A0A077Z8J9_TRITR Loading...

Pkinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8J9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 288 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	27.4	Very low	31.5	Very low	169 Å²	169	137.1 Å²	137.1	83%	0.833	67%	0.668	S	S	*	*				0	99.5	0	-159.2	175.7	81.5	0	0	106.5	L3	M1-L3 PolarHBondContact O-N 3.38Å
2	I	31.2	Very low	32.6	Very low	125 Å²	125	144.3 Å²	144.3	64%	0.641	68%	0.683	S	S	*	*			trans	-49.7	130.5	161.1	-64.7	168.2	0	0	0	105	Q4	I2-Q4 VanDerWaalsContact C-N 3.26Å; I2-Q4 PolarHBondContact O-N 2.87Å
3	L	28.7	Very low	33.3	Very low	111 Å²	111	139.7 Å²	139.7	58%	0.581	66%	0.664	S	S	*	*			trans	-48.5	91.4	-179.7	-94.4	88.2	0	0	0	110.3	M1 C5	M1-L3 PolarHBondContact O-N 3.38Å; L3-C5 PolarHBondContact O-N 3.08Å; L3-C5 VanDerWaalsContact O-N 3.09Å
4	Q	28.1	Very low	34.3	Very low	138 Å²	138	134.3 Å²	134.3	65%	0.645	64%	0.64	S	S	*	*			trans	-79.1	80.9	154.8	-97	177.7	-31.4	0	0	103.5	I2 Y6	I2-Q4 VanDerWaalsContact C-N 3.26Å; I2-Q4 PolarHBondContact O-N 2.87Å; Q4-Y6 VanDerWaalsContact C-N 3.32Å; Q4-Y6 WeakPolarHBondContact O-CD2 3.19Å; Q4-Y6 PolarHBondContact O-N 2.74Å
5	C	29.1	Very low	35.4	Very low	59 Å²	59	132.4 Å²	132.4	40%	0.399	64%	0.635	S	S	.	*			trans	-55.3	102.6	166	-78.4	0	0	0	0	107.3	L3 F7	L3-C5 PolarHBondContact O-N 3.08Å; L3-C5 VanDerWaalsContact O-N 3.09Å; C5-F7 PolarHBondContact O-N 3.24Å
6	Y	26.1	Very low	36.1	Very low	193 Å²	193	130.1 Å²	130.1	76%	0.757	63%	0.627	S	S	*	*			trans	-62.4	120.1	169.7	-86	-94.2	0	0	0	108.2	Q4 Y8	Q4-Y6 VanDerWaalsContact C-N 3.32Å; Q4-Y6 WeakPolarHBondContact O-CD2 3.19Å; Q4-Y6 PolarHBondContact O-N 2.74Å; Y6-Y8 PolarHBondContact O-N 2.81Å
7	F	28.1	Very low	36.8	Very low	180 Å²	180	126.8 Å²	126.8	79%	0.789	61%	0.61	S	S	*	*	S	Bend	trans	-64.1	90.2	178.8	-90.7	-101	0	0	0	111.3	C5	C5-F7 PolarHBondContact O-N 3.24Å
8	Y	29.5	Very low	37.6	Very low	229 Å²	229	124.8 Å²	124.8	90%	0.898	60%	0.603	S	S	*	*			trans	-156.6	76.2	158.1	-83.4	-72	0	0	0	110	Y6	Y6-Y8 PolarHBondContact O-N 2.81Å
9	A	32.5	Very low	38.6	Very low	54 Å²	54	124.1 Å²	124.1	45%	0.446	60%	0.6	S	S	.	*			trans	-157	149.7	164.6	0	0	0	0	0	112.5	L13	A9-L13 HydrophobicContact CB-CB 4.04Å; A9-L13 HydrophobicContact CB-CD1 3.32Å; A9-L13 HydrophobicContact CB-CG 4.29Å
10	S	37.2	Very low	39.3	Very low	85 Å²	85	119.7 Å²	119.7	59%	0.594	58%	0.579	S	S	*	*			trans	-55.4	158.3	-168.8	66	0	0	0	0	114.8	R12 L13	S10-R12 PolarHBondContact O-N 2.8Å; S10-L13 PolarHBondContact O-N 3Å
11	H	48.2	Very low	40.1	Very low	165 Å²	165	120.3 Å²	120.3	76%	0.764	58%	0.576	S	S	*	*	H	α-helix	trans	-43.1	-30.2	-173.4	-99.1	-87	0	0	0	116.6
12	R	45.5	Very low	41.7	Very low	224 Å²	224	116.4 Å²	116.4	85%	0.845	56%	0.558	S	S	*	*	H	α-helix	trans	-73.7	-22.9	177.8	-67.3	-169.1	-168.7	-159.6	3.9	114.3	S10	S10-R12 PolarHBondContact O-N 2.8Å
13	L	40.7	Very low	43.1	Very low	84 Å²	84	112.6 Å²	112.6	44%	0.44	54%	0.536	S	S	.	.	H	α-helix	trans	-81	-24.2	177.4	-80.7	158	0	0	0	112.3	A9 S10 L16 Q17	A9-L13 HydrophobicContact CB-CB 4.04Å; A9-L13 HydrophobicContact CB-CD1 3.32Å; A9-L13 HydrophobicContact CB-CG 4.29Å; S10-L13 PolarHBondContact O-N 3Å; L13-L16 PolarHBondContact O-N 2.96Å; L13-Q17 WeakPolarHBondContact O-CB 3.39Å; L13-Q17 WeakPolarHBondContact O-CG 3.34Å; L13-Q17 PolarHBondContact O-N 2.83Å
14	I	48.4	Very low	44.6	Very low	64 Å²	64	108.9 Å²	108.9	33%	0.328	52%	0.516	S	S	.	.	H	α-helix	trans	-65	-44.4	179.5	-61.8	175.3	0	0	0	111	L16 Q17 L18	I14-L16 PolarHBondContact O-N 3.23Å; I14-Q17 PolarHBondContact O-N 2.71Å; I14-L18 HydrophobicContact CG2-CD1 3.75Å; I14-L18 WeakPolarHBondContact O-CB 3.5Å; I14-L18 PolarHBondContact O-N 3.41Å
15	D	50.1	Low	46.2	Very low	106 Å²	106	106.9 Å²	106.9	57%	0.567	51%	0.505	S	S	*	.	H	α-helix	trans	-66.1	-38.4	179.8	-71.2	-26.9	0	0	0	112.3	L18 M19	D15-L18 PolarHBondContact O-N 2.9Å; D15-M19 WeakPolarHBondContact O-CB 3.39Å; D15-M19 PolarHBondContact O-N 3.46Å
16	L	47.7	Very low	47.8	Very low	96 Å²	96	112.6 Å²	112.6	50%	0.503	52%	0.518	S	S	.	.	H	α-helix	trans	-66.6	-41.3	175	-119.3	135.3	0	0	0	111	L13 I14 M19 L20	L13-L16 PolarHBondContact O-N 2.96Å; I14-L16 PolarHBondContact O-N 3.23Å; L16-M19 PolarHBondContact O-N 3.32Å; L16-L20 WeakPolarHBondContact O-CB 3.06Å; L16-L20 WeakPolarHBondContact O-CD1 3.23Å; L16-L20 WeakPolarHBondContact O-CG 3.44Å; L16-L20 PolarHBondContact O-N 3.46Å
17	Q	47.6	Very low	49.2	Very low	74 Å²	74	104.4 Å²	104.4	35%	0.346	49%	0.487	S	S	.	.	H	α-helix	trans	-65.9	-40.8	174.4	-79.3	-176.6	-22	0	0	112.8	L13 I14 L20 W21	L13-Q17 WeakPolarHBondContact O-CB 3.39Å; L13-Q17 WeakPolarHBondContact O-CG 3.34Å; L13-Q17 PolarHBondContact O-N 2.83Å; I14-Q17 PolarHBondContact O-N 2.71Å; Q17-L20 WeakPolarHBondContact O-CB 3.39Å; Q17-L20 PolarHBondContact O-N 2.82Å; Q17-W21 VanDerWaalsContact O-CB 3.29Å; Q17-W21 WeakPolarHBondContact O-CB 3.48Å; Q17-W21 PolarHBondContact O-N 3.4Å
18	L	51.6	Low	50.6	Low	91 Å²	91	98.1 Å²	98.1	48%	0.476	46%	0.461	S	S	.	.	H	α-helix	trans	-67.9	-38.9	175.6	-106.3	125.5	0	0	0	111.9	I14 D15 W21 N22	I14-L18 HydrophobicContact CG2-CD1 3.75Å; I14-L18 WeakPolarHBondContact O-CB 3.5Å; I14-L18 PolarHBondContact O-N 3.41Å; D15-L18 PolarHBondContact O-N 2.9Å; L18-W21 PolarHBondContact O-N 3.2Å; L18-N22 WeakPolarHBondContact O-CB 3.13Å; L18-N22 VanDerWaalsContact O-CG 3.32Å; L18-N22 PolarHBondContact O-N 2.72Å; L18-N22 PolarHBondContact O-ND2 3.01Å
19	M	55.6	Low	51.9	Low	110 Å²	110	93.3 Å²	93.3	54%	0.542	45%	0.448	S	S	.	.	H	α-helix	trans	-62.9	-44.6	171.6	-88.8	-166.6	-108	0	0	111.6	D15 L16 N22 R23	D15-M19 WeakPolarHBondContact O-CB 3.39Å; D15-M19 PolarHBondContact O-N 3.46Å; L16-M19 PolarHBondContact O-N 3.32Å; M19-N22 PolarHBondContact O-N 2.98Å; M19-R23 WeakPolarHBondContact O-CB 3.39Å; M19-R23 WeakPolarHBondContact O-CG 3.5Å; M19-R23 PolarHBondContact O-N 3Å
20	L	53.2	Low	52.9	Low	36 Å²	36	96.8 Å²	96.8	19%	0.188	46%	0.458	C	S	.	.	H	α-helix	trans	-59.7	-45.8	173.9	-84.1	159.3	0	0	0	111.4	L16 Q17 R23 I24 L43 Y45 I79	L16-L20 WeakPolarHBondContact O-CB 3.06Å; L16-L20 WeakPolarHBondContact O-CD1 3.23Å; L16-L20 WeakPolarHBondContact O-CG 3.44Å; L16-L20 PolarHBondContact O-N 3.46Å; Q17-L20 WeakPolarHBondContact O-CB 3.39Å; Q17-L20 PolarHBondContact O-N 2.82Å; L20-R23 CarbonylContact O-C 3.58Å; L20-R23 PolarHBondContact O-N 3.14Å; L20-I24 WeakPolarHBondContact O-CB 3.41Å; L20-I24 VanDerWaalsContact O-CG1 3.28Å; L20-I24 WeakPolarHBondContact O-CG1 3.28Å; L20-I24 PolarHBondContact O-N 3.46Å; L20-L43 HydrophobicContact CD2-CD1 4.14Å; L20-Y45 VanDerWaalsContact CD1-OH 3.25Å; L20-Y45 WeakPolarHBondContact CD1-OH 3.35Å; L20-Y45 WeakPolarHBondContact CD2-OH 3.46Å; L20-I79 HydrophobicContact CD2-CD1 3.99Å
21	W	55.1	Low	53.5	Low	133 Å²	133	93.5 Å²	93.5	50%	0.504	43%	0.434	S	S	.	.	H	α-helix	trans	-63.6	-44.9	178.9	-177.8	-95.4	0	0	0	112.1	Q17 L18 R23 I24 K25	Q17-W21 VanDerWaalsContact O-CB 3.29Å; Q17-W21 WeakPolarHBondContact O-CB 3.48Å; Q17-W21 PolarHBondContact O-N 3.4Å; L18-W21 PolarHBondContact O-N 3.2Å; W21-R23 VanDerWaalsContact C-N 3.25Å; W21-R23 PolarHBondContact O-N 3.38Å; W21-I24 PolarHBondContact O-N 2.82Å; W21-K25 VanDerWaalsContact NE1-CE 3.25Å; W21-K25 VanDerWaalsContact O-CB 3.27Å; W21-K25 WeakPolarHBondContact O-CB 3.34Å; W21-K25 WeakPolarHBondContact O-CG 3.26Å; W21-K25 PolarHBondContact O-N 3.07Å
22	N	62	Low	53.7	Low	87 Å²	87	91.7 Å²	91.7	47%	0.465	42%	0.421	S	S	.	.	H	α-helix	trans	-65.8	-30.2	176	-74.2	-31.2	0	0	0	112	L18 M19 R26	L18-N22 WeakPolarHBondContact O-CB 3.13Å; L18-N22 VanDerWaalsContact O-CG 3.32Å; L18-N22 PolarHBondContact O-N 2.72Å; L18-N22 PolarHBondContact O-ND2 3.01Å; M19-N22 PolarHBondContact O-N 2.98Å; N22-R26 PolarHBondContact O-N 2.81Å
23	R	60.4	Low	54	Low	46 Å²	46	86.1 Å²	86.1	17%	0.174	42%	0.416	C	S	.	.	H	α-helix	trans	-75.7	-45.6	173.6	-79.8	178.9	-177.5	-153.5	24.7	112.9	M19 L20 W21 K25 R26 I27 D76 R77	M19-R23 WeakPolarHBondContact O-CB 3.39Å; M19-R23 WeakPolarHBondContact O-CG 3.5Å; M19-R23 PolarHBondContact O-N 3Å; L20-R23 CarbonylContact O-C 3.58Å; L20-R23 PolarHBondContact O-N 3.14Å; W21-R23 VanDerWaalsContact C-N 3.25Å; W21-R23 PolarHBondContact O-N 3.38Å; R23-K25 PolarHBondContact O-N 3.06Å; R23-R26 CarbonylContact O-C 3.58Å; R23-R26 WeakPolarHBondContact O-CA 3.42Å; R23-R26 WeakPolarHBondContact O-CB 3.31Å; R23-R26 PolarHBondContact O-N 3.22Å; R23-I27 WeakPolarHBondContact O-CG1 3.46Å; R23-I27 PolarHBondContact O-N 2.92Å; R23-D76 WeakPolarHBondContact CD-OD2 3.12Å; R23-D76 IonicContact CZ-OD2 3.7Å; R23-D76 IonicContact NE-OD2 3.14Å; R23-D76 PolarHBondContact NH1-O 2.96Å; R23-D76 IonicContact NH1-OD1 3.29Å; R23-D76 IonicContact NH1-OD2 3.93Å; R23-D76 PolarHBondContact NH1-OD2 3.37Å; R23-R77 VanDerWaalsContact NH2-CD 3.34Å
24	I	59.7	Low	54.3	Low	32 Å²	32	85.2 Å²	85.2	16%	0.164	42%	0.421	C	S	.	.	H	α-helix	trans	-57.7	-43	171	-69.1	167.1	0	0	0	108.8	L20 W21 R26 I27 Q28 L43	L20-I24 WeakPolarHBondContact O-CB 3.41Å; L20-I24 VanDerWaalsContact O-CG1 3.28Å; L20-I24 WeakPolarHBondContact O-CG1 3.28Å; L20-I24 PolarHBondContact O-N 3.46Å; W21-I24 PolarHBondContact O-N 2.82Å; I24-R26 PolarHBondContact O-N 3.05Å; I24-I27 PolarHBondContact O-N 3.18Å; I24-Q28 HydrophobicContact CG2-CG 4.16Å; I24-Q28 WeakPolarHBondContact O-CB 3.49Å; I24-Q28 WeakPolarHBondContact O-CG 3.37Å; I24-Q28 PolarHBondContact O-N 3.38Å; I24-L43 HydrophobicContact CD1-CD1 3.96Å; I24-L43 HydrophobicContact CG1-CD1 4.1Å
25	K	61.8	Low	54.4	Low	97 Å²	97	89.6 Å²	89.6	42%	0.422	44%	0.44	S	S	.	.	H	α-helix	trans	-61.9	-38.1	172.6	-86.3	-168.5	167.1	-174.4	0	112.8	W21 R23 M29	W21-K25 VanDerWaalsContact NE1-CE 3.25Å; W21-K25 VanDerWaalsContact O-CB 3.27Å; W21-K25 WeakPolarHBondContact O-CB 3.34Å; W21-K25 WeakPolarHBondContact O-CG 3.26Å; W21-K25 PolarHBondContact O-N 3.07Å; R23-K25 PolarHBondContact O-N 3.06Å; K25-M29 WeakPolarHBondContact O-CB 3.2Å; K25-M29 WeakPolarHBondContact O-CG 3.24Å; K25-M29 PolarHBondContact O-N 2.81Å
26	R	61.9	Low	54.8	Low	178 Å²	178	90.7 Å²	90.7	67%	0.672	45%	0.453	S	S	*	.	H	α-helix	trans	-64.7	-48.8	173.4	-85.1	-172.7	-166.4	-153.5	1.5	111.4	N22 R23 I24 M29 L30	N22-R26 PolarHBondContact O-N 2.81Å; R23-R26 CarbonylContact O-C 3.58Å; R23-R26 WeakPolarHBondContact O-CA 3.42Å; R23-R26 WeakPolarHBondContact O-CB 3.31Å; R23-R26 PolarHBondContact O-N 3.22Å; I24-R26 PolarHBondContact O-N 3.05Å; R26-M29 HydrophobicContact CG-CE 4.38Å; R26-M29 PolarHBondContact O-N 3.02Å; R26-L30 VanDerWaalsContact O-CG 3.32Å; R26-L30 WeakPolarHBondContact O-CG 3.15Å; R26-L30 PolarHBondContact O-N 3.24Å
27	I	57.2	Low	55.4	Low	21 Å²	21	88.8 Å²	88.8	11%	0.108	45%	0.446	C	S	.	.	H	α-helix	trans	-59.3	-49.6	177	-66.6	169.9	0	0	0	109.4	R23 I24 M29 L30 I31 V41 Y81 V83	R23-I27 WeakPolarHBondContact O-CG1 3.46Å; R23-I27 PolarHBondContact O-N 2.92Å; I24-I27 PolarHBondContact O-N 3.18Å; I27-M29 PolarHBondContact O-N 3.34Å; I27-L30 WeakPolarHBondContact O-CB 3.4Å; I27-L30 PolarHBondContact O-N 3.2Å; I27-I31 HydrophobicContact CG2-CD1 3.66Å; I27-I31 HydrophobicContact CG2-CG1 4.5Å; I27-I31 WeakPolarHBondContact O-CD1 3.46Å; I27-I31 WeakPolarHBondContact O-CG1 3.13Å; I27-I31 PolarHBondContact O-N 2.87Å; I27-V41 HydrophobicContact CG2-CG2 4.43Å; I27-Y81 HydrophobicContact CD1-CD1 4.35Å; I27-Y81 HydrophobicContact CD1-CG 4.37Å; I27-V83 HydrophobicContact CG2-CG2 4.36Å
28	Q	56.8	Low	56.5	Low	49 Å²	49	88.4 Å²	88.4	23%	0.229	45%	0.445	C	S	.	.	H	α-helix	trans	-57.5	-44.2	173.4	-81.3	-176.2	-34	0	0	112.4	I24 L30 I31 Y32	I24-Q28 HydrophobicContact CG2-CG 4.16Å; I24-Q28 WeakPolarHBondContact O-CB 3.49Å; I24-Q28 WeakPolarHBondContact O-CG 3.37Å; I24-Q28 PolarHBondContact O-N 3.38Å; Q28-L30 VanDerWaalsContact C-N 3.32Å; Q28-L30 PolarHBondContact O-N 3.3Å; Q28-I31 CarbonylContact O-C 3.52Å; Q28-I31 PolarHBondContact O-N 2.93Å; Q28-I31 VanDerWaalsContact O-N 3.14Å; Q28-Y32 HydrophobicContact CB-CD2 4.05Å; Q28-Y32 HydrophobicContact CB-CE2 3.89Å; Q28-Y32 HydrophobicContact CG-CE2 4.34Å; Q28-Y32 WeakPolarHBondContact O-CB 3.49Å; Q28-Y32 WeakPolarHBondContact O-CD2 3.47Å; Q28-Y32 PolarHBondContact O-N 3.4Å
29	M	57.4	Low	57.4	Low	128 Å²	128	84.5 Å²	84.5	63%	0.631	43%	0.425	S	S	*	.	H	α-helix	trans	-65.1	-35.2	177.7	-81.3	-169.4	-60.8	0	0	112.2	K25 R26 I27 I31	K25-M29 WeakPolarHBondContact O-CB 3.2Å; K25-M29 WeakPolarHBondContact O-CG 3.24Å; K25-M29 PolarHBondContact O-N 2.81Å; R26-M29 HydrophobicContact CG-CE 4.38Å; R26-M29 PolarHBondContact O-N 3.02Å; I27-M29 PolarHBondContact O-N 3.34Å; M29-I31 VanDerWaalsContact C-N 3.34Å
30	L	52.8	Low	58.3	Low	126 Å²	126	81.1 Å²	81.1	66%	0.66	41%	0.411	S	S	*	.	H	α-helix	trans	-64.8	-41.8	171.6	-68	167.8	0	0	0	110.2	R26 I27 Q28 S33	R26-L30 VanDerWaalsContact O-CG 3.32Å; R26-L30 WeakPolarHBondContact O-CG 3.15Å; R26-L30 PolarHBondContact O-N 3.24Å; I27-L30 WeakPolarHBondContact O-CB 3.4Å; I27-L30 PolarHBondContact O-N 3.2Å; Q28-L30 VanDerWaalsContact C-N 3.32Å; Q28-L30 PolarHBondContact O-N 3.3Å; L30-S33 PolarHBondContact O-OG 2.89Å
31	I	50.8	Low	59.3	Low	17 Å²	17	80.7 Å²	80.7	9%	0.087	41%	0.41	C	S	.	.	H	α-helix	trans	-69.6	-45.7	179.3	-60.9	156.1	0	0	0	112.5	I27 Q28 M29 S33 A34 P39 V41 V83	I27-I31 HydrophobicContact CG2-CD1 3.66Å; I27-I31 HydrophobicContact CG2-CG1 4.5Å; I27-I31 WeakPolarHBondContact O-CD1 3.46Å; I27-I31 WeakPolarHBondContact O-CG1 3.13Å; I27-I31 PolarHBondContact O-N 2.87Å; Q28-I31 CarbonylContact O-C 3.52Å; Q28-I31 PolarHBondContact O-N 2.93Å; Q28-I31 VanDerWaalsContact O-N 3.14Å; M29-I31 VanDerWaalsContact C-N 3.34Å; I31-S33 PolarHBondContact O-N 3.44Å; I31-A34 PolarHBondContact O-N 2.92Å; I31-P39 HydrophobicContact CB-CG 4.29Å; I31-P39 HydrophobicContact CD1-CB 4.13Å; I31-P39 HydrophobicContact CD1-CG 3.92Å; I31-P39 HydrophobicContact CG2-CB 4.08Å; I31-P39 HydrophobicContact CG2-CG 3.7Å; I31-V41 HydrophobicContact CD1-CG2 4.48Å; I31-V83 HydrophobicContact CD1-CB 4.35Å; I31-V83 HydrophobicContact CD1-CG1 3.43Å; I31-V83 VanDerWaalsContact CD1-CG1 3.43Å; I31-V83 HydrophobicContact CD1-CG2 3.96Å; I31-V83 HydrophobicContact CG1-CG1 4.17Å
32	Y	51.8	Low	60.3	Low	127 Å²	127	77.2 Å²	77.2	50%	0.498	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-13.9	-179.1	-80.6	-61.9	0	0	0	113.6	Q28 A34	Q28-Y32 HydrophobicContact CB-CD2 4.05Å; Q28-Y32 HydrophobicContact CB-CE2 3.89Å; Q28-Y32 HydrophobicContact CG-CE2 4.34Å; Q28-Y32 WeakPolarHBondContact O-CB 3.49Å; Q28-Y32 WeakPolarHBondContact O-CD2 3.47Å; Q28-Y32 PolarHBondContact O-N 3.4Å; Y32-A34 PolarHBondContact O-N 3.24Å
33	S	52.4	Low	61	Low	106 Å²	106	75.9 Å²	75.9	74%	0.741	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-14.3	171.9	74.4	0	0	0	0	113.5	L30 I31	L30-S33 PolarHBondContact O-OG 2.89Å; I31-S33 PolarHBondContact O-N 3.44Å
34	A	46.7	Very low	61.6	Low	65 Å²	65	74.6 Å²	74.6	54%	0.537	39%	0.389	S	S	.	.	S	Bend	trans	-124.6	105.6	-179.8	0	0	0	0	0	110.6	I31 Y32	I31-A34 PolarHBondContact O-N 2.92Å; Y32-A34 PolarHBondContact O-N 3.24Å
35	E	49.8	Very low	62.1	Low	156 Å²	156	78.8 Å²	78.8	73%	0.729	40%	0.404	S	S	*	.			trans	63.9	153.2	169.1	-65.8	-151	171.8	0	0	118.2	V37	E35-V37 HydrophobicContact CB-CG2 4.33Å; E35-V37 PolarHBondContact O-N 2.97Å
36	P	57.5	Low	62.3	Low	130 Å²	130	79.4 Å²	79.4	84%	0.844	41%	0.412	S	S	*	.	S	Bend	trans	-73.4	19.7	-174	30.9	-36.3	0	0	0	114.4
37	V	62.3	Low	62	Low	56 Å²	56	75.9 Å²	75.9	34%	0.339	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-80.8	129.6	-177.7	-162.5	0	0	0	0	109.4	E35 P39 M71	E35-V37 HydrophobicContact CB-CG2 4.33Å; E35-V37 PolarHBondContact O-N 2.97Å; V37-P39 VanDerWaalsContact O-CD 3.26Å; V37-P39 WeakPolarHBondContact O-CD 3.32Å; V37-M71 HydrophobicContact CB-CE 3.69Å; V37-M71 HydrophobicContact CG1-CE 3.22Å
38	I	68.7	Low	62.1	Low	66 Å²	66	84.6 Å²	84.6	34%	0.338	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-84.7	117	174.8	-57.4	168.3	0	0	0	107.4	L86	I38-L86 HydrophobicContact CB-CB 4.31Å; I38-L86 HydrophobicContact CB-CD2 4.14Å; I38-L86 HydrophobicContact CG2-CB 4.26Å; I38-L86 HydrophobicContact CG2-CD2 3.46Å; I38-L86 VanDerWaalsContact CG2-CD2 3.46Å; I38-L86 WeakPolarHBondContact O-CB 3.44Å; I38-L86 PolarHBondContact O-N 3.12Å
39	P	71	Confident	62.5	Low	8 Å²	8	86.3 Å²	86.3	5%	0.052	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	148.5	-179.8	32.9	-37.2	0	0	0	112.4	I31 V37 M71 V83 M84	I31-P39 HydrophobicContact CB-CG 4.29Å; I31-P39 HydrophobicContact CD1-CB 4.13Å; I31-P39 HydrophobicContact CD1-CG 3.92Å; I31-P39 HydrophobicContact CG2-CB 4.08Å; I31-P39 HydrophobicContact CG2-CG 3.7Å; V37-P39 VanDerWaalsContact O-CD 3.26Å; V37-P39 WeakPolarHBondContact O-CD 3.32Å; P39-M71 HydrophobicContact CB-SD 3.9Å; P39-V83 HydrophobicContact CB-CG1 3.52Å; P39-M84 CarbonylContact C-O 3.49Å; P39-M84 WeakPolarHBondContact CA-O 3.37Å
40	T	75.8	Confident	63.6	Low	40 Å²	40	83.5 Å²	83.5	25%	0.245	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	138.6	155.2	-52.8	0	0	0	0	108.4	V83 M84 L86	T40-V83 WeakPolarHBondContact O-CA 3.22Å; T40-M84 PolarHBondContact N-O 3.2Å; T40-M84 PolarHBondContact O-N 2.88Å; T40-M84 VanDerWaalsContact O-N 3.09Å; T40-L86 VanDerWaalsContact OG1-CA 3.31Å; T40-L86 WeakPolarHBondContact OG1-CA 3.38Å; T40-L86 WeakPolarHBondContact OG1-CD1 3.34Å
41	V	73.7	Confident	65.2	Low	27 Å²	27	77.9 Å²	77.9	16%	0.164	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118.5	174	-175.4	0	0	0	0	109	I27 I31 L43 L82 V83	I27-V41 HydrophobicContact CG2-CG2 4.43Å; I31-V41 HydrophobicContact CD1-CG2 4.48Å; V41-L43 HydrophobicContact CG1-CD2 3.76Å; V41-L43 HydrophobicContact CG1-CG 4.29Å; V41-L82 WeakPolarHBondContact CA-O 3.39Å; V41-V83 HydrophobicContact CG2-CG2 4.39Å
42	E	75.9	Confident	67.1	Low	60 Å²	60	80 Å²	80	28%	0.28	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	141.2	169.3	-63.6	-165.5	159.3	0	0	110.2	L51 Y81 L82 M84	E42-L51 HydrophobicContact CB-CD2 4.15Å; E42-Y81 VanDerWaalsContact O-CA 3.25Å; E42-Y81 WeakPolarHBondContact O-CA 3.38Å; E42-L82 HydrophobicContact CB-CB 4.47Å; E42-L82 PolarHBondContact N-O 3.32Å; E42-L82 PolarHBondContact O-N 3.12Å; E42-L82 VanDerWaalsContact O-N 3.07Å; E42-M84 HydrophobicContact CG-CE 4.49Å
43	L	75.7	Confident	69	Low	58 Å²	58	77.1 Å²	77.1	30%	0.304	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131	-175.7	-59.7	177.1	0	0	0	109.8	L20 I24 V41 I79 N80	L20-L43 HydrophobicContact CD2-CD1 4.14Å; I24-L43 HydrophobicContact CD1-CD1 3.96Å; I24-L43 HydrophobicContact CG1-CD1 4.1Å; V41-L43 HydrophobicContact CG1-CD2 3.76Å; V41-L43 HydrophobicContact CG1-CG 4.29Å; L43-I79 HydrophobicContact CB-CG2 4.14Å; L43-I79 HydrophobicContact CD2-CG2 3.9Å; L43-N80 WeakPolarHBondContact CA-O 3.17Å
44	S	74.3	Confident	71	Confident	19 Å²	19	72.5 Å²	72.5	13%	0.133	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.3	173.9	179.9	0	0	0	0	110.8	N46 N80	S44-N46 PolarHBondContact OG-N 2.92Å; S44-N80 PolarHBondContact N-O 3.04Å; S44-N80 PolarHBondContact O-N 3.41Å
45	Y	70.9	Confident	73.2	Confident	120 Å²	120	69.5 Å²	69.5	47%	0.471	37%	0.365	S	S	.	.			trans	-89.8	-9.4	171.1	-69.3	-88.6	0	0	0	112.7	L20 I79	L20-Y45 VanDerWaalsContact CD1-OH 3.25Å; L20-Y45 WeakPolarHBondContact CD1-OH 3.35Å; L20-Y45 WeakPolarHBondContact CD2-OH 3.46Å; Y45-I79 HydrophobicContact CD1-CG1 4Å; Y45-I79 HydrophobicContact CE1-CD1 3.63Å; Y45-I79 HydrophobicContact CE1-CG1 3.61Å
46	N	65.5	Low	75.4	Confident	110 Å²	110	67 Å²	67	59%	0.588	35%	0.352	S	S	*	.	S	Bend	trans	-73.4	133	-179.6	-70.2	-26.2	0	0	0	108.9	S44 R48 N80	S44-N46 PolarHBondContact OG-N 2.92Å; N46-R48 PolarHBondContact O-N 3.44Å; N46-R48 VanDerWaalsContact O-N 3.12Å; N46-N80 PolarHBondContact O-ND2 3.2Å
47	A	55.6	Low	77.2	Confident	104 Å²	104	60.9 Å²	60.9	86%	0.86	31%	0.312	S	S	*	.	S	Bend	trans	-62.6	-15	172.6	0	0	0	0	0	112.8
48	R	58.6	Low	78.9	Confident	205 Å²	205	58.3 Å²	58.3	77%	0.774	30%	0.296	S	S	*	.	S	Bend	trans	-73	127.7	174.6	-70.6	-172.1	-177.6	-175.8	0.6	110.1	N46 N50	N46-R48 PolarHBondContact O-N 3.44Å; N46-R48 VanDerWaalsContact O-N 3.12Å; R48-N50 PolarHBondContact O-N 3.4Å
49	N	64.4	Low	80.2	Confident	85 Å²	85	62.1 Å²	62.1	46%	0.455	31%	0.307	S	S	.	.			trans	-76.8	39	-167	-122.6	16	0	0	0	114.6	L51 D52 K53	N49-L51 VanDerWaalsContact C-N 3.28Å; N49-L51 PolarHBondContact O-N 3.47Å; N49-D52 HydrophobicContact CB-CB 4.24Å; N49-D52 PolarHBondContact ND2-OD2 2.88Å; N49-D52 PolarHBondContact O-N 2.96Å; N49-D52 PolarHBondContact OD1-OD2 3.02Å; N49-K53 PolarHBondContact O-N 3.24Å
50	N	81.4	Confident	81.4	Confident	68 Å²	68	69 Å²	69	36%	0.364	33%	0.332	S	S	.	.	H	α-helix	trans	-58	-43.1	-176.9	-71.6	2.7	0	0	0	111.1	R48 D52 K53 E54	R48-N50 PolarHBondContact O-N 3.4Å; N50-D52 VanDerWaalsContact C-N 3.34Å; N50-D52 PolarHBondContact O-N 3.03Å; N50-K53 WeakPolarHBondContact O-CB 3.46Å; N50-K53 PolarHBondContact O-N 3.41Å; N50-E54 WeakPolarHBondContact O-CG 3.26Å; N50-E54 PolarHBondContact O-N 3.47Å
51	L	87.3	Confident	82.4	Confident	9 Å²	9	67.5 Å²	67.5	5%	0.047	32%	0.322	C	S	.	.	H	α-helix	trans	-66.5	-32.5	-179.9	-64.5	-176	0	0	0	113.4	E42 N49 K53 E54 A55 N80 L82	E42-L51 HydrophobicContact CB-CD2 4.15Å; N49-L51 VanDerWaalsContact C-N 3.28Å; N49-L51 PolarHBondContact O-N 3.47Å; L51-K53 VanDerWaalsContact C-N 3.34Å; L51-E54 PolarHBondContact O-N 3.22Å; L51-A55 VanDerWaalsContact O-CB 3.29Å; L51-A55 WeakPolarHBondContact O-CB 3.34Å; L51-A55 PolarHBondContact O-N 3.37Å; L51-N80 HydrophobicContact CD1-CB 3.96Å; L51-N80 VanDerWaalsContact CD1-O 3.3Å; L51-N80 WeakPolarHBondContact CD1-O 3.47Å; L51-L82 HydrophobicContact CB-CB 4.32Å; L51-L82 HydrophobicContact CD1-CB 4.37Å; L51-L82 HydrophobicContact CD2-CB 4.12Å; L51-L82 HydrophobicContact CD2-CD2 4.35Å
52	D	89.4	Confident	83.5	Confident	61 Å²	61	69.9 Å²	69.9	33%	0.326	34%	0.344	S	S	.	.	H	α-helix	trans	-67.7	-38	175.1	-82	-0.3	0	0	0	111.3	N49 N50 F56	N49-D52 HydrophobicContact CB-CB 4.24Å; N49-D52 PolarHBondContact ND2-OD2 2.88Å; N49-D52 PolarHBondContact O-N 2.96Å; N49-D52 PolarHBondContact OD1-OD2 3.02Å; N50-D52 VanDerWaalsContact C-N 3.34Å; N50-D52 PolarHBondContact O-N 3.03Å; D52-F56 WeakPolarHBondContact O-CB 3.36Å; D52-F56 PolarHBondContact O-N 3.24Å
53	K	91.4	Very high	84.5	Confident	67 Å²	67	71.9 Å²	71.9	29%	0.291	37%	0.371	S	S	.	.	H	α-helix	trans	-66	-43.2	173.1	171.8	-170.5	162.1	-156.4	0	111.2	N49 N50 L51 F56 I57 S154 A156	N49-K53 PolarHBondContact O-N 3.24Å; N50-K53 WeakPolarHBondContact O-CB 3.46Å; N50-K53 PolarHBondContact O-N 3.41Å; L51-K53 VanDerWaalsContact C-N 3.34Å; K53-F56 WeakPolarHBondContact O-CB 3.46Å; K53-F56 PolarHBondContact O-N 2.88Å; K53-I57 HydrophobicContact CG-CD1 4.1Å; K53-I57 WeakPolarHBondContact O-CG1 3.48Å; K53-I57 PolarHBondContact O-N 3.01Å; K53-S154 PolarHBondContact NZ-O 2.86Å; K53-A156 WeakPolarHBondContact CE-O 3.46Å; K53-A156 PolarHBondContact NZ-O 3.1Å
54	E	94.6	Very high	85.5	Confident	8 Å²	8	69.9 Å²	69.9	4%	0.037	36%	0.362	C	S	.	.	H	α-helix	trans	-63.9	-43.9	176.5	-67.7	-173.9	-111.8	0	0	111.3	N50 L51 F56 I57 L58 L82 F153 S154	N50-E54 WeakPolarHBondContact O-CG 3.26Å; N50-E54 PolarHBondContact O-N 3.47Å; L51-E54 PolarHBondContact O-N 3.22Å; E54-F56 VanDerWaalsContact C-N 3.29Å; E54-F56 PolarHBondContact O-N 3.42Å; E54-I57 PolarHBondContact O-N 2.85Å; E54-L58 WeakPolarHBondContact O-CG 3.35Å; E54-L58 PolarHBondContact O-N 2.85Å; E54-L82 HydrophobicContact CB-CD2 3.84Å; E54-F153 HydrophobicContact CB-CB 4.47Å; E54-F153 HydrophobicContact CG-CB 3.97Å; E54-F153 PolarHBondContact OE2-N 3.33Å; E54-F153 VanDerWaalsContact OE2-N 3.15Å; E54-S154 VanDerWaalsContact CD-CA 3.45Å; E54-S154 VanDerWaalsContact CD-N 3.33Å; E54-S154 WeakPolarHBondContact OE1-CA 3.47Å; E54-S154 VanDerWaalsContact OE1-CB 3.31Å; E54-S154 WeakPolarHBondContact OE1-CB 3.17Å; E54-S154 PolarHBondContact OE2-N 2.87Å
55	A	93.7	Very high	86.6	Confident	3 Å²	3	73.3 Å²	73.3	3%	0.025	38%	0.382	C	S	.	.	H	α-helix	trans	-56.7	-43.2	171.9	0	0	0	0	0	112	L51 L58 R59 F70 C73 L82	L51-A55 VanDerWaalsContact O-CB 3.29Å; L51-A55 WeakPolarHBondContact O-CB 3.34Å; L51-A55 PolarHBondContact O-N 3.37Å; A55-L58 PolarHBondContact O-N 2.55Å; A55-R59 WeakPolarHBondContact O-CB 3.23Å; A55-R59 VanDerWaalsContact O-CG 3.26Å; A55-R59 WeakPolarHBondContact O-CG 3.38Å; A55-R59 PolarHBondContact O-N 3.49Å; A55-F70 HydrophobicContact CB-CD2 4.16Å; A55-F70 HydrophobicContact CB-CE2 3.65Å; A55-C73 HydrophobicContact CB-CB 3.87Å; A55-C73 VanDerWaalsContact CB-SG 3.52Å; A55-L82 HydrophobicContact CB-CD1 3.97Å
56	F	95.1	Very high	87.9	Confident	104 Å²	104	68 Å²	68	46%	0.456	36%	0.362	S	S	.	.	H	α-helix	trans	-61.5	-45.4	176.8	175.8	-107.7	0	0	0	112.1	D52 K53 E54 R59 R60 F127	D52-F56 WeakPolarHBondContact O-CB 3.36Å; D52-F56 PolarHBondContact O-N 3.24Å; K53-F56 WeakPolarHBondContact O-CB 3.46Å; K53-F56 PolarHBondContact O-N 2.88Å; E54-F56 VanDerWaalsContact C-N 3.29Å; E54-F56 PolarHBondContact O-N 3.42Å; F56-R59 PolarHBondContact O-N 3.31Å; F56-R60 PolarHBondContact O-N 3.29Å; F56-F127 HydrophobicContact CD1-CE1 4.38Å; F56-F127 AromaticContact CD1-CZ 3.96Å; F56-F127 HydrophobicContact CD1-CZ 3.96Å; F56-F127 HydrophobicContact CE1-CE1 4.23Å; F56-F127 AromaticContact CE1-CZ 3.62Å; F56-F127 HydrophobicContact CE1-CZ 3.62Å
57	I	96.5	Very high	89.4	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-64.2	-47.5	178	-67.3	166.4	0	0	0	110.7	K53 E54 R59 R60 L61 F127 F153 A156	K53-I57 HydrophobicContact CG-CD1 4.1Å; K53-I57 WeakPolarHBondContact O-CG1 3.48Å; K53-I57 PolarHBondContact O-N 3.01Å; E54-I57 PolarHBondContact O-N 2.85Å; I57-R59 VanDerWaalsContact C-N 3.32Å; I57-R59 PolarHBondContact O-N 3.03Å; I57-R60 WeakPolarHBondContact O-CA 3.44Å; I57-R60 WeakPolarHBondContact O-CB 3.49Å; I57-R60 PolarHBondContact O-N 3.48Å; I57-L61 HydrophobicContact CG2-CD1 3.6Å; I57-L61 HydrophobicContact CG2-CG 4.37Å; I57-L61 WeakPolarHBondContact O-CG 3.16Å; I57-L61 PolarHBondContact O-N 3.02Å; I57-F127 HydrophobicContact CD1-CD1 4Å; I57-F127 HydrophobicContact CD1-CE1 4.09Å; I57-F127 HydrophobicContact CG1-CD1 3.88Å; I57-F127 HydrophobicContact CG1-CE1 3.59Å; I57-F127 HydrophobicContact CG1-CE2 4.32Å; I57-F127 HydrophobicContact CG1-CG 4.35Å; I57-F127 HydrophobicContact CG1-CZ 3.83Å; I57-F153 HydrophobicContact CD1-CB 4.05Å; I57-F153 HydrophobicContact CG2-CB 4.34Å; I57-F153 HydrophobicContact CG2-CD1 3.58Å; I57-F153 HydrophobicContact CG2-CE1 3.91Å; I57-F153 HydrophobicContact CG2-CG 3.93Å; I57-A156 HydrophobicContact CD1-CB 3.75Å
58	L	96.7	Very high	91.2	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-58.9	-42.4	178.2	-70.6	171.6	0	0	0	111.9	E54 A55 R60 L61 A62 F70 L82 M84 F153	E54-L58 WeakPolarHBondContact O-CG 3.35Å; E54-L58 PolarHBondContact O-N 2.85Å; A55-L58 PolarHBondContact O-N 2.55Å; L58-R60 VanDerWaalsContact C-N 3.31Å; L58-R60 PolarHBondContact O-N 2.72Å; L58-L61 CarbonylContact O-C 3.49Å; L58-L61 PolarHBondContact O-N 3.33Å; L58-A62 PolarHBondContact O-N 2.89Å; L58-A62 VanDerWaalsContact O-N 3.16Å; L58-F70 HydrophobicContact CB-CB 3.99Å; L58-F70 HydrophobicContact CB-CD2 4.47Å; L58-L82 HydrophobicContact CD1-CD1 4.32Å; L58-L82 HydrophobicContact CD1-CD2 4.03Å; L58-M84 HydrophobicContact CD1-CE 3.85Å; L58-M84 HydrophobicContact CD1-SD 4.38Å; L58-F153 HydrophobicContact CD2-CD2 4.04Å; L58-F153 HydrophobicContact CD2-CE2 3.61Å; L58-F153 HydrophobicContact CD2-CZ 4.49Å; L58-F153 HydrophobicContact CG-CD2 4.43Å; L58-F153 HydrophobicContact CG-CE2 4.45Å
59	R	96.3	Very high	92.8	Very high	146 Å²	146	52.3 Å²	52.3	55%	0.551	28%	0.279	S	S	*	.	H	α-helix	trans	-62.9	-37.3	174.4	-72.6	175.3	-173.2	-85.3	13.3	112.3	A55 F56 I57 L61 A62 F70	A55-R59 WeakPolarHBondContact O-CB 3.23Å; A55-R59 VanDerWaalsContact O-CG 3.26Å; A55-R59 WeakPolarHBondContact O-CG 3.38Å; A55-R59 PolarHBondContact O-N 3.49Å; F56-R59 PolarHBondContact O-N 3.31Å; I57-R59 VanDerWaalsContact C-N 3.32Å; I57-R59 PolarHBondContact O-N 3.03Å; R59-L61 VanDerWaalsContact C-N 3.28Å; R59-A62 WeakPolarHBondContact O-CB 3.19Å; R59-F70 HydrophobicContact CG-CB 4.45Å; R59-F70 HydrophobicContact CG-CD1 3.92Å; R59-F70 HydrophobicContact CG-CD2 4.38Å; R59-F70 HydrophobicContact CG-CE1 4.38Å; R59-F70 HydrophobicContact CG-CG 3.95Å; R59-F70 VanDerWaalsContact NH1-CE1 3.33Å
60	R	96.3	Very high	94	Very high	153 Å²	153	50.2 Å²	50.2	58%	0.577	27%	0.266	S	S	*	.	H	α-helix	trans	-68.5	-31.9	177.7	-165.7	70	175.7	105.2	2.5	112	F56 I57 L58 A125 F127	F56-R60 PolarHBondContact O-N 3.29Å; I57-R60 WeakPolarHBondContact O-CA 3.44Å; I57-R60 WeakPolarHBondContact O-CB 3.49Å; I57-R60 PolarHBondContact O-N 3.48Å; L58-R60 VanDerWaalsContact C-N 3.31Å; L58-R60 PolarHBondContact O-N 2.72Å; R60-A125 HydrophobicContact CG-CB 3.99Å; R60-F127 HydrophobicContact CB-CE2 4.45Å; R60-F127 HydrophobicContact CG-CE2 4.19Å
61	L	97.5	Very high	94.3	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.037	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	18.2	-178.9	-64.8	171.9	0	0	0	113.6	I57 L58 R59 A63 S64 T67 D121 I122 A125 F153	I57-L61 HydrophobicContact CG2-CD1 3.6Å; I57-L61 HydrophobicContact CG2-CG 4.37Å; I57-L61 WeakPolarHBondContact O-CG 3.16Å; I57-L61 PolarHBondContact O-N 3.02Å; L58-L61 CarbonylContact O-C 3.49Å; L58-L61 PolarHBondContact O-N 3.33Å; R59-L61 VanDerWaalsContact C-N 3.28Å; L61-A63 PolarHBondContact O-N 2.8Å; L61-S64 WeakPolarHBondContact O-CB 3.28Å; L61-S64 PolarHBondContact O-N 3.36Å; L61-T67 HydrophobicContact CB-CG2 3.72Å; L61-T67 HydrophobicContact CD1-CG2 3.84Å; L61-T67 HydrophobicContact CG-CG2 4.36Å; L61-T67 PolarHBondContact O-OG1 2.76Å; L61-D121 HydrophobicContact CD2-CB 4.28Å; L61-D121 VanDerWaalsContact CD2-O 3.32Å; L61-D121 WeakPolarHBondContact CD2-O 3.47Å; L61-I122 HydrophobicContact CD1-CG1 3.75Å; L61-A125 HydrophobicContact CD2-CB 3.57Å; L61-A125 HydrophobicContact CG-CB 4.33Å; L61-F153 HydrophobicContact CD1-CE1 3.89Å; L61-F153 HydrophobicContact CD1-CZ 4.06Å
62	A	96.2	Very high	94.2	Very high	77 Å²	77	53.4 Å²	53.4	64%	0.636	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-16.4	-177.1	0	0	0	0	0	114.7	L58 R59	L58-A62 PolarHBondContact O-N 2.89Å; L58-A62 VanDerWaalsContact O-N 3.16Å; R59-A62 WeakPolarHBondContact O-CB 3.19Å
63	A	96.4	Very high	94.1	Very high	103 Å²	103	52.1 Å²	52.1	85%	0.851	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-11.9	174.7	0	0	0	0	0	113.5	L61	L61-A63 PolarHBondContact O-N 2.8Å
64	S	97.7	Very high	93.8	Very high	16 Å²	16	49.8 Å²	49.8	11%	0.112	27%	0.269	C	S	.	.			trans	-74.5	137.7	178.8	179.3	0	0	0	0	110.3	L61 H66 T67 D121	L61-S64 WeakPolarHBondContact O-CB 3.28Å; L61-S64 PolarHBondContact O-N 3.36Å; S64-H66 PolarHBondContact O-N 2.68Å; S64-H66 PolarHBondContact OG-N 2.96Å; S64-H66 VanDerWaalsContact OG-N 3.16Å; S64-T67 PolarHBondContact O-OG1 3.24Å; S64-D121 WeakPolarHBondContact CB-OD2 3.18Å; S64-D121 PolarHBondContact OG-OD2 3.21Å
65	T	96.9	Very high	93.3	Very high	91 Å²	91	53.4 Å²	53.4	56%	0.558	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-11.4	173	47.8	0	0	0	0	113	I147	T65-I147 WeakPolarHBondContact O-CG2 3.46Å
66	H	98.3	Very high	92.6	Very high	9 Å²	9	55.7 Å²	55.7	4%	0.042	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	15.2	-173.1	-60.6	-66	0	0	0	113.4	S64 Q114 E117 A118 I148 Y149 V150	S64-H66 PolarHBondContact O-N 2.68Å; S64-H66 PolarHBondContact OG-N 2.96Å; S64-H66 VanDerWaalsContact OG-N 3.16Å; H66-Q114 PolarHBondContact CE1-OE1 3.37Å; H66-E117 IonicContact NE2-OE2 3.52Å; H66-A118 HydrophobicContact CB-CB 3.43Å; H66-A118 VanDerWaalsContact CB-CB 3.43Å; H66-I148 WeakPolarHBondContact CA-O 3.44Å; H66-I148 WeakPolarHBondContact CB-O 3.28Å; H66-I148 PolarHBondContact ND1-O 3.06Å; H66-Y149 CarbonylContact O-C 3.53Å; H66-Y149 VanDerWaalsContact O-CA 3.28Å; H66-Y149 WeakPolarHBondContact O-CA 3.45Å; H66-V150 PolarHBondContact O-N 2.94Å
67	T	96.9	Very high	91.8	Very high	5 Å²	5	60 Å²	60	3%	0.031	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-122.3	150.8	177.1	59.2	0	0	0	0	111.1	L61 S64 Y149 F153	L61-T67 HydrophobicContact CB-CG2 3.72Å; L61-T67 HydrophobicContact CD1-CG2 3.84Å; L61-T67 HydrophobicContact CG-CG2 4.36Å; L61-T67 PolarHBondContact O-OG1 2.76Å; S64-T67 PolarHBondContact O-OG1 3.24Å; T67-Y149 WeakPolarHBondContact O-CD1 3.18Å; T67-Y149 WeakPolarHBondContact O-CE1 3.21Å; T67-F153 HydrophobicContact CG2-CZ 4Å
68	C	94	Very high	91	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.014	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-70.8	136.6	177.3	-62.3	0	0	0	0	109.5	F70 M84 S85	C68-F70 PolarHBondContact O-N 2.77Å; C68-F70 VanDerWaalsContact O-N 3.1Å; C68-M84 HydrophobicContact CB-CB 4.04Å; C68-M84 HydrophobicContact CB-CG 4.13Å; C68-M84 HydrophobicContact CB-SD 3.8Å; C68-S85 WeakPolarHBondContact CA-OG 3.46Å
69	D	91.5	Very high	90.2	Very high	82 Å²	82	65.1 Å²	65.1	44%	0.439	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-59.9	119.5	173.8	-59.5	-48	0	0	0	109.5	M84 S85	D69-M84 CarbonylContact O-C 3.43Å; D69-M84 WeakPolarHBondContact O-CA 3.45Å; D69-M84 WeakPolarHBondContact O-CB 3.3Å; D69-S85 PolarHBondContact N-OG 3.39Å; D69-S85 PolarHBondContact O-N 3.25Å
70	F	90.5	Very high	89.5	Confident	40 Å²	40	59 Å²	59	18%	0.175	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	132.1	172.2	171.8	-86.5	0	0	0	109.7	A55 L58 R59 C68 E72 C73 L82	A55-F70 HydrophobicContact CB-CD2 4.16Å; A55-F70 HydrophobicContact CB-CE2 3.65Å; L58-F70 HydrophobicContact CB-CB 3.99Å; L58-F70 HydrophobicContact CB-CD2 4.47Å; R59-F70 HydrophobicContact CG-CB 4.45Å; R59-F70 HydrophobicContact CG-CD1 3.92Å; R59-F70 HydrophobicContact CG-CD2 4.38Å; R59-F70 HydrophobicContact CG-CE1 4.38Å; R59-F70 HydrophobicContact CG-CG 3.95Å; R59-F70 VanDerWaalsContact NH1-CE1 3.33Å; C68-F70 PolarHBondContact O-N 2.77Å; C68-F70 VanDerWaalsContact O-N 3.1Å; F70-E72 VanDerWaalsContact CZ-CA 3.44Å; F70-C73 HydrophobicContact CE2-CB 3.94Å; F70-C73 HydrophobicContact CZ-CB 4.22Å; F70-L82 HydrophobicContact CD2-CD1 3.79Å; F70-L82 HydrophobicContact CE2-CD1 3.64Å
71	M	87.2	Confident	88.9	Confident	61 Å²	61	53.2 Å²	53.2	30%	0.3	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	-58.4	175.7	-61.1	174.3	178	0	0	111.4	V37 P39 V83	V37-M71 HydrophobicContact CB-CE 3.69Å; V37-M71 HydrophobicContact CG1-CE 3.22Å; P39-M71 HydrophobicContact CB-SD 3.9Å; M71-V83 HydrophobicContact CB-CB 4.16Å; M71-V83 HydrophobicContact CB-CG1 3.95Å; M71-V83 WeakPolarHBondContact CB-O 3.18Å; M71-V83 HydrophobicContact CG-CG1 4.47Å; M71-V83 PolarHBondContact N-O 3.34Å; M71-V83 HydrophobicContact SD-CG1 3.81Å
72	E	85.6	Confident	88.4	Confident	83 Å²	83	52.9 Å²	52.9	39%	0.388	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	150.8	-174.3	-162.5	-174.1	142.3	0	0	110.9	F70 Y81 V83	F70-E72 VanDerWaalsContact CZ-CA 3.44Å; E72-Y81 HydrophobicContact CG-CE2 4.28Å; E72-Y81 PolarHBondContact OE1-OH 3.2Å; E72-V83 HydrophobicContact CB-CB 4.18Å; E72-V83 HydrophobicContact CB-CG2 4.19Å; E72-V83 PolarHBondContact N-O 3.02Å; E72-V83 WeakPolarHBondContact O-CA 3.42Å; E72-V83 WeakPolarHBondContact O-CB 3.47Å; E72-V83 PolarHBondContact O-N 3.23Å
73	C	86.9	Confident	87.9	Confident	35 Å²	35	49.2 Å²	49.2	24%	0.236	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	154.4	164.1	64.9	0	0	0	0	109	A55 F70 Y81 L82	A55-C73 HydrophobicContact CB-CB 3.87Å; A55-C73 VanDerWaalsContact CB-SG 3.52Å; F70-C73 HydrophobicContact CE2-CB 3.94Å; F70-C73 HydrophobicContact CZ-CB 4.22Å; C73-Y81 VanDerWaalsContact CA-O 3.23Å; C73-Y81 WeakPolarHBondContact CA-O 3.18Å; C73-Y81 WeakPolarHBondContact CB-O 3.37Å; C73-L82 HydrophobicContact CB-CD1 3.99Å
74	G	85.7	Confident	87.5	Confident	17 Å²	17	44.6 Å²	44.6	18%	0.175	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.2	-170.6	-179.3	0	0	0	0	0	113.3	N80 Y81	G74-N80 WeakPolarHBondContact O-CA 3.39Å; G74-Y81 PolarHBondContact N-O 3.24Å; G74-Y81 VanDerWaalsContact O-CD1 3.27Å; G74-Y81 WeakPolarHBondContact O-CD1 3.48Å; G74-Y81 PolarHBondContact O-N 3.25Å
75	V	83.8	Confident	87.1	Confident	84 Å²	84	44.4 Å²	44.4	51%	0.509	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120	-179.7	-169	0	0	0	0	109.5	I79 N80	V75-I79 WeakPolarHBondContact CA-O 3.29Å; V75-N80 WeakPolarHBondContact CG2-OD1 3.46Å
76	D	77.8	Confident	86.7	Confident	52 Å²	52	42 Å²	42	28%	0.278	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	99.1	168.7	177.1	36	0	0	0	110.3	R23 T78 I79 Y81	R23-D76 WeakPolarHBondContact CD-OD2 3.12Å; R23-D76 IonicContact CZ-OD2 3.7Å; R23-D76 IonicContact NE-OD2 3.14Å; R23-D76 PolarHBondContact NH1-O 2.96Å; R23-D76 IonicContact NH1-OD1 3.29Å; R23-D76 IonicContact NH1-OD2 3.93Å; R23-D76 PolarHBondContact NH1-OD2 3.37Å; D76-T78 VanDerWaalsContact C-N 3.27Å; D76-T78 PolarHBondContact O-N 3.03Å; D76-I79 PolarHBondContact N-O 3.46Å; D76-I79 PolarHBondContact O-N 3.03Å; D76-I79 VanDerWaalsContact O-N 3.12Å; D76-Y81 HydrophobicContact CB-CD1 4.47Å; D76-Y81 HydrophobicContact CB-CE1 4.43Å
77	R	79.9	Confident	86.5	Confident	193 Å²	193	42.6 Å²	42.6	73%	0.728	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	-75.3	-172.8	-46.3	-169.6	-168.3	176.2	-6.8	113.6	R23	R23-R77 VanDerWaalsContact NH2-CD 3.34Å
78	T	79.9	Confident	86.3	Confident	100 Å²	100	43.3 Å²	43.3	61%	0.613	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-135.5	6.7	-176	64.6	0	0	0	0	112	D76	D76-T78 VanDerWaalsContact C-N 3.27Å; D76-T78 PolarHBondContact O-N 3.03Å
79	I	79.1	Confident	86.4	Confident	12 Å²	12	44.9 Å²	44.9	6%	0.062	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	114.5	-175.2	-54.4	179	0	0	0	107	L20 L43 Y45 V75 D76	L20-I79 HydrophobicContact CD2-CD1 3.99Å; L43-I79 HydrophobicContact CB-CG2 4.14Å; L43-I79 HydrophobicContact CD2-CG2 3.9Å; Y45-I79 HydrophobicContact CD1-CG1 4Å; Y45-I79 HydrophobicContact CE1-CD1 3.63Å; Y45-I79 HydrophobicContact CE1-CG1 3.61Å; V75-I79 WeakPolarHBondContact CA-O 3.29Å; D76-I79 PolarHBondContact N-O 3.46Å; D76-I79 PolarHBondContact O-N 3.03Å; D76-I79 VanDerWaalsContact O-N 3.12Å
80	N	81.8	Confident	86.6	Confident	16 Å²	16	42.1 Å²	42.1	9%	0.086	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	135.6	168.8	-59.9	-45.5	0	0	0	107.7	L43 S44 N46 L51 G74 V75	L43-N80 WeakPolarHBondContact CA-O 3.17Å; S44-N80 PolarHBondContact N-O 3.04Å; S44-N80 PolarHBondContact O-N 3.41Å; N46-N80 PolarHBondContact O-ND2 3.2Å; L51-N80 HydrophobicContact CD1-CB 3.96Å; L51-N80 VanDerWaalsContact CD1-O 3.3Å; L51-N80 WeakPolarHBondContact CD1-O 3.47Å; G74-N80 WeakPolarHBondContact O-CA 3.39Å; V75-N80 WeakPolarHBondContact CG2-OD1 3.46Å
81	Y	83.8	Confident	87	Confident	32 Å²	32	40.4 Å²	40.4	13%	0.125	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147.5	177	68.2	-93.7	0	0	0	111.7	I27 E42 E72 C73 G74 D76 V83	I27-Y81 HydrophobicContact CD1-CD1 4.35Å; I27-Y81 HydrophobicContact CD1-CG 4.37Å; E42-Y81 VanDerWaalsContact O-CA 3.25Å; E42-Y81 WeakPolarHBondContact O-CA 3.38Å; E72-Y81 HydrophobicContact CG-CE2 4.28Å; E72-Y81 PolarHBondContact OE1-OH 3.2Å; C73-Y81 VanDerWaalsContact CA-O 3.23Å; C73-Y81 WeakPolarHBondContact CA-O 3.18Å; C73-Y81 WeakPolarHBondContact CB-O 3.37Å; G74-Y81 PolarHBondContact N-O 3.24Å; G74-Y81 VanDerWaalsContact O-CD1 3.27Å; G74-Y81 WeakPolarHBondContact O-CD1 3.48Å; G74-Y81 PolarHBondContact O-N 3.25Å; D76-Y81 HydrophobicContact CB-CD1 4.47Å; D76-Y81 HydrophobicContact CB-CE1 4.43Å; Y81-V83 HydrophobicContact CD2-CG2 3.81Å; Y81-V83 HydrophobicContact CE2-CG2 4.1Å
82	L	85.5	Confident	87.5	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.3	172.3	173.6	59	0	0	0	108.6	V41 E42 L51 E54 A55 L58 F70 C73 M84	V41-L82 WeakPolarHBondContact CA-O 3.39Å; E42-L82 HydrophobicContact CB-CB 4.47Å; E42-L82 PolarHBondContact N-O 3.32Å; E42-L82 PolarHBondContact O-N 3.12Å; E42-L82 VanDerWaalsContact O-N 3.07Å; L51-L82 HydrophobicContact CB-CB 4.32Å; L51-L82 HydrophobicContact CD1-CB 4.37Å; L51-L82 HydrophobicContact CD2-CB 4.12Å; L51-L82 HydrophobicContact CD2-CD2 4.35Å; E54-L82 HydrophobicContact CB-CD2 3.84Å; A55-L82 HydrophobicContact CB-CD1 3.97Å; L58-L82 HydrophobicContact CD1-CD1 4.32Å; L58-L82 HydrophobicContact CD1-CD2 4.03Å; F70-L82 HydrophobicContact CD2-CD1 3.79Å; F70-L82 HydrophobicContact CE2-CD1 3.64Å; C73-L82 HydrophobicContact CB-CD1 3.99Å; L82-M84 HydrophobicContact CD2-CE 3.34Å; L82-M84 HydrophobicContact CG-CE 3.6Å
83	V	86.2	Confident	88	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.3	179.8	-168.9	0	0	0	0	108.5	I27 I31 P39 T40 V41 M71 E72 Y81	I27-V83 HydrophobicContact CG2-CG2 4.36Å; I31-V83 HydrophobicContact CD1-CB 4.35Å; I31-V83 HydrophobicContact CD1-CG1 3.43Å; I31-V83 VanDerWaalsContact CD1-CG1 3.43Å; I31-V83 HydrophobicContact CD1-CG2 3.96Å; I31-V83 HydrophobicContact CG1-CG1 4.17Å; P39-V83 HydrophobicContact CB-CG1 3.52Å; T40-V83 WeakPolarHBondContact O-CA 3.22Å; V41-V83 HydrophobicContact CG2-CG2 4.39Å; M71-V83 HydrophobicContact CB-CB 4.16Å; M71-V83 HydrophobicContact CB-CG1 3.95Å; M71-V83 WeakPolarHBondContact CB-O 3.18Å; M71-V83 HydrophobicContact CG-CG1 4.47Å; M71-V83 PolarHBondContact N-O 3.34Å; M71-V83 HydrophobicContact SD-CG1 3.81Å; E72-V83 HydrophobicContact CB-CB 4.18Å; E72-V83 HydrophobicContact CB-CG2 4.19Å; E72-V83 PolarHBondContact N-O 3.02Å; E72-V83 WeakPolarHBondContact O-CA 3.42Å; E72-V83 WeakPolarHBondContact O-CB 3.47Å; E72-V83 PolarHBondContact O-N 3.23Å; Y81-V83 HydrophobicContact CD2-CG2 3.81Å; Y81-V83 HydrophobicContact CE2-CG2 4.1Å
84	M	88.9	Confident	88.5	Confident	7 Å²	7	36.7 Å²	36.7	3%	0.034	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	168	179.6	65.1	-178.5	80.6	0	0	111	P39 T40 E42 L58 C68 D69 L82	P39-M84 CarbonylContact C-O 3.49Å; P39-M84 WeakPolarHBondContact CA-O 3.37Å; T40-M84 PolarHBondContact N-O 3.2Å; T40-M84 PolarHBondContact O-N 2.88Å; T40-M84 VanDerWaalsContact O-N 3.09Å; E42-M84 HydrophobicContact CG-CE 4.49Å; L58-M84 HydrophobicContact CD1-CE 3.85Å; L58-M84 HydrophobicContact CD1-SD 4.38Å; C68-M84 HydrophobicContact CB-CB 4.04Å; C68-M84 HydrophobicContact CB-CG 4.13Å; C68-M84 HydrophobicContact CB-SD 3.8Å; D69-M84 CarbonylContact O-C 3.43Å; D69-M84 WeakPolarHBondContact O-CA 3.45Å; D69-M84 WeakPolarHBondContact O-CB 3.3Å; L82-M84 HydrophobicContact CD2-CE 3.34Å; L82-M84 HydrophobicContact CG-CE 3.6Å
85	S	89.3	Confident	89	Confident	11 Å²	11	37.3 Å²	37.3	8%	0.077	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	141.7	174.1	61.7	0	0	0	0	112.6	C68 D69	C68-S85 WeakPolarHBondContact CA-OG 3.46Å; D69-S85 PolarHBondContact N-OG 3.39Å; D69-S85 PolarHBondContact O-N 3.25Å
86	L	89.2	Confident	89.5	Confident	41 Å²	41	40.8 Å²	40.8	22%	0.215	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-83.2	122.1	175.8	178.4	61.6	0	0	0	111.6	I38 T40 R141	I38-L86 HydrophobicContact CB-CB 4.31Å; I38-L86 HydrophobicContact CB-CD2 4.14Å; I38-L86 HydrophobicContact CG2-CB 4.26Å; I38-L86 HydrophobicContact CG2-CD2 3.46Å; I38-L86 VanDerWaalsContact CG2-CD2 3.46Å; I38-L86 WeakPolarHBondContact O-CB 3.44Å; I38-L86 PolarHBondContact O-N 3.12Å; T40-L86 VanDerWaalsContact OG1-CA 3.31Å; T40-L86 WeakPolarHBondContact OG1-CA 3.38Å; T40-L86 WeakPolarHBondContact OG1-CD1 3.34Å; L86-R141 WeakPolarHBondContact O-CD 3.3Å
87	V	92.1	Very high	90.3	Very high	21 Å²	21	47.3 Å²	47.3	13%	0.127	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-98.2	172.4	172.5	-60.8	0	0	0	0	111.8	A138 Y149 V151	V87-A138 HydrophobicContact CB-CB 4.45Å; V87-A138 HydrophobicContact CG2-CB 3.77Å; V87-Y149 HydrophobicContact CB-CD2 4.44Å; V87-Y149 HydrophobicContact CG1-CD1 4.03Å; V87-Y149 HydrophobicContact CG1-CD2 3.75Å; V87-Y149 HydrophobicContact CG1-CE2 4.31Å; V87-Y149 HydrophobicContact CG1-CG 3.6Å; V87-V151 HydrophobicContact CG2-CG1 3.61Å
88	G	94.1	Very high	90.9	Very high	21 Å²	21	40.6 Å²	40.6	22%	0.216	20%	0.204	C	C	.	.			trans	-76.1	-163	177.2	0	0	0	0	0	113.2	I139	G88-I139 WeakPolarHBondContact CA-O 3.31Å; G88-I139 PolarHBondContact N-O 3.38Å
89	P	95.3	Very high	91.3	Very high	34 Å²	34	44.1 Å²	44.1	22%	0.221	21%	0.21	C	C	.	.			trans	-67.6	147.2	178.2	28.3	-34.1	0	0	0	112.1	Q93 I94 I139	P89-Q93 HydrophobicContact CB-CB 4.07Å; P89-I94 HydrophobicContact CB-CG1 4.05Å; P89-I94 HydrophobicContact CG-CD1 4.11Å; P89-I94 HydrophobicContact CG-CG1 3.76Å; P89-I139 HydrophobicContact CG-CD1 4.13Å; P89-I139 HydrophobicContact CG-CG1 4.17Å; P89-I139 PolarHBondContact O-N 3.36Å
90	D	97.2	Very high	91.9	Very high	25 Å²	25	49.3 Å²	49.3	13%	0.134	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-68.6	160	171.1	64.1	69.2	0	0	0	112.4	A92 Q93 I94 F137 A138	D90-A92 PolarHBondContact O-N 3.39Å; D90-A92 WeakPolarHBondContact OD1-CA 3.36Å; D90-A92 WeakPolarHBondContact OD1-CB 3.35Å; D90-A92 PolarHBondContact OD1-N 3.1Å; D90-Q93 WeakPolarHBondContact O-CB 3.39Å; D90-Q93 PolarHBondContact O-N 3.06Å; D90-Q93 VanDerWaalsContact O-N 3.12Å; D90-Q93 WeakPolarHBondContact OD1-CG 3.39Å; D90-Q93 PolarHBondContact OD1-N 3.22Å; D90-Q93 VanDerWaalsContact OD2-CG 3.22Å; D90-Q93 WeakPolarHBondContact OD2-CG 3.49Å; D90-Q93 PolarHBondContact OD2-NE2 3.08Å; D90-I94 WeakPolarHBondContact O-CG1 3.39Å; D90-I94 PolarHBondContact O-N 3.09Å; D90-F137 CarbonylContact C-O 3.39Å; D90-F137 VanDerWaalsContact CA-O 3.3Å; D90-F137 WeakPolarHBondContact CA-O 3.46Å; D90-A138 HydrophobicContact CB-CB 4.23Å
91	L	98.2	Very high	92.5	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-60.2	-30.4	-178.9	-65.2	178.8	0	0	0	111.7	I94 R95 I111 P134 F137 L207	L91-I94 HydrophobicContact CD2-CD1 4.39Å; L91-R95 WeakPolarHBondContact O-CB 3.47Å; L91-R95 PolarHBondContact O-N 2.79Å; L91-I111 HydrophobicContact CD1-CD1 4.37Å; L91-I111 HydrophobicContact CD1-CG2 3.65Å; L91-I111 HydrophobicContact CD2-CD1 3.96Å; L91-I111 HydrophobicContact CD2-CG1 4.27Å; L91-P134 HydrophobicContact CB-CB 3.91Å; L91-P134 WeakPolarHBondContact CB-O 3.39Å; L91-P134 PolarHBondContact N-O 3.3Å; L91-P134 VanDerWaalsContact N-O 3.13Å; L91-F137 HydrophobicContact CD1-CB 3.78Å; L91-F137 HydrophobicContact CG-CB 4.14Å; L91-F137 WeakPolarHBondContact CG-O 3.33Å; L91-F137 PolarHBondContact N-O 3.19Å; L91-L207 HydrophobicContact CD1-CD1 4.27Å
92	A	97.6	Very high	93.1	Very high	9 Å²	9	58.2 Å²	58.2	7%	0.074	27%	0.274	C	S	.	.	H	α-helix	trans	-68.4	-42.2	176.5	0	0	0	0	0	111.7	D90 R95 K96 P134 E135	D90-A92 PolarHBondContact O-N 3.39Å; D90-A92 WeakPolarHBondContact OD1-CA 3.36Å; D90-A92 WeakPolarHBondContact OD1-CB 3.35Å; D90-A92 PolarHBondContact OD1-N 3.1Å; A92-R95 PolarHBondContact O-N 2.76Å; A92-K96 WeakPolarHBondContact O-CG 3.28Å; A92-K96 PolarHBondContact O-N 2.98Å; A92-K96 VanDerWaalsContact O-N 3.1Å; A92-P134 HydrophobicContact CB-CB 3.89Å; A92-P134 PolarHBondContact N-O 2.89Å; A92-E135 HydrophobicContact CB-CG 3.77Å
93	Q	96.8	Very high	93.6	Very high	53 Å²	53	59.1 Å²	59.1	25%	0.248	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-42.9	174.5	-74	174.5	16.4	0	0	111.8	P89 D90 K96	P89-Q93 HydrophobicContact CB-CB 4.07Å; D90-Q93 WeakPolarHBondContact O-CB 3.39Å; D90-Q93 PolarHBondContact O-N 3.06Å; D90-Q93 VanDerWaalsContact O-N 3.12Å; D90-Q93 WeakPolarHBondContact OD1-CG 3.39Å; D90-Q93 PolarHBondContact OD1-N 3.22Å; D90-Q93 VanDerWaalsContact OD2-CG 3.22Å; D90-Q93 WeakPolarHBondContact OD2-CG 3.49Å; D90-Q93 PolarHBondContact OD2-NE2 3.08Å; Q93-K96 PolarHBondContact O-N 3.3Å
94	I	96.6	Very high	94.1	Very high	39 Å²	39	63.9 Å²	63.9	20%	0.2	30%	0.304	C	S	.	.	H	α-helix	trans	-62.9	-46.7	175.7	-62.7	165.3	0	0	0	109.5	P89 D90 L91 K96 R97 V98 F103 I139	P89-I94 HydrophobicContact CB-CG1 4.05Å; P89-I94 HydrophobicContact CG-CD1 4.11Å; P89-I94 HydrophobicContact CG-CG1 3.76Å; D90-I94 WeakPolarHBondContact O-CG1 3.39Å; D90-I94 PolarHBondContact O-N 3.09Å; L91-I94 HydrophobicContact CD2-CD1 4.39Å; I94-K96 VanDerWaalsContact C-N 3.26Å; I94-K96 PolarHBondContact O-N 2.63Å; I94-R97 WeakPolarHBondContact O-CB 3.26Å; I94-R97 PolarHBondContact O-N 3.12Å; I94-V98 PolarHBondContact O-N 3.32Å; I94-F103 HydrophobicContact CB-CZ 4.23Å; I94-F103 HydrophobicContact CG2-CE1 3.92Å; I94-F103 HydrophobicContact CG2-CZ 3.87Å; I94-I139 HydrophobicContact CD1-CB 4.48Å; I94-I139 HydrophobicContact CD1-CD1 3.81Å; I94-I139 HydrophobicContact CD1-CG1 3.96Å; I94-I139 HydrophobicContact CD1-CG2 3.78Å
95	R	95.9	Very high	94.4	Very high	30 Å²	30	65.9 Å²	65.9	11%	0.113	31%	0.314	C	S	.	.	H	α-helix	trans	-57.7	-35.5	179.1	176.4	175.7	162.6	-170.3	2.2	113	L91 A92 R97 V98 K101 F103 D206	L91-R95 WeakPolarHBondContact O-CB 3.47Å; L91-R95 PolarHBondContact O-N 2.79Å; A92-R95 PolarHBondContact O-N 2.76Å; R95-R97 PolarHBondContact O-N 3.22Å; R95-V98 WeakPolarHBondContact O-CG2 3.44Å; R95-V98 PolarHBondContact O-N 2.85Å; R95-K101 HydrophobicContact CG-CB 4.16Å; R95-K101 VanDerWaalsContact CG-O 3.28Å; R95-K101 WeakPolarHBondContact CG-O 3.46Å; R95-K101 PolarHBondContact NE-O 3.48Å; R95-F103 HydrophobicContact CB-CE1 4.22Å; R95-F103 HydrophobicContact CB-CE2 4.42Å; R95-F103 HydrophobicContact CB-CZ 3.77Å; R95-D206 IonicContact CZ-OD1 3.21Å; R95-D206 IonicContact CZ-OD2 3.8Å; R95-D206 VanDerWaalsContact NH1-CG 3.34Å; R95-D206 IonicContact NH1-OD1 3.59Å; R95-D206 IonicContact NH1-OD2 2.77Å; R95-D206 PolarHBondContact NH1-OD2 2.91Å; R95-D206 IonicContact NH2-OD1 3.5Å; R95-D206 PolarHBondContact NH2-OD1 3.39Å; R95-D206 IonicContact NH2-OD2 3.89Å; R95-D206 PolarHBondContact NH2-OD2 3.04Å
96	K	95.5	Very high	94.7	Very high	156 Å²	156	67.3 Å²	67.3	68%	0.678	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.9	176.4	-74.7	169.9	-174.7	172.1	0	113.5	A92 Q93 I94	A92-K96 WeakPolarHBondContact O-CG 3.28Å; A92-K96 PolarHBondContact O-N 2.98Å; A92-K96 VanDerWaalsContact O-N 3.1Å; Q93-K96 PolarHBondContact O-N 3.3Å; I94-K96 VanDerWaalsContact C-N 3.26Å; I94-K96 PolarHBondContact O-N 2.63Å
97	R	94.4	Very high	95	Very high	190 Å²	190	68 Å²	68	72%	0.717	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-16.7	-174.9	-59.6	174.2	-173.2	179.2	2.5	113.5	I94 R95	I94-R97 WeakPolarHBondContact O-CB 3.26Å; I94-R97 PolarHBondContact O-N 3.12Å; R95-R97 PolarHBondContact O-N 3.22Å
98	V	92.7	Very high	95.3	Very high	52 Å²	52	67 Å²	67	32%	0.315	33%	0.331	S	S	.	.	S	Bend	trans	-87.3	151.9	-180	-59.1	0	0	0	0	111.5	I94 R95 K101 R102 F103	I94-V98 PolarHBondContact O-N 3.32Å; R95-V98 WeakPolarHBondContact O-CG2 3.44Å; R95-V98 PolarHBondContact O-N 2.85Å; V98-K101 PolarHBondContact O-N 3.27Å; V98-R102 WeakPolarHBondContact CG2-O 3.5Å; V98-F103 HydrophobicContact CB-CE1 4.48Å; V98-F103 HydrophobicContact CG1-CD1 4.26Å; V98-F103 HydrophobicContact CG1-CE1 3.93Å; V98-F103 HydrophobicContact CG2-CD1 3.88Å; V98-F103 HydrophobicContact CG2-CE1 3.74Å
99	K	87.6	Confident	95.4	Very high	173 Å²	173	69.2 Å²	69.2	75%	0.752	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-56.3	138.9	177.1	-168.2	-173.6	171.6	-175.8	0	110.3	K101 R102	K99-K101 PolarHBondContact O-N 2.86Å; K99-R102 PolarHBondContact O-N 3.13Å
100	D	91.5	Very high	95.4	Very high	122 Å²	122	76.6 Å²	76.6	65%	0.652	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	58.3	7.6	179.8	-50.9	-41.2	0	0	0	115.1	R102	D100-R102 WeakPolarHBondContact O-CG 3.5Å; D100-R102 PolarHBondContact O-N 3.18Å
101	K	94.2	Very high	95.5	Very high	131 Å²	131	76 Å²	76	57%	0.57	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	55.6	34.9	-176.8	-54.7	177.2	-178	174.7	0	113.2	R95 V98 K99	R95-K101 HydrophobicContact CG-CB 4.16Å; R95-K101 VanDerWaalsContact CG-O 3.28Å; R95-K101 WeakPolarHBondContact CG-O 3.46Å; R95-K101 PolarHBondContact NE-O 3.48Å; V98-K101 PolarHBondContact O-N 3.27Å; K99-K101 PolarHBondContact O-N 2.86Å
102	R	96.5	Very high	95.5	Very high	103 Å²	103	76.2 Å²	76.2	39%	0.389	36%	0.36	S	S	.	.			trans	-128.2	144.6	-178.6	-67.5	172	65.2	-177.1	3.9	110.7	V98 K99 D100 Y208 L209	V98-R102 WeakPolarHBondContact CG2-O 3.5Å; K99-R102 PolarHBondContact O-N 3.13Å; D100-R102 WeakPolarHBondContact O-CG 3.5Å; D100-R102 PolarHBondContact O-N 3.18Å; R102-Y208 VanDerWaalsContact CZ-O 3.29Å; R102-Y208 PolarHBondContact NE-O 2.86Å; R102-Y208 PolarHBondContact NH2-O 3.17Å; R102-L209 WeakPolarHBondContact CD-O 3.26Å; R102-L209 PolarHBondContact NE-O 3.12Å
103	F	97	Very high	95.4	Very high	19 Å²	19	80.4 Å²	80.4	8%	0.083	38%	0.381	C	S	.	.			trans	-95	153	167.5	-60.2	-34.5	0	0	0	110.1	I94 R95 V98 T107 V108 I111 L207	I94-F103 HydrophobicContact CB-CZ 4.23Å; I94-F103 HydrophobicContact CG2-CE1 3.92Å; I94-F103 HydrophobicContact CG2-CZ 3.87Å; R95-F103 HydrophobicContact CB-CE1 4.22Å; R95-F103 HydrophobicContact CB-CE2 4.42Å; R95-F103 HydrophobicContact CB-CZ 3.77Å; V98-F103 HydrophobicContact CB-CE1 4.48Å; V98-F103 HydrophobicContact CG1-CD1 4.26Å; V98-F103 HydrophobicContact CG1-CE1 3.93Å; V98-F103 HydrophobicContact CG2-CD1 3.88Å; V98-F103 HydrophobicContact CG2-CE1 3.74Å; F103-T107 HydrophobicContact CB-CG2 4.14Å; F103-T107 HydrophobicContact CD2-CG2 4.49Å; F103-T107 HydrophobicContact CG-CG2 4.25Å; F103-V108 HydrophobicContact CB-CG2 3.65Å; F103-I111 HydrophobicContact CD2-CD1 3.73Å; F103-I111 HydrophobicContact CE2-CD1 3.91Å; F103-L207 HydrophobicContact CD2-CB 4.06Å; F103-L207 HydrophobicContact CD2-CD1 4.33Å; F103-L207 HydrophobicContact CD2-CD2 4.06Å; F103-L207 HydrophobicContact CD2-CG 4.37Å; F103-L207 HydrophobicContact CE2-CD1 4.34Å; F103-L207 HydrophobicContact CE2-CD2 3.77Å; F103-L207 HydrophobicContact CE2-CG 4.46Å; F103-L207 PolarHBondContact N-O 2.96Å
104	N	95.6	Very high	95.5	Very high	101 Å²	101	79.6 Å²	79.6	54%	0.54	38%	0.377	S	S	.	.			trans	-70.1	159.3	170.3	69.8	65.2	0	0	0	110.2	G106 T107 V108	N104-G106 VanDerWaalsContact C-N 3.32Å; N104-G106 PolarHBondContact O-N 3.3Å; N104-G106 PolarHBondContact OD1-N 3.27Å; N104-G106 VanDerWaalsContact OD1-N 3.08Å; N104-T107 PolarHBondContact ND2-OG1 2.88Å; N104-T107 PolarHBondContact O-N 3.47Å; N104-T107 PolarHBondContact OD1-N 3.45Å; N104-T107 PolarHBondContact OD1-OG1 3.35Å; N104-V108 WeakPolarHBondContact O-CG2 3.46Å; N104-V108 PolarHBondContact O-N 3.47Å
105	L	95.5	Very high	95.6	Very high	48 Å²	48	77.8 Å²	77.8	25%	0.251	37%	0.368	S	S	.	.	H	α-helix	trans	-57.2	-42.4	-175.9	-177.2	61.9	0	0	0	112.7	T107 V108 L109 Y208 M239 P240	L105-T107 VanDerWaalsContact C-N 3.34Å; L105-T107 PolarHBondContact O-N 2.82Å; L105-V108 PolarHBondContact O-N 2.88Å; L105-L109 HydrophobicContact CD1-CD1 4.22Å; L105-L109 HydrophobicContact CD1-CD2 4.4Å; L105-L109 HydrophobicContact CD1-CG 4.07Å; L105-L109 HydrophobicContact CG-CD1 3.97Å; L105-L109 HydrophobicContact CG-CG 4.25Å; L105-L109 VanDerWaalsContact O-CG 3.31Å; L105-L109 WeakPolarHBondContact O-CG 3.37Å; L105-L109 PolarHBondContact O-N 3.41Å; L105-Y208 HydrophobicContact CB-CD2 4.17Å; L105-Y208 HydrophobicContact CB-CE2 3.76Å; L105-Y208 HydrophobicContact CD1-CD2 4.41Å; L105-Y208 HydrophobicContact CD1-CE2 4.42Å; L105-M239 HydrophobicContact CD1-CE 3.89Å; L105-M239 HydrophobicContact CD1-CG 4.16Å; L105-P240 HydrophobicContact CD2-CG 4.14Å
106	G	95	Very high	95.8	Very high	41 Å²	41	77.8 Å²	77.8	42%	0.423	37%	0.374	S	S	.	.	H	α-helix	trans	-61.2	-40.3	180	0	0	0	0	0	113.1	N104 R110	N104-G106 VanDerWaalsContact C-N 3.32Å; N104-G106 PolarHBondContact O-N 3.3Å; N104-G106 PolarHBondContact OD1-N 3.27Å; N104-G106 VanDerWaalsContact OD1-N 3.08Å; G106-R110 WeakPolarHBondContact O-CG 3.19Å; G106-R110 PolarHBondContact O-N 2.93Å
107	T	96	Very high	95.9	Very high	57 Å²	57	74.9 Å²	74.9	35%	0.35	36%	0.363	S	S	.	.	H	α-helix	trans	-66	-44.5	173.6	-61.8	0	0	0	0	111.3	F103 N104 L105 L109 R110 I111	F103-T107 HydrophobicContact CB-CG2 4.14Å; F103-T107 HydrophobicContact CD2-CG2 4.49Å; F103-T107 HydrophobicContact CG-CG2 4.25Å; N104-T107 PolarHBondContact ND2-OG1 2.88Å; N104-T107 PolarHBondContact O-N 3.47Å; N104-T107 PolarHBondContact OD1-N 3.45Å; N104-T107 PolarHBondContact OD1-OG1 3.35Å; L105-T107 VanDerWaalsContact C-N 3.34Å; L105-T107 PolarHBondContact O-N 2.82Å; T107-L109 PolarHBondContact O-N 3.47Å; T107-R110 PolarHBondContact O-N 2.97Å; T107-I111 HydrophobicContact CG2-CD1 3.95Å; T107-I111 WeakPolarHBondContact O-CG1 3.35Å; T107-I111 PolarHBondContact O-N 3.06Å
108	V	97.9	Very high	96.1	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.1	-42.6	178.9	173.2	0	0	0	0	111.6	F103 N104 L105 R110 I111 G112 L204 L207 M239	F103-V108 HydrophobicContact CB-CG2 3.65Å; N104-V108 WeakPolarHBondContact O-CG2 3.46Å; N104-V108 PolarHBondContact O-N 3.47Å; L105-V108 PolarHBondContact O-N 2.88Å; V108-R110 PolarHBondContact O-N 3Å; V108-I111 WeakPolarHBondContact O-CB 3.34Å; V108-I111 PolarHBondContact O-N 3.12Å; V108-G112 PolarHBondContact O-N 3.19Å; V108-L204 HydrophobicContact CG1-CB 3.79Å; V108-L204 HydrophobicContact CG1-CD2 3.92Å; V108-L204 HydrophobicContact CG1-CG 4.37Å; V108-L204 WeakPolarHBondContact CG1-O 3.23Å; V108-L207 HydrophobicContact CG2-CB 4.08Å; V108-M239 HydrophobicContact CG1-CE 4.06Å
109	L	95.8	Very high	96.4	Very high	67 Å²	67	63.4 Å²	63.4	35%	0.351	32%	0.315	S	S	.	.	H	α-helix	trans	-65.1	-38.9	178	-66.9	175.5	0	0	0	112	L105 T107 G112 I113 L243	L105-L109 HydrophobicContact CD1-CD1 4.22Å; L105-L109 HydrophobicContact CD1-CD2 4.4Å; L105-L109 HydrophobicContact CD1-CG 4.07Å; L105-L109 HydrophobicContact CG-CD1 3.97Å; L105-L109 HydrophobicContact CG-CG 4.25Å; L105-L109 VanDerWaalsContact O-CG 3.31Å; L105-L109 WeakPolarHBondContact O-CG 3.37Å; L105-L109 PolarHBondContact O-N 3.41Å; T107-L109 PolarHBondContact O-N 3.47Å; L109-G112 PolarHBondContact O-N 3.14Å; L109-I113 WeakPolarHBondContact O-CG1 3.43Å; L109-I113 PolarHBondContact O-N 3.14Å; L109-L243 HydrophobicContact CD2-CD1 4.15Å
110	R	97	Very high	96.9	Very high	189 Å²	189	57.9 Å²	57.9	71%	0.713	30%	0.297	S	S	*	.	H	α-helix	trans	-65.9	-37.6	173.9	-74.8	-176.6	178.8	-115.6	0.3	113	G106 T107 V108 G112 Q114	G106-R110 WeakPolarHBondContact O-CG 3.19Å; G106-R110 PolarHBondContact O-N 2.93Å; T107-R110 PolarHBondContact O-N 2.97Å; V108-R110 PolarHBondContact O-N 3Å; R110-G112 VanDerWaalsContact C-N 3.32Å; R110-Q114 PolarHBondContact O-N 3.29Å
111	I	98.3	Very high	97.2	Very high	11 Å²	11	54.6 Å²	54.6	6%	0.056	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-47.3	170.7	-70.3	164.5	0	0	0	109.4	L91 F103 T107 V108 I113 Q114 C115 I148 L204 L207	L91-I111 HydrophobicContact CD1-CD1 4.37Å; L91-I111 HydrophobicContact CD1-CG2 3.65Å; L91-I111 HydrophobicContact CD2-CD1 3.96Å; L91-I111 HydrophobicContact CD2-CG1 4.27Å; F103-I111 HydrophobicContact CD2-CD1 3.73Å; F103-I111 HydrophobicContact CE2-CD1 3.91Å; T107-I111 HydrophobicContact CG2-CD1 3.95Å; T107-I111 WeakPolarHBondContact O-CG1 3.35Å; T107-I111 PolarHBondContact O-N 3.06Å; V108-I111 WeakPolarHBondContact O-CB 3.34Å; V108-I111 PolarHBondContact O-N 3.12Å; I111-I113 VanDerWaalsContact C-N 3.34Å; I111-I113 PolarHBondContact O-N 3.1Å; I111-Q114 PolarHBondContact O-N 3.48Å; I111-C115 WeakPolarHBondContact O-CB 3.44Å; I111-C115 PolarHBondContact O-N 3.1Å; I111-C115 PolarHBondContact O-SG 3.09Å; I111-C115 VanDerWaalsContact O-SG 3.32Å; I111-I148 HydrophobicContact CB-CD1 3.98Å; I111-I148 HydrophobicContact CG1-CD1 3.78Å; I111-I148 HydrophobicContact CG2-CD1 3.95Å; I111-L204 HydrophobicContact CB-CD2 4.45Å; I111-L204 HydrophobicContact CG2-CD2 4.02Å; I111-L207 HydrophobicContact CD1-CD1 4.27Å; I111-L207 HydrophobicContact CG2-CD1 4.23Å
112	G	97.5	Very high	97.4	Very high	9 Å²	9	48.4 Å²	48.4	9%	0.093	25%	0.253	C	S	.	.	H	α-helix	trans	-56.3	-44.1	179.5	0	0	0	0	0	113.6	V108 L109 R110 A116	V108-G112 PolarHBondContact O-N 3.19Å; L109-G112 PolarHBondContact O-N 3.14Å; R110-G112 VanDerWaalsContact C-N 3.32Å; G112-A116 VanDerWaalsContact O-CB 3.23Å; G112-A116 WeakPolarHBondContact O-CB 3.35Å; G112-A116 PolarHBondContact O-N 2.93Å
113	I	97.2	Very high	97.4	Very high	98 Å²	98	44.2 Å²	44.2	50%	0.503	24%	0.238	S	C	.	.	H	α-helix	trans	-58.6	-56.3	177.3	-67.8	164.4	0	0	0	110.6	L109 I111 C115 A116 E117	L109-I113 WeakPolarHBondContact O-CG1 3.43Å; L109-I113 PolarHBondContact O-N 3.14Å; I111-I113 VanDerWaalsContact C-N 3.34Å; I111-I113 PolarHBondContact O-N 3.1Å; I113-C115 PolarHBondContact O-N 3.38Å; I113-A116 PolarHBondContact O-N 3.22Å; I113-E117 WeakPolarHBondContact O-CG 3.37Å; I113-E117 PolarHBondContact O-N 2.99Å
114	Q	98.6	Very high	97.4	Very high	36 Å²	36	48.3 Å²	48.3	17%	0.168	26%	0.261	C	S	.	.	H	α-helix	trans	-67.9	-36.3	-175.9	-67.3	-170.1	63.7	0	0	113.1	H66 R110 I111 A116 E117 A118 D146 I147 I148	H66-Q114 PolarHBondContact CE1-OE1 3.37Å; R110-Q114 PolarHBondContact O-N 3.29Å; I111-Q114 PolarHBondContact O-N 3.48Å; Q114-A116 VanDerWaalsContact C-N 3.34Å; Q114-E117 PolarHBondContact O-N 2.87Å; Q114-A118 WeakPolarHBondContact O-CB 3.41Å; Q114-A118 PolarHBondContact O-N 3.49Å; Q114-D146 PolarHBondContact NE2-O 3.36Å; Q114-D146 PolarHBondContact OE1-O 2.85Å; Q114-I147 VanDerWaalsContact OE1-CA 3.27Å; Q114-I148 HydrophobicContact CB-CB 4.07Å; Q114-I148 HydrophobicContact CB-CD1 4.22Å; Q114-I148 HydrophobicContact CB-CG1 4.35Å
115	C	98.7	Very high	97.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.9	-37.7	174.1	-71	0	0	0	0	111.6	I111 I113 A118 L119 F137 L200 M203	I111-C115 WeakPolarHBondContact O-CB 3.44Å; I111-C115 PolarHBondContact O-N 3.1Å; I111-C115 PolarHBondContact O-SG 3.09Å; I111-C115 VanDerWaalsContact O-SG 3.32Å; I113-C115 PolarHBondContact O-N 3.38Å; C115-A118 PolarHBondContact O-N 3.01Å; C115-L119 WeakPolarHBondContact O-CB 3.44Å; C115-L119 VanDerWaalsContact O-CG 3.25Å; C115-L119 WeakPolarHBondContact O-CG 3.35Å; C115-L119 PolarHBondContact O-N 3Å; C115-F137 HydrophobicContact CB-CD1 4.44Å; C115-F137 HydrophobicContact CB-CE1 4.02Å; C115-F137 HydrophobicContact CB-CZ 4.35Å; C115-F137 WeakPolarHBondContact SG-CD1 3.35Å; C115-L200 HydrophobicContact CB-CD1 3.56Å; C115-L200 HydrophobicContact CB-CD2 4.23Å; C115-M203 HydrophobicContact CB-CE 4.46Å
116	A	98.4	Very high	97.4	Very high	31 Å²	31	41.9 Å²	41.9	26%	0.256	23%	0.229	S	C	.	.	H	α-helix	trans	-68.3	-41.3	176	0	0	0	0	0	111.8	G112 I113 Q114 L119 S120 M197 L200	G112-A116 VanDerWaalsContact O-CB 3.23Å; G112-A116 WeakPolarHBondContact O-CB 3.35Å; G112-A116 PolarHBondContact O-N 2.93Å; I113-A116 PolarHBondContact O-N 3.22Å; Q114-A116 VanDerWaalsContact C-N 3.34Å; A116-L119 PolarHBondContact O-N 3.4Å; A116-S120 WeakPolarHBondContact O-CB 3.16Å; A116-S120 PolarHBondContact O-N 2.87Å; A116-M197 HydrophobicContact CB-CE 4.26Å; A116-L200 HydrophobicContact CB-CD2 3.93Å
117	E	98.6	Very high	97.5	Very high	94 Å²	94	40.1 Å²	40.1	44%	0.439	21%	0.21	S	C	.	.	H	α-helix	trans	-58.5	-48.2	172.6	-71.4	167.5	160.9	0	0	110.8	H66 I113 Q114 L119 S120 D121	H66-E117 IonicContact NE2-OE2 3.52Å; I113-E117 WeakPolarHBondContact O-CG 3.37Å; I113-E117 PolarHBondContact O-N 2.99Å; Q114-E117 PolarHBondContact O-N 2.87Å; E117-L119 PolarHBondContact O-N 3.44Å; E117-S120 WeakPolarHBondContact O-CB 3.07Å; E117-S120 PolarHBondContact O-N 2.93Å; E117-D121 PolarHBondContact O-N 2.9Å
118	A	98.7	Very high	97.4	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.017	19%	0.194	C	C	.	.	H	α-helix	trans	-60	-43.6	176.5	0	0	0	0	0	113.1	H66 Q114 C115 D121 I122 V150	H66-A118 HydrophobicContact CB-CB 3.43Å; H66-A118 VanDerWaalsContact CB-CB 3.43Å; Q114-A118 WeakPolarHBondContact O-CB 3.41Å; Q114-A118 PolarHBondContact O-N 3.49Å; C115-A118 PolarHBondContact O-N 3.01Å; A118-D121 PolarHBondContact O-N 3.16Å; A118-I122 WeakPolarHBondContact O-CD1 3.29Å; A118-I122 VanDerWaalsContact O-CG1 3.23Å; A118-I122 WeakPolarHBondContact O-CG1 3.47Å; A118-I122 PolarHBondContact O-N 2.93Å; A118-I122 VanDerWaalsContact O-N 3.11Å; A118-V150 HydrophobicContact CB-CG2 3.9Å
119	L	98.7	Very high	97.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.8	-39.6	177.1	-73.1	174	0	0	0	111.4	C115 A116 E117 D121 I122 H123 L129 V132 D196 M197 L200	C115-L119 WeakPolarHBondContact O-CB 3.44Å; C115-L119 VanDerWaalsContact O-CG 3.25Å; C115-L119 WeakPolarHBondContact O-CG 3.35Å; C115-L119 PolarHBondContact O-N 3Å; A116-L119 PolarHBondContact O-N 3.4Å; E117-L119 PolarHBondContact O-N 3.44Å; L119-D121 VanDerWaalsContact C-N 3.34Å; L119-D121 PolarHBondContact O-N 2.73Å; L119-I122 HydrophobicContact CD2-CD1 4.37Å; L119-I122 WeakPolarHBondContact O-CB 3.42Å; L119-I122 PolarHBondContact O-N 3.14Å; L119-H123 WeakPolarHBondContact O-CB 3.32Å; L119-H123 PolarHBondContact O-CD2 3.4Å; L119-H123 PolarHBondContact O-N 3.06Å; L119-H123 PolarHBondContact O-ND1 3.32Å; L119-L129 HydrophobicContact CD2-CB 3.96Å; L119-L129 HydrophobicContact CD2-CD2 3.87Å; L119-V132 HydrophobicContact CD1-CG2 4.19Å; L119-V132 HydrophobicContact CD2-CG2 3.99Å; L119-D196 HydrophobicContact CD1-CB 4.25Å; L119-D196 HydrophobicContact CD2-CB 4.09Å; L119-M197 HydrophobicContact CB-SD 4.4Å; L119-M197 HydrophobicContact CD1-SD 4.01Å; L119-L200 HydrophobicContact CD1-CB 4.16Å; L119-L200 HydrophobicContact CD1-CD2 4.1Å
120	S	98.1	Very high	97.4	Very high	56 Å²	56	36.5 Å²	36.5	39%	0.392	19%	0.185	S	C	.	.	H	α-helix	trans	-57.9	-46.6	173.9	-166.8	0	0	0	0	111.2	A116 E117 I122 H123 D124	A116-S120 WeakPolarHBondContact O-CB 3.16Å; A116-S120 PolarHBondContact O-N 2.87Å; E117-S120 WeakPolarHBondContact O-CB 3.07Å; E117-S120 PolarHBondContact O-N 2.93Å; S120-I122 VanDerWaalsContact C-N 3.3Å; S120-I122 PolarHBondContact O-N 3.31Å; S120-H123 PolarHBondContact O-N 3.19Å; S120-D124 VanDerWaalsContact O-CB 3.32Å; S120-D124 WeakPolarHBondContact O-CB 3.39Å; S120-D124 PolarHBondContact O-N 2.96Å
121	D	98.3	Very high	97.4	Very high	54 Å²	54	28 Å²	28	29%	0.289	15%	0.154	S	C	.	.	H	α-helix	trans	-59.7	-40.7	177	-70.4	-20.5	0	0	0	111.9	L61 S64 E117 A118 L119 A125	L61-D121 HydrophobicContact CD2-CB 4.28Å; L61-D121 VanDerWaalsContact CD2-O 3.32Å; L61-D121 WeakPolarHBondContact CD2-O 3.47Å; S64-D121 WeakPolarHBondContact CB-OD2 3.18Å; S64-D121 PolarHBondContact OG-OD2 3.21Å; E117-D121 PolarHBondContact O-N 2.9Å; A118-D121 PolarHBondContact O-N 3.16Å; L119-D121 VanDerWaalsContact C-N 3.34Å; L119-D121 PolarHBondContact O-N 2.73Å; D121-A125 WeakPolarHBondContact O-CB 3.34Å; D121-A125 PolarHBondContact O-N 2.86Å
122	I	98.2	Very high	97.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.9	-47.4	177.8	-68.5	163.6	0	0	0	111.1	L61 A118 L119 S120 A125 G126 F127 L129 V150 F153	L61-I122 HydrophobicContact CD1-CG1 3.75Å; A118-I122 WeakPolarHBondContact O-CD1 3.29Å; A118-I122 VanDerWaalsContact O-CG1 3.23Å; A118-I122 WeakPolarHBondContact O-CG1 3.47Å; A118-I122 PolarHBondContact O-N 2.93Å; A118-I122 VanDerWaalsContact O-N 3.11Å; L119-I122 HydrophobicContact CD2-CD1 4.37Å; L119-I122 WeakPolarHBondContact O-CB 3.42Å; L119-I122 PolarHBondContact O-N 3.14Å; S120-I122 VanDerWaalsContact C-N 3.3Å; S120-I122 PolarHBondContact O-N 3.31Å; I122-A125 PolarHBondContact O-N 2.71Å; I122-G126 PolarHBondContact O-N 3.21Å; I122-F127 CarbonylContact C-O 3.53Å; I122-F127 HydrophobicContact CG2-CB 3.89Å; I122-F127 PolarHBondContact O-N 3Å; I122-L129 HydrophobicContact CD1-CD1 4.47Å; I122-L129 HydrophobicContact CD1-CD2 4.36Å; I122-V150 HydrophobicContact CD1-CG1 4.45Å; I122-V150 HydrophobicContact CD1-CG2 4.09Å; I122-F153 HydrophobicContact CD1-CE1 3.77Å; I122-F153 HydrophobicContact CD1-CZ 4.47Å; I122-F153 HydrophobicContact CG1-CE1 4.04Å
123	H	96.6	Very high	97.4	Very high	15 Å²	15	30.2 Å²	30.2	7%	0.069	16%	0.159	C	C	.	.	H	α-helix	trans	-62.7	-44.9	178.5	-65	171.5	0	0	0	110.8	L119 S120 A125 G126 F127 R160 E193 D196	L119-H123 WeakPolarHBondContact O-CB 3.32Å; L119-H123 PolarHBondContact O-CD2 3.4Å; L119-H123 PolarHBondContact O-N 3.06Å; L119-H123 PolarHBondContact O-ND1 3.32Å; S120-H123 PolarHBondContact O-N 3.19Å; H123-A125 VanDerWaalsContact C-N 3.32Å; H123-A125 PolarHBondContact O-N 2.9Å; H123-G126 WeakPolarHBondContact O-CA 3.3Å; H123-G126 PolarHBondContact O-N 3.44Å; H123-F127 WeakPolarHBondContact CA-O 3.39Å; H123-F127 PolarHBondContact CD2-O 3.39Å; H123-F127 VanDerWaalsContact CD2-O 3.3Å; H123-R160 PolarHBondContact O-NH2 2.94Å; H123-E193 HydrophobicContact CB-CG 4.03Å; H123-E193 PolarHBondContact CE1-O 3.41Å; H123-E193 VanDerWaalsContact CE1-O 3.31Å; H123-D196 IonicContact CD2-OD2 3.74Å; H123-D196 IonicContact CE1-OD2 3.87Å; H123-D196 IonicContact NE2-OD2 2.85Å; H123-D196 PolarHBondContact NE2-OD2 2.73Å
124	D	95.7	Very high	97.5	Very high	105 Å²	105	25.6 Å²	25.6	56%	0.561	14%	0.135	S	C	*	.	H	α-helix	trans	-61.5	-39.2	176.3	-79.5	-22.4	0	0	0	112.4	S120 G126 R160	S120-D124 VanDerWaalsContact O-CB 3.32Å; S120-D124 WeakPolarHBondContact O-CB 3.39Å; S120-D124 PolarHBondContact O-N 2.96Å; D124-G126 PolarHBondContact O-N 3Å; D124-R160 PolarHBondContact O-NH2 3.23Å
125	A	96	Very high	97.4	Very high	14 Å²	14	27.9 Å²	27.9	12%	0.116	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.6	173.2	0	0	0	0	0	114.1	R60 L61 D121 I122 H123 F127	R60-A125 HydrophobicContact CG-CB 3.99Å; L61-A125 HydrophobicContact CD2-CB 3.57Å; L61-A125 HydrophobicContact CG-CB 4.33Å; D121-A125 WeakPolarHBondContact O-CB 3.34Å; D121-A125 PolarHBondContact O-N 2.86Å; I122-A125 PolarHBondContact O-N 2.71Å; H123-A125 VanDerWaalsContact C-N 3.32Å; H123-A125 PolarHBondContact O-N 2.9Å; A125-F127 HydrophobicContact CB-CD2 3.94Å; A125-F127 HydrophobicContact CB-CE2 4.21Å; A125-F127 WeakPolarHBondContact O-CE2 3.41Å
126	G	95.5	Very high	97.4	Very high	1 Å²	1	28 Å²	28	1%	0.01	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.5	23.5	175.8	0	0	0	0	0	114.5	I122 H123 D124 Q158 F159 R160	I122-G126 PolarHBondContact O-N 3.21Å; H123-G126 WeakPolarHBondContact O-CA 3.3Å; H123-G126 PolarHBondContact O-N 3.44Å; D124-G126 PolarHBondContact O-N 3Å; G126-Q158 CarbonylContact O-C 3.57Å; G126-Q158 WeakPolarHBondContact O-CA 3.43Å; G126-Q158 WeakPolarHBondContact O-CG 3.47Å; G126-F159 VanDerWaalsContact C-CD1 3.41Å; G126-F159 VanDerWaalsContact O-CD1 3.23Å; G126-F159 WeakPolarHBondContact O-CD1 3.46Å; G126-F159 PolarHBondContact O-N 2.55Å; G126-R160 PolarHBondContact O-N 2.79Å; G126-R160 VanDerWaalsContact O-N 3.17Å
127	F	96.6	Very high	97.4	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.018	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	159.6	179.6	-56.5	-92	0	0	0	112.7	F56 I57 R60 I122 H123 A125 F157 Q158 F159	F56-F127 HydrophobicContact CD1-CE1 4.38Å; F56-F127 AromaticContact CD1-CZ 3.96Å; F56-F127 HydrophobicContact CD1-CZ 3.96Å; F56-F127 HydrophobicContact CE1-CE1 4.23Å; F56-F127 AromaticContact CE1-CZ 3.62Å; F56-F127 HydrophobicContact CE1-CZ 3.62Å; I57-F127 HydrophobicContact CD1-CD1 4Å; I57-F127 HydrophobicContact CD1-CE1 4.09Å; I57-F127 HydrophobicContact CG1-CD1 3.88Å; I57-F127 HydrophobicContact CG1-CE1 3.59Å; I57-F127 HydrophobicContact CG1-CE2 4.32Å; I57-F127 HydrophobicContact CG1-CG 4.35Å; I57-F127 HydrophobicContact CG1-CZ 3.83Å; R60-F127 HydrophobicContact CB-CE2 4.45Å; R60-F127 HydrophobicContact CG-CE2 4.19Å; I122-F127 CarbonylContact C-O 3.53Å; I122-F127 HydrophobicContact CG2-CB 3.89Å; I122-F127 PolarHBondContact O-N 3Å; H123-F127 WeakPolarHBondContact CA-O 3.39Å; H123-F127 PolarHBondContact CD2-O 3.39Å; H123-F127 VanDerWaalsContact CD2-O 3.3Å; A125-F127 HydrophobicContact CB-CD2 3.94Å; A125-F127 HydrophobicContact CB-CE2 4.21Å; A125-F127 WeakPolarHBondContact O-CE2 3.41Å; F127-F157 CarbonylContact C-O 3.43Å; F127-F157 WeakPolarHBondContact CA-O 3.4Å; F127-Q158 HydrophobicContact CD1-CB 3.67Å; F127-Q158 HydrophobicContact CD1-CG 3.94Å; F127-Q158 HydrophobicContact CE1-CB 3.56Å; F127-Q158 HydrophobicContact CE1-CG 3.62Å; F127-Q158 HydrophobicContact CZ-CB 4.49Å; F127-Q158 HydrophobicContact CZ-CG 4.07Å; F127-F159 WeakPolarHBondContact O-CE1 3.41Å
128	I	95.4	Very high	97.4	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.015	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.8	169	-58.4	167.7	0	0	0	106.6	R130 A156 F157 F159 L191 E193 D196	I128-R130 HydrophobicContact CB-CG 4.17Å; I128-R130 HydrophobicContact CG2-CG 3.66Å; I128-A156 CarbonylContact O-C 3.46Å; I128-A156 WeakPolarHBondContact O-CA 3.16Å; I128-A156 WeakPolarHBondContact O-CB 3.3Å; I128-F157 PolarHBondContact N-O 3.01Å; I128-F157 PolarHBondContact O-N 2.91Å; I128-F159 HydrophobicContact CD1-CB 4.06Å; I128-F159 HydrophobicContact CD1-CD1 3.98Å; I128-F159 HydrophobicContact CD1-CG 4.08Å; I128-F159 HydrophobicContact CG1-CD1 3.58Å; I128-F159 HydrophobicContact CG1-CE1 4.05Å; I128-F159 HydrophobicContact CG1-CG 4.19Å; I128-L191 WeakPolarHBondContact CD1-O 3.34Å; I128-E193 HydrophobicContact CG1-CG 4.42Å; I128-D196 VanDerWaalsContact CG2-OD2 3.25Å; I128-D196 WeakPolarHBondContact CG2-OD2 3.43Å
129	L	96.9	Very high	97.3	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.01	13%	0.125	C	C	.	.			trans	-73.8	-40.6	-175	-172.6	58.3	0	0	0	112.2	L119 I122 D131 V132 F137 V150 F153 D196	L119-L129 HydrophobicContact CD2-CB 3.96Å; L119-L129 HydrophobicContact CD2-CD2 3.87Å; I122-L129 HydrophobicContact CD1-CD1 4.47Å; I122-L129 HydrophobicContact CD1-CD2 4.36Å; L129-D131 PolarHBondContact O-N 3Å; L129-V132 HydrophobicContact CD2-CG2 4.2Å; L129-F137 HydrophobicContact CD2-CZ 4.13Å; L129-V150 HydrophobicContact CD1-CG1 4.01Å; L129-V150 HydrophobicContact CD2-CG1 3.98Å; L129-F153 HydrophobicContact CD1-CD1 3.84Å; L129-F153 HydrophobicContact CD1-CE1 4.19Å; L129-D196 PolarHBondContact N-OD2 2.81Å
130	R	95.9	Very high	97.1	Very high	43 Å²	43	24.4 Å²	24.4	16%	0.162	13%	0.127	C	C	.	.			trans	64.5	-8.5	177.8	-53.9	-166.6	-59.6	-178.8	-1.6	116.8	I128 I155 G176 L191 D196	I128-R130 HydrophobicContact CB-CG 4.17Å; I128-R130 HydrophobicContact CG2-CG 3.66Å; R130-I155 HydrophobicContact CB-CD1 4.33Å; R130-I155 HydrophobicContact CB-CG1 4.42Å; R130-I155 PolarHBondContact NE-O 3.11Å; R130-I155 PolarHBondContact NH2-O 2.61Å; R130-G176 WeakPolarHBondContact O-CA 3.15Å; R130-L191 HydrophobicContact CB-CD1 4.18Å; R130-L191 HydrophobicContact CG-CB 4.46Å; R130-L191 HydrophobicContact CG-CD1 4.08Å; R130-D196 WeakPolarHBondContact CA-OD1 3.3Å; R130-D196 PolarHBondContact N-OD1 2.79Å
131	D	96.5	Very high	96.7	Very high	10 Å²	10	25.8 Å²	25.8	5%	0.053	12%	0.123	C	C	.	.			trans	-133.3	54.8	176	-158.5	22.3	0	0	0	112.5	L129 R133 N136 I155 G176 S177	L129-D131 PolarHBondContact O-N 3Å; D131-R133 PolarHBondContact O-N 2.99Å; D131-R133 VanDerWaalsContact O-N 3.1Å; D131-R133 WeakPolarHBondContact OD1-CD 3.34Å; D131-R133 IonicContact OD1-CZ 2.96Å; D131-R133 IonicContact OD1-NE 3.46Å; D131-R133 IonicContact OD1-NH1 2.84Å; D131-R133 PolarHBondContact OD1-NH1 3.27Å; D131-R133 IonicContact OD2-CZ 3.67Å; D131-R133 IonicContact OD2-NE 3.55Å; D131-R133 PolarHBondContact OD2-NE 3.05Å; D131-R133 IonicContact OD2-NH1 2.72Å; D131-R133 PolarHBondContact OD2-NH1 3.27Å; D131-R133 IonicContact OD2-NH2 3.56Å; D131-R133 PolarHBondContact OD2-NH2 3.45Å; D131-R133 VanDerWaalsContact OD2-NH2 3.14Å; D131-N136 WeakPolarHBondContact CB-ND2 3.27Å; D131-N136 VanDerWaalsContact CG-ND2 3.34Å; D131-N136 PolarHBondContact O-ND2 2.94Å; D131-N136 PolarHBondContact OD2-ND2 3.5Å; D131-I155 HydrophobicContact CB-CD1 3.59Å; D131-I155 HydrophobicContact CB-CG1 3.84Å; D131-G176 WeakPolarHBondContact OD1-CA 2.95Å; D131-S177 PolarHBondContact OD1-N 3.19Å
132	V	98.6	Very high	96.3	Very high	2 Å²	2	29 Å²	29	1%	0.012	14%	0.14	C	C	.	.			trans	-69.3	106.1	175.1	-176.9	0	0	0	0	109.5	L119 L129 F137 Y180 D196 L200 M203	L119-V132 HydrophobicContact CD1-CG2 4.19Å; L119-V132 HydrophobicContact CD2-CG2 3.99Å; L129-V132 HydrophobicContact CD2-CG2 4.2Å; V132-F137 HydrophobicContact CB-CE2 4.42Å; V132-F137 HydrophobicContact CG1-CE2 3.71Å; V132-F137 HydrophobicContact CG1-CZ 4.05Å; V132-Y180 VanDerWaalsContact O-CB 3.23Å; V132-Y180 WeakPolarHBondContact O-CB 3.33Å; V132-D196 HydrophobicContact CG2-CB 3.96Å; V132-L200 HydrophobicContact CG1-CB 4.04Å; V132-M203 HydrophobicContact CG1-CE 4.17Å
133	R	98	Very high	96	Very high	65 Å²	65	36 Å²	36	25%	0.245	18%	0.178	C	C	.	.	S	Bend	trans	-158	159.1	179.5	67.8	-179.9	-176.4	-152.3	1.4	112.2	D131 E135 N136 F137 Y180	D131-R133 PolarHBondContact O-N 2.99Å; D131-R133 VanDerWaalsContact O-N 3.1Å; D131-R133 WeakPolarHBondContact OD1-CD 3.34Å; D131-R133 IonicContact OD1-CZ 2.96Å; D131-R133 IonicContact OD1-NE 3.46Å; D131-R133 IonicContact OD1-NH1 2.84Å; D131-R133 PolarHBondContact OD1-NH1 3.27Å; D131-R133 IonicContact OD2-CZ 3.67Å; D131-R133 IonicContact OD2-NE 3.55Å; D131-R133 PolarHBondContact OD2-NE 3.05Å; D131-R133 IonicContact OD2-NH1 2.72Å; D131-R133 PolarHBondContact OD2-NH1 3.27Å; D131-R133 IonicContact OD2-NH2 3.56Å; D131-R133 PolarHBondContact OD2-NH2 3.45Å; D131-R133 VanDerWaalsContact OD2-NH2 3.14Å; R133-E135 WeakPolarHBondContact CD-OE2 3.28Å; R133-E135 HydrophobicContact CG-CB 4.24Å; R133-E135 WeakPolarHBondContact CG-OE2 3.47Å; R133-E135 IonicContact NE-OE2 3.9Å; R133-E135 PolarHBondContact O-N 3.12Å; R133-N136 HydrophobicContact CG-CB 4.25Å; R133-N136 PolarHBondContact NE-OD1 3.19Å; R133-N136 VanDerWaalsContact NE-OD1 3.14Å; R133-N136 PolarHBondContact NH2-OD1 3.29Å; R133-N136 PolarHBondContact O-N 3.26Å; R133-F137 VanDerWaalsContact O-CD2 3.27Å; R133-F137 WeakPolarHBondContact O-CD2 3.23Å; R133-Y180 HydrophobicContact CB-CD2 3.34Å; R133-Y180 HydrophobicContact CB-CE2 3.71Å; R133-Y180 HydrophobicContact CB-CG 4.24Å
134	P	98.5	Very high	95.7	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-56.9	-28	-175.6	-27.5	36.9	0	0	0	115.2	L91 A92 N136 F137 Y180 M203 L207	L91-P134 HydrophobicContact CB-CB 3.91Å; L91-P134 WeakPolarHBondContact CB-O 3.39Å; L91-P134 PolarHBondContact N-O 3.3Å; L91-P134 VanDerWaalsContact N-O 3.13Å; A92-P134 HydrophobicContact CB-CB 3.89Å; A92-P134 PolarHBondContact N-O 2.89Å; P134-N136 VanDerWaalsContact C-N 3.28Å; P134-N136 PolarHBondContact O-N 2.92Å; P134-F137 VanDerWaalsContact O-O 3.11Å; P134-Y180 VanDerWaalsContact CD-CZ 3.48Å; P134-Y180 HydrophobicContact CG-CE2 4.31Å; P134-M203 HydrophobicContact CG-CG 3.83Å; P134-M203 HydrophobicContact CG-SD 4.01Å; P134-M203 VanDerWaalsContact N-SD 3.42Å; P134-L207 HydrophobicContact CB-CD2 4.32Å; P134-L207 HydrophobicContact CG-CD2 3.93Å; P134-L207 HydrophobicContact CG-CG 4.42Å
135	E	97.8	Very high	95.6	Very high	83 Å²	83	40.1 Å²	40.1	39%	0.388	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-69	-25.1	178.1	-65.2	78.7	-176.8	0	0	113.3	A92 R133	A92-E135 HydrophobicContact CB-CG 3.77Å; R133-E135 WeakPolarHBondContact CD-OE2 3.28Å; R133-E135 HydrophobicContact CG-CB 4.24Å; R133-E135 WeakPolarHBondContact CG-OE2 3.47Å; R133-E135 IonicContact NE-OE2 3.9Å; R133-E135 PolarHBondContact O-N 3.12Å
136	N	98	Very high	95.5	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-99.5	2.4	-174.8	-62.6	3.8	0	0	0	112.4	D131 R133 P134 V150 V151 D152	D131-N136 WeakPolarHBondContact CB-ND2 3.27Å; D131-N136 VanDerWaalsContact CG-ND2 3.34Å; D131-N136 PolarHBondContact O-ND2 2.94Å; D131-N136 PolarHBondContact OD2-ND2 3.5Å; R133-N136 HydrophobicContact CG-CB 4.25Å; R133-N136 PolarHBondContact NE-OD1 3.19Å; R133-N136 VanDerWaalsContact NE-OD1 3.14Å; R133-N136 PolarHBondContact NH2-OD1 3.29Å; R133-N136 PolarHBondContact O-N 3.26Å; P134-N136 VanDerWaalsContact C-N 3.28Å; P134-N136 PolarHBondContact O-N 2.92Å; N136-V150 WeakPolarHBondContact O-CA 3.46Å; N136-V151 PolarHBondContact O-N 2.82Å; N136-D152 HydrophobicContact CB-CB 4.29Å
137	F	98.6	Very high	95.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	124.3	172.9	-66.1	-84.3	0	0	0	109.9	D90 L91 C115 L129 V132 R133 P134 I148 Y149 V150 M203	D90-F137 CarbonylContact C-O 3.39Å; D90-F137 VanDerWaalsContact CA-O 3.3Å; D90-F137 WeakPolarHBondContact CA-O 3.46Å; L91-F137 HydrophobicContact CD1-CB 3.78Å; L91-F137 HydrophobicContact CG-CB 4.14Å; L91-F137 WeakPolarHBondContact CG-O 3.33Å; L91-F137 PolarHBondContact N-O 3.19Å; C115-F137 HydrophobicContact CB-CD1 4.44Å; C115-F137 HydrophobicContact CB-CE1 4.02Å; C115-F137 HydrophobicContact CB-CZ 4.35Å; C115-F137 WeakPolarHBondContact SG-CD1 3.35Å; L129-F137 HydrophobicContact CD2-CZ 4.13Å; V132-F137 HydrophobicContact CB-CE2 4.42Å; V132-F137 HydrophobicContact CG1-CE2 3.71Å; V132-F137 HydrophobicContact CG1-CZ 4.05Å; R133-F137 VanDerWaalsContact O-CD2 3.27Å; R133-F137 WeakPolarHBondContact O-CD2 3.23Å; P134-F137 VanDerWaalsContact O-O 3.11Å; F137-I148 HydrophobicContact CB-CG2 3.86Å; F137-I148 HydrophobicContact CD1-CG2 3.81Å; F137-I148 HydrophobicContact CG-CG2 4.27Å; F137-Y149 CarbonylContact C-O 3.59Å; F137-Y149 VanDerWaalsContact CA-O 3.28Å; F137-Y149 WeakPolarHBondContact CA-O 3.48Å; F137-V150 HydrophobicContact CD1-CG2 3.94Å; F137-V150 HydrophobicContact CE1-CG2 3.59Å; F137-V150 HydrophobicContact CZ-CG2 4.45Å; F137-M203 HydrophobicContact CD2-CE 3.91Å; F137-M203 HydrophobicContact CD2-SD 3.92Å; F137-M203 HydrophobicContact CE2-CE 3.89Å; F137-M203 HydrophobicContact CE2-SD 4.16Å
138	A	97.9	Very high	95.7	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.025	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	150.2	-179.2	0	0	0	0	0	112.6	V87 D90 I148 Y149 V151	V87-A138 HydrophobicContact CB-CB 4.45Å; V87-A138 HydrophobicContact CG2-CB 3.77Å; D90-A138 HydrophobicContact CB-CB 4.23Å; A138-I148 CarbonylContact O-C 3.2Å; A138-I148 WeakPolarHBondContact O-CA 3.1Å; A138-Y149 PolarHBondContact N-O 3.18Å; A138-Y149 PolarHBondContact O-N 3.32Å; A138-V151 HydrophobicContact CB-CG1 3.77Å
139	I	97	Very high	95.9	Very high	44 Å²	44	48.3 Å²	48.3	23%	0.226	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	154.1	174.7	64.5	172.7	0	0	0	110.4	G88 P89 I94 I147	G88-I139 WeakPolarHBondContact CA-O 3.31Å; G88-I139 PolarHBondContact N-O 3.38Å; P89-I139 HydrophobicContact CG-CD1 4.13Å; P89-I139 HydrophobicContact CG-CG1 4.17Å; P89-I139 PolarHBondContact O-N 3.36Å; I94-I139 HydrophobicContact CD1-CB 4.48Å; I94-I139 HydrophobicContact CD1-CD1 3.81Å; I94-I139 HydrophobicContact CD1-CG1 3.96Å; I94-I139 HydrophobicContact CD1-CG2 3.78Å; I139-I147 CarbonylContact C-O 3.43Å; I139-I147 VanDerWaalsContact CA-O 3.3Å; I139-I147 WeakPolarHBondContact CA-O 3.25Å
140	G	94.2	Very high	95.9	Very high	4 Å²	4	48.2 Å²	48.2	4%	0.041	23%	0.231	C	C	.	.			trans	-67	-176.8	170.3	0	0	0	0	0	112.8	K144 K145 I147	G140-K144 WeakPolarHBondContact CA-O 3.15Å; G140-K144 PolarHBondContact N-O 3.47Å; G140-K145 WeakPolarHBondContact O-CA 3.37Å; G140-I147 PolarHBondContact N-O 3.01Å
141	R	90.5	Very high	95.9	Very high	84 Å²	84	47.6 Å²	47.6	32%	0.317	23%	0.231	S	C	.	.			trans	-111.3	155.8	177.6	-64.5	-176.4	56.8	-165.7	-9.1	110.5	L86 D143 K144	L86-R141 WeakPolarHBondContact O-CD 3.3Å; R141-D143 PolarHBondContact O-N 2.9Å; R141-D143 VanDerWaalsContact O-N 3.1Å; R141-K144 WeakPolarHBondContact O-CA 3.48Å; R141-K144 PolarHBondContact O-N 3.4Å
142	D	89.7	Confident	95.7	Very high	122 Å²	122	49 Å²	49	65%	0.652	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	53.6	-112.6	169.2	-53.3	-52.7	0	0	0	112.3	K144 K145	D142-K144 VanDerWaalsContact C-N 3.3Å; D142-K144 PolarHBondContact O-N 3.21Å; D142-K145 WeakPolarHBondContact O-CB 3.36Å; D142-K145 WeakPolarHBondContact O-CG 3.14Å; D142-K145 PolarHBondContact O-N 3.47Å
143	D	90.8	Very high	95.6	Very high	146 Å²	146	49 Å²	49	78%	0.781	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-71.8	-20	177.8	64.4	-35.7	0	0	0	113.8	R141	R141-D143 PolarHBondContact O-N 2.9Å; R141-D143 VanDerWaalsContact O-N 3.1Å
144	K	92.2	Very high	95.2	Very high	86 Å²	86	47.2 Å²	47.2	37%	0.374	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-95.9	9.6	176.9	-55.6	-164	-172.6	179	0	114	G140 R141 D142 D146 I147 Y149	G140-K144 WeakPolarHBondContact CA-O 3.15Å; G140-K144 PolarHBondContact N-O 3.47Å; R141-K144 WeakPolarHBondContact O-CA 3.48Å; R141-K144 PolarHBondContact O-N 3.4Å; D142-K144 VanDerWaalsContact C-N 3.3Å; D142-K144 PolarHBondContact O-N 3.21Å; K144-D146 PolarHBondContact O-N 2.87Å; K144-I147 HydrophobicContact CB-CD1 4.1Å; K144-I147 HydrophobicContact CD-CD1 4.43Å; K144-I147 HydrophobicContact CG-CD1 4.27Å; K144-I147 WeakPolarHBondContact O-CB 3.31Å; K144-I147 PolarHBondContact O-N 2.77Å; K144-Y149 WeakPolarHBondContact CD-OH 3.48Å
145	K	93	Very high	94.9	Very high	121 Å²	121	49.5 Å²	49.5	53%	0.526	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.9	-175.7	69.2	177.3	-176.2	171.7	0	115.5	G140 D142	G140-K145 WeakPolarHBondContact O-CA 3.37Å; D142-K145 WeakPolarHBondContact O-CB 3.36Å; D142-K145 WeakPolarHBondContact O-CG 3.14Å; D142-K145 PolarHBondContact O-N 3.47Å
146	D	94.4	Very high	94.8	Very high	121 Å²	121	45.6 Å²	45.6	65%	0.647	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94	-0.1	-180	-63.8	-42.3	0	0	0	112.3	Q114 K144	Q114-D146 PolarHBondContact NE2-O 3.36Å; Q114-D146 PolarHBondContact OE1-O 2.85Å; K144-D146 PolarHBondContact O-N 2.87Å
147	I	97.7	Very high	94.5	Very high	53 Å²	53	46.9 Å²	46.9	27%	0.272	24%	0.235	S	C	.	.			trans	-95.8	134.4	176.7	-56.4	178.3	0	0	0	109.6	T65 Q114 I139 G140 K144 Y149	T65-I147 WeakPolarHBondContact O-CG2 3.46Å; Q114-I147 VanDerWaalsContact OE1-CA 3.27Å; I139-I147 CarbonylContact C-O 3.43Å; I139-I147 VanDerWaalsContact CA-O 3.3Å; I139-I147 WeakPolarHBondContact CA-O 3.25Å; G140-I147 PolarHBondContact N-O 3.01Å; K144-I147 HydrophobicContact CB-CD1 4.1Å; K144-I147 HydrophobicContact CD-CD1 4.43Å; K144-I147 HydrophobicContact CG-CD1 4.27Å; K144-I147 WeakPolarHBondContact O-CB 3.31Å; K144-I147 PolarHBondContact O-N 2.77Å; I147-Y149 HydrophobicContact CB-CE2 3.84Å; I147-Y149 HydrophobicContact CG2-CD2 4.22Å; I147-Y149 HydrophobicContact CG2-CE2 3.62Å
148	I	98.6	Very high	94.3	Very high	8 Å²	8	49.6 Å²	49.6	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	135.3	172.4	-64	-178.7	0	0	0	110.3	H66 I111 Q114 F137 A138	H66-I148 WeakPolarHBondContact CA-O 3.44Å; H66-I148 WeakPolarHBondContact CB-O 3.28Å; H66-I148 PolarHBondContact ND1-O 3.06Å; I111-I148 HydrophobicContact CB-CD1 3.98Å; I111-I148 HydrophobicContact CG1-CD1 3.78Å; I111-I148 HydrophobicContact CG2-CD1 3.95Å; Q114-I148 HydrophobicContact CB-CB 4.07Å; Q114-I148 HydrophobicContact CB-CD1 4.22Å; Q114-I148 HydrophobicContact CB-CG1 4.35Å; F137-I148 HydrophobicContact CB-CG2 3.86Å; F137-I148 HydrophobicContact CD1-CG2 3.81Å; F137-I148 HydrophobicContact CG-CG2 4.27Å; A138-I148 CarbonylContact O-C 3.2Å; A138-I148 WeakPolarHBondContact O-CA 3.1Å
149	Y	98.4	Very high	94	Very high	13 Å²	13	50.5 Å²	50.5	5%	0.051	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	137.9	179.3	-68.6	-91.2	0	0	0	110.7	H66 T67 V87 F137 A138 K144 I147	H66-Y149 CarbonylContact O-C 3.53Å; H66-Y149 VanDerWaalsContact O-CA 3.28Å; H66-Y149 WeakPolarHBondContact O-CA 3.45Å; T67-Y149 WeakPolarHBondContact O-CD1 3.18Å; T67-Y149 WeakPolarHBondContact O-CE1 3.21Å; V87-Y149 HydrophobicContact CB-CD2 4.44Å; V87-Y149 HydrophobicContact CG1-CD1 4.03Å; V87-Y149 HydrophobicContact CG1-CD2 3.75Å; V87-Y149 HydrophobicContact CG1-CE2 4.31Å; V87-Y149 HydrophobicContact CG1-CG 3.6Å; F137-Y149 CarbonylContact C-O 3.59Å; F137-Y149 VanDerWaalsContact CA-O 3.28Å; F137-Y149 WeakPolarHBondContact CA-O 3.48Å; A138-Y149 PolarHBondContact N-O 3.18Å; A138-Y149 PolarHBondContact O-N 3.32Å; K144-Y149 WeakPolarHBondContact CD-OH 3.48Å; I147-Y149 HydrophobicContact CB-CE2 3.84Å; I147-Y149 HydrophobicContact CG2-CD2 4.22Å; I147-Y149 HydrophobicContact CG2-CE2 3.62Å
150	V	98.4	Very high	93.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	128.5	162.3	-174.4	0	0	0	0	108.2	H66 A118 I122 L129 N136 F137 F153	H66-V150 PolarHBondContact O-N 2.94Å; A118-V150 HydrophobicContact CB-CG2 3.9Å; I122-V150 HydrophobicContact CD1-CG1 4.45Å; I122-V150 HydrophobicContact CD1-CG2 4.09Å; L129-V150 HydrophobicContact CD1-CG1 4.01Å; L129-V150 HydrophobicContact CD2-CG1 3.98Å; N136-V150 WeakPolarHBondContact O-CA 3.46Å; F137-V150 HydrophobicContact CD1-CG2 3.94Å; F137-V150 HydrophobicContact CE1-CG2 3.59Å; F137-V150 HydrophobicContact CZ-CG2 4.45Å; V150-F153 HydrophobicContact CB-CE1 4.25Å; V150-F153 HydrophobicContact CB-CE2 4.19Å; V150-F153 HydrophobicContact CB-CZ 3.65Å; V150-F153 HydrophobicContact CG1-CD1 4.33Å; V150-F153 HydrophobicContact CG1-CE1 3.69Å; V150-F153 HydrophobicContact CG1-CE2 3.92Å; V150-F153 HydrophobicContact CG1-CZ 3.47Å; V150-F153 VanDerWaalsContact CG1-CZ 3.47Å
151	V	94.8	Very high	93.4	Very high	30 Å²	30	56 Å²	56	18%	0.182	27%	0.274	C	S	.	.			trans	-117.3	-8.8	-170.9	-61.1	0	0	0	0	114.9	V87 N136 A138	V87-V151 HydrophobicContact CG2-CG1 3.61Å; N136-V151 PolarHBondContact O-N 2.82Å; A138-V151 HydrophobicContact CB-CG1 3.77Å
152	D	93	Very high	93.2	Very high	38 Å²	38	54.9 Å²	54.9	20%	0.203	29%	0.289	C	S	.	.			trans	-137.2	117.5	-177.3	-175.5	-17.5	0	0	0	109	N136 S154	N136-D152 HydrophobicContact CB-CB 4.29Å; D152-S154 WeakPolarHBondContact OD1-CB 3.25Å; D152-S154 PolarHBondContact OD1-N 2.9Å; D152-S154 PolarHBondContact OD1-OG 3Å
153	F	95.1	Very high	92.8	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.018	30%	0.302	C	S	.	.			trans	-116.9	11.1	177.3	-64.6	-85.8	0	0	0	111.8	E54 I57 L58 L61 T67 I122 L129 V150 I155 A156	E54-F153 HydrophobicContact CB-CB 4.47Å; E54-F153 HydrophobicContact CG-CB 3.97Å; E54-F153 PolarHBondContact OE2-N 3.33Å; E54-F153 VanDerWaalsContact OE2-N 3.15Å; I57-F153 HydrophobicContact CD1-CB 4.05Å; I57-F153 HydrophobicContact CG2-CB 4.34Å; I57-F153 HydrophobicContact CG2-CD1 3.58Å; I57-F153 HydrophobicContact CG2-CE1 3.91Å; I57-F153 HydrophobicContact CG2-CG 3.93Å; L58-F153 HydrophobicContact CD2-CD2 4.04Å; L58-F153 HydrophobicContact CD2-CE2 3.61Å; L58-F153 HydrophobicContact CD2-CZ 4.49Å; L58-F153 HydrophobicContact CG-CD2 4.43Å; L58-F153 HydrophobicContact CG-CE2 4.45Å; L61-F153 HydrophobicContact CD1-CE1 3.89Å; L61-F153 HydrophobicContact CD1-CZ 4.06Å; T67-F153 HydrophobicContact CG2-CZ 4Å; I122-F153 HydrophobicContact CD1-CE1 3.77Å; I122-F153 HydrophobicContact CD1-CZ 4.47Å; I122-F153 HydrophobicContact CG1-CE1 4.04Å; L129-F153 HydrophobicContact CD1-CD1 3.84Å; L129-F153 HydrophobicContact CD1-CE1 4.19Å; V150-F153 HydrophobicContact CB-CE1 4.25Å; V150-F153 HydrophobicContact CB-CE2 4.19Å; V150-F153 HydrophobicContact CB-CZ 3.65Å; V150-F153 HydrophobicContact CG1-CD1 4.33Å; V150-F153 HydrophobicContact CG1-CE1 3.69Å; V150-F153 HydrophobicContact CG1-CE2 3.92Å; V150-F153 HydrophobicContact CG1-CZ 3.47Å; V150-F153 VanDerWaalsContact CG1-CZ 3.47Å; F153-I155 PolarHBondContact O-N 3.26Å; F153-I155 VanDerWaalsContact O-N 3.11Å; F153-A156 HydrophobicContact CB-CB 4.34Å; F153-A156 HydrophobicContact CD1-CB 4.49Å; F153-A156 WeakPolarHBondContact O-CB 3.5Å; F153-A156 PolarHBondContact O-N 3.37Å
154	S	90.5	Very high	92.5	Very high	27 Å²	27	58 Å²	58	19%	0.189	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-38.5	-170.1	62.3	0	0	0	0	112.4	K53 E54 D152	K53-S154 PolarHBondContact NZ-O 2.86Å; E54-S154 VanDerWaalsContact CD-CA 3.45Å; E54-S154 VanDerWaalsContact CD-N 3.33Å; E54-S154 WeakPolarHBondContact OE1-CA 3.47Å; E54-S154 VanDerWaalsContact OE1-CB 3.31Å; E54-S154 WeakPolarHBondContact OE1-CB 3.17Å; E54-S154 PolarHBondContact OE2-N 2.87Å; D152-S154 WeakPolarHBondContact OD1-CB 3.25Å; D152-S154 PolarHBondContact OD1-N 2.9Å; D152-S154 PolarHBondContact OD1-OG 3Å
155	I	92.6	Very high	92.1	Very high	49 Å²	49	58.5 Å²	58.5	25%	0.251	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	6.7	179.1	78.3	166	0	0	0	114.9	R130 D131 F153 C175	R130-I155 HydrophobicContact CB-CD1 4.33Å; R130-I155 HydrophobicContact CB-CG1 4.42Å; R130-I155 PolarHBondContact NE-O 3.11Å; R130-I155 PolarHBondContact NH2-O 2.61Å; D131-I155 HydrophobicContact CB-CD1 3.59Å; D131-I155 HydrophobicContact CB-CG1 3.84Å; F153-I155 PolarHBondContact O-N 3.26Å; F153-I155 VanDerWaalsContact O-N 3.11Å; I155-C175 HydrophobicContact CD1-CB 4.21Å
156	A	94.5	Very high	91.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.288	C	S	.	.			trans	-57.9	153.9	176.6	0	0	0	0	0	111.6	K53 I57 I128 F153	K53-A156 WeakPolarHBondContact CE-O 3.46Å; K53-A156 PolarHBondContact NZ-O 3.1Å; I57-A156 HydrophobicContact CD1-CB 3.75Å; I128-A156 CarbonylContact O-C 3.46Å; I128-A156 WeakPolarHBondContact O-CA 3.16Å; I128-A156 WeakPolarHBondContact O-CB 3.3Å; F153-A156 HydrophobicContact CB-CB 4.34Å; F153-A156 HydrophobicContact CD1-CB 4.49Å; F153-A156 WeakPolarHBondContact O-CB 3.5Å; F153-A156 PolarHBondContact O-N 3.37Å
157	F	92.9	Very high	89.8	Confident	32 Å²	32	60 Å²	60	14%	0.14	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.6	-176.4	179.5	-100.1	0	0	0	111.2	F127 I128 F159 E168	F127-F157 CarbonylContact C-O 3.43Å; F127-F157 WeakPolarHBondContact CA-O 3.4Å; I128-F157 PolarHBondContact N-O 3.01Å; I128-F157 PolarHBondContact O-N 2.91Å; F157-F159 HydrophobicContact CD1-CB 4.11Å; F157-F159 HydrophobicContact CE1-CB 4.1Å; F157-F159 PolarHBondContact O-N 2.81Å; F157-E168 HydrophobicContact CZ-CG 4.45Å
158	Q	93.5	Very high	87.9	Confident	57 Å²	57	63.2 Å²	63.2	27%	0.266	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	107.5	176.6	-165.1	175.6	11.1	0	0	109.6	G126 F127 R160 I161 I166	G126-Q158 CarbonylContact O-C 3.57Å; G126-Q158 WeakPolarHBondContact O-CA 3.43Å; G126-Q158 WeakPolarHBondContact O-CG 3.47Å; F127-Q158 HydrophobicContact CD1-CB 3.67Å; F127-Q158 HydrophobicContact CD1-CG 3.94Å; F127-Q158 HydrophobicContact CE1-CB 3.56Å; F127-Q158 HydrophobicContact CE1-CG 3.62Å; F127-Q158 HydrophobicContact CZ-CB 4.49Å; F127-Q158 HydrophobicContact CZ-CG 4.07Å; Q158-R160 PolarHBondContact NE2-O 3.36Å; Q158-I161 VanDerWaalsContact NE2-CG1 3.28Å; Q158-I166 HydrophobicContact CB-CD1 4.4Å; Q158-I166 HydrophobicContact CG-CD1 3.99Å
159	F	91.2	Very high	86.2	Confident	22 Å²	22	67.5 Å²	67.5	10%	0.096	34%	0.337	C	S	.	.			trans	-99.3	-9	178.6	77.8	-80.8	0	0	0	112.3	G126 F127 I128 F157 I165 I166 E193	G126-F159 VanDerWaalsContact C-CD1 3.41Å; G126-F159 VanDerWaalsContact O-CD1 3.23Å; G126-F159 WeakPolarHBondContact O-CD1 3.46Å; G126-F159 PolarHBondContact O-N 2.55Å; F127-F159 WeakPolarHBondContact O-CE1 3.41Å; I128-F159 HydrophobicContact CD1-CB 4.06Å; I128-F159 HydrophobicContact CD1-CD1 3.98Å; I128-F159 HydrophobicContact CD1-CG 4.08Å; I128-F159 HydrophobicContact CG1-CD1 3.58Å; I128-F159 HydrophobicContact CG1-CE1 4.05Å; I128-F159 HydrophobicContact CG1-CG 4.19Å; F157-F159 HydrophobicContact CD1-CB 4.11Å; F157-F159 HydrophobicContact CE1-CB 4.1Å; F157-F159 PolarHBondContact O-N 2.81Å; F159-I165 CarbonylContact O-C 3.51Å; F159-I165 WeakPolarHBondContact O-CA 3.38Å; F159-I166 PolarHBondContact O-N 3.3Å; F159-E193 HydrophobicContact CE1-CG 4.15Å; F159-E193 HydrophobicContact CE2-CG 4.43Å; F159-E193 HydrophobicContact CZ-CG 3.89Å; F159-E193 WeakPolarHBondContact CZ-OE1 3.25Å
160	R	90.4	Very high	84.9	Confident	59 Å²	59	74.3 Å²	74.3	22%	0.223	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	137.3	-176.2	-173.8	172.9	69.5	-157.9	3	112.7	H123 D124 G126 Q158 G162 S164	H123-R160 PolarHBondContact O-NH2 2.94Å; D124-R160 PolarHBondContact O-NH2 3.23Å; G126-R160 PolarHBondContact O-N 2.79Å; G126-R160 VanDerWaalsContact O-N 3.17Å; Q158-R160 PolarHBondContact NE2-O 3.36Å; R160-G162 WeakPolarHBondContact CD-O 3.42Å; R160-G162 VanDerWaalsContact CG-O 3.26Å; R160-G162 WeakPolarHBondContact CG-O 3.42Å; R160-S164 WeakPolarHBondContact CA-O 3.21Å
161	I	88.3	Confident	84	Confident	104 Å²	104	80.9 Å²	80.9	53%	0.533	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	112.3	164.9	-68.9	163.7	0	0	0	108.1	Q158 R163 S164 I166	Q158-I161 VanDerWaalsContact NE2-CG1 3.28Å; I161-R163 PolarHBondContact O-N 3.28Å; I161-R163 VanDerWaalsContact O-N 3.14Å; I161-S164 PolarHBondContact N-O 3.3Å; I161-S164 PolarHBondContact O-N 3.31Å; I161-I166 HydrophobicContact CD1-CD1 3.62Å; I161-I166 HydrophobicContact CD1-CG1 4.26Å; I161-I166 HydrophobicContact CG1-CD1 3.76Å; I161-I166 HydrophobicContact CG1-CG1 4.36Å
162	G	86.3	Confident	83.6	Confident	60 Å²	60	80 Å²	80	62%	0.619	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	-116.2	-174.8	0	0	0	0	0	110.6	R160	R160-G162 WeakPolarHBondContact CD-O 3.42Å; R160-G162 VanDerWaalsContact CG-O 3.26Å; R160-G162 WeakPolarHBondContact CG-O 3.42Å
163	R	82.9	Confident	83.5	Confident	249 Å²	249	85.9 Å²	85.9	94%	0.94	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-7.4	174.8	-65.4	-175.9	179.8	171.2	-0.4	113.5	I161	I161-R163 PolarHBondContact O-N 3.28Å; I161-R163 VanDerWaalsContact O-N 3.14Å
164	S	84.7	Confident	83.4	Confident	86 Å²	86	88 Å²	88	60%	0.601	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	118.7	-177.5	-62.5	0	0	0	0	109.8	R160 I161 I166	R160-S164 WeakPolarHBondContact CA-O 3.21Å; I161-S164 PolarHBondContact N-O 3.3Å; I161-S164 PolarHBondContact O-N 3.31Å; S164-I166 PolarHBondContact O-N 3.4Å
165	I	82.9	Confident	83.4	Confident	96 Å²	96	87.8 Å²	87.8	49%	0.492	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	121.8	172.5	-60.6	174.8	0	0	0	108	F159 R167	F159-I165 CarbonylContact O-C 3.51Å; F159-I165 WeakPolarHBondContact O-CA 3.38Å; I165-R167 HydrophobicContact CG2-CB 4.07Å; I165-R167 HydrophobicContact CG2-CG 3.58Å; I165-R167 PolarHBondContact O-N 2.75Å
166	I	79.8	Confident	83.4	Confident	57 Å²	57	86.4 Å²	86.4	29%	0.292	43%	0.428	S	S	.	.			trans	-80.2	89.8	164.7	-50.9	169.9	0	0	0	105.5	Q158 F159 I161 S164	Q158-I166 HydrophobicContact CB-CD1 4.4Å; Q158-I166 HydrophobicContact CG-CD1 3.99Å; F159-I166 PolarHBondContact O-N 3.3Å; I161-I166 HydrophobicContact CD1-CD1 3.62Å; I161-I166 HydrophobicContact CD1-CG1 4.26Å; I161-I166 HydrophobicContact CG1-CD1 3.76Å; I161-I166 HydrophobicContact CG1-CG1 4.36Å; S164-I166 PolarHBondContact O-N 3.4Å
167	R	59.1	Low	83.4	Confident	217 Å²	217	87.6 Å²	87.6	82%	0.819	44%	0.436	S	S	*	.			trans	-95.8	116.9	174.8	-107.9	169.9	-176.3	-173	1.8	109.1	I165	I165-R167 HydrophobicContact CG2-CB 4.07Å; I165-R167 HydrophobicContact CG2-CG 3.58Å; I165-R167 PolarHBondContact O-N 2.75Å
168	E	57.3	Low	83.6	Confident	120 Å²	120	91.3 Å²	91.3	56%	0.561	45%	0.449	S	S	*	.			trans	-94.2	179	163.8	-71.5	-171.2	164.3	0	0	110.1	F157	F157-E168 HydrophobicContact CZ-CG 4.45Å
169	T	63	Low	83.7	Confident	97 Å²	97	93.2 Å²	93.2	60%	0.595	45%	0.454	S	S	*	.			trans	-53.6	152.9	-168.5	50.2	0	0	0	0	114.6	Y171	T169-Y171 PolarHBondContact O-N 2.83Å; T169-Y171 PolarHBondContact OG1-O 2.99Å
170	D	71.4	Confident	84.1	Confident	156 Å²	156	92.5 Å²	92.5	83%	0.834	45%	0.451	S	S	*	.	S	Bend	trans	-58.4	-11.8	175.8	-65	-26.7	0	0	0	114.4	E190	D170-E190 PolarHBondContact O-N 2.84Å
171	Y	80.3	Confident	84.4	Confident	138 Å²	138	89.9 Å²	89.9	54%	0.541	44%	0.442	S	S	.	.	B	Isolated β-bridge	trans	-113.7	133.5	-178.3	-179.7	-90.7	0	0	0	111.6	T169 N188	T169-Y171 PolarHBondContact O-N 2.83Å; T169-Y171 PolarHBondContact OG1-O 2.99Å; Y171-N188 WeakPolarHBondContact CA-O 3.33Å; Y171-N188 HydrophobicContact CD2-CB 3.85Å; Y171-N188 WeakPolarHBondContact CD2-O 3.48Å; Y171-N188 HydrophobicContact CE2-CB 3.37Å; Y171-N188 PolarHBondContact OH-ND2 2.71Å; Y171-N188 VanDerWaalsContact OH-ND2 3.1Å
172	A	85.3	Confident	84.7	Confident	13 Å²	13	85 Å²	85	11%	0.107	42%	0.417	C	S	.	.			trans	-139.4	147.6	171.2	0	0	0	0	0	110.7	N188 E190	A172-N188 PolarHBondContact N-O 3.47Å; A172-N188 CarbonylContact O-C 3.6Å; A172-N188 WeakPolarHBondContact O-CA 3.46Å; A172-N188 WeakPolarHBondContact O-CB 3.38Å; A172-E190 WeakPolarHBondContact CB-OE2 3.35Å
173	E	90.4	Very high	84.9	Confident	160 Å²	160	84.7 Å²	84.7	75%	0.748	40%	0.398	S	S	*	.			trans	-64.7	150	170.4	-70.2	-175	172.6	0	0	111	C175	E173-C175 PolarHBondContact O-N 3.26Å
174	F	93.5	Very high	85.3	Confident	50 Å²	50	73.4 Å²	73.4	22%	0.219	36%	0.356	C	S	.	.			trans	-54.1	127.1	176.4	175.4	-86.4	0	0	0	110.8	G176 R178 A181 A185 H186 I220	F174-G176 WeakPolarHBondContact CE1-O 3.31Å; F174-G176 WeakPolarHBondContact CZ-O 3.39Å; F174-R178 HydrophobicContact CE1-CG 4Å; F174-R178 HydrophobicContact CZ-CB 4.36Å; F174-R178 HydrophobicContact CZ-CG 3.85Å; F174-A181 HydrophobicContact CE2-CB 4.11Å; F174-A181 HydrophobicContact CZ-CB 4.16Å; F174-A185 HydrophobicContact CD2-CB 4.08Å; F174-A185 WeakPolarHBondContact CD2-O 3.27Å; F174-A185 HydrophobicContact CE2-CB 4.02Å; F174-H186 AromaticContact CE2-CE1 3.63Å; F174-H186 AromaticContact CE2-ND1 3.81Å; F174-H186 AromaticContact CE2-NE2 3.92Å; F174-I220 HydrophobicContact CD1-CD1 4.49Å; F174-I220 HydrophobicContact CD2-CG2 3.91Å; F174-I220 HydrophobicContact CE2-CG2 4.36Å; F174-I220 HydrophobicContact CG-CG2 4.31Å
175	C	90.9	Very high	85.7	Confident	21 Å²	21	69.4 Å²	69.4	14%	0.142	33%	0.328	C	S	.	.			trans	-131.1	154.9	173.3	57.9	0	0	0	0	111.4	I155 E173 L191	I155-C175 HydrophobicContact CD1-CB 4.21Å; E173-C175 PolarHBondContact O-N 3.26Å; C175-L191 VanDerWaalsContact SG-CD1 3.59Å
176	G	91.6	Very high	86.3	Confident	21 Å²	21	65 Å²	65	22%	0.216	31%	0.305	C	S	.	.	S	Bend	trans	89.3	-172.9	-180	0	0	0	0	0	115.2	R130 D131 F174	R130-G176 WeakPolarHBondContact O-CA 3.15Å; D131-G176 WeakPolarHBondContact OD1-CA 2.95Å; F174-G176 WeakPolarHBondContact CE1-O 3.31Å; F174-G176 WeakPolarHBondContact CZ-O 3.39Å
177	S	95.2	Very high	86.7	Confident	25 Å²	25	65.4 Å²	65.4	18%	0.175	31%	0.313	C	S	.	.			trans	-74.7	125.3	178.4	173.6	0	0	0	0	112.3	D131 R179 Y180 A181	D131-S177 PolarHBondContact OD1-N 3.19Å; S177-R179 PolarHBondContact O-N 3.01Å; S177-R179 PolarHBondContact OG-N 2.93Å; S177-Y180 PolarHBondContact O-N 2.91Å; S177-Y180 WeakPolarHBondContact OG-CD2 3.28Å; S177-A181 WeakPolarHBondContact O-CB 3.43Å; S177-A181 PolarHBondContact O-N 3.13Å
178	R	96.6	Very high	88.2	Confident	109 Å²	109	56.7 Å²	56.7	41%	0.411	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-35.2	174.4	-64.4	-177.4	-170.2	167.7	6.1	112.6	F174 H186 E218 I220 I223 K227	F174-R178 HydrophobicContact CE1-CG 4Å; F174-R178 HydrophobicContact CZ-CB 4.36Å; F174-R178 HydrophobicContact CZ-CG 3.85Å; R178-H186 PolarHBondContact O-CE1 3.11Å; R178-H186 PolarHBondContact O-NE2 3.2Å; R178-E218 PolarHBondContact NH1-O 3.46Å; R178-I220 HydrophobicContact CG-CG1 4.2Å; R178-I223 HydrophobicContact CB-CD1 3.98Å; R178-I223 WeakPolarHBondContact O-CG2 3.42Å; R178-K227 PolarHBondContact O-NZ 3.21Å
179	R	97.5	Very high	89.6	Confident	98 Å²	98	56.4 Å²	56.4	37%	0.37	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-44.1	179.8	-175.1	175.6	-69.1	176.5	2	112.2	S177 D206 L212 W214 K227	S177-R179 PolarHBondContact O-N 3.01Å; S177-R179 PolarHBondContact OG-N 2.93Å; R179-D206 IonicContact NH1-OD2 3.61Å; R179-L212 HydrophobicContact CG-CD1 3.88Å; R179-W214 PolarHBondContact O-NE1 2.78Å; R179-K227 WeakPolarHBondContact O-CE 3.41Å; R179-K227 PolarHBondContact O-NZ 2.76Å
180	Y	98.1	Very high	90.8	Very high	6 Å²	6	54 Å²	54	2%	0.024	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-23.6	-170	-52.6	-66.9	0	0	0	114.7	V132 R133 P134 S177 S199 Y202 M203 D206 L212	V132-Y180 VanDerWaalsContact O-CB 3.23Å; V132-Y180 WeakPolarHBondContact O-CB 3.33Å; R133-Y180 HydrophobicContact CB-CD2 3.34Å; R133-Y180 HydrophobicContact CB-CE2 3.71Å; R133-Y180 HydrophobicContact CB-CG 4.24Å; P134-Y180 VanDerWaalsContact CD-CZ 3.48Å; P134-Y180 HydrophobicContact CG-CE2 4.31Å; S177-Y180 PolarHBondContact O-N 2.91Å; S177-Y180 WeakPolarHBondContact OG-CD2 3.28Å; Y180-S199 WeakPolarHBondContact O-CA 3.35Å; Y180-S199 VanDerWaalsContact O-CB 3.23Å; Y180-S199 WeakPolarHBondContact O-CB 3.4Å; Y180-S199 PolarHBondContact O-OG 2.93Å; Y180-Y202 VanDerWaalsContact O-CD2 3.28Å; Y180-Y202 WeakPolarHBondContact O-CD2 3.46Å; Y180-M203 HydrophobicContact CD1-CB 4.08Å; Y180-M203 HydrophobicContact CE1-CB 4.39Å; Y180-D206 HydrophobicContact CE1-CB 3.86Å; Y180-D206 WeakPolarHBondContact CE1-OD2 3.18Å; Y180-D206 PolarHBondContact OH-OD2 3.01Å; Y180-L212 HydrophobicContact CD1-CD1 4.4Å; Y180-L212 HydrophobicContact CE1-CD1 4.39Å
181	A	96.5	Very high	91.7	Very high	5 Å²	5	47.2 Å²	47.2	4%	0.041	22%	0.221	C	C	.	.	S	Bend	trans	-56	142.5	-179.1	0	0	0	0	0	111.9	F174 S177 A185 K227	F174-A181 HydrophobicContact CE2-CB 4.11Å; F174-A181 HydrophobicContact CZ-CB 4.16Å; S177-A181 WeakPolarHBondContact O-CB 3.43Å; S177-A181 PolarHBondContact O-N 3.13Å; A181-A185 HydrophobicContact CB-CB 3.8Å; A181-K227 PolarHBondContact O-NZ 3.14Å
182	S	94.6	Very high	92.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.007	20%	0.204	C	C	.	.			trans	-58.8	165.6	178.3	77.8	0	0	0	0	112.4	N184 A185 H186 D195 S199	S182-N184 PolarHBondContact O-N 3.4Å; S182-N184 PolarHBondContact OG-N 2.75Å; S182-A185 WeakPolarHBondContact O-CB 3.45Å; S182-A185 PolarHBondContact O-N 3.48Å; S182-H186 PolarHBondContact O-CD2 2.91Å; S182-D195 WeakPolarHBondContact CB-OD1 3.25Å; S182-D195 WeakPolarHBondContact OG-CB 3.34Å; S182-D195 VanDerWaalsContact OG-CG 3.22Å; S182-D195 PolarHBondContact OG-OD1 3.46Å; S182-S199 PolarHBondContact N-OG 3.5Å
183	Y	92.2	Very high	92.4	Very high	54 Å²	54	44.2 Å²	44.2	21%	0.212	22%	0.215	C	C	.	.	H	α-helix	trans	-60	-32	177.2	93.6	-89.9	0	0	0	112.4	A185 H186 C187 R189	Y183-A185 VanDerWaalsContact C-N 3.29Å; Y183-A185 PolarHBondContact O-N 2.84Å; Y183-H186 PolarHBondContact O-N 3.01Å; Y183-H186 VanDerWaalsContact O-N 3.12Å; Y183-C187 PolarHBondContact O-N 2.86Å; Y183-R189 PolarHBondContact OH-NH1 2.8Å
184	N	90.5	Very high	92.5	Very high	12 Å²	12	39 Å²	39	6%	0.064	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-36.9	-180	-73.7	-40.8	0	0	0	112	S182 H186 C187 N188 R189 L191 H194 D195	S182-N184 PolarHBondContact O-N 3.4Å; S182-N184 PolarHBondContact OG-N 2.75Å; N184-H186 VanDerWaalsContact C-N 3.3Å; N184-H186 PolarHBondContact O-N 2.9Å; N184-C187 CarbonylContact O-C 3.53Å; N184-C187 WeakPolarHBondContact O-CA 3.33Å; N184-C187 PolarHBondContact O-N 3.36Å; N184-N188 PolarHBondContact O-N 3.36Å; N184-R189 HydrophobicContact CB-CB 4.14Å; N184-R189 PolarHBondContact O-N 3.43Å; N184-R189 VanDerWaalsContact O-N 3.12Å; N184-R189 WeakPolarHBondContact OD1-CD 3.28Å; N184-R189 PolarHBondContact OD1-NH1 3.45Å; N184-L191 HydrophobicContact CB-CD2 4.09Å; N184-H194 PolarHBondContact ND2-NE2 2.77Å; N184-H194 VanDerWaalsContact ND2-NE2 3.19Å; N184-D195 WeakPolarHBondContact CB-OD1 3.44Å; N184-D195 PolarHBondContact ND2-OD1 2.87Å
185	A	93.6	Very high	92.5	Very high	2 Å²	2	36.6 Å²	36.6	2%	0.017	18%	0.18	C	C	.	.	H	α-helix	trans	-59.4	-41.3	175.2	0	0	0	0	0	111.8	F174 A181 S182 Y183 C187 N188 L191	F174-A185 HydrophobicContact CD2-CB 4.08Å; F174-A185 WeakPolarHBondContact CD2-O 3.27Å; F174-A185 HydrophobicContact CE2-CB 4.02Å; A181-A185 HydrophobicContact CB-CB 3.8Å; S182-A185 WeakPolarHBondContact O-CB 3.45Å; S182-A185 PolarHBondContact O-N 3.48Å; Y183-A185 VanDerWaalsContact C-N 3.29Å; Y183-A185 PolarHBondContact O-N 2.84Å; A185-C187 PolarHBondContact O-N 3.21Å; A185-N188 PolarHBondContact O-N 3.48Å; A185-L191 HydrophobicContact CB-CD1 4.29Å; A185-L191 HydrophobicContact CB-CD2 3.93Å
186	H	93.8	Very high	92.8	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.014	17%	0.174	C	C	.	.	H	α-helix	trans	-72.5	-14.4	177.2	-60.8	-86.4	0	0	0	113.3	F174 R178 S182 Y183 N184 I220 G224 K227	F174-H186 AromaticContact CE2-CE1 3.63Å; F174-H186 AromaticContact CE2-ND1 3.81Å; F174-H186 AromaticContact CE2-NE2 3.92Å; R178-H186 PolarHBondContact O-CE1 3.11Å; R178-H186 PolarHBondContact O-NE2 3.2Å; S182-H186 PolarHBondContact O-CD2 2.91Å; Y183-H186 PolarHBondContact O-N 3.01Å; Y183-H186 VanDerWaalsContact O-N 3.12Å; N184-H186 VanDerWaalsContact C-N 3.3Å; N184-H186 PolarHBondContact O-N 2.9Å; H186-I220 HydrophobicContact CB-CG2 4.48Å; H186-I220 PolarHBondContact ND1-O 3.06Å; H186-G224 VanDerWaalsContact CB-CA 3.47Å; H186-K227 PolarHBondContact NE2-NZ 3.46Å
187	C	88.8	Confident	93.1	Very high	66 Å²	66	36.8 Å²	36.8	45%	0.446	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	10.3	174.3	-66.8	0	0	0	0	112.8	Y183 N184 A185 R189	Y183-C187 PolarHBondContact O-N 2.86Å; N184-C187 CarbonylContact O-C 3.53Å; N184-C187 WeakPolarHBondContact O-CA 3.33Å; N184-C187 PolarHBondContact O-N 3.36Å; A185-C187 PolarHBondContact O-N 3.21Å; C187-R189 HydrophobicContact CB-CG 4.21Å; C187-R189 PolarHBondContact O-N 2.94Å
188	N	90	Very high	93.1	Very high	33 Å²	33	35.8 Å²	35.8	18%	0.176	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	37.5	-179.9	-66.1	62.5	0	0	0	113.2	Y171 A172 N184 A185	Y171-N188 WeakPolarHBondContact CA-O 3.33Å; Y171-N188 HydrophobicContact CD2-CB 3.85Å; Y171-N188 WeakPolarHBondContact CD2-O 3.48Å; Y171-N188 HydrophobicContact CE2-CB 3.37Å; Y171-N188 PolarHBondContact OH-ND2 2.71Å; Y171-N188 VanDerWaalsContact OH-ND2 3.1Å; A172-N188 PolarHBondContact N-O 3.47Å; A172-N188 CarbonylContact O-C 3.6Å; A172-N188 WeakPolarHBondContact O-CA 3.46Å; A172-N188 WeakPolarHBondContact O-CB 3.38Å; N184-N188 PolarHBondContact O-N 3.36Å; A185-N188 PolarHBondContact O-N 3.48Å
189	R	87.9	Confident	93.2	Very high	114 Å²	114	30.9 Å²	30.9	43%	0.43	15%	0.149	S	C	.	.	B	Isolated β-bridge	trans	-92.7	150.4	174.2	-64.9	179.2	-178	172.6	-3.2	110	Y183 N184 C187 L191	Y183-R189 PolarHBondContact OH-NH1 2.8Å; N184-R189 HydrophobicContact CB-CB 4.14Å; N184-R189 PolarHBondContact O-N 3.43Å; N184-R189 VanDerWaalsContact O-N 3.12Å; N184-R189 WeakPolarHBondContact OD1-CD 3.28Å; N184-R189 PolarHBondContact OD1-NH1 3.45Å; C187-R189 HydrophobicContact CB-CG 4.21Å; C187-R189 PolarHBondContact O-N 2.94Å; R189-L191 PolarHBondContact O-N 3.03Å
190	E	87.3	Confident	93.2	Very high	47 Å²	47	26.4 Å²	26.4	22%	0.22	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-58.8	135.4	167.7	-170.9	54.9	-117.2	0	0	109.8	D170 A172	D170-E190 PolarHBondContact O-N 2.84Å; A172-E190 WeakPolarHBondContact CB-OE2 3.35Å
191	L	90.3	Very high	93.2	Very high	13 Å²	13	27 Å²	27	7%	0.068	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-88.4	143.3	-174	-59.9	-173	0	0	0	110.3	I128 R130 C175 N184 A185 R189 D195	I128-L191 WeakPolarHBondContact CD1-O 3.34Å; R130-L191 HydrophobicContact CB-CD1 4.18Å; R130-L191 HydrophobicContact CG-CB 4.46Å; R130-L191 HydrophobicContact CG-CD1 4.08Å; C175-L191 VanDerWaalsContact SG-CD1 3.59Å; N184-L191 HydrophobicContact CB-CD2 4.09Å; A185-L191 HydrophobicContact CB-CD1 4.29Å; A185-L191 HydrophobicContact CB-CD2 3.93Å; R189-L191 PolarHBondContact O-N 3.03Å; L191-D195 WeakPolarHBondContact CA-OD2 3.45Å; L191-D195 HydrophobicContact CB-CB 4.17Å; L191-D195 HydrophobicContact CD2-CB 4.12Å
192	G	89.9	Confident	93.3	Very high	18 Å²	18	26.9 Å²	26.9	19%	0.186	13%	0.133	C	C	.	.			trans	-110.2	176.7	173.4	0	0	0	0	0	112.9	H194 D195	G192-H194 PolarHBondContact O-N 3.24Å; G192-D195 PolarHBondContact N-OD2 3.44Å; G192-D195 WeakPolarHBondContact O-CB 3.39Å; G192-D195 PolarHBondContact O-N 3.4Å
193	E	92.2	Very high	93.5	Very high	71 Å²	71	26.8 Å²	26.8	33%	0.332	13%	0.133	S	C	.	.	H	α-helix	trans	-55.4	-36.8	173.7	-64	160.5	124.8	0	0	111.5	H123 I128 F159 D195 D196 M197	H123-E193 HydrophobicContact CB-CG 4.03Å; H123-E193 PolarHBondContact CE1-O 3.41Å; H123-E193 VanDerWaalsContact CE1-O 3.31Å; I128-E193 HydrophobicContact CG1-CG 4.42Å; F159-E193 HydrophobicContact CE1-CG 4.15Å; F159-E193 HydrophobicContact CE2-CG 4.43Å; F159-E193 HydrophobicContact CZ-CG 3.89Å; F159-E193 WeakPolarHBondContact CZ-OE1 3.25Å; E193-D195 PolarHBondContact O-N 2.8Å; E193-D196 PolarHBondContact O-N 3.39Å; E193-M197 PolarHBondContact O-N 3.49Å
194	H	91.7	Very high	93.8	Very high	49 Å²	49	24.8 Å²	24.8	23%	0.227	13%	0.126	C	C	.	.	H	α-helix	trans	-64.8	-26.5	177.3	69.1	-74.1	0	0	0	112.9	N184 G192 M197 I198	N184-H194 PolarHBondContact ND2-NE2 2.77Å; N184-H194 VanDerWaalsContact ND2-NE2 3.19Å; G192-H194 PolarHBondContact O-N 3.24Å; H194-M197 PolarHBondContact O-N 2.94Å; H194-I198 WeakPolarHBondContact O-CG1 3.34Å; H194-I198 PolarHBondContact O-N 2.73Å
195	D	93.9	Very high	94.2	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-73.4	-34.6	178.6	-68.8	-60.6	0	0	0	111.9	S182 N184 L191 G192 E193 M197 S199	S182-D195 WeakPolarHBondContact CB-OD1 3.25Å; S182-D195 WeakPolarHBondContact OG-CB 3.34Å; S182-D195 VanDerWaalsContact OG-CG 3.22Å; S182-D195 PolarHBondContact OG-OD1 3.46Å; N184-D195 WeakPolarHBondContact CB-OD1 3.44Å; N184-D195 PolarHBondContact ND2-OD1 2.87Å; L191-D195 WeakPolarHBondContact CA-OD2 3.45Å; L191-D195 HydrophobicContact CB-CB 4.17Å; L191-D195 HydrophobicContact CD2-CB 4.12Å; G192-D195 PolarHBondContact N-OD2 3.44Å; G192-D195 WeakPolarHBondContact O-CB 3.39Å; G192-D195 PolarHBondContact O-N 3.4Å; E193-D195 PolarHBondContact O-N 2.8Å; D195-M197 VanDerWaalsContact C-N 3.33Å; D195-S199 WeakPolarHBondContact O-CB 3.34Å; D195-S199 PolarHBondContact O-N 3.2Å; D195-S199 PolarHBondContact O-OG 3.48Å
196	D	97.3	Very high	94.4	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-62.9	-43.3	169.6	-80.9	-18.1	0	0	0	110.4	L119 H123 I128 L129 R130 V132 E193 S199 L200	L119-D196 HydrophobicContact CD1-CB 4.25Å; L119-D196 HydrophobicContact CD2-CB 4.09Å; H123-D196 IonicContact CD2-OD2 3.74Å; H123-D196 IonicContact CE1-OD2 3.87Å; H123-D196 IonicContact NE2-OD2 2.85Å; H123-D196 PolarHBondContact NE2-OD2 2.73Å; I128-D196 VanDerWaalsContact CG2-OD2 3.25Å; I128-D196 WeakPolarHBondContact CG2-OD2 3.43Å; L129-D196 PolarHBondContact N-OD2 2.81Å; R130-D196 WeakPolarHBondContact CA-OD1 3.3Å; R130-D196 PolarHBondContact N-OD1 2.79Å; V132-D196 HydrophobicContact CG2-CB 3.96Å; E193-D196 PolarHBondContact O-N 3.39Å; D196-S199 WeakPolarHBondContact O-CB 3.36Å; D196-S199 PolarHBondContact O-N 2.9Å; D196-L200 PolarHBondContact O-N 2.93Å
197	M	97.2	Very high	94.6	Very high	45 Å²	45	24 Å²	24	22%	0.222	12%	0.121	C	C	.	.	H	α-helix	trans	-63.3	-48.9	177.7	-64.6	-54.6	-68.8	0	0	111.2	A116 L119 E193 H194 D195 S199 L200 F201 L250	A116-M197 HydrophobicContact CB-CE 4.26Å; L119-M197 HydrophobicContact CB-SD 4.4Å; L119-M197 HydrophobicContact CD1-SD 4.01Å; E193-M197 PolarHBondContact O-N 3.49Å; H194-M197 PolarHBondContact O-N 2.94Å; D195-M197 VanDerWaalsContact C-N 3.33Å; M197-S199 PolarHBondContact O-N 2.83Å; M197-L200 HydrophobicContact CE-CD2 4.2Å; M197-L200 WeakPolarHBondContact O-CA 3.44Å; M197-L200 VanDerWaalsContact O-CB 3.3Å; M197-L200 WeakPolarHBondContact O-CB 3.25Å; M197-L200 PolarHBondContact O-N 3.17Å; M197-L200 HydrophobicContact SD-CD2 4.49Å; M197-F201 VanDerWaalsContact O-CD2 3.26Å; M197-F201 WeakPolarHBondContact O-CD2 3.33Å; M197-F201 PolarHBondContact O-N 2.77Å; M197-L250 HydrophobicContact CB-CD1 4.05Å
198	I	96	Very high	95.1	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.021	11%	0.105	C	C	.	.	H	α-helix	trans	-54.2	-41.7	174.3	-72.2	166.3	0	0	0	111.1	H194 L200 F201 Y202 Y247	H194-I198 WeakPolarHBondContact O-CG1 3.34Å; H194-I198 PolarHBondContact O-N 2.73Å; I198-L200 VanDerWaalsContact C-N 3.34Å; I198-L200 PolarHBondContact O-N 3.44Å; I198-F201 WeakPolarHBondContact O-CB 3.43Å; I198-F201 PolarHBondContact O-N 3.42Å; I198-Y202 HydrophobicContact CG2-CD2 4.21Å; I198-Y202 HydrophobicContact CG2-CE1 4.26Å; I198-Y202 HydrophobicContact CG2-CE2 3.61Å; I198-Y202 PolarHBondContact O-N 3.07Å; I198-Y202 VanDerWaalsContact O-N 3.09Å; I198-Y247 HydrophobicContact CG2-CE2 4.32Å
199	S	97.9	Very high	95.4	Very high	5 Å²	5	22 Å²	22	4%	0.035	10%	0.104	C	C	.	.	H	α-helix	trans	-65.7	-37.4	178.7	-55.4	0	0	0	0	112.2	Y180 S182 D195 D196 M197 Y202 M203	Y180-S199 WeakPolarHBondContact O-CA 3.35Å; Y180-S199 VanDerWaalsContact O-CB 3.23Å; Y180-S199 WeakPolarHBondContact O-CB 3.4Å; Y180-S199 PolarHBondContact O-OG 2.93Å; S182-S199 PolarHBondContact N-OG 3.5Å; D195-S199 WeakPolarHBondContact O-CB 3.34Å; D195-S199 PolarHBondContact O-N 3.2Å; D195-S199 PolarHBondContact O-OG 3.48Å; D196-S199 WeakPolarHBondContact O-CB 3.36Å; D196-S199 PolarHBondContact O-N 2.9Å; M197-S199 PolarHBondContact O-N 2.83Å; S199-Y202 PolarHBondContact O-N 3.15Å; S199-M203 WeakPolarHBondContact O-CB 2.9Å; S199-M203 PolarHBondContact O-N 2.89Å
200	L	98.5	Very high	95.8	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.021	10%	0.096	C	C	.	.	H	α-helix	trans	-59.5	-47.2	170.8	174.2	59.1	0	0	0	110.8	C115 A116 L119 V132 D196 M197 I198 Y202 M203 L204	C115-L200 HydrophobicContact CB-CD1 3.56Å; C115-L200 HydrophobicContact CB-CD2 4.23Å; A116-L200 HydrophobicContact CB-CD2 3.93Å; L119-L200 HydrophobicContact CD1-CB 4.16Å; L119-L200 HydrophobicContact CD1-CD2 4.1Å; V132-L200 HydrophobicContact CG1-CB 4.04Å; D196-L200 PolarHBondContact O-N 2.93Å; M197-L200 HydrophobicContact CE-CD2 4.2Å; M197-L200 WeakPolarHBondContact O-CA 3.44Å; M197-L200 VanDerWaalsContact O-CB 3.3Å; M197-L200 WeakPolarHBondContact O-CB 3.25Å; M197-L200 PolarHBondContact O-N 3.17Å; M197-L200 HydrophobicContact SD-CD2 4.49Å; I198-L200 VanDerWaalsContact C-N 3.34Å; I198-L200 PolarHBondContact O-N 3.44Å; L200-Y202 VanDerWaalsContact C-N 3.35Å; L200-Y202 PolarHBondContact O-N 3.29Å; L200-M203 HydrophobicContact CD1-CE 3.43Å; L200-M203 VanDerWaalsContact CD1-CE 3.43Å; L200-M203 WeakPolarHBondContact O-CB 3.11Å; L200-M203 PolarHBondContact O-N 3.23Å; L200-M203 VanDerWaalsContact O-N 3.1Å; L200-L204 HydrophobicContact CD1-CD1 4.2Å; L200-L204 HydrophobicContact CD1-CD2 4.07Å; L200-L204 HydrophobicContact CD1-CG 3.93Å; L200-L204 HydrophobicContact CG-CD1 4.24Å; L200-L204 HydrophobicContact CG-CG 4.35Å; L200-L204 WeakPolarHBondContact O-CG 3.13Å; L200-L204 PolarHBondContact O-N 2.94Å
201	F	98.1	Very high	96.2	Very high	19 Å²	19	22.4 Å²	22.4	8%	0.083	12%	0.115	C	C	.	.	H	α-helix	trans	-58	-44.7	177.6	-84.7	-96.3	0	0	0	112.4	M197 I198 M203 L204 A205 F236 L243 T246 Y247 L250	M197-F201 VanDerWaalsContact O-CD2 3.26Å; M197-F201 WeakPolarHBondContact O-CD2 3.33Å; M197-F201 PolarHBondContact O-N 2.77Å; I198-F201 WeakPolarHBondContact O-CB 3.43Å; I198-F201 PolarHBondContact O-N 3.42Å; F201-M203 VanDerWaalsContact C-N 3.33Å; F201-M203 PolarHBondContact O-N 3.35Å; F201-L204 PolarHBondContact O-N 3.43Å; F201-A205 WeakPolarHBondContact O-CB 3.06Å; F201-A205 PolarHBondContact O-N 3.12Å; F201-F236 HydrophobicContact CB-CE1 4.04Å; F201-F236 HydrophobicContact CB-CZ 4.04Å; F201-F236 AromaticContact CD1-CE1 3.96Å; F201-F236 HydrophobicContact CD1-CE1 3.96Å; F201-F236 AromaticContact CD1-CZ 3.91Å; F201-F236 HydrophobicContact CD1-CZ 3.91Å; F201-F236 HydrophobicContact CG-CZ 4.43Å; F201-L243 HydrophobicContact CD1-CD2 3.58Å; F201-L243 HydrophobicContact CD1-CG 4.07Å; F201-L243 HydrophobicContact CE1-CD2 3.72Å; F201-L243 HydrophobicContact CE1-CG 3.72Å; F201-L243 VanDerWaalsContact CE1-O 3.28Å; F201-L243 WeakPolarHBondContact CE1-O 3.4Å; F201-T246 HydrophobicContact CE1-CG2 4.45Å; F201-T246 HydrophobicContact CE2-CG2 4.45Å; F201-T246 HydrophobicContact CZ-CG2 3.65Å; F201-Y247 HydrophobicContact CB-CD2 4.05Å; F201-Y247 HydrophobicContact CD1-CD2 4.4Å; F201-Y247 HydrophobicContact CG-CD2 4.2Å; F201-L250 HydrophobicContact CD2-CD1 3.89Å; F201-L250 HydrophobicContact CE2-CD1 3.37Å; F201-L250 HydrophobicContact CZ-CD1 4.06Å
202	Y	98.4	Very high	96.6	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.008	11%	0.114	C	C	.	.	H	α-helix	trans	-64	-38.7	175.2	-63.3	-18.3	0	0	0	112.4	Y180 I198 S199 L200 D206 W214 K227 I235 Y247	Y180-Y202 VanDerWaalsContact O-CD2 3.28Å; Y180-Y202 WeakPolarHBondContact O-CD2 3.46Å; I198-Y202 HydrophobicContact CG2-CD2 4.21Å; I198-Y202 HydrophobicContact CG2-CE1 4.26Å; I198-Y202 HydrophobicContact CG2-CE2 3.61Å; I198-Y202 PolarHBondContact O-N 3.07Å; I198-Y202 VanDerWaalsContact O-N 3.09Å; S199-Y202 PolarHBondContact O-N 3.15Å; L200-Y202 VanDerWaalsContact C-N 3.35Å; L200-Y202 PolarHBondContact O-N 3.29Å; Y202-D206 WeakPolarHBondContact O-CB 3.38Å; Y202-D206 PolarHBondContact O-N 2.95Å; Y202-W214 AromaticContact CD1-CH2 3.74Å; Y202-W214 HydrophobicContact CD1-CH2 3.74Å; Y202-W214 AromaticContact CD1-CZ2 3.89Å; Y202-W214 HydrophobicContact CD1-CZ2 3.89Å; Y202-W214 HydrophobicContact CD2-CH2 4.2Å; Y202-W214 AromaticContact CD2-CZ2 3.76Å; Y202-W214 HydrophobicContact CD2-CZ2 3.76Å; Y202-W214 AromaticContact CE1-CH2 3.56Å; Y202-W214 HydrophobicContact CE1-CH2 3.56Å; Y202-W214 HydrophobicContact CE1-CZ2 4.08Å; Y202-W214 HydrophobicContact CE2-CH2 4.05Å; Y202-W214 AromaticContact CE2-CZ2 3.96Å; Y202-W214 HydrophobicContact CE2-CZ2 3.96Å; Y202-W214 HydrophobicContact CG-CH2 4.07Å; Y202-W214 AromaticContact CG-CZ2 3.73Å; Y202-W214 HydrophobicContact CG-CZ2 3.73Å; Y202-W214 AromaticContact CZ-CH2 3.71Å; Y202-K227 HydrophobicContact CE2-CD 3.91Å; Y202-K227 HydrophobicContact CE2-CG 4.15Å; Y202-I235 HydrophobicContact CD1-CG2 4.11Å; Y202-I235 HydrophobicContact CE1-CD1 4.12Å; Y202-I235 HydrophobicContact CE1-CG2 4.37Å; Y202-Y247 AromaticContact CE1-CE2 3.7Å; Y202-Y247 HydrophobicContact CE1-CE2 3.7Å; Y202-Y247 AromaticContact CE1-CZ 3.95Å; Y202-Y247 PolarHBondContact OH-OH 3.23Å; Y202-Y247 VanDerWaalsContact OH-OH 3.04Å
203	M	98.6	Very high	97	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.3	-48.3	174.8	-178.5	177.3	67.2	0	0	111.3	C115 V132 P134 F137 Y180 S199 L200 F201 A205 D206 L207	C115-M203 HydrophobicContact CB-CE 4.46Å; V132-M203 HydrophobicContact CG1-CE 4.17Å; P134-M203 HydrophobicContact CG-CG 3.83Å; P134-M203 HydrophobicContact CG-SD 4.01Å; P134-M203 VanDerWaalsContact N-SD 3.42Å; F137-M203 HydrophobicContact CD2-CE 3.91Å; F137-M203 HydrophobicContact CD2-SD 3.92Å; F137-M203 HydrophobicContact CE2-CE 3.89Å; F137-M203 HydrophobicContact CE2-SD 4.16Å; Y180-M203 HydrophobicContact CD1-CB 4.08Å; Y180-M203 HydrophobicContact CE1-CB 4.39Å; S199-M203 WeakPolarHBondContact O-CB 2.9Å; S199-M203 PolarHBondContact O-N 2.89Å; L200-M203 HydrophobicContact CD1-CE 3.43Å; L200-M203 VanDerWaalsContact CD1-CE 3.43Å; L200-M203 WeakPolarHBondContact O-CB 3.11Å; L200-M203 PolarHBondContact O-N 3.23Å; L200-M203 VanDerWaalsContact O-N 3.1Å; F201-M203 VanDerWaalsContact C-N 3.33Å; F201-M203 PolarHBondContact O-N 3.35Å; M203-A205 PolarHBondContact O-N 2.82Å; M203-D206 PolarHBondContact O-N 2.98Å; M203-L207 HydrophobicContact CG-CD1 4.01Å; M203-L207 HydrophobicContact CG-CG 4.27Å; M203-L207 WeakPolarHBondContact O-CB 3.5Å; M203-L207 VanDerWaalsContact O-CG 3.26Å; M203-L207 WeakPolarHBondContact O-CG 3.49Å; M203-L207 PolarHBondContact O-N 2.76Å
204	L	98.6	Very high	97.3	Very high	11 Å²	11	20.8 Å²	20.8	6%	0.058	11%	0.108	C	C	.	.	H	α-helix	trans	-62	-44.2	-179.9	-63.2	-178.1	0	0	0	112	V108 I111 L200 F201 D206 L207 Y208	V108-L204 HydrophobicContact CG1-CB 3.79Å; V108-L204 HydrophobicContact CG1-CD2 3.92Å; V108-L204 HydrophobicContact CG1-CG 4.37Å; V108-L204 WeakPolarHBondContact CG1-O 3.23Å; I111-L204 HydrophobicContact CB-CD2 4.45Å; I111-L204 HydrophobicContact CG2-CD2 4.02Å; L200-L204 HydrophobicContact CD1-CD1 4.2Å; L200-L204 HydrophobicContact CD1-CD2 4.07Å; L200-L204 HydrophobicContact CD1-CG 3.93Å; L200-L204 HydrophobicContact CG-CD1 4.24Å; L200-L204 HydrophobicContact CG-CG 4.35Å; L200-L204 WeakPolarHBondContact O-CG 3.13Å; L200-L204 PolarHBondContact O-N 2.94Å; F201-L204 PolarHBondContact O-N 3.43Å; L204-D206 PolarHBondContact O-N 3.32Å; L204-L207 PolarHBondContact O-N 2.85Å; L204-Y208 WeakPolarHBondContact O-CB 3.19Å; L204-Y208 PolarHBondContact O-N 3.3Å
205	A	98.5	Very high	97.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.9	-46.8	175.5	0	0	0	0	0	112.1	F201 M203 Y208 L209 L212 I235 F236	F201-A205 WeakPolarHBondContact O-CB 3.06Å; F201-A205 PolarHBondContact O-N 3.12Å; M203-A205 PolarHBondContact O-N 2.82Å; A205-Y208 PolarHBondContact O-N 3.49Å; A205-L209 WeakPolarHBondContact O-CB 3.03Å; A205-L209 PolarHBondContact O-N 2.87Å; A205-L212 HydrophobicContact CB-CD2 3.83Å; A205-I235 HydrophobicContact CB-CG2 4.11Å; A205-I235 WeakPolarHBondContact CB-O 3.25Å; A205-F236 HydrophobicContact CB-CD1 3.79Å; A205-F236 HydrophobicContact CB-CE1 4.04Å
206	D	98.3	Very high	97.4	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-65.8	-40.3	177.4	-177.5	32.8	0	0	0	112.5	R95 R179 Y180 Y202 M203 L204 Y208 G210 K211 L212	R95-D206 IonicContact CZ-OD1 3.21Å; R95-D206 IonicContact CZ-OD2 3.8Å; R95-D206 VanDerWaalsContact NH1-CG 3.34Å; R95-D206 IonicContact NH1-OD1 3.59Å; R95-D206 IonicContact NH1-OD2 2.77Å; R95-D206 PolarHBondContact NH1-OD2 2.91Å; R95-D206 IonicContact NH2-OD1 3.5Å; R95-D206 PolarHBondContact NH2-OD1 3.39Å; R95-D206 IonicContact NH2-OD2 3.89Å; R95-D206 PolarHBondContact NH2-OD2 3.04Å; R179-D206 IonicContact NH1-OD2 3.61Å; Y180-D206 HydrophobicContact CE1-CB 3.86Å; Y180-D206 WeakPolarHBondContact CE1-OD2 3.18Å; Y180-D206 PolarHBondContact OH-OD2 3.01Å; Y202-D206 WeakPolarHBondContact O-CB 3.38Å; Y202-D206 PolarHBondContact O-N 2.95Å; M203-D206 PolarHBondContact O-N 2.98Å; L204-D206 PolarHBondContact O-N 3.32Å; D206-Y208 PolarHBondContact O-N 3.32Å; D206-G210 WeakPolarHBondContact O-CA 3.46Å; D206-G210 PolarHBondContact O-N 2.61Å; D206-K211 PolarHBondContact OD1-N 3.19Å; D206-L212 HydrophobicContact CB-CD1 3.96Å; D206-L212 HydrophobicContact CB-CD2 4.49Å; D206-L212 HydrophobicContact CB-CG 3.93Å
207	L	98.4	Very high	97.3	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.7	-34.3	176.4	-71.9	179.3	0	0	0	111.8	L91 F103 V108 I111 P134 M203 L204	L91-L207 HydrophobicContact CD1-CD1 4.27Å; F103-L207 HydrophobicContact CD2-CB 4.06Å; F103-L207 HydrophobicContact CD2-CD1 4.33Å; F103-L207 HydrophobicContact CD2-CD2 4.06Å; F103-L207 HydrophobicContact CD2-CG 4.37Å; F103-L207 HydrophobicContact CE2-CD1 4.34Å; F103-L207 HydrophobicContact CE2-CD2 3.77Å; F103-L207 HydrophobicContact CE2-CG 4.46Å; F103-L207 PolarHBondContact N-O 2.96Å; V108-L207 HydrophobicContact CG2-CB 4.08Å; I111-L207 HydrophobicContact CD1-CD1 4.27Å; I111-L207 HydrophobicContact CG2-CD1 4.23Å; P134-L207 HydrophobicContact CB-CD2 4.32Å; P134-L207 HydrophobicContact CG-CD2 3.93Å; P134-L207 HydrophobicContact CG-CG 4.42Å; M203-L207 HydrophobicContact CG-CD1 4.01Å; M203-L207 HydrophobicContact CG-CG 4.27Å; M203-L207 WeakPolarHBondContact O-CB 3.5Å; M203-L207 VanDerWaalsContact O-CG 3.26Å; M203-L207 WeakPolarHBondContact O-CG 3.49Å; M203-L207 PolarHBondContact O-N 2.76Å; L204-L207 PolarHBondContact O-N 2.85Å
208	Y	97.9	Very high	97.1	Very high	26 Å²	26	30.4 Å²	30.4	10%	0.102	18%	0.178	C	C	.	.	H	α-helix	trans	-83	-48	179.5	179	-124.5	0	0	0	113.5	R102 L105 L204 A205 D206 D238 M239	R102-Y208 VanDerWaalsContact CZ-O 3.29Å; R102-Y208 PolarHBondContact NE-O 2.86Å; R102-Y208 PolarHBondContact NH2-O 3.17Å; L105-Y208 HydrophobicContact CB-CD2 4.17Å; L105-Y208 HydrophobicContact CB-CE2 3.76Å; L105-Y208 HydrophobicContact CD1-CD2 4.41Å; L105-Y208 HydrophobicContact CD1-CE2 4.42Å; L204-Y208 WeakPolarHBondContact O-CB 3.19Å; L204-Y208 PolarHBondContact O-N 3.3Å; A205-Y208 PolarHBondContact O-N 3.49Å; D206-Y208 PolarHBondContact O-N 3.32Å; Y208-D238 WeakPolarHBondContact CE1-OD1 3.47Å; Y208-D238 PolarHBondContact OH-OD1 3.05Å; Y208-D238 VanDerWaalsContact OH-OD1 3.14Å; Y208-D238 PolarHBondContact OH-OD2 2.87Å; Y208-M239 HydrophobicContact CD1-CE 4.41Å; Y208-M239 HydrophobicContact CD1-CG 3.26Å; Y208-M239 HydrophobicContact CD1-SD 3.81Å; Y208-M239 HydrophobicContact CE1-CG 3.53Å; Y208-M239 HydrophobicContact CG-CG 4.22Å; Y208-M239 HydrophobicContact CG-SD 4.41Å
209	L	97	Very high	97	Very high	32 Å²	32	34.8 Å²	34.8	17%	0.168	20%	0.198	C	C	.	.	H	α-helix	trans	-90.9	-19.1	-173.3	-61.5	174.4	0	0	0	112.8	R102 A205 K211 I235	R102-L209 WeakPolarHBondContact CD-O 3.26Å; R102-L209 PolarHBondContact NE-O 3.12Å; A205-L209 WeakPolarHBondContact O-CB 3.03Å; A205-L209 PolarHBondContact O-N 2.87Å; L209-K211 PolarHBondContact O-N 2.89Å; L209-I235 WeakPolarHBondContact CD1-O 3.19Å
210	G	96.2	Very high	96.9	Very high	25 Å²	25	36.5 Å²	36.5	26%	0.258	21%	0.207	S	C	.	.	S	Bend	trans	77.5	0.3	-175.6	0	0	0	0	0	113.9	D206	D206-G210 WeakPolarHBondContact O-CA 3.46Å; D206-G210 PolarHBondContact O-N 2.61Å
211	K	96.3	Very high	96.6	Very high	143 Å²	143	41.9 Å²	41.9	62%	0.622	23%	0.232	S	C	*	.			trans	-157.8	158.3	179	63.7	178.6	-177.8	175.1	0	111	D206 L209 T215	D206-K211 PolarHBondContact OD1-N 3.19Å; L209-K211 PolarHBondContact O-N 2.89Å; K211-T215 HydrophobicContact CB-CG2 4.36Å
212	L	98	Very high	96.4	Very high	8 Å²	8	45.3 Å²	45.3	4%	0.042	25%	0.247	C	C	.	.			trans	-117.7	160.8	167.5	-69.2	163.4	0	0	0	110.1	R179 Y180 A205 D206 W214 T215 I235	R179-L212 HydrophobicContact CG-CD1 3.88Å; Y180-L212 HydrophobicContact CD1-CD1 4.4Å; Y180-L212 HydrophobicContact CE1-CD1 4.39Å; A205-L212 HydrophobicContact CB-CD2 3.83Å; D206-L212 HydrophobicContact CB-CD1 3.96Å; D206-L212 HydrophobicContact CB-CD2 4.49Å; D206-L212 HydrophobicContact CB-CG 3.93Å; L212-W214 HydrophobicContact CB-CD2 4.2Å; L212-W214 HydrophobicContact CB-CZ2 4.04Å; L212-W214 HydrophobicContact CD1-CZ2 3.8Å; L212-W214 HydrophobicContact CD2-CH2 4.4Å; L212-W214 HydrophobicContact CD2-CZ2 4.01Å; L212-W214 HydrophobicContact CG-CZ2 4.17Å; L212-W214 PolarHBondContact O-N 3.41Å; L212-W214 VanDerWaalsContact O-N 3.08Å; L212-T215 PolarHBondContact N-OG1 3.48Å; L212-T215 WeakPolarHBondContact O-CB 3.2Å; L212-T215 PolarHBondContact O-N 2.84Å; L212-T215 PolarHBondContact O-OG1 2.8Å; L212-I235 HydrophobicContact CD2-CG2 4.11Å
213	P	97.8	Very high	96.4	Very high	56 Å²	56	45.3 Å²	45.3	36%	0.364	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-29.3	179.3	-29.2	36.6	0	0	0	115	A230 E234 I235	P213-A230 HydrophobicContact CG-CB 4.43Å; P213-E234 HydrophobicContact CG-CB 4.12Å; P213-E234 WeakPolarHBondContact CG-O 3.2Å; P213-I235 HydrophobicContact CG-CG1 4.14Å
214	W	97.8	Very high	96.2	Very high	5 Å²	5	45.6 Å²	45.6	2%	0.019	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	16.7	176.7	50.8	84.5	0	0	0	113.9	R179 Y202 L212 G216 S217 I223 L226 K227 A230 I235	R179-W214 PolarHBondContact O-NE1 2.78Å; Y202-W214 AromaticContact CD1-CH2 3.74Å; Y202-W214 HydrophobicContact CD1-CH2 3.74Å; Y202-W214 AromaticContact CD1-CZ2 3.89Å; Y202-W214 HydrophobicContact CD1-CZ2 3.89Å; Y202-W214 HydrophobicContact CD2-CH2 4.2Å; Y202-W214 AromaticContact CD2-CZ2 3.76Å; Y202-W214 HydrophobicContact CD2-CZ2 3.76Å; Y202-W214 AromaticContact CE1-CH2 3.56Å; Y202-W214 HydrophobicContact CE1-CH2 3.56Å; Y202-W214 HydrophobicContact CE1-CZ2 4.08Å; Y202-W214 HydrophobicContact CE2-CH2 4.05Å; Y202-W214 AromaticContact CE2-CZ2 3.96Å; Y202-W214 HydrophobicContact CE2-CZ2 3.96Å; Y202-W214 HydrophobicContact CG-CH2 4.07Å; Y202-W214 AromaticContact CG-CZ2 3.73Å; Y202-W214 HydrophobicContact CG-CZ2 3.73Å; Y202-W214 AromaticContact CZ-CH2 3.71Å; L212-W214 HydrophobicContact CB-CD2 4.2Å; L212-W214 HydrophobicContact CB-CZ2 4.04Å; L212-W214 HydrophobicContact CD1-CZ2 3.8Å; L212-W214 HydrophobicContact CD2-CH2 4.4Å; L212-W214 HydrophobicContact CD2-CZ2 4.01Å; L212-W214 HydrophobicContact CG-CZ2 4.17Å; L212-W214 PolarHBondContact O-N 3.41Å; L212-W214 VanDerWaalsContact O-N 3.08Å; W214-G216 PolarHBondContact O-N 3.44Å; W214-S217 WeakPolarHBondContact O-CB 3.34Å; W214-S217 PolarHBondContact O-N 2.86Å; W214-I223 HydrophobicContact CB-CG2 4.17Å; W214-I223 HydrophobicContact CG-CG2 3.98Å; W214-L226 HydrophobicContact CB-CB 4.01Å; W214-L226 HydrophobicContact CB-CD1 3.67Å; W214-L226 HydrophobicContact CE3-CB 4.44Å; W214-K227 HydrophobicContact CD2-CD 4.47Å; W214-K227 HydrophobicContact CD2-CG 3.7Å; W214-K227 HydrophobicContact CE3-CB 4.43Å; W214-K227 HydrophobicContact CE3-CG 3.58Å; W214-K227 HydrophobicContact CG-CG 4.49Å; W214-K227 HydrophobicContact CH2-CG 3.69Å; W214-K227 HydrophobicContact CZ2-CD 4.27Å; W214-K227 VanDerWaalsContact CZ2-CE 3.44Å; W214-K227 HydrophobicContact CZ2-CG 3.78Å; W214-K227 HydrophobicContact CZ3-CB 4.26Å; W214-K227 HydrophobicContact CZ3-CG 3.59Å; W214-K227 VanDerWaalsContact NE1-CE 3.29Å; W214-A230 HydrophobicContact CZ3-CB 4.04Å; W214-I235 HydrophobicContact CH2-CD1 4.32Å; W214-I235 HydrophobicContact CH2-CG1 4.28Å; W214-I235 HydrophobicContact CZ3-CD1 4.38Å; W214-I235 HydrophobicContact CZ3-CG1 4.21Å
215	T	95.2	Very high	95.9	Very high	63 Å²	63	48.4 Å²	48.4	39%	0.387	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	125.8	175.8	-59.6	0	0	0	0	110.2	K211 L212	K211-T215 HydrophobicContact CB-CG2 4.36Å; L212-T215 PolarHBondContact N-OG1 3.48Å; L212-T215 WeakPolarHBondContact O-CB 3.2Å; L212-T215 PolarHBondContact O-N 2.84Å; L212-T215 PolarHBondContact O-OG1 2.8Å
216	G	93	Very high	95.8	Very high	67 Å²	67	50.8 Å²	50.8	69%	0.691	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.1	-9.1	-175.6	0	0	0	0	0	113.8	W214	W214-G216 PolarHBondContact O-N 3.44Å
217	S	95.1	Very high	95.7	Very high	31 Å²	31	50.7 Å²	50.7	22%	0.217	28%	0.28	C	S	.	.			trans	-85.8	136	168.4	-61.2	0	0	0	0	110	W214 I223	W214-S217 WeakPolarHBondContact O-CB 3.34Å; W214-S217 PolarHBondContact O-N 2.86Å; S217-I223 WeakPolarHBondContact O-CD1 3.19Å
218	E	92.7	Very high	95.2	Very high	136 Å²	136	54.8 Å²	54.8	64%	0.636	30%	0.302	S	S	*	.			trans	-114.5	-22.4	-178.2	-66.8	-62.6	151.7	0	0	113.3	R178	R178-E218 PolarHBondContact NH1-O 3.46Å
219	E	95.5	Very high	95	Very high	97 Å²	97	60.4 Å²	60.4	45%	0.453	33%	0.327	S	S	.	.			trans	-79.5	127.4	-176.3	-163.6	-77.9	117.5	0	0	110.8	H221 H222 I223	E219-H221 WeakPolarHBondContact OE1-CB 3.21Å; E219-H221 IonicContact OE1-CD2 3.78Å; E219-H221 IonicContact OE1-CG 2.86Å; E219-H221 PolarHBondContact OE1-N 3.39Å; E219-H222 HydrophobicContact CB-CB 4.16Å; E219-H222 PolarHBondContact O-N 3.29Å; E219-H222 WeakPolarHBondContact OE2-CA 3.37Å; E219-H222 WeakPolarHBondContact OE2-CB 3.33Å; E219-H222 PolarHBondContact OE2-N 3.24Å; E219-I223 WeakPolarHBondContact O-CD1 3.37Å; E219-I223 VanDerWaalsContact O-CG1 3.23Å; E219-I223 WeakPolarHBondContact O-CG1 3.45Å; E219-I223 PolarHBondContact O-N 3.49Å
220	I	94.1	Very high	94.9	Very high	41 Å²	41	59.1 Å²	59.1	21%	0.21	32%	0.321	C	S	.	.	H	α-helix	trans	-61.2	-52.3	-168.3	-64.6	173.8	0	0	0	110.8	F174 R178 H186 H222 I223 G224	F174-I220 HydrophobicContact CD1-CD1 4.49Å; F174-I220 HydrophobicContact CD2-CG2 3.91Å; F174-I220 HydrophobicContact CE2-CG2 4.36Å; F174-I220 HydrophobicContact CG-CG2 4.31Å; R178-I220 HydrophobicContact CG-CG1 4.2Å; H186-I220 HydrophobicContact CB-CG2 4.48Å; H186-I220 PolarHBondContact ND1-O 3.06Å; I220-H222 VanDerWaalsContact C-N 3.34Å; I220-H222 PolarHBondContact O-N 3.34Å; I220-I223 PolarHBondContact O-N 3.42Å; I220-G224 PolarHBondContact O-N 2.76Å
221	H	92.5	Very high	94.7	Very high	117 Å²	117	63.2 Å²	63.2	54%	0.542	33%	0.334	S	S	.	.	H	α-helix	trans	-65	-40	-177.1	-67.2	-59.1	0	0	0	111.8	E219 G224 V225	E219-H221 WeakPolarHBondContact OE1-CB 3.21Å; E219-H221 IonicContact OE1-CD2 3.78Å; E219-H221 IonicContact OE1-CG 2.86Å; E219-H221 PolarHBondContact OE1-N 3.39Å; H221-G224 PolarHBondContact O-N 2.81Å; H221-V225 WeakPolarHBondContact O-CG2 3.43Å; H221-V225 PolarHBondContact O-N 2.96Å
222	H	95.4	Very high	94.6	Very high	90 Å²	90	57 Å²	57	42%	0.417	31%	0.307	S	S	.	.	H	α-helix	trans	-62.2	-43.9	176.9	-178.3	57.1	0	0	0	111.9	E219 I220 G224 V225 L226	E219-H222 HydrophobicContact CB-CB 4.16Å; E219-H222 PolarHBondContact O-N 3.29Å; E219-H222 WeakPolarHBondContact OE2-CA 3.37Å; E219-H222 WeakPolarHBondContact OE2-CB 3.33Å; E219-H222 PolarHBondContact OE2-N 3.24Å; I220-H222 VanDerWaalsContact C-N 3.34Å; I220-H222 PolarHBondContact O-N 3.34Å; H222-G224 VanDerWaalsContact C-N 3.31Å; H222-G224 PolarHBondContact O-N 3.45Å; H222-V225 PolarHBondContact O-N 3.34Å; H222-L226 WeakPolarHBondContact O-CG 3.41Å; H222-L226 PolarHBondContact O-N 3.3Å
223	I	97.6	Very high	94.5	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-60.5	-43.5	174.1	-65.8	162.6	0	0	0	110.4	R178 W214 S217 E219 I220 V225 L226 K227	R178-I223 HydrophobicContact CB-CD1 3.98Å; R178-I223 WeakPolarHBondContact O-CG2 3.42Å; W214-I223 HydrophobicContact CB-CG2 4.17Å; W214-I223 HydrophobicContact CG-CG2 3.98Å; S217-I223 WeakPolarHBondContact O-CD1 3.19Å; E219-I223 WeakPolarHBondContact O-CD1 3.37Å; E219-I223 VanDerWaalsContact O-CG1 3.23Å; E219-I223 WeakPolarHBondContact O-CG1 3.45Å; E219-I223 PolarHBondContact O-N 3.49Å; I220-I223 PolarHBondContact O-N 3.42Å; I223-V225 VanDerWaalsContact C-N 3.34Å; I223-V225 PolarHBondContact O-N 3Å; I223-L226 PolarHBondContact O-N 3.46Å; I223-K227 HydrophobicContact CG2-CD 3.96Å; I223-K227 HydrophobicContact CG2-CG 4.4Å; I223-K227 WeakPolarHBondContact O-CG 3.43Å; I223-K227 PolarHBondContact O-N 2.75Å
224	G	93.9	Very high	94.5	Very high	7 Å²	7	62.7 Å²	62.7	7%	0.072	34%	0.341	C	S	.	.	H	α-helix	trans	-56.9	-44.4	174.5	0	0	0	0	0	113.2	H186 I220 H221 H222 K227 N228	H186-G224 VanDerWaalsContact CB-CA 3.47Å; I220-G224 PolarHBondContact O-N 2.76Å; H221-G224 PolarHBondContact O-N 2.81Å; H222-G224 VanDerWaalsContact C-N 3.31Å; H222-G224 PolarHBondContact O-N 3.45Å; G224-K227 PolarHBondContact O-N 3.41Å; G224-N228 WeakPolarHBondContact O-CB 3.38Å; G224-N228 PolarHBondContact O-N 3.1Å
225	V	92.5	Very high	94.5	Very high	69 Å²	69	62.5 Å²	62.5	42%	0.418	34%	0.34	S	S	.	.	H	α-helix	trans	-63.3	-42.9	176.2	172	0	0	0	0	111.5	H221 H222 I223 N228 K229	H221-V225 WeakPolarHBondContact O-CG2 3.43Å; H221-V225 PolarHBondContact O-N 2.96Å; H222-V225 PolarHBondContact O-N 3.34Å; I223-V225 VanDerWaalsContact C-N 3.34Å; I223-V225 PolarHBondContact O-N 3Å; V225-N228 PolarHBondContact O-N 2.71Å; V225-K229 HydrophobicContact CG1-CD 3.98Å; V225-K229 WeakPolarHBondContact O-CB 3.46Å; V225-K229 WeakPolarHBondContact O-CG 3.37Å; V225-K229 PolarHBondContact O-N 3.33Å; V225-K229 VanDerWaalsContact O-N 3.12Å
226	L	96.7	Very high	94.6	Very high	50 Å²	50	59.5 Å²	59.5	26%	0.262	32%	0.321	S	S	.	.	H	α-helix	trans	-62.4	-44.5	176.2	-69.7	175.5	0	0	0	111.2	W214 H222 I223 N228 K229 A230	W214-L226 HydrophobicContact CB-CB 4.01Å; W214-L226 HydrophobicContact CB-CD1 3.67Å; W214-L226 HydrophobicContact CE3-CB 4.44Å; H222-L226 WeakPolarHBondContact O-CG 3.41Å; H222-L226 PolarHBondContact O-N 3.3Å; I223-L226 PolarHBondContact O-N 3.46Å; L226-N228 VanDerWaalsContact C-N 3.34Å; L226-N228 PolarHBondContact O-N 2.92Å; L226-K229 PolarHBondContact O-N 2.96Å; L226-A230 VanDerWaalsContact O-CB 3.24Å; L226-A230 WeakPolarHBondContact O-CB 3.47Å; L226-A230 PolarHBondContact O-N 2.88Å
227	K	95.2	Very high	94.8	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.4	-42.8	176.2	-77.2	173.3	172.3	-179	0	112.7	R178 R179 A181 H186 Y202 W214 I223 G224	R178-K227 PolarHBondContact O-NZ 3.21Å; R179-K227 WeakPolarHBondContact O-CE 3.41Å; R179-K227 PolarHBondContact O-NZ 2.76Å; A181-K227 PolarHBondContact O-NZ 3.14Å; H186-K227 PolarHBondContact NE2-NZ 3.46Å; Y202-K227 HydrophobicContact CE2-CD 3.91Å; Y202-K227 HydrophobicContact CE2-CG 4.15Å; W214-K227 HydrophobicContact CD2-CD 4.47Å; W214-K227 HydrophobicContact CD2-CG 3.7Å; W214-K227 HydrophobicContact CE3-CB 4.43Å; W214-K227 HydrophobicContact CE3-CG 3.58Å; W214-K227 HydrophobicContact CG-CG 4.49Å; W214-K227 HydrophobicContact CH2-CG 3.69Å; W214-K227 HydrophobicContact CZ2-CD 4.27Å; W214-K227 VanDerWaalsContact CZ2-CE 3.44Å; W214-K227 HydrophobicContact CZ2-CG 3.78Å; W214-K227 HydrophobicContact CZ3-CB 4.26Å; W214-K227 HydrophobicContact CZ3-CG 3.59Å; W214-K227 VanDerWaalsContact NE1-CE 3.29Å; I223-K227 HydrophobicContact CG2-CD 3.96Å; I223-K227 HydrophobicContact CG2-CG 4.4Å; I223-K227 WeakPolarHBondContact O-CG 3.43Å; I223-K227 PolarHBondContact O-N 2.75Å; G224-K227 PolarHBondContact O-N 3.41Å
228	N	89.8	Confident	94.8	Very high	85 Å²	85	61.9 Å²	61.9	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-66.7	-39	-179.5	-170.8	41.7	0	0	0	112.1	G224 V225 L226 K251	G224-N228 WeakPolarHBondContact O-CB 3.38Å; G224-N228 PolarHBondContact O-N 3.1Å; V225-N228 PolarHBondContact O-N 2.71Å; L226-N228 VanDerWaalsContact C-N 3.34Å; L226-N228 PolarHBondContact O-N 2.92Å; N228-K251 PolarHBondContact O-NZ 3.18Å
229	K	92.3	Very high	95.1	Very high	145 Å²	145	55.7 Å²	55.7	63%	0.63	30%	0.296	S	S	*	.	H	α-helix	trans	-84.2	-27.6	-176.6	-70.2	-180	177.9	-179.4	0	114.6	V225 L226 Q231	V225-K229 HydrophobicContact CG1-CD 3.98Å; V225-K229 WeakPolarHBondContact O-CB 3.46Å; V225-K229 WeakPolarHBondContact O-CG 3.37Å; V225-K229 PolarHBondContact O-N 3.33Å; V225-K229 VanDerWaalsContact O-N 3.12Å; L226-K229 PolarHBondContact O-N 2.96Å; K229-Q231 PolarHBondContact O-N 2.93Å; K229-Q231 PolarHBondContact O-NE2 2.83Å
230	A	94.3	Very high	95.1	Very high	5 Å²	5	53.4 Å²	53.4	4%	0.041	29%	0.289	C	S	.	.			trans	-58.3	131.5	-176	0	0	0	0	0	111.2	P213 W214 L226 I235	P213-A230 HydrophobicContact CG-CB 4.43Å; W214-A230 HydrophobicContact CZ3-CB 4.04Å; L226-A230 VanDerWaalsContact O-CB 3.24Å; L226-A230 WeakPolarHBondContact O-CB 3.47Å; L226-A230 PolarHBondContact O-N 2.88Å; A230-I235 HydrophobicContact CB-CD1 3.85Å; A230-I235 HydrophobicContact CB-CG1 3.81Å
231	Q	93.6	Very high	95.1	Very high	111 Å²	111	56.9 Å²	56.9	52%	0.519	31%	0.305	S	S	.	.			trans	-80.7	149.6	173.1	-57.8	-56.2	-61.9	0	0	109.8	K229 A233 E234 I235	K229-Q231 PolarHBondContact O-N 2.93Å; K229-Q231 PolarHBondContact O-NE2 2.83Å; Q231-A233 PolarHBondContact O-N 2.73Å; Q231-E234 HydrophobicContact CB-CG 4.24Å; Q231-E234 PolarHBondContact N-OE2 2.96Å; Q231-E234 WeakPolarHBondContact O-CB 3.46Å; Q231-E234 PolarHBondContact O-N 3.09Å; Q231-I235 PolarHBondContact O-N 3.1Å
232	P	93.9	Very high	95.1	Very high	11 Å²	11	55 Å²	55	7%	0.071	31%	0.305	C	S	.	.	H	α-helix	trans	-55	-39.3	179.6	-28.7	37.6	0	0	0	113.3	E234 I235 F236 M244 Y247 E248	P232-E234 PolarHBondContact O-N 3.23Å; P232-I235 PolarHBondContact O-N 3.44Å; P232-F236 HydrophobicContact CB-CD2 3.88Å; P232-F236 HydrophobicContact CB-CE2 4.09Å; P232-F236 WeakPolarHBondContact O-CB 3.33Å; P232-F236 WeakPolarHBondContact O-CD2 3.46Å; P232-F236 PolarHBondContact O-N 2.94Å; P232-M244 HydrophobicContact CB-CB 3.9Å; P232-M244 HydrophobicContact CB-CG 4.27Å; P232-M244 HydrophobicContact CB-SD 4.24Å; P232-Y247 HydrophobicContact CB-CD1 4.33Å; P232-Y247 HydrophobicContact CG-CD1 4.02Å; P232-Y247 HydrophobicContact CG-CE1 4.24Å; P232-E248 HydrophobicContact CB-CG 4.45Å; P232-E248 HydrophobicContact CG-CG 3.46Å; P232-E248 VanDerWaalsContact CG-CG 3.46Å; P232-E248 VanDerWaalsContact CG-OE1 3.29Å; P232-E248 WeakPolarHBondContact CG-OE1 3.18Å
233	A	96.1	Very high	94.9	Very high	66 Å²	66	51.6 Å²	51.6	55%	0.545	29%	0.289	S	S	.	.	H	α-helix	trans	-59.7	-32.1	176	0	0	0	0	0	113.4	Q231 G237	Q231-A233 PolarHBondContact O-N 2.73Å; A233-G237 WeakPolarHBondContact O-CA 3.23Å; A233-G237 PolarHBondContact O-N 3.16Å
234	E	97.1	Very high	94.7	Very high	119 Å²	119	52.1 Å²	52.1	56%	0.556	29%	0.292	S	S	*	.	H	α-helix	trans	-74.8	-32.6	176	-60.6	176.6	107.2	0	0	111.9	P213 Q231 P232	P213-E234 HydrophobicContact CG-CB 4.12Å; P213-E234 WeakPolarHBondContact CG-O 3.2Å; Q231-E234 HydrophobicContact CB-CG 4.24Å; Q231-E234 PolarHBondContact N-OE2 2.96Å; Q231-E234 WeakPolarHBondContact O-CB 3.46Å; Q231-E234 PolarHBondContact O-N 3.09Å; P232-E234 PolarHBondContact O-N 3.23Å
235	I	97.8	Very high	94.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-79.1	-46.9	-178.7	-59.1	169.5	0	0	0	110.5	Y202 A205 L209 L212 P213 W214 A230 Q231 P232 Y247	Y202-I235 HydrophobicContact CD1-CG2 4.11Å; Y202-I235 HydrophobicContact CE1-CD1 4.12Å; Y202-I235 HydrophobicContact CE1-CG2 4.37Å; A205-I235 HydrophobicContact CB-CG2 4.11Å; A205-I235 WeakPolarHBondContact CB-O 3.25Å; L209-I235 WeakPolarHBondContact CD1-O 3.19Å; L212-I235 HydrophobicContact CD2-CG2 4.11Å; P213-I235 HydrophobicContact CG-CG1 4.14Å; W214-I235 HydrophobicContact CH2-CD1 4.32Å; W214-I235 HydrophobicContact CH2-CG1 4.28Å; W214-I235 HydrophobicContact CZ3-CD1 4.38Å; W214-I235 HydrophobicContact CZ3-CG1 4.21Å; A230-I235 HydrophobicContact CB-CD1 3.85Å; A230-I235 HydrophobicContact CB-CG1 3.81Å; Q231-I235 PolarHBondContact O-N 3.1Å; P232-I235 PolarHBondContact O-N 3.44Å; I235-Y247 HydrophobicContact CD1-CE1 4.01Å
236	F	97.8	Very high	94.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-103.2	-9.9	-167.4	-57.2	-66.5	0	0	0	113.7	F201 A205 P232 D238 M239 L243 M244 Y247	F201-F236 HydrophobicContact CB-CE1 4.04Å; F201-F236 HydrophobicContact CB-CZ 4.04Å; F201-F236 AromaticContact CD1-CE1 3.96Å; F201-F236 HydrophobicContact CD1-CE1 3.96Å; F201-F236 AromaticContact CD1-CZ 3.91Å; F201-F236 HydrophobicContact CD1-CZ 3.91Å; F201-F236 HydrophobicContact CG-CZ 4.43Å; A205-F236 HydrophobicContact CB-CD1 3.79Å; A205-F236 HydrophobicContact CB-CE1 4.04Å; P232-F236 HydrophobicContact CB-CD2 3.88Å; P232-F236 HydrophobicContact CB-CE2 4.09Å; P232-F236 WeakPolarHBondContact O-CB 3.33Å; P232-F236 WeakPolarHBondContact O-CD2 3.46Å; P232-F236 PolarHBondContact O-N 2.94Å; F236-D238 PolarHBondContact O-N 3.44Å; F236-M239 HydrophobicContact CB-CB 4.16Å; F236-M239 HydrophobicContact CB-SD 4.29Å; F236-M239 HydrophobicContact CD1-SD 4.15Å; F236-M239 VanDerWaalsContact O-CB 3.31Å; F236-M239 WeakPolarHBondContact O-CB 3.27Å; F236-M239 WeakPolarHBondContact O-CG 3.47Å; F236-M239 PolarHBondContact O-N 2.57Å; F236-L243 HydrophobicContact CD1-CD2 3.37Å; F236-L243 HydrophobicContact CD2-CD2 4.41Å; F236-L243 HydrophobicContact CE1-CD2 3.52Å; F236-L243 HydrophobicContact CG-CD2 3.88Å; F236-L243 HydrophobicContact CZ-CD2 4.13Å; F236-M244 HydrophobicContact CB-CE 3.9Å; F236-M244 HydrophobicContact CB-CG 3.95Å; F236-M244 HydrophobicContact CB-SD 4.28Å; F236-M244 HydrophobicContact CD2-CB 4.36Å; F236-M244 HydrophobicContact CD2-CG 3.83Å; F236-M244 HydrophobicContact CG-CG 4.19Å; F236-Y247 AromaticContact CE2-CD1 3.49Å; F236-Y247 HydrophobicContact CE2-CD1 3.49Å; F236-Y247 VanDerWaalsContact CE2-CD1 3.49Å; F236-Y247 HydrophobicContact CE2-CD2 4.15Å; F236-Y247 HydrophobicContact CE2-CE1 4.15Å; F236-Y247 AromaticContact CE2-CG 3.47Å; F236-Y247 HydrophobicContact CE2-CG 3.47Å; F236-Y247 VanDerWaalsContact CE2-CG 3.47Å; F236-Y247 AromaticContact CZ-CD1 3.97Å; F236-Y247 HydrophobicContact CZ-CD1 3.97Å; F236-Y247 AromaticContact CZ-CD2 3.74Å; F236-Y247 HydrophobicContact CZ-CD2 3.74Å; F236-Y247 HydrophobicContact CZ-CE2 4.38Å; F236-Y247 AromaticContact CZ-CG 3.5Å; F236-Y247 HydrophobicContact CZ-CG 3.5Å
237	G	96.5	Very high	94.2	Very high	37 Å²	37	53.4 Å²	53.4	38%	0.381	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	-119.6	174.6	0	0	0	0	0	112.4	A233 M244	A233-G237 WeakPolarHBondContact O-CA 3.23Å; A233-G237 PolarHBondContact O-N 3.16Å; G237-M244 VanDerWaalsContact O-CE 3.26Å; G237-M244 WeakPolarHBondContact O-CE 3.34Å
238	D	96.4	Very high	93.9	Very high	111 Å²	111	57.7 Å²	57.7	59%	0.594	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	14.8	179.9	66.6	-35.2	0	0	0	113.8	Y208 F236	Y208-D238 WeakPolarHBondContact CE1-OD1 3.47Å; Y208-D238 PolarHBondContact OH-OD1 3.05Å; Y208-D238 VanDerWaalsContact OH-OD1 3.14Å; Y208-D238 PolarHBondContact OH-OD2 2.87Å; F236-D238 PolarHBondContact O-N 3.44Å
239	M	98	Very high	93.6	Very high	6 Å²	6	56.1 Å²	56.1	3%	0.03	32%	0.317	C	S	.	.	S	Bend	trans	-63	159.2	172	-67.8	-178.2	89.9	0	0	111.6	L105 V108 Y208 F236 L243 M244	L105-M239 HydrophobicContact CD1-CE 3.89Å; L105-M239 HydrophobicContact CD1-CG 4.16Å; V108-M239 HydrophobicContact CG1-CE 4.06Å; Y208-M239 HydrophobicContact CD1-CE 4.41Å; Y208-M239 HydrophobicContact CD1-CG 3.26Å; Y208-M239 HydrophobicContact CD1-SD 3.81Å; Y208-M239 HydrophobicContact CE1-CG 3.53Å; Y208-M239 HydrophobicContact CG-CG 4.22Å; Y208-M239 HydrophobicContact CG-SD 4.41Å; F236-M239 HydrophobicContact CB-CB 4.16Å; F236-M239 HydrophobicContact CB-SD 4.29Å; F236-M239 HydrophobicContact CD1-SD 4.15Å; F236-M239 VanDerWaalsContact O-CB 3.31Å; F236-M239 WeakPolarHBondContact O-CB 3.27Å; F236-M239 WeakPolarHBondContact O-CG 3.47Å; F236-M239 PolarHBondContact O-N 2.57Å; M239-L243 HydrophobicContact CE-CD1 3.6Å; M239-M244 WeakPolarHBondContact O-CE 3.29Å
240	P	95.9	Very high	93.3	Very high	49 Å²	49	51 Å²	51	32%	0.318	30%	0.296	S	S	.	.			trans	-56.5	139.7	-178.5	-26.5	35.6	0	0	0	113.5	L105 S242 L243	L105-P240 HydrophobicContact CD2-CG 4.14Å; P240-S242 PolarHBondContact O-N 3.49Å; P240-L243 WeakPolarHBondContact O-CB 3.32Å; P240-L243 PolarHBondContact O-N 3.37Å
241	Q	93.9	Very high	92.5	Very high	115 Å²	115	54.3 Å²	54.3	54%	0.537	31%	0.309	S	S	.	.	H	α-helix	trans	-54.9	-38.4	-179.5	-173.7	59.9	50.4	0	0	112.6	L243 M244 D245	Q241-L243 PolarHBondContact O-N 3.18Å; Q241-L243 VanDerWaalsContact O-N 3.12Å; Q241-M244 WeakPolarHBondContact O-CA 3.39Å; Q241-M244 WeakPolarHBondContact O-CB 3.18Å; Q241-M244 PolarHBondContact O-N 3.38Å; Q241-D245 PolarHBondContact NE2-OD1 2.88Å; Q241-D245 PolarHBondContact O-N 3.45Å
242	S	92	Very high	91.5	Very high	77 Å²	77	51 Å²	51	54%	0.538	30%	0.298	S	S	.	.	H	α-helix	trans	-57	-30.5	178.2	55.3	0	0	0	0	113.9	P240 T246	P240-S242 PolarHBondContact O-N 3.49Å; S242-T246 WeakPolarHBondContact O-CB 3.23Å; S242-T246 PolarHBondContact O-N 2.89Å; S242-T246 PolarHBondContact O-OG1 3.11Å
243	L	91.3	Very high	90.1	Very high	18 Å²	18	52.7 Å²	52.7	9%	0.094	31%	0.308	C	S	.	.	H	α-helix	trans	-72.3	-40.2	175.9	-169.7	152.7	0	0	0	110.5	L109 F201 F236 M239 P240 Q241 T246 Y247	L109-L243 HydrophobicContact CD2-CD1 4.15Å; F201-L243 HydrophobicContact CD1-CD2 3.58Å; F201-L243 HydrophobicContact CD1-CG 4.07Å; F201-L243 HydrophobicContact CE1-CD2 3.72Å; F201-L243 HydrophobicContact CE1-CG 3.72Å; F201-L243 VanDerWaalsContact CE1-O 3.28Å; F201-L243 WeakPolarHBondContact CE1-O 3.4Å; F236-L243 HydrophobicContact CD1-CD2 3.37Å; F236-L243 HydrophobicContact CD2-CD2 4.41Å; F236-L243 HydrophobicContact CE1-CD2 3.52Å; F236-L243 HydrophobicContact CG-CD2 3.88Å; F236-L243 HydrophobicContact CZ-CD2 4.13Å; M239-L243 HydrophobicContact CE-CD1 3.6Å; P240-L243 WeakPolarHBondContact O-CB 3.32Å; P240-L243 PolarHBondContact O-N 3.37Å; Q241-L243 PolarHBondContact O-N 3.18Å; Q241-L243 VanDerWaalsContact O-N 3.12Å; L243-T246 PolarHBondContact O-N 2.83Å; L243-Y247 PolarHBondContact O-N 3.37Å
244	M	93.1	Very high	88	Confident	13 Å²	13	53.9 Å²	53.9	6%	0.064	31%	0.305	C	S	.	.	H	α-helix	trans	-64.9	-44.4	175.2	-53.7	-165.8	-159.9	0	0	111.1	P232 F236 G237 M239 Q241 T246 Y247 E248	P232-M244 HydrophobicContact CB-CB 3.9Å; P232-M244 HydrophobicContact CB-CG 4.27Å; P232-M244 HydrophobicContact CB-SD 4.24Å; F236-M244 HydrophobicContact CB-CE 3.9Å; F236-M244 HydrophobicContact CB-CG 3.95Å; F236-M244 HydrophobicContact CB-SD 4.28Å; F236-M244 HydrophobicContact CD2-CB 4.36Å; F236-M244 HydrophobicContact CD2-CG 3.83Å; F236-M244 HydrophobicContact CG-CG 4.19Å; G237-M244 VanDerWaalsContact O-CE 3.26Å; G237-M244 WeakPolarHBondContact O-CE 3.34Å; M239-M244 WeakPolarHBondContact O-CE 3.29Å; Q241-M244 WeakPolarHBondContact O-CA 3.39Å; Q241-M244 WeakPolarHBondContact O-CB 3.18Å; Q241-M244 PolarHBondContact O-N 3.38Å; M244-T246 VanDerWaalsContact C-N 3.3Å; M244-T246 PolarHBondContact O-N 2.92Å; M244-Y247 WeakPolarHBondContact O-CB 3.4Å; M244-Y247 PolarHBondContact O-N 3.2Å; M244-Y247 VanDerWaalsContact O-N 3.16Å; M244-E248 WeakPolarHBondContact O-CG 3.42Å; M244-E248 PolarHBondContact O-N 3.02Å
245	D	90.8	Very high	86.2	Confident	79 Å²	79	53.5 Å²	53.5	42%	0.422	31%	0.305	S	S	.	.	H	α-helix	trans	-60.4	-41.8	177.8	-56.4	-19.8	0	0	0	111	Q241 E248 A249	Q241-D245 PolarHBondContact NE2-OD1 2.88Å; Q241-D245 PolarHBondContact O-N 3.45Å; D245-E248 PolarHBondContact O-N 3.3Å; D245-A249 WeakPolarHBondContact O-CB 3.37Å; D245-A249 PolarHBondContact O-N 3.05Å
246	T	89.6	Confident	84.2	Confident	72 Å²	72	59 Å²	59	44%	0.442	33%	0.331	S	S	.	.	H	α-helix	trans	-65.7	-41.2	176.8	-54	0	0	0	0	111.5	F201 S242 L243 M244 A249 L250	F201-T246 HydrophobicContact CE1-CG2 4.45Å; F201-T246 HydrophobicContact CE2-CG2 4.45Å; F201-T246 HydrophobicContact CZ-CG2 3.65Å; S242-T246 WeakPolarHBondContact O-CB 3.23Å; S242-T246 PolarHBondContact O-N 2.89Å; S242-T246 PolarHBondContact O-OG1 3.11Å; L243-T246 PolarHBondContact O-N 2.83Å; M244-T246 VanDerWaalsContact C-N 3.3Å; M244-T246 PolarHBondContact O-N 2.92Å; T246-A249 PolarHBondContact O-N 3.3Å; T246-L250 HydrophobicContact CG2-CD1 4.5Å; T246-L250 WeakPolarHBondContact O-CG 3.36Å; T246-L250 PolarHBondContact O-N 3.18Å
247	Y	92.3	Very high	82.5	Confident	3 Å²	3	65.2 Å²	65.2	1%	0.012	36%	0.36	C	S	.	.	H	α-helix	trans	-63.6	-43.5	175.4	169.3	-98.7	0	0	0	112.2	I198 F201 Y202 P232 I235 F236 L243 M244 L250 K251	I198-Y247 HydrophobicContact CG2-CE2 4.32Å; F201-Y247 HydrophobicContact CB-CD2 4.05Å; F201-Y247 HydrophobicContact CD1-CD2 4.4Å; F201-Y247 HydrophobicContact CG-CD2 4.2Å; Y202-Y247 AromaticContact CE1-CE2 3.7Å; Y202-Y247 HydrophobicContact CE1-CE2 3.7Å; Y202-Y247 AromaticContact CE1-CZ 3.95Å; Y202-Y247 PolarHBondContact OH-OH 3.23Å; Y202-Y247 VanDerWaalsContact OH-OH 3.04Å; P232-Y247 HydrophobicContact CB-CD1 4.33Å; P232-Y247 HydrophobicContact CG-CD1 4.02Å; P232-Y247 HydrophobicContact CG-CE1 4.24Å; I235-Y247 HydrophobicContact CD1-CE1 4.01Å; F236-Y247 AromaticContact CE2-CD1 3.49Å; F236-Y247 HydrophobicContact CE2-CD1 3.49Å; F236-Y247 VanDerWaalsContact CE2-CD1 3.49Å; F236-Y247 HydrophobicContact CE2-CD2 4.15Å; F236-Y247 HydrophobicContact CE2-CE1 4.15Å; F236-Y247 AromaticContact CE2-CG 3.47Å; F236-Y247 HydrophobicContact CE2-CG 3.47Å; F236-Y247 VanDerWaalsContact CE2-CG 3.47Å; F236-Y247 AromaticContact CZ-CD1 3.97Å; F236-Y247 HydrophobicContact CZ-CD1 3.97Å; F236-Y247 AromaticContact CZ-CD2 3.74Å; F236-Y247 HydrophobicContact CZ-CD2 3.74Å; F236-Y247 HydrophobicContact CZ-CE2 4.38Å; F236-Y247 AromaticContact CZ-CG 3.5Å; F236-Y247 HydrophobicContact CZ-CG 3.5Å; L243-Y247 PolarHBondContact O-N 3.37Å; M244-Y247 WeakPolarHBondContact O-CB 3.4Å; M244-Y247 PolarHBondContact O-N 3.2Å; M244-Y247 VanDerWaalsContact O-N 3.16Å; Y247-L250 PolarHBondContact O-N 2.96Å; Y247-K251 HydrophobicContact CE1-CD 4.35Å; Y247-K251 PolarHBondContact O-N 3.36Å
248	E	89.2	Confident	80.8	Confident	90 Å²	90	69.1 Å²	69.1	42%	0.421	37%	0.371	S	S	.	.	H	α-helix	trans	-61.3	-45.9	176.1	-74.9	-171.9	157.5	0	0	111	P232 M244 D245 L250 K251 S252	P232-E248 HydrophobicContact CB-CG 4.45Å; P232-E248 HydrophobicContact CG-CG 3.46Å; P232-E248 VanDerWaalsContact CG-CG 3.46Å; P232-E248 VanDerWaalsContact CG-OE1 3.29Å; P232-E248 WeakPolarHBondContact CG-OE1 3.18Å; M244-E248 WeakPolarHBondContact O-CG 3.42Å; M244-E248 PolarHBondContact O-N 3.02Å; D245-E248 PolarHBondContact O-N 3.3Å; E248-L250 VanDerWaalsContact C-N 3.34Å; E248-L250 PolarHBondContact O-N 3.01Å; E248-K251 WeakPolarHBondContact O-CB 3.44Å; E248-K251 PolarHBondContact O-N 2.84Å; E248-S252 PolarHBondContact O-N 3.38Å; E248-S252 PolarHBondContact O-OG 3.31Å
249	A	84.2	Confident	79.5	Confident	52 Å²	52	69.8 Å²	69.8	43%	0.43	37%	0.371	S	S	.	.	H	α-helix	trans	-54.7	-50.8	174.8	0	0	0	0	0	110.7	D245 T246 K251 S252 V253	D245-A249 WeakPolarHBondContact O-CB 3.37Å; D245-A249 PolarHBondContact O-N 3.05Å; T246-A249 PolarHBondContact O-N 3.3Å; A249-K251 VanDerWaalsContact C-N 3.26Å; A249-K251 PolarHBondContact O-N 3.04Å; A249-S252 CarbonylContact O-C 3.37Å; A249-S252 PolarHBondContact O-N 2.91Å; A249-V253 WeakPolarHBondContact O-CG2 3.49Å; A249-V253 PolarHBondContact O-N 2.68Å
250	L	84.8	Confident	78	Confident	37 Å²	37	71.4 Å²	71.4	19%	0.194	39%	0.389	C	S	.	.	H	α-helix	trans	-56.4	-36.1	175.9	-74.8	171.9	0	0	0	113.5	M197 F201 T246 Y247 E248 S252	M197-L250 HydrophobicContact CB-CD1 4.05Å; F201-L250 HydrophobicContact CD2-CD1 3.89Å; F201-L250 HydrophobicContact CE2-CD1 3.37Å; F201-L250 HydrophobicContact CZ-CD1 4.06Å; T246-L250 HydrophobicContact CG2-CD1 4.5Å; T246-L250 WeakPolarHBondContact O-CG 3.36Å; T246-L250 PolarHBondContact O-N 3.18Å; Y247-L250 PolarHBondContact O-N 2.96Å; E248-L250 VanDerWaalsContact C-N 3.34Å; E248-L250 PolarHBondContact O-N 3.01Å; L250-S252 VanDerWaalsContact C-N 3.34Å
251	K	79.3	Confident	76.7	Confident	74 Å²	74	71.7 Å²	71.7	32%	0.322	40%	0.396	S	S	.	.	H	α-helix	trans	-71.1	-30.3	176.8	-166.7	176.7	179.8	178.7	0	112	N228 Y247 E248 A249	N228-K251 PolarHBondContact O-NZ 3.18Å; Y247-K251 HydrophobicContact CE1-CD 4.35Å; Y247-K251 PolarHBondContact O-N 3.36Å; E248-K251 WeakPolarHBondContact O-CB 3.44Å; E248-K251 PolarHBondContact O-N 2.84Å; A249-K251 VanDerWaalsContact C-N 3.26Å; A249-K251 PolarHBondContact O-N 3.04Å
252	S	72.4	Confident	75.9	Confident	42 Å²	42	68 Å²	68	29%	0.294	39%	0.385	S	S	.	.	H	α-helix	trans	-93.6	-18.1	-176.4	-62.3	0	0	0	0	115.2	E248 A249 L250 I254 I255 E256	E248-S252 PolarHBondContact O-N 3.38Å; E248-S252 PolarHBondContact O-OG 3.31Å; A249-S252 CarbonylContact O-C 3.37Å; A249-S252 PolarHBondContact O-N 2.91Å; L250-S252 VanDerWaalsContact C-N 3.34Å; S252-I254 VanDerWaalsContact C-N 3.28Å; S252-I254 PolarHBondContact O-N 3.17Å; S252-I255 PolarHBondContact O-N 2.74Å; S252-I255 VanDerWaalsContact O-N 3.11Å; S252-E256 VanDerWaalsContact CB-OE1 3.32Å; S252-E256 WeakPolarHBondContact CB-OE1 3.45Å; S252-E256 PolarHBondContact O-N 3.14Å; S252-E256 VanDerWaalsContact O-N 3.13Å
253	V	64.3	Low	75	Confident	46 Å²	46	67.5 Å²	67.5	28%	0.279	39%	0.385	S	S	.	.	H	α-helix	trans	-41.3	-49.5	-169.2	171.2	0	0	0	0	113.7	A249 E257	A249-V253 WeakPolarHBondContact O-CG2 3.49Å; A249-V253 PolarHBondContact O-N 2.68Å; V253-E257 HydrophobicContact CG1-CG 4.26Å; V253-E257 WeakPolarHBondContact CG1-OE1 3.32Å; V253-E257 WeakPolarHBondContact O-CB 3.35Å; V253-E257 WeakPolarHBondContact O-CG 3.39Å; V253-E257 PolarHBondContact O-N 3.19Å
254	I	50.9	Low	74.4	Confident	92 Å²	92	74.5 Å²	74.5	47%	0.472	42%	0.417	S	S	.	.	H	α-helix	trans	-75.7	-36.7	-169.8	-61.9	171.8	0	0	0	112.5	S252 L258	S252-I254 VanDerWaalsContact C-N 3.28Å; S252-I254 PolarHBondContact O-N 3.17Å; I254-L258 HydrophobicContact CG2-CD1 4.14Å; I254-L258 WeakPolarHBondContact O-CB 3.42Å; I254-L258 VanDerWaalsContact O-CG 3.28Å; I254-L258 WeakPolarHBondContact O-CG 3.23Å; I254-L258 PolarHBondContact O-N 2.97Å
255	I	58.9	Low	73.9	Confident	111 Å²	111	79.9 Å²	79.9	57%	0.569	45%	0.445	S	S	*	.	H	α-helix	trans	-73.6	-42.5	-180	-65.6	175.1	0	0	0	109.4	S252 L258 Q259	S252-I255 PolarHBondContact O-N 2.74Å; S252-I255 VanDerWaalsContact O-N 3.11Å; I255-L258 PolarHBondContact O-N 3.23Å; I255-Q259 HydrophobicContact CG2-CG 4.2Å; I255-Q259 VanDerWaalsContact O-CB 3.25Å; I255-Q259 WeakPolarHBondContact O-CB 3.14Å; I255-Q259 WeakPolarHBondContact O-CG 3.37Å; I255-Q259 PolarHBondContact O-N 2.98Å
256	E	57.4	Low	73.6	Confident	114 Å²	114	83.1 Å²	83.1	53%	0.533	46%	0.462	S	S	.	.	H	α-helix	trans	-67.7	-39.8	178.1	-72	179.5	-173.7	0	0	112.1	S252 L258 Q259 G260	S252-E256 VanDerWaalsContact CB-OE1 3.32Å; S252-E256 WeakPolarHBondContact CB-OE1 3.45Å; S252-E256 PolarHBondContact O-N 3.14Å; S252-E256 VanDerWaalsContact O-N 3.13Å; E256-L258 PolarHBondContact O-N 3.46Å; E256-Q259 PolarHBondContact O-N 2.89Å; E256-G260 WeakPolarHBondContact O-CA 3.38Å; E256-G260 PolarHBondContact O-N 2.89Å
257	E	61	Low	72.9	Confident	131 Å²	131	81.3 Å²	81.3	61%	0.612	46%	0.455	S	S	*	.	H	α-helix	trans	-62.7	-42.5	175.8	-80.4	-177.1	177.2	0	0	111.8	V253 G260 A261	V253-E257 HydrophobicContact CG1-CG 4.26Å; V253-E257 WeakPolarHBondContact CG1-OE1 3.32Å; V253-E257 WeakPolarHBondContact O-CB 3.35Å; V253-E257 WeakPolarHBondContact O-CG 3.39Å; V253-E257 PolarHBondContact O-N 3.19Å; E257-G260 PolarHBondContact O-N 2.71Å; E257-A261 VanDerWaalsContact O-CB 3.25Å; E257-A261 WeakPolarHBondContact O-CB 3.32Å; E257-A261 PolarHBondContact O-N 3.05Å
258	L	61.3	Low	72.2	Confident	119 Å²	119	84.5 Å²	84.5	62%	0.623	48%	0.476	S	S	*	.	H	α-helix	trans	-72	-38.7	177.5	-69.7	173.5	0	0	0	112.3	I254 I255 E256 G260 A262	I254-L258 HydrophobicContact CG2-CD1 4.14Å; I254-L258 WeakPolarHBondContact O-CB 3.42Å; I254-L258 VanDerWaalsContact O-CG 3.28Å; I254-L258 WeakPolarHBondContact O-CG 3.23Å; I254-L258 PolarHBondContact O-N 2.97Å; I255-L258 PolarHBondContact O-N 3.23Å; E256-L258 PolarHBondContact O-N 3.46Å; L258-G260 VanDerWaalsContact C-N 3.34Å; L258-A262 WeakPolarHBondContact O-CB 3.26Å; L258-A262 PolarHBondContact O-N 2.93Å
259	Q	69.8	Low	71.8	Confident	125 Å²	125	90.1 Å²	90.1	58%	0.584	50%	0.502	S	S	*	.	H	α-helix	trans	-64.4	-40.2	173.3	-76.7	175.6	-19.1	0	0	111.4	I255 E256 A263	I255-Q259 HydrophobicContact CG2-CG 4.2Å; I255-Q259 VanDerWaalsContact O-CB 3.25Å; I255-Q259 WeakPolarHBondContact O-CB 3.14Å; I255-Q259 WeakPolarHBondContact O-CG 3.37Å; I255-Q259 PolarHBondContact O-N 2.98Å; E256-Q259 PolarHBondContact O-N 2.89Å; Q259-A263 VanDerWaalsContact O-CB 3.3Å; Q259-A263 WeakPolarHBondContact O-CB 3.47Å; Q259-A263 PolarHBondContact O-N 2.64Å
260	G	65.2	Low	71.6	Confident	40 Å²	40	91.4 Å²	91.4	41%	0.412	51%	0.508	S	S	.	.	H	α-helix	trans	-68.1	-45.2	176.9	0	0	0	0	0	112.5	E256 E257 L258 A262 A263 H264	E256-G260 WeakPolarHBondContact O-CA 3.38Å; E256-G260 PolarHBondContact O-N 2.89Å; E257-G260 PolarHBondContact O-N 2.71Å; L258-G260 VanDerWaalsContact C-N 3.34Å; G260-A262 VanDerWaalsContact C-N 3.34Å; G260-A262 PolarHBondContact O-N 2.99Å; G260-A263 PolarHBondContact O-N 3.16Å; G260-H264 WeakPolarHBondContact O-CB 3.47Å; G260-H264 PolarHBondContact O-N 3.04Å
261	A	69.7	Low	71.2	Confident	55 Å²	55	96.5 Å²	96.5	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-61.7	-42.9	174.4	0	0	0	0	0	111.5	E257 H264 I265	E257-A261 VanDerWaalsContact O-CB 3.25Å; E257-A261 WeakPolarHBondContact O-CB 3.32Å; E257-A261 PolarHBondContact O-N 3.05Å; A261-H264 PolarHBondContact O-N 3.02Å; A261-I265 PolarHBondContact O-N 3.45Å
262	A	75.9	Confident	71	Confident	39 Å²	39	98.7 Å²	98.7	32%	0.322	55%	0.548	S	S	.	.	H	α-helix	trans	-61.4	-47	173.9	0	0	0	0	0	111.6	L258 G260 H264 I265 N266 A267	L258-A262 WeakPolarHBondContact O-CB 3.26Å; L258-A262 PolarHBondContact O-N 2.93Å; G260-A262 VanDerWaalsContact C-N 3.34Å; G260-A262 PolarHBondContact O-N 2.99Å; A262-H264 PolarHBondContact O-N 3.18Å; A262-I265 WeakPolarHBondContact O-CG1 3.39Å; A262-I265 PolarHBondContact O-N 3.36Å; A262-N266 PolarHBondContact O-N 3.43Å; A262-A267 HydrophobicContact CB-CB 3.81Å; A262-A267 WeakPolarHBondContact O-CB 3.49Å; A262-A267 PolarHBondContact O-N 3.01Å
263	A	73.7	Confident	71.3	Confident	65 Å²	65	103.8 Å²	103.8	54%	0.537	57%	0.566	S	S	.	*	H	α-helix	trans	-64.1	-38.7	178.2	0	0	0	0	0	112.7	Q259 G260 I265 N266	Q259-A263 VanDerWaalsContact O-CB 3.3Å; Q259-A263 WeakPolarHBondContact O-CB 3.47Å; Q259-A263 PolarHBondContact O-N 2.64Å; G260-A263 PolarHBondContact O-N 3.16Å; A263-I265 VanDerWaalsContact C-N 3.29Å; A263-I265 PolarHBondContact O-N 3.23Å; A263-N266 PolarHBondContact O-N 2.94Å
264	H	79.8	Confident	71.7	Confident	166 Å²	166	109.1 Å²	109.1	77%	0.769	59%	0.592	S	S	*	*	H	α-helix	trans	-60.7	-37.3	-179.3	-174.9	70.3	0	0	0	112.8	G260 A261 A262 N266	G260-H264 WeakPolarHBondContact O-CB 3.47Å; G260-H264 PolarHBondContact O-N 3.04Å; A261-H264 PolarHBondContact O-N 3.02Å; A262-H264 PolarHBondContact O-N 3.18Å; H264-N266 VanDerWaalsContact C-N 3.33Å
265	I	82.4	Confident	72.4	Confident	126 Å²	126	112.8 Å²	112.8	65%	0.646	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	8.2	178.2	69.7	177.9	0	0	0	112.9	A261 A262 A263 A267	A261-I265 PolarHBondContact O-N 3.45Å; A262-I265 WeakPolarHBondContact O-CG1 3.39Å; A262-I265 PolarHBondContact O-N 3.36Å; A263-I265 VanDerWaalsContact C-N 3.29Å; A263-I265 PolarHBondContact O-N 3.23Å; I265-A267 HydrophobicContact CD1-CB 3.99Å; I265-A267 HydrophobicContact CG1-CB 3.71Å; I265-A267 PolarHBondContact O-N 3.42Å
266	N	83.5	Confident	72.2	Confident	146 Å²	146	113 Å²	113	78%	0.781	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	45.4	44.9	-166.7	-72.8	-42.4	0	0	0	111.5	A262 A263 H264	A262-N266 PolarHBondContact O-N 3.43Å; A263-N266 PolarHBondContact O-N 2.94Å; H264-N266 VanDerWaalsContact C-N 3.33Å
267	A	75.6	Confident	72	Confident	34 Å²	34	116.3 Å²	116.3	28%	0.281	63%	0.631	S	S	.	*			trans	-54.8	132.3	-179.2	0	0	0	0	0	108.6	A262 I265 Q269	A262-A267 HydrophobicContact CB-CB 3.81Å; A262-A267 WeakPolarHBondContact O-CB 3.49Å; A262-A267 PolarHBondContact O-N 3.01Å; I265-A267 HydrophobicContact CD1-CB 3.99Å; I265-A267 HydrophobicContact CG1-CB 3.71Å; I265-A267 PolarHBondContact O-N 3.42Å; A267-Q269 PolarHBondContact O-N 2.9Å
268	P	78	Confident	71.6	Confident	71 Å²	71	116 Å²	116	46%	0.461	64%	0.643	S	S	.	*			trans	-60.9	134.2	178	28.2	-36	0	0	0	109.1	S270 I272	P268-S270 WeakPolarHBondContact CB-O 3.32Å; P268-S270 PolarHBondContact O-N 3.46Å; P268-I272 HydrophobicContact CB-CD1 3.66Å; P268-I272 HydrophobicContact CB-CG1 3.92Å; P268-I272 HydrophobicContact CG-CB 4.5Å; P268-I272 HydrophobicContact CG-CD1 3.48Å; P268-I272 VanDerWaalsContact CG-CD1 3.48Å; P268-I272 HydrophobicContact CG-CG1 3.64Å
269	Q	79.1	Confident	71	Confident	208 Å²	208	115.3 Å²	115.3	97%	0.972	65%	0.649	S	S	*	*	S	Bend	trans	-64.5	-29.3	174	-69.3	-165.4	-19.3	0	0	111.6	A267	A267-Q269 PolarHBondContact O-N 2.9Å
270	S	81.2	Confident	69.8	Low	78 Å²	78	114.8 Å²	114.8	55%	0.545	66%	0.659	S	S	.	*	S	Bend	trans	-82.7	136.8	171.2	54.9	0	0	0	0	110.6	P268 I272	P268-S270 WeakPolarHBondContact CB-O 3.32Å; P268-S270 PolarHBondContact O-N 3.46Å; S270-I272 PolarHBondContact O-N 3.14Å
271	L	75.3	Confident	69	Low	144 Å²	144	117.7 Å²	117.7	75%	0.754	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-61.1	120.4	169.2	-60.4	172.6	0	0	0	109.4	F273	L271-F273 HydrophobicContact CB-CD2 4.33Å; L271-F273 HydrophobicContact CB-CE2 3.51Å; L271-F273 HydrophobicContact CB-CZ 3.68Å; L271-F273 HydrophobicContact CD1-CE2 4.23Å; L271-F273 HydrophobicContact CD1-CZ 3.9Å; L271-F273 HydrophobicContact CG-CZ 4.34Å
272	I	76.3	Confident	68.1	Low	120 Å²	120	121.3 Å²	121.3	62%	0.615	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-100	123	173.9	-58.1	-172.3	0	0	0	107.6	P268 S270	P268-I272 HydrophobicContact CB-CD1 3.66Å; P268-I272 HydrophobicContact CB-CG1 3.92Å; P268-I272 HydrophobicContact CG-CB 4.5Å; P268-I272 HydrophobicContact CG-CD1 3.48Å; P268-I272 VanDerWaalsContact CG-CD1 3.48Å; P268-I272 HydrophobicContact CG-CG1 3.64Å; S270-I272 PolarHBondContact O-N 3.14Å
273	F	77.3	Confident	66.8	Low	149 Å²	149	124.9 Å²	124.9	65%	0.654	71%	0.714	S	S	*	*			trans	-116.4	120.7	174.9	-57.8	-76.5	0	0	0	108.2	L271 H275	L271-F273 HydrophobicContact CB-CD2 4.33Å; L271-F273 HydrophobicContact CB-CE2 3.51Å; L271-F273 HydrophobicContact CB-CZ 3.68Å; L271-F273 HydrophobicContact CD1-CE2 4.23Å; L271-F273 HydrophobicContact CD1-CZ 3.9Å; L271-F273 HydrophobicContact CG-CZ 4.34Å; F273-H275 PolarHBondContact O-N 2.98Å
274	D	73.4	Confident	65.5	Low	158 Å²	158	126.6 Å²	126.6	85%	0.845	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-67.4	122.4	170.9	-71.2	-32.8	0	0	0	108.7	P276	D274-P276 WeakPolarHBondContact O-CD 3.26Å
275	H	66	Low	63.9	Low	169 Å²	169	124.3 Å²	124.3	78%	0.782	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-79	121.6	172.2	-78.9	-66.5	0	0	0	108.9	F273 E277	F273-H275 PolarHBondContact O-N 2.98Å; H275-E277 PolarHBondContact O-N 3.23Å
276	P	55	Low	62.3	Low	115 Å²	115	123.7 Å²	123.7	75%	0.747	72%	0.723	S	S	*	*	S	Bend	trans	-67.6	133	172.4	29	-30.7	0	0	0	108.1	D274	D274-P276 WeakPolarHBondContact O-CD 3.26Å
277	E	53.5	Low	60.1	Low	184 Å²	184	126.2 Å²	126.2	86%	0.86	73%	0.73	S	S	*	*			trans	80.9	76.7	171.3	-52.9	-178.8	177	0	0	117	H275	H275-E277 PolarHBondContact O-N 3.23Å
278	S	52.1	Low	58.7	Low	124 Å²	124	138.1 Å²	138.1	87%	0.867	78%	0.775	S	S	*	*			trans	-124.5	55.6	139.1	71.9	0	0	0	0	109.6
279	S	48.1	Very low	57.8	Low	106 Å²	106	141.5 Å²	141.5	74%	0.741	79%	0.791	S	S	*	*			trans	-120.8	60.2	175.5	64.7	0	0	0	0	110.9
280	S	45.7	Very low	56.7	Low	114 Å²	114	137.9 Å²	137.9	80%	0.797	78%	0.781	S	S	*	*			trans	-169.3	74.9	163.5	61.3	0	0	0	0	113
281	S	47.3	Very low	55.3	Low	101 Å²	101	141.3 Å²	141.3	71%	0.706	79%	0.794	S	S	*	*			trans	173.1	112.8	159	51.5	0	0	0	0	105.1
282	D	51	Low	54.1	Low	131 Å²	131	141.1 Å²	141.1	70%	0.701	80%	0.797	S	S	*	*			cis	-163	114	37.6	-78.8	-44.2	0	0	0	108	T284	D282-T284 PolarHBondContact O-N 2.89Å
283	A	48.6	Very low	52.7	Low	113 Å²	113	142.4 Å²	142.4	93%	0.934	81%	0.808	S	S	*	*			trans	-86.2	72.3	162.4	0	0	0	0	0	108.2
284	T	47.4	Very low	51.1	Low	102 Å²	102	142 Å²	142	63%	0.626	82%	0.819	S	S	*	*			trans	-155.9	125	175.3	29.1	0	0	0	0	104.7	D282	D282-T284 PolarHBondContact O-N 2.89Å
285	T	45.8	Very low	49.5	Very low	118 Å²	118	140.9 Å²	140.9	72%	0.724	82%	0.817	S	S	*	*			cis	-178.7	147.1	27.2	-75.6	0	0	0	0	104.1
286	S	47.6	Very low	48.2	Very low	112 Å²	112	138.7 Å²	138.7	78%	0.783	82%	0.819	S	S	*	*			trans	155	84.5	135.1	-70.3	0	0	0	0	111.1
287	Q	38.7	Very low	47.7	Very low	199 Å²	199	140.7 Å²	140.7	93%	0.93	83%	0.825	S	S	*	*			trans	-116.2	102.4	145.9	-80.8	-175	-13.7	0	0	106.7
288	K	46.4	Very low	47.1	Very low	284 Å²	284	136.7 Å²	136.7	100%	1.235	82%	0.822	S	S	*	*			trans	-158.8	0	149.7	-105.1	-175.9	-173	-177.2	0	108.2

Retrieved 288 of 288 residues in 192.8 ms (Link to these results)

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