A0A077ZHX4_TRITR Loading...

Transcriptional regulatory protein WalR

AlphaFold DB , UniProt , Accession A0A077ZHX4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 356 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	41.7	Very low	47.3	Very low	194 Å²	194	104.6 Å²	104.6	96%	0.956	51%	0.513	S	S	*	.				0	69.2	0	-171.5	177.5	74.1	0	0	107.3
2	E	54.5	Low	47.8	Very low	60 Å²	60	98.8 Å²	98.8	28%	0.28	50%	0.5	S	S	.	.			trans	-157.7	-33.6	-174.5	-133.9	147.7	-127.2	0	0	111.1	T4 K5 L6	E2-T4 PolarHBondContact O-N 2.87Å; E2-K5 CarbonylContact O-C 3.54Å; E2-K5 WeakPolarHBondContact O-CA 3.36Å; E2-K5 PolarHBondContact O-N 3.17Å; E2-L6 WeakPolarHBondContact O-CB 3.2Å; E2-L6 PolarHBondContact O-N 3.04Å
3	E	39	Very low	47.6	Very low	126 Å²	126	94.5 Å²	94.5	59%	0.589	48%	0.479	S	S	*	.	H	α-helix	trans	-52.4	-33.4	167.1	-153.7	-164	160.3	0	0	111.6	R7	E3-R7 WeakPolarHBondContact O-CA 3.42Å; E3-R7 WeakPolarHBondContact O-CB 3.46Å; E3-R7 WeakPolarHBondContact O-CG 3.35Å; E3-R7 PolarHBondContact O-N 3.06Å; E3-R7 IonicContact OE1-CZ 3.11Å; E3-R7 VanDerWaalsContact OE1-CZ 3.27Å; E3-R7 IonicContact OE1-NE 3.07Å; E3-R7 PolarHBondContact OE1-NE 2.98Å; E3-R7 IonicContact OE1-NH2 2.69Å; E3-R7 PolarHBondContact OE1-NH2 2.71Å
4	T	48.3	Very low	47.6	Very low	107 Å²	107	97.2 Å²	97.2	66%	0.656	49%	0.486	S	S	*	.	H	α-helix	trans	-71.2	-35.8	173.5	-37.3	0	0	0	0	113.4	E2 S8	E2-T4 PolarHBondContact O-N 2.87Å; T4-S8 WeakPolarHBondContact O-CA 3.41Å; T4-S8 WeakPolarHBondContact O-CB 3.46Å; T4-S8 PolarHBondContact O-N 3.35Å
5	K	46.2	Very low	47.8	Very low	149 Å²	149	102.1 Å²	102.1	65%	0.648	51%	0.506	S	S	*	.	H	α-helix	trans	-74.3	-42.2	174.8	-86.4	-173.1	176.8	-179.7	0	110.9	E2 S8 W9	E2-K5 CarbonylContact O-C 3.54Å; E2-K5 WeakPolarHBondContact O-CA 3.36Å; E2-K5 PolarHBondContact O-N 3.17Å; K5-S8 PolarHBondContact O-N 2.84Å; K5-W9 WeakPolarHBondContact O-CB 3.5Å; K5-W9 PolarHBondContact O-N 3.31Å
6	L	44.4	Very low	47.8	Very low	54 Å²	54	102.8 Å²	102.8	28%	0.283	51%	0.512	S	S	.	.	H	α-helix	trans	-59.3	-48.6	172	-117.9	156.7	0	0	0	110	E2 W9 A10 I94 I120	E2-L6 WeakPolarHBondContact O-CB 3.2Å; E2-L6 PolarHBondContact O-N 3.04Å; L6-W9 PolarHBondContact O-N 3.19Å; L6-A10 WeakPolarHBondContact O-CA 3.39Å; L6-A10 WeakPolarHBondContact O-CB 3.5Å; L6-A10 PolarHBondContact O-N 3.13Å; L6-I94 HydrophobicContact CD1-CD1 4.37Å; L6-I120 HydrophobicContact CD1-CD1 4.43Å; L6-I120 HydrophobicContact CD2-CD1 3.91Å; L6-I120 HydrophobicContact CG-CD1 3.85Å
7	R	46.5	Very low	47.8	Very low	148 Å²	148	109.8 Å²	109.8	56%	0.558	53%	0.531	S	S	*	.	H	α-helix	trans	-62.2	-45.4	173.1	-77.7	174	-177.7	-132.6	5.6	111.5	E3 W9 A10 E11	E3-R7 WeakPolarHBondContact O-CA 3.42Å; E3-R7 WeakPolarHBondContact O-CB 3.46Å; E3-R7 WeakPolarHBondContact O-CG 3.35Å; E3-R7 PolarHBondContact O-N 3.06Å; E3-R7 IonicContact OE1-CZ 3.11Å; E3-R7 VanDerWaalsContact OE1-CZ 3.27Å; E3-R7 IonicContact OE1-NE 3.07Å; E3-R7 PolarHBondContact OE1-NE 2.98Å; E3-R7 IonicContact OE1-NH2 2.69Å; E3-R7 PolarHBondContact OE1-NH2 2.71Å; R7-W9 PolarHBondContact O-N 3.46Å; R7-A10 CarbonylContact O-C 3.55Å; R7-E11 WeakPolarHBondContact O-CA 3.47Å; R7-E11 WeakPolarHBondContact O-CB 3.23Å; R7-E11 WeakPolarHBondContact O-CG 3.17Å; R7-E11 PolarHBondContact O-N 3.35Å
8	S	51.1	Low	48	Very low	73 Å²	73	107.8 Å²	107.8	51%	0.51	52%	0.523	S	S	.	.	H	α-helix	trans	-64.6	-39.5	179.4	171.3	0	0	0	0	112.4	T4 K5 G12	T4-S8 WeakPolarHBondContact O-CA 3.41Å; T4-S8 WeakPolarHBondContact O-CB 3.46Å; T4-S8 PolarHBondContact O-N 3.35Å; K5-S8 PolarHBondContact O-N 2.84Å; S8-G12 PolarHBondContact O-N 3.04Å
9	W	49.4	Very low	48	Very low	94 Å²	94	104.7 Å²	104.7	36%	0.356	51%	0.512	S	S	.	.	H	α-helix	trans	-77	-43.2	179.9	-168.1	78.4	0	0	0	110.6	K5 L6 R7 E11 G12 L13 V92	K5-W9 WeakPolarHBondContact O-CB 3.5Å; K5-W9 PolarHBondContact O-N 3.31Å; L6-W9 PolarHBondContact O-N 3.19Å; R7-W9 PolarHBondContact O-N 3.46Å; W9-E11 VanDerWaalsContact C-N 3.29Å; W9-E11 PolarHBondContact O-N 2.9Å; W9-G12 CarbonylContact O-C 3.11Å; W9-G12 WeakPolarHBondContact O-CA 3.37Å; W9-G12 PolarHBondContact O-N 3.37Å; W9-G12 VanDerWaalsContact O-N 3.14Å; W9-L13 HydrophobicContact CD2-CD1 4.29Å; W9-L13 HydrophobicContact CE3-CD1 3.67Å; W9-L13 HydrophobicContact CE3-CG 4.36Å; W9-L13 HydrophobicContact CH2-CD1 3.67Å; W9-L13 HydrophobicContact CH2-CG 4.45Å; W9-L13 HydrophobicContact CZ2-CD1 4.29Å; W9-L13 HydrophobicContact CZ3-CD1 3.32Å; W9-L13 HydrophobicContact CZ3-CG 4.31Å; W9-L13 WeakPolarHBondContact O-CG 3.17Å; W9-L13 PolarHBondContact O-N 2.83Å; W9-V92 HydrophobicContact CH2-CB 4.36Å; W9-V92 HydrophobicContact CH2-CG1 4.19Å; W9-V92 HydrophobicContact CH2-CG2 3.32Å; W9-V92 HydrophobicContact CZ3-CB 4.03Å; W9-V92 HydrophobicContact CZ3-CG1 3.69Å; W9-V92 HydrophobicContact CZ3-CG2 3.4Å; W9-V92 VanDerWaalsContact CZ3-CG2 3.4Å
10	A	48.5	Very low	48.2	Very low	36 Å²	36	106.9 Å²	106.9	30%	0.298	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-32.6	169.8	0	0	0	0	0	112.3	L6 R7 L13 K14	L6-A10 WeakPolarHBondContact O-CA 3.39Å; L6-A10 WeakPolarHBondContact O-CB 3.5Å; L6-A10 PolarHBondContact O-N 3.13Å; R7-A10 CarbonylContact O-C 3.55Å; A10-L13 PolarHBondContact O-N 2.9Å; A10-K14 WeakPolarHBondContact O-CG 3.2Å; A10-K14 PolarHBondContact O-N 3.17Å
11	E	51	Low	48.5	Very low	110 Å²	110	105.9 Å²	105.9	51%	0.514	51%	0.506	S	S	.	.	H	α-helix	trans	-68.9	-41.5	171	-83.8	167.6	156.3	0	0	110.6	R7 W9 L13 K14 E15	R7-E11 WeakPolarHBondContact O-CA 3.47Å; R7-E11 WeakPolarHBondContact O-CB 3.23Å; R7-E11 WeakPolarHBondContact O-CG 3.17Å; R7-E11 PolarHBondContact O-N 3.35Å; W9-E11 VanDerWaalsContact C-N 3.29Å; W9-E11 PolarHBondContact O-N 2.9Å; E11-L13 VanDerWaalsContact C-N 3.3Å; E11-L13 PolarHBondContact O-N 3.38Å; E11-K14 WeakPolarHBondContact O-CB 3.48Å; E11-K14 PolarHBondContact O-N 3.09Å; E11-K14 VanDerWaalsContact O-N 3.13Å; E11-E15 PolarHBondContact O-N 3.32Å
12	G	53.4	Low	49.1	Very low	34 Å²	34	100.9 Å²	100.9	35%	0.351	48%	0.48	S	S	.	.	H	α-helix	trans	-59.1	-40.1	169.9	0	0	0	0	0	112.5	S8 W9 E15 L16	S8-G12 PolarHBondContact O-N 3.04Å; W9-G12 CarbonylContact O-C 3.11Å; W9-G12 WeakPolarHBondContact O-CA 3.37Å; W9-G12 PolarHBondContact O-N 3.37Å; W9-G12 VanDerWaalsContact O-N 3.14Å; G12-E15 WeakPolarHBondContact O-CB 3.37Å; G12-E15 PolarHBondContact O-N 3.29Å; G12-L16 PolarHBondContact O-N 2.67Å
13	L	45.2	Very low	49.1	Very low	43 Å²	43	104.1 Å²	104.1	23%	0.225	50%	0.495	C	S	.	.	H	α-helix	trans	-69.2	-34.2	173.2	-69.9	176.3	0	0	0	112.5	W9 A10 E11 E15 L16 R17 L18	W9-L13 HydrophobicContact CD2-CD1 4.29Å; W9-L13 HydrophobicContact CE3-CD1 3.67Å; W9-L13 HydrophobicContact CE3-CG 4.36Å; W9-L13 HydrophobicContact CH2-CD1 3.67Å; W9-L13 HydrophobicContact CH2-CG 4.45Å; W9-L13 HydrophobicContact CZ2-CD1 4.29Å; W9-L13 HydrophobicContact CZ3-CD1 3.32Å; W9-L13 HydrophobicContact CZ3-CG 4.31Å; W9-L13 WeakPolarHBondContact O-CG 3.17Å; W9-L13 PolarHBondContact O-N 2.83Å; A10-L13 PolarHBondContact O-N 2.9Å; E11-L13 VanDerWaalsContact C-N 3.3Å; E11-L13 PolarHBondContact O-N 3.38Å; L13-E15 PolarHBondContact O-N 3.41Å; L13-L16 HydrophobicContact CD2-CD1 3.98Å; L13-L16 WeakPolarHBondContact O-CA 3.32Å; L13-L16 WeakPolarHBondContact O-CB 3.44Å; L13-L16 PolarHBondContact O-N 2.65Å; L13-R17 PolarHBondContact O-N 3.34Å; L13-L18 HydrophobicContact CD2-CD1 4.21Å
14	K	47.4	Very low	49.9	Very low	133 Å²	133	99.6 Å²	99.6	58%	0.578	48%	0.475	S	S	*	.	H	α-helix	trans	-61.9	-32.3	171.5	-77.2	174.3	-175	174.7	0	111.6	A10 E11 L16 R17	A10-K14 WeakPolarHBondContact O-CG 3.2Å; A10-K14 PolarHBondContact O-N 3.17Å; E11-K14 WeakPolarHBondContact O-CB 3.48Å; E11-K14 PolarHBondContact O-N 3.09Å; E11-K14 VanDerWaalsContact O-N 3.13Å; K14-L16 PolarHBondContact O-N 3.24Å; K14-R17 PolarHBondContact O-N 3.42Å
15	E	49.9	Very low	50.3	Low	170 Å²	170	98.7 Å²	98.7	79%	0.794	47%	0.471	S	S	*	.	H	α-helix	trans	-63.9	-31.4	172.9	-62.2	-154.4	151.6	0	0	112.2	E11 G12 L13 R17	E11-E15 PolarHBondContact O-N 3.32Å; G12-E15 WeakPolarHBondContact O-CB 3.37Å; G12-E15 PolarHBondContact O-N 3.29Å; L13-E15 PolarHBondContact O-N 3.41Å; E15-R17 PolarHBondContact O-N 2.82Å
16	L	47.8	Very low	50.6	Low	114 Å²	114	96.1 Å²	96.1	60%	0.597	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.6	173.2	-67.8	164.1	0	0	0	113.2	G12 L13 K14 L18	G12-L16 PolarHBondContact O-N 2.67Å; L13-L16 HydrophobicContact CD2-CD1 3.98Å; L13-L16 WeakPolarHBondContact O-CA 3.32Å; L13-L16 WeakPolarHBondContact O-CB 3.44Å; L13-L16 PolarHBondContact O-N 2.65Å; K14-L16 PolarHBondContact O-N 3.24Å; L16-L18 HydrophobicContact CB-CD1 4.13Å; L16-L18 HydrophobicContact CB-CD2 4.37Å; L16-L18 HydrophobicContact CB-CG 3.81Å; L16-L18 HydrophobicContact CD1-CD1 4.35Å; L16-L18 PolarHBondContact O-N 3.01Å; L16-L18 VanDerWaalsContact O-N 3.15Å
17	R	49.1	Very low	51	Low	222 Å²	222	94.1 Å²	94.1	84%	0.838	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	37.4	-179.1	-62.4	-174.3	177.7	-170.8	-0.4	113.3	L13 K14 E15	L13-R17 PolarHBondContact O-N 3.34Å; K14-R17 PolarHBondContact O-N 3.42Å; E15-R17 PolarHBondContact O-N 2.82Å
18	L	49.9	Very low	51.6	Low	74 Å²	74	91 Å²	91	39%	0.387	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-71	134	176.5	-59	174.8	0	0	0	109	L13 L16 F86	L13-L18 HydrophobicContact CD2-CD1 4.21Å; L16-L18 HydrophobicContact CB-CD1 4.13Å; L16-L18 HydrophobicContact CB-CD2 4.37Å; L16-L18 HydrophobicContact CB-CG 3.81Å; L16-L18 HydrophobicContact CD1-CD1 4.35Å; L16-L18 PolarHBondContact O-N 3.01Å; L16-L18 VanDerWaalsContact O-N 3.15Å; L18-F86 HydrophobicContact CD2-CD1 3.9Å; L18-F86 HydrophobicContact CD2-CE1 3.64Å
19	P	48.7	Very low	51.8	Low	49 Å²	49	92.3 Å²	92.3	32%	0.318	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-62.4	145	171.4	26.1	-31.4	0	0	0	109.2	E23 F86	P19-E23 WeakPolarHBondContact CA-OE2 3.19Å; P19-F86 HydrophobicContact CG-CE2 4.36Å; P19-F86 HydrophobicContact CG-CZ 4.33Å
20	R	52.8	Low	52.2	Low	148 Å²	148	89.1 Å²	89.1	56%	0.558	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-76.3	150.9	170.4	-53.7	-171.9	-172.8	176.4	6	109	E22 E23	R20-E22 WeakPolarHBondContact CB-OE2 3.41Å; R20-E22 VanDerWaalsContact CD-OE2 3.26Å; R20-E22 WeakPolarHBondContact CD-OE2 3.42Å; R20-E22 PolarHBondContact O-N 2.8Å; R20-E23 HydrophobicContact CB-CG 4.3Å; R20-E23 PolarHBondContact N-OE2 3.2Å; R20-E23 WeakPolarHBondContact O-CA 3.45Å; R20-E23 VanDerWaalsContact O-CB 3.29Å; R20-E23 WeakPolarHBondContact O-CB 3.06Å; R20-E23 PolarHBondContact O-N 2.72Å
21	W	53.4	Low	52.8	Low	86 Å²	86	88 Å²	88	33%	0.326	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-62.6	-26.2	177.5	68.4	-82.7	0	0	0	112.2	E23 L24 L27 E28 M31	W21-E23 PolarHBondContact O-N 3.33Å; W21-L24 CarbonylContact O-C 3.49Å; W21-L24 WeakPolarHBondContact O-CA 3.44Å; W21-L24 WeakPolarHBondContact O-CB 3.5Å; W21-L24 PolarHBondContact O-N 3.42Å; W21-L27 HydrophobicContact CB-CD2 3.56Å; W21-L27 HydrophobicContact CB-CG 4.21Å; W21-E28 HydrophobicContact CE3-CB 3.95Å; W21-E28 HydrophobicContact CE3-CG 4.34Å; W21-E28 HydrophobicContact CH2-CG 4.4Å; W21-E28 VanDerWaalsContact CZ3-CA 3.5Å; W21-E28 HydrophobicContact CZ3-CB 3.75Å; W21-E28 HydrophobicContact CZ3-CG 3.68Å; W21-M31 HydrophobicContact CE3-CB 4.33Å; W21-M31 HydrophobicContact CE3-CG 4.24Å; W21-M31 HydrophobicContact CZ3-CB 3.93Å; W21-M31 HydrophobicContact CZ3-CG 4.34Å
22	E	53.7	Low	53.2	Low	89 Å²	89	87 Å²	87	42%	0.416	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-66	-14.1	172.4	-51.4	104	177.3	0	0	112.9	R20 L24	R20-E22 WeakPolarHBondContact CB-OE2 3.41Å; R20-E22 VanDerWaalsContact CD-OE2 3.26Å; R20-E22 WeakPolarHBondContact CD-OE2 3.42Å; R20-E22 PolarHBondContact O-N 2.8Å; E22-L24 VanDerWaalsContact C-N 3.3Å
23	E	55.4	Low	53.5	Low	127 Å²	127	87.8 Å²	87.8	59%	0.593	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-88.8	-0.7	172.6	-57.1	174.1	166.5	0	0	111.8	P19 R20 W21 P25	P19-E23 WeakPolarHBondContact CA-OE2 3.19Å; R20-E23 HydrophobicContact CB-CG 4.3Å; R20-E23 PolarHBondContact N-OE2 3.2Å; R20-E23 WeakPolarHBondContact O-CA 3.45Å; R20-E23 VanDerWaalsContact O-CB 3.29Å; R20-E23 WeakPolarHBondContact O-CB 3.06Å; R20-E23 PolarHBondContact O-N 2.72Å; W21-E23 PolarHBondContact O-N 3.33Å; E23-P25 WeakPolarHBondContact O-CD 3.08Å
24	L	56.4	Low	54.1	Low	32 Å²	32	85.8 Å²	85.8	17%	0.168	40%	0.402	C	S	.	.			trans	-116.6	88	178.4	-60.8	174.3	0	0	0	109.2	W21 E22 E26 L27 E28 I81	W21-L24 CarbonylContact O-C 3.49Å; W21-L24 WeakPolarHBondContact O-CA 3.44Å; W21-L24 WeakPolarHBondContact O-CB 3.5Å; W21-L24 PolarHBondContact O-N 3.42Å; E22-L24 VanDerWaalsContact C-N 3.3Å; L24-E26 PolarHBondContact O-N 3.47Å; L24-E26 VanDerWaalsContact O-N 3.1Å; L24-L27 HydrophobicContact CB-CB 3.98Å; L24-L27 HydrophobicContact CD1-CD2 4.2Å; L24-L27 PolarHBondContact O-N 3.03Å; L24-E28 PolarHBondContact O-N 3.16Å; L24-I81 HydrophobicContact CD1-CD1 4.16Å; L24-I81 HydrophobicContact CD1-CG1 4.33Å
25	P	55.4	Low	54.6	Low	88 Å²	88	81.7 Å²	81.7	57%	0.571	39%	0.386	S	S	*	.	H	α-helix	trans	-57	-32.2	-170.8	-25.3	33.7	0	0	0	114.3	E23 E28 L29	E23-P25 WeakPolarHBondContact O-CD 3.08Å; P25-E28 PolarHBondContact O-N 3.28Å; P25-L29 PolarHBondContact O-N 3.11Å; P25-L29 VanDerWaalsContact O-N 3.17Å
26	E	53	Low	54.9	Low	95 Å²	95	76.6 Å²	76.6	44%	0.444	37%	0.367	S	S	.	.	H	α-helix	trans	-67.5	-40.7	176.7	-62.3	105.5	-177.5	0	0	112.1	L24 Y30 L73 V77	L24-E26 PolarHBondContact O-N 3.47Å; L24-E26 VanDerWaalsContact O-N 3.1Å; E26-Y30 PolarHBondContact O-N 3.15Å; E26-L73 HydrophobicContact CB-CD2 3.99Å; E26-L73 HydrophobicContact CG-CD2 4.17Å; E26-V77 HydrophobicContact CB-CG2 3.58Å; E26-V77 HydrophobicContact CG-CG2 4.47Å
27	L	53.6	Low	55.4	Low	12 Å²	12	72.3 Å²	72.3	6%	0.063	34%	0.344	C	S	.	.	H	α-helix	trans	-69.9	-37.6	177.6	-173.4	58.6	0	0	0	110.4	W21 L24 Y30 M31 V77	W21-L27 HydrophobicContact CB-CD2 3.56Å; W21-L27 HydrophobicContact CB-CG 4.21Å; L24-L27 HydrophobicContact CB-CB 3.98Å; L24-L27 HydrophobicContact CD1-CD2 4.2Å; L24-L27 PolarHBondContact O-N 3.03Å; L27-Y30 PolarHBondContact O-N 3.26Å; L27-M31 HydrophobicContact CD1-CG 4.14Å; L27-M31 HydrophobicContact CG-CG 4.25Å; L27-M31 WeakPolarHBondContact O-CB 3.5Å; L27-M31 WeakPolarHBondContact O-CG 3.24Å; L27-M31 PolarHBondContact O-N 3.19Å; L27-V77 HydrophobicContact CB-CG1 4.18Å; L27-V77 HydrophobicContact CD1-CG1 4.29Å
28	E	57.8	Low	55.5	Low	82 Å²	82	61.9 Å²	61.9	38%	0.383	31%	0.305	S	S	.	.	H	α-helix	trans	-62	-49.1	179.1	179.1	176.6	-157	0	0	112.4	W21 L24 P25 Y30 M31 D32	W21-E28 HydrophobicContact CE3-CB 3.95Å; W21-E28 HydrophobicContact CE3-CG 4.34Å; W21-E28 HydrophobicContact CH2-CG 4.4Å; W21-E28 VanDerWaalsContact CZ3-CA 3.5Å; W21-E28 HydrophobicContact CZ3-CB 3.75Å; W21-E28 HydrophobicContact CZ3-CG 3.68Å; L24-E28 PolarHBondContact O-N 3.16Å; P25-E28 PolarHBondContact O-N 3.28Å; E28-Y30 VanDerWaalsContact C-N 3.29Å; E28-Y30 PolarHBondContact O-N 3.06Å; E28-M31 PolarHBondContact O-N 2.99Å; E28-D32 PolarHBondContact O-N 3.3Å
29	L	56.4	Low	55.6	Low	100 Å²	100	62.3 Å²	62.3	52%	0.524	31%	0.308	S	S	.	.	H	α-helix	trans	-59.8	-40.8	177.2	-175.9	66	0	0	0	112.2	P25 Q33	P25-L29 PolarHBondContact O-N 3.11Å; P25-L29 VanDerWaalsContact O-N 3.17Å; L29-Q33 VanDerWaalsContact O-CG 3.31Å; L29-Q33 WeakPolarHBondContact O-CG 3.39Å; L29-Q33 PolarHBondContact O-N 2.87Å; L29-Q33 VanDerWaalsContact O-N 3.12Å
30	Y	56.9	Low	55.9	Low	27 Å²	27	69.9 Å²	69.9	11%	0.106	33%	0.33	C	S	.	.	H	α-helix	trans	-65	-47.5	178.3	177.9	-105.4	0	0	0	111.9	E26 L27 E28 D32 Q33 V34 L68 I74 L108	E26-Y30 PolarHBondContact O-N 3.15Å; L27-Y30 PolarHBondContact O-N 3.26Å; E28-Y30 VanDerWaalsContact C-N 3.29Å; E28-Y30 PolarHBondContact O-N 3.06Å; Y30-D32 VanDerWaalsContact C-N 3.34Å; Y30-D32 PolarHBondContact O-N 3.07Å; Y30-Q33 PolarHBondContact O-N 3.08Å; Y30-V34 HydrophobicContact CD1-CG2 4.34Å; Y30-V34 HydrophobicContact CE1-CG2 3.83Å; Y30-V34 HydrophobicContact CE2-CG2 4Å; Y30-V34 WeakPolarHBondContact O-CG2 3.49Å; Y30-V34 PolarHBondContact O-N 2.97Å; Y30-L68 HydrophobicContact CD2-CD2 4.03Å; Y30-L68 HydrophobicContact CE2-CD2 4.31Å; Y30-I74 HydrophobicContact CD2-CD1 4.02Å; Y30-I74 HydrophobicContact CD2-CG1 3.96Å; Y30-I74 HydrophobicContact CE1-CD1 4.12Å; Y30-I74 HydrophobicContact CE1-CG1 4.3Å; Y30-I74 HydrophobicContact CE2-CD1 3.26Å; Y30-I74 HydrophobicContact CE2-CG1 3.72Å; Y30-I74 HydrophobicContact CG-CG1 4.37Å; Y30-I74 WeakPolarHBondContact OH-CD1 3.44Å; Y30-L108 HydrophobicContact CE1-CD1 4.29Å
31	M	60.6	Low	55.9	Low	14 Å²	14	64.5 Å²	64.5	7%	0.069	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-42.6	179.2	-68.8	-67.1	-65	0	0	111.1	W21 L27 E28 Q33 V34 I35 I91 L105	W21-M31 HydrophobicContact CE3-CB 4.33Å; W21-M31 HydrophobicContact CE3-CG 4.24Å; W21-M31 HydrophobicContact CZ3-CB 3.93Å; W21-M31 HydrophobicContact CZ3-CG 4.34Å; L27-M31 HydrophobicContact CD1-CG 4.14Å; L27-M31 HydrophobicContact CG-CG 4.25Å; L27-M31 WeakPolarHBondContact O-CB 3.5Å; L27-M31 WeakPolarHBondContact O-CG 3.24Å; L27-M31 PolarHBondContact O-N 3.19Å; E28-M31 PolarHBondContact O-N 2.99Å; M31-Q33 VanDerWaalsContact C-N 3.3Å; M31-Q33 PolarHBondContact O-N 3.43Å; M31-V34 PolarHBondContact O-N 2.85Å; M31-I35 WeakPolarHBondContact O-CB 3.22Å; M31-I35 WeakPolarHBondContact O-CD1 3.35Å; M31-I35 WeakPolarHBondContact O-CG1 3.42Å; M31-I35 PolarHBondContact O-N 2.78Å; M31-I91 HydrophobicContact CE-CD1 4.49Å; M31-L105 HydrophobicContact CE-CD1 3.58Å; M31-L105 HydrophobicContact CE-CD2 3.28Å; M31-L105 HydrophobicContact CE-CG 4.07Å; M31-L105 HydrophobicContact SD-CD2 3.55Å; M31-L105 VanDerWaalsContact SD-CD2 3.55Å
32	D	61	Low	55.8	Low	89 Å²	89	70 Å²	70	48%	0.476	33%	0.333	S	S	.	.	H	α-helix	trans	-61.8	-37.3	176.1	-112.7	23.1	0	0	0	112.5	E28 Y30 T36	E28-D32 PolarHBondContact O-N 3.3Å; Y30-D32 VanDerWaalsContact C-N 3.34Å; Y30-D32 PolarHBondContact O-N 3.07Å; D32-T36 WeakPolarHBondContact O-CB 3.43Å; D32-T36 PolarHBondContact O-N 2.93Å; D32-T36 PolarHBondContact O-OG1 2.68Å
33	Q	59.1	Low	55.4	Low	50 Å²	50	70.9 Å²	70.9	23%	0.234	34%	0.337	C	S	.	.	H	α-helix	trans	-68.9	-41.7	175.5	-75.1	175.2	-28.3	0	0	112.1	L29 Y30 M31 T36 L37 L63 L68	L29-Q33 VanDerWaalsContact O-CG 3.31Å; L29-Q33 WeakPolarHBondContact O-CG 3.39Å; L29-Q33 PolarHBondContact O-N 2.87Å; L29-Q33 VanDerWaalsContact O-N 3.12Å; Y30-Q33 PolarHBondContact O-N 3.08Å; M31-Q33 VanDerWaalsContact C-N 3.3Å; M31-Q33 PolarHBondContact O-N 3.43Å; Q33-T36 PolarHBondContact O-N 2.86Å; Q33-L37 VanDerWaalsContact O-CB 3.26Å; Q33-L37 WeakPolarHBondContact O-CB 3.44Å; Q33-L37 PolarHBondContact O-N 3.11Å; Q33-L63 HydrophobicContact CB-CD2 4.16Å; Q33-L68 VanDerWaalsContact OE1-CG 3.27Å
34	V	57.9	Low	54.9	Low	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.6	-48.1	174.3	173.4	0	0	0	0	110.2	Y30 M31 T36 L37 V38 L63 L105 L108	Y30-V34 HydrophobicContact CD1-CG2 4.34Å; Y30-V34 HydrophobicContact CE1-CG2 3.83Å; Y30-V34 HydrophobicContact CE2-CG2 4Å; Y30-V34 WeakPolarHBondContact O-CG2 3.49Å; Y30-V34 PolarHBondContact O-N 2.97Å; M31-V34 PolarHBondContact O-N 2.85Å; V34-T36 PolarHBondContact O-N 2.89Å; V34-L37 PolarHBondContact O-N 3.07Å; V34-V38 HydrophobicContact CG1-CG2 4.28Å; V34-V38 WeakPolarHBondContact O-CB 3.29Å; V34-V38 WeakPolarHBondContact O-CG2 3.35Å; V34-V38 PolarHBondContact O-N 2.8Å; V34-L63 HydrophobicContact CG2-CD1 4.44Å; V34-L105 HydrophobicContact CG1-CD2 4.43Å; V34-L108 HydrophobicContact CG1-CD1 4.37Å; V34-L108 HydrophobicContact CG2-CD1 4.36Å
35	I	56.8	Low	54.2	Low	47 Å²	47	73.3 Å²	73.3	24%	0.241	34%	0.339	C	S	.	.	H	α-helix	trans	-57.3	-50	176.4	-66.8	162.2	0	0	0	110	M31 L37 V38 D39 T101	M31-I35 WeakPolarHBondContact O-CB 3.22Å; M31-I35 WeakPolarHBondContact O-CD1 3.35Å; M31-I35 WeakPolarHBondContact O-CG1 3.42Å; M31-I35 PolarHBondContact O-N 2.78Å; I35-L37 VanDerWaalsContact C-N 3.32Å; I35-L37 PolarHBondContact O-N 3.09Å; I35-V38 PolarHBondContact O-N 3.07Å; I35-D39 WeakPolarHBondContact O-CB 3.38Å; I35-D39 PolarHBondContact O-N 3.27Å; I35-T101 HydrophobicContact CB-CG2 4.36Å; I35-T101 HydrophobicContact CG1-CG2 3.57Å
36	T	58.2	Low	53.6	Low	63 Å²	63	74.4 Å²	74.4	39%	0.387	34%	0.34	S	S	.	.	H	α-helix	trans	-62.5	-38.2	179.9	-60.2	0	0	0	0	112.3	D32 Q33 V34 R40	D32-T36 WeakPolarHBondContact O-CB 3.43Å; D32-T36 PolarHBondContact O-N 2.93Å; D32-T36 PolarHBondContact O-OG1 2.68Å; Q33-T36 PolarHBondContact O-N 2.86Å; V34-T36 PolarHBondContact O-N 2.89Å; T36-R40 WeakPolarHBondContact O-CB 3.33Å; T36-R40 VanDerWaalsContact O-CG 3.23Å; T36-R40 WeakPolarHBondContact O-CG 3.43Å; T36-R40 PolarHBondContact O-N 2.9Å
37	L	56.4	Low	52.9	Low	24 Å²	24	71.3 Å²	71.3	13%	0.126	33%	0.334	C	S	.	.	H	α-helix	trans	-65.7	-48.9	177.3	-174.4	81.1	0	0	0	110.5	Q33 V34 I35 D39 R40 D41 I59 E62 L63	Q33-L37 VanDerWaalsContact O-CB 3.26Å; Q33-L37 WeakPolarHBondContact O-CB 3.44Å; Q33-L37 PolarHBondContact O-N 3.11Å; V34-L37 PolarHBondContact O-N 3.07Å; I35-L37 VanDerWaalsContact C-N 3.32Å; I35-L37 PolarHBondContact O-N 3.09Å; L37-D39 VanDerWaalsContact C-N 3.34Å; L37-D39 PolarHBondContact O-N 2.83Å; L37-R40 PolarHBondContact O-N 2.92Å; L37-D41 PolarHBondContact O-N 2.69Å; L37-D41 VanDerWaalsContact O-N 3.15Å; L37-I59 HydrophobicContact CD2-CB 4.4Å; L37-I59 HydrophobicContact CD2-CG1 3.82Å; L37-E62 HydrophobicContact CD1-CB 3.46Å; L37-E62 VanDerWaalsContact CD1-CB 3.46Å; L37-E62 HydrophobicContact CD1-CG 4.17Å; L37-L63 HydrophobicContact CD2-CD1 4.11Å; L37-L63 HydrophobicContact CD2-CG 4.25Å
38	V	52.5	Low	52.3	Low	4 Å²	4	74 Å²	74	2%	0.024	35%	0.348	C	S	.	.	H	α-helix	trans	-61	-43.3	178.1	172.3	0	0	0	0	110.7	V34 I35 R40 D41 Y44 A104	V34-V38 HydrophobicContact CG1-CG2 4.28Å; V34-V38 WeakPolarHBondContact O-CB 3.29Å; V34-V38 WeakPolarHBondContact O-CG2 3.35Å; V34-V38 PolarHBondContact O-N 2.8Å; I35-V38 PolarHBondContact O-N 3.07Å; V38-R40 VanDerWaalsContact C-N 3.31Å; V38-R40 PolarHBondContact O-N 3Å; V38-D41 PolarHBondContact O-N 2.74Å; V38-Y44 HydrophobicContact CG1-CD1 3.81Å; V38-Y44 HydrophobicContact CG1-CD2 4.34Å; V38-Y44 HydrophobicContact CG1-CE1 4.04Å; V38-Y44 HydrophobicContact CG1-CG 3.85Å; V38-Y44 VanDerWaalsContact O-CB 3.28Å; V38-Y44 WeakPolarHBondContact O-CB 3.24Å; V38-A104 HydrophobicContact CG2-CB 3.64Å
39	D	52.3	Low	51.6	Low	83 Å²	83	73.2 Å²	73.2	44%	0.444	35%	0.346	S	S	.	.	H	α-helix	trans	-70.8	-23.3	179.2	-76.6	-7.3	0	0	0	113.9	I35 L37	I35-D39 WeakPolarHBondContact O-CB 3.38Å; I35-D39 PolarHBondContact O-N 3.27Å; L37-D39 VanDerWaalsContact C-N 3.34Å; L37-D39 PolarHBondContact O-N 2.83Å
40	R	53.4	Low	51	Low	207 Å²	207	69.1 Å²	69.1	78%	0.781	32%	0.324	S	S	*	.	H	α-helix	trans	-79.8	-29.5	175.2	-84.2	179	-176.5	-173.5	5.1	112.5	T36 L37 V38 R42	T36-R40 WeakPolarHBondContact O-CB 3.33Å; T36-R40 VanDerWaalsContact O-CG 3.23Å; T36-R40 WeakPolarHBondContact O-CG 3.43Å; T36-R40 PolarHBondContact O-N 2.9Å; L37-R40 PolarHBondContact O-N 2.92Å; V38-R40 VanDerWaalsContact C-N 3.31Å; V38-R40 PolarHBondContact O-N 3Å; R40-R42 PolarHBondContact O-N 3.07Å
41	D	54.3	Low	50.3	Low	36 Å²	36	69.4 Å²	69.4	19%	0.193	33%	0.331	C	S	.	.			trans	-73.1	124.6	178.9	-164.5	-63.1	0	0	0	109.3	L37 V38 E43 Y44 R45 L58	L37-D41 PolarHBondContact O-N 2.69Å; L37-D41 VanDerWaalsContact O-N 3.15Å; V38-D41 PolarHBondContact O-N 2.74Å; D41-E43 VanDerWaalsContact C-N 3.33Å; D41-E43 WeakPolarHBondContact OD1-CB 3.34Å; D41-E43 PolarHBondContact OD1-N 3.45Å; D41-Y44 HydrophobicContact CB-CD2 3.76Å; D41-Y44 PolarHBondContact O-N 3.29Å; D41-R45 PolarHBondContact O-N 3.48Å; D41-L58 WeakPolarHBondContact OD2-CD2 3.37Å
42	R	49.7	Very low	49.5	Very low	202 Å²	202	70.5 Å²	70.5	76%	0.762	34%	0.339	S	S	*	.	H	α-helix	trans	-70	-35.4	-171.5	-151.9	-179.5	-168.3	-176.4	0.9	111	R40 Y44 R45 D46	R40-R42 PolarHBondContact O-N 3.07Å; R42-Y44 VanDerWaalsContact C-N 3.28Å; R42-Y44 PolarHBondContact O-N 3.41Å; R42-R45 WeakPolarHBondContact O-CB 3.26Å; R42-R45 PolarHBondContact O-N 3.01Å; R42-D46 PolarHBondContact O-N 2.73Å
43	E	47.1	Very low	48.8	Very low	106 Å²	106	72.6 Å²	72.6	50%	0.495	35%	0.351	S	S	.	.	H	α-helix	trans	-64.6	-37.8	-179.7	-63.4	180	176.5	0	0	110.5	D41 D46 I48 I50	D41-E43 VanDerWaalsContact C-N 3.33Å; D41-E43 WeakPolarHBondContact OD1-CB 3.34Å; D41-E43 PolarHBondContact OD1-N 3.45Å; E43-D46 PolarHBondContact O-N 3.08Å; E43-I48 HydrophobicContact CB-CD1 4.21Å; E43-I48 WeakPolarHBondContact O-CB 3.35Å; E43-I48 WeakPolarHBondContact O-CG1 3.28Å; E43-I48 PolarHBondContact O-N 3.34Å; E43-I50 HydrophobicContact CB-CD1 3.99Å
44	Y	44.3	Very low	48.3	Very low	14 Å²	14	73.8 Å²	73.8	6%	0.055	36%	0.362	C	S	.	.	H	α-helix	trans	-71.1	-35.4	175.1	-87.6	-72.5	0	0	0	114.3	V38 D41 R42 D46 G47 I50 I55 G100	V38-Y44 HydrophobicContact CG1-CD1 3.81Å; V38-Y44 HydrophobicContact CG1-CD2 4.34Å; V38-Y44 HydrophobicContact CG1-CE1 4.04Å; V38-Y44 HydrophobicContact CG1-CG 3.85Å; V38-Y44 VanDerWaalsContact O-CB 3.28Å; V38-Y44 WeakPolarHBondContact O-CB 3.24Å; D41-Y44 HydrophobicContact CB-CD2 3.76Å; D41-Y44 PolarHBondContact O-N 3.29Å; R42-Y44 VanDerWaalsContact C-N 3.28Å; R42-Y44 PolarHBondContact O-N 3.41Å; Y44-D46 PolarHBondContact O-N 2.89Å; Y44-G47 PolarHBondContact O-N 2.87Å; Y44-G47 VanDerWaalsContact O-N 3.07Å; Y44-I50 HydrophobicContact CD1-CD1 4.23Å; Y44-I50 HydrophobicContact CD1-CG1 4.3Å; Y44-I50 HydrophobicContact CD2-CD1 3.33Å; Y44-I50 HydrophobicContact CD2-CG1 4.25Å; Y44-I50 HydrophobicContact CE1-CB 4.47Å; Y44-I50 HydrophobicContact CE1-CD1 4.3Å; Y44-I50 HydrophobicContact CE1-CG1 4.23Å; Y44-I50 HydrophobicContact CE2-CD1 3.41Å; Y44-I50 VanDerWaalsContact CE2-CD1 3.41Å; Y44-I50 HydrophobicContact CE2-CG1 4.17Å; Y44-I50 HydrophobicContact CG-CD1 3.86Å; Y44-I50 HydrophobicContact CG-CG1 4.41Å; Y44-I55 HydrophobicContact CE1-CD1 4.15Å; Y44-I55 HydrophobicContact CE2-CG1 4.18Å; Y44-I55 WeakPolarHBondContact OH-CD1 3.11Å; Y44-I55 WeakPolarHBondContact OH-CG1 2.91Å; Y44-I55 VanDerWaalsContact OH-CG2 3.22Å; Y44-I55 WeakPolarHBondContact OH-CG2 3.24Å; Y44-G100 VanDerWaalsContact CD1-CA 3.44Å
45	R	41.9	Very low	47.9	Very low	197 Å²	197	73.9 Å²	73.9	74%	0.743	36%	0.362	S	S	*	.	H	α-helix	trans	-62.1	-29.7	176.8	-135.1	-176.9	-157.1	-170	3.7	112.1	D41 R42 G47	D41-R45 PolarHBondContact O-N 3.48Å; R42-R45 WeakPolarHBondContact O-CB 3.26Å; R42-R45 PolarHBondContact O-N 3.01Å; R45-G47 VanDerWaalsContact C-N 3.3Å
46	D	42.4	Very low	47.5	Very low	110 Å²	110	73.4 Å²	73.4	59%	0.588	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	4.7	179.4	-61.4	-23.2	0	0	0	112.3	R42 E43 Y44 I48	R42-D46 PolarHBondContact O-N 2.73Å; E43-D46 PolarHBondContact O-N 3.08Å; Y44-D46 PolarHBondContact O-N 2.89Å; D46-I48 VanDerWaalsContact C-N 3.35Å; D46-I48 PolarHBondContact O-N 2.97Å
47	G	38.4	Very low	47.3	Very low	31 Å²	31	73.9 Å²	73.9	32%	0.32	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	14.3	173.6	0	0	0	0	0	114.9	Y44 R45 D49	Y44-G47 PolarHBondContact O-N 2.87Å; Y44-G47 VanDerWaalsContact O-N 3.07Å; R45-G47 VanDerWaalsContact C-N 3.3Å; G47-D49 PolarHBondContact O-N 3.17Å
48	I	40.5	Very low	47.1	Very low	69 Å²	69	75.1 Å²	75.1	35%	0.354	37%	0.369	S	S	.	.			trans	-68.4	122.3	177.5	-56.4	175.7	0	0	0	108.6	E43 D46 I50	E43-I48 HydrophobicContact CB-CD1 4.21Å; E43-I48 WeakPolarHBondContact O-CB 3.35Å; E43-I48 WeakPolarHBondContact O-CG1 3.28Å; E43-I48 PolarHBondContact O-N 3.34Å; D46-I48 VanDerWaalsContact C-N 3.35Å; D46-I48 PolarHBondContact O-N 2.97Å; I48-I50 WeakPolarHBondContact O-CG1 3.43Å; I48-I50 PolarHBondContact O-N 2.89Å; I48-I50 VanDerWaalsContact O-N 3.11Å
49	D	44.3	Very low	46.8	Very low	65 Å²	65	75.4 Å²	75.4	35%	0.348	37%	0.37	S	S	.	.			trans	-73.5	102.5	177.5	-159	-2.1	0	0	0	109.5	G47 N103	G47-D49 PolarHBondContact O-N 3.17Å; D49-N103 PolarHBondContact OD1-ND2 2.74Å; D49-N103 PolarHBondContact OD2-ND2 2.75Å
50	I	43.2	Very low	46.8	Very low	13 Å²	13	78.1 Å²	78.1	7%	0.067	38%	0.378	C	S	.	.			trans	-86	130.3	-177.6	-47.4	-167.3	0	0	0	109	E43 Y44 I48 T54 I55	E43-I50 HydrophobicContact CB-CD1 3.99Å; Y44-I50 HydrophobicContact CD1-CD1 4.23Å; Y44-I50 HydrophobicContact CD1-CG1 4.3Å; Y44-I50 HydrophobicContact CD2-CD1 3.33Å; Y44-I50 HydrophobicContact CD2-CG1 4.25Å; Y44-I50 HydrophobicContact CE1-CB 4.47Å; Y44-I50 HydrophobicContact CE1-CD1 4.3Å; Y44-I50 HydrophobicContact CE1-CG1 4.23Å; Y44-I50 HydrophobicContact CE2-CD1 3.41Å; Y44-I50 VanDerWaalsContact CE2-CD1 3.41Å; Y44-I50 HydrophobicContact CE2-CG1 4.17Å; Y44-I50 HydrophobicContact CG-CD1 3.86Å; Y44-I50 HydrophobicContact CG-CG1 4.41Å; I48-I50 WeakPolarHBondContact O-CG1 3.43Å; I48-I50 PolarHBondContact O-N 2.89Å; I48-I50 VanDerWaalsContact O-N 3.11Å; I50-T54 VanDerWaalsContact CG2-CB 3.44Å; I50-T54 HydrophobicContact CG2-CG2 3.43Å; I50-T54 VanDerWaalsContact CG2-CG2 3.43Å; I50-I55 HydrophobicContact CB-CD1 3.82Å; I50-I55 HydrophobicContact CB-CG1 3.56Å; I50-I55 HydrophobicContact CG2-CD1 4.26Å; I50-I55 HydrophobicContact CG2-CG1 3.48Å; I50-I55 VanDerWaalsContact CG2-CG1 3.48Å; I50-I55 WeakPolarHBondContact O-CD1 3.49Å
51	S	42.2	Very low	46.7	Very low	34 Å²	34	75.4 Å²	75.4	24%	0.238	37%	0.372	C	S	.	.			trans	-64.1	155.2	177.9	74.3	0	0	0	0	112.2	D53 T54 I55	S51-D53 PolarHBondContact O-N 3.04Å; S51-D53 VanDerWaalsContact O-N 3.15Å; S51-T54 PolarHBondContact O-N 2.83Å; S51-T54 PolarHBondContact OG-OG1 2.84Å; S51-I55 WeakPolarHBondContact O-CG1 3.13Å; S51-I55 PolarHBondContact O-N 3.09Å
52	S	43.3	Very low	46.4	Very low	36 Å²	36	78.8 Å²	78.8	25%	0.252	39%	0.386	S	S	.	.	H	α-helix	trans	-53.2	-35.8	176.3	50.7	0	0	0	0	112.6	T54 F56	S52-T54 VanDerWaalsContact C-N 3.26Å; S52-T54 PolarHBondContact O-N 2.78Å; S52-F56 WeakPolarHBondContact O-CB 3.23Å; S52-F56 PolarHBondContact O-N 2.74Å
53	D	46.1	Very low	46.3	Very low	133 Å²	133	70.5 Å²	70.5	71%	0.711	36%	0.357	S	S	*	.	H	α-helix	trans	-68.4	-21.8	-179.6	-68.9	-30.6	0	0	0	113.6	S51 P57	S51-D53 PolarHBondContact O-N 3.04Å; S51-D53 VanDerWaalsContact O-N 3.15Å; D53-P57 WeakPolarHBondContact O-CD 3.38Å; D53-P57 WeakPolarHBondContact O-CG 3.46Å
54	T	49.1	Very low	45.8	Very low	76 Å²	76	67.9 Å²	67.9	47%	0.466	35%	0.35	S	S	.	.	H	α-helix	trans	-97.1	-42.2	178.4	-58.9	0	0	0	0	111.1	I50 S51 S52 P57 L58	I50-T54 VanDerWaalsContact CG2-CB 3.44Å; I50-T54 HydrophobicContact CG2-CG2 3.43Å; I50-T54 VanDerWaalsContact CG2-CG2 3.43Å; S51-T54 PolarHBondContact O-N 2.83Å; S51-T54 PolarHBondContact OG-OG1 2.84Å; S52-T54 VanDerWaalsContact C-N 3.26Å; S52-T54 PolarHBondContact O-N 2.78Å; T54-P57 WeakPolarHBondContact O-CD 3.5Å; T54-L58 PolarHBondContact O-N 3.05Å
55	I	48.8	Very low	45.4	Very low	2 Å²	2	71 Å²	71	1%	0.01	37%	0.37	C	S	.	.	H	α-helix	trans	-65.8	-48.8	-179.9	-63.3	171.1	0	0	0	111.2	Y44 I50 S51 L58 I59 V107	Y44-I55 HydrophobicContact CE1-CD1 4.15Å; Y44-I55 HydrophobicContact CE2-CG1 4.18Å; Y44-I55 WeakPolarHBondContact OH-CD1 3.11Å; Y44-I55 WeakPolarHBondContact OH-CG1 2.91Å; Y44-I55 VanDerWaalsContact OH-CG2 3.22Å; Y44-I55 WeakPolarHBondContact OH-CG2 3.24Å; I50-I55 HydrophobicContact CB-CD1 3.82Å; I50-I55 HydrophobicContact CB-CG1 3.56Å; I50-I55 HydrophobicContact CG2-CD1 4.26Å; I50-I55 HydrophobicContact CG2-CG1 3.48Å; I50-I55 VanDerWaalsContact CG2-CG1 3.48Å; I50-I55 WeakPolarHBondContact O-CD1 3.49Å; S51-I55 WeakPolarHBondContact O-CG1 3.13Å; S51-I55 PolarHBondContact O-N 3.09Å; I55-L58 WeakPolarHBondContact O-CA 3.16Å; I55-L58 WeakPolarHBondContact O-CB 3.24Å; I55-L58 PolarHBondContact O-N 2.73Å; I55-I59 HydrophobicContact CG2-CD1 3.37Å; I55-I59 HydrophobicContact CG2-CG1 3.8Å; I55-I59 WeakPolarHBondContact O-CG1 3.3Å; I55-I59 PolarHBondContact O-N 2.97Å; I55-V107 HydrophobicContact CD1-CG2 4.46Å
56	F	50	Low	45	Very low	36 Å²	36	67.6 Å²	67.6	16%	0.158	37%	0.371	C	S	.	.	H	α-helix	trans	-66.4	-39.1	-168.2	-162.4	-112	0	0	0	112.6	S52 K60 L108	S52-F56 WeakPolarHBondContact O-CB 3.23Å; S52-F56 PolarHBondContact O-N 2.74Å; F56-K60 HydrophobicContact CD1-CD 4.1Å; F56-K60 HydrophobicContact CE1-CD 3.97Å; F56-K60 HydrophobicContact CE1-CG 4.45Å; F56-K60 WeakPolarHBondContact O-CB 3.33Å; F56-K60 WeakPolarHBondContact O-CG 3.47Å; F56-K60 PolarHBondContact O-N 2.97Å; F56-L108 HydrophobicContact CD2-CD2 4.46Å; F56-L108 HydrophobicContact CE2-CD2 4.12Å
57	P	53.2	Low	44.7	Very low	73 Å²	73	66.5 Å²	66.5	47%	0.474	37%	0.372	S	S	.	.	H	α-helix	trans	-62.9	-37.6	168.4	-25.1	36.8	0	0	0	113.4	D53 T54 K60 K61	D53-P57 WeakPolarHBondContact O-CD 3.38Å; D53-P57 WeakPolarHBondContact O-CG 3.46Å; T54-P57 WeakPolarHBondContact O-CD 3.5Å; P57-K60 PolarHBondContact O-N 3.19Å; P57-K61 WeakPolarHBondContact O-CB 3.36Å; P57-K61 PolarHBondContact O-N 2.89Å
58	L	52.3	Low	44.4	Very low	51 Å²	51	65.9 Å²	65.9	27%	0.267	36%	0.361	S	S	.	.	H	α-helix	trans	-64.7	-49.3	177.7	-161.7	101.2	0	0	0	111	D41 T54 I55 K60 K61 E62	D41-L58 WeakPolarHBondContact OD2-CD2 3.37Å; T54-L58 PolarHBondContact O-N 3.05Å; I55-L58 WeakPolarHBondContact O-CA 3.16Å; I55-L58 WeakPolarHBondContact O-CB 3.24Å; I55-L58 PolarHBondContact O-N 2.73Å; L58-K60 PolarHBondContact O-N 3.38Å; L58-K61 PolarHBondContact O-N 3.48Å; L58-K61 VanDerWaalsContact O-N 3.14Å; L58-E62 WeakPolarHBondContact O-CB 3.41Å; L58-E62 PolarHBondContact O-N 2.81Å
59	I	47.3	Very low	44.2	Very low	10 Å²	10	66 Å²	66	5%	0.051	37%	0.367	C	S	.	.	H	α-helix	trans	-54	-52.8	171.4	-70.1	-177.7	0	0	0	109.2	L37 I55 K61 L63	L37-I59 HydrophobicContact CD2-CB 4.4Å; L37-I59 HydrophobicContact CD2-CG1 3.82Å; I55-I59 HydrophobicContact CG2-CD1 3.37Å; I55-I59 HydrophobicContact CG2-CG1 3.8Å; I55-I59 WeakPolarHBondContact O-CG1 3.3Å; I55-I59 PolarHBondContact O-N 2.97Å; I59-K61 VanDerWaalsContact C-N 3.27Å; I59-K61 PolarHBondContact O-N 3.25Å; I59-L63 HydrophobicContact CG2-CD1 3.82Å; I59-L63 WeakPolarHBondContact O-CA 3.39Å; I59-L63 WeakPolarHBondContact O-CB 3.42Å; I59-L63 PolarHBondContact O-N 3.48Å
60	K	50.4	Low	43.8	Very low	139 Å²	139	67.1 Å²	67.1	60%	0.604	37%	0.373	S	S	*	.	H	α-helix	trans	-59.6	-34	178.1	-85.5	-177.1	168.6	174.8	0	114	F56 P57 L58	F56-K60 HydrophobicContact CD1-CD 4.1Å; F56-K60 HydrophobicContact CE1-CD 3.97Å; F56-K60 HydrophobicContact CE1-CG 4.45Å; F56-K60 WeakPolarHBondContact O-CB 3.33Å; F56-K60 WeakPolarHBondContact O-CG 3.47Å; F56-K60 PolarHBondContact O-N 2.97Å; P57-K60 PolarHBondContact O-N 3.19Å; L58-K60 PolarHBondContact O-N 3.38Å
61	K	53.2	Low	43.5	Very low	150 Å²	150	68.1 Å²	68.1	65%	0.652	39%	0.387	S	S	*	.	H	α-helix	trans	-81	-44	-175.6	-179.3	-171.3	171.3	-162	0	112.4	P57 L58 I59 P64	P57-K61 WeakPolarHBondContact O-CB 3.36Å; P57-K61 PolarHBondContact O-N 2.89Å; L58-K61 PolarHBondContact O-N 3.48Å; L58-K61 VanDerWaalsContact O-N 3.14Å; I59-K61 VanDerWaalsContact C-N 3.27Å; I59-K61 PolarHBondContact O-N 3.25Å; K61-P64 WeakPolarHBondContact O-CD 3.31Å
62	E	47.9	Very low	43.4	Very low	107 Å²	107	73.2 Å²	73.2	50%	0.5	41%	0.407	S	S	.	.	H	α-helix	trans	-91.6	-17.6	-175.5	-71	-66.8	148.3	0	0	113.4	L37 L58 P64	L37-E62 HydrophobicContact CD1-CB 3.46Å; L37-E62 VanDerWaalsContact CD1-CB 3.46Å; L37-E62 HydrophobicContact CD1-CG 4.17Å; L58-E62 WeakPolarHBondContact O-CB 3.41Å; L58-E62 PolarHBondContact O-N 2.81Å; E62-P64 WeakPolarHBondContact O-CD 3.34Å
63	L	46.1	Very low	43.3	Very low	29 Å²	29	73.9 Å²	73.9	15%	0.152	41%	0.407	C	S	.	.	S	Bend	trans	-104.9	54.5	165.2	-59.3	167.9	0	0	0	110	Q33 V34 L37 I59 T65 L68	Q33-L63 HydrophobicContact CB-CD2 4.16Å; V34-L63 HydrophobicContact CG2-CD1 4.44Å; L37-L63 HydrophobicContact CD2-CD1 4.11Å; L37-L63 HydrophobicContact CD2-CG 4.25Å; I59-L63 HydrophobicContact CG2-CD1 3.82Å; I59-L63 WeakPolarHBondContact O-CA 3.39Å; I59-L63 WeakPolarHBondContact O-CB 3.42Å; I59-L63 PolarHBondContact O-N 3.48Å; L63-T65 PolarHBondContact O-N 3.45Å; L63-L68 VanDerWaalsContact CA-CD1 3.44Å; L63-L68 HydrophobicContact CB-CD1 3.37Å; L63-L68 HydrophobicContact CB-CD2 4.2Å; L63-L68 HydrophobicContact CB-CG 4.43Å; L63-L68 HydrophobicContact CD2-CD1 3.6Å; L63-L68 HydrophobicContact CD2-CD2 4.05Å; L63-L68 HydrophobicContact CD2-CG 4.31Å; L63-L68 HydrophobicContact CG-CD1 4.04Å; L63-L68 HydrophobicContact CG-CD2 4.48Å
64	P	36.8	Very low	43.2	Very low	51 Å²	51	68.9 Å²	68.9	33%	0.331	38%	0.38	S	S	.	.			trans	-64.4	141.6	176	30.5	-31.1	0	0	0	108	K61 E62 T66 S67	K61-P64 WeakPolarHBondContact O-CD 3.31Å; E62-P64 WeakPolarHBondContact O-CD 3.34Å; P64-T66 PolarHBondContact O-N 2.89Å; P64-S67 PolarHBondContact O-N 2.8Å
65	T	36.8	Very low	43.3	Very low	79 Å²	79	70.1 Å²	70.1	49%	0.485	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	1.8	-178.9	47.7	0	0	0	0	116.6	L63 L68 D70	L63-T65 PolarHBondContact O-N 3.45Å; T65-L68 CarbonylContact C-O 3.5Å; T65-D70 WeakPolarHBondContact CB-OD1 3.46Å
66	T	31.9	Very low	43.3	Very low	126 Å²	126	74.6 Å²	74.6	77%	0.773	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-9.5	-179.8	47	0	0	0	0	114.3	P64	P64-T66 PolarHBondContact O-N 2.89Å
67	S	36.3	Very low	43.3	Very low	86 Å²	86	73.3 Å²	73.3	60%	0.601	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.1	-6.7	170.7	63.7	0	0	0	0	114.8	P64	P64-S67 PolarHBondContact O-N 2.8Å
68	L	32.3	Very low	43.4	Very low	18 Å²	18	70.9 Å²	70.9	9%	0.094	38%	0.379	C	S	.	.	S	Bend	trans	-104.5	137.8	159.9	-64.1	93.5	0	0	0	107	Y30 Q33 L63 T65 D70	Y30-L68 HydrophobicContact CD2-CD2 4.03Å; Y30-L68 HydrophobicContact CE2-CD2 4.31Å; Q33-L68 VanDerWaalsContact OE1-CG 3.27Å; L63-L68 VanDerWaalsContact CA-CD1 3.44Å; L63-L68 HydrophobicContact CB-CD1 3.37Å; L63-L68 HydrophobicContact CB-CD2 4.2Å; L63-L68 HydrophobicContact CB-CG 4.43Å; L63-L68 HydrophobicContact CD2-CD1 3.6Å; L63-L68 HydrophobicContact CD2-CD2 4.05Å; L63-L68 HydrophobicContact CD2-CG 4.31Å; L63-L68 HydrophobicContact CG-CD1 4.04Å; L63-L68 HydrophobicContact CG-CD2 4.48Å; T65-L68 CarbonylContact C-O 3.5Å; L68-D70 PolarHBondContact O-N 3.02Å; L68-D70 VanDerWaalsContact O-N 3.12Å
69	P	36	Very low	43.7	Very low	73 Å²	73	72.8 Å²	72.8	47%	0.474	39%	0.389	S	S	.	.	S	Bend	trans	-52.7	125.8	163.6	-11.7	26.2	0	0	0	106.2	L73	P69-L73 HydrophobicContact CB-CB 4.18Å; P69-L73 HydrophobicContact CB-CD1 4.02Å; P69-L73 HydrophobicContact CB-CD2 4.01Å; P69-L73 HydrophobicContact CB-CG 4.28Å; P69-L73 HydrophobicContact CG-CD2 4.04Å; P69-L73 WeakPolarHBondContact O-CB 3.4Å
70	D	37.2	Very low	43.9	Very low	87 Å²	87	75.4 Å²	75.4	47%	0.465	40%	0.403	S	S	.	.			trans	-20.5	157.1	-167.9	-83.9	-57.4	0	0	0	117.2	T65 L68 E72 L73	T65-D70 WeakPolarHBondContact CB-OD1 3.46Å; L68-D70 PolarHBondContact O-N 3.02Å; L68-D70 VanDerWaalsContact O-N 3.12Å; D70-E72 HydrophobicContact CB-CB 3.93Å; D70-E72 HydrophobicContact CB-CG 4.38Å; D70-E72 CarbonylContact O-C 3.42Å; D70-E72 PolarHBondContact O-N 2.97Å; D70-L73 WeakPolarHBondContact O-CB 3.43Å; D70-L73 PolarHBondContact O-N 2.8Å
71	G	36.6	Very low	44	Very low	35 Å²	35	69.4 Å²	69.4	36%	0.361	38%	0.377	S	S	.	.	H	α-helix	trans	-52	-18.5	166.5	0	0	0	0	0	113.3	L73 H75	G71-L73 VanDerWaalsContact C-N 3.27Å; G71-L73 PolarHBondContact O-N 2.72Å; G71-H75 PolarHBondContact O-CD2 2.73Å; G71-H75 VanDerWaalsContact O-CD2 3.24Å; G71-H75 PolarHBondContact O-N 3.26Å
72	E	39.3	Very low	44.2	Very low	140 Å²	140	66.6 Å²	66.6	65%	0.654	37%	0.365	S	S	*	.	H	α-helix	trans	-54.7	-34	163.8	-73.2	-171.2	160.7	0	0	113.5	D70 H75 Q76	D70-E72 HydrophobicContact CB-CB 3.93Å; D70-E72 HydrophobicContact CB-CG 4.38Å; D70-E72 CarbonylContact O-C 3.42Å; D70-E72 PolarHBondContact O-N 2.97Å; E72-H75 CarbonylContact O-C 3.52Å; E72-H75 WeakPolarHBondContact O-CB 3.24Å; E72-H75 PolarHBondContact O-N 3.01Å; E72-Q76 WeakPolarHBondContact O-CA 3.39Å; E72-Q76 WeakPolarHBondContact O-CB 3.22Å; E72-Q76 PolarHBondContact O-N 2.93Å
73	L	41.1	Very low	44.7	Very low	51 Å²	51	65.5 Å²	65.5	27%	0.267	38%	0.375	S	S	.	.	H	α-helix	trans	-71.8	-35.9	-178.2	-154.6	92	0	0	0	113.5	E26 P69 D70 G71 H75 Q76 V77	E26-L73 HydrophobicContact CB-CD2 3.99Å; E26-L73 HydrophobicContact CG-CD2 4.17Å; P69-L73 HydrophobicContact CB-CB 4.18Å; P69-L73 HydrophobicContact CB-CD1 4.02Å; P69-L73 HydrophobicContact CB-CD2 4.01Å; P69-L73 HydrophobicContact CB-CG 4.28Å; P69-L73 HydrophobicContact CG-CD2 4.04Å; P69-L73 WeakPolarHBondContact O-CB 3.4Å; D70-L73 WeakPolarHBondContact O-CB 3.43Å; D70-L73 PolarHBondContact O-N 2.8Å; G71-L73 VanDerWaalsContact C-N 3.27Å; G71-L73 PolarHBondContact O-N 2.72Å; L73-H75 VanDerWaalsContact C-N 3.33Å; L73-Q76 CarbonylContact O-C 3.47Å; L73-Q76 PolarHBondContact O-N 2.9Å; L73-V77 HydrophobicContact CG-CG2 4.46Å; L73-V77 WeakPolarHBondContact O-CB 3.48Å; L73-V77 VanDerWaalsContact O-CG2 3.23Å; L73-V77 WeakPolarHBondContact O-CG2 3.5Å; L73-V77 PolarHBondContact O-N 2.8Å
74	I	44.4	Very low	45	Very low	27 Å²	27	69.9 Å²	69.9	14%	0.138	39%	0.394	C	S	.	.	H	α-helix	trans	-65.9	-45.4	172.7	-62.5	166	0	0	0	108.9	Y30 Q76 V77 F78 Y112	Y30-I74 HydrophobicContact CD2-CD1 4.02Å; Y30-I74 HydrophobicContact CD2-CG1 3.96Å; Y30-I74 HydrophobicContact CE1-CD1 4.12Å; Y30-I74 HydrophobicContact CE1-CG1 4.3Å; Y30-I74 HydrophobicContact CE2-CD1 3.26Å; Y30-I74 HydrophobicContact CE2-CG1 3.72Å; Y30-I74 HydrophobicContact CG-CG1 4.37Å; Y30-I74 WeakPolarHBondContact OH-CD1 3.44Å; I74-Q76 PolarHBondContact O-N 2.84Å; I74-V77 PolarHBondContact O-N 3.29Å; I74-F78 HydrophobicContact CG2-CD2 3.59Å; I74-F78 HydrophobicContact CG2-CE2 3.47Å; I74-F78 VanDerWaalsContact CG2-CE2 3.47Å; I74-F78 WeakPolarHBondContact O-CD2 3.36Å; I74-F78 PolarHBondContact O-N 2.93Å; I74-Y112 HydrophobicContact CG2-CD1 4.34Å; I74-Y112 HydrophobicContact CG2-CE1 3.61Å; I74-Y112 HydrophobicContact CG2-CE2 3.9Å; I74-Y112 WeakPolarHBondContact CG2-OH 3.3Å
75	H	51.1	Low	45.9	Very low	102 Å²	102	70.2 Å²	70.2	47%	0.472	41%	0.407	S	S	.	.	H	α-helix	trans	-58	-40.6	172	-75.3	-65.6	0	0	0	111.1	G71 E72 L73 F78 D79 Y112	G71-H75 PolarHBondContact O-CD2 2.73Å; G71-H75 VanDerWaalsContact O-CD2 3.24Å; G71-H75 PolarHBondContact O-N 3.26Å; E72-H75 CarbonylContact O-C 3.52Å; E72-H75 WeakPolarHBondContact O-CB 3.24Å; E72-H75 PolarHBondContact O-N 3.01Å; L73-H75 VanDerWaalsContact C-N 3.33Å; H75-F78 CarbonylContact O-C 3.56Å; H75-F78 PolarHBondContact O-N 3.48Å; H75-D79 WeakPolarHBondContact O-CA 3.4Å; H75-D79 WeakPolarHBondContact O-CB 3.38Å; H75-D79 PolarHBondContact O-N 2.61Å; H75-Y112 AromaticContact CE1-CE1 3.68Å; H75-Y112 AromaticContact ND1-CE1 3.92Å
76	Q	48.8	Very low	46.6	Very low	96 Å²	96	69.3 Å²	69.3	45%	0.449	40%	0.397	S	S	.	.	H	α-helix	trans	-69.8	-42.3	180	-170.3	119	28.8	0	0	111.1	E72 L73 I74 F78 D79 D80	E72-Q76 WeakPolarHBondContact O-CA 3.39Å; E72-Q76 WeakPolarHBondContact O-CB 3.22Å; E72-Q76 PolarHBondContact O-N 2.93Å; L73-Q76 CarbonylContact O-C 3.47Å; L73-Q76 PolarHBondContact O-N 2.9Å; I74-Q76 PolarHBondContact O-N 2.84Å; Q76-F78 VanDerWaalsContact C-N 3.3Å; Q76-F78 PolarHBondContact O-N 2.97Å; Q76-D79 CarbonylContact O-C 3.55Å; Q76-D79 PolarHBondContact O-N 2.85Å; Q76-D80 WeakPolarHBondContact CG-OD2 3.44Å; Q76-D80 WeakPolarHBondContact O-CA 3.43Å; Q76-D80 WeakPolarHBondContact O-CB 3.42Å; Q76-D80 PolarHBondContact O-N 3.37Å
77	V	51.5	Low	47.7	Very low	10 Å²	10	68 Å²	68	6%	0.061	39%	0.389	C	S	.	.	H	α-helix	trans	-60.7	-45.5	174.5	167.5	0	0	0	0	108.8	E26 L27 L73 I74 D80 I81	E26-V77 HydrophobicContact CB-CG2 3.58Å; E26-V77 HydrophobicContact CG-CG2 4.47Å; L27-V77 HydrophobicContact CB-CG1 4.18Å; L27-V77 HydrophobicContact CD1-CG1 4.29Å; L73-V77 HydrophobicContact CG-CG2 4.46Å; L73-V77 WeakPolarHBondContact O-CB 3.48Å; L73-V77 VanDerWaalsContact O-CG2 3.23Å; L73-V77 WeakPolarHBondContact O-CG2 3.5Å; L73-V77 PolarHBondContact O-N 2.8Å; I74-V77 PolarHBondContact O-N 3.29Å; V77-D80 PolarHBondContact O-N 3.28Å; V77-I81 HydrophobicContact CG1-CD1 3.81Å; V77-I81 VanDerWaalsContact O-CB 3.26Å; V77-I81 WeakPolarHBondContact O-CB 3.41Å; V77-I81 WeakPolarHBondContact O-CD1 3.47Å; V77-I81 WeakPolarHBondContact O-CG1 3.12Å; V77-I81 PolarHBondContact O-N 2.97Å
78	F	54.7	Low	48.6	Very low	22 Å²	22	69.3 Å²	69.3	10%	0.096	39%	0.385	C	S	.	.	H	α-helix	trans	-68.9	-36.8	175.6	-75.5	-59.1	0	0	0	113.4	I74 H75 Q76 I81 K82 V89 Y112 L115	I74-F78 HydrophobicContact CG2-CD2 3.59Å; I74-F78 HydrophobicContact CG2-CE2 3.47Å; I74-F78 VanDerWaalsContact CG2-CE2 3.47Å; I74-F78 WeakPolarHBondContact O-CD2 3.36Å; I74-F78 PolarHBondContact O-N 2.93Å; H75-F78 CarbonylContact O-C 3.56Å; H75-F78 PolarHBondContact O-N 3.48Å; Q76-F78 VanDerWaalsContact C-N 3.3Å; Q76-F78 PolarHBondContact O-N 2.97Å; F78-I81 HydrophobicContact CD1-CD1 4.4Å; F78-K82 VanDerWaalsContact O-CB 3.28Å; F78-K82 WeakPolarHBondContact O-CB 3.06Å; F78-K82 VanDerWaalsContact O-CG 3.23Å; F78-K82 WeakPolarHBondContact O-CG 3.39Å; F78-K82 PolarHBondContact O-N 3.24Å; F78-V89 HydrophobicContact CD1-CG2 4.22Å; F78-V89 HydrophobicContact CE1-CB 4.3Å; F78-V89 HydrophobicContact CE1-CG2 4.01Å; F78-Y112 AromaticContact CD2-CD1 3.74Å; F78-Y112 HydrophobicContact CD2-CD1 3.74Å; F78-Y112 HydrophobicContact CD2-CE1 4.2Å; F78-Y112 HydrophobicContact CD2-CG 4.03Å; F78-Y112 HydrophobicContact CE2-CD1 4.01Å; F78-Y112 HydrophobicContact CE2-CD2 4.15Å; F78-Y112 HydrophobicContact CE2-CE1 4.46Å; F78-Y112 AromaticContact CE2-CG 3.86Å; F78-Y112 HydrophobicContact CE2-CG 3.86Å; F78-L115 HydrophobicContact CE1-CB 4.39Å; F78-L115 HydrophobicContact CE1-CD1 3.76Å; F78-L115 HydrophobicContact CE1-CD2 4.21Å; F78-L115 HydrophobicContact CE1-CG 4.35Å; F78-L115 HydrophobicContact CE2-CD2 4.28Å; F78-L115 HydrophobicContact CZ-CB 4.48Å; F78-L115 HydrophobicContact CZ-CD1 3.85Å; F78-L115 HydrophobicContact CZ-CD2 3.56Å; F78-L115 HydrophobicContact CZ-CG 4.18Å
79	D	58.5	Low	49.6	Very low	91 Å²	91	69.7 Å²	69.7	49%	0.487	39%	0.388	S	S	.	.	H	α-helix	trans	-71.6	-33.4	177.5	-75	-18.1	0	0	0	110.7	H75 Q76 K82 A83	H75-D79 WeakPolarHBondContact O-CA 3.4Å; H75-D79 WeakPolarHBondContact O-CB 3.38Å; H75-D79 PolarHBondContact O-N 2.61Å; Q76-D79 CarbonylContact O-C 3.55Å; Q76-D79 PolarHBondContact O-N 2.85Å; D79-K82 CarbonylContact O-C 3.52Å; D79-K82 PolarHBondContact O-N 3.15Å; D79-A83 WeakPolarHBondContact O-CA 3.04Å; D79-A83 WeakPolarHBondContact O-CB 3.49Å; D79-A83 PolarHBondContact O-N 3.4Å
80	D	51.5	Low	50.5	Low	65 Å²	65	70 Å²	70	35%	0.348	39%	0.385	S	S	.	.	H	α-helix	trans	-73.6	-41.8	175.7	-73.5	-18.8	0	0	0	109.5	Q76 V77 K82 A83 Q84	Q76-D80 WeakPolarHBondContact CG-OD2 3.44Å; Q76-D80 WeakPolarHBondContact O-CA 3.43Å; Q76-D80 WeakPolarHBondContact O-CB 3.42Å; Q76-D80 PolarHBondContact O-N 3.37Å; V77-D80 PolarHBondContact O-N 3.28Å; D80-K82 VanDerWaalsContact C-N 3.35Å; D80-A83 PolarHBondContact O-N 3.45Å; D80-Q84 WeakPolarHBondContact O-CB 3.16Å; D80-Q84 VanDerWaalsContact O-CG 3.25Å; D80-Q84 WeakPolarHBondContact O-CG 3.14Å; D80-Q84 PolarHBondContact O-N 3.36Å
81	I	51.8	Low	51.3	Low	13 Å²	13	67 Å²	67	7%	0.067	37%	0.369	C	S	.	.	H	α-helix	trans	-59.6	-46.6	169.5	-72.8	168.1	0	0	0	109.9	L24 V77 F78 A83 Q84 G85 F86 V89	L24-I81 HydrophobicContact CD1-CD1 4.16Å; L24-I81 HydrophobicContact CD1-CG1 4.33Å; V77-I81 HydrophobicContact CG1-CD1 3.81Å; V77-I81 VanDerWaalsContact O-CB 3.26Å; V77-I81 WeakPolarHBondContact O-CB 3.41Å; V77-I81 WeakPolarHBondContact O-CD1 3.47Å; V77-I81 WeakPolarHBondContact O-CG1 3.12Å; V77-I81 PolarHBondContact O-N 2.97Å; F78-I81 HydrophobicContact CD1-CD1 4.4Å; I81-A83 PolarHBondContact O-N 3.21Å; I81-Q84 PolarHBondContact O-N 3.37Å; I81-G85 PolarHBondContact O-N 3.49Å; I81-F86 HydrophobicContact CG2-CB 3.61Å; I81-F86 HydrophobicContact CG2-CD2 4.4Å; I81-F86 HydrophobicContact CG2-CG 4.4Å; I81-F86 WeakPolarHBondContact O-CB 3.1Å; I81-F86 PolarHBondContact O-N 3.05Å; I81-F86 VanDerWaalsContact O-N 3.11Å; I81-V89 HydrophobicContact CB-CG2 4.5Å; I81-V89 HydrophobicContact CD1-CG2 3.8Å; I81-V89 HydrophobicContact CG2-CG2 3.55Å
82	K	57.5	Low	51.8	Low	90 Å²	90	67.7 Å²	67.7	39%	0.391	37%	0.366	S	S	.	.	H	α-helix	trans	-63.3	-39	174.5	-77	174.7	-178.1	178	0	112.1	F78 D79 D80 Q84 G85 F86 E113	F78-K82 VanDerWaalsContact O-CB 3.28Å; F78-K82 WeakPolarHBondContact O-CB 3.06Å; F78-K82 VanDerWaalsContact O-CG 3.23Å; F78-K82 WeakPolarHBondContact O-CG 3.39Å; F78-K82 PolarHBondContact O-N 3.24Å; D79-K82 CarbonylContact O-C 3.52Å; D79-K82 PolarHBondContact O-N 3.15Å; D80-K82 VanDerWaalsContact C-N 3.35Å; K82-Q84 VanDerWaalsContact C-N 3.28Å; K82-Q84 PolarHBondContact O-N 2.92Å; K82-G85 WeakPolarHBondContact O-CA 3.44Å; K82-G85 PolarHBondContact O-N 2.91Å; K82-F86 VanDerWaalsContact CA-O 3.3Å; K82-F86 WeakPolarHBondContact CA-O 3.07Å; K82-E113 WeakPolarHBondContact CE-O 3.15Å; K82-E113 PolarHBondContact NZ-O 2.53Å
83	A	57.8	Low	52.3	Low	85 Å²	85	62.3 Å²	62.3	70%	0.702	34%	0.342	S	S	*	.	H	α-helix	trans	-68.7	-28.2	178.2	0	0	0	0	0	112.1	D79 D80 I81 G85	D79-A83 WeakPolarHBondContact O-CA 3.04Å; D79-A83 WeakPolarHBondContact O-CB 3.49Å; D79-A83 PolarHBondContact O-N 3.4Å; D80-A83 PolarHBondContact O-N 3.45Å; I81-A83 PolarHBondContact O-N 3.21Å; A83-G85 PolarHBondContact O-N 3.41Å
84	Q	53.4	Low	52.4	Low	120 Å²	120	65.1 Å²	65.1	56%	0.561	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-1	168.7	-70.1	177.9	41.5	0	0	113.1	D80 I81 K82 F86	D80-Q84 WeakPolarHBondContact O-CB 3.16Å; D80-Q84 VanDerWaalsContact O-CG 3.25Å; D80-Q84 WeakPolarHBondContact O-CG 3.14Å; D80-Q84 PolarHBondContact O-N 3.36Å; I81-Q84 PolarHBondContact O-N 3.37Å; K82-Q84 VanDerWaalsContact C-N 3.28Å; K82-Q84 PolarHBondContact O-N 2.92Å; Q84-F86 HydrophobicContact CB-CD2 3.73Å; Q84-F86 HydrophobicContact CB-CE2 3.85Å
85	G	56.7	Low	52.4	Low	59 Å²	59	64.6 Å²	64.6	61%	0.608	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.9	2.4	176.7	0	0	0	0	0	114.3	I81 K82 A83 T87	I81-G85 PolarHBondContact O-N 3.49Å; K82-G85 WeakPolarHBondContact O-CA 3.44Å; K82-G85 PolarHBondContact O-N 2.91Å; A83-G85 PolarHBondContact O-N 3.41Å; G85-T87 PolarHBondContact O-N 3.21Å
86	F	49.8	Very low	52.1	Low	59 Å²	59	63.8 Å²	63.8	26%	0.259	36%	0.361	S	S	.	.			trans	-83.1	112.9	176.3	-58.7	-74.3	0	0	0	109.7	L18 P19 I81 K82 Q84	L18-F86 HydrophobicContact CD2-CD1 3.9Å; L18-F86 HydrophobicContact CD2-CE1 3.64Å; P19-F86 HydrophobicContact CG-CE2 4.36Å; P19-F86 HydrophobicContact CG-CZ 4.33Å; I81-F86 HydrophobicContact CG2-CB 3.61Å; I81-F86 HydrophobicContact CG2-CD2 4.4Å; I81-F86 HydrophobicContact CG2-CG 4.4Å; I81-F86 WeakPolarHBondContact O-CB 3.1Å; I81-F86 PolarHBondContact O-N 3.05Å; I81-F86 VanDerWaalsContact O-N 3.11Å; K82-F86 VanDerWaalsContact CA-O 3.3Å; K82-F86 WeakPolarHBondContact CA-O 3.07Å; Q84-F86 HydrophobicContact CB-CD2 3.73Å; Q84-F86 HydrophobicContact CB-CE2 3.85Å
87	T	56.2	Low	51.7	Low	99 Å²	99	60 Å²	60	61%	0.607	35%	0.348	S	S	*	.			trans	-82.2	-19.6	179.1	52.6	0	0	0	0	113.2	G85	G85-T87 PolarHBondContact O-N 3.21Å
88	H	53.9	Low	51.3	Low	113 Å²	113	64.1 Å²	64.1	52%	0.523	37%	0.369	S	S	.	.			trans	-138.6	144.3	-177.5	-60.1	74	0	0	0	111.5	G114	H88-G114 CarbonylContact C-O 3.53Å; H88-G114 WeakPolarHBondContact CA-O 3.44Å; H88-G114 WeakPolarHBondContact CB-O 3.39Å
89	V	55.1	Low	50.9	Low	27 Å²	27	65.8 Å²	65.8	16%	0.164	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.5	172.1	178.6	0	0	0	0	107.5	F78 I81 I91 G114 L115 V116	F78-V89 HydrophobicContact CD1-CG2 4.22Å; F78-V89 HydrophobicContact CE1-CB 4.3Å; F78-V89 HydrophobicContact CE1-CG2 4.01Å; I81-V89 HydrophobicContact CB-CG2 4.5Å; I81-V89 HydrophobicContact CD1-CG2 3.8Å; I81-V89 HydrophobicContact CG2-CG2 3.55Å; V89-I91 HydrophobicContact CG1-CG1 4.25Å; V89-G114 PolarHBondContact N-O 2.74Å; V89-L115 HydrophobicContact CB-CD1 3.69Å; V89-L115 HydrophobicContact CG1-CD1 3.75Å; V89-V116 PolarHBondContact O-N 2.77Å
90	I	53.5	Low	50.1	Low	79 Å²	79	61.9 Å²	61.9	41%	0.405	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	115.1	179	-50.4	-179.8	0	0	0	108.9	V92 V116	I90-V92 HydrophobicContact CG2-CG2 3.84Å; I90-V116 CarbonylContact C-O 3.5Å; I90-V116 VanDerWaalsContact CA-O 3.23Å; I90-V116 WeakPolarHBondContact CA-O 3.45Å; I90-V116 HydrophobicContact CG1-CB 4.29Å
91	I	54.4	Low	50	Low	25 Å²	25	59.9 Å²	59.9	13%	0.128	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.4	174.2	-63.1	176.4	0	0	0	108.4	M31 V89 T93 L115 V116 F117 Q118	M31-I91 HydrophobicContact CE-CD1 4.49Å; V89-I91 HydrophobicContact CG1-CG1 4.25Å; I91-T93 HydrophobicContact CG2-CG2 4.46Å; I91-L115 HydrophobicContact CD1-CD1 3.97Å; I91-L115 HydrophobicContact CG1-CD1 4.31Å; I91-V116 PolarHBondContact N-O 3.29Å; I91-F117 HydrophobicContact CB-CD1 3.55Å; I91-F117 HydrophobicContact CB-CE1 3.44Å; I91-F117 VanDerWaalsContact CB-CE1 3.44Å; I91-F117 HydrophobicContact CB-CZ 4.35Å; I91-F117 HydrophobicContact CD1-CD1 4.43Å; I91-F117 HydrophobicContact CD1-CE1 3.45Å; I91-F117 VanDerWaalsContact CD1-CE1 3.45Å; I91-F117 HydrophobicContact CD1-CZ 3.69Å; I91-F117 HydrophobicContact CG1-CD1 4.48Å; I91-F117 HydrophobicContact CG1-CE1 3.93Å; I91-F117 HydrophobicContact CG1-CZ 4.46Å; I91-F117 HydrophobicContact CG2-CD1 3.78Å; I91-F117 HydrophobicContact CG2-CE1 3.62Å; I91-F117 WeakPolarHBondContact O-CA 3.39Å; I91-Q118 PolarHBondContact O-N 3.07Å
92	V	47.8	Very low	50	Low	48 Å²	48	61.3 Å²	61.3	29%	0.291	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.9	-169.7	-175.5	0	0	0	0	108.5	W9 I90 Q118 I120	W9-V92 HydrophobicContact CH2-CB 4.36Å; W9-V92 HydrophobicContact CH2-CG1 4.19Å; W9-V92 HydrophobicContact CH2-CG2 3.32Å; W9-V92 HydrophobicContact CZ3-CB 4.03Å; W9-V92 HydrophobicContact CZ3-CG1 3.69Å; W9-V92 HydrophobicContact CZ3-CG2 3.4Å; W9-V92 VanDerWaalsContact CZ3-CG2 3.4Å; I90-V92 HydrophobicContact CG2-CG2 3.84Å; V92-Q118 VanDerWaalsContact CA-O 3.26Å; V92-Q118 WeakPolarHBondContact CA-O 3.38Å; V92-I120 HydrophobicContact CG1-CD1 3.6Å; V92-I120 HydrophobicContact CG1-CG1 3.77Å
93	T	48.4	Very low	49.7	Very low	27 Å²	27	57.5 Å²	57.5	17%	0.166	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	145.4	-179.3	74.3	0	0	0	0	110.1	I91 Y102 Q118 I120	I91-T93 HydrophobicContact CG2-CG2 4.46Å; T93-Y102 HydrophobicContact CG2-CD2 3.95Å; T93-Y102 WeakPolarHBondContact OG1-CD2 3.45Å; T93-Q118 PolarHBondContact N-O 3.35Å; T93-Q118 VanDerWaalsContact N-O 3.16Å; T93-I120 PolarHBondContact O-N 3.05Å
94	I	44.2	Very low	49.4	Very low	111 Å²	111	53.5 Å²	53.5	57%	0.569	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	94.4	170.3	-37.7	172.1	0	0	0	104.2	L6 T122	L6-I94 HydrophobicContact CD1-CD1 4.37Å; I94-T122 HydrophobicContact CG2-CG2 3.42Å; I94-T122 VanDerWaalsContact CG2-CG2 3.42Å
95	S	44.7	Very low	49.5	Very low	16 Å²	16	48.1 Å²	48.1	11%	0.112	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	110.8	-175.4	157.2	0	0	0	0	108.7	G97 I120 T122	S95-G97 PolarHBondContact OG-O 3.23Å; S95-I120 PolarHBondContact N-O 3.42Å; S95-T122 PolarHBondContact O-N 2.93Å; S95-T122 PolarHBondContact O-OG1 2.88Å
96	S	43.2	Very low	49.4	Very low	85 Å²	85	49.5 Å²	49.5	59%	0.594	27%	0.272	S	S	*	.	S	Bend	trans	-89.5	87.5	155.7	57.6	0	0	0	0	107.2	T122	S96-T122 VanDerWaalsContact CA-OG1 3.26Å; S96-T122 WeakPolarHBondContact CA-OG1 3.46Å; S96-T122 WeakPolarHBondContact CB-OG1 3.39Å
97	G	41.7	Very low	49.6	Very low	16 Å²	16	46.8 Å²	46.8	17%	0.165	26%	0.261	C	S	.	.	S	Bend	trans	77.1	178.2	177.9	0	0	0	0	0	113.9	S95 S99	S95-G97 PolarHBondContact OG-O 3.23Å; G97-S99 PolarHBondContact O-N 2.96Å
98	L	41.7	Very low	49.5	Very low	96 Å²	96	42.4 Å²	42.4	50%	0.503	23%	0.233	S	C	.	.			trans	-68.6	57.3	-165.5	-66.6	145.9	0	0	0	113.2	G100	L98-G100 PolarHBondContact O-N 2.66Å
99	S	47	Very low	49.8	Very low	57 Å²	57	37.6 Å²	37.6	40%	0.399	22%	0.215	S	C	.	.			trans	-56.6	114.2	167.4	162.3	0	0	0	0	107.2	G97 T101 Y102	G97-S99 PolarHBondContact O-N 2.96Å; S99-T101 PolarHBondContact O-N 2.95Å; S99-T101 WeakPolarHBondContact OG-CB 3.01Å; S99-T101 PolarHBondContact OG-OG1 3.42Å; S99-Y102 WeakPolarHBondContact O-CB 3.41Å; S99-Y102 PolarHBondContact O-N 2.66Å
100	G	42.6	Very low	49.9	Very low	9 Å²	9	41.9 Å²	41.9	9%	0.093	23%	0.233	C	C	.	.	H	α-helix	trans	-47	-30.2	177.9	0	0	0	0	0	113	Y44 L98 Y102 N103 A104	Y44-G100 VanDerWaalsContact CD1-CA 3.44Å; L98-G100 PolarHBondContact O-N 2.66Å; G100-Y102 PolarHBondContact O-N 2.74Å; G100-N103 PolarHBondContact O-N 3.48Å; G100-A104 WeakPolarHBondContact O-CB 3.46Å; G100-A104 PolarHBondContact O-N 2.87Å
101	T	48.1	Very low	49.9	Very low	24 Å²	24	42.7 Å²	42.7	15%	0.147	24%	0.235	C	C	.	.	H	α-helix	trans	-58.1	-45.2	174.6	-30	0	0	0	0	112.4	I35 S99 L105	I35-T101 HydrophobicContact CB-CG2 4.36Å; I35-T101 HydrophobicContact CG1-CG2 3.57Å; S99-T101 PolarHBondContact O-N 2.95Å; S99-T101 WeakPolarHBondContact OG-CB 3.01Å; S99-T101 PolarHBondContact OG-OG1 3.42Å; T101-L105 HydrophobicContact CG2-CD1 4.3Å; T101-L105 VanDerWaalsContact O-CB 3.24Å; T101-L105 WeakPolarHBondContact O-CB 3.42Å; T101-L105 WeakPolarHBondContact O-CD1 3.14Å; T101-L105 WeakPolarHBondContact O-CG 3.26Å; T101-L105 PolarHBondContact O-N 3.21Å
102	Y	53.5	Low	50	Low	42 Å²	42	43.2 Å²	43.2	17%	0.165	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-43.8	176.7	172.5	-103.1	0	0	0	111.6	T93 S99 G100 L105 R106	T93-Y102 HydrophobicContact CG2-CD2 3.95Å; T93-Y102 WeakPolarHBondContact OG1-CD2 3.45Å; S99-Y102 WeakPolarHBondContact O-CB 3.41Å; S99-Y102 PolarHBondContact O-N 2.66Å; G100-Y102 PolarHBondContact O-N 2.74Å; Y102-L105 PolarHBondContact O-N 2.73Å; Y102-R106 VanDerWaalsContact O-CB 3.31Å; Y102-R106 WeakPolarHBondContact O-CB 3.32Å; Y102-R106 PolarHBondContact O-N 3.29Å
103	N	50.1	Low	50.3	Low	11 Å²	11	49.3 Å²	49.3	6%	0.059	26%	0.261	C	S	.	.	H	α-helix	trans	-67.6	-43.6	-179.4	-77.6	-17.4	0	0	0	111.6	D49 G100 L105 R106 V107	D49-N103 PolarHBondContact OD1-ND2 2.74Å; D49-N103 PolarHBondContact OD2-ND2 2.75Å; G100-N103 PolarHBondContact O-N 3.48Å; N103-L105 VanDerWaalsContact C-N 3.29Å; N103-L105 PolarHBondContact O-N 3.46Å; N103-R106 PolarHBondContact O-N 3.48Å; N103-V107 WeakPolarHBondContact O-CB 3.34Å; N103-V107 VanDerWaalsContact O-CG2 3.27Å; N103-V107 WeakPolarHBondContact O-CG2 3.26Å; N103-V107 PolarHBondContact O-N 3.44Å
104	A	51.6	Low	50.5	Low	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-56.2	-45.2	173	0	0	0	0	0	111.6	V38 G100 V107 L108	V38-A104 HydrophobicContact CG2-CB 3.64Å; G100-A104 WeakPolarHBondContact O-CB 3.46Å; G100-A104 PolarHBondContact O-N 2.87Å; A104-V107 PolarHBondContact O-N 3.04Å; A104-L108 WeakPolarHBondContact O-CG 3.44Å; A104-L108 PolarHBondContact O-N 2.95Å; A104-L108 VanDerWaalsContact O-N 3.12Å
105	L	55.6	Low	50.9	Low	8 Å²	8	44.4 Å²	44.4	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-66.4	-45	177.9	-73.5	176.4	0	0	0	112.5	M31 V34 T101 Y102 N103 V107 L108 G109 F117	M31-L105 HydrophobicContact CE-CD1 3.58Å; M31-L105 HydrophobicContact CE-CD2 3.28Å; M31-L105 HydrophobicContact CE-CG 4.07Å; M31-L105 HydrophobicContact SD-CD2 3.55Å; M31-L105 VanDerWaalsContact SD-CD2 3.55Å; V34-L105 HydrophobicContact CG1-CD2 4.43Å; T101-L105 HydrophobicContact CG2-CD1 4.3Å; T101-L105 VanDerWaalsContact O-CB 3.24Å; T101-L105 WeakPolarHBondContact O-CB 3.42Å; T101-L105 WeakPolarHBondContact O-CD1 3.14Å; T101-L105 WeakPolarHBondContact O-CG 3.26Å; T101-L105 PolarHBondContact O-N 3.21Å; Y102-L105 PolarHBondContact O-N 2.73Å; N103-L105 VanDerWaalsContact C-N 3.29Å; N103-L105 PolarHBondContact O-N 3.46Å; L105-V107 VanDerWaalsContact C-N 3.3Å; L105-V107 PolarHBondContact O-N 3.39Å; L105-L108 HydrophobicContact CD2-CD1 4.25Å; L105-L108 WeakPolarHBondContact O-CB 3.48Å; L105-L108 PolarHBondContact O-N 3.43Å; L105-L108 VanDerWaalsContact O-N 3.11Å; L105-G109 PolarHBondContact O-N 3.28Å; L105-F117 HydrophobicContact CB-CD1 3.96Å; L105-F117 HydrophobicContact CB-CE1 3.51Å; L105-F117 HydrophobicContact CB-CZ 3.97Å; L105-F117 HydrophobicContact CD1-CE1 4.45Å; L105-F117 HydrophobicContact CD2-CE1 4.26Å; L105-F117 HydrophobicContact CD2-CZ 4.44Å; L105-F117 HydrophobicContact CG-CE1 4.27Å; L105-F117 WeakPolarHBondContact O-CD2 3.44Å; L105-F117 WeakPolarHBondContact O-CE2 3.39Å; L105-F117 WeakPolarHBondContact O-CZ 3.27Å
106	R	54.2	Low	51.3	Low	87 Å²	87	46.6 Å²	46.6	33%	0.328	25%	0.251	S	S	.	.	H	α-helix	trans	-56.1	-44.5	175.2	-174.4	-173.8	69.3	75.8	-1.3	111.5	Y102 N103 L108 G109 E110	Y102-R106 VanDerWaalsContact O-CB 3.31Å; Y102-R106 WeakPolarHBondContact O-CB 3.32Å; Y102-R106 PolarHBondContact O-N 3.29Å; N103-R106 PolarHBondContact O-N 3.48Å; R106-L108 VanDerWaalsContact C-N 3.33Å; R106-L108 PolarHBondContact O-N 3.22Å; R106-G109 WeakPolarHBondContact O-CA 3.36Å; R106-G109 PolarHBondContact O-N 3.25Å; R106-E110 IonicContact CZ-OE1 3.77Å; R106-E110 IonicContact NH1-OE1 3.27Å; R106-E110 PolarHBondContact NH1-OE1 2.74Å; R106-E110 PolarHBondContact O-N 3.41Å
107	V	53.8	Low	51.9	Low	3 Å²	3	44 Å²	44	2%	0.018	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-38.2	177.3	167.8	0	0	0	0	111.9	I55 N103 A104 L105 G109 E110 H111	I55-V107 HydrophobicContact CD1-CG2 4.46Å; N103-V107 WeakPolarHBondContact O-CB 3.34Å; N103-V107 VanDerWaalsContact O-CG2 3.27Å; N103-V107 WeakPolarHBondContact O-CG2 3.26Å; N103-V107 PolarHBondContact O-N 3.44Å; A104-V107 PolarHBondContact O-N 3.04Å; L105-V107 VanDerWaalsContact C-N 3.3Å; L105-V107 PolarHBondContact O-N 3.39Å; V107-G109 VanDerWaalsContact C-N 3.29Å; V107-G109 PolarHBondContact O-N 2.87Å; V107-E110 PolarHBondContact O-N 2.88Å; V107-H111 PolarHBondContact O-ND1 3.34Å
108	L	55.5	Low	52.1	Low	6 Å²	6	47.7 Å²	47.7	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-39	172.1	-69.8	167.7	0	0	0	110.9	Y30 V34 F56 A104 L105 R106 E110 H111 Y112	Y30-L108 HydrophobicContact CE1-CD1 4.29Å; V34-L108 HydrophobicContact CG1-CD1 4.37Å; V34-L108 HydrophobicContact CG2-CD1 4.36Å; F56-L108 HydrophobicContact CD2-CD2 4.46Å; F56-L108 HydrophobicContact CE2-CD2 4.12Å; A104-L108 WeakPolarHBondContact O-CG 3.44Å; A104-L108 PolarHBondContact O-N 2.95Å; A104-L108 VanDerWaalsContact O-N 3.12Å; L105-L108 HydrophobicContact CD2-CD1 4.25Å; L105-L108 WeakPolarHBondContact O-CB 3.48Å; L105-L108 PolarHBondContact O-N 3.43Å; L105-L108 VanDerWaalsContact O-N 3.11Å; R106-L108 VanDerWaalsContact C-N 3.33Å; R106-L108 PolarHBondContact O-N 3.22Å; L108-E110 VanDerWaalsContact C-N 3.29Å; L108-E110 PolarHBondContact O-N 2.83Å; L108-H111 PolarHBondContact O-N 3.24Å; L108-Y112 HydrophobicContact CD2-CE2 4.42Å; L108-Y112 VanDerWaalsContact O-CD2 3.25Å; L108-Y112 WeakPolarHBondContact O-CD2 3.13Å; L108-Y112 PolarHBondContact O-N 3.5Å
109	G	59	Low	52.4	Low	13 Å²	13	44.9 Å²	44.9	13%	0.134	23%	0.23	C	C	.	.	H	α-helix	trans	-56.7	-37.7	176.8	0	0	0	0	0	114.9	L105 R106 V107 H111 Y112	L105-G109 PolarHBondContact O-N 3.28Å; R106-G109 WeakPolarHBondContact O-CA 3.36Å; R106-G109 PolarHBondContact O-N 3.25Å; V107-G109 VanDerWaalsContact C-N 3.29Å; V107-G109 PolarHBondContact O-N 2.87Å; G109-H111 PolarHBondContact O-N 3.13Å; G109-Y112 PolarHBondContact O-N 3.5Å
110	E	57.9	Low	52.4	Low	116 Å²	116	43.9 Å²	43.9	54%	0.542	22%	0.221	S	C	.	.	H	α-helix	trans	-66.3	-22.2	178.9	-66.8	176.2	176	0	0	112.8	R106 V107 L108	R106-E110 IonicContact CZ-OE1 3.77Å; R106-E110 IonicContact NH1-OE1 3.27Å; R106-E110 PolarHBondContact NH1-OE1 2.74Å; R106-E110 PolarHBondContact O-N 3.41Å; V107-E110 PolarHBondContact O-N 2.88Å; L108-E110 VanDerWaalsContact C-N 3.29Å; L108-E110 PolarHBondContact O-N 2.83Å
111	H	53.7	Low	52.7	Low	97 Å²	97	47.9 Å²	47.9	45%	0.449	24%	0.24	S	C	.	.	H	α-helix	trans	-97	-14.1	-178.5	-69.1	81	0	0	0	114	V107 L108 G109	V107-H111 PolarHBondContact O-ND1 3.34Å; L108-H111 PolarHBondContact O-N 3.24Å; G109-H111 PolarHBondContact O-N 3.13Å
112	Y	56.1	Low	52.8	Low	35 Å²	35	48.2 Å²	48.2	14%	0.137	24%	0.242	C	C	.	.	S	Bend	trans	-117.1	103	-178	-68.6	-75.7	0	0	0	111.7	I74 H75 F78 L108 G109 G114 L115	I74-Y112 HydrophobicContact CG2-CD1 4.34Å; I74-Y112 HydrophobicContact CG2-CE1 3.61Å; I74-Y112 HydrophobicContact CG2-CE2 3.9Å; I74-Y112 WeakPolarHBondContact CG2-OH 3.3Å; H75-Y112 AromaticContact CE1-CE1 3.68Å; H75-Y112 AromaticContact ND1-CE1 3.92Å; F78-Y112 AromaticContact CD2-CD1 3.74Å; F78-Y112 HydrophobicContact CD2-CD1 3.74Å; F78-Y112 HydrophobicContact CD2-CE1 4.2Å; F78-Y112 HydrophobicContact CD2-CG 4.03Å; F78-Y112 HydrophobicContact CE2-CD1 4.01Å; F78-Y112 HydrophobicContact CE2-CD2 4.15Å; F78-Y112 HydrophobicContact CE2-CE1 4.46Å; F78-Y112 AromaticContact CE2-CG 3.86Å; F78-Y112 HydrophobicContact CE2-CG 3.86Å; L108-Y112 HydrophobicContact CD2-CE2 4.42Å; L108-Y112 VanDerWaalsContact O-CD2 3.25Å; L108-Y112 WeakPolarHBondContact O-CD2 3.13Å; L108-Y112 PolarHBondContact O-N 3.5Å; G109-Y112 PolarHBondContact O-N 3.5Å; Y112-G114 PolarHBondContact O-N 3.41Å; Y112-G114 VanDerWaalsContact O-N 3.13Å; Y112-L115 WeakPolarHBondContact O-CB 3.43Å; Y112-L115 PolarHBondContact O-N 2.98Å
113	E	54	Low	53.1	Low	176 Å²	176	49 Å²	49	82%	0.822	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	115.3	179.4	-160.4	-179.1	-157.9	0	0	111.3	K82	K82-E113 WeakPolarHBondContact CE-O 3.15Å; K82-E113 PolarHBondContact NZ-O 2.53Å
114	G	52	Low	54.1	Low	17 Å²	17	50 Å²	50	18%	0.175	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	110.4	-13.2	-174.7	0	0	0	0	0	114.4	H88 V89 Y112	H88-G114 CarbonylContact C-O 3.53Å; H88-G114 WeakPolarHBondContact CA-O 3.44Å; H88-G114 WeakPolarHBondContact CB-O 3.39Å; V89-G114 PolarHBondContact N-O 2.74Å; Y112-G114 PolarHBondContact O-N 3.41Å; Y112-G114 VanDerWaalsContact O-N 3.13Å
115	L	53.5	Low	54.7	Low	18 Å²	18	50.9 Å²	50.9	9%	0.094	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	117.2	179.3	-170.8	60.8	0	0	0	110.7	F78 V89 I91 Y112 F117	F78-L115 HydrophobicContact CE1-CB 4.39Å; F78-L115 HydrophobicContact CE1-CD1 3.76Å; F78-L115 HydrophobicContact CE1-CD2 4.21Å; F78-L115 HydrophobicContact CE1-CG 4.35Å; F78-L115 HydrophobicContact CE2-CD2 4.28Å; F78-L115 HydrophobicContact CZ-CB 4.48Å; F78-L115 HydrophobicContact CZ-CD1 3.85Å; F78-L115 HydrophobicContact CZ-CD2 3.56Å; F78-L115 HydrophobicContact CZ-CG 4.18Å; V89-L115 HydrophobicContact CB-CD1 3.69Å; V89-L115 HydrophobicContact CG1-CD1 3.75Å; I91-L115 HydrophobicContact CD1-CD1 3.97Å; I91-L115 HydrophobicContact CG1-CD1 4.31Å; Y112-L115 WeakPolarHBondContact O-CB 3.43Å; Y112-L115 PolarHBondContact O-N 2.98Å; L115-F117 HydrophobicContact CD1-CE2 4.17Å; L115-F117 HydrophobicContact CD1-CZ 4.2Å; L115-F117 HydrophobicContact CD2-CE2 3.39Å; L115-F117 HydrophobicContact CD2-CZ 3.65Å; L115-F117 HydrophobicContact CG-CD2 4.18Å; L115-F117 HydrophobicContact CG-CE2 3.39Å; L115-F117 HydrophobicContact CG-CZ 3.85Å
116	V	52.1	Low	56	Low	63 Å²	63	51 Å²	51	38%	0.382	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.3	-177.2	-177.9	0	0	0	0	109.2	V89 I90 I91	V89-V116 PolarHBondContact O-N 2.77Å; I90-V116 CarbonylContact C-O 3.5Å; I90-V116 VanDerWaalsContact CA-O 3.23Å; I90-V116 WeakPolarHBondContact CA-O 3.45Å; I90-V116 HydrophobicContact CG1-CB 4.29Å; I91-V116 PolarHBondContact N-O 3.29Å
117	F	55.6	Low	57.4	Low	31 Å²	31	46.8 Å²	46.8	14%	0.136	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	131.8	172.7	-69.7	-87.6	0	0	0	110.3	I91 L105 L115	I91-F117 HydrophobicContact CB-CD1 3.55Å; I91-F117 HydrophobicContact CB-CE1 3.44Å; I91-F117 VanDerWaalsContact CB-CE1 3.44Å; I91-F117 HydrophobicContact CB-CZ 4.35Å; I91-F117 HydrophobicContact CD1-CD1 4.43Å; I91-F117 HydrophobicContact CD1-CE1 3.45Å; I91-F117 VanDerWaalsContact CD1-CE1 3.45Å; I91-F117 HydrophobicContact CD1-CZ 3.69Å; I91-F117 HydrophobicContact CG1-CD1 4.48Å; I91-F117 HydrophobicContact CG1-CE1 3.93Å; I91-F117 HydrophobicContact CG1-CZ 4.46Å; I91-F117 HydrophobicContact CG2-CD1 3.78Å; I91-F117 HydrophobicContact CG2-CE1 3.62Å; I91-F117 WeakPolarHBondContact O-CA 3.39Å; L105-F117 HydrophobicContact CB-CD1 3.96Å; L105-F117 HydrophobicContact CB-CE1 3.51Å; L105-F117 HydrophobicContact CB-CZ 3.97Å; L105-F117 HydrophobicContact CD1-CE1 4.45Å; L105-F117 HydrophobicContact CD2-CE1 4.26Å; L105-F117 HydrophobicContact CD2-CZ 4.44Å; L105-F117 HydrophobicContact CG-CE1 4.27Å; L105-F117 WeakPolarHBondContact O-CD2 3.44Å; L105-F117 WeakPolarHBondContact O-CE2 3.39Å; L105-F117 WeakPolarHBondContact O-CZ 3.27Å; L115-F117 HydrophobicContact CD1-CE2 4.17Å; L115-F117 HydrophobicContact CD1-CZ 4.2Å; L115-F117 HydrophobicContact CD2-CE2 3.39Å; L115-F117 HydrophobicContact CD2-CZ 3.65Å; L115-F117 HydrophobicContact CG-CD2 4.18Å; L115-F117 HydrophobicContact CG-CE2 3.39Å; L115-F117 HydrophobicContact CG-CZ 3.85Å
118	Q	46.8	Very low	59	Low	93 Å²	93	46.9 Å²	46.9	44%	0.435	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	109.3	176.5	-168.6	161.1	17.2	0	0	109.7	I91 V92 T93	I91-Q118 PolarHBondContact O-N 3.07Å; V92-Q118 VanDerWaalsContact CA-O 3.26Å; V92-Q118 WeakPolarHBondContact CA-O 3.38Å; T93-Q118 PolarHBondContact N-O 3.35Å; T93-Q118 VanDerWaalsContact N-O 3.16Å
119	S	48.5	Very low	60.7	Low	36 Å²	36	46.8 Å²	46.8	25%	0.252	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	138.8	166.3	65.4	0	0	0	0	109.6
120	I	45.3	Very low	62.2	Low	37 Å²	37	46.3 Å²	46.3	19%	0.19	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	107	160.7	-59.5	177	0	0	0	105	L6 V92 T93 S95 T122	L6-I120 HydrophobicContact CD1-CD1 4.43Å; L6-I120 HydrophobicContact CD2-CD1 3.91Å; L6-I120 HydrophobicContact CG-CD1 3.85Å; V92-I120 HydrophobicContact CG1-CD1 3.6Å; V92-I120 HydrophobicContact CG1-CG1 3.77Å; T93-I120 PolarHBondContact O-N 3.05Å; S95-I120 PolarHBondContact N-O 3.42Å; I120-T122 PolarHBondContact O-N 3.47Å
121	D	49.3	Very low	63.8	Low	92 Å²	92	44.2 Å²	44.2	49%	0.492	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	114	171.2	-79.2	-34.9	0	0	0	108
122	T	50.3	Low	65.5	Low	31 Å²	31	44 Å²	44	19%	0.19	23%	0.23	C	C	.	.			trans	-71	149.3	163.4	57.7	0	0	0	0	108.4	I94 S95 S96 I120 N124	I94-T122 HydrophobicContact CG2-CG2 3.42Å; I94-T122 VanDerWaalsContact CG2-CG2 3.42Å; S95-T122 PolarHBondContact O-N 2.93Å; S95-T122 PolarHBondContact O-OG1 2.88Å; S96-T122 VanDerWaalsContact CA-OG1 3.26Å; S96-T122 WeakPolarHBondContact CA-OG1 3.46Å; S96-T122 WeakPolarHBondContact CB-OG1 3.39Å; I120-T122 PolarHBondContact O-N 3.47Å; T122-N124 PolarHBondContact O-N 3.43Å
123	K	61	Low	67.2	Low	59 Å²	59	47.9 Å²	47.9	26%	0.257	25%	0.248	S	C	.	.			trans	-45.3	129.8	170.6	-65	163.8	155.6	-93.1	0	109.6	V125 G147 E149	K123-V125 PolarHBondContact O-N 2.89Å; K123-G147 VanDerWaalsContact CG-O 3.24Å; K123-G147 WeakPolarHBondContact CG-O 3.36Å; K123-G147 PolarHBondContact NZ-O 2.82Å; K123-E149 HydrophobicContact CB-CB 4.14Å; K123-E149 HydrophobicContact CD-CB 4.5Å
124	N	69.3	Low	68.9	Low	32 Å²	32	43.8 Å²	43.8	17%	0.171	24%	0.236	C	C	.	.			trans	-59.4	130.8	172.1	-63.3	89.5	0	0	0	108.8	T122 Y148 E149 D169 L238 R240	T122-N124 PolarHBondContact O-N 3.43Å; N124-Y148 HydrophobicContact CB-CD1 3.82Å; N124-Y148 HydrophobicContact CB-CE1 4Å; N124-E149 PolarHBondContact O-N 2.89Å; N124-D169 WeakPolarHBondContact CA-OD2 3.38Å; N124-D169 HydrophobicContact CB-CB 4.1Å; N124-D169 PolarHBondContact ND2-OD1 2.96Å; N124-L238 HydrophobicContact CB-CD1 3.81Å; N124-L238 HydrophobicContact CB-CD2 4.34Å; N124-R240 PolarHBondContact ND2-NH2 2.83Å
125	V	66.2	Low	70.6	Confident	18 Å²	18	44.8 Å²	44.8	11%	0.109	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	119.2	179.9	179.7	0	0	0	0	108	K123 E149 F151 V166 P168 D169 L170	K123-V125 PolarHBondContact O-N 2.89Å; V125-E149 CarbonylContact C-O 3.52Å; V125-E149 WeakPolarHBondContact CA-O 3.44Å; V125-E149 HydrophobicContact CG2-CB 4.38Å; V125-F151 HydrophobicContact CG1-CD2 3.63Å; V125-F151 HydrophobicContact CG1-CE2 3.59Å; V125-V166 HydrophobicContact CG1-CB 4.32Å; V125-V166 HydrophobicContact CG1-CG2 3.88Å; V125-P168 HydrophobicContact CG1-CB 4.22Å; V125-P168 CarbonylContact O-C 3.59Å; V125-P168 WeakPolarHBondContact O-CA 3.17Å; V125-P168 WeakPolarHBondContact O-CB 3.2Å; V125-D169 PolarHBondContact N-OD2 2.85Å; V125-D169 PolarHBondContact O-N 3.05Å; V125-L170 PolarHBondContact O-N 3.42Å
126	G	81.8	Confident	72.4	Confident	10 Å²	10	44 Å²	44	10%	0.103	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	146.9	173.9	0	0	0	0	0	111.5	E149 V150 F151 L170	G126-E149 PolarHBondContact N-O 3.4Å; G126-V150 WeakPolarHBondContact O-CA 3.21Å; G126-F151 PolarHBondContact O-N 3.3Å; G126-L170 VanDerWaalsContact CA-O 3.31Å; G126-L170 WeakPolarHBondContact CA-O 3.47Å
127	I	82.7	Confident	74.2	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.1	164	-58.9	176.1	0	0	0	108.9	V129 F151 K162 V163 V166 P168 L170 L172	I127-V129 HydrophobicContact CG2-CG2 3.54Å; I127-F151 CarbonylContact C-O 3.6Å; I127-F151 WeakPolarHBondContact CA-O 3.44Å; I127-F151 HydrophobicContact CG1-CB 4.34Å; I127-K162 HydrophobicContact CD1-CB 3.96Å; I127-K162 HydrophobicContact CD1-CG 3.6Å; I127-K162 HydrophobicContact CG1-CG 4.04Å; I127-K162 HydrophobicContact CG2-CG 4.41Å; I127-V163 HydrophobicContact CD1-CB 4.42Å; I127-V163 HydrophobicContact CD1-CG2 3.75Å; I127-V166 HydrophobicContact CD1-CG2 3.93Å; I127-V166 HydrophobicContact CG1-CG2 4.05Å; I127-P168 HydrophobicContact CD1-CB 4.1Å; I127-P168 HydrophobicContact CD1-CG 3.58Å; I127-P168 HydrophobicContact CG1-CB 3.83Å; I127-P168 HydrophobicContact CG1-CG 3.87Å; I127-L170 PolarHBondContact N-O 3.38Å; I127-L172 PolarHBondContact O-N 3.32Å
128	V	89.2	Confident	75.8	Confident	5 Å²	5	48 Å²	48	3%	0.03	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120.1	167.5	-175.9	0	0	0	0	108.4	V139 L143 V150 F151 T152 A153 L172	V128-V139 HydrophobicContact CG1-CB 4.18Å; V128-V139 HydrophobicContact CG1-CG1 4.04Å; V128-V139 HydrophobicContact CG2-CB 4.39Å; V128-V139 HydrophobicContact CG2-CG1 3.65Å; V128-L143 HydrophobicContact CG2-CD1 4.35Å; V128-V150 HydrophobicContact CB-CG1 4.49Å; V128-V150 HydrophobicContact CG2-CG1 3.53Å; V128-F151 PolarHBondContact N-O 3.47Å; V128-T152 HydrophobicContact CB-CG2 4.3Å; V128-T152 CarbonylContact O-C 3.6Å; V128-T152 VanDerWaalsContact O-CA 3.24Å; V128-T152 WeakPolarHBondContact O-CA 3.34Å; V128-A153 PolarHBondContact O-N 3.49Å; V128-L172 HydrophobicContact CG2-CD1 4.19Å
129	V	90.1	Very high	77.9	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	104.4	-177.5	-167.6	0	0	0	0	109	I127 A153 A159 I171 L172 L173 D174 L177	I127-V129 HydrophobicContact CG2-CG2 3.54Å; V129-A153 WeakPolarHBondContact CA-O 3.34Å; V129-A153 HydrophobicContact CG1-CB 4.2Å; V129-A153 HydrophobicContact CG2-CB 4.33Å; V129-A159 HydrophobicContact CB-CB 4.36Å; V129-A159 HydrophobicContact CG1-CB 3.57Å; V129-A159 HydrophobicContact CG2-CB 3.81Å; V129-I171 HydrophobicContact CG2-CG2 3.96Å; V129-L172 PolarHBondContact N-O 3.37Å; V129-L173 HydrophobicContact CB-CD1 3.67Å; V129-L173 HydrophobicContact CG1-CD1 3.82Å; V129-L173 HydrophobicContact CG2-CD1 4.03Å; V129-D174 PolarHBondContact O-N 2.99Å; V129-L177 HydrophobicContact CB-CD1 4.37Å; V129-L177 HydrophobicContact CG1-CD1 3.36Å; V129-L177 HydrophobicContact CG1-CD2 3.91Å; V129-L177 HydrophobicContact CG1-CG 4.29Å
130	D	90.5	Very high	79.9	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.021	24%	0.237	C	C	.	.			trans	-156.9	128.1	-176.5	-160.3	-42.8	0	0	0	108.9	E132 I135 S136 A153 Y154 K223	D130-E132 PolarHBondContact O-N 3.15Å; D130-E132 WeakPolarHBondContact OD1-CB 3.31Å; D130-E132 PolarHBondContact OD1-N 3.39Å; D130-I135 WeakPolarHBondContact OD2-CG2 3.37Å; D130-S136 VanDerWaalsContact CB-OG 3.32Å; D130-S136 WeakPolarHBondContact CB-OG 3.42Å; D130-S136 PolarHBondContact O-OG 2.93Å; D130-A153 PolarHBondContact N-O 3.42Å; D130-A153 VanDerWaalsContact N-O 3.09Å; D130-Y154 WeakPolarHBondContact O-CD1 3.4Å; D130-K223 VanDerWaalsContact CG-NZ 3.26Å; D130-K223 IonicContact OD1-NZ 3.24Å; D130-K223 PolarHBondContact OD1-NZ 2.81Å; D130-K223 WeakPolarHBondContact OD2-CE 3.44Å; D130-K223 IonicContact OD2-NZ 2.65Å; D130-K223 PolarHBondContact OD2-NZ 2.93Å
131	D	91	Very high	81.8	Confident	71 Å²	71	50.4 Å²	50.4	38%	0.38	26%	0.257	S	S	.	.	S	Bend	trans	-70.8	-23.3	179.3	70.4	-52.2	0	0	0	111.8	K133 Y154 P178	D131-K133 PolarHBondContact O-N 3.22Å; D131-Y154 WeakPolarHBondContact CA-O 3.25Å; D131-Y154 WeakPolarHBondContact CB-O 3.29Å; D131-P178 HydrophobicContact CB-CG 4.14Å
132	E	91.1	Very high	83.4	Confident	94 Å²	94	47.6 Å²	47.6	44%	0.439	24%	0.242	S	C	.	.			trans	-77.3	88	171.6	-62.3	-169.1	-120.5	0	0	111.2	D130 P134 I135 S136	D130-E132 PolarHBondContact O-N 3.15Å; D130-E132 WeakPolarHBondContact OD1-CB 3.31Å; D130-E132 PolarHBondContact OD1-N 3.39Å; E132-P134 VanDerWaalsContact C-N 3.29Å; E132-P134 VanDerWaalsContact O-N 3.09Å; E132-I135 HydrophobicContact CB-CB 4.17Å; E132-I135 HydrophobicContact CB-CD1 3.84Å; E132-I135 HydrophobicContact CB-CG1 3.9Å; E132-I135 VanDerWaalsContact CD-CD1 3.46Å; E132-I135 HydrophobicContact CG-CD1 4.23Å; E132-I135 WeakPolarHBondContact O-CA 3.36Å; E132-I135 WeakPolarHBondContact O-CB 3.38Å; E132-I135 PolarHBondContact O-N 3.25Å; E132-I135 WeakPolarHBondContact OE2-CD1 3.39Å; E132-S136 PolarHBondContact O-N 3.41Å; E132-S136 VanDerWaalsContact O-N 3.09Å
133	K	91.3	Very high	85.1	Confident	116 Å²	116	46.4 Å²	46.4	50%	0.504	23%	0.234	S	C	.	.	H	α-helix	trans	-44.5	-43.7	177	-54.8	-164.2	172.4	-174.1	0	114.8	D131 I135 S136 D137 Y154	D131-K133 PolarHBondContact O-N 3.22Å; K133-I135 VanDerWaalsContact C-N 3.3Å; K133-I135 PolarHBondContact O-N 2.93Å; K133-S136 WeakPolarHBondContact O-CB 3.34Å; K133-S136 PolarHBondContact O-N 3.38Å; K133-D137 WeakPolarHBondContact O-CB 3.32Å; K133-D137 VanDerWaalsContact O-CG 3.3Å; K133-D137 PolarHBondContact O-N 3.33Å; K133-Y154 HydrophobicContact CB-CE1 4.15Å; K133-Y154 HydrophobicContact CD-CD1 4.33Å; K133-Y154 HydrophobicContact CD-CE1 4.15Å; K133-Y154 HydrophobicContact CG-CD1 3.69Å; K133-Y154 HydrophobicContact CG-CE1 3.67Å; K133-Y154 HydrophobicContact CG-CG 4.46Å
134	P	89.8	Confident	86.1	Confident	89 Å²	89	46.8 Å²	46.8	58%	0.578	24%	0.241	S	C	*	.	H	α-helix	trans	-60.8	-35.7	177.7	-23.8	35.6	0	0	0	113.8	E132 I138	E132-P134 VanDerWaalsContact C-N 3.29Å; E132-P134 VanDerWaalsContact O-N 3.09Å; P134-I138 WeakPolarHBondContact O-CD1 3.26Å; P134-I138 WeakPolarHBondContact O-CG1 3.33Å; P134-I138 PolarHBondContact O-N 3.49Å
135	I	87.4	Confident	86.4	Confident	39 Å²	39	53 Å²	53	20%	0.2	27%	0.267	C	S	.	.	H	α-helix	trans	-70.2	-50.5	176.4	-59.7	-176.9	0	0	0	109.3	D130 E132 K133 D137 I138 V139 K223	D130-I135 WeakPolarHBondContact OD2-CG2 3.37Å; E132-I135 HydrophobicContact CB-CB 4.17Å; E132-I135 HydrophobicContact CB-CD1 3.84Å; E132-I135 HydrophobicContact CB-CG1 3.9Å; E132-I135 VanDerWaalsContact CD-CD1 3.46Å; E132-I135 HydrophobicContact CG-CD1 4.23Å; E132-I135 WeakPolarHBondContact O-CA 3.36Å; E132-I135 WeakPolarHBondContact O-CB 3.38Å; E132-I135 PolarHBondContact O-N 3.25Å; E132-I135 WeakPolarHBondContact OE2-CD1 3.39Å; K133-I135 VanDerWaalsContact C-N 3.3Å; K133-I135 PolarHBondContact O-N 2.93Å; I135-D137 VanDerWaalsContact C-N 3.31Å; I135-D137 PolarHBondContact O-N 3.36Å; I135-I138 PolarHBondContact O-N 3.36Å; I135-I138 VanDerWaalsContact O-N 3.17Å; I135-V139 HydrophobicContact CG2-CG2 4.28Å; I135-V139 WeakPolarHBondContact O-CG2 3.3Å; I135-V139 PolarHBondContact O-N 2.79Å; I135-K223 HydrophobicContact CD1-CD 4.17Å
136	S	91.5	Very high	87	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-50.7	-47.9	174.8	-93.4	0	0	0	0	112.6	D130 E132 K133 V139 K140	D130-S136 VanDerWaalsContact CB-OG 3.32Å; D130-S136 WeakPolarHBondContact CB-OG 3.42Å; D130-S136 PolarHBondContact O-OG 2.93Å; E132-S136 PolarHBondContact O-N 3.41Å; E132-S136 VanDerWaalsContact O-N 3.09Å; K133-S136 WeakPolarHBondContact O-CB 3.34Å; K133-S136 PolarHBondContact O-N 3.38Å; S136-V139 PolarHBondContact O-N 3.48Å; S136-K140 WeakPolarHBondContact O-CB 3.33Å; S136-K140 PolarHBondContact O-N 2.98Å
137	D	89.2	Confident	86.7	Confident	86 Å²	86	57.5 Å²	57.5	46%	0.46	29%	0.292	S	S	.	.	H	α-helix	trans	-65	-41.2	-179.5	-75.6	-24.1	0	0	0	112.3	K133 I135 F141	K133-D137 WeakPolarHBondContact O-CB 3.32Å; K133-D137 VanDerWaalsContact O-CG 3.3Å; K133-D137 PolarHBondContact O-N 3.33Å; I135-D137 VanDerWaalsContact C-N 3.31Å; I135-D137 PolarHBondContact O-N 3.36Å; D137-F141 VanDerWaalsContact O-CB 3.23Å; D137-F141 WeakPolarHBondContact O-CB 3.46Å; D137-F141 PolarHBondContact O-N 3.33Å
138	I	89.1	Confident	86.5	Confident	94 Å²	94	58.7 Å²	58.7	48%	0.482	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-48	176.4	-70.9	167	0	0	0	109.9	P134 I135 F141 N142	P134-I138 WeakPolarHBondContact O-CD1 3.26Å; P134-I138 WeakPolarHBondContact O-CG1 3.33Å; P134-I138 PolarHBondContact O-N 3.49Å; I135-I138 PolarHBondContact O-N 3.36Å; I135-I138 VanDerWaalsContact O-N 3.17Å; I138-F141 PolarHBondContact O-N 3.35Å; I138-N142 WeakPolarHBondContact CG2-ND2 3.45Å; I138-N142 PolarHBondContact O-N 2.99Å; I138-N142 PolarHBondContact O-ND2 3.24Å
139	V	91.3	Very high	86.3	Confident	6 Å²	6	62.9 Å²	62.9	4%	0.036	32%	0.316	C	S	.	.	H	α-helix	trans	-61.6	-49.5	179.6	173.7	0	0	0	0	110.3	V128 I135 S136 F141 N142 L143 L172 F225 L230	V128-V139 HydrophobicContact CG1-CB 4.18Å; V128-V139 HydrophobicContact CG1-CG1 4.04Å; V128-V139 HydrophobicContact CG2-CB 4.39Å; