y213-A216 PolarHBondContact O-N 3.24Å; Y213-A216 VanDerWaalsContact O-N 3.14Å; S214-A216 PolarHBondContact O-N 3.33Å; A216-M219 PolarHBondContact O-N 2.97Å; A216-W220 PolarHBondContact O-N 2.9Å; A216-W220 VanDerWaalsContact O-N 3.07Å; A216-W273 HydrophobicContact CB-CB 3.93Å
217	I	98.6	Very high	94.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.4	-41.7	171.5	-60.2	-72.9	0	0	0	110.3	Y192 Y213 S214 Y215 W220 E221 P228 P248 W273	Y192-I217 HydrophobicContact CD1-CB 3.9Å; Y192-I217 HydrophobicContact CD1-CG2 3.51Å; Y192-I217 HydrophobicContact CE1-CB 4.45Å; Y192-I217 HydrophobicContact CE1-CG2 3.7Å; Y192-I217 HydrophobicContact CG-CG2 4.39Å; Y213-I217 HydrophobicContact CD1-CG1 4.28Å; Y213-I217 HydrophobicContact CE1-CD1 4.33Å; Y213-I217 HydrophobicContact CE1-CG1 3.89Å; Y213-I217 PolarHBondContact O-N 2.77Å; Y213-I217 VanDerWaalsContact O-N 3.13Å; S214-I217 PolarHBondContact O-N 2.85Å; Y215-I217 PolarHBondContact O-N 3.05Å; I217-W220 WeakPolarHBondContact O-CB 3.28Å; I217-W220 PolarHBondContact O-N 3.29Å; I217-E221 WeakPolarHBondContact O-CB 3.45Å; I217-E221 PolarHBondContact O-N 2.74Å; I217-P228 HydrophobicContact CG2-CB 3.97Å; I217-P228 HydrophobicContact CG2-CG 3.82Å; I217-P248 HydrophobicContact CD1-CG 3.99Å; I217-W273 HydrophobicContact CD1-CE3 3.73Å; I217-W273 HydrophobicContact CD1-CZ3 4.17Å
218	I	98.8	Very high	96	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.4	-40.9	174.3	-67.2	159.9	0	0	0	111.8	L103 L125 I128 L147 T149 Y192 S214 Y215 W220 E221 V222	L103-I218 HydrophobicContact CD2-CG2 4.19Å; L125-I218 HydrophobicContact CD2-CG2 4.32Å; I128-I218 HydrophobicContact CD1-CG2 3.96Å; L147-I218 HydrophobicContact CB-CD1 4.19Å; T149-I218 HydrophobicContact CG2-CB 4.42Å; T149-I218 HydrophobicContact CG2-CG1 3.97Å; T149-I218 HydrophobicContact CG2-CG2 4.02Å; Y192-I218 HydrophobicContact CD1-CG1 4Å; Y192-I218 HydrophobicContact CE1-CG1 3.88Å; S214-I218 WeakPolarHBondContact O-CG1 3.48Å; S214-I218 PolarHBondContact O-N 3.45Å; Y215-I218 CarbonylContact O-C 3.59Å; Y215-I218 WeakPolarHBondContact O-CB 3.33Å; Y215-I218 PolarHBondContact O-N 3.4Å; I218-W220 VanDerWaalsContact C-N 3.32Å; I218-W220 PolarHBondContact O-N 3.13Å; I218-E221 PolarHBondContact O-N 3.47Å; I218-V222 HydrophobicContact CG2-CG2 4.15Å; I218-V222 WeakPolarHBondContact O-CB 3.47Å; I218-V222 VanDerWaalsContact O-CG2 3.28Å; I218-V222 WeakPolarHBondContact O-CG2 3.49Å; I218-V222 PolarHBondContact O-N 2.89Å
219	M	98.8	Very high	96.7	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-58.4	-44.3	174.4	-75.5	-175.4	74.2	0	0	111.4	L125 Y215 A216 L223 M265 L268 I269	L125-M219 HydrophobicContact CD1-CB 4.44Å; L125-M219 HydrophobicContact CD1-CG 4.2Å; L125-M219 HydrophobicContact CD2-CB 4.39Å; L125-M219 HydrophobicContact CD2-CG 3.95Å; Y215-M219 HydrophobicContact CD1-CG 4.15Å; Y215-M219 HydrophobicContact CD1-SD 3.91Å; Y215-M219 HydrophobicContact CD2-CG 4.42Å; Y215-M219 HydrophobicContact CE1-CG 3.72Å; Y215-M219 HydrophobicContact CE1-SD 3.31Å; Y215-M219 WeakPolarHBondContact CE1-SD 3.25Å; Y215-M219 HydrophobicContact CE2-CG 3.99Å; Y215-M219 HydrophobicContact CG-CG 4.49Å; Y215-M219 WeakPolarHBondContact O-CG 3.49Å; Y215-M219 PolarHBondContact O-N 2.9Å; A216-M219 PolarHBondContact O-N 2.97Å; M219-L223 WeakPolarHBondContact O-CG 3.37Å; M219-L223 PolarHBondContact O-N 2.89Å; M219-M265 HydrophobicContact CE-CE 3.5Å; M219-M265 VanDerWaalsContact CE-CE 3.5Å; M219-M265 HydrophobicContact CE-SD 4.13Å; M219-L268 HydrophobicContact CE-CB 3.74Å; M219-L268 HydrophobicContact CE-CD1 4.14Å; M219-L268 HydrophobicContact SD-CB 4.28Å; M219-I269 HydrophobicContact CB-CD1 4.08Å; M219-I269 HydrophobicContact CB-CG1 3.59Å; M219-I269 HydrophobicContact CE-CG1 4.32Å; M219-I269 HydrophobicContact SD-CG1 4.41Å
220	W	98.8	Very high	96.7	Very high	6 Å²	6	15.5 Å²	15.5	2%	0.023	7%	0.073	C	C	.	.	H	α-helix	trans	-62.2	-49.6	174.9	-177.5	92.8	0	0	0	111.7	A216 I217 I218 V222 L223 S224 K226 P228 P248 D249 N254 I269 W273	A216-W220 PolarHBondContact O-N 2.9Å; A216-W220 VanDerWaalsContact O-N 3.07Å; I217-W220 WeakPolarHBondContact O-CB 3.28Å; I217-W220 PolarHBondContact O-N 3.29Å; I218-W220 VanDerWaalsContact C-N 3.32Å; I218-W220 PolarHBondContact O-N 3.13Å; W220-V222 VanDerWaalsContact C-N 3.35Å; W220-V222 PolarHBondContact O-N 3.09Å; W220-L223 PolarHBondContact O-N 2.9Å; W220-S224 WeakPolarHBondContact CZ3-OG 3.45Å; W220-S224 WeakPolarHBondContact O-CB 3.41Å; W220-S224 PolarHBondContact O-N 3.01Å; W220-S224 PolarHBondContact O-OG 3.17Å; W220-S224 VanDerWaalsContact O-OG 3.05Å; W220-K226 HydrophobicContact CH2-CB 3.8Å; W220-K226 HydrophobicContact CZ3-CB 4.24Å; W220-K226 WeakPolarHBondContact CZ3-O 3.28Å; W220-P228 HydrophobicContact CE3-CB 4.47Å; W220-P228 HydrophobicContact CE3-CG 4.13Å; W220-P228 HydrophobicContact CZ3-CB 4.31Å; W220-P228 HydrophobicContact CZ3-CG 4.09Å; W220-P248 HydrophobicContact CD2-CB 3.52Å; W220-P248 HydrophobicContact CD2-CG 4.33Å; W220-P248 HydrophobicContact CE3-CB 3.93Å; W220-P248 HydrophobicContact CE3-CG 4.45Å; W220-P248 HydrophobicContact CG-CB 3.97Å; W220-P248 HydrophobicContact CH2-CB 4.12Å; W220-P248 HydrophobicContact CZ2-CB 3.71Å; W220-P248 HydrophobicContact CZ3-CB 4.22Å; W220-D249 PolarHBondContact NE1-O 2.94Å; W220-N254 HydrophobicContact CZ2-CB 4.12Å; W220-I269 HydrophobicContact CB-CD1 4.24Å; W220-I269 HydrophobicContact CB-CG2 4.36Å; W220-W273 HydrophobicContact CB-CH2 4.45Å; W220-W273 HydrophobicContact CB-CZ3 3.88Å; W220-W273 AromaticContact CD1-CH2 3.79Å; W220-W273 HydrophobicContact CG-CH2 4.24Å; W220-W273 HydrophobicContact CG-CZ3 4.04Å
221	E	98.6	Very high	96.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.6	-38.8	-177.9	-167.9	-176.9	148.3	0	0	112.6	L107 H108 T149 Y192 I217 I218 R225 P228	L107-E221 HydrophobicContact CD1-CB 4.47Å; L107-E221 HydrophobicContact CD1-CG 3.92Å; H108-E221 IonicContact CD2-OE1 3.64Å; H108-E221 IonicContact CE1-OE1 3.52Å; H108-E221 IonicContact NE2-OE1 2.6Å; H108-E221 PolarHBondContact NE2-OE1 3.39Å; T149-E221 WeakPolarHBondContact CB-OE1 3.2Å; T149-E221 HydrophobicContact CG2-CG 4.32Å; T149-E221 WeakPolarHBondContact CG2-OE1 3.42Å; T149-E221 WeakPolarHBondContact CG2-OE2 3.45Å; T149-E221 PolarHBondContact OG1-OE1 3.2Å; Y192-E221 VanDerWaalsContact CE1-OE2 3.25Å; Y192-E221 WeakPolarHBondContact CE1-OE2 3.44Å; Y192-E221 VanDerWaalsContact CZ-OE2 3.31Å; Y192-E221 PolarHBondContact OH-OE1 2.96Å; Y192-E221 PolarHBondContact OH-OE2 3.47Å; I217-E221 WeakPolarHBondContact O-CB 3.45Å; I217-E221 PolarHBondContact O-N 2.74Å; I218-E221 PolarHBondContact O-N 3.47Å; E221-R225 VanDerWaalsContact O-CA 3.31Å; E221-R225 WeakPolarHBondContact O-CA 3.25Å; E221-R225 PolarHBondContact O-N 2.92Å; E221-P228 HydrophobicContact CB-CG 4.14Å; E221-P228 HydrophobicContact CG-CG 4.1Å
222	V	98.8	Very high	96.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-67.2	-40.3	176.5	167.7	0	0	0	0	112	L103 L107 R121 L125 I218 W220	L103-V222 HydrophobicContact CD1-CG2 4.34Å; L103-V222 HydrophobicContact CD2-CG2 3.85Å; L103-V222 HydrophobicContact CG-CG2 4.41Å; L107-V222 HydrophobicContact CD1-CG2 3.83Å; L107-V222 HydrophobicContact CD2-CB 4.4Å; L107-V222 HydrophobicContact CD2-CG2 4.22Å; R121-V222 HydrophobicContact CB-CG1 3.73Å; R121-V222 WeakPolarHBondContact CD-O 3.06Å; R121-V222 HydrophobicContact CG-CG1 4.24Å; R121-V222 PolarHBondContact NH1-O 2.95Å; L125-V222 HydrophobicContact CD1-CB 4.4Å; L125-V222 HydrophobicContact CD1-CG1 4.08Å; L125-V222 HydrophobicContact CD2-CB 3.94Å; L125-V222 HydrophobicContact CD2-CG1 4.13Å; L125-V222 HydrophobicContact CD2-CG2 3.84Å; L125-V222 HydrophobicContact CG-CB 4.32Å; L125-V222 HydrophobicContact CG-CG1 3.97Å; I218-V222 HydrophobicContact CG2-CG2 4.15Å; I218-V222 WeakPolarHBondContact O-CB 3.47Å; I218-V222 VanDerWaalsContact O-CG2 3.28Å; I218-V222 WeakPolarHBondContact O-CG2 3.49Å; I218-V222 PolarHBondContact O-N 2.89Å; W220-V222 VanDerWaalsContact C-N 3.35Å; W220-V222 PolarHBondContact O-N 3.09Å
223	L	98.6	Very high	95.4	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.021	16%	0.16	C	C	.	.	H	α-helix	trans	-76.7	-42.2	-179.2	-66	179.2	0	0	0	112	W118 R121 F122 M219 W220 L255 I259 M265 I269	W118-L223 HydrophobicContact CE3-CD2 4.26Å; W118-L223 HydrophobicContact CZ3-CD2 3.77Å; R121-L223 PolarHBondContact NH1-O 3.2Å; F122-L223 HydrophobicContact CE2-CD2 3.79Å; F122-L223 HydrophobicContact CZ-CD2 4.09Å; M219-L223 WeakPolarHBondContact O-CG 3.37Å; M219-L223 PolarHBondContact O-N 2.89Å; W220-L223 PolarHBondContact O-N 2.9Å; L223-L255 HydrophobicContact CB-CD2 3.6Å; L223-I259 HydrophobicContact CB-CD1 4.29Å; L223-I259 HydrophobicContact CD1-CG2 4.29Å; L223-I259 HydrophobicContact CD2-CG2 4.16Å; L223-M265 HydrophobicContact CD1-CB 3.77Å; L223-M265 HydrophobicContact CD1-CE 3.98Å; L223-M265 HydrophobicContact CD1-CG 4.22Å; L223-I269 HydrophobicContact CD1-CD1 4.14Å
224	S	98	Very high	94.8	Very high	20 Å²	20	35.1 Å²	35.1	14%	0.14	18%	0.179	C	C	.	.	H	α-helix	trans	-77.6	-33.1	-179.5	70.6	0	0	0	0	113.9	W220 K226 N254	W220-S224 WeakPolarHBondContact CZ3-OG 3.45Å; W220-S224 WeakPolarHBondContact O-CB 3.41Å; W220-S224 PolarHBondContact O-N 3.01Å; W220-S224 PolarHBondContact O-OG 3.17Å; W220-S224 VanDerWaalsContact O-OG 3.05Å; S224-K226 PolarHBondContact O-N 3.27Å; S224-K226 PolarHBondContact OG-N 3.05Å; S224-N254 WeakPolarHBondContact CA-O 3.33Å; S224-N254 WeakPolarHBondContact CB-O 3.23Å
225	R	97.7	Very high	94.3	Very high	18 Å²	18	38.2 Å²	38.2	7%	0.068	20%	0.199	C	C	.	.			trans	49.7	33.2	-161.9	-58.7	-175.8	72.5	-171.3	9.7	112.7	L106 L107 K110 Y113 P114 E221	L106-R225 PolarHBondContact O-NH2 3.14Å; L107-R225 HydrophobicContact CD2-CG 4.07Å; L107-R225 PolarHBondContact O-NE 3.22Å; L107-R225 PolarHBondContact O-NH2 2.85Å; L107-R225 VanDerWaalsContact O-NH2 3.09Å; K110-R225 WeakPolarHBondContact CE-O 3.41Å; K110-R225 PolarHBondContact NZ-O 2.89Å; Y113-R225 PolarHBondContact O-NH1 3.24Å; Y113-R225 VanDerWaalsContact O-NH1 3.16Å; Y113-R225 PolarHBondContact O-NH2 3.39Å; P114-R225 PolarHBondContact O-NH1 2.89Å; E221-R225 VanDerWaalsContact O-CA 3.31Å; E221-R225 WeakPolarHBondContact O-CA 3.25Å; E221-R225 PolarHBondContact O-N 2.92Å
226	K	96.6	Very high	93.8	Very high	50 Å²	50	44 Å²	44	22%	0.217	23%	0.229	C	C	.	.	S	Bend	trans	-111.2	158	171.8	-72.6	176.1	167.6	179.2	0	109.5	W220 S224 E253 N254	W220-K226 HydrophobicContact CH2-CB 3.8Å; W220-K226 HydrophobicContact CZ3-CB 4.24Å; W220-K226 WeakPolarHBondContact CZ3-O 3.28Å; S224-K226 PolarHBondContact O-N 3.27Å; S224-K226 PolarHBondContact OG-N 3.05Å; K226-E253 PolarHBondContact NZ-O 2.69Å; K226-E253 IonicContact NZ-OE1 3.8Å; K226-E253 PolarHBondContact NZ-OE1 2.67Å; K226-N254 WeakPolarHBondContact CD-OD1 3.49Å; K226-N254 WeakPolarHBondContact CE-OD1 3.38Å; K226-N254 PolarHBondContact NZ-OD1 3Å
227	Q	94.7	Very high	93.5	Very high	63 Å²	63	48.8 Å²	48.8	29%	0.294	25%	0.252	S	S	.	.			trans	-74.9	131.4	176.8	-178.4	63.8	35.4	0	0	109.4	F229 E230	Q227-F229 PolarHBondContact O-N 2.71Å; Q227-F229 VanDerWaalsContact O-N 3.12Å; Q227-E230 HydrophobicContact CB-CB 3.93Å; Q227-E230 HydrophobicContact CB-CG 3.84Å; Q227-E230 PolarHBondContact N-OE2 2.98Å; Q227-E230 PolarHBondContact O-N 2.89Å; Q227-E230 VanDerWaalsContact O-N 3.12Å
228	P	94.3	Very high	93.1	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.013	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	120.9	174.3	-23.7	34	0	0	0	110.3	I191 I217 W220 E221 P248	I191-P228 HydrophobicContact CB-CB 4.47Å; I191-P228 HydrophobicContact CD1-CB 4.24Å; I191-P228 HydrophobicContact CD1-CG 4.31Å; I217-P228 HydrophobicContact CG2-CB 3.97Å; I217-P228 HydrophobicContact CG2-CG 3.82Å; W220-P228 HydrophobicContact CE3-CB 4.47Å; W220-P228 HydrophobicContact CE3-CG 4.13Å; W220-P228 HydrophobicContact CZ3-CB 4.31Å; W220-P228 HydrophobicContact CZ3-CG 4.09Å; E221-P228 HydrophobicContact CB-CG 4.14Å; E221-P228 HydrophobicContact CG-CG 4.1Å; P228-P248 HydrophobicContact CB-CG 4.32Å
229	F	92.6	Very high	92.7	Very high	30 Å²	30	51 Å²	51	13%	0.132	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	37.1	-174.4	-46	-84	0	0	0	115	I191 Q227 E231 V232 I238 V242 P248	I191-F229 HydrophobicContact CB-CD2 4.22Å; I191-F229 HydrophobicContact CB-CE2 4.48Å; I191-F229 HydrophobicContact CG2-CD2 4.16Å; Q227-F229 PolarHBondContact O-N 2.71Å; Q227-F229 VanDerWaalsContact O-N 3.12Å; F229-E231 VanDerWaalsContact C-N 3.26Å; F229-E231 PolarHBondContact O-N 3.35Å; F229-E231 VanDerWaalsContact O-N 3.09Å; F229-V232 HydrophobicContact CB-CB 4.21Å; F229-V232 HydrophobicContact CB-CG2 4.2Å; F229-V232 PolarHBondContact O-N 2.78Å; F229-I238 HydrophobicContact CB-CD1 3.92Å; F229-I238 HydrophobicContact CB-CG1 4.13Å; F229-I238 HydrophobicContact CD1-CG2 4.37Å; F229-I238 HydrophobicContact CD2-CG2 3.68Å; F229-I238 HydrophobicContact CE1-CG2 4.49Å; F229-I238 HydrophobicContact CE2-CG2 3.83Å; F229-I238 HydrophobicContact CG-CD1 4.42Å; F229-I238 HydrophobicContact CG-CG1 4.39Å; F229-I238 HydrophobicContact CG-CG2 3.96Å; F229-I238 HydrophobicContact CZ-CG2 4.23Å; F229-V242 HydrophobicContact CE1-CG2 4.07Å; F229-V242 HydrophobicContact CE2-CG2 4.17Å; F229-V242 HydrophobicContact CZ-CG2 3.48Å; F229-V242 VanDerWaalsContact CZ-CG2 3.48Å; F229-P248 HydrophobicContact CE1-CG 4.36Å; F229-P248 HydrophobicContact CE2-CG 4.05Å; F229-P248 HydrophobicContact CZ-CG 3.96Å
230	E	88.6	Confident	92.3	Very high	117 Å²	117	58.1 Å²	58.1	55%	0.547	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.7	-42.9	-178.5	-157.8	153.7	169.5	0	0	114.8	Q227 V232	Q227-E230 HydrophobicContact CB-CB 3.93Å; Q227-E230 HydrophobicContact CB-CG 3.84Å; Q227-E230 PolarHBondContact N-OE2 2.98Å; Q227-E230 PolarHBondContact O-N 2.89Å; Q227-E230 VanDerWaalsContact O-N 3.12Å; E230-V232 VanDerWaalsContact C-N 3.31Å; E230-V232 PolarHBondContact O-N 3.41Å
231	E	87.5	Confident	92.1	Very high	176 Å²	176	59.3 Å²	59.3	82%	0.822	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-9.2	-179.4	-54.5	-58.3	152.1	0	0	114.9	F229	F229-E231 VanDerWaalsContact C-N 3.26Å; F229-E231 PolarHBondContact O-N 3.35Å; F229-E231 VanDerWaalsContact O-N 3.09Å
232	V	87.1	Confident	91.9	Very high	36 Å²	36	59.3 Å²	59.3	22%	0.218	30%	0.3	C	S	.	.			trans	-104.6	90.2	-170.5	-170	0	0	0	0	111	F229 E230 N234 Q237 I238	F229-V232 HydrophobicContact CB-CB 4.21Å; F229-V232 HydrophobicContact CB-CG2 4.2Å; F229-V232 PolarHBondContact O-N 2.78Å; E230-V232 VanDerWaalsContact C-N 3.31Å; E230-V232 PolarHBondContact O-N 3.41Å; V232-N234 VanDerWaalsContact C-N 3.29Å; V232-N234 PolarHBondContact O-N 2.7Å; V232-Q237 HydrophobicContact CG1-CB 3.83Å; V232-Q237 HydrophobicContact CG1-CG 3.79Å; V232-I238 HydrophobicContact CB-CD1 4.37Å; V232-I238 HydrophobicContact CB-CG1 3.85Å; V232-I238 HydrophobicContact CG1-CD1 4.43Å; V232-I238 HydrophobicContact CG1-CG1 3.53Å
233	T	82.9	Confident	91.6	Very high	137 Å²	137	61.3 Å²	61.3	84%	0.84	31%	0.314	S	S	*	.			trans	-68.1	-20.3	-175.4	56.8	0	0	0	0	115.3
234	N	85.8	Confident	91.4	Very high	73 Å²	73	66.3 Å²	66.3	39%	0.39	34%	0.337	S	S	.	.			trans	-103.5	114.7	-178	-176.1	-12.2	0	0	0	111.5	V232 L236 Q237 I238	V232-N234 VanDerWaalsContact C-N 3.29Å; V232-N234 PolarHBondContact O-N 2.7Å; N234-L236 PolarHBondContact O-N 2.76Å; N234-L236 WeakPolarHBondContact OD1-CB 3.4Å; N234-L236 PolarHBondContact OD1-N 3.46Å; N234-Q237 HydrophobicContact CB-CB 4.06Å; N234-Q237 WeakPolarHBondContact O-CA 3.42Å; N234-Q237 VanDerWaalsContact O-CB 3.3Å; N234-Q237 WeakPolarHBondContact O-CB 3.41Å; N234-Q237 PolarHBondContact O-N 2.54Å; N234-I238 PolarHBondContact O-N 3.08Å
235	P	87.1	Confident	91.2	Very high	67 Å²	67	67 Å²	67	44%	0.435	35%	0.348	S	S	.	.	H	α-helix	trans	-59.1	-29.7	179.3	-25.1	34.6	0	0	0	114.6	I190 Q237 I238 M239	I190-P235 HydrophobicContact CD1-CB 3.69Å; P235-Q237 VanDerWaalsContact C-N 3.3Å; P235-Q237 PolarHBondContact O-N 2.67Å; P235-I238 WeakPolarHBondContact O-CB 3.5Å; P235-I238 PolarHBondContact O-N 2.92Å; P235-M239 WeakPolarHBondContact O-CG 3.43Å; P235-M239 PolarHBondContact O-N 3.44Å
236	L	88.1	Confident	91.1	Very high	122 Å²	122	71.5 Å²	71.5	64%	0.639	37%	0.369	S	S	*	.	H	α-helix	trans	-68.9	-30.6	175.5	-61.3	177.4	0	0	0	112.1	N234 M239 Y240	N234-L236 PolarHBondContact O-N 2.76Å; N234-L236 WeakPolarHBondContact OD1-CB 3.4Å; N234-L236 PolarHBondContact OD1-N 3.46Å; L236-M239 HydrophobicContact CD2-SD 4.02Å; L236-M239 PolarHBondContact O-N 3.35Å; L236-Y240 WeakPolarHBondContact O-CB 3.31Å; L236-Y240 PolarHBondContact O-N 2.61Å
237	Q	90.6	Very high	91.2	Very high	101 Å²	101	71 Å²	71	47%	0.472	37%	0.366	S	S	.	.	H	α-helix	trans	-70	-38.4	173	-174.5	179.1	-10.9	0	0	110.6	V232 N234 P235 Y240 S241	V232-Q237 HydrophobicContact CG1-CB 3.83Å; V232-Q237 HydrophobicContact CG1-CG 3.79Å; N234-Q237 HydrophobicContact CB-CB 4.06Å; N234-Q237 WeakPolarHBondContact O-CA 3.42Å; N234-Q237 VanDerWaalsContact O-CB 3.3Å; N234-Q237 WeakPolarHBondContact O-CB 3.41Å; N234-Q237 PolarHBondContact O-N 2.54Å; P235-Q237 VanDerWaalsContact C-N 3.3Å; P235-Q237 PolarHBondContact O-N 2.67Å; Q237-Y240 PolarHBondContact O-N 3.02Å; Q237-S241 WeakPolarHBondContact O-CB 3.18Å; Q237-S241 PolarHBondContact O-N 2.89Å; Q237-S241 PolarHBondContact O-OG 3.06Å
238	I	90.5	Very high	91.3	Very high	12 Å²	12	68.5 Å²	68.5	6%	0.062	36%	0.355	C	S	.	.	H	α-helix	trans	-60.3	-50	171.4	-56.2	176.9	0	0	0	110.1	I190 I191 F229 V232 N234 P235 Y240 S241 V242	I190-I238 HydrophobicContact CG2-CB 4.48Å; I190-I238 HydrophobicContact CG2-CG2 4.33Å; I191-I238 HydrophobicContact CG2-CD1 3.9Å; I191-I238 HydrophobicContact CG2-CG2 4.44Å; F229-I238 HydrophobicContact CB-CD1 3.92Å; F229-I238 HydrophobicContact CB-CG1 4.13Å; F229-I238 HydrophobicContact CD1-CG2 4.37Å; F229-I238 HydrophobicContact CD2-CG2 3.68Å; F229-I238 HydrophobicContact CE1-CG2 4.49Å; F229-I238 HydrophobicContact CE2-CG2 3.83Å; F229-I238 HydrophobicContact CG-CD1 4.42Å; F229-I238 HydrophobicContact CG-CG1 4.39Å; F229-I238 HydrophobicContact CG-CG2 3.96Å; F229-I238 HydrophobicContact CZ-CG2 4.23Å; V232-I238 HydrophobicContact CB-CD1 4.37Å; V232-I238 HydrophobicContact CB-CG1 3.85Å; V232-I238 HydrophobicContact CG1-CD1 4.43Å; V232-I238 HydrophobicContact CG1-CG1 3.53Å; N234-I238 PolarHBondContact O-N 3.08Å; P235-I238 WeakPolarHBondContact O-CB 3.5Å; P235-I238 PolarHBondContact O-N 2.92Å; I238-Y240 VanDerWaalsContact C-N 3.31Å; I238-Y240 PolarHBondContact O-N 3.33Å; I238-S241 PolarHBondContact O-N 2.71Å; I238-V242 HydrophobicContact CG2-CG2 4.14Å; I238-V242 WeakPolarHBondContact O-CB 3.27Å; I238-V242 WeakPolarHBondContact O-CG2 3.28Å; I238-V242 PolarHBondContact O-N 2.86Å
239	M	90.9	Very high	91.4	Very high	35 Å²	35	71.9 Å²	71.9	17%	0.172	37%	0.373	C	S	.	.	H	α-helix	trans	-56.8	-43.6	178.3	-68.8	173.4	72	0	0	112.3	I190 Y198 P235 L236 S243	I190-M239 HydrophobicContact CD1-CG 4.33Å; I190-M239 HydrophobicContact CD1-SD 3.83Å; I190-M239 HydrophobicContact CG1-CG 4.43Å; I190-M239 HydrophobicContact CG1-SD 4.29Å; I190-M239 HydrophobicContact CG2-CG 3.55Å; I190-M239 HydrophobicContact CG2-SD 4.44Å; Y198-M239 HydrophobicContact CD1-CE 3.87Å; Y198-M239 HydrophobicContact CD1-CG 4.38Å; Y198-M239 HydrophobicContact CD2-CB 3.92Å; Y198-M239 HydrophobicContact CD2-CE 4.36Å; Y198-M239 HydrophobicContact CD2-CG 4.25Å; Y198-M239 HydrophobicContact CE1-CG 4.25Å; Y198-M239 HydrophobicContact CE2-CB 3.9Å; Y198-M239 HydrophobicContact CE2-CG 4.11Å; Y198-M239 WeakPolarHBondContact CE2-O 3.47Å; Y198-M239 HydrophobicContact CG-CB 4.45Å; Y198-M239 HydrophobicContact CG-CE 3.75Å; Y198-M239 HydrophobicContact CG-CG 4.4Å; P235-M239 WeakPolarHBondContact O-CG 3.43Å; P235-M239 PolarHBondContact O-N 3.44Å; L236-M239 HydrophobicContact CD2-SD 4.02Å; L236-M239 PolarHBondContact O-N 3.35Å; M239-S243 WeakPolarHBondContact O-CB 3.36Å; M239-S243 PolarHBondContact O-N 3.39Å
240	Y	91.1	Very high	91.6	Very high	151 Å²	151	71.9 Å²	71.9	59%	0.592	38%	0.375	S	S	*	.	H	α-helix	trans	-66	-50.2	177.1	-179.7	-100.3	0	0	0	112.1	L236 Q237 I238 V242 S243 Q244	L236-Y240 WeakPolarHBondContact O-CB 3.31Å; L236-Y240 PolarHBondContact O-N 2.61Å; Q237-Y240 PolarHBondContact O-N 3.02Å; I238-Y240 VanDerWaalsContact C-N 3.31Å; I238-Y240 PolarHBondContact O-N 3.33Å; Y240-V242 VanDerWaalsContact C-N 3.31Å; Y240-V242 PolarHBondContact O-N 3.24Å; Y240-S243 PolarHBondContact O-N 3.38Å; Y240-S243 PolarHBondContact O-OG 2.99Å; Y240-Q244 HydrophobicContact CE1-CG 4.1Å; Y240-Q244 HydrophobicContact CE2-CG 4.28Å; Y240-Q244 WeakPolarHBondContact O-CG 3.35Å; Y240-Q244 PolarHBondContact O-N 3.21Å
241	S	93.1	Very high	92	Very high	30 Å²	30	68.6 Å²	68.6	21%	0.21	37%	0.365	C	S	.	.	H	α-helix	trans	-58	-43.6	177.7	-71.7	0	0	0	0	111.8	Q237 I238 Q244 G245 H246	Q237-S241 WeakPolarHBondContact O-CB 3.18Å; Q237-S241 PolarHBondContact O-N 2.89Å; Q237-S241 PolarHBondContact O-OG 3.06Å; I238-S241 PolarHBondContact O-N 2.71Å; S241-Q244 CarbonylContact O-C 3.41Å; S241-Q244 PolarHBondContact O-N 2.83Å; S241-G245 PolarHBondContact O-N 3.11Å; S241-H246 VanDerWaalsContact O-CB 3.26Å; S241-H246 WeakPolarHBondContact O-CB 3.31Å; S241-H246 PolarHBondContact O-N 2.92Å; S241-H246 PolarHBondContact O-ND1 3.22Å
242	V	94.6	Very high	92.3	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-67.5	-36.7	178.1	168.8	0	0	0	0	112.3	P195 Y198 Y213 F229 I238 Y240 Q244 G245 R247 Q275	P195-V242 HydrophobicContact CB-CG1 4.16Å; P195-V242 HydrophobicContact CG-CG1 4.37Å; Y198-V242 HydrophobicContact CE2-CB 4.01Å; Y198-V242 HydrophobicContact CE2-CG1 3.79Å; Y198-V242 WeakPolarHBondContact OH-CG1 3.46Å; Y213-V242 VanDerWaalsContact OH-CG1 3.25Å; Y213-V242 WeakPolarHBondContact OH-CG1 3.26Å; F229-V242 HydrophobicContact CE1-CG2 4.07Å; F229-V242 HydrophobicContact CE2-CG2 4.17Å; F229-V242 HydrophobicContact CZ-CG2 3.48Å; F229-V242 VanDerWaalsContact CZ-CG2 3.48Å; I238-V242 HydrophobicContact CG2-CG2 4.14Å; I238-V242 WeakPolarHBondContact O-CB 3.27Å; I238-V242 WeakPolarHBondContact O-CG2 3.28Å; I238-V242 PolarHBondContact O-N 2.86Å; Y240-V242 VanDerWaalsContact C-N 3.31Å; Y240-V242 PolarHBondContact O-N 3.24Å; V242-Q244 VanDerWaalsContact C-N 3.29Å; V242-Q244 PolarHBondContact O-N 2.99Å; V242-G245 PolarHBondContact O-N 3.3Å; V242-R247 PolarHBondContact O-NH1 3.27Å; V242-Q275 PolarHBondContact O-OE1 3.4Å
243	S	92.6	Very high	92.7	Very high	43 Å²	43	70.6 Å²	70.6	30%	0.301	37%	0.372	S	S	.	.	H	α-helix	trans	-66.6	-31.2	173.8	82.3	0	0	0	0	112.4	M239 Y240 G245 Q275	M239-S243 WeakPolarHBondContact O-CB 3.36Å; M239-S243 PolarHBondContact O-N 3.39Å; Y240-S243 PolarHBondContact O-N 3.38Å; Y240-S243 PolarHBondContact O-OG 2.99Å; S243-G245 PolarHBondContact O-N 2.82Å; S243-Q275 PolarHBondContact O-NE2 3.27Å
244	Q	94.5	Very high	93.3	Very high	110 Å²	110	65.2 Å²	65.2	51%	0.514	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	9.3	170.7	-56.1	-46	-81.5	0	0	113.7	Y240 S241 V242	Y240-Q244 HydrophobicContact CE1-CG 4.1Å; Y240-Q244 HydrophobicContact CE2-CG 4.28Å; Y240-Q244 WeakPolarHBondContact O-CG 3.35Å; Y240-Q244 PolarHBondContact O-N 3.21Å; S241-Q244 CarbonylContact O-C 3.41Å; S241-Q244 PolarHBondContact O-N 2.83Å; V242-Q244 VanDerWaalsContact C-N 3.29Å; V242-Q244 PolarHBondContact O-N 2.99Å
245	G	94.4	Very high	93.8	Very high	35 Å²	35	61.8 Å²	61.8	36%	0.361	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	0.7	175.8	0	0	0	0	0	116	S241 V242 S243	S241-G245 PolarHBondContact O-N 3.11Å; V242-G245 PolarHBondContact O-N 3.3Å; S243-G245 PolarHBondContact O-N 2.82Å
246	H	96.1	Very high	94.3	Very high	112 Å²	112	61.1 Å²	61.1	52%	0.519	32%	0.316	S	S	.	.			trans	-68.9	151.6	174.8	-54	83.9	0	0	0	111.1	S241	S241-H246 VanDerWaalsContact O-CB 3.26Å; S241-H246 WeakPolarHBondContact O-CB 3.31Å; S241-H246 PolarHBondContact O-N 2.92Å; S241-H246 PolarHBondContact O-ND1 3.22Å
247	R	97.3	Very high	94.7	Very high	40 Å²	40	62.1 Å²	62.1	15%	0.151	32%	0.315	C	S	.	.			trans	-146.5	167.2	-174.9	-63.7	-66.2	-176.1	-86.7	-0.1	109.7	V242 W273	V242-R247 PolarHBondContact O-NH1 3.27Å; R247-W273 HydrophobicContact CB-CD2 4.05Å; R247-W273 HydrophobicContact CB-CE3 4.48Å; R247-W273 HydrophobicContact CB-CH2 4.05Å; R247-W273 HydrophobicContact CB-CZ2 3.57Å; R247-W273 HydrophobicContact CB-CZ3 4.48Å; R247-W273 HydrophobicContact CG-CD2 3.96Å; R247-W273 HydrophobicContact CG-CG 4.02Å; R247-W273 HydrophobicContact CG-CZ2 4.21Å; R247-W273 PolarHBondContact NE-O 3.2Å; R247-W273 PolarHBondContact NH2-O 3.3Å
248	P	97.3	Very high	94.9	Very high	9 Å²	9	62.1 Å²	62.1	6%	0.058	32%	0.318	C	S	.	.	S	Bend	trans	-53.9	142.8	168.6	-24.8	35.7	0	0	0	111.8	I217 W220 P228 F229 W273	I217-P248 HydrophobicContact CD1-CG 3.99Å; W220-P248 HydrophobicContact CD2-CB 3.52Å; W220-P248 HydrophobicContact CD2-CG 4.33Å; W220-P248 HydrophobicContact CE3-CB 3.93Å; W220-P248 HydrophobicContact CE3-CG 4.45Å; W220-P248 HydrophobicContact CG-CB 3.97Å; W220-P248 HydrophobicContact CH2-CB 4.12Å; W220-P248 HydrophobicContact CZ2-CB 3.71Å; W220-P248 HydrophobicContact CZ3-CB 4.22Å; P228-P248 HydrophobicContact CB-CG 4.32Å; F229-P248 HydrophobicContact CE1-CG 4.36Å; F229-P248 HydrophobicContact CE2-CG 4.05Å; F229-P248 HydrophobicContact CZ-CG 3.96Å; P248-W273 HydrophobicContact CB-CH2 4.09Å; P248-W273 HydrophobicContact CB-CZ3 4.11Å; P248-W273 HydrophobicContact CG-CH2 4.36Å; P248-W273 HydrophobicContact CG-CZ3 3.97Å; P248-W273 WeakPolarHBondContact O-CH2 3.48Å
249	D	96.2	Very high	95.3	Very high	73 Å²	73	61.8 Å²	61.8	39%	0.39	32%	0.317	S	S	.	.			trans	-71	139.9	-171.8	170.6	45.4	0	0	0	113	W220 S251 N254	W220-D249 PolarHBondContact NE1-O 2.94Å; D249-S251 WeakPolarHBondContact OD1-CB 3.43Å; D249-S251 PolarHBondContact OD1-N 3.4Å; D249-S251 WeakPolarHBondContact OD2-CB 3.49Å; D249-S251 PolarHBondContact OD2-N 2.89Å; D249-S251 PolarHBondContact OD2-OG 3.49Å; D249-N254 HydrophobicContact CB-CB 4.44Å; D249-N254 VanDerWaalsContact O-CB 3.26Å; D249-N254 WeakPolarHBondContact O-CB 3.4Å; D249-N254 PolarHBondContact OD2-ND2 3.18Å
250	T	97.3	Very high	95.6	Very high	30 Å²	30	61.5 Å²	61.5	18%	0.184	32%	0.318	C	S	.	.			trans	-111.5	15.5	-179.4	54.6	0	0	0	0	113.5	L255 R262 Q270 W273	T250-L255 HydrophobicContact CG2-CD1 3.91Å; T250-R262 PolarHBondContact O-NH2 3.29Å; T250-Q270 PolarHBondContact OG1-NE2 2.96Å; T250-W273 HydrophobicContact CG2-CH2 3.88Å; T250-W273 HydrophobicContact CG2-CZ2 3.85Å
251	S	96.6	Very high	95.9	Very high	48 Å²	48	58.4 Å²	58.4	34%	0.336	31%	0.308	S	S	.	.	S	Bend	trans	-64.2	175.9	171.3	83.7	0	0	0	0	113.1	D249 E253 N254 L255 R262	D249-S251 WeakPolarHBondContact OD1-CB 3.43Å; D249-S251 PolarHBondContact OD1-N 3.4Å; D249-S251 WeakPolarHBondContact OD2-CB 3.49Å; D249-S251 PolarHBondContact OD2-N 2.89Å; D249-S251 PolarHBondContact OD2-OG 3.49Å; S251-E253 VanDerWaalsContact C-N 3.28Å; S251-E253 PolarHBondContact O-N 3.04Å; S251-E253 PolarHBondContact OG-N 3.44Å; S251-N254 PolarHBondContact O-N 3.23Å; S251-L255 PolarHBondContact O-N 3.26Å; S251-R262 VanDerWaalsContact C-NH2 3.33Å; S251-R262 PolarHBondContact O-NH2 3.07Å; S251-R262 VanDerWaalsContact O-NH2 3.14Å
252	E	95	Very high	96.1	Very high	112 Å²	112	59.2 Å²	59.2	52%	0.523	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-33.7	175.5	-175.6	177.6	-175.4	0	0	113.1	N254 L255 P256 F257	E252-N254 VanDerWaalsContact C-N 3.27Å; E252-N254 PolarHBondContact O-N 3.15Å; E252-L255 CarbonylContact O-C 3.59Å; E252-P256 VanDerWaalsContact O-CA 3.3Å; E252-P256 WeakPolarHBondContact O-CA 3.36Å; E252-F257 HydrophobicContact CB-CE2 4.31Å; E252-F257 VanDerWaalsContact CD-CD2 3.45Å; E252-F257 HydrophobicContact CG-CD2 3.83Å; E252-F257 HydrophobicContact CG-CE2 3.83Å; E252-F257 VanDerWaalsContact OE1-CD2 3.22Å; E252-F257 WeakPolarHBondContact OE1-CD2 3.46Å; E252-F257 WeakPolarHBondContact OE1-CE2 3.28Å; E252-F257 VanDerWaalsContact OE2-CE2 3.31Å; E252-F257 WeakPolarHBondContact OE2-CE2 3.48Å
253	E	94.6	Very high	96.3	Very high	143 Å²	143	61.9 Å²	61.9	67%	0.668	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-25.7	-176.9	-162.9	-131	109.4	0	0	112.7	K226 S251	K226-E253 PolarHBondContact NZ-O 2.69Å; K226-E253 IonicContact NZ-OE1 3.8Å; K226-E253 PolarHBondContact NZ-OE1 2.67Å; S251-E253 VanDerWaalsContact C-N 3.28Å; S251-E253 PolarHBondContact O-N 3.04Å; S251-E253 PolarHBondContact OG-N 3.44Å
254	N	95.5	Very high	96.5	Very high	23 Å²	23	62.2 Å²	62.2	12%	0.123	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-29.4	-179.4	-74.4	-70.9	0	0	0	112.7	W220 S224 K226 D249 S251 E252	W220-N254 HydrophobicContact CZ2-CB 4.12Å; S224-N254 WeakPolarHBondContact CA-O 3.33Å; S224-N254 WeakPolarHBondContact CB-O 3.23Å; K226-N254 WeakPolarHBondContact CD-OD1 3.49Å; K226-N254 WeakPolarHBondContact CE-OD1 3.38Å; K226-N254 PolarHBondContact NZ-OD1 3Å; D249-N254 HydrophobicContact CB-CB 4.44Å; D249-N254 VanDerWaalsContact O-CB 3.26Å; D249-N254 WeakPolarHBondContact O-CB 3.4Å; D249-N254 PolarHBondContact OD2-ND2 3.18Å; S251-N254 PolarHBondContact O-N 3.23Å; E252-N254 VanDerWaalsContact C-N 3.27Å; E252-N254 PolarHBondContact O-N 3.15Å
255	L	97.6	Very high	96.7	Very high	1 Å²	1	57 Å²	57	1%	0.005	31%	0.308	C	S	.	.	S	Bend	trans	-134.1	92	174.8	-64.9	178.6	0	0	0	108.7	L223 T250 S251 E252 I259 R262 I266 I269	L223-L255 HydrophobicContact CB-CD2 3.6Å; T250-L255 HydrophobicContact CG2-CD1 3.91Å; S251-L255 PolarHBondContact O-N 3.26Å; E252-L255 CarbonylContact O-C 3.59Å; L255-I259 HydrophobicContact CB-CD1 3.69Å; L255-I259 HydrophobicContact CD2-CD1 3.93Å; L255-I259 HydrophobicContact CG-CD1 4.4Å; L255-R262 PolarHBondContact O-NE 3.3Å; L255-R262 PolarHBondContact O-NH2 3.19Å; L255-I266 HydrophobicContact CD1-CD1 4.03Å; L255-I266 HydrophobicContact CD1-CG1 3.72Å; L255-I269 HydrophobicContact CD1-CD1 4.45Å
256	P	96.4	Very high	96.9	Very high	54 Å²	54	56.2 Å²	56.2	35%	0.351	30%	0.295	S	S	.	.			trans	-67.5	169.8	-173.8	-22.4	34.7	0	0	0	114.5	E252 D258 I259 R262	E252-P256 VanDerWaalsContact O-CA 3.3Å; E252-P256 WeakPolarHBondContact O-CA 3.36Å; P256-D258 VanDerWaalsContact C-N 3.3Å; P256-D258 PolarHBondContact O-N 2.9Å; P256-I259 WeakPolarHBondContact O-CD1 3.4Å; P256-I259 WeakPolarHBondContact O-CG1 3.3Å; P256-R262 WeakPolarHBondContact O-CD 3.39Å; P256-R262 PolarHBondContact O-NE 3.04Å
257	F	96.3	Very high	97.1	Very high	142 Å²	142	54 Å²	54	62%	0.623	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-12.5	-177.7	-74.4	-58.1	0	0	0	115.4	E252 I259	E252-F257 HydrophobicContact CB-CE2 4.31Å; E252-F257 VanDerWaalsContact CD-CD2 3.45Å; E252-F257 HydrophobicContact CG-CD2 3.83Å; E252-F257 HydrophobicContact CG-CE2 3.83Å; E252-F257 VanDerWaalsContact OE1-CD2 3.22Å; E252-F257 WeakPolarHBondContact OE1-CD2 3.46Å; E252-F257 WeakPolarHBondContact OE1-CE2 3.28Å; E252-F257 VanDerWaalsContact OE2-CE2 3.31Å; E252-F257 WeakPolarHBondContact OE2-CE2 3.48Å; F257-I259 VanDerWaalsContact C-N 3.3Å
258	D	95.7	Very high	97.1	Very high	101 Å²	101	52.6 Å²	52.6	54%	0.54	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-12	178.3	79.3	-51.7	0	0	0	113.6	W118 P256 P260	W118-D258 WeakPolarHBondContact CZ2-OD2 3.31Å; W118-D258 PolarHBondContact NE1-OD2 3.5Å; P256-D258 VanDerWaalsContact C-N 3.3Å; P256-D258 PolarHBondContact O-N 2.9Å; D258-P260 VanDerWaalsContact O-CD 3.27Å; D258-P260 WeakPolarHBondContact O-CD 3.39Å
259	I	97.8	Very high	97.2	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.031	29%	0.285	C	S	.	.	S	Bend	trans	-57.2	118.6	176.7	-66.2	169.7	0	0	0	109.9	W118 F122 L223 L255 P256 F257 H261 R262	W118-I259 HydrophobicContact CH2-CD1 4.38Å; W118-I259 HydrophobicContact CH2-CG1 3.52Å; W118-I259 HydrophobicContact CZ2-CG1 3.81Å; W118-I259 HydrophobicContact CZ3-CG1 4.12Å; F122-I259 HydrophobicContact CZ-CG2 4.32Å; L223-I259 HydrophobicContact CB-CD1 4.29Å; L223-I259 HydrophobicContact CD1-CG2 4.29Å; L223-I259 HydrophobicContact CD2-CG2 4.16Å; L255-I259 HydrophobicContact CB-CD1 3.69Å; L255-I259 HydrophobicContact CD2-CD1 3.93Å; L255-I259 HydrophobicContact CG-CD1 4.4Å; P256-I259 WeakPolarHBondContact O-CD1 3.4Å; P256-I259 WeakPolarHBondContact O-CG1 3.3Å; F257-I259 VanDerWaalsContact C-N 3.3Å; I259-H261 PolarHBondContact O-N 3.4Å; I259-R262 HydrophobicContact CB-CB 4.11Å; I259-R262 HydrophobicContact CB-CG 4.32Å; I259-R262 HydrophobicContact CG2-CB 4.25Å; I259-R262 WeakPolarHBondContact O-CB 3.38Å; I259-R262 PolarHBondContact O-N 2.89Å; I259-R262 VanDerWaalsContact O-N 3.12Å
260	P	97.6	Very high	97.3	Very high	29 Å²	29	53.1 Å²	53.1	19%	0.188	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	131.3	174.7	-27.8	37	0	0	0	111.3	W118 F122 D258 R262 F297	W118-P260 HydrophobicContact CB-CG 3.87Å; W118-P260 HydrophobicContact CG-CG 3.9Å; F122-P260 HydrophobicContact CE2-CB 4.34Å; F122-P260 HydrophobicContact CE2-CG 4.37Å; F122-P260 HydrophobicContact CZ-CB 4.2Å; F122-P260 WeakPolarHBondContact CZ-O 3.41Å; D258-P260 VanDerWaalsContact O-CD 3.27Å; D258-P260 WeakPolarHBondContact O-CD 3.39Å; P260-R262 PolarHBondContact O-N 3.45Å; P260-R262 VanDerWaalsContact O-N 3.13Å; P260-F297 HydrophobicContact CB-CE1 4.47Å; P260-F297 HydrophobicContact CB-CZ 4.03Å; P260-F297 HydrophobicContact CG-CE1 4.21Å; P260-F297 HydrophobicContact CG-CZ 4.07Å
261	H	97.3	Very high	97.3	Very high	85 Å²	85	53.6 Å²	53.6	39%	0.394	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	28.8	-179.8	-53.8	-102.8	0	0	0	114.8	I259 G263 L264 M265 V293 T296	I259-H261 PolarHBondContact O-N 3.4Å; H261-G263 VanDerWaalsContact C-N 3.26Å; H261-G263 PolarHBondContact O-N 3.21Å; H261-L264 HydrophobicContact CB-CB 4.46Å; H261-L264 WeakPolarHBondContact O-CB 3.37Å; H261-L264 PolarHBondContact O-N 2.82Å; H261-M265 PolarHBondContact O-N 3.29Å; H261-V293 HydrophobicContact CB-CG1 4.33Å; H261-V293 HydrophobicContact CB-CG2 4.03Å; H261-V293 VanDerWaalsContact CD2-CG1 3.49Å; H261-V293 WeakPolarHBondContact CD2-CG1 3.49Å; H261-T296 PolarHBondContact NE2-OG1 3.28Å
262	R	97.8	Very high	97.4	Very high	47 Å²	47	51.3 Å²	51.3	18%	0.177	28%	0.276	C	S	.	.	H	α-helix	trans	-35	-49.5	-177.5	-172.5	-174.6	-174.2	-80.8	-10.6	115.3	T250 S251 L255 P256 I259 P260 L264 M265 I266	T250-R262 PolarHBondContact O-NH2 3.29Å; S251-R262 VanDerWaalsContact C-NH2 3.33Å; S251-R262 PolarHBondContact O-NH2 3.07Å; S251-R262 VanDerWaalsContact O-NH2 3.14Å; L255-R262 PolarHBondContact O-NE 3.3Å; L255-R262 PolarHBondContact O-NH2 3.19Å; P256-R262 WeakPolarHBondContact O-CD 3.39Å; P256-R262 PolarHBondContact O-NE 3.04Å; I259-R262 HydrophobicContact CB-CB 4.11Å; I259-R262 HydrophobicContact CB-CG 4.32Å; I259-R262 HydrophobicContact CG2-CB 4.25Å; I259-R262 WeakPolarHBondContact O-CB 3.38Å; I259-R262 PolarHBondContact O-N 2.89Å; I259-R262 VanDerWaalsContact O-N 3.12Å; P260-R262 PolarHBondContact O-N 3.45Å; P260-R262 VanDerWaalsContact O-N 3.13Å; R262-L264 PolarHBondContact O-N 2.79Å; R262-M265 PolarHBondContact O-N 2.94Å; R262-I266 HydrophobicContact CG-CD1 3.88Å; R262-I266 VanDerWaalsContact NH1-CD1 3.25Å; R262-I266 WeakPolarHBondContact O-CG1 3.44Å; R262-I266 PolarHBondContact O-N 3.05Å
263	G	98.3	Very high	97.5	Very high	56 Å²	56	46.8 Å²	46.8	58%	0.577	25%	0.254	S	S	*	.	H	α-helix	trans	-62.8	-39.6	-177.9	0	0	0	0	0	114	H261 S267	H261-G263 VanDerWaalsContact C-N 3.26Å; H261-G263 PolarHBondContact O-N 3.21Å; G263-S267 WeakPolarHBondContact O-CB 3.37Å; G263-S267 PolarHBondContact O-N 3.12Å
264	L	98.1	Very high	97.7	Very high	51 Å²	51	40.5 Å²	40.5	27%	0.267	23%	0.227	S	C	.	.	H	α-helix	trans	-69.4	-42.4	174.4	175.2	58.4	0	0	0	111	H261 R262 I266 S267 L268 E289 V293	H261-L264 HydrophobicContact CB-CB 4.46Å; H261-L264 WeakPolarHBondContact O-CB 3.37Å; H261-L264 PolarHBondContact O-N 2.82Å; R262-L264 PolarHBondContact O-N 2.79Å; L264-I266 VanDerWaalsContact C-N 3.34Å; L264-I266 PolarHBondContact O-N 2.87Å; L264-S267 WeakPolarHBondContact O-CB 3.21Å; L264-S267 PolarHBondContact O-N 3.37Å; L264-S267 VanDerWaalsContact O-N 3.15Å; L264-L268 HydrophobicContact CD1-CD1 4.26Å; L264-L268 HydrophobicContact CD1-CG 4.27Å; L264-L268 HydrophobicContact CG-CD1 4.18Å; L264-L268 WeakPolarHBondContact O-CG 3.39Å; L264-L268 PolarHBondContact O-N 3.09Å; L264-E289 HydrophobicContact CD1-CB 4.32Å; L264-V293 HydrophobicContact CD2-CG2 3.76Å
265	M	98.4	Very high	97.6	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-62.9	-41	178.4	-62.9	-55.7	-78.7	0	0	112.1	F122 L125 M219 L223 H261 R262 L268 I269 L290	F122-M265 HydrophobicContact CD1-CE 4.08Å; F122-M265 HydrophobicContact CD1-SD 4.33Å; F122-M265 HydrophobicContact CE1-CE 3.52Å; F122-M265 HydrophobicContact CE1-CG 3.76Å; F122-M265 HydrophobicContact CE1-SD 3.49Å; F122-M265 WeakPolarHBondContact CE1-SD 3.32Å; F122-M265 HydrophobicContact CZ-CE 3.94Å; F122-M265 HydrophobicContact CZ-CG 3.84Å; F122-M265 HydrophobicContact CZ-SD 4.14Å; L125-M265 HydrophobicContact CD1-CE 3.71Å; M219-M265 HydrophobicContact CE-CE 3.5Å; M219-M265 VanDerWaalsContact CE-CE 3.5Å; M219-M265 HydrophobicContact CE-SD 4.13Å; L223-M265 HydrophobicContact CD1-CB 3.77Å; L223-M265 HydrophobicContact CD1-CE 3.98Å; L223-M265 HydrophobicContact CD1-CG 4.22Å; H261-M265 PolarHBondContact O-N 3.29Å; R262-M265 PolarHBondContact O-N 2.94Å; M265-L268 PolarHBondContact O-N 3.5Å; M265-L268 HydrophobicContact SD-CD1 4.34Å; M265-I269 WeakPolarHBondContact O-CB 3.41Å; M265-I269 WeakPolarHBondContact O-CD1 3.37Å; M265-I269 VanDerWaalsContact O-CG1 3.25Å; M265-I269 WeakPolarHBondContact O-CG1 3.5Å; M265-I269 PolarHBondContact O-N 2.73Å; M265-L290 HydrophobicContact CE-CD2 4.01Å; M265-L290 HydrophobicContact SD-CD2 3.75Å
266	I	98.6	Very high	97.4	Very high	17 Å²	17	46.1 Å²	46.1	9%	0.087	25%	0.254	C	S	.	.	H	α-helix	trans	-65.3	-40	173.3	-71.5	174.3	0	0	0	111.1	L255 R262 L264 L268 I269 Q270	L255-I266 HydrophobicContact CD1-CD1 4.03Å; L255-I266 HydrophobicContact CD1-CG1 3.72Å; R262-I266 HydrophobicContact CG-CD1 3.88Å; R262-I266 VanDerWaalsContact NH1-CD1 3.25Å; R262-I266 WeakPolarHBondContact O-CG1 3.44Å; R262-I266 PolarHBondContact O-N 3.05Å; L264-I266 VanDerWaalsContact C-N 3.34Å; L264-I266 PolarHBondContact O-N 2.87Å; I266-L268 PolarHBondContact O-N 2.94Å; I266-I269 PolarHBondContact O-N 2.82Å; I266-Q270 VanDerWaalsContact CG2-CD 3.5Å; I266-Q270 HydrophobicContact CG2-CG 4.08Å; I266-Q270 VanDerWaalsContact O-CB 3.28Å; I266-Q270 WeakPolarHBondContact O-CB 3.25Å; I266-Q270 VanDerWaalsContact O-CG 3.27Å; I266-Q270 WeakPolarHBondContact O-CG 3.36Å; I266-Q270 PolarHBondContact O-N 3.12Å
267	S	98.6	Very high	97.1	Very high	67 Å²	67	45.3 Å²	45.3	47%	0.469	25%	0.249	S	C	.	.	H	α-helix	trans	-62.2	-41.5	175.1	-172.6	0	0	0	0	112.7	G263 L264 S271	G263-S267 WeakPolarHBondContact O-CB 3.37Å; G263-S267 PolarHBondContact O-N 3.12Å; L264-S267 WeakPolarHBondContact O-CB 3.21Å; L264-S267 PolarHBondContact O-N 3.37Å; L264-S267 VanDerWaalsContact O-N 3.15Å; S267-S271 WeakPolarHBondContact O-CB 3.48Å; S267-S271 PolarHBondContact O-N 2.99Å; S267-S271 PolarHBondContact O-OG 2.89Å
268	L	98.4	Very high	96.9	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.052	25%	0.253	C	S	.	.	H	α-helix	trans	-66.1	-41.8	174.9	-74.8	169.4	0	0	0	112.5	M219 L264 M265 I266 S271 G272 E289 L290	M219-L268 HydrophobicContact CE-CB 3.74Å; M219-L268 HydrophobicContact CE-CD1 4.14Å; M219-L268 HydrophobicContact SD-CB 4.28Å; L264-L268 HydrophobicContact CD1-CD1 4.26Å; L264-L268 HydrophobicContact CD1-CG 4.27Å; L264-L268 HydrophobicContact CG-CD1 4.18Å; L264-L268 WeakPolarHBondContact O-CG 3.39Å; L264-L268 PolarHBondContact O-N 3.09Å; M265-L268 PolarHBondContact O-N 3.5Å; M265-L268 HydrophobicContact SD-CD1 4.34Å; I266-L268 PolarHBondContact O-N 2.94Å; L268-S271 PolarHBondContact O-OG 3.14Å; L268-G272 WeakPolarHBondContact O-CA 3.46Å; L268-G272 PolarHBondContact O-N 3.04Å; L268-E289 HydrophobicContact CD1-CB 4.06Å; L268-E289 HydrophobicContact CD2-CB 3.96Å; L268-E289 HydrophobicContact CD2-CG 4.1Å; L268-E289 HydrophobicContact CG-CB 4.44Å; L268-L290 HydrophobicContact CD1-CD2 3.88Å; L268-L290 HydrophobicContact CD1-CG 4.03Å
269	I	98.8	Very high	96.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.5	-51	174.1	-72.4	163.9	0	0	0	110.4	M219 W220 L223 L255 M265 I266 S271 G272 W273	M219-I269 HydrophobicContact CB-CD1 4.08Å; M219-I269 HydrophobicContact CB-CG1 3.59Å; M219-I269 HydrophobicContact CE-CG1 4.32Å; M219-I269 HydrophobicContact SD-CG1 4.41Å; W220-I269 HydrophobicContact CB-CD1 4.24Å; W220-I269 HydrophobicContact CB-CG2 4.36Å; L223-I269 HydrophobicContact CD1-CD1 4.14Å; L255-I269 HydrophobicContact CD1-CD1 4.45Å; M265-I269 WeakPolarHBondContact O-CB 3.41Å; M265-I269 WeakPolarHBondContact O-CD1 3.37Å; M265-I269 VanDerWaalsContact O-CG1 3.25Å; M265-I269 WeakPolarHBondContact O-CG1 3.5Å; M265-I269 PolarHBondContact O-N 2.73Å; I266-I269 PolarHBondContact O-N 2.82Å; I269-S271 PolarHBondContact O-N 3.39Å; I269-G272 PolarHBondContact O-N 3.29Å; I269-W273 HydrophobicContact CG2-CD2 3.76Å; I269-W273 HydrophobicContact CG2-CE3 3.52Å; I269-W273 HydrophobicContact CG2-CH2 3.35Å; I269-W273 HydrophobicContact CG2-CZ2 3.58Å; I269-W273 HydrophobicContact CG2-CZ3 3.31Å; I269-W273 VanDerWaalsContact O-CG 3.29Å; I269-W273 PolarHBondContact O-N 2.89Å
270	Q	98.6	Very high	96.8	Very high	93 Å²	93	45.7 Å²	45.7	44%	0.435	25%	0.253	S	S	.	.	H	α-helix	trans	-67.2	-39.3	-174.4	-73	177.7	-8.5	0	0	113.1	T250 I266 W273 A274	T250-Q270 PolarHBondContact OG1-NE2 2.96Å; I266-Q270 VanDerWaalsContact CG2-CD 3.5Å; I266-Q270 HydrophobicContact CG2-CG 4.08Å; I266-Q270 VanDerWaalsContact O-CB 3.28Å; I266-Q270 WeakPolarHBondContact O-CB 3.25Å; I266-Q270 VanDerWaalsContact O-CG 3.27Å; I266-Q270 WeakPolarHBondContact O-CG 3.36Å; I266-Q270 PolarHBondContact O-N 3.12Å; Q270-W273 HydrophobicContact CG-CZ2 4.48Å; Q270-A274 PolarHBondContact O-N 2.99Å
271	S	98.1	Very high	96.7	Very high	39 Å²	39	45.2 Å²	45.2	27%	0.273	25%	0.25	S	S	.	.	H	α-helix	trans	-71.4	-40.1	171.4	57.5	0	0	0	0	111.9	S267 L268 I269 W273 A274 R280	S267-S271 WeakPolarHBondContact O-CB 3.48Å; S267-S271 PolarHBondContact O-N 2.99Å; S267-S271 PolarHBondContact O-OG 2.89Å; L268-S271 PolarHBondContact O-OG 3.14Å; I269-S271 PolarHBondContact O-N 3.39Å; S271-W273 PolarHBondContact O-N 2.86Å; S271-A274 VanDerWaalsContact O-CB 3.31Å; S271-A274 WeakPolarHBondContact O-CB 3.21Å; S271-A274 PolarHBondContact O-N 3.44Å; S271-R280 WeakPolarHBondContact O-CA 3.44Å
272	G	97.9	Very high	96.7	Very high	1 Å²	1	44 Å²	44	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-59.2	-40.3	177.8	0	0	0	0	0	114.2	Y213 L268 I269 R280	Y213-G272 WeakPolarHBondContact CA-O 3.35Å; L268-G272 WeakPolarHBondContact O-CA 3.46Å; L268-G272 PolarHBondContact O-N 3.04Å; I269-G272 PolarHBondContact O-N 3.29Å; G272-R280 VanDerWaalsContact O-CD 3.28Å; G272-R280 WeakPolarHBondContact O-CD 3.46Å; G272-R280 WeakPolarHBondContact O-CG 3.28Å
273	W	97.8	Very high	96.7	Very high	16 Å²	16	41.9 Å²	41.9	6%	0.061	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	14.2	177.9	69.5	27.9	0	0	0	115.2	Y213 A216 I217 W220 R247 P248 T250 I269 Q270 S271	Y213-W273 HydrophobicContact CD2-CB 3.89Å; Y213-W273 HydrophobicContact CE2-CB 3.84Å; Y213-W273 WeakPolarHBondContact CE2-O 3.46Å; A216-W273 HydrophobicContact CB-CB 3.93Å; I217-W273 HydrophobicContact CD1-CE3 3.73Å; I217-W273 HydrophobicContact CD1-CZ3 4.17Å; W220-W273 HydrophobicContact CB-CH2 4.45Å; W220-W273 HydrophobicContact CB-CZ3 3.88Å; W220-W273 AromaticContact CD1-CH2 3.79Å; W220-W273 HydrophobicContact CG-CH2 4.24Å; W220-W273 HydrophobicContact CG-CZ3 4.04Å; R247-W273 HydrophobicContact CB-CD2 4.05Å; R247-W273 HydrophobicContact CB-CE3 4.48Å; R247-W273 HydrophobicContact CB-CH2 4.05Å; R247-W273 HydrophobicContact CB-CZ2 3.57Å; R247-W273 HydrophobicContact CB-CZ3 4.48Å; R247-W273 HydrophobicContact CG-CD2 3.96Å; R247-W273 HydrophobicContact CG-CG 4.02Å; R247-W273 HydrophobicContact CG-CZ2 4.21Å; R247-W273 PolarHBondContact NE-O 3.2Å; R247-W273 PolarHBondContact NH2-O 3.3Å; P248-W273 HydrophobicContact CB-CH2 4.09Å; P248-W273 HydrophobicContact CB-CZ3 4.11Å; P248-W273 HydrophobicContact CG-CH2 4.36Å; P248-W273 HydrophobicContact CG-CZ3 3.97Å; P248-W273 WeakPolarHBondContact O-CH2 3.48Å; T250-W273 HydrophobicContact CG2-CH2 3.88Å; T250-W273 HydrophobicContact CG2-CZ2 3.85Å; I269-W273 HydrophobicContact CG2-CD2 3.76Å; I269-W273 HydrophobicContact CG2-CE3 3.52Å; I269-W273 HydrophobicContact CG2-CH2 3.35Å; I269-W273 HydrophobicContact CG2-CZ2 3.58Å; I269-W273 HydrophobicContact CG2-CZ3 3.31Å; I269-W273 VanDerWaalsContact O-CG 3.29Å; I269-W273 PolarHBondContact O-N 2.89Å; Q270-W273 HydrophobicContact CG-CZ2 4.48Å; S271-W273 PolarHBondContact O-N 2.86Å
274	A	97.4	Very high	96.6	Very high	11 Å²	11	43.7 Å²	43.7	9%	0.091	24%	0.24	C	C	.	.			trans	-51.3	143.9	-175.3	0	0	0	0	0	112.7	Q270 S271 N276 E279 R280	Q270-A274 PolarHBondContact O-N 2.99Å; S271-A274 VanDerWaalsContact O-CB 3.31Å; S271-A274 WeakPolarHBondContact O-CB 3.21Å; S271-A274 PolarHBondContact O-N 3.44Å; A274-N276 VanDerWaalsContact C-N 3.34Å; A274-N276 PolarHBondContact O-N 3.11Å; A274-E279 HydrophobicContact CB-CB 3.89Å; A274-R280 HydrophobicContact CB-CG 4.01Å; A274-R280 PolarHBondContact O-NE 2.86Å; A274-R280 PolarHBondContact O-NH2 3.06Å; A274-R280 VanDerWaalsContact O-NH2 3.07Å
275	Q	94.4	Very high	96.6	Very high	79 Å²	79	45.9 Å²	45.9	37%	0.369	25%	0.247	S	C	.	.	S	Bend	trans	-61.1	-46.1	-176.8	-171.4	67.9	7.3	0	0	111	V242 S243 P277 R280	V242-Q275 PolarHBondContact O-OE1 3.4Å; S243-Q275 PolarHBondContact O-NE2 3.27Å; Q275-P277 WeakPolarHBondContact O-CD 3.45Å; Q275-R280 PolarHBondContact O-NH2 3.16Å
276	N	92.2	Very high	96.5	Very high	64 Å²	64	46 Å²	46	34%	0.342	25%	0.247	S	C	.	.	S	Bend	trans	-73.9	121.7	170.8	177.2	6.6	0	0	0	110.4	A274 D278 E279	A274-N276 VanDerWaalsContact C-N 3.34Å; A274-N276 PolarHBondContact O-N 3.11Å; N276-D278 PolarHBondContact O-N 3.49Å; N276-D278 PolarHBondContact OD1-N 3.41Å; N276-E279 HydrophobicContact CB-CB 4.46Å; N276-E279 HydrophobicContact CB-CG 4.23Å; N276-E279 VanDerWaalsContact CB-OE1 3.24Å; N276-E279 WeakPolarHBondContact CB-OE1 3.46Å; N276-E279 PolarHBondContact ND2-OE1 3.16Å; N276-E279 PolarHBondContact O-N 2.86Å
277	P	91.9	Very high	96.5	Very high	36 Å²	36	45.4 Å²	45.4	23%	0.234	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.7	176.8	-23.8	34.8	0	0	0	113.9	E196 K209 Q275 R280	E196-P277 HydrophobicContact CG-CG 4.05Å; K209-P277 HydrophobicContact CB-CB 3.99Å; K209-P277 WeakPolarHBondContact CD-O 3.4Å; K209-P277 HydrophobicContact CG-CB 4.45Å; K209-P277 WeakPolarHBondContact CG-O 3.43Å; K209-P277 PolarHBondContact NZ-O 3.16Å; Q275-P277 WeakPolarHBondContact O-CD 3.45Å; P277-R280 PolarHBondContact O-N 3.05Å
278	D	91	Very high	96.5	Very high	132 Å²	132	46.7 Å²	46.7	71%	0.706	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-27.5	-176.5	-76.2	-32.6	0	0	0	113.4	K209 N276 R280	K209-D278 VanDerWaalsContact NZ-C 3.26Å; K209-D278 VanDerWaalsContact NZ-CA 3.34Å; K209-D278 PolarHBondContact NZ-O 3.09Å; N276-D278 PolarHBondContact O-N 3.49Å; N276-D278 PolarHBondContact OD1-N 3.41Å; D278-R280 VanDerWaalsContact C-N 3.31Å; D278-R280 PolarHBondContact O-N 2.59Å
279	E	95.1	Very high	96.4	Very high	123 Å²	123	48.9 Å²	48.9	58%	0.575	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-24.6	173	-76.2	154	-141.8	0	0	113.2	A274 N276	A274-E279 HydrophobicContact CB-CB 3.89Å; N276-E279 HydrophobicContact CB-CB 4.46Å; N276-E279 HydrophobicContact CB-CG 4.23Å; N276-E279 VanDerWaalsContact CB-OE1 3.24Å; N276-E279 WeakPolarHBondContact CB-OE1 3.46Å; N276-E279 PolarHBondContact ND2-OE1 3.16Å; N276-E279 PolarHBondContact O-N 2.86Å
280	R	96.3	Very high	96.3	Very high	3 Å²	3	48.9 Å²	48.9	1%	0.011	26%	0.255	C	S	.	.	S	Bend	trans	-66.6	133.9	-177.5	-52.6	176.5	-166.7	149.1	11	111.2	E196 K209 I212 S271 G272 A274 Q275 P277 D278	E196-R280 IonicContact OE1-CZ 3.79Å; E196-R280 IonicContact OE1-NH1 3.08Å; E196-R280 PolarHBondContact OE1-NH1 2.85Å; E196-R280 IonicContact OE1-NH2 3.9Å; E196-R280 IonicContact OE2-CZ 2.61Å; E196-R280 IonicContact OE2-NH1 3.8Å; E196-R280 PolarHBondContact OE2-NH1 2.97Å; E196-R280 IonicContact OE2-NH2 2.67Å; E196-R280 PolarHBondContact OE2-NH2 3.39Å; K209-R280 HydrophobicContact CD-CB 4.27Å; K209-R280 WeakPolarHBondContact CE-O 3.45Å; K209-R280 PolarHBondContact NZ-O 2.85Å; K209-R280 WeakPolarHBondContact O-CD 3.11Å; K209-R280 PolarHBondContact O-NH1 3.11Å; I212-R280 HydrophobicContact CG2-CB 3.68Å; I212-R280 HydrophobicContact CG2-CG 4.43Å; S271-R280 WeakPolarHBondContact O-CA 3.44Å; G272-R280 VanDerWaalsContact O-CD 3.28Å; G272-R280 WeakPolarHBondContact O-CD 3.46Å; G272-R280 WeakPolarHBondContact O-CG 3.28Å; A274-R280 HydrophobicContact CB-CG 4.01Å; A274-R280 PolarHBondContact O-NE 2.86Å; A274-R280 PolarHBondContact O-NH2 3.06Å; A274-R280 VanDerWaalsContact O-NH2 3.07Å; Q275-R280 PolarHBondContact O-NH2 3.16Å; P277-R280 PolarHBondContact O-N 3.05Å; D278-R280 VanDerWaalsContact C-N 3.31Å; D278-R280 PolarHBondContact O-N 2.59Å
281	P	96.4	Very high	96.1	Very high	18 Å²	18	47.9 Å²	47.9	12%	0.117	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-65.6	169.4	-179.2	26.2	-34.8	0	0	0	113.3	I212 K285 C286	I212-P281 HydrophobicContact CD1-CG 4.35Å; I212-P281 HydrophobicContact CG1-CG 4.14Å; P281-K285 HydrophobicContact CB-CB 4.16Å; P281-K285 HydrophobicContact CB-CG 4.05Å; P281-C286 VanDerWaalsContact CG-SG 3.57Å
282	S	96.3	Very high	96.1	Very high	61 Å²	61	49.5 Å²	49.5	43%	0.427	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-86.2	155.7	161.8	63.2	0	0	0	0	110.3	L284 K285 C286	S282-L284 PolarHBondContact O-N 2.76Å; S282-K285 WeakPolarHBondContact O-CA 3.49Å; S282-K285 WeakPolarHBondContact O-CB 3.43Å; S282-K285 PolarHBondContact O-N 2.89Å; S282-K285 PolarHBondContact OG-N 2.84Å; S282-C286 PolarHBondContact O-N 2.77Å
283	F	97.4	Very high	96	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.009	26%	0.26	C	S	.	.	H	α-helix	trans	-58.6	-34.2	175.2	-78.5	-86.4	0	0	0	112.9	A129 V132 N133 H136 D211 I212 Y215 K285 C286 L287	A129-F283 HydrophobicContact CB-CD1 4.16Å; V132-F283 HydrophobicContact CB-CD1 4.04Å; V132-F283 HydrophobicContact CB-CD2 4.22Å; V132-F283 HydrophobicContact CB-CE1 3.82Å; V132-F283 HydrophobicContact CB-CE2 4.04Å; V132-F283 HydrophobicContact CB-CG 4.22Å; V132-F283 HydrophobicContact CB-CZ 3.82Å; V132-F283 HydrophobicContact CG1-CD1 4.38Å; V132-F283 HydrophobicContact CG1-CD2 3.71Å; V132-F283 HydrophobicContact CG1-CE1 4.05Å; V132-F283 HydrophobicContact CG1-CE2 3.34Å; V132-F283 HydrophobicContact CG1-CG 4.21Å; V132-F283 HydrophobicContact CG1-CZ 3.52Å; V132-F283 HydrophobicContact CG2-CE1 4.25Å; V132-F283 HydrophobicContact CG2-CZ 4.24Å; N133-F283 HydrophobicContact CB-CB 3.8Å; H136-F283 AromaticContact CE1-CD2 3.67Å; H136-F283 AromaticContact CE1-CE2 3.69Å; H136-F283 AromaticContact ND1-CD2 3.71Å; D211-F283 HydrophobicContact CB-CE2 3.94Å; D211-F283 HydrophobicContact CB-CZ 4.29Å; I212-F283 HydrophobicContact CB-CE2 3.95Å; I212-F283 HydrophobicContact CB-CZ 4.24Å; I212-F283 HydrophobicContact CD1-CD1 4.2Å; I212-F283 HydrophobicContact CD1-CD2 4.27Å; I212-F283 HydrophobicContact CD1-CE1 4Å; I212-F283 HydrophobicContact CD1-CE2 4.04Å; I212-F283 HydrophobicContact CD1-CG 4.34Å; I212-F283 HydrophobicContact CD1-CZ 3.91Å; Y215-F283 HydrophobicContact CD1-CD1 4.43Å; Y215-F283 AromaticContact CD1-CE1 3.7Å; Y215-F283 HydrophobicContact CD1-CE1 3.7Å; Y215-F283 HydrophobicContact CD1-CZ 4.37Å; Y215-F283 HydrophobicContact CD2-CE1 4.2Å; Y215-F283 HydrophobicContact CE1-CE1 4.35Å; Y215-F283 AromaticContact CG-CE1 3.61Å; Y215-F283 HydrophobicContact CG-CE1 3.61Å; Y215-F283 HydrophobicContact CG-CZ 4.11Å; F283-K285 VanDerWaalsContact C-N 3.33Å; F283-K285 PolarHBondContact O-N 3.32Å; F283-C286 WeakPolarHBondContact O-CB 3.48Å; F283-C286 PolarHBondContact O-N 3.41Å; F283-C286 VanDerWaalsContact O-N 3.16Å; F283-L287 WeakPolarHBondContact O-CG 3.43Å; F283-L287 PolarHBondContact O-N 2.92Å
284	L	97.3	Very high	95.9	Very high	94 Å²	94	49.9 Å²	49.9	49%	0.492	26%	0.263	S	S	.	.	H	α-helix	trans	-57.6	-41.8	170.5	179.3	61.3	0	0	0	112.6	N133 S282 L287 I288	N133-L284 PolarHBondContact OD1-N 3.48Å; S282-L284 PolarHBondContact O-N 2.76Å; L284-L287 PolarHBondContact O-N 3.48Å; L284-I288 HydrophobicContact CD1-CD1 4.35Å; L284-I288 HydrophobicContact CG-CD1 4.21Å; L284-I288 WeakPolarHBondContact O-CD1 3.34Å; L284-I288 VanDerWaalsContact O-CG1 3.31Å; L284-I288 WeakPolarHBondContact O-CG1 3.34Å; L284-I288 PolarHBondContact O-N 3.19Å; L284-I288 VanDerWaalsContact O-N 3.11Å
285	K	96.9	Very high	95.8	Very high	97 Å²	97	58 Å²	58	42%	0.422	29%	0.291	S	S	.	.	H	α-helix	trans	-66.9	-39.7	174.9	175.9	55.9	172.4	169.7	0	111.1	P281 S282 F283 L287 I288 E289	P281-K285 HydrophobicContact CB-CB 4.16Å; P281-K285 HydrophobicContact CB-CG 4.05Å; S282-K285 WeakPolarHBondContact O-CA 3.49Å; S282-K285 WeakPolarHBondContact O-CB 3.43Å; S282-K285 PolarHBondContact O-N 2.89Å; S282-K285 PolarHBondContact OG-N 2.84Å; F283-K285 VanDerWaalsContact C-N 3.33Å; F283-K285 PolarHBondContact O-N 3.32Å; K285-L287 PolarHBondContact O-N 3.14Å; K285-I288 PolarHBondContact O-N 3.49Å; K285-E289 HydrophobicContact CD-CG 4.44Å; K285-E289 WeakPolarHBondContact CE-OE1 3.41Å; K285-E289 IonicContact NZ-OE1 3.56Å; K285-E289 PolarHBondContact NZ-OE1 2.72Å; K285-E289 WeakPolarHBondContact O-CG 3.42Å; K285-E289 PolarHBondContact O-N 3.35Å
286	C	97.4	Very high	95.9	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.014	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-38.9	174.8	-62.1	0	0	0	0	112.7	I212 P281 S282 F283 E289 L290	I212-C286 VanDerWaalsContact CD1-SG 3.57Å; P281-C286 VanDerWaalsContact CG-SG 3.57Å; S282-C286 PolarHBondContact O-N 2.77Å; F283-C286 WeakPolarHBondContact O-CB 3.48Å; F283-C286 PolarHBondContact O-N 3.41Å; F283-C286 VanDerWaalsContact O-N 3.16Å; C286-E289 PolarHBondContact O-N 2.88Å; C286-L290 WeakPolarHBondContact O-CB 3.32Å; C286-L290 WeakPolarHBondContact O-CD1 3.4Å; C286-L290 VanDerWaalsContact O-CG 3.23Å; C286-L290 WeakPolarHBondContact O-CG 3.38Å; C286-L290 PolarHBondContact O-N 2.96Å
287	L	98.2	Very high	96.1	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-63.4	-45	175.8	-71.6	166.5	0	0	0	111.8	A129 L130 N133 F283 L284 K285 E289 L290 E291	A129-L287 HydrophobicContact CB-CD2 3.75Å; A129-L287 HydrophobicContact CB-CG 4.19Å; L130-L287 HydrophobicContact CD2-CD1 3.85Å; L130-L287 HydrophobicContact CD2-CD2 3.68Å; L130-L287 HydrophobicContact CD2-CG 4.41Å; L130-L287 HydrophobicContact CG-CD2 3.73Å; N133-L287 HydrophobicContact CB-CD1 3.68Å; F283-L287 WeakPolarHBondContact O-CG 3.43Å; F283-L287 PolarHBondContact O-N 2.92Å; L284-L287 PolarHBondContact O-N 3.48Å; K285-L287 PolarHBondContact O-N 3.14Å; L287-E289 PolarHBondContact O-N 3.35Å; L287-L290 PolarHBondContact O-N 3.5Å; L287-L290 VanDerWaalsContact O-N 3.11Å; L287-E291 WeakPolarHBondContact O-CB 3.4Å; L287-E291 WeakPolarHBondContact O-CG 3.5Å; L287-E291 PolarHBondContact O-N 3.06Å
288	I	98.1	Very high	96.3	Very high	93 Å²	93	61.6 Å²	61.6	48%	0.477	31%	0.308	S	S	.	.	H	α-helix	trans	-57.5	-32.9	176.2	-69.9	163.9	0	0	0	112.3	L284 K285 P292	L284-I288 HydrophobicContact CD1-CD1 4.35Å; L284-I288 HydrophobicContact CG-CD1 4.21Å; L284-I288 WeakPolarHBondContact O-CD1 3.34Å; L284-I288 VanDerWaalsContact O-CG1 3.31Å; L284-I288 WeakPolarHBondContact O-CG1 3.34Å; L284-I288 PolarHBondContact O-N 3.19Å; L284-I288 VanDerWaalsContact O-N 3.11Å; K285-I288 PolarHBondContact O-N 3.49Å; I288-P292 WeakPolarHBondContact O-CD 3.47Å
289	E	97.1	Very high	96.4	Very high	56 Å²	56	62.1 Å²	62.1	26%	0.262	31%	0.311	S	S	.	.	H	α-helix	trans	-83.4	-32.2	176.5	-62.1	-67.8	157.9	0	0	113.2	L264 L268 K285 C286 L287	L264-E289 HydrophobicContact CD1-CB 4.32Å; L268-E289 HydrophobicContact CD1-CB 4.06Å; L268-E289 HydrophobicContact CD2-CB 3.96Å; L268-E289 HydrophobicContact CD2-CG 4.1Å; L268-E289 HydrophobicContact CG-CB 4.44Å; K285-E289 HydrophobicContact CD-CG 4.44Å; K285-E289 WeakPolarHBondContact CE-OE1 3.41Å; K285-E289 IonicContact NZ-OE1 3.56Å; K285-E289 PolarHBondContact NZ-OE1 2.72Å; K285-E289 WeakPolarHBondContact O-CG 3.42Å; K285-E289 PolarHBondContact O-N 3.35Å; C286-E289 PolarHBondContact O-N 2.88Å; L287-E289 PolarHBondContact O-N 3.35Å
290	L	95.9	Very high	96.4	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-84.3	-30	-178.3	-71.4	167	0	0	0	113.4	A129 Y215 M265 L268 C286 L287 V293 L294	A129-L290 HydrophobicContact CB-CD1 4.48Å; Y215-L290 WeakPolarHBondContact OH-CD1 3.39Å; M265-L290 HydrophobicContact CE-CD2 4.01Å; M265-L290 HydrophobicContact SD-CD2 3.75Å; L268-L290 HydrophobicContact CD1-CD2 3.88Å; L268-L290 HydrophobicContact CD1-CG 4.03Å; C286-L290 WeakPolarHBondContact O-CB 3.32Å; C286-L290 WeakPolarHBondContact O-CD1 3.4Å; C286-L290 VanDerWaalsContact O-CG 3.23Å; C286-L290 WeakPolarHBondContact O-CG 3.38Å; C286-L290 PolarHBondContact O-N 2.96Å; L287-L290 PolarHBondContact O-N 3.5Å; L287-L290 VanDerWaalsContact O-N 3.11Å; L290-V293 WeakPolarHBondContact O-CB 3.4Å; L290-V293 PolarHBondContact O-N 2.59Å; L290-V293 VanDerWaalsContact O-N 3.09Å; L290-L294 PolarHBondContact O-N 3.02Å
291	E	95.7	Very high	96.5	Very high	73 Å²	73	62.2 Å²	62.2	34%	0.341	32%	0.316	S	S	.	.	H	α-helix	trans	-56.6	-46	178.9	-87	-174.3	-125	0	0	113.6	L287 V293 L294 R295	L287-E291 WeakPolarHBondContact O-CB 3.4Å; L287-E291 WeakPolarHBondContact O-CG 3.5Å; L287-E291 PolarHBondContact O-N 3.06Å; E291-V293 PolarHBondContact O-N 3.11Å; E291-L294 PolarHBondContact O-N 2.66Å; E291-R295 VanDerWaalsContact O-CG 3.28Å; E291-R295 WeakPolarHBondContact O-CG 3.48Å; E291-R295 PolarHBondContact O-N 3.33Å; E291-R295 IonicContact OE2-CZ 3.88Å; E291-R295 IonicContact OE2-NH2 3.9Å; E291-R295 PolarHBondContact OE2-NH2 2.96Å
292	P	96.4	Very high	96.4	Very high	72 Å²	72	62.3 Å²	62.3	47%	0.468	31%	0.314	S	S	.	.	H	α-helix	trans	-61.7	-31.6	175.1	-23.9	34.8	0	0	0	113.3	I288	I288-P292 WeakPolarHBondContact O-CD 3.47Å
293	V	96	Very high	96.4	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.006	32%	0.32	C	S	.	.	H	α-helix	trans	-73.3	-43.7	177.7	179.6	0	0	0	0	111	F122 H261 L264 L290 E291 R295 T296 F297	F122-V293 HydrophobicContact CD1-CG1 3.52Å; F122-V293 HydrophobicContact CE1-CG1 3.55Å; H261-V293 HydrophobicContact CB-CG1 4.33Å; H261-V293 HydrophobicContact CB-CG2 4.03Å; H261-V293 VanDerWaalsContact CD2-CG1 3.49Å; H261-V293 WeakPolarHBondContact CD2-CG1 3.49Å; L264-V293 HydrophobicContact CD2-CG2 3.76Å; L290-V293 WeakPolarHBondContact O-CB 3.4Å; L290-V293 PolarHBondContact O-N 2.59Å; L290-V293 VanDerWaalsContact O-N 3.09Å; E291-V293 PolarHBondContact O-N 3.11Å; V293-R295 PolarHBondContact O-N 3.13Å; V293-T296 PolarHBondContact O-N 3.4Å; V293-T296 PolarHBondContact O-OG1 2.89Å; V293-F297 HydrophobicContact CG1-CE2 4.36Å
294	L	95.7	Very high	96.4	Very high	24 Å²	24	69.5 Å²	69.5	13%	0.126	34%	0.344	C	S	.	.	H	α-helix	trans	-57.4	-36.9	176.5	-87.9	-99.5	0	0	0	112	F122 H126 L290 E291 T296 F297	F122-L294 HydrophobicContact CB-CD2 3.95Å; H126-L294 HydrophobicContact CB-CD1 3.86Å; H126-L294 HydrophobicContact CB-CD2 3.98Å; H126-L294 HydrophobicContact CB-CG 3.89Å; L290-L294 PolarHBondContact O-N 3.02Å; E291-L294 PolarHBondContact O-N 2.66Å; L294-T296 PolarHBondContact O-N 2.82Å; L294-F297 PolarHBondContact O-N 3.33Å
295	R	95.8	Very high	96.4	Very high	183 Å²	183	65.2 Å²	65.2	69%	0.691	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-1.5	178.3	-62.9	169.8	-158.6	-175.6	6.4	114.6	E291 V293	E291-R295 VanDerWaalsContact O-CG 3.28Å; E291-R295 WeakPolarHBondContact O-CG 3.48Å; E291-R295 PolarHBondContact O-N 3.33Å; E291-R295 IonicContact OE2-CZ 3.88Å; E291-R295 IonicContact OE2-NH2 3.9Å; E291-R295 PolarHBondContact OE2-NH2 2.96Å; V293-R295 PolarHBondContact O-N 3.13Å
296	T	97	Very high	96.4	Very high	80 Å²	80	61 Å²	61	49%	0.491	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-11.7	171.7	71.1	0	0	0	0	113.4	H261 V293 L294	H261-T296 PolarHBondContact NE2-OG1 3.28Å; V293-T296 PolarHBondContact O-N 3.4Å; V293-T296 PolarHBondContact O-OG1 2.89Å; L294-T296 PolarHBondContact O-N 2.82Å
297	F	96.8	Very high	96.3	Very high	32 Å²	32	64.2 Å²	64.2	14%	0.14	32%	0.321	C	S	.	.	S	Bend	trans	-95.4	132.3	173.9	-55.9	-67.4	0	0	0	110.4	W118 P119 F122 P260 V293 L294 F302	W118-F297 HydrophobicContact CB-CE1 4.4Å; P119-F297 HydrophobicContact CB-CB 4.24Å; P119-F297 HydrophobicContact CB-CD1 3.97Å; P119-F297 HydrophobicContact CB-CE1 4.48Å; P119-F297 HydrophobicContact CB-CG 4.02Å; P119-F297 HydrophobicContact CG-CD1 3.65Å; P119-F297 HydrophobicContact CG-CE1 4.07Å; P119-F297 HydrophobicContact CG-CG 4.21Å; F122-F297 HydrophobicContact CB-CD2 4.46Å; F122-F297 HydrophobicContact CB-CE2 3.63Å; F122-F297 HydrophobicContact CB-CZ 4.24Å; F122-F297 HydrophobicContact CD1-CE2 4.19Å; F122-F297 HydrophobicContact CD2-CE2 4.27Å; F122-F297 HydrophobicContact CD2-CZ 4.05Å; F122-F297 AromaticContact CG-CE2 3.77Å; F122-F297 HydrophobicContact CG-CE2 3.77Å; F122-F297 HydrophobicContact CG-CZ 4.02Å; P260-F297 HydrophobicContact CB-CE1 4.47Å; P260-F297 HydrophobicContact CB-CZ 4.03Å; P260-F297 HydrophobicContact CG-CE1 4.21Å; P260-F297 HydrophobicContact CG-CZ 4.07Å; V293-F297 HydrophobicContact CG1-CE2 4.36Å; L294-F297 PolarHBondContact O-N 3.33Å; F297-F302 HydrophobicContact CB-CE1 4.21Å; F297-F302 HydrophobicContact CB-CE2 4.09Å; F297-F302 HydrophobicContact CB-CZ 3.63Å; F297-F302 HydrophobicContact CD2-CE1 4.45Å; F297-F302 HydrophobicContact CD2-CZ 4.33Å; F297-F302 HydrophobicContact CG-CZ 4.35Å
298	E	95.9	Very high	96.1	Very high	141 Å²	141	67.6 Å²	67.6	66%	0.659	34%	0.336	S	S	*	.			trans	-75.3	144.4	172.5	-61.6	179.8	-167.1	0	0	110.6	I300 T301	E298-I300 HydrophobicContact CB-CG2 4.03Å; E298-I300 PolarHBondContact O-N 3.22Å; E298-T301 HydrophobicContact CB-CG2 4.27Å; E298-T301 WeakPolarHBondContact O-CB 3.41Å; E298-T301 PolarHBondContact O-N 2.8Å; E298-T301 PolarHBondContact O-OG1 3.19Å
299	D	92.3	Very high	96	Very high	144 Å²	144	63.3 Å²	63.3	77%	0.77	32%	0.315	S	S	*	.	H	α-helix	trans	-53.3	-35.5	-175.7	-71.7	-42.3	0	0	0	113.5	T301 F302	D299-T301 PolarHBondContact O-N 3.26Å; D299-F302 PolarHBondContact O-N 3.15Å
300	I	96.1	Very high	95.9	Very high	91 Å²	91	63.6 Å²	63.6	47%	0.467	32%	0.315	S	S	.	.	H	α-helix	trans	-59.5	-33.7	177.3	-167.7	167.4	0	0	0	112.5	E298 F302 L303 E304	E298-I300 HydrophobicContact CB-CG2 4.03Å; E298-I300 PolarHBondContact O-N 3.22Å; I300-F302 VanDerWaalsContact C-N 3.35Å; I300-F302 PolarHBondContact O-N 3.29Å; I300-L303 WeakPolarHBondContact O-CB 3.28Å; I300-L303 PolarHBondContact O-N 3.26Å; I300-L303 VanDerWaalsContact O-N 3.11Å; I300-E304 HydrophobicContact CG1-CG 4.24Å; I300-E304 WeakPolarHBondContact O-CG 3.49Å; I300-E304 PolarHBondContact O-N 3.45Å
301	T	97.1	Very high	95.7	Very high	36 Å²	36	69.7 Å²	69.7	22%	0.221	34%	0.341	C	S	.	.	H	α-helix	trans	-71.5	-27.9	-175.3	68.5	0	0	0	0	112.9	P119 E298 D299 A305	P119-T301 WeakPolarHBondContact CG-OG1 3.34Å; E298-T301 HydrophobicContact CB-CG2 4.27Å; E298-T301 WeakPolarHBondContact O-CB 3.41Å; E298-T301 PolarHBondContact O-N 2.8Å; E298-T301 PolarHBondContact O-OG1 3.19Å; D299-T301 PolarHBondContact O-N 3.26Å; T301-A305 WeakPolarHBondContact O-CB 3.38Å; T301-A305 PolarHBondContact O-N 3.08Å; T301-A305 VanDerWaalsContact O-N 3.15Å
302	F	95.8	Very high	95.3	Very high	21 Å²	21	67.2 Å²	67.2	9%	0.092	33%	0.332	C	S	.	.	H	α-helix	trans	-70.8	-39.5	170.1	-51.5	-78.1	0	0	0	110.9	P119 R123 F297 D299 I300 A305 V306	P119-F302 HydrophobicContact CB-CD1 3.59Å; P119-F302 HydrophobicContact CB-CE1 3.75Å; P119-F302 HydrophobicContact CB-CG 4.28Å; P119-F302 WeakPolarHBondContact O-CD1 3.26Å; P119-F302 VanDerWaalsContact O-CE1 3.23Å; P119-F302 WeakPolarHBondContact O-CE1 3.12Å; R123-F302 HydrophobicContact CB-CD1 3.89Å; R123-F302 HydrophobicContact CB-CE1 3.87Å; R123-F302 HydrophobicContact CG-CD1 4.34Å; R123-F302 HydrophobicContact CG-CE1 4.42Å; F297-F302 HydrophobicContact CB-CE1 4.21Å; F297-F302 HydrophobicContact CB-CE2 4.09Å; F297-F302 HydrophobicContact CB-CZ 3.63Å; F297-F302 HydrophobicContact CD2-CE1 4.45Å; F297-F302 HydrophobicContact CD2-CZ 4.33Å; F297-F302 HydrophobicContact CG-CZ 4.35Å; D299-F302 PolarHBondContact O-N 3.15Å; I300-F302 VanDerWaalsContact C-N 3.35Å; I300-F302 PolarHBondContact O-N 3.29Å; F302-A305 PolarHBondContact O-N 2.98Å; F302-V306 WeakPolarHBondContact O-CG2 3.31Å; F302-V306 PolarHBondContact O-N 2.84Å
303	L	95.6	Very high	94.9	Very high	103 Å²	103	66.3 Å²	66.3	54%	0.539	32%	0.32	S	S	.	.	H	α-helix	trans	-66.7	-43.6	177.9	179.1	60.4	0	0	0	111.4	I300 A305 V306 I307	I300-L303 WeakPolarHBondContact O-CB 3.28Å; I300-L303 PolarHBondContact O-N 3.26Å; I300-L303 VanDerWaalsContact O-N 3.11Å; L303-A305 PolarHBondContact O-N 3.27Å; L303-V306 PolarHBondContact O-N 2.98Å; L303-I307 HydrophobicContact CD1-CD1 4Å; L303-I307 HydrophobicContact CD1-CG1 4.29Å; L303-I307 HydrophobicContact CG-CD1 3.87Å; L303-I307 WeakPolarHBondContact O-CB 3.26Å; L303-I307 VanDerWaalsContact O-CG1 3.27Å; L303-I307 WeakPolarHBondContact O-CG1 3.33Å; L303-I307 PolarHBondContact O-N 3.39Å
304	E	97.2	Very high	94.4	Very high	111 Å²	111	71.8 Å²	71.8	52%	0.519	35%	0.348	S	S	.	.	H	α-helix	trans	-59	-45.5	174.2	-72.7	176.6	147.9	0	0	111.8	I300 V306 I307 Q308	I300-E304 HydrophobicContact CG1-CG 4.24Å; I300-E304 WeakPolarHBondContact O-CG 3.49Å; I300-E304 PolarHBondContact O-N 3.45Å; E304-V306 PolarHBondContact O-N 2.91Å; E304-I307 PolarHBondContact O-N 3.19Å; E304-Q308 WeakPolarHBondContact O-CB 3.37Å; E304-Q308 PolarHBondContact O-N 2.94Å
305	A	96.9	Very high	93.9	Very high	4 Å²	4	76.5 Å²	76.5	3%	0.033	37%	0.369	C	S	.	.	H	α-helix	trans	-60.8	-43.1	176.1	0	0	0	0	0	112.5	A117 L120 T301 F302 L303 Q308 L309	A117-A305 HydrophobicContact CB-CB 3.91Å; L120-A305 HydrophobicContact CB-CB 3.89Å; L120-A305 HydrophobicContact CD2-CB 4.34Å; T301-A305 WeakPolarHBondContact O-CB 3.38Å; T301-A305 PolarHBondContact O-N 3.08Å; T301-A305 VanDerWaalsContact O-N 3.15Å; F302-A305 PolarHBondContact O-N 2.98Å; L303-A305 PolarHBondContact O-N 3.27Å; A305-Q308 PolarHBondContact O-N 3.25Å; A305-L309 WeakPolarHBondContact O-CG 3.33Å; A305-L309 PolarHBondContact O-N 3.23Å; A305-L309 VanDerWaalsContact O-N 3.1Å
306	V	96.8	Very high	93.1	Very high	9 Å²	9	69.2 Å²	69.2	6%	0.055	35%	0.347	C	S	.	.	H	α-helix	trans	-64.7	-42.1	175.5	168.1	0	0	0	0	111.3	L120 E157 F158 F302 L303 E304 Q308 L309 K310	L120-V306 HydrophobicContact CD1-CG2 4.42Å; L120-V306 HydrophobicContact CD2-CG2 4.45Å; E157-V306 WeakPolarHBondContact O-CG2 3.44Å; F158-V306 HydrophobicContact CB-CG2 4.42Å; F158-V306 HydrophobicContact CD2-CG1 4.15Å; F158-V306 HydrophobicContact CD2-CG2 4.34Å; F302-V306 WeakPolarHBondContact O-CG2 3.31Å; F302-V306 PolarHBondContact O-N 2.84Å; L303-V306 PolarHBondContact O-N 2.98Å; E304-V306 PolarHBondContact O-N 2.91Å; V306-Q308 VanDerWaalsContact C-N 3.33Å; V306-Q308 PolarHBondContact O-N 3.01Å; V306-L309 PolarHBondContact O-N 3.26Å; V306-K310 HydrophobicContact CG1-CD 4.25Å; V306-K310 WeakPolarHBondContact O-CG 3.44Å; V306-K310 PolarHBondContact O-N 3.41Å
307	I	95.8	Very high	92.1	Very high	69 Å²	69	68 Å²	68	35%	0.354	34%	0.344	S	S	.	.	H	α-helix	trans	-63.4	-38.9	176	-71.7	168.4	0	0	0	111.1	L303 E304 K311	L303-I307 HydrophobicContact CD1-CD1 4Å; L303-I307 HydrophobicContact CD1-CG1 4.29Å; L303-I307 HydrophobicContact CG-CD1 3.87Å; L303-I307 WeakPolarHBondContact O-CB 3.26Å; L303-I307 VanDerWaalsContact O-CG1 3.27Å; L303-I307 WeakPolarHBondContact O-CG1 3.33Å; L303-I307 PolarHBondContact O-N 3.39Å; E304-I307 PolarHBondContact O-N 3.19Å; I307-K311 HydrophobicContact CG2-CD 4.03Å; I307-K311 VanDerWaalsContact O-CG 3.28Å; I307-K311 WeakPolarHBondContact O-CG 3.49Å; I307-K311 PolarHBondContact O-N 3.32Å
308	Q	95.2	Very high	90.7	Very high	76 Å²	76	69.5 Å²	69.5	36%	0.355	36%	0.359	S	S	.	.	H	α-helix	trans	-61.8	-50.5	176	-174.1	175.5	4.7	0	0	111.3	D115 E304 A305 V306 K310 K311 T312	D115-Q308 PolarHBondContact OD2-NE2 2.93Å; E304-Q308 WeakPolarHBondContact O-CB 3.37Å; E304-Q308 PolarHBondContact O-N 2.94Å; A305-Q308 PolarHBondContact O-N 3.25Å; V306-Q308 VanDerWaalsContact C-N 3.33Å; V306-Q308 PolarHBondContact O-N 3.01Å; Q308-K310 PolarHBondContact O-N 2.8Å; Q308-K311 WeakPolarHBondContact O-CB 3.42Å; Q308-K311 PolarHBondContact O-N 3.31Å; Q308-K311 VanDerWaalsContact O-N 3.15Å; Q308-T312 PolarHBondContact O-N 2.91Å
309	L	95.1	Very high	89	Confident	4 Å²	4	66.3 Å²	66.3	2%	0.021	35%	0.352	C	S	.	.	H	α-helix	trans	-64.7	-38.2	179	-63.5	177.5	0	0	0	112.9	L106 Y113 L116 L120 F158 A305 V306 K311 T312 K313	L106-L309 HydrophobicContact CD1-CD1 3.78Å; L106-L309 HydrophobicContact CD1-CD2 4.06Å; Y113-L309 HydrophobicContact CD1-CB 4.47Å; Y113-L309 HydrophobicContact CD1-CD2 3.72Å; Y113-L309 HydrophobicContact CG-CD2 4.38Å; L116-L309 HydrophobicContact CD1-CD1 3.97Å; L116-L309 HydrophobicContact CD1-CD2 4.27Å; L120-L309 HydrophobicContact CD2-CD1 3.31Å; L120-L309 HydrophobicContact CD2-CG 4.43Å; F158-L309 HydrophobicContact CD1-CD1 3.88Å; F158-L309 HydrophobicContact CD2-CD1 4.4Å; F158-L309 HydrophobicContact CE1-CB 4.22Å; F158-L309 HydrophobicContact CE1-CD1 3.74Å; F158-L309 HydrophobicContact CE2-CB 3.85Å; F158-L309 HydrophobicContact CE2-CD1 4.27Å; F158-L309 HydrophobicContact CG-CD1 4.23Å; F158-L309 HydrophobicContact CZ-CB 3.61Å; F158-L309 HydrophobicContact CZ-CD1 3.94Å; F158-L309 HydrophobicContact CZ-CG 4.46Å; A305-L309 WeakPolarHBondContact O-CG 3.33Å; A305-L309 PolarHBondContact O-N 3.23Å; A305-L309 VanDerWaalsContact O-N 3.1Å; V306-L309 PolarHBondContact O-N 3.26Å; L309-K311 VanDerWaalsContact C-N 3.29Å; L309-K311 PolarHBondContact O-N 3.3Å; L309-T312 PolarHBondContact O-N 3.45Å; L309-T312 PolarHBondContact O-OG1 2.96Å; L309-K313 VanDerWaalsContact O-CB 3.28Å; L309-K313 WeakPolarHBondContact O-CB 3.45Å; L309-K313 PolarHBondContact O-N 3.42Å
310	K	94	Very high	87.3	Confident	62 Å²	62	64.1 Å²	64.1	27%	0.27	35%	0.345	S	S	.	.	H	α-helix	trans	-61.4	-39.2	173.5	-73	-174.6	-178.7	-169.9	0	111.3	N156 E157 F158 V306 Q308 I314	N156-K310 PolarHBondContact ND2-NZ 2.9Å; N156-K310 WeakPolarHBondContact O-CE 3.41Å; N156-K310 PolarHBondContact O-NZ 2.9Å; N156-K310 VanDerWaalsContact O-NZ 3.11Å; E157-K310 IonicContact OE1-NZ 3.2Å; E157-K310 PolarHBondContact OE1-NZ 2.93Å; F158-K310 HydrophobicContact CE2-CG 4.12Å; V306-K310 HydrophobicContact CG1-CD 4.25Å; V306-K310 WeakPolarHBondContact O-CG 3.44Å; V306-K310 PolarHBondContact O-N 3.41Å; Q308-K310 PolarHBondContact O-N 2.8Å; K310-I314 WeakPolarHBondContact O-CD1 3.32Å; K310-I314 VanDerWaalsContact O-CG1 3.31Å; K310-I314 WeakPolarHBondContact O-CG1 3.44Å; K310-I314 PolarHBondContact O-N 3.41Å
311	K	91.6	Very high	85.2	Confident	127 Å²	127	65.4 Å²	65.4	55%	0.552	35%	0.351	S	S	*	.	H	α-helix	trans	-66	-48.9	175.3	-74	168.4	179	173.8	0	112.5	I307 Q308 L309 K313 I314 Q315	I307-K311 HydrophobicContact CG2-CD 4.03Å; I307-K311 VanDerWaalsContact O-CG 3.28Å; I307-K311 WeakPolarHBondContact O-CG 3.49Å; I307-K311 PolarHBondContact O-N 3.32Å; Q308-K311 WeakPolarHBondContact O-CB 3.42Å; Q308-K311 PolarHBondContact O-N 3.31Å; Q308-K311 VanDerWaalsContact O-N 3.15Å; L309-K311 VanDerWaalsContact C-N 3.29Å; L309-K311 PolarHBondContact O-N 3.3Å; K311-K313 VanDerWaalsContact C-N 3.32Å; K311-K313 PolarHBondContact O-N 2.84Å; K311-I314 PolarHBondContact O-N 2.83Å; K311-Q315 WeakPolarHBondContact O-CG 3.5Å; K311-Q315 PolarHBondContact O-N 2.79Å; K311-Q315 VanDerWaalsContact O-N 3.12Å
312	T	89.1	Confident	82.4	Confident	22 Å²	22	70.1 Å²	70.1	14%	0.135	37%	0.37	C	S	.	.	H	α-helix	trans	-63.6	-38.8	-179.3	65.7	0	0	0	0	111.8	E112 Q308 L309 I314 Q315 S316	E112-T312 WeakPolarHBondContact O-CB 3.41Å; E112-T312 PolarHBondContact O-OG1 2.93Å; Q308-T312 PolarHBondContact O-N 2.91Å; L309-T312 PolarHBondContact O-N 3.45Å; L309-T312 PolarHBondContact O-OG1 2.96Å; T312-I314 PolarHBondContact O-N 3.5Å; T312-Q315 PolarHBondContact O-N 3.1Å; T312-S316 PolarHBondContact O-N 2.92Å; T312-S316 PolarHBondContact O-OG 2.87Å
313	K	86.4	Confident	79.8	Confident	52 Å²	52	75.6 Å²	75.6	23%	0.226	40%	0.4	C	S	.	.	H	α-helix	trans	-63.1	-37.8	177.8	-171.2	173.5	-172.5	158.4	0	113.8	P99 N100 Y113 L309 K311 S316 A317	P99-K313 PolarHBondContact O-NZ 3.49Å; N100-K313 PolarHBondContact OD1-NZ 3.24Å; Y113-K313 HydrophobicContact CE1-CB 4.22Å; Y113-K313 HydrophobicContact CE1-CD 4.48Å; Y113-K313 WeakPolarHBondContact OH-CD 3.42Å; Y113-K313 WeakPolarHBondContact OH-CE 3.25Å; Y113-K313 PolarHBondContact OH-NZ 3.26Å; L309-K313 VanDerWaalsContact O-CB 3.28Å; L309-K313 WeakPolarHBondContact O-CB 3.45Å; L309-K313 PolarHBondContact O-N 3.42Å; K311-K313 VanDerWaalsContact C-N 3.32Å; K311-K313 PolarHBondContact O-N 2.84Å; K313-S316 PolarHBondContact O-OG 2.93Å; K313-A317 WeakPolarHBondContact O-CB 3.48Å; K313-A317 PolarHBondContact O-N 3.29Å
314	I	86.8	Confident	76.9	Confident	116 Å²	116	75.4 Å²	75.4	60%	0.595	41%	0.406	S	S	*	.	H	α-helix	trans	-70.2	-39.9	175.2	-68	166.1	0	0	0	110.6	K310 K311 T312 S318	K310-I314 WeakPolarHBondContact O-CD1 3.32Å; K310-I314 VanDerWaalsContact O-CG1 3.31Å; K310-I314 WeakPolarHBondContact O-CG1 3.44Å; K310-I314 PolarHBondContact O-N 3.41Å; K311-I314 PolarHBondContact O-N 2.83Å; T312-I314 PolarHBondContact O-N 3.5Å; I314-S318 WeakPolarHBondContact O-CB 3.26Å; I314-S318 PolarHBondContact O-N 2.99Å; I314-S318 PolarHBondContact O-OG 2.87Å
315	Q	84.4	Confident	74	Confident	123 Å²	123	76.1 Å²	76.1	58%	0.575	41%	0.414	S	S	*	.	H	α-helix	trans	-66.9	-41.8	177.9	-69.3	169.4	-9.2	0	0	112.6	K311 T312 S318 S319	K311-Q315 WeakPolarHBondContact O-CG 3.5Å; K311-Q315 PolarHBondContact O-N 2.79Å; K311-Q315 VanDerWaalsContact O-N 3.12Å; T312-Q315 PolarHBondContact O-N 3.1Å; Q315-S318 PolarHBondContact O-N 2.9Å; Q315-S319 WeakPolarHBondContact O-CB 3.33Å; Q315-S319 PolarHBondContact O-N 2.89Å; Q315-S319 PolarHBondContact O-OG 2.73Å
316	S	79.1	Confident	71	Confident	31 Å²	31	84.6 Å²	84.6	22%	0.217	45%	0.45	C	S	.	.	H	α-helix	trans	-65.4	-46.2	177	63	0	0	0	0	111.4	T312 K313 S318 S319 T320	T312-S316 PolarHBondContact O-N 2.92Å; T312-S316 PolarHBondContact O-OG 2.87Å; K313-S316 PolarHBondContact O-OG 2.93Å; S316-S318 PolarHBondContact O-N 3.34Å; S316-S319 WeakPolarHBondContact O-CB 3.3Å; S316-S319 PolarHBondContact O-N 3.35Å; S316-S319 VanDerWaalsContact O-N 3.11Å; S316-T320 PolarHBondContact O-N 2.88Å; S316-T320 PolarHBondContact O-OG1 3.34Å; S316-T320 VanDerWaalsContact O-OG1 3.06Å
317	A	75.6	Confident	68	Low	53 Å²	53	93.2 Å²	93.2	44%	0.438	49%	0.486	S	S	.	.	H	α-helix	trans	-58.7	-44	175.5	0	0	0	0	0	112.5	K313 S319 T320 I321	K313-A317 WeakPolarHBondContact O-CB 3.48Å; K313-A317 PolarHBondContact O-N 3.29Å; A317-S319 VanDerWaalsContact C-N 3.31Å; A317-S319 PolarHBondContact O-N 2.99Å; A317-T320 PolarHBondContact O-N 3.23Å; A317-I321 PolarHBondContact O-N 2.94Å
318	S	67.9	Low	65.1	Low	64 Å²	64	96 Å²	96	45%	0.448	51%	0.506	S	S	.	.	H	α-helix	trans	-62.2	-38	175.6	-56.3	0	0	0	0	112.3	I314 Q315 S316 I321 H322	I314-S318 WeakPolarHBondContact O-CB 3.26Å; I314-S318 PolarHBondContact O-N 2.99Å; I314-S318 PolarHBondContact O-OG 2.87Å; Q315-S318 PolarHBondContact O-N 2.9Å; S316-S318 PolarHBondContact O-N 3.34Å; S318-I321 PolarHBondContact O-N 3.3Å; S318-H322 PolarHBondContact O-N 3.26Å
319	S	59.7	Low	62.2	Low	74 Å²	74	99.8 Å²	99.8	52%	0.517	53%	0.529	S	S	.	.	H	α-helix	trans	-70	-35.2	178.4	-56.9	0	0	0	0	112.4	Q315 S316 A317 H322 L323	Q315-S319 WeakPolarHBondContact O-CB 3.33Å; Q315-S319 PolarHBondContact O-N 2.89Å; Q315-S319 PolarHBondContact O-OG 2.73Å; S316-S319 WeakPolarHBondContact O-CB 3.3Å; S316-S319 PolarHBondContact O-N 3.35Å; S316-S319 VanDerWaalsContact O-N 3.11Å; A317-S319 VanDerWaalsContact C-N 3.31Å; A317-S319 PolarHBondContact O-N 2.99Å; S319-H322 PolarHBondContact O-N 2.95Å; S319-L323 PolarHBondContact O-N 3.25Å
320	T	56.4	Low	59.1	Low	99 Å²	99	108 Å²	108	61%	0.607	57%	0.572	S	S	*	*	H	α-helix	trans	-63.7	-39.6	175.6	-54.5	0	0	0	0	112	S316 A317 L323 C324	S316-T320 PolarHBondContact O-N 2.88Å; S316-T320 PolarHBondContact O-OG1 3.34Å; S316-T320 VanDerWaalsContact O-OG1 3.06Å; A317-T320 PolarHBondContact O-N 3.23Å; T320-L323 PolarHBondContact O-N 2.96Å; T320-C324 PolarHBondContact O-N 3.36Å
321	I	51.7	Low	56	Low	118 Å²	118	110.1 Å²	110.1	61%	0.605	60%	0.595	S	S	*	*	H	α-helix	trans	-60.3	-48.8	175.8	-64.3	167.2	0	0	0	110	A317 S318 L323 C324	A317-I321 PolarHBondContact O-N 2.94Å; S318-I321 PolarHBondContact O-N 3.3Å; I321-L323 PolarHBondContact O-N 3.03Å; I321-C324 WeakPolarHBondContact O-CB 3.49Å; I321-C324 PolarHBondContact O-N 3.23Å
322	H	39.9	Very low	52.9	Low	134 Å²	134	112 Å²	112	62%	0.62	61%	0.607	S	S	*	*	H	α-helix	trans	-65.3	-17.1	179.2	-100.4	-42.4	0	0	0	115.3	S318 S319	S318-H322 PolarHBondContact O-N 3.26Å; S319-H322 PolarHBondContact O-N 2.95Å
323	L	39.9	Very low	50	Low	136 Å²	136	118.6 Å²	118.6	71%	0.712	64%	0.642	S	S	*	*	H	α-helix	trans	-82.9	-24.8	173.2	-122.2	74.1	0	0	0	112.8	S319 T320 I321 K326	S319-L323 PolarHBondContact O-N 3.25Å; T320-L323 PolarHBondContact O-N 2.96Å; I321-L323 PolarHBondContact O-N 3.03Å; L323-K326 PolarHBondContact O-N 3.22Å
324	C	35.4	Very low	47.4	Very low	100 Å²	100	122 Å²	122	68%	0.676	66%	0.661	S	S	*	*	H	α-helix	trans	-69.5	-45.4	179.7	-156.4	0	0	0	0	111.3	T320 I321 K326 K327	T320-C324 PolarHBondContact O-N 3.36Å; I321-C324 WeakPolarHBondContact O-CB 3.49Å; I321-C324 PolarHBondContact O-N 3.23Å; C324-K326 PolarHBondContact O-N 2.87Å; C324-K326 VanDerWaalsContact O-N 3.08Å; C324-K327 PolarHBondContact O-N 3.17Å
325	D	35.4	Very low	44.5	Very low	126 Å²	126	122.8 Å²	122.8	67%	0.674	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-14.5	178.2	-71.4	-27.9	0	0	0	114.2
326	K	34.5	Very low	41.7	Very low	182 Å²	182	122.6 Å²	122.6	79%	0.791	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	13.7	-176.9	-74.6	-171.2	173.7	-178.5	0	114.6	L323 C324	L323-K326 PolarHBondContact O-N 3.22Å; C324-K326 PolarHBondContact O-N 2.87Å; C324-K326 VanDerWaalsContact O-N 3.08Å
327	K	33.2	Very low	39.2	Very low	190 Å²	190	126.8 Å²	126.8	83%	0.826	71%	0.71	S	S	*	*			trans	-116.8	41.9	178.8	-147.9	178.4	-176.6	-179	0	114.5	C324	C324-K327 PolarHBondContact O-N 3.17Å
328	V	36.5	Very low	36.9	Very low	126 Å²	126	132.8 Å²	132.8	76%	0.764	73%	0.729	S	S	*	*			trans	-120.9	83.8	166.7	-174	0	0	0	0	109.5
329	D	34.2	Very low	35	Very low	157 Å²	157	135.1 Å²	135.1	84%	0.84	74%	0.743	S	S	*	*			trans	-176.2	107.1	139.7	-106.7	-20.9	0	0	0	110.6
330	L	29.6	Very low	34.1	Very low	175 Å²	175	137.2 Å²	137.2	92%	0.916	75%	0.754	S	S	*	*			trans	-168.1	125.8	156.4	-108.1	157.4	0	0	0	107.5
331	S	28	Very low	32.5	Very low	108 Å²	108	141.9 Å²	141.9	76%	0.755	77%	0.769	S	S	*	*			trans	-73.4	138	-161.9	46.6	0	0	0	0	114.3
332	M	26.9	Very low	31.3	Very low	165 Å²	165	145 Å²	145	81%	0.813	78%	0.782	S	S	*	*			trans	-69.4	138	163.2	-71.1	-173.8	-74.5	0	0	110.4
333	N	28.1	Very low	30.6	Very low	161 Å²	161	148.2 Å²	148.2	86%	0.861	80%	0.797	S	S	*	*			trans	-128.8	127	156.4	-99	-32.2	0	0	0	108
334	I	32.1	Very low	29.8	Very low	124 Å²	124	146.8 Å²	146.8	64%	0.636	80%	0.798	S	S	*	*			trans	-116.9	137.5	-176.3	-61.7	169.5	0	0	0	108.3	T336	I334-T336 HydrophobicContact CG2-CG2 3.67Å
335	P	26	Very low	29.2	Very low	132 Å²	132	148.2 Å²	148.2	86%	0.857	81%	0.808	S	S	*	*			trans	-111.4	134.9	142.8	-9.3	28.8	0	0	0	111.8
336	T	25.3	Very low	28.6	Very low	120 Å²	120	145.1 Å²	145.1	74%	0.736	81%	0.805	S	S	*	*			trans	-105	135.9	-179.8	50.1	0	0	0	0	112.3	I334	I334-T336 HydrophobicContact CG2-CG2 3.67Å
337	S	26	Very low	28.2	Very low	118 Å²	118	142.5 Å²	142.5	83%	0.825	81%	0.81	S	S	*	*			trans	-163.7	112.3	146.7	57	0	0	0	0	114.2
338	H	27.2	Very low	27.9	Very low	180 Å²	180	139 Å²	139	83%	0.833	81%	0.809	S	S	*	*			trans	-15.4	167.6	151.2	-79.7	-63	0	0	0	122.1
339	P	29.9	Very low	27.5	Very low	113 Å²	113	140.1 Å²	140.1	73%	0.734	81%	0.811	S	S	*	*				-124.3	-139.7	-126.3	48.9	-34.4	0	0	0	114.4
340	P	39.1	Very low	27	Very low	117 Å²	117	139.7 Å²	139.7	76%	0.76	81%	0.807	S	S	*	*			trans	-100.6	171.2	-138.7	42.5	-29.7	0	0	0	115.1
341	Q	24.6	Very low	26.9	Very low	197 Å²	197	136.4 Å²	136.4	92%	0.921	80%	0.799	S	S	*	*			trans	-144.8	159.5	162	-126.3	170.8	-13.9	0	0	112
342	E	26.2	Very low	26.8	Very low	185 Å²	185	141.4 Å²	141.4	86%	0.864	80%	0.801	S	S	*	*			trans	-89	158.8	-171.9	-53.9	166.6	120.3	0	0	111.9
343	E	24.9	Very low	26.8	Very low	201 Å²	201	140.3 Å²	140.3	94%	0.939	80%	0.799	S	S	*	*				-166.5	173.6	125.3	-114	177.6	-166	0	0	112.4
344	S	22.7	Very low	26.8	Very low	105 Å²	105	139.5 Å²	139.5	73%	0.734	80%	0.8	S	S	*	*			trans	-140.4	163.4	-168.4	-173.4	0	0	0	0	112
345	C	23.8	Very low	26.5	Very low	130 Å²	130	137.1 Å²	137.1	88%	0.878	81%	0.806	S	S	*	*			trans	65.6	156.3	-179	-60.1	0	0	0	0	115.5
346	G	21.9	Very low	26.6	Very low	61 Å²	61	136.6 Å²	136.6	63%	0.629	81%	0.806	S	S	*	*			cis	160.7	124	-12.4	0	0	0	0	0	114
347	S	25.6	Very low	27.5	Very low	127 Å²	127	137.2 Å²	137.2	89%	0.888	81%	0.812	S	S	*	*			trans	63.3	138	162	67.6	0	0	0	0	120.4
348	S	27.1	Very low	27.5	Very low	116 Å²	116	135.3 Å²	135.3	81%	0.811	81%	0.811	S	S	*	*			trans	-157.2	-137.2	154	58.6	0	0	0	0	111.2
349	L	27.5	Very low	27.6	Very low	151 Å²	151	133.9 Å²	133.9	79%	0.791	82%	0.815	S	S	*	*			trans	-147.8	154.5	-146.5	-65.4	176.6	0	0	0	110.9
350	L	25.6	Very low	27.5	Very low	147 Å²	147	134.1 Å²	134.1	77%	0.77	82%	0.819	S	S	*	*			cis	-139.7	-153.4	2.9	-124.6	170.8	0	0	0	108.1
351	S	26.1	Very low	26.9	Very low	107 Å²	107	140 Å²	140	75%	0.748	83%	0.826	S	S	*	*			cis	-131.8	-123.9	19.6	67.2	0	0	0	0	113.4
352	R	27.1	Very low	26.9	Very low	212 Å²	212	135.5 Å²	135.5	80%	0.8	82%	0.816	S	S	*	*			trans	-160.3	133	-165.8	-119.9	177.5	172	-179.6	-2.8	116.1
353	N	26.2	Very low	26.8	Very low	143 Å²	143	134.1 Å²	134.1	77%	0.765	81%	0.814	S	S	*	*			trans	51.8	153.7	145.2	-60.2	9.6	0	0	0	119.6
354	T	27.4	Very low	26.8	Very low	143 Å²	143	130 Å²	130	88%	0.877	81%	0.808	S	S	*	*			cis	-134.9	174.6	21.5	51.7	0	0	0	0	110.9
355	G	25.7	Very low	27	Very low	74 Å²	74	129.4 Å²	129.4	76%	0.763	81%	0.809	S	S	*	*			cis	-179.8	146.9	-6.2	0	0	0	0	0	110.2
356	S	27.8	Very low	27.6	Very low	122 Å²	122	128.1 Å²	128.1	85%	0.853	80%	0.799	S	S	*	*			trans	-107	-172.9	-172.6	-36.2	0	0	0	0	112
357	P	44.5	Very low	27.9	Very low	133 Å²	133	133.3 Å²	133.3	86%	0.864	81%	0.807	S	S	*	*			cis	-132.6	-172.2	-10.1	41.5	-24.4	0	0	0	113.9
358	G	26.4	Very low	28	Very low	78 Å²	78	132.5 Å²	132.5	80%	0.804	79%	0.792	S	S	*	*			trans	-171.1	122	167.3	0	0	0	0	0	115
359	T	29.6	Very low	28	Very low	149 Å²	149	134.2 Å²	134.2	91%	0.914	79%	0.786	S	S	*	*			trans	-99.6	153.7	179.2	42.9	0	0	0	0	113
360	S	27.9	Very low	28.1	Very low	119 Å²	119	134 Å²	134	83%	0.832	79%	0.785	S	S	*	*			trans	-88.8	136.4	-172.7	-33.9	0	0	0	0	113.9
361	R	27.2	Very low	28.1	Very low	240 Å²	240	135.4 Å²	135.4	91%	0.906	79%	0.785	S	S	*	*			trans	-167.3	122.6	144.6	-113.3	173.7	-168.2	-166.6	3.4	116.1
362	S	23.8	Very low	28.2	Very low	102 Å²	102	137.2 Å²	137.2	71%	0.713	79%	0.786	S	S	*	*			trans	81.8	142.6	136.8	83.7	0	0	0	0	123.3
363	L	24	Very low	28.2	Very low	157 Å²	157	132.6 Å²	132.6	82%	0.822	79%	0.786	S	S	*	*			trans	95.2	136.2	143.6	-76.1	169.5	0	0	0	123.2
364	S	25.3	Very low	28.1	Very low	114 Å²	114	129.8 Å²	129.8	80%	0.797	79%	0.791	S	S	*	*			trans	84.8	131.1	155.6	-24.9	0	0	0	0	120.4
365	A	27.5	Very low	28	Very low	92 Å²	92	126.4 Å²	126.4	76%	0.76	79%	0.785	S	S	*	*			trans	-88	177.9	155	0	0	0	0	0	110.2
366	P	35.3	Very low	29.3	Very low	103 Å²	103	128.8 Å²	128.8	67%	0.669	79%	0.787	S	S	*	*				-154.5	171	100.1	41.3	-24.6	0	0	0	117
367	Q	28.5	Very low	29.3	Very low	170 Å²	170	131.1 Å²	131.1	79%	0.794	78%	0.784	S	S	*	*			trans	67.4	150.4	141.7	-81.8	163.1	-9.7	0	0	120.4
368	D	27.1	Very low	28.5	Very low	110 Å²	110	132.1 Å²	132.1	59%	0.588	78%	0.782	S	S	*	*			cis	-153.1	-177.1	-12.8	-142	-21.1	0	0	0	112.5
369	K	27.9	Very low	28.5	Very low	153 Å²	153	131.6 Å²	131.6	67%	0.665	78%	0.777	S	S	*	*			trans	-38.3	154.7	-177	-52.8	117.5	-170.3	150.8	0	120.1
370	D	28.5	Very low	28.4	Very low	147 Å²	147	130 Å²	130	79%	0.786	77%	0.772	S	S	*	*				179.5	154.4	114.4	-89.6	-4.8	0	0	0	109.5
371	F	25.9	Very low	28.4	Very low	176 Å²	176	129.6 Å²	129.6	77%	0.772	77%	0.769	S	S	*	*			cis	-156	174.8	-28.8	-146.7	-98.4	0	0	0	108.6
372	L	27.9	Very low	28.4	Very low	144 Å²	144	123.8 Å²	123.8	75%	0.754	77%	0.765	S	S	*	*			trans	-58.5	164.9	173.6	-67.4	165.2	0	0	0	113.2
373	S	26.8	Very low	28.6	Very low	116 Å²	116	128.1 Å²	128.1	81%	0.811	77%	0.771	S	S	*	*			cis	-179.7	166.3	-1.6	42.6	0	0	0	0	109.6
374	G	25.7	Very low	28.7	Very low	84 Å²	84	127.2 Å²	127.2	87%	0.866	77%	0.766	S	S	*	*			trans	149.4	142.7	151.3	0	0	0	0	0	119.8
375	G	25.4	Very low	28.8	Very low	72 Å²	72	131.1 Å²	131.1	74%	0.742	77%	0.771	S	S	*	*			trans	-166.1	-172.3	161.4	0	0	0	0	0	107.4
376	P	51.9	Low	28.7	Very low	124 Å²	124	133.6 Å²	133.6	81%	0.805	77%	0.767	S	S	*	*			cis	-127.3	-137.1	-2.5	42.2	-23.4	0	0	0	111.5
377	Q	28.6	Very low	28.1	Very low	170 Å²	170	135 Å²	135	79%	0.794	78%	0.778	S	S	*	*			trans	80.6	147.3	177.6	-59.2	-171.6	1.2	0	0	116.2
378	D	27.9	Very low	27.9	Very low	155 Å²	155	132.4 Å²	132.4	83%	0.829	78%	0.778	S	S	*	*			cis	-164	169.3	-26.9	-119	-48.2	0	0	0	109.3
379	G	25.8	Very low	27.8	Very low	67 Å²	67	130.7 Å²	130.7	69%	0.691	79%	0.787	S	S	*	*			trans	127.2	109.3	154.5	0	0	0	0	0	120.4
380	S	28.2	Very low	27.7	Very low	116 Å²	116	130.3 Å²	130.3	81%	0.811	79%	0.792	S	S	*	*			trans	-12.4	157.3	144.3	56	0	0	0	0	121.1
381	S	27.2	Very low	27.6	Very low	110 Å²	110	131.8 Å²	131.8	77%	0.769	79%	0.794	S	S	*	*			cis	175	147.5	-12.4	56.2	0	0	0	0	111.8
382	S	27.8	Very low	27.5	Very low	117 Å²	117	127.9 Å²	127.9	82%	0.818	79%	0.788	S	S	*	*			trans	-168.5	108.6	149.6	33.4	0	0	0	0	114.3
383	K	27.9	Very low	27.4	Very low	193 Å²	193	131.8 Å²	131.8	84%	0.839	79%	0.793	S	S	*	*			trans	23	112.2	133.2	-61.4	-173	177.3	-179.5	0	117.9
384	L	25.8	Very low	27.3	Very low	139 Å²	139	133 Å²	133	73%	0.728	79%	0.791	S	S	*	*				86.5	117.6	69.3	-85.2	170.2	0	0	0	114.3
385	H	27.1	Very low	27.2	Very low	195 Å²	195	133 Å²	133	90%	0.903	79%	0.79	S	S	*	*				-155.6	132.6	114.6	-115.1	-78.5	0	0	0	111.6
386	H	25.6	Very low	27.2	Very low	145 Å²	145	134.3 Å²	134.3	67%	0.671	79%	0.794	S	S	*	*			trans	-89.3	154.6	168.1	-101.7	-77.8	0	0	0	110
387	C	22.8	Very low	25.9	Very low	132 Å²	132	135.2 Å²	135.2	89%	0.892	80%	0.797	S	S	*	*				-164.1	133	114.7	-106.1	0	0	0	0	111.4
388	S	24.3	Very low	25.6	Very low	115 Å²	115	132 Å²	132	80%	0.804	79%	0.793	S	S	*	*			trans	-111.3	147.4	169.4	-53.4	0	0	0	0	108.6
389	G	24.6	Very low	25.5	Very low	75 Å²	75	133.2 Å²	133.2	77%	0.773	79%	0.794	S	S	*	*			trans	-156.2	112.3	177.1	0	0	0	0	0	111.6
390	N	26.1	Very low	25.4	Very low	144 Å²	144	134.3 Å²	134.3	77%	0.77	79%	0.791	S	S	*	*			trans	-71.3	159.8	171.7	-62.8	-32.3	0	0	0	110.2
391	H	26.6	Very low	25.2	Very low	179 Å²	179	136.1 Å²	136.1	83%	0.829	79%	0.786	S	S	*	*				-171.3	146.5	100.3	-96.5	-71.3	0	0	0	112.1
392	S	23	Very low	25.1	Very low	93 Å²	93	140.4 Å²	140.4	65%	0.65	79%	0.786	S	S	*	*			trans	-79.4	168.8	167.2	-165.8	0	0	0	0	110.5
393	W	25.6	Very low	24.8	Very low	226 Å²	226	141.2 Å²	141.2	86%	0.856	79%	0.786	S	S	*	*				176	157	113.3	-95.1	100.7	0	0	0	111.4
394	D	25.4	Very low	24.6	Very low	143 Å²	143	136.8 Å²	136.8	77%	0.765	79%	0.785	S	S	*	*			trans	-71.8	164.6	-170.9	-50.9	-96.1	0	0	0	115.4
395	G	24.9	Very low	24.4	Very low	83 Å²	83	137 Å²	137	86%	0.856	79%	0.786	S	S	*	*			trans	177.7	107.5	167.2	0	0	0	0	0	113.5
396	A	24	Very low	24.3	Very low	99 Å²	99	133.7 Å²	133.7	82%	0.818	78%	0.784	S	S	*	*			trans	-108.1	159	172.3	0	0	0	0	0	110.9
397	V	24.3	Very low	24	Very low	143 Å²	143	133.6 Å²	133.6	87%	0.867	79%	0.788	S	S	*	*			trans	173.9	145.4	133.2	150.3	0	0	0	0	112.1
398	S	23.8	Very low	24.2	Very low	102 Å²	102	136.1 Å²	136.1	71%	0.713	79%	0.787	S	S	*	*			trans	-60.7	-173.5	-174.4	-45.9	0	0	0	0	120
399	E	24.5	Very low	24.1	Very low	181 Å²	181	141.8 Å²	141.8	85%	0.846	79%	0.79	S	S	*	*			trans	76.8	125.3	163.4	-55.6	-171.5	134.8	0	0	116.7
400	S	23.3	Very low	24.3	Very low	91 Å²	91	143.7 Å²	143.7	64%	0.636	79%	0.789	S	S	*	*			cis	100	112.7	16.8	83	0	0	0	0	116.3
401	H	24.8	Very low	24.1	Very low	153 Å²	153	142.9 Å²	142.9	71%	0.708	79%	0.789	S	S	*	*			trans	-179	146.6	135.7	-103.5	-16.8	0	0	0	115.5
402	R	24.5	Very low	24	Very low	201 Å²	201	142.1 Å²	142.1	76%	0.758	79%	0.791	S	S	*	*			trans	55.3	116.5	146.8	-59.6	165.6	-165.3	-123.7	1.4	117.7
403	T	22.6	Very low	24	Very low	134 Å²	134	144.2 Å²	144.2	82%	0.822	80%	0.803	S	S	*	*				65.3	111.9	56.3	-44.6	0	0	0	0	113.8
404	A	23.9	Very low	23.9	Very low	100 Å²	100	138.4 Å²	138.4	83%	0.826	80%	0.797	S	S	*	*			trans	-143.6	140.3	166.2	0	0	0	0	0	110
405	L	21.8	Very low	23.9	Very low	142 Å²	142	139.5 Å²	139.5	74%	0.743	80%	0.802	S	S	*	*			trans	-93.2	150.3	170.9	-81.3	70.3	0	0	0	109.7
406	C	23.3	Very low	23.8	Very low	126 Å²	126	139.6 Å²	139.6	85%	0.851	80%	0.795	S	S	*	*			trans	-140.6	103.5	156	-82.3	0	0	0	0	109.9
407	D	21.2	Very low	24.3	Very low	143 Å²	143	142.4 Å²	142.4	77%	0.765	80%	0.795	S	S	*	*			trans	-77	130.5	164.5	-84.8	-64.5	0	0	0	110.4
408	H	25.7	Very low	24.5	Very low	186 Å²	186	143.2 Å²	143.2	86%	0.861	79%	0.793	S	S	*	*			trans	-147.8	116.2	156	-84.1	-52	0	0	0	112.6
409	R	23	Very low	24.7	Very low	234 Å²	234	145 Å²	145	88%	0.883	80%	0.795	S	S	*	*			trans	-100.3	148.6	158.6	-127.6	-177.5	-172.7	-165.1	3.9	107.9
410	P	27.2	Very low	24.8	Very low	115 Å²	115	142.3 Å²	142.3	75%	0.747	79%	0.793	S	S	*	*				-143.2	136	114.5	33.3	-18.1	0	0	0	115.8
411	T	22.4	Very low	24.9	Very low	126 Å²	126	145.9 Å²	145.9	77%	0.773	80%	0.803	S	S	*	*			trans	30.4	140.1	135.5	-41.1	0	0	0	0	122.9
412	L	25.3	Very low	25	Very low	164 Å²	164	148.5 Å²	148.5	86%	0.859	81%	0.813	S	S	*	*			trans	-46.7	153	170.9	-71.7	63.1	0	0	0	115.7
413	C	21.5	Very low	25.1	Very low	136 Å²	136	145.2 Å²	145.2	92%	0.919	82%	0.815	S	S	*	*				-144.8	167	125.6	-150.2	0	0	0	0	111
414	S	24.6	Very low	25.4	Very low	104 Å²	104	144 Å²	144	73%	0.727	81%	0.813	S	S	*	*			trans	-110.1	152	-173.8	177.2	0	0	0	0	111.5
415	L	24.2	Very low	25.5	Very low	166 Å²	166	148.7 Å²	148.7	87%	0.869	81%	0.814	S	S	*	*			trans	-175.5	147.6	142.7	-104.9	161	0	0	0	115.6
416	A	24.5	Very low	25.7	Very low	86 Å²	86	147.5 Å²	147.5	71%	0.711	82%	0.818	S	S	*	*			trans	64.8	130.1	145.1	0	0	0	0	0	122.7
417	I	34.5	Very low	26	Very low	158 Å²	158	146.8 Å²	146.8	81%	0.81	81%	0.814	S	S	*	*			trans	-87.3	129.4	164.3	-62	158.8	0	0	0	109.4
418	I	26.8	Very low	26.5	Very low	160 Å²	160	148.5 Å²	148.5	82%	0.821	82%	0.818	S	S	*	*			trans	-143	138.6	151.9	-60.5	-173.5	0	0	0	108.9
419	N	29.8	Very low	27	Very low	140 Å²	140	149.5 Å²	149.5	75%	0.749	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-73	143.8	179.6	-72.1	-17.3	0	0	0	113.7
420	P	26.6	Very low	28	Very low	124 Å²	124	146 Å²	146	81%	0.805	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-77.3	142.9	146.3	-7.1	25.7	0	0	0	110.6
421	L	23.7	Very low	29.4	Very low	165 Å²	165	147.9 Å²	147.9	86%	0.864	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-66.9	152.1	-176.3	-72.9	144.6	0	0	0	113.6	V423	L421-V423 PolarHBondContact O-N 3.4Å
422	F	28.3	Very low	31.5	Very low	208 Å²	208	143.8 Å²	143.8	91%	0.912	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-55.1	124.5	165.6	-98.8	-112.1	0	0	0	110.9
423	V	25.3	Very low	34.1	Very low	133 Å²	133	136.9 Å²	136.9	81%	0.806	76%	0.755	S	S	*	*			trans	-120.3	103.4	156.8	178.1	0	0	0	0	107.2	L421 K425	L421-V423 PolarHBondContact O-N 3.4Å; V423-K425 PolarHBondContact O-N 2.77Å
424	S	30.1	Very low	37.3	Very low	109 Å²	109	135.6 Å²	135.6	76%	0.762	74%	0.738	S	S	*	*			trans	-74.3	106	-175.7	53.5	0	0	0	0	111.7
425	K	26.6	Very low	40.3	Very low	197 Å²	197	130.7 Å²	130.7	86%	0.857	70%	0.703	S	S	*	*			trans	-116.9	131.4	151.3	-76.4	-171.6	173.7	-176.7	0	108.6	V423 S427	V423-K425 PolarHBondContact O-N 2.77Å; K425-S427 PolarHBondContact O-N 2.76Å
426	S	25	Very low	43.5	Very low	118 Å²	118	124 Å²	124	83%	0.825	67%	0.667	S	S	*	*			trans	-70.7	107.9	-171.5	45.2	0	0	0	0	111.5	E428	S426-E428 PolarHBondContact O-N 3.01Å
427	S	29.2	Very low	46.6	Very low	110 Å²	110	124.5 Å²	124.5	77%	0.769	66%	0.655	S	S	*	*			trans	-76.4	110.9	160.3	177.6	0	0	0	0	108.3	K425 R429	K425-S427 PolarHBondContact O-N 2.76Å; S427-R429 PolarHBondContact O-N 3.2Å
428	E	31.8	Very low	49.4	Very low	180 Å²	180	118.4 Å²	118.4	84%	0.841	62%	0.622	S	S	*	*			trans	-72.7	75.6	167.3	-69.9	-165.2	143.7	0	0	109.7	S426 L430	S426-E428 PolarHBondContact O-N 3.01Å; E428-L430 PolarHBondContact O-N 2.9Å
429	R	36.3	Very low	52.6	Low	206 Å²	206	110.8 Å²	110.8	78%	0.777	58%	0.583	S	S	*	*			trans	-57.3	109.9	159.8	177.8	-178.4	-67.6	-168	-2.5	106.7	S427 Q431	S427-R429 PolarHBondContact O-N 3.2Å; R429-Q431 PolarHBondContact O-N 2.85Å; R429-Q431 VanDerWaalsContact O-N 3.07Å
430	L	45.2	Very low	55.5	Low	161 Å²	161	108 Å²	108	84%	0.843	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-49.7	121.5	174.6	-85.7	86.1	0	0	0	108.3	E428	E428-L430 PolarHBondContact O-N 2.9Å
431	Q	55.2	Low	58.6	Low	154 Å²	154	106.3 Å²	106.3	72%	0.72	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-66	127	175.6	-64.7	-63.9	-25.5	0	0	107.4	R429 G433	R429-Q431 PolarHBondContact O-N 2.85Å; R429-Q431 VanDerWaalsContact O-N 3.07Å; Q431-G433 PolarHBondContact O-N 2.82Å
432	P	66.4	Low	61.9	Low	40 Å²	40	101.2 Å²	101.2	26%	0.26	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-56.3	142.5	174.5	21.4	-30.4	0	0	0	109.1	Q436 Q437	P432-Q436 HydrophobicContact CB-CB 4.22Å; P432-Q436 HydrophobicContact CB-CG 4.14Å; P432-Q437 HydrophobicContact CB-CG 4.04Å; P432-Q437 HydrophobicContact CG-CG 3.73Å; P432-Q437 WeakPolarHBondContact O-CG 3.32Å; P432-Q437 PolarHBondContact O-NE2 2.95Å
433	G	80.9	Confident	65	Low	20 Å²	20	93.9 Å²	93.9	21%	0.206	49%	0.494	C	S	.	.			trans	-69.9	174.3	-174.9	0	0	0	0	0	113.2	Q431 A435 Q436 Q437 E498	Q431-G433 PolarHBondContact O-N 2.82Å; G433-A435 VanDerWaalsContact C-N 3.3Å; G433-A435 PolarHBondContact O-N 2.78Å; G433-Q436 PolarHBondContact O-N 2.85Å; G433-Q437 WeakPolarHBondContact O-CB 3.12Å; G433-Q437 WeakPolarHBondContact O-CG 3.49Å; G433-Q437 PolarHBondContact O-N 3.31Å; G433-E498 VanDerWaalsContact CA-CD 3.44Å; G433-E498 WeakPolarHBondContact CA-OE2 3.38Å
434	I	87.9	Confident	68.2	Low	109 Å²	109	92.1 Å²	92.1	56%	0.559	48%	0.477	S	S	*	.	H	α-helix	trans	-64.3	-38	-173.1	-55.7	177.6	0	0	0	110.6	W438 E498 P520	I434-W438 VanDerWaalsContact O-CB 3.27Å; I434-W438 WeakPolarHBondContact O-CB 3.32Å; I434-W438 PolarHBondContact O-N 3.4Å; I434-W438 VanDerWaalsContact O-N 3.14Å; I434-E498 PolarHBondContact N-OE1 3.3Å; I434-E498 VanDerWaalsContact N-OE1 3.12Å; I434-E498 PolarHBondContact N-OE2 3.24Å; I434-P520 HydrophobicContact CG2-CB 3.72Å
435	A	88.7	Confident	71.2	Confident	0 Å²	0	90 Å²	90	0%	0	46%	0.456	C	S	.	.	H	α-helix	trans	-67	-45.3	174.6	0	0	0	0	0	111.8	G433 W438 I439 E498 A501 K502 V505 M522	G433-A435 VanDerWaalsContact C-N 3.3Å; G433-A435 PolarHBondContact O-N 2.78Å; A435-W438 PolarHBondContact O-N 3.19Å; A435-I439 WeakPolarHBondContact O-CG1 3.09Å; A435-I439 PolarHBondContact O-N 3.44Å; A435-E498 WeakPolarHBondContact CA-OE2 3.42Å; A435-E498 WeakPolarHBondContact CB-OE1 3.22Å; A435-E498 WeakPolarHBondContact CB-OE2 3.29Å; A435-E498 PolarHBondContact N-OE1 3.2Å; A435-E498 PolarHBondContact N-OE2 3.2Å; A435-A501 HydrophobicContact CB-CB 3.57Å; A435-K502 HydrophobicContact CB-CB 4.49Å; A435-K502 HydrophobicContact CB-CG 3.81Å; A435-V505 HydrophobicContact CB-CG2 4.22Å; A435-M522 HydrophobicContact CB-CE 3.25Å; A435-M522 HydrophobicContact CB-SD 4.4Å
436	Q	90.9	Very high	74.4	Confident	25 Å²	25	80.6 Å²	80.6	12%	0.117	42%	0.416	C	S	.	.	H	α-helix	trans	-65.9	-46.4	-177.7	-166.2	176.5	12.3	0	0	111.7	P432 G433 W438 I439 Q440 D494 E498 A501	P432-Q436 HydrophobicContact CB-CB 4.22Å; P432-Q436 HydrophobicContact CB-CG 4.14Å; G433-Q436 PolarHBondContact O-N 2.85Å; Q436-W438 VanDerWaalsContact C-N 3.35Å; Q436-W438 PolarHBondContact O-N 3.05Å; Q436-I439 PolarHBondContact O-N 3.08Å; Q436-Q440 WeakPolarHBondContact O-CB 3.46Å; Q436-Q440 VanDerWaalsContact O-CG 3.31Å; Q436-Q440 WeakPolarHBondContact O-CG 3.25Å; Q436-Q440 PolarHBondContact O-N 3.39Å; Q436-D494 PolarHBondContact NE2-O 3.48Å; Q436-D494 VanDerWaalsContact NE2-O 3.15Å; Q436-E498 PolarHBondContact N-OE2 3.41Å; Q436-A501 HydrophobicContact CB-CB 4.23Å
437	Q	90.4	Very high	77.7	Confident	98 Å²	98	75.1 Å²	75.1	46%	0.458	38%	0.377	S	S	.	.	H	α-helix	trans	-59.2	-44	173.8	-72.9	-175	28.7	0	0	112.1	P432 G433 Q440 S441	P432-Q437 HydrophobicContact CB-CG 4.04Å; P432-Q437 HydrophobicContact CG-CG 3.73Å; P432-Q437 WeakPolarHBondContact O-CG 3.32Å; P432-Q437 PolarHBondContact O-NE2 2.95Å; G433-Q437 WeakPolarHBondContact O-CB 3.12Å; G433-Q437 WeakPolarHBondContact O-CG 3.49Å; G433-Q437 PolarHBondContact O-N 3.31Å; Q437-Q440 PolarHBondContact O-N 2.9Å; Q437-S441 WeakPolarHBondContact O-CB 3.43Å; Q437-S441 PolarHBondContact O-N 2.92Å
438	W	92.6	Very high	80.5	Confident	29 Å²	29	73.4 Å²	73.4	11%	0.11	37%	0.365	C	S	.	.	H	α-helix	trans	-63.4	-46.4	178.9	-177.6	93.7	0	0	0	111.3	I434 A435 Q436 Q440 S441 K442 I446 V505 L508 L516 P518 Y519 P520	I434-W438 VanDerWaalsContact O-CB 3.27Å; I434-W438 WeakPolarHBondContact O-CB 3.32Å; I434-W438 PolarHBondContact O-N 3.4Å; I434-W438 VanDerWaalsContact O-N 3.14Å; A435-W438 PolarHBondContact O-N 3.19Å; Q436-W438 VanDerWaalsContact C-N 3.35Å; Q436-W438 PolarHBondContact O-N 3.05Å; W438-Q440 VanDerWaalsContact C-N 3.34Å; W438-Q440 PolarHBondContact O-N 3.01Å; W438-S441 PolarHBondContact O-N 3.21Å; W438-S441 PolarHBondContact O-OG 2.92Å; W438-K442 HydrophobicContact CD2-CG 4.47Å; W438-K442 HydrophobicContact CZ2-CG 4.45Å; W438-K442 WeakPolarHBondContact O-CB 3.41Å; W438-K442 PolarHBondContact O-N 2.9Å; W438-I446 HydrophobicContact CZ3-CD1 3.95Å; W438-V505 HydrophobicContact CE3-CG2 3.7Å; W438-V505 HydrophobicContact CZ3-CG2 3.89Å; W438-L508 HydrophobicContact CH2-CD1 4.4Å; W438-L508 HydrophobicContact CZ3-CD1 4.11Å; W438-L516 HydrophobicContact CH2-CB 4.04Å; W438-L516 HydrophobicContact CH2-CD1 4.38Å; W438-L516 HydrophobicContact CZ2-CB 4.21Å; W438-L516 WeakPolarHBondContact CZ2-O 3.47Å; W438-P518 PolarHBondContact NE1-O 3.02Å; W438-Y519 AromaticContact CH2-CD1 3.64Å; W438-Y519 HydrophobicContact CH2-CD1 3.64Å; W438-Y519 AromaticContact CH2-CE1 3.65Å; W438-Y519 HydrophobicContact CH2-CE1 3.65Å; W438-Y519 AromaticContact CZ2-CD1 3.66Å; W438-Y519 HydrophobicContact CZ2-CD1 3.66Å; W438-Y519 HydrophobicContact CZ2-CE1 4.02Å; W438-Y519 HydrophobicContact CZ2-CG 4.42Å; W438-P520 HydrophobicContact CB-CG 4.14Å; W438-P520 HydrophobicContact CD2-CG 4.32Å; W438-P520 HydrophobicContact CG-CG 3.97Å
439	I	93.3	Very high	83.3	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59.2	-44.4	176.1	-76.4	-176.4	0	0	0	111.1	A435 Q436 S441 K442 R443 I446 L490 T493 A501 I504 V505	A435-I439 WeakPolarHBondContact O-CG1 3.09Å; A435-I439 PolarHBondContact O-N 3.44Å; Q436-I439 PolarHBondContact O-N 3.08Å; I439-S441 PolarHBondContact O-N 2.95Å; I439-K442 CarbonylContact O-C 3.56Å; I439-K442 PolarHBondContact O-N 2.78Å; I439-K442 VanDerWaalsContact O-N 3.14Å; I439-R443 WeakPolarHBondContact O-CA 3.39Å; I439-R443 PolarHBondContact O-N 2.7Å; I439-I446 HydrophobicContact CB-CD1 4.31Å; I439-I446 HydrophobicContact CG1-CD1 4.11Å; I439-I446 HydrophobicContact CG2-CD1 4.23Å; I439-L490 HydrophobicContact CG2-CD2 3.81Å; I439-T493 HydrophobicContact CD1-CG2 3.95Å; I439-T493 HydrophobicContact CG2-CG2 4.34Å; I439-A501 HydrophobicContact CD1-CB 3.86Å; I439-I504 HydrophobicContact CD1-CB 3.98Å; I439-I504 HydrophobicContact CD1-CG2 3.81Å; I439-V505 HydrophobicContact CD1-CG2 3.97Å; I439-V505 HydrophobicContact CG1-CG2 3.89Å
440	Q	92.1	Very high	86	Confident	83 Å²	83	57.9 Å²	57.9	39%	0.388	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-43.8	176.5	-72.9	170.9	-4.5	0	0	111.6	Q436 Q437 W438 K442 D494	Q436-Q440 WeakPolarHBondContact O-CB 3.46Å; Q436-Q440 VanDerWaalsContact O-CG 3.31Å; Q436-Q440 WeakPolarHBondContact O-CG 3.25Å; Q436-Q440 PolarHBondContact O-N 3.39Å; Q437-Q440 PolarHBondContact O-N 2.9Å; W438-Q440 VanDerWaalsContact C-N 3.34Å; W438-Q440 PolarHBondContact O-N 3.01Å; Q440-K442 PolarHBondContact O-N 3.46Å; Q440-D494 VanDerWaalsContact CG-OD1 3.31Å; Q440-D494 WeakPolarHBondContact CG-OD1 3.32Å; Q440-D494 PolarHBondContact NE2-OD1 3.17Å
441	S	91.8	Very high	88.3	Confident	88 Å²	88	52.7 Å²	52.7	62%	0.615	28%	0.277	S	S	*	.	H	α-helix	trans	-65.7	-20.7	176.7	81.2	0	0	0	0	114	Q437 W438 I439	Q437-S441 WeakPolarHBondContact O-CB 3.43Å; Q437-S441 PolarHBondContact O-N 2.92Å; W438-S441 PolarHBondContact O-N 3.21Å; W438-S441 PolarHBondContact O-OG 2.92Å; I439-S441 PolarHBondContact O-N 2.95Å
442	K	91.8	Very high	90	Very high	57 Å²	57	49.4 Å²	49.4	25%	0.248	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	13.3	-173.5	-75.4	-76.9	166	-176.5	0	114.1	W438 I439 Q440 E444 D445 I446	W438-K442 HydrophobicContact CD2-CG 4.47Å; W438-K442 HydrophobicContact CZ2-CG 4.45Å; W438-K442 WeakPolarHBondContact O-CB 3.41Å; W438-K442 PolarHBondContact O-N 2.9Å; I439-K442 CarbonylContact O-C 3.56Å; I439-K442 PolarHBondContact O-N 2.78Å; I439-K442 VanDerWaalsContact O-N 3.14Å; Q440-K442 PolarHBondContact O-N 3.46Å; K442-E444 PolarHBondContact O-N 3.47Å; K442-D445 HydrophobicContact CD-CB 4.01Å; K442-D445 WeakPolarHBondContact CD-OD2 3.49Å; K442-D445 WeakPolarHBondContact CE-OD2 3.43Å; K442-D445 IonicContact NZ-OD2 2.71Å; K442-D445 PolarHBondContact NZ-OD2 3.44Å; K442-D445 PolarHBondContact O-N 2.95Å; K442-D445 VanDerWaalsContact O-N 3.12Å; K442-I446 HydrophobicContact CB-CD1 3.91Å; K442-I446 HydrophobicContact CB-CG1 4.17Å; K442-I446 VanDerWaalsContact O-CG1 3.32Å; K442-I446 WeakPolarHBondContact O-CG1 3.33Å; K442-I446 PolarHBondContact O-N 3.39Å
443	R	93.8	Very high	91.2	Very high	54 Å²	54	50.3 Å²	50.3	20%	0.204	27%	0.272	C	S	.	.	H	α-helix	trans	-48.9	-53.1	-169.8	-160.5	-172.7	-155.8	83.6	-4.7	113.7	I439 I446 V447 L490 D491 D494	I439-R443 WeakPolarHBondContact O-CA 3.39Å; I439-R443 PolarHBondContact O-N 2.7Å; R443-I446 PolarHBondContact O-N 2.64Å; R443-V447 WeakPolarHBondContact O-CG2 3.06Å; R443-V447 PolarHBondContact O-N 2.67Å; R443-L490 HydrophobicContact CB-CD1 4.44Å; R443-L490 HydrophobicContact CG-CB 4.49Å; R443-L490 HydrophobicContact CG-CD1 3.62Å; R443-D491 IonicContact CZ-OD1 3.53Å; R443-D491 IonicContact NH2-OD1 2.59Å; R443-D491 PolarHBondContact NH2-OD1 3Å; R443-D494 IonicContact CZ-OD2 3.61Å; R443-D494 IonicContact NH1-OD1 3.79Å; R443-D494 IonicContact NH1-OD2 3.68Å; R443-D494 PolarHBondContact NH1-OD2 3.3Å; R443-D494 IonicContact NH2-OD2 3.19Å; R443-D494 PolarHBondContact NH2-OD2 2.82Å
444	E	93.3	Very high	91.8	Very high	97 Å²	97	49.3 Å²	49.3	45%	0.453	26%	0.262	S	S	.	.	H	α-helix	trans	-78.8	-27.6	-176.1	-64.7	-60.8	126	0	0	113.4	K442 I446 V447 S448 R487	K442-E444 PolarHBondContact O-N 3.47Å; E444-I446 VanDerWaalsContact C-N 3.35Å; E444-V447 PolarHBondContact O-N 2.75Å; E444-S448 WeakPolarHBondContact O-CB 3.42Å; E444-S448 PolarHBondContact O-N 2.72Å; E444-S448 PolarHBondContact O-OG 3.46Å; E444-R487 IonicContact OE1-CZ 3.65Å; E444-R487 IonicContact OE1-NE 2.79Å; E444-R487 PolarHBondContact OE1-NE 2.83Å; E444-R487 IonicContact OE1-NH2 2.66Å; E444-R487 IonicContact OE2-CZ 3.45Å; E444-R487 IonicContact OE2-NE 2.67Å; E444-R487 IonicContact OE2-NH2 2.67Å; E444-R487 PolarHBondContact OE2-NH2 3.22Å
445	D	91.2	Very high	92.1	Very high	63 Å²	63	44.1 Å²	44.1	34%	0.337	24%	0.236	S	C	.	.	H	α-helix	trans	-63.9	-42.5	168.7	-71.2	-15.7	0	0	0	110.4	K442 S448 Q449 L516	K442-D445 HydrophobicContact CD-CB 4.01Å; K442-D445 WeakPolarHBondContact CD-OD2 3.49Å; K442-D445 WeakPolarHBondContact CE-OD2 3.43Å; K442-D445 IonicContact NZ-OD2 2.71Å; K442-D445 PolarHBondContact NZ-OD2 3.44Å; K442-D445 PolarHBondContact O-N 2.95Å; K442-D445 VanDerWaalsContact O-N 3.12Å; D445-S448 PolarHBondContact O-OG 3.3Å; D445-Q449 WeakPolarHBondContact O-CB 3.41Å; D445-Q449 WeakPolarHBondContact O-CG 3.24Å; D445-Q449 PolarHBondContact O-N 3.36Å; D445-L516 HydrophobicContact CB-CD2 3.64Å
446	I	93.8	Very high	92.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-48.9	175.4	-64.5	162.4	0	0	0	110.1	W438 I439 K442 R443 E444 S448 Q449 M450 V486 L490 L508 L516	W438-I446 HydrophobicContact CZ3-CD1 3.95Å; I439-I446 HydrophobicContact CB-CD1 4.31Å; I439-I446 HydrophobicContact CG1-CD1 4.11Å; I439-I446 HydrophobicContact CG2-CD1 4.23Å; K442-I446 HydrophobicContact CB-CD1 3.91Å; K442-I446 HydrophobicContact CB-CG1 4.17Å; K442-I446 VanDerWaalsContact O-CG1 3.32Å; K442-I446 WeakPolarHBondContact O-CG1 3.33Å; K442-I446 PolarHBondContact O-N 3.39Å; R443-I446 PolarHBondContact O-N 2.64Å; E444-I446 VanDerWaalsContact C-N 3.35Å; I446-S448 VanDerWaalsContact C-N 3.28Å; I446-S448 PolarHBondContact O-N 3.13Å; I446-Q449 PolarHBondContact O-N 3.41Å; I446-M450 HydrophobicContact CG2-CB 4.24Å; I446-M450 HydrophobicContact CG2-SD 3.8Å; I446-M450 WeakPolarHBondContact O-CB 3.2Å; I446-M450 PolarHBondContact O-N 3.43Å; I446-V486 HydrophobicContact CG2-CG1 4.25Å; I446-L490 HydrophobicContact CB-CD1 4.19Å; I446-L490 HydrophobicContact CG2-CD1 4.02Å; I446-L490 HydrophobicContact CG2-CD2 4.32Å; I446-L508 HydrophobicContact CD1-CD1 4.27Å; I446-L508 HydrophobicContact CG1-CD1 4.11Å; I446-L508 HydrophobicContact CG2-CD1 4.18Å; I446-L508 HydrophobicContact CG2-CD2 4.33Å; I446-L516 HydrophobicContact CG1-CD1 4.01Å; I446-L516 HydrophobicContact CG1-CD2 4.11Å
447	V	94.7	Very high	92.5	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-37.4	179.6	169.8	0	0	0	0	112.5	R443 E444 R482 T483 V486 R487 L490	R443-V447 WeakPolarHBondContact O-CG2 3.06Å; R443-V447 PolarHBondContact O-N 2.67Å; E444-V447 PolarHBondContact O-N 2.75Å; V447-R482 PolarHBondContact O-NH2 2.94Å; V447-T483 HydrophobicContact CG1-CG2 3.48Å; V447-T483 VanDerWaalsContact CG1-CG2 3.48Å; V447-V486 HydrophobicContact CB-CG1 4.46Å; V447-V486 HydrophobicContact CG2-CG1 3.94Å; V447-R487 HydrophobicContact CG1-CG 4.09Å; V447-R487 HydrophobicContact CG2-CG 3.54Å; V447-L490 HydrophobicContact CG2-CD1 4.03Å
448	S	89.4	Confident	92.7	Very high	74 Å²	74	45 Å²	45	52%	0.517	24%	0.242	S	C	.	.	H	α-helix	trans	-77	-39.7	178.8	58.8	0	0	0	0	113.4	E444 D445 I446 R482	E444-S448 WeakPolarHBondContact O-CB 3.42Å; E444-S448 PolarHBondContact O-N 2.72Å; E444-S448 PolarHBondContact O-OG 3.46Å; D445-S448 PolarHBondContact O-OG 3.3Å; I446-S448 VanDerWaalsContact C-N 3.28Å; I446-S448 PolarHBondContact O-N 3.13Å; S448-R482 VanDerWaalsContact C-NH2 3.35Å; S448-R482 PolarHBondContact O-NH2 3.45Å
449	Q	89.9	Confident	92.8	Very high	60 Å²	60	43.7 Å²	43.7	28%	0.28	24%	0.237	S	C	.	.	H	α-helix	trans	-86.7	-42.9	-176	-64.8	-178.9	50.4	0	0	113.8	D445 I446 T451 Q513 G515	D445-Q449 WeakPolarHBondContact O-CB 3.41Å; D445-Q449 WeakPolarHBondContact O-CG 3.24Å; D445-Q449 PolarHBondContact O-N 3.36Å; I446-Q449 PolarHBondContact O-N 3.41Å; Q449-T451 PolarHBondContact O-N 3.38Å; Q449-T451 VanDerWaalsContact O-N 3.11Å; Q449-Q513 PolarHBondContact O-OE1 3.24Å; Q449-Q513 VanDerWaalsContact O-OE1 3.06Å; Q449-G515 VanDerWaalsContact NE2-C 3.31Å; Q449-G515 PolarHBondContact NE2-O 3.1Å
450	M	93.6	Very high	92.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.258	C	S	.	.			trans	-54.8	113.5	-167.6	-175.2	166.1	-180	0	0	112.8	I446 C454 L455 R482 V486 L489 L508	I446-M450 HydrophobicContact CG2-CB 4.24Å; I446-M450 HydrophobicContact CG2-SD 3.8Å; I446-M450 WeakPolarHBondContact O-CB 3.2Å; I446-M450 PolarHBondContact O-N 3.43Å; M450-C454 HydrophobicContact CG-CB 4.32Å; M450-L455 HydrophobicContact CE-CB 4.1Å; M450-L455 HydrophobicContact CE-CD1 4.22Å; M450-R482 VanDerWaalsContact O-CD 3.3Å; M450-R482 WeakPolarHBondContact O-CD 3.39Å; M450-R482 VanDerWaalsContact O-CZ 3.29Å; M450-R482 PolarHBondContact O-NE 2.86Å; M450-R482 VanDerWaalsContact O-NE 3.1Å; M450-V486 HydrophobicContact CB-CG1 4.34Å; M450-V486 HydrophobicContact CB-CG2 4.21Å; M450-V486 HydrophobicContact CG-CG1 4.48Å; M450-V486 HydrophobicContact CG-CG2 4.05Å; M450-V486 HydrophobicContact SD-CG1 3.72Å; M450-V486 HydrophobicContact SD-CG2 4.01Å; M450-L489 HydrophobicContact CE-CD2 3.61Å; M450-L508 HydrophobicContact CB-CD2 4.16Å; M450-L508 HydrophobicContact CG-CD2 3.95Å; M450-L508 HydrophobicContact SD-CD2 3.92Å
451	T	93.1	Very high	92.7	Very high	53 Å²	53	44.2 Å²	44.2	33%	0.325	24%	0.244	S	C	.	.			trans	-72	156.1	-179.7	66.7	0	0	0	0	111.9	Q449 A453 C454 L455	Q449-T451 PolarHBondContact O-N 3.38Å; Q449-T451 VanDerWaalsContact O-N 3.11Å; T451-A453 PolarHBondContact O-N 2.84Å; T451-C454 WeakPolarHBondContact O-CB 3.48Å; T451-C454 PolarHBondContact O-N 2.85Å; T451-C454 VanDerWaalsContact O-N 3.1Å; T451-C454 WeakPolarHBondContact OG1-CB 3.35Å; T451-C454 PolarHBondContact OG1-N 3.11Å; T451-C454 VanDerWaalsContact OG1-N 3.13Å; T451-L455 PolarHBondContact O-N 3.37Å
452	E	91.6	Very high	92.8	Very high	85 Å²	85	40 Å²	40	40%	0.397	22%	0.215	S	C	.	.	H	α-helix	trans	-65	-30.3	177.2	-169.3	153.6	-145.6	0	0	112.3	L455 N456 R482 K485	E452-L455 PolarHBondContact O-N 3.44Å; E452-N456 VanDerWaalsContact O-CG 3.23Å; E452-N456 PolarHBondContact O-N 3.3Å; E452-N456 PolarHBondContact O-OD1 2.97Å; E452-R482 HydrophobicContact CB-CG 4.3Å; E452-K485 IonicContact OE1-NZ 3.75Å; E452-K485 PolarHBondContact OE1-NZ 2.88Å
453	A	90.3	Very high	92.7	Very high	58 Å²	58	40.2 Å²	40.2	48%	0.479	22%	0.218	S	C	.	.	H	α-helix	trans	-65.1	-40.5	170.5	0	0	0	0	0	112.7	T451 Q457	T451-A453 PolarHBondContact O-N 2.84Å; A453-Q457 WeakPolarHBondContact O-CB 3.37Å; A453-Q457 VanDerWaalsContact O-CG 3.24Å; A453-Q457 WeakPolarHBondContact O-CG 3.4Å; A453-Q457 PolarHBondContact O-N 3.07Å; A453-Q457 VanDerWaalsContact O-N 3.13Å; A453-Q457 PolarHBondContact O-NE2 2.97Å
454	C	93.8	Very high	92.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68.2	-38.3	174.2	-174.1	0	0	0	0	111.6	M450 T451 S458 K507 N511	M450-C454 HydrophobicContact CG-CB 4.32Å; T451-C454 WeakPolarHBondContact O-CB 3.48Å; T451-C454 PolarHBondContact O-N 2.85Å; T451-C454 VanDerWaalsContact O-N 3.1Å; T451-C454 WeakPolarHBondContact OG1-CB 3.35Å; T451-C454 PolarHBondContact OG1-N 3.11Å; T451-C454 VanDerWaalsContact OG1-N 3.13Å; C454-S458 WeakPolarHBondContact O-CB 3.43Å; C454-S458 PolarHBondContact O-N 3.05Å; C454-S458 PolarHBondContact O-OG 3.46Å; C454-S458 VanDerWaalsContact O-OG 3.12Å; C454-K507 PolarHBondContact SG-O 3.35Å; C454-N511 HydrophobicContact CB-CB 3.86Å
455	L	94.4	Very high	92.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-51.1	176.2	168.3	64.8	0	0	0	112.1	M450 T451 E452 Q457 S458 L459 K485 V486 L489	M450-L455 HydrophobicContact CE-CB 4.1Å; M450-L455 HydrophobicContact CE-CD1 4.22Å; T451-L455 PolarHBondContact O-N 3.37Å; E452-L455 PolarHBondContact O-N 3.44Å; L455-Q457 PolarHBondContact O-N 2.85Å; L455-S458 WeakPolarHBondContact O-CB 3.44Å; L455-S458 PolarHBondContact O-N 3.37Å; L455-S458 VanDerWaalsContact O-N 3.16Å; L455-L459 HydrophobicContact CD1-CD1 3.9Å; L455-L459 HydrophobicContact CD1-CG 4.22Å; L455-L459 HydrophobicContact CG-CD1 4.15Å; L455-L459 WeakPolarHBondContact O-CG 3.22Å; L455-L459 PolarHBondContact O-N 3.23Å; L455-K485 HydrophobicContact CD2-CB 3.52Å; L455-K485 HydrophobicContact CD2-CD 3.72Å; L455-K485 HydrophobicContact CD2-CG 4.26Å; L455-V486 HydrophobicContact CD1-CG2 4.31Å; L455-V486 HydrophobicContact CD2-CG2 4.19Å; L455-L489 HydrophobicContact CD1-CD2 3.81Å
456	N	93.3	Very high	92.2	Very high	69 Å²	69	48 Å²	48	37%	0.369	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-46.1	179.6	-64.2	-6.3	0	0	0	110.1	E452 S458 L459 D460	E452-N456 VanDerWaalsContact O-CG 3.23Å; E452-N456 PolarHBondContact O-N 3.3Å; E452-N456 PolarHBondContact O-OD1 2.97Å; N456-S458 VanDerWaalsContact C-N 3.28Å; N456-S458 PolarHBondContact O-N 2.98Å; N456-L459 PolarHBondContact O-N 2.84Å; N456-L459 VanDerWaalsContact O-N 3.1Å; N456-D460 WeakPolarHBondContact O-CB 3.37Å; N456-D460 PolarHBondContact O-N 2.83Å
457	Q	94.2	Very high	91.8	Very high	71 Å²	71	50.4 Å²	50.4	33%	0.332	28%	0.277	S	S	.	.	H	α-helix	trans	-60.8	-31.4	174.6	-72.8	172.9	51.2	0	0	114.1	A453 L455 A461 K507 N511	A453-Q457 WeakPolarHBondContact O-CB 3.37Å; A453-Q457 VanDerWaalsContact O-CG 3.24Å; A453-Q457 WeakPolarHBondContact O-CG 3.4Å; A453-Q457 PolarHBondContact O-N 3.07Å; A453-Q457 VanDerWaalsContact O-N 3.13Å; A453-Q457 PolarHBondContact O-NE2 2.97Å; L455-Q457 PolarHBondContact O-N 2.85Å; Q457-A461 WeakPolarHBondContact O-CB 3.49Å; Q457-A461 PolarHBondContact O-N 2.66Å; Q457-K507 HydrophobicContact CB-CD 4.09Å; Q457-N511 PolarHBondContact NE2-OD1 2.81Å; Q457-N511 PolarHBondContact OE1-ND2 3.3Å; Q457-N511 PolarHBondContact OE1-OD1 2.87Å
458	S	94.8	Very high	91.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.2	-47.3	172.3	-72.8	0	0	0	0	111	C454 L455 N456 A461 L462 K507	C454-S458 WeakPolarHBondContact O-CB 3.43Å; C454-S458 PolarHBondContact O-N 3.05Å; C454-S458 PolarHBondContact O-OG 3.46Å; C454-S458 VanDerWaalsContact O-OG 3.12Å; L455-S458 WeakPolarHBondContact O-CB 3.44Å; L455-S458 PolarHBondContact O-N 3.37Å; L455-S458 VanDerWaalsContact O-N 3.16Å; N456-S458 VanDerWaalsContact C-N 3.28Å; N456-S458 PolarHBondContact O-N 2.98Å; S458-A461 PolarHBondContact O-N 2.8Å; S458-L462 WeakPolarHBondContact O-CB 3.41Å; S458-L462 WeakPolarHBondContact O-CD1 3.48Å; S458-L462 WeakPolarHBondContact O-CG 3.44Å; S458-L462 PolarHBondContact O-N 3.25Å; S458-K507 VanDerWaalsContact OG-CB 3.24Å; S458-K507 WeakPolarHBondContact OG-CB 3.43Å
459	L	94.1	Very high	91.4	Very high	2 Å²	2	52 Å²	52	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-62.8	-44.5	178.2	-70.5	168.7	0	0	0	111.9	L455 N456 A461 L462 L463 I468 Y473 I476 L489	L455-L459 HydrophobicContact CD1-CD1 3.9Å; L455-L459 HydrophobicContact CD1-CG 4.22Å; L455-L459 HydrophobicContact CG-CD1 4.15Å; L455-L459 WeakPolarHBondContact O-CG 3.22Å; L455-L459 PolarHBondContact O-N 3.23Å; N456-L459 PolarHBondContact O-N 2.84Å; N456-L459 VanDerWaalsContact O-N 3.1Å; L459-A461 VanDerWaalsContact C-N 3.33Å; L459-A461 PolarHBondContact O-N 2.94Å; L459-L462 PolarHBondContact O-N 3.44Å; L459-L463 WeakPolarHBondContact O-CB 3.5Å; L459-L463 PolarHBondContact O-N 3.31Å; L459-I468 HydrophobicContact CD2-CD1 3.94Å; L459-Y473 HydrophobicContact CB-CD2 3.83Å; L459-Y473 HydrophobicContact CB-CE2 3.68Å; L459-Y473 HydrophobicContact CD1-CD2 4.5Å; L459-Y473 HydrophobicContact CD1-CE2 4.32Å; L459-Y473 HydrophobicContact CD2-CD2 4.19Å; L459-Y473 HydrophobicContact CG-CD2 4.41Å; L459-Y473 HydrophobicContact CG-CE2 4.46Å; L459-I476 HydrophobicContact CD1-CG2 3.93Å; L459-I476 HydrophobicContact CD2-CB 4.33Å; L459-I476 HydrophobicContact CD2-CD1 3.8Å; L459-I476 HydrophobicContact CD2-CG2 4.05Å; L459-L489 HydrophobicContact CD2-CD1 3.93Å
460	D	92.1	Very high	91	Very high	83 Å²	83	54.8 Å²	54.8	44%	0.444	29%	0.289	S	S	.	.	H	α-helix	trans	-61.8	-40.1	174.6	-63.1	-29.9	0	0	0	111.6	N456 L462 S464	N456-D460 WeakPolarHBondContact O-CB 3.37Å; N456-D460 PolarHBondContact O-N 2.83Å; D460-L462 VanDerWaalsContact C-N 3.32Å; D460-S464 VanDerWaalsContact O-CB 3.28Å; D460-S464 WeakPolarHBondContact O-CB 3.45Å; D460-S464 PolarHBondContact O-N 2.64Å; D460-S464 PolarHBondContact O-OG 3.07Å
461	A	92.3	Very high	90.6	Very high	11 Å²	11	60.8 Å²	60.8	9%	0.091	32%	0.317	C	S	.	.	H	α-helix	trans	-72.3	-23.4	177.2	0	0	0	0	0	113.6	Q457 S458 L459 S464 R465 V503 K507	Q457-A461 WeakPolarHBondContact O-CB 3.49Å; Q457-A461 PolarHBondContact O-N 2.66Å; S458-A461 PolarHBondContact O-N 2.8Å; L459-A461 VanDerWaalsContact C-N 3.33Å; L459-A461 PolarHBondContact O-N 2.94Å; A461-S464 WeakPolarHBondContact CA-OG 3.37Å; A461-R465 VanDerWaalsContact O-CD 3.26Å; A461-R465 WeakPolarHBondContact O-CD 3.45Å; A461-R465 VanDerWaalsContact O-CG 3.23Å; A461-R465 WeakPolarHBondContact O-CG 3.4Å; A461-V503 HydrophobicContact CB-CG1 3.77Å; A461-K507 HydrophobicContact CB-CD 4.36Å; A461-K507 HydrophobicContact CB-CG 4.28Å
462	L	93.9	Very high	90.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-81.9	-44.8	173.2	-71.1	163	0	0	0	110.7	S458 L459 D460 R465 D466 L467 I468 L489 F500 V503 I504	S458-L462 WeakPolarHBondContact O-CB 3.41Å; S458-L462 WeakPolarHBondContact O-CD1 3.48Å; S458-L462 WeakPolarHBondContact O-CG 3.44Å; S458-L462 PolarHBondContact O-N 3.25Å; L459-L462 PolarHBondContact O-N 3.44Å; D460-L462 VanDerWaalsContact C-N 3.32Å; L462-R465 PolarHBondContact O-N 3.46Å; L462-D466 PolarHBondContact O-N 2.8Å; L462-L467 HydrophobicContact CB-CB 4.41Å; L462-L467 HydrophobicContact CD2-CB 3.77Å; L462-L467 HydrophobicContact CD2-CD1 4.05Å; L462-L467 PolarHBondContact O-N 2.77Å; L462-I468 HydrophobicContact CB-CB 4.01Å; L462-I468 HydrophobicContact CB-CG2 3.64Å; L462-L489 HydrophobicContact CD1-CD1 3.87Å; L462-F500 HydrophobicContact CD1-CD1 4.29Å; L462-F500 HydrophobicContact CD1-CD2 4.41Å; L462-F500 HydrophobicContact CD1-CE1 3.8Å; L462-F500 HydrophobicContact CD1-CE2 3.91Å; L462-F500 HydrophobicContact CD1-CZ 3.59Å; L462-F500 HydrophobicContact CD2-CB 4.45Å; L462-F500 HydrophobicContact CD2-CD1 4.2Å; L462-F500 HydrophobicContact CD2-CD2 3.64Å; L462-F500 HydrophobicContact CD2-CE1 4.46Å; L462-F500 HydrophobicContact CD2-CE2 3.92Å; L462-F500 HydrophobicContact CD2-CG 3.8Å; L462-F500 HydrophobicContact CD2-CZ 4.33Å; L462-F500 HydrophobicContact CG-CE2 4.41Å; L462-V503 HydrophobicContact CD2-CB 3.85Å; L462-V503 HydrophobicContact CD2-CG1 3.89Å; L462-V503 HydrophobicContact CD2-CG2 4.33Å; L462-V503 HydrophobicContact CG-CB 4.45Å; L462-V503 HydrophobicContact CG-CG1 3.96Å; L462-I504 HydrophobicContact CD1-CD1 4.45Å; L462-I504 HydrophobicContact CD1-CG1 4.33Å
463	L	89.5	Confident	90.2	Very high	62 Å²	62	59.2 Å²	59.2	33%	0.325	31%	0.305	S	S	.	.	H	α-helix	trans	-59.2	-48	174	-81.3	179.3	0	0	0	111.5	L459 R465 D466 I468 Y473	L459-L463 WeakPolarHBondContact O-CB 3.5Å; L459-L463 PolarHBondContact O-N 3.31Å; L463-R465 PolarHBondContact O-N 2.71Å; L463-D466 PolarHBondContact O-N 3.45Å; L463-I468 HydrophobicContact CB-CG2 4.4Å; L463-I468 HydrophobicContact CD2-CG2 3.72Å; L463-I468 HydrophobicContact CG-CG2 3.78Å; L463-Y473 HydrophobicContact CD1-CD1 4.36Å; L463-Y473 HydrophobicContact CD1-CD2 3.34Å; L463-Y473 HydrophobicContact CD1-CE2 3.48Å; L463-Y473 VanDerWaalsContact CD1-CE2 3.48Å; L463-Y473 HydrophobicContact CD1-CG 3.83Å; L463-Y473 HydrophobicContact CD2-CD2 4.34Å; L463-Y473 HydrophobicContact CD2-CG 4.34Å; L463-Y473 HydrophobicContact CG-CD2 3.77Å; L463-Y473 HydrophobicContact CG-CE2 4.32Å; L463-Y473 HydrophobicContact CG-CG 4.25Å
464	S	89	Confident	90.1	Very high	96 Å²	96	60.6 Å²	60.6	67%	0.671	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	5.7	179.2	58	0	0	0	0	115	D460 A461	D460-S464 VanDerWaalsContact O-CB 3.28Å; D460-S464 WeakPolarHBondContact O-CB 3.45Å; D460-S464 PolarHBondContact O-N 2.64Å; D460-S464 PolarHBondContact O-OG 3.07Å; A461-S464 WeakPolarHBondContact CA-OG 3.37Å
465	R	88.7	Confident	89.9	Confident	133 Å²	133	64.3 Å²	64.3	50%	0.502	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	7.5	173.7	-66.1	179.1	-177.2	-144.4	2.8	112.9	A461 L462 L463 L467	A461-R465 VanDerWaalsContact O-CD 3.26Å; A461-R465 WeakPolarHBondContact O-CD 3.45Å; A461-R465 VanDerWaalsContact O-CG 3.23Å; A461-R465 WeakPolarHBondContact O-CG 3.4Å; L462-R465 PolarHBondContact O-N 3.46Å; L463-R465 PolarHBondContact O-N 2.71Å; R465-L467 HydrophobicContact CB-CB 4.5Å; R465-L467 HydrophobicContact CB-CD1 3.83Å; R465-L467 HydrophobicContact CB-CG 3.88Å; R465-L467 PolarHBondContact O-N 2.77Å; R465-L467 VanDerWaalsContact O-N 3.15Å
466	D	88.9	Confident	89.8	Confident	148 Å²	148	64.3 Å²	64.3	79%	0.791	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	27.6	-173.6	-54.4	-58.3	0	0	0	113.7	L462 L463	L462-D466 PolarHBondContact O-N 2.8Å; L463-D466 PolarHBondContact O-N 3.45Å
467	L	87.1	Confident	89.6	Confident	51 Å²	51	62.8 Å²	62.8	27%	0.267	32%	0.316	S	S	.	.			trans	-89.7	-10.6	-179.7	-71.2	173	0	0	0	113.5	L462 R465 E499 F500 V503	L462-L467 HydrophobicContact CB-CB 4.41Å; L462-L467 HydrophobicContact CD2-CB 3.77Å; L462-L467 HydrophobicContact CD2-CD1 4.05Å; L462-L467 PolarHBondContact O-N 2.77Å; R465-L467 HydrophobicContact CB-CB 4.5Å; R465-L467 HydrophobicContact CB-CD1 3.83Å; R465-L467 HydrophobicContact CB-CG 3.88Å; R465-L467 PolarHBondContact O-N 2.77Å; R465-L467 VanDerWaalsContact O-N 3.15Å; L467-E499 HydrophobicContact CD2-CB 4.4Å; L467-F500 HydrophobicContact CB-CD2 4.37Å; L467-F500 WeakPolarHBondContact O-CD2 3.15Å; L467-F500 VanDerWaalsContact O-CE2 3.27Å; L467-F500 WeakPolarHBondContact O-CE2 3.32Å; L467-V503 HydrophobicContact CD1-CG2 3.69Å
468	I	89.6	Confident	89.4	Confident	6 Å²	6	64.3 Å²	64.3	3%	0.031	33%	0.33	C	S	.	.	S	Bend	trans	-134.5	136.5	173.6	-163.9	172.9	0	0	0	109.5	L459 L462 L463 D472 I476 F500	L459-I468 HydrophobicContact CD2-CD1 3.94Å; L462-I468 HydrophobicContact CB-CB 4.01Å; L462-I468 HydrophobicContact CB-CG2 3.64Å; L463-I468 HydrophobicContact CB-CG2 4.4Å; L463-I468 HydrophobicContact CD2-CG2 3.72Å; L463-I468 HydrophobicContact CG-CG2 3.78Å; I468-D472 HydrophobicContact CD1-CB 3.95Å; I468-D472 HydrophobicContact CG1-CB 3.51Å; I468-I476 HydrophobicContact CD1-CD1 3.64Å; I468-F500 HydrophobicContact CB-CE2 3.92Å; I468-F500 HydrophobicContact CD1-CE2 4.29Å; I468-F500 HydrophobicContact CD1-CZ 4.09Å; I468-F500 HydrophobicContact CG1-CE2 4.11Å; I468-F500 HydrophobicContact CG1-CZ 4.39Å
469	M	85.8	Confident	89.2	Confident	105 Å²	105	66.8 Å²	66.8	52%	0.517	34%	0.341	S	S	.	.			trans	-74.8	159.4	176.3	-62.5	-60.3	169.3	0	0	110.7	E471 D472 Y473	M469-E471 PolarHBondContact O-N 2.89Å; M469-D472 PolarHBondContact O-N 3.39Å; M469-Y473 PolarHBondContact O-N 3.27Å
470	K	80.3	Confident	88.8	Confident	118 Å²	118	72.6 Å²	72.6	51%	0.513	38%	0.378	S	S	.	.	H	α-helix	trans	-63.5	-34.7	-179.5	-178.1	176	171.8	-70.3	0	111.1	Y473 E474	K470-Y473 PolarHBondContact O-N 2.89Å; K470-E474 VanDerWaalsContact CE-OE1 3.27Å; K470-E474 WeakPolarHBondContact CE-OE1 3.49Å; K470-E474 VanDerWaalsContact NZ-CD 3.33Å; K470-E474 IonicContact NZ-OE1 2.67Å; K470-E474 PolarHBondContact NZ-OE1 3.25Å; K470-E474 IonicContact NZ-OE2 2.64Å; K470-E474 PolarHBondContact NZ-OE2 3.06Å; K470-E474 WeakPolarHBondContact O-CB 3.24Å; K470-E474 WeakPolarHBondContact O-CG 3.49Å; K470-E474 PolarHBondContact O-N 3.39Å
471	E	85.7	Confident	88.9	Confident	125 Å²	125	72 Å²	72	58%	0.584	38%	0.378	S	S	*	.	H	α-helix	trans	-67.9	-43.5	179.1	-61.7	63.3	-139.4	0	0	110.7	M469 E474 L475	M469-E471 PolarHBondContact O-N 2.89Å; E471-E474 PolarHBondContact O-N 3.09Å; E471-L475 VanDerWaalsContact O-CB 3.25Å; E471-L475 WeakPolarHBondContact O-CB 3.4Å; E471-L475 PolarHBondContact O-N 3.26Å
472	D	86.3	Confident	89.1	Confident	41 Å²	41	75.3 Å²	75.3	22%	0.219	39%	0.388	C	S	.	.	H	α-helix	trans	-65.8	-41.7	173.2	-80.8	-30.2	0	0	0	111.6	I468 M469 L475 I476	I468-D472 HydrophobicContact CD1-CB 3.95Å; I468-D472 HydrophobicContact CG1-CB 3.51Å; M469-D472 PolarHBondContact O-N 3.39Å; D472-L475 PolarHBondContact O-N 2.93Å; D472-I476 WeakPolarHBondContact O-CG1 3.36Å; D472-I476 PolarHBondContact O-N 3.48Å
473	Y	90.6	Very high	89	Confident	64 Å²	64	78 Å²	78	25%	0.251	40%	0.404	S	S	.	.	H	α-helix	trans	-62.1	-43	175	174.1	-83.8	0	0	0	111.6	L459 L463 M469 K470 I476 S477	L459-Y473 HydrophobicContact CB-CD2 3.83Å; L459-Y473 HydrophobicContact CB-CE2 3.68Å; L459-Y473 HydrophobicContact CD1-CD2 4.5Å; L459-Y473 HydrophobicContact CD1-CE2 4.32Å; L459-Y473 HydrophobicContact CD2-CD2 4.19Å; L459-Y473 HydrophobicContact CG-CD2 4.41Å; L459-Y473 HydrophobicContact CG-CE2 4.46Å; L463-Y473 HydrophobicContact CD1-CD1 4.36Å; L463-Y473 HydrophobicContact CD1-CD2 3.34Å; L463-Y473 HydrophobicContact CD1-CE2 3.48Å; L463-Y473 VanDerWaalsContact CD1-CE2 3.48Å; L463-Y473 HydrophobicContact CD1-CG 3.83Å; L463-Y473 HydrophobicContact CD2-CD2 4.34Å; L463-Y473 HydrophobicContact CD2-CG 4.34Å; L463-Y473 HydrophobicContact CG-CD2 3.77Å; L463-Y473 HydrophobicContact CG-CE2 4.32Å; L463-Y473 HydrophobicContact CG-CG 4.25Å; M469-Y473 PolarHBondContact O-N 3.27Å; K470-Y473 PolarHBondContact O-N 2.89Å; Y473-I476 PolarHBondContact O-N 2.97Å; Y473-S477 VanDerWaalsContact O-CB 3.25Å; Y473-S477 WeakPolarHBondContact O-CB 3.43Å; Y473-S477 PolarHBondContact O-N 3.21Å; Y473-S477 PolarHBondContact O-OG 3.05Å
474	E	88	Confident	89.2	Confident	88 Å²	88	76.8 Å²	76.8	41%	0.411	40%	0.401	S	S	.	.	H	α-helix	trans	-67.2	-40.9	174.9	-76.4	177.1	-173.9	0	0	111	K470 E471 I476 S477 T478	K470-E474 VanDerWaalsContact CE-OE1 3.27Å; K470-E474 WeakPolarHBondContact CE-OE1 3.49Å; K470-E474 VanDerWaalsContact NZ-CD 3.33Å; K470-E474 IonicContact NZ-OE1 2.67Å; K470-E474 PolarHBondContact NZ-OE1 3.25Å; K470-E474 IonicContact NZ-OE2 2.64Å; K470-E474 PolarHBondContact NZ-OE2 3.06Å; K470-E474 WeakPolarHBondContact O-CB 3.24Å; K470-E474 WeakPolarHBondContact O-CG 3.49Å; K470-E474 PolarHBondContact O-N 3.39Å; E471-E474 PolarHBondContact O-N 3.09Å; E474-I476 VanDerWaalsContact C-N 3.31Å; E474-I476 PolarHBondContact O-N 2.98Å; E474-S477 WeakPolarHBondContact CA-OG 3.44Å; E474-S477 PolarHBondContact O-N 3.45Å; E474-S477 PolarHBondContact O-OG 3.48Å; E474-T478 VanDerWaalsContact O-CB 3.3Å; E474-T478 WeakPolarHBondContact O-CB 3.43Å; E474-T478 WeakPolarHBondContact O-CG2 3.42Å; E474-T478 PolarHBondContact O-N 2.98Å; E474-T478 PolarHBondContact O-OG1 2.99Å
475	L	89.4	Confident	89.5	Confident	77 Å²	77	73.9 Å²	73.9	40%	0.403	38%	0.376	S	S	.	.	H	α-helix	trans	-61.5	-34.5	175.3	-178.8	63.2	0	0	0	113.2	E471 D472 K479 Q488	E471-L475 VanDerWaalsContact O-CB 3.25Å; E471-L475 WeakPolarHBondContact O-CB 3.4Å; E471-L475 PolarHBondContact O-N 3.26Å; D472-L475 PolarHBondContact O-N 2.93Å; L475-K479 VanDerWaalsContact O-CD 3.32Å; L475-K479 WeakPolarHBondContact O-CD 3.42Å; L475-K479 WeakPolarHBondContact O-CE 3.5Å; L475-K479 WeakPolarHBondContact O-CG 3.46Å; L475-Q488 HydrophobicContact CG-CG 4.41Å
476	I	91.5	Very high	89.8	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-78.1	-52.4	173.5	-66.8	165	0	0	0	111	L459 I468 D472 Y473 E474 T478 K479 K485 Q488 L489	L459-I476 HydrophobicContact CD1-CG2 3.93Å; L459-I476 HydrophobicContact CD2-CB 4.33Å; L459-I476 HydrophobicContact CD2-CD1 3.8Å; L459-I476 HydrophobicContact CD2-CG2 4.05Å; I468-I476 HydrophobicContact CD1-CD1 3.64Å; D472-I476 WeakPolarHBondContact O-CG1 3.36Å; D472-I476 PolarHBondContact O-N 3.48Å; Y473-I476 PolarHBondContact O-N 2.97Å; E474-I476 VanDerWaalsContact C-N 3.31Å; E474-I476 PolarHBondContact O-N 2.98Å; I476-T478 VanDerWaalsContact C-N 3.3Å; I476-T478 PolarHBondContact O-N 2.95Å; I476-K479 WeakPolarHBondContact O-CG 3.43Å; I476-K479 PolarHBondContact O-N 3.28Å; I476-K479 VanDerWaalsContact O-N 3.17Å; I476-K485 HydrophobicContact CG2-CB 4.18Å; I476-K485 WeakPolarHBondContact CG2-O 3.5Å; I476-K485 WeakPolarHBondContact O-CG 3.4Å; I476-Q488 HydrophobicContact CB-CG 4.43Å; I476-Q488 HydrophobicContact CG1-CB 4.03Å; I476-Q488 HydrophobicContact CG1-CG 3.53Å; I476-L489 HydrophobicContact CD1-CB 4.12Å; I476-L489 HydrophobicContact CD1-CD1 3.88Å; I476-L489 HydrophobicContact CG2-CB 4.49Å
477	S	89.1	Confident	90.2	Very high	38 Å²	38	65.3 Å²	65.3	27%	0.266	33%	0.333	S	S	.	.	H	α-helix	trans	-67.4	-28.7	-170.7	57.2	0	0	0	0	113.4	Y473 E474 K479 K485	Y473-S477 VanDerWaalsContact O-CB 3.25Å; Y473-S477 WeakPolarHBondContact O-CB 3.43Å; Y473-S477 PolarHBondContact O-N 3.21Å; Y473-S477 PolarHBondContact O-OG 3.05Å; E474-S477 WeakPolarHBondContact CA-OG 3.44Å; E474-S477 PolarHBondContact O-N 3.45Å; E474-S477 PolarHBondContact O-OG 3.48Å; S477-K479 VanDerWaalsContact C-N 3.33Å; S477-K479 PolarHBondContact O-N 3.45Å; S477-K485 WeakPolarHBondContact O-CE 3.19Å
478	T	90.3	Very high	90.6	Very high	103 Å²	103	64.7 Å²	64.7	63%	0.632	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-9.2	175.5	56.8	0	0	0	0	114.8	E474 I476	E474-T478 VanDerWaalsContact O-CB 3.3Å; E474-T478 WeakPolarHBondContact O-CB 3.43Å; E474-T478 WeakPolarHBondContact O-CG2 3.42Å; E474-T478 PolarHBondContact O-N 2.98Å; E474-T478 PolarHBondContact O-OG1 2.99Å; I476-T478 VanDerWaalsContact C-N 3.3Å; I476-T478 PolarHBondContact O-N 2.95Å
479	K	91.8	Very high	90.9	Very high	52 Å²	52	64.4 Å²	64.4	23%	0.226	33%	0.327	C	S	.	.	S	Bend	trans	-64.3	138.1	178.7	-55.1	-58.7	-165.6	-165	0	110.9	L475 I476 S477 T481 K485 Q488	L475-K479 VanDerWaalsContact O-CD 3.32Å; L475-K479 WeakPolarHBondContact O-CD 3.42Å; L475-K479 WeakPolarHBondContact O-CE 3.5Å; L475-K479 WeakPolarHBondContact O-CG 3.46Å; I476-K479 WeakPolarHBondContact O-CG 3.43Å; I476-K479 PolarHBondContact O-N 3.28Å; I476-K479 VanDerWaalsContact O-N 3.17Å; S477-K479 VanDerWaalsContact C-N 3.33Å; S477-K479 PolarHBondContact O-N 3.45Å; K479-T481 VanDerWaalsContact C-N 3.29Å; K479-T481 PolarHBondContact O-N 2.76Å; K479-K485 HydrophobicContact CB-CB 4.49Å; K479-K485 HydrophobicContact CB-CG 3.85Å; K479-K485 WeakPolarHBondContact O-CE 3.37Å; K479-Q488 HydrophobicContact CG-CB 4.33Å
480	P	85.7	Confident	91.3	Very high	123 Å²	123	59.4 Å²	59.4	80%	0.799	30%	0.302	S	S	*	.	S	Bend	trans	-73.3	-11	-166.7	29	-37.1	0	0	0	115.3
481	T	94.1	Very high	91.9	Very high	71 Å²	71	57 Å²	57	44%	0.436	30%	0.295	S	S	.	.	S	Bend	trans	-137.7	144.9	-179.1	67	0	0	0	0	111.4	K479 T483 S484 K485	K479-T481 VanDerWaalsContact C-N 3.29Å; K479-T481 PolarHBondContact O-N 2.76Å; T481-T483 PolarHBondContact O-N 2.94Å; T481-T483 VanDerWaalsContact O-N 3.1Å; T481-S484 PolarHBondContact N-OG 3.41Å; T481-S484 PolarHBondContact O-N 3.18Å; T481-S484 PolarHBondContact O-OG 3.49Å; T481-S484 WeakPolarHBondContact OG1-CB 3.26Å; T481-S484 PolarHBondContact OG1-N 3.41Å; T481-S484 PolarHBondContact OG1-OG 3.3Å; T481-K485 WeakPolarHBondContact O-CG 3.45Å; T481-K485 PolarHBondContact O-N 2.95Å
482	R	95	Very high	92.2	Very high	81 Å²	81	51.2 Å²	51.2	31%	0.306	27%	0.268	S	S	.	.	H	α-helix	trans	-45.6	-44.8	173.6	-168.1	-155.3	80.9	-174.6	10.9	112.1	V447 S448 M450 E452 S484 K485 V486	V447-R482 PolarHBondContact O-NH2 2.94Å; S448-R482 VanDerWaalsContact C-NH2 3.35Å; S448-R482 PolarHBondContact O-NH2 3.45Å; M450-R482 VanDerWaalsContact O-CD 3.3Å; M450-R482 WeakPolarHBondContact O-CD 3.39Å; M450-R482 VanDerWaalsContact O-CZ 3.29Å; M450-R482 PolarHBondContact O-NE 2.86Å; M450-R482 VanDerWaalsContact O-NE 3.1Å; E452-R482 HydrophobicContact CB-CG 4.3Å; R482-S484 PolarHBondContact O-N 3.05Å; R482-K485 PolarHBondContact O-N 2.89Å; R482-V486 WeakPolarHBondContact O-CG2 3.25Å; R482-V486 PolarHBondContact O-N 3.11Å
483	T	93.6	Very high	92.4	Very high	56 Å²	56	49.2 Å²	49.2	34%	0.344	26%	0.258	S	S	.	.	H	α-helix	trans	-60.3	-40.7	178.7	-41.4	0	0	0	0	113	V447 T481 R487	V447-T483 HydrophobicContact CG1-CG2 3.48Å; V447-T483 VanDerWaalsContact CG1-CG2 3.48Å; T481-T483 PolarHBondContact O-N 2.94Å; T481-T483 VanDerWaalsContact O-N 3.1Å; T483-R487 PolarHBondContact O-N 2.89Å
484	S	92	Very high	92.3	Very high	36 Å²	36	48.5 Å²	48.5	25%	0.252	26%	0.259	S	S	.	.	H	α-helix	trans	-77.8	-32.9	177.2	52.8	0	0	0	0	112.8	T481 R482 Q488	T481-S484 PolarHBondContact N-OG 3.41Å; T481-S484 PolarHBondContact O-N 3.18Å; T481-S484 PolarHBondContact O-OG 3.49Å; T481-S484 WeakPolarHBondContact OG1-CB 3.26Å; T481-S484 PolarHBondContact OG1-N 3.41Å; T481-S484 PolarHBondContact OG1-OG 3.3Å; R482-S484 PolarHBondContact O-N 3.05Å; S484-Q488 WeakPolarHBondContact O-CB 3.41Å; S484-Q488 PolarHBondContact O-N 3.33Å
485	K	95.7	Very high	92.2	Very high	36 Å²	36	51 Å²	51	16%	0.157	27%	0.273	C	S	.	.	H	α-helix	trans	-60.5	-50.1	168.8	-57.4	-178.8	179.7	179	0	111.2	E452 L455 I476 S477 K479 T481 R482 Q488 L489	E452-K485 IonicContact OE1-NZ 3.75Å; E452-K485 PolarHBondContact OE1-NZ 2.88Å; L455-K485 HydrophobicContact CD2-CB 3.52Å; L455-K485 HydrophobicContact CD2-CD 3.72Å; L455-K485 HydrophobicContact CD2-CG 4.26Å; I476-K485 HydrophobicContact CG2-CB 4.18Å; I476-K485 WeakPolarHBondContact CG2-O 3.5Å; I476-K485 WeakPolarHBondContact O-CG 3.4Å; S477-K485 WeakPolarHBondContact O-CE 3.19Å; K479-K485 HydrophobicContact CB-CB 4.49Å; K479-K485 HydrophobicContact CB-CG 3.85Å; K479-K485 WeakPolarHBondContact O-CE 3.37Å; T481-K485 WeakPolarHBondContact O-CG 3.45Å; T481-K485 PolarHBondContact O-N 2.95Å; R482-K485 PolarHBondContact O-N 2.89Å; K485-Q488 PolarHBondContact O-N 2.77Å; K485-L489 PolarHBondContact O-N 3.38Å
486	V	95.9	Very high	92.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.2	-42.9	-179.9	177.7	0	0	0	0	111.3	I446 V447 M450 L455 R482 Q488 L489 L490	I446-V486 HydrophobicContact CG2-CG1 4.25Å; V447-V486 HydrophobicContact CB-CG1 4.46Å; V447-V486 HydrophobicContact CG2-CG1 3.94Å; M450-V486 HydrophobicContact CB-CG1 4.34Å; M450-V486 HydrophobicContact CB-CG2 4.21Å; M450-V486 HydrophobicContact CG-CG1 4.48Å; M450-V486 HydrophobicContact CG-CG2 4.05Å; M450-V486 HydrophobicContact SD-CG1 3.72Å; M450-V486 HydrophobicContact SD-CG2 4.01Å; L455-V486 HydrophobicContact CD1-CG2 4.31Å; L455-V486 HydrophobicContact CD2-CG2 4.19Å; R482-V486 WeakPolarHBondContact O-CG2 3.25Å; R482-V486 PolarHBondContact O-N 3.11Å; V486-Q488 PolarHBondContact O-N 2.87Å; V486-L489 WeakPolarHBondContact O-CB 3.34Å; V486-L489 PolarHBondContact O-N 2.98Å; V486-L490 HydrophobicContact CG1-CD1 4.47Å; V486-L490 HydrophobicContact CG1-CG 4.42Å; V486-L490 WeakPolarHBondContact O-CG 3.49Å; V486-L490 PolarHBondContact O-N 3.29Å
487	R	96.3	Very high	91.9	Very high	100 Å²	100	51.9 Å²	51.9	38%	0.377	28%	0.279	S	S	.	.	H	α-helix	trans	-60.1	-47	175.2	-76.7	-167.8	-176.1	120	2.2	112	E444 V447 T483 L489 L490 D491	E444-R487 IonicContact OE1-CZ 3.65Å; E444-R487 IonicContact OE1-NE 2.79Å; E444-R487 PolarHBondContact OE1-NE 2.83Å; E444-R487 IonicContact OE1-NH2 2.66Å; E444-R487 IonicContact OE2-CZ 3.45Å; E444-R487 IonicContact OE2-NE 2.67Å; E444-R487 IonicContact OE2-NH2 2.67Å; E444-R487 PolarHBondContact OE2-NH2 3.22Å; V447-R487 HydrophobicContact CG1-CG 4.09Å; V447-R487 HydrophobicContact CG2-CG 3.54Å; T483-R487 PolarHBondContact O-N 2.89Å; R487-L489 VanDerWaalsContact C-N 3.29Å; R487-L489 PolarHBondContact O-N 3.46Å; R487-L490 CarbonylContact O-C 3.4Å; R487-L490 PolarHBondContact O-N 2.9Å; R487-D491 PolarHBondContact O-N 2.92Å; R487-D491 VanDerWaalsContact O-OD2 3.06Å
488	Q	95.8	Very high	92	Very high	38 Å²	38	52 Å²	52	18%	0.178	28%	0.275	C	S	.	.	H	α-helix	trans	-58.6	-38.8	175.8	-173.4	69.4	79.6	0	0	112.4	L475 I476 K479 S484 K485 V486 L490 D491 T492	L475-Q488 HydrophobicContact CG-CG 4.41Å; I476-Q488 HydrophobicContact CB-CG 4.43Å; I476-Q488 HydrophobicContact CG1-CB 4.03Å; I476-Q488 HydrophobicContact CG1-CG 3.53Å; K479-Q488 HydrophobicContact CG-CB 4.33Å; S484-Q488 WeakPolarHBondContact O-CB 3.41Å; S484-Q488 PolarHBondContact O-N 3.33Å; K485-Q488 PolarHBondContact O-N 2.77Å; V486-Q488 PolarHBondContact O-N 2.87Å; Q488-L490 VanDerWaalsContact C-N 3.35Å; Q488-D491 PolarHBondContact O-N 3.39Å; Q488-T492 PolarHBondContact O-N 2.93Å; Q488-T492 PolarHBondContact O-OG1 3.18Å; Q488-T492 VanDerWaalsContact O-OG1 3.07Å
489	L	95.3	Very high	91.9	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.8	-40.7	173.8	178.3	68.8	0	0	0	112.1	M450 L455 L459 L462 I476 K485 V486 R487 T492 T493 F500 I504	M450-L489 HydrophobicContact CE-CD2 3.61Å; L455-L489 HydrophobicContact CD1-CD2 3.81Å; L459-L489 HydrophobicContact CD2-CD1 3.93Å; L462-L489 HydrophobicContact CD1-CD1 3.87Å; I476-L489 HydrophobicContact CD1-CB 4.12Å; I476-L489 HydrophobicContact CD1-CD1 3.88Å; I476-L489 HydrophobicContact CG2-CB 4.49Å; K485-L489 PolarHBondContact O-N 3.38Å; V486-L489 WeakPolarHBondContact O-CB 3.34Å; V486-L489 PolarHBondContact O-N 2.98Å; R487-L489 VanDerWaalsContact C-N 3.29Å; R487-L489 PolarHBondContact O-N 3.46Å; L489-T492 PolarHBondContact O-N 2.98Å; L489-T493 PolarHBondContact O-N 2.96Å; L489-T493 PolarHBondContact O-OG1 2.91Å; L489-F500 HydrophobicContact CD1-CE1 3.78Å; L489-F500 HydrophobicContact CD1-CZ 3.92Å; L489-I504 HydrophobicContact CD1-CD1 3.95Å; L489-I504 HydrophobicContact CD2-CD1 3.97Å; L489-I504 HydrophobicContact CD2-CG1 4.32Å; L489-I504 HydrophobicContact CG-CD1 3.79Å
490	L	95	Very high	92	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-72.5	-34.3	177.2	-59.8	-170.7	0	0	0	112.1	I439 R443 I446 V447 V486 R487 Q488 T493 D494	I439-L490 HydrophobicContact CG2-CD2 3.81Å; R443-L490 HydrophobicContact CB-CD1 4.44Å; R443-L490 HydrophobicContact CG-CB 4.49Å; R443-L490 HydrophobicContact CG-CD1 3.62Å; I446-L490 HydrophobicContact CB-CD1 4.19Å; I446-L490 HydrophobicContact CG2-CD1 4.02Å; I446-L490 HydrophobicContact CG2-CD2 4.32Å; V447-L490 HydrophobicContact CG2-CD1 4.03Å; V486-L490 HydrophobicContact CG1-CD1 4.47Å; V486-L490 HydrophobicContact CG1-CG 4.42Å; V486-L490 WeakPolarHBondContact O-CG 3.49Å; V486-L490 PolarHBondContact O-N 3.29Å; R487-L490 CarbonylContact O-C 3.4Å; R487-L490 PolarHBondContact O-N 2.9Å; Q488-L490 VanDerWaalsContact C-N 3.35Å; L490-T493 VanDerWaalsContact O-CB 3.29Å; L490-T493 WeakPolarHBondContact O-CB 3.46Å; L490-T493 PolarHBondContact O-N 3.47Å; L490-T493 VanDerWaalsContact O-N 3.13Å; L490-D494 PolarHBondContact O-N 3.14Å
491	D	93.3	Very high	92.3	Very high	67 Å²	67	43.7 Å²	43.7	36%	0.358	22%	0.219	S	C	.	.	H	α-helix	trans	-62.3	-44.6	171.3	-55.8	-37.5	0	0	0	110.6	R443 R487 Q488 T493 D494 I495	R443-D491 IonicContact CZ-OD1 3.53Å; R443-D491 IonicContact NH2-OD1 2.59Å; R443-D491 PolarHBondContact NH2-OD1 3Å; R487-D491 PolarHBondContact O-N 2.92Å; R487-D491 VanDerWaalsContact O-OD2 3.06Å; Q488-D491 PolarHBondContact O-N 3.39Å; D491-T493 VanDerWaalsContact C-N 3.29Å; D491-T493 PolarHBondContact O-N 3.12Å; D491-D494 PolarHBondContact O-N 3.35Å; D491-I495 PolarHBondContact O-N 3.32Å
492	T	90.8	Very high	92.3	Very high	4 Å²	4	43 Å²	43	3%	0.025	21%	0.21	C	C	.	.	H	α-helix	trans	-64.9	-31.1	172	-56.9	0	0	0	0	111.9	Q488 L489 I495 Q496 F500	Q488-T492 PolarHBondContact O-N 2.93Å; Q488-T492 PolarHBondContact O-OG1 3.18Å; Q488-T492 VanDerWaalsContact O-OG1 3.07Å; L489-T492 PolarHBondContact O-N 2.98Å; T492-I495 PolarHBondContact O-N 3.29Å; T492-Q496 HydrophobicContact CG2-CG 3.76Å; T492-Q496 WeakPolarHBondContact O-CB 3.35Å; T492-Q496 VanDerWaalsContact O-CG 3.27Å; T492-Q496 WeakPolarHBondContact O-CG 3.26Å; T492-Q496 PolarHBondContact O-N 3Å; T492-F500 HydrophobicContact CG2-CE1 4.29Å; T492-F500 HydrophobicContact CG2-CE2 3.96Å; T492-F500 HydrophobicContact CG2-CZ 3.56Å
493	T	91.8	Very high	92.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.6	-38.9	175.2	-54.6	0	0	0	0	112.1	I439 L489 L490 D491 I495 G497 F500 A501 I504	I439-T493 HydrophobicContact CD1-CG2 3.95Å; I439-T493 HydrophobicContact CG2-CG2 4.34Å; L489-T493 PolarHBondContact O-N 2.96Å; L489-T493 PolarHBondContact O-OG1 2.91Å; L490-T493 VanDerWaalsContact O-CB 3.29Å; L490-T493 WeakPolarHBondContact O-CB 3.46Å; L490-T493 PolarHBondContact O-N 3.47Å; L490-T493 VanDerWaalsContact O-N 3.13Å; D491-T493 VanDerWaalsContact C-N 3.29Å; D491-T493 PolarHBondContact O-N 3.12Å; T493-I495 PolarHBondContact O-N 2.91Å; T493-G497 PolarHBondContact O-N 3.47Å; T493-F500 HydrophobicContact CG2-CD1 4.02Å; T493-F500 WeakPolarHBondContact OG1-CD1 3.42Å; T493-F500 WeakPolarHBondContact OG1-CE1 3.44Å; T493-A501 HydrophobicContact CG2-CB 3.69Å; T493-I504 HydrophobicContact CG2-CD1 4.32Å; T493-I504 WeakPolarHBondContact OG1-CD1 3.37Å
494	D	87.9	Confident	92.1	Very high	49 Å²	49	36.7 Å²	36.7	26%	0.262	18%	0.18	S	C	.	.	H	α-helix	trans	-64.4	-28.9	176.5	-68.9	-48.6	0	0	0	112.3	Q436 Q440 R443 L490 D491	Q436-D494 PolarHBondContact NE2-O 3.48Å; Q436-D494 VanDerWaalsContact NE2-O 3.15Å; Q440-D494 VanDerWaalsContact CG-OD1 3.31Å; Q440-D494 WeakPolarHBondContact CG-OD1 3.32Å; Q440-D494 PolarHBondContact NE2-OD1 3.17Å; R443-D494 IonicContact CZ-OD2 3.61Å; R443-D494 IonicContact NH1-OD1 3.79Å; R443-D494 IonicContact NH1-OD2 3.68Å; R443-D494 PolarHBondContact NH1-OD2 3.3Å; R443-D494 IonicContact NH2-OD2 3.19Å; R443-D494 PolarHBondContact NH2-OD2 2.82Å; L490-D494 PolarHBondContact O-N 3.14Å; D491-D494 PolarHBondContact O-N 3.35Å
495	I	86.8	Confident	92.1	Very high	139 Å²	139	35.1 Å²	35.1	71%	0.713	17%	0.169	S	C	*	.	H	α-helix	trans	-82.8	-47.1	177.7	-61.4	166.7	0	0	0	111.8	D491 T492 T493	D491-I495 PolarHBondContact O-N 3.32Å; T492-I495 PolarHBondContact O-N 3.29Å; T493-I495 PolarHBondContact O-N 2.91Å
496	Q	86.4	Confident	91.9	Very high	85 Å²	85	37.2 Å²	37.2	40%	0.397	18%	0.179	S	C	.	.	H	α-helix	trans	-82.8	-17.4	-172.9	-62.3	-72.1	2.4	0	0	113.6	T492 F500	T492-Q496 HydrophobicContact CG2-CG 3.76Å; T492-Q496 WeakPolarHBondContact O-CB 3.35Å; T492-Q496 VanDerWaalsContact O-CG 3.27Å; T492-Q496 WeakPolarHBondContact O-CG 3.26Å; T492-Q496 PolarHBondContact O-N 3Å; Q496-F500 HydrophobicContact CB-CB 3.66Å; Q496-F500 HydrophobicContact CB-CD1 4.37Å; Q496-F500 HydrophobicContact CB-CD2 3.37Å; Q496-F500 HydrophobicContact CB-CE2 4Å; Q496-F500 HydrophobicContact CB-CG 3.58Å; Q496-F500 HydrophobicContact CG-CD2 3.65Å; Q496-F500 HydrophobicContact CG-CE2 3.75Å; Q496-F500 HydrophobicContact CG-CG 4.28Å; Q496-F500 HydrophobicContact CG-CZ 4.45Å
497	G	87.9	Confident	91.8	Very high	12 Å²	12	39.4 Å²	39.4	12%	0.124	19%	0.189	C	C	.	.			trans	80.2	-157.8	167.2	0	0	0	0	0	116.4	T493 E499 F500 A501	T493-G497 PolarHBondContact O-N 3.47Å; G497-E499 PolarHBondContact O-N 2.89Å; G497-F500 WeakPolarHBondContact O-CB 3.22Å; G497-F500 PolarHBondContact O-N 3.09Å; G497-A501 PolarHBondContact O-N 3.44Å
498	E	90.6	Very high	91.5	Very high	39 Å²	39	34.6 Å²	34.6	18%	0.182	17%	0.171	C	C	.	.	H	α-helix	trans	-61.2	-39.5	-160.8	179.3	64.6	176.1	0	0	115.1	G433 I434 A435 Q436 A501 K502	G433-E498 VanDerWaalsContact CA-CD 3.44Å; G433-E498 WeakPolarHBondContact CA-OE2 3.38Å; I434-E498 PolarHBondContact N-OE1 3.3Å; I434-E498 VanDerWaalsContact N-OE1 3.12Å; I434-E498 PolarHBondContact N-OE2 3.24Å; A435-E498 WeakPolarHBondContact CA-OE2 3.42Å; A435-E498 WeakPolarHBondContact CB-OE1 3.22Å; A435-E498 WeakPolarHBondContact CB-OE2 3.29Å; A435-E498 PolarHBondContact N-OE1 3.2Å; A435-E498 PolarHBondContact N-OE2 3.2Å; Q436-E498 PolarHBondContact N-OE2 3.41Å; E498-A501 PolarHBondContact O-N 3.04Å; E498-K502 HydrophobicContact CG-CD 4.23Å; E498-K502 WeakPolarHBondContact O-CB 3.34Å; E498-K502 VanDerWaalsContact O-CG 3.29Å; E498-K502 WeakPolarHBondContact O-CG 3.35Å; E498-K502 PolarHBondContact O-N 3.31Å; E498-K502 WeakPolarHBondContact OE1-CE 3.46Å
499	E	88.8	Confident	91.2	Very high	103 Å²	103	37.9 Å²	37.9	48%	0.481	19%	0.185	S	C	.	.	H	α-helix	trans	-71.8	-33.7	179.8	-64.8	-52.3	131.7	0	0	112.6	L467 G497 K502 V503	L467-E499 HydrophobicContact CD2-CB 4.4Å; G497-E499 PolarHBondContact O-N 2.89Å; E499-K502 PolarHBondContact O-N 3.19Å; E499-K502 WeakPolarHBondContact OE1-CD 3.25Å; E499-K502 IonicContact OE1-NZ 3.79Å; E499-K502 PolarHBondContact OE1-NZ 2.98Å; E499-K502 WeakPolarHBondContact OE2-CD 3.4Å; E499-K502 IonicContact OE2-NZ 3.75Å; E499-V503 PolarHBondContact O-N 3.33Å
500	F	93.3	Very high	90.8	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	20%	0.203	C	C	.	.	H	α-helix	trans	-64.4	-47	171.5	-163.5	-81.4	0	0	0	110.2	L462 L467 I468 L489 T492 T493 Q496 G497 K502 V503 I504	L462-F500 HydrophobicContact CD1-CD1 4.29Å; L462-F500 HydrophobicContact CD1-CD2 4.41Å; L462-F500 HydrophobicContact CD1-CE1 3.8Å; L462-F500 HydrophobicContact CD1-CE2 3.91Å; L462-F500 HydrophobicContact CD1-CZ 3.59Å; L462-F500 HydrophobicContact CD2-CB 4.45Å; L462-F500 HydrophobicContact CD2-CD1 4.2Å; L462-F500 HydrophobicContact CD2-CD2 3.64Å; L462-F500 HydrophobicContact CD2-CE1 4.46Å; L462-F500 HydrophobicContact CD2-CE2 3.92Å; L462-F500 HydrophobicContact CD2-CG 3.8Å; L462-F500 HydrophobicContact CD2-CZ 4.33Å; L462-F500 HydrophobicContact CG-CE2 4.41Å; L467-F500 HydrophobicContact CB-CD2 4.37Å; L467-F500 WeakPolarHBondContact O-CD2 3.15Å; L467-F500 VanDerWaalsContact O-CE2 3.27Å; L467-F500 WeakPolarHBondContact O-CE2 3.32Å; I468-F500 HydrophobicContact CB-CE2 3.92Å; I468-F500 HydrophobicContact CD1-CE2 4.29Å; I468-F500 HydrophobicContact CD1-CZ 4.09Å; I468-F500 HydrophobicContact CG1-CE2 4.11Å; I468-F500 HydrophobicContact CG1-CZ 4.39Å; L489-F500 HydrophobicContact CD1-CE1 3.78Å; L489-F500 HydrophobicContact CD1-CZ 3.92Å; T492-F500 HydrophobicContact CG2-CE1 4.29Å; T492-F500 HydrophobicContact CG2-CE2 3.96Å; T492-F500 HydrophobicContact CG2-CZ 3.56Å; T493-F500 HydrophobicContact CG2-CD1 4.02Å; T493-F500 WeakPolarHBondContact OG1-CD1 3.42Å; T493-F500 WeakPolarHBondContact OG1-CE1 3.44Å; Q496-F500 HydrophobicContact CB-CB 3.66Å; Q496-F500 HydrophobicContact CB-CD1 4.37Å; Q496-F500 HydrophobicContact CB-CD2 3.37Å; Q496-F500 HydrophobicContact CB-CE2 4Å; Q496-F500 HydrophobicContact CB-CG 3.58Å; Q496-F500 HydrophobicContact CG-CD2 3.65Å; Q496-F500 HydrophobicContact CG-CE2 3.75Å; Q496-F500 HydrophobicContact CG-CG 4.28Å; Q496-F500 HydrophobicContact CG-CZ 4.45Å; G497-F500 WeakPolarHBondContact O-CB 3.22Å; G497-F500 PolarHBondContact O-N 3.09Å; F500-K502 PolarHBondContact O-N 3.18Å; F500-V503 PolarHBondContact O-N 3.37Å; F500-I504 HydrophobicContact CD1-CD1 3.65Å; F500-I504 HydrophobicContact CE1-CD1 3.6Å; F500-I504 PolarHBondContact O-N 2.64Å
501	A	92.7	Very high	90.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.9	-42.7	175.6	0	0	0	0	0	112.3	A435 Q436 I439 T493 G497 E498 V503 I504 V505	A435-A501 HydrophobicContact CB-CB 3.57Å; Q436-A501 HydrophobicContact CB-CB 4.23Å; I439-A501 HydrophobicContact CD1-CB 3.86Å; T493-A501 HydrophobicContact CG2-CB 3.69Å; G497-A501 PolarHBondContact O-N 3.44Å; E498-A501 PolarHBondContact O-N 3.04Å; A501-V503 VanDerWaalsContact C-N 3.34Å; A501-V503 PolarHBondContact O-N 3.09Å; A501-I504 PolarHBondContact O-N 2.89Å; A501-V505 WeakPolarHBondContact O-CG2 3.45Å; A501-V505 PolarHBondContact O-N 3.39Å
502	K	92.8	Very high	90.1	Very high	55 Å²	55	47.4 Å²	47.4	24%	0.239	23%	0.228	C	C	.	.	H	α-helix	trans	-57.9	-41.4	175.8	-80.1	167.9	-179.3	168	0	112.9	A435 E498 E499 F500 Q506 M522	A435-K502 HydrophobicContact CB-CB 4.49Å; A435-K502 HydrophobicContact CB-CG 3.81Å; E498-K502 HydrophobicContact CG-CD 4.23Å; E498-K502 WeakPolarHBondContact O-CB 3.34Å; E498-K502 VanDerWaalsContact O-CG 3.29Å; E498-K502 WeakPolarHBondContact O-CG 3.35Å; E498-K502 PolarHBondContact O-N 3.31Å; E498-K502 WeakPolarHBondContact OE1-CE 3.46Å; E499-K502 PolarHBondContact O-N 3.19Å; E499-K502 WeakPolarHBondContact OE1-CD 3.25Å; E499-K502 IonicContact OE1-NZ 3.79Å; E499-K502 PolarHBondContact OE1-NZ 2.98Å; E499-K502 WeakPolarHBondContact OE2-CD 3.4Å; E499-K502 IonicContact OE2-NZ 3.75Å; F500-K502 PolarHBondContact O-N 3.18Å; K502-Q506 WeakPolarHBondContact O-CB 3.47Å; K502-Q506 PolarHBondContact O-N 2.95Å; K502-M522 HydrophobicContact CG-CE 3.96Å; K502-M522 HydrophobicContact CG-SD 3.96Å
503	V	92	Very high	89.7	Confident	5 Å²	5	48.3 Å²	48.3	3%	0.03	23%	0.232	C	C	.	.	H	α-helix	trans	-64.2	-43.3	176.9	174.2	0	0	0	0	111.1	A461 L462 L467 E499 F500 A501 Q506 K507	A461-V503 HydrophobicContact CB-CG1 3.77Å; L462-V503 HydrophobicContact CD2-CB 3.85Å; L462-V503 HydrophobicContact CD2-CG1 3.89Å; L462-V503 HydrophobicContact CD2-CG2 4.33Å; L462-V503 HydrophobicContact CG-CB 4.45Å; L462-V503 HydrophobicContact CG-CG1 3.96Å; L467-V503 HydrophobicContact CD1-CG2 3.69Å; E499-V503 PolarHBondContact O-N 3.33Å; F500-V503 PolarHBondContact O-N 3.37Å; A501-V503 VanDerWaalsContact C-N 3.34Å; A501-V503 PolarHBondContact O-N 3.09Å; V503-Q506 PolarHBondContact O-N 2.92Å; V503-K507 WeakPolarHBondContact O-CB 3.21Å; V503-K507 WeakPolarHBondContact O-CG 3.21Å; V503-K507 PolarHBondContact O-N 3.43Å
504	I	92.8	Very high	88.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.9	-47.1	177.8	-68	168	0	0	0	111.2	I439 L462 L489 T493 F500 A501 Q506 K507 L508	I439-I504 HydrophobicContact CD1-CB 3.98Å; I439-I504 HydrophobicContact CD1-CG2 3.81Å; L462-I504 HydrophobicContact CD1-CD1 4.45Å; L462-I504 HydrophobicContact CD1-CG1 4.33Å; L489-I504 HydrophobicContact CD1-CD1 3.95Å; L489-I504 HydrophobicContact CD2-CD1 3.97Å; L489-I504 HydrophobicContact CD2-CG1 4.32Å; L489-I504 HydrophobicContact CG-CD1 3.79Å; T493-I504 HydrophobicContact CG2-CD1 4.32Å; T493-I504 WeakPolarHBondContact OG1-CD1 3.37Å; F500-I504 HydrophobicContact CD1-CD1 3.65Å; F500-I504 HydrophobicContact CE1-CD1 3.6Å; F500-I504 PolarHBondContact O-N 2.64Å; A501-I504 PolarHBondContact O-N 2.89Å; I504-Q506 VanDerWaalsContact C-N 3.32Å; I504-Q506 PolarHBondContact O-N 3.3Å; I504-K507 PolarHBondContact O-N 3.3Å; I504-K507 VanDerWaalsContact O-N 3.09Å; I504-L508 HydrophobicContact CG2-CD1 3.88Å; I504-L508 HydrophobicContact CG2-CG 4.31Å; I504-L508 VanDerWaalsContact O-CG 3.31Å; I504-L508 WeakPolarHBondContact O-CG 3.46Å; I504-L508 PolarHBondContact O-N 3.22Å
505	V	92.6	Very high	88.2	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.024	27%	0.27	C	S	.	.	H	α-helix	trans	-57.8	-45.2	176.1	173.6	0	0	0	0	111.1	A435 W438 I439 A501 K507 L508 K509 Y519 P520 M522	A435-V505 HydrophobicContact CB-CG2 4.22Å; W438-V505 HydrophobicContact CE3-CG2 3.7Å; W438-V505 HydrophobicContact CZ3-CG2 3.89Å; I439-V505 HydrophobicContact CD1-CG2 3.97Å; I439-V505 HydrophobicContact CG1-CG2 3.89Å; A501-V505 WeakPolarHBondContact O-CG2 3.45Å; A501-V505 PolarHBondContact O-N 3.39Å; V505-K507 VanDerWaalsContact C-N 3.32Å; V505-K507 PolarHBondContact O-N 2.93Å; V505-L508 PolarHBondContact O-N 3.18Å; V505-K509 WeakPolarHBondContact O-CB 3.32Å; V505-K509 PolarHBondContact O-N 3.41Å; V505-K509 VanDerWaalsContact O-N 3.08Å; V505-Y519 HydrophobicContact CG1-CD1 4.06Å; V505-P520 HydrophobicContact CG1-CG 3.92Å; V505-M522 HydrophobicContact CB-CE 4.03Å; V505-M522 HydrophobicContact CG1-CE 3.85Å; V505-M522 HydrophobicContact CG2-CE 4.21Å
506	Q	91.7	Very high	88	Confident	79 Å²	79	47 Å²	47	37%	0.369	24%	0.236	S	C	.	.	H	α-helix	trans	-62.4	-39.3	176	-174.8	60.1	49.2	0	0	111.6	K502 V503 I504 K509 D510	K502-Q506 WeakPolarHBondContact O-CB 3.47Å; K502-Q506 PolarHBondContact O-N 2.95Å; V503-Q506 PolarHBondContact O-N 2.92Å; I504-Q506 VanDerWaalsContact C-N 3.32Å; I504-Q506 PolarHBondContact O-N 3.3Å; Q506-K509 WeakPolarHBondContact O-CB 3.35Å; Q506-K509 PolarHBondContact O-N 2.92Å; Q506-D510 PolarHBondContact NE2-OD1 3.24Å; Q506-D510 WeakPolarHBondContact O-CB 3.45Å; Q506-D510 PolarHBondContact O-N 3.12Å
507	K	92.8	Very high	87.6	Confident	46 Å²	46	48.1 Å²	48.1	20%	0.2	24%	0.241	C	C	.	.	H	α-helix	trans	-73.2	-34	-179.3	-75.9	-76.1	160.9	-138.6	0	113.9	C454 Q457 S458 A461 V503 I504 V505 K509 D510 N511	C454-K507 PolarHBondContact SG-O 3.35Å; Q457-K507 HydrophobicContact CB-CD 4.09Å; S458-K507 VanDerWaalsContact OG-CB 3.24Å; S458-K507 WeakPolarHBondContact OG-CB 3.43Å; A461-K507 HydrophobicContact CB-CD 4.36Å; A461-K507 HydrophobicContact CB-CG 4.28Å; V503-K507 WeakPolarHBondContact O-CB 3.21Å; V503-K507 WeakPolarHBondContact O-CG 3.21Å; V503-K507 PolarHBondContact O-N 3.43Å; I504-K507 PolarHBondContact O-N 3.3Å; I504-K507 VanDerWaalsContact O-N 3.09Å; V505-K507 VanDerWaalsContact C-N 3.32Å; V505-K507 PolarHBondContact O-N 2.93Å; K507-K509 VanDerWaalsContact C-N 3.33Å; K507-D510 IonicContact NZ-OD2 2.77Å; K507-D510 PolarHBondContact NZ-OD2 2.94Å; K507-D510 PolarHBondContact O-N 3.2Å; K507-N511 WeakPolarHBondContact O-CB 3.22Å; K507-N511 PolarHBondContact O-N 3.41Å; K507-N511 PolarHBondContact O-ND2 3.17Å
508	L	91.4	Very high	87.3	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-41.9	169.2	-68	166.6	0	0	0	111.1	W438 I446 M450 I504 V505 N511 K512 Q513 L516 Y519	W438-L508 HydrophobicContact CH2-CD1 4.4Å; W438-L508 HydrophobicContact CZ3-CD1 4.11Å; I446-L508 HydrophobicContact CD1-CD1 4.27Å; I446-L508 HydrophobicContact CG1-CD1 4.11Å; I446-L508 HydrophobicContact CG2-CD1 4.18Å; I446-L508 HydrophobicContact CG2-CD2 4.33Å; M450-L508 HydrophobicContact CB-CD2 4.16Å; M450-L508 HydrophobicContact CG-CD2 3.95Å; M450-L508 HydrophobicContact SD-CD2 3.92Å; I504-L508 HydrophobicContact CG2-CD1 3.88Å; I504-L508 HydrophobicContact CG2-CG 4.31Å; I504-L508 VanDerWaalsContact O-CG 3.31Å; I504-L508 WeakPolarHBondContact O-CG 3.46Å; I504-L508 PolarHBondContact O-N 3.22Å; V505-L508 PolarHBondContact O-N 3.18Å; L508-N511 CarbonylContact O-C 3.54Å; L508-K512 PolarHBondContact O-N 2.77Å; L508-Q513 HydrophobicContact CB-CG 4.43Å; L508-Q513 HydrophobicContact CD2-CG 4Å; L508-Q513 WeakPolarHBondContact O-CG 3.3Å; L508-Q513 PolarHBondContact O-N 3.3Å; L508-Q513 VanDerWaalsContact O-N 3.09Å; L508-L516 HydrophobicContact CB-CD1 4.21Å; L508-L516 HydrophobicContact CD1-CD1 3.97Å; L508-L516 HydrophobicContact CD2-CD1 3.85Å; L508-L516 HydrophobicContact CG-CD1 4.23Å; L508-Y519 HydrophobicContact CB-CE1 3.84Å; L508-Y519 PolarHBondContact O-OH 3.38Å
509	K	88.7	Confident	87.1	Confident	107 Å²	107	52.4 Å²	52.4	47%	0.465	27%	0.266	S	S	.	.	H	α-helix	trans	-66	-46.9	175.2	-173	176.4	-179.8	176.8	0	112.3	V505 Q506 K507 N511 K512 Y519	V505-K509 WeakPolarHBondContact O-CB 3.32Å; V505-K509 PolarHBondContact O-N 3.41Å; V505-K509 VanDerWaalsContact O-N 3.08Å; Q506-K509 WeakPolarHBondContact O-CB 3.35Å; Q506-K509 PolarHBondContact O-N 2.92Å; K507-K509 VanDerWaalsContact C-N 3.33Å; K509-N511 VanDerWaalsContact C-N 3.33Å; K509-N511 PolarHBondContact O-N 3.37Å; K509-K512 PolarHBondContact O-N 2.92Å; K509-K512 VanDerWaalsContact O-N 3.12Å; K509-Y519 HydrophobicContact CB-CD1 4.24Å; K509-Y519 HydrophobicContact CB-CD2 4.24Å; K509-Y519 HydrophobicContact CB-CE1 4.16Å; K509-Y519 HydrophobicContact CB-CE2 4.21Å; K509-Y519 HydrophobicContact CB-CG 4.27Å; K509-Y519 HydrophobicContact CD-CD2 4.48Å; K509-Y519 HydrophobicContact CD-CG 4.41Å; K509-Y519 HydrophobicContact CG-CD2 4.11Å; K509-Y519 HydrophobicContact CG-CE2 4.34Å; K509-Y519 HydrophobicContact CG-CG 4.38Å
510	D	87.7	Confident	86.9	Confident	73 Å²	73	48.4 Å²	48.4	39%	0.39	25%	0.249	S	C	.	.	H	α-helix	trans	-56.8	-45.7	175.4	-69.9	-12.1	0	0	0	111.3	Q506 K507 K512	Q506-D510 PolarHBondContact NE2-OD1 3.24Å; Q506-D510 WeakPolarHBondContact O-CB 3.45Å; Q506-D510 PolarHBondContact O-N 3.12Å; K507-D510 IonicContact NZ-OD2 2.77Å; K507-D510 PolarHBondContact NZ-OD2 2.94Å; K507-D510 PolarHBondContact O-N 3.2Å; D510-K512 PolarHBondContact O-N 2.73Å
511	N	88.4	Confident	86	Confident	35 Å²	35	57 Å²	57	19%	0.187	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	17.6	179.9	-73.6	-88.5	0	0	0	113.4	C454 Q457 K507 L508 K509 Q513	C454-N511 HydrophobicContact CB-CB 3.86Å; Q457-N511 PolarHBondContact NE2-OD1 2.81Å; Q457-N511 PolarHBondContact OE1-ND2 3.3Å; Q457-N511 PolarHBondContact OE1-OD1 2.87Å; K507-N511 WeakPolarHBondContact O-CB 3.22Å; K507-N511 PolarHBondContact O-N 3.41Å; K507-N511 PolarHBondContact O-ND2 3.17Å; L508-N511 CarbonylContact O-C 3.54Å; K509-N511 VanDerWaalsContact C-N 3.33Å; K509-N511 PolarHBondContact O-N 3.37Å; N511-Q513 VanDerWaalsContact C-N 3.29Å; N511-Q513 HydrophobicContact CB-CG 4.49Å; N511-Q513 PolarHBondContact O-N 3.19Å; N511-Q513 VanDerWaalsContact O-N 3.16Å; N511-Q513 PolarHBondContact O-NE2 3.23Å
512	K	84.3	Confident	85	Confident	159 Å²	159	59 Å²	59	69%	0.691	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	47.1	173.6	-57.7	-177.9	-177.6	178.5	0	113.2	L508 K509 D510 M514	L508-K512 PolarHBondContact O-N 2.77Å; K509-K512 PolarHBondContact O-N 2.92Å; K509-K512 VanDerWaalsContact O-N 3.12Å; D510-K512 PolarHBondContact O-N 2.73Å; K512-M514 HydrophobicContact CB-CG 4.5Å; K512-M514 HydrophobicContact CB-SD 4.24Å; K512-M514 WeakPolarHBondContact O-CG 3.06Å; K512-M514 PolarHBondContact O-N 2.97Å
513	Q	83.3	Confident	83.1	Confident	23 Å²	23	61.7 Å²	61.7	11%	0.107	32%	0.323	C	S	.	.			trans	-75.2	73.4	174.6	-55.4	-63.7	-86.1	0	0	108.7	Q449 L508 N511 G515 L516 Y519	Q449-Q513 PolarHBondContact O-OE1 3.24Å; Q449-Q513 VanDerWaalsContact O-OE1 3.06Å; L508-Q513 HydrophobicContact CB-CG 4.43Å; L508-Q513 HydrophobicContact CD2-CG 4Å; L508-Q513 WeakPolarHBondContact O-CG 3.3Å; L508-Q513 PolarHBondContact O-N 3.3Å; L508-Q513 VanDerWaalsContact O-N 3.09Å; N511-Q513 VanDerWaalsContact C-N 3.29Å; N511-Q513 HydrophobicContact CB-CG 4.49Å; N511-Q513 PolarHBondContact O-N 3.19Å; N511-Q513 VanDerWaalsContact O-N 3.16Å; N511-Q513 PolarHBondContact O-NE2 3.23Å; Q513-G515 VanDerWaalsContact C-N 3.29Å; Q513-G515 PolarHBondContact O-N 3.11Å; Q513-L516 HydrophobicContact CB-CD1 3.8Å; Q513-L516 HydrophobicContact CB-CG 4.19Å; Q513-L516 WeakPolarHBondContact O-CB 3.49Å; Q513-L516 PolarHBondContact O-N 3.47Å; Q513-L516 VanDerWaalsContact O-N 3.1Å; Q513-Y519 WeakPolarHBondContact CB-OH 3.4Å; Q513-Y519 PolarHBondContact O-OH 3.38Å
514	M	71.8	Confident	80.9	Confident	110 Å²	110	67.5 Å²	67.5	54%	0.542	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-64.2	-30	-163.6	-61.5	-59.3	-73.3	0	0	113.5	K512 L516 Q517	K512-M514 HydrophobicContact CB-CG 4.5Å; K512-M514 HydrophobicContact CB-SD 4.24Å; K512-M514 WeakPolarHBondContact O-CG 3.06Å; K512-M514 PolarHBondContact O-N 2.97Å; M514-L516 PolarHBondContact O-N 2.74Å; M514-L516 VanDerWaalsContact O-N 3.14Å; M514-Q517 VanDerWaalsContact CE-NE2 3.27Å; M514-Q517 WeakPolarHBondContact O-CB 3.4Å; M514-Q517 WeakPolarHBondContact O-CG 3.41Å; M514-Q517 PolarHBondContact O-N 3Å
515	G	76.4	Confident	78.5	Confident	50 Å²	50	74.2 Å²	74.2	52%	0.515	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-72.2	3.4	176.5	0	0	0	0	0	114.7	Q449 Q513	Q449-G515 VanDerWaalsContact NE2-C 3.31Å; Q449-G515 PolarHBondContact NE2-O 3.1Å; Q513-G515 VanDerWaalsContact C-N 3.29Å; Q513-G515 PolarHBondContact O-N 3.11Å
516	L	82.4	Confident	75.6	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-98.1	-3.7	170.3	-57.8	179.8	0	0	0	113.1	W438 D445 I446 L508 Q513 M514 Y519	W438-L516 HydrophobicContact CH2-CB 4.04Å; W438-L516 HydrophobicContact CH2-CD1 4.38Å; W438-L516 HydrophobicContact CZ2-CB 4.21Å; W438-L516 WeakPolarHBondContact CZ2-O 3.47Å; D445-L516 HydrophobicContact CB-CD2 3.64Å; I446-L516 HydrophobicContact CG1-CD1 4.01Å; I446-L516 HydrophobicContact CG1-CD2 4.11Å; L508-L516 HydrophobicContact CB-CD1 4.21Å; L508-L516 HydrophobicContact CD1-CD1 3.97Å; L508-L516 HydrophobicContact CD2-CD1 3.85Å; L508-L516 HydrophobicContact CG-CD1 4.23Å; Q513-L516 HydrophobicContact CB-CD1 3.8Å; Q513-L516 HydrophobicContact CB-CG 4.19Å; Q513-L516 WeakPolarHBondContact O-CB 3.49Å; Q513-L516 PolarHBondContact O-N 3.47Å; Q513-L516 VanDerWaalsContact O-N 3.1Å; M514-L516 PolarHBondContact O-N 2.74Å; M514-L516 VanDerWaalsContact O-N 3.14Å; L516-Y519 HydrophobicContact CB-CE1 4.23Å
517	Q	77.9	Confident	72.9	Confident	108 Å²	108	85.8 Å²	85.8	51%	0.505	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-64.8	148.7	-178.2	-71.4	-173.1	-9.3	0	0	112.8	M514 Y519	M514-Q517 VanDerWaalsContact CE-NE2 3.27Å; M514-Q517 WeakPolarHBondContact O-CB 3.4Å; M514-Q517 WeakPolarHBondContact O-CG 3.41Å; M514-Q517 PolarHBondContact O-N 3Å; Q517-Y519 HydrophobicContact CG-CD2 3.94Å; Q517-Y519 HydrophobicContact CG-CE2 3.8Å
518	P	81.4	Confident	69.7	Low	110 Å²	110	89.9 Å²	89.9	71%	0.714	48%	0.483	S	S	*	.	S	Bend	cis	-78.6	143.4	-1.7	32.4	-34.9	0	0	0	113.1	W438	W438-P518 PolarHBondContact NE1-O 3.02Å
519	Y	85.6	Confident	67	Low	31 Å²	31	95.8 Å²	95.8	12%	0.122	52%	0.521	C	S	.	.	P	Polyproline II helix	trans	-79.2	147.6	166.8	-68	-78.9	0	0	0	110.1	W438 V505 L508 K509 Q513 L516 Q517	W438-Y519 AromaticContact CH2-CD1 3.64Å; W438-Y519 HydrophobicContact CH2-CD1 3.64Å; W438-Y519 AromaticContact CH2-CE1 3.65Å; W438-Y519 HydrophobicContact CH2-CE1 3.65Å; W438-Y519 AromaticContact CZ2-CD1 3.66Å; W438-Y519 HydrophobicContact CZ2-CD1 3.66Å; W438-Y519 HydrophobicContact CZ2-CE1 4.02Å; W438-Y519 HydrophobicContact CZ2-CG 4.42Å; V505-Y519 HydrophobicContact CG1-CD1 4.06Å; L508-Y519 HydrophobicContact CB-CE1 3.84Å; L508-Y519 PolarHBondContact O-OH 3.38Å; K509-Y519 HydrophobicContact CB-CD1 4.24Å; K509-Y519 HydrophobicContact CB-CD2 4.24Å; K509-Y519 HydrophobicContact CB-CE1 4.16Å; K509-Y519 HydrophobicContact CB-CE2 4.21Å; K509-Y519 HydrophobicContact CB-CG 4.27Å; K509-Y519 HydrophobicContact CD-CD2 4.48Å; K509-Y519 HydrophobicContact CD-CG 4.41Å; K509-Y519 HydrophobicContact CG-CD2 4.11Å; K509-Y519 HydrophobicContact CG-CE2 4.34Å; K509-Y519 HydrophobicContact CG-CG 4.38Å; Q513-Y519 WeakPolarHBondContact CB-OH 3.4Å; Q513-Y519 PolarHBondContact O-OH 3.38Å; L516-Y519 HydrophobicContact CB-CE1 4.23Å; Q517-Y519 HydrophobicContact CG-CD2 3.94Å; Q517-Y519 HydrophobicContact CG-CE2 3.8Å
520	P	85.3	Confident	64.4	Low	19 Å²	19	95.8 Å²	95.8	12%	0.123	53%	0.534	C	S	.	.	P	Polyproline II helix	trans	-67.6	150.6	176.5	30.2	-35.7	0	0	0	111.5	I434 W438 V505 M522	I434-P520 HydrophobicContact CG2-CB 3.72Å; W438-P520 HydrophobicContact CB-CG 4.14Å; W438-P520 HydrophobicContact CD2-CG 4.32Å; W438-P520 HydrophobicContact CG-CG 3.97Å; V505-P520 HydrophobicContact CG1-CG 3.92Å; P520-M522 HydrophobicContact CB-CE 4.34Å; P520-M522 HydrophobicContact CG-CE 3.54Å; P520-M522 HydrophobicContact CG-SD 4.47Å; P520-M522 PolarHBondContact O-N 3.04Å
521	E	73.7	Confident	61.5	Low	184 Å²	184	97.4 Å²	97.4	86%	0.86	55%	0.551	S	S	*	*			trans	-79.4	100.6	177.6	-63.8	-165.7	152.1	0	0	110.6
522	M	71.8	Confident	58.8	Low	41 Å²	41	102 Å²	102	20%	0.202	58%	0.576	C	S	.	*			trans	-85.1	131.9	173.9	-56.5	-55	-174.2	0	0	110.6	A435 K502 V505 P520 V524	A435-M522 HydrophobicContact CB-CE 3.25Å; A435-M522 HydrophobicContact CB-SD 4.4Å; K502-M522 HydrophobicContact CG-CE 3.96Å; K502-M522 HydrophobicContact CG-SD 3.96Å; V505-M522 HydrophobicContact CB-CE 4.03Å; V505-M522 HydrophobicContact CG1-CE 3.85Å; V505-M522 HydrophobicContact CG2-CE 4.21Å; P520-M522 HydrophobicContact CB-CE 4.34Å; P520-M522 HydrophobicContact CG-CE 3.54Å; P520-M522 HydrophobicContact CG-SD 4.47Å; P520-M522 PolarHBondContact O-N 3.04Å; M522-V524 PolarHBondContact O-N 3.15Å
523	P	52.2	Low	56.1	Low	112 Å²	112	104.3 Å²	104.3	73%	0.727	59%	0.587	S	S	*	*			trans	-64	119	169.9	26.3	-32.8	0	0	0	109.8	V525	P523-V525 PolarHBondContact O-N 3.43Å
524	V	46.6	Very low	53.6	Low	127 Å²	127	111.1 Å²	111.1	77%	0.77	62%	0.618	S	S	*	*			trans	-82	110.4	-174.5	180	0	0	0	0	110.3	M522 S526	M522-V524 PolarHBondContact O-N 3.15Å; V524-S526 PolarHBondContact O-N 2.85Å; V524-S526 VanDerWaalsContact O-N 3.12Å
525	V	41.5	Very low	51.9	Low	140 Å²	140	114.5 Å²	114.5	85%	0.848	63%	0.632	S	S	*	*			trans	-71.9	102.1	162.6	-178.2	0	0	0	0	107.9	P523 R527	P523-V525 PolarHBondContact O-N 3.43Å; V525-R527 PolarHBondContact O-N 3.22Å
526	S	32.1	Very low	49.5	Very low	101 Å²	101	119.4 Å²	119.4	71%	0.706	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-68.6	117.6	-175.4	54.1	0	0	0	0	111.9	V524	V524-S526 PolarHBondContact O-N 2.85Å; V524-S526 VanDerWaalsContact O-N 3.12Å
527	R	35.5	Very low	47.2	Very low	225 Å²	225	128.5 Å²	128.5	85%	0.849	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-69.8	128	164.6	-72.6	-179.8	169.3	-172	-7	109.6	V525	V525-R527 PolarHBondContact O-N 3.22Å
528	T	25.6	Very low	45.2	Very low	132 Å²	132	129.1 Å²	129.1	81%	0.81	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-64.9	139.2	164.9	31.6	0	0	0	0	110.2
529	P	34.2	Very low	43	Very low	124 Å²	124	135.1 Å²	135.1	81%	0.805	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-75.7	142	178.7	30.7	-34	0	0	0	111.2	S531	P529-S531 PolarHBondContact O-N 3.38Å
530	S	33.9	Very low	40.8	Very low	107 Å²	107	140.4 Å²	140.4	75%	0.748	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-66.1	126.2	173.3	50	0	0	0	0	111.5	N532	S530-N532 PolarHBondContact O-N 3.23Å
531	S	28	Very low	38.5	Very low	107 Å²	107	146.7 Å²	146.7	75%	0.748	79%	0.792	S	S	*	*			trans	-74.9	115.7	175.8	38.8	0	0	0	0	111.6	P529 F533	P529-S531 PolarHBondContact O-N 3.38Å; S531-F533 PolarHBondContact O-N 2.79Å
532	N	30.7	Very low	36.5	Very low	132 Å²	132	144.7 Å²	144.7	71%	0.706	79%	0.788	S	S	*	*			trans	-69.5	120.8	172	-70.9	-26.8	0	0	0	110.4	S530 H534	S530-N532 PolarHBondContact O-N 3.23Å; N532-H534 PolarHBondContact O-N 3.41Å; N532-H534 VanDerWaalsContact O-N 3.11Å
533	F	29.1	Very low	34.5	Very low	208 Å²	208	150.8 Å²	150.8	91%	0.912	82%	0.822	S	S	*	*			trans	-72.6	99.4	167.2	-98.1	-88.9	0	0	0	110.2	S531	S531-F533 PolarHBondContact O-N 2.79Å
534	H	30.2	Very low	33.4	Very low	165 Å²	165	153.2 Å²	153.2	76%	0.764	83%	0.828	S	S	*	*			trans	-81.5	143.4	168.4	-87.6	-83.4	0	0	0	111.6	N532	N532-H534 PolarHBondContact O-N 3.41Å; N532-H534 VanDerWaalsContact O-N 3.11Å
535	Q	35.6	Very low	32.5	Very low	181 Å²	181	154.9 Å²	154.9	85%	0.846	83%	0.832	S	S	*	*			trans	-74.9	138	173.5	-63.7	173.6	-23.3	0	0	111.7
536	N	26.7	Very low	31.8	Very low	154 Å²	154	156 Å²	156	82%	0.824	83%	0.831	S	S	*	*			trans	-155.6	128	148.9	-87.5	-36.6	0	0	0	104.7
537	K	33.8	Very low	31.8	Very low	190 Å²	190	160.2 Å²	160.2	83%	0.826	84%	0.84	S	S	*	*			cis	61.9	133.6	39.7	-78.9	-164.4	173.6	-175.2	0	114.1
538	S	35	Very low	31.5	Very low	121 Å²	121	154.8 Å²	154.8	85%	0.846	84%	0.84	S	S	*	*			trans	71.5	132.1	-165.9	-43.9	0	0	0	0	112.1
539	L	35.3	Very low	32.1	Very low	237 Å²	237	156.9 Å²	156.9	100%	1.241	84%	0.842	S	S	*	*			cis	-139.4	0	3	-123.2	163.7	0	0	0	110

Retrieved 539 of 539 residues in 343.8 ms (Link to these results)

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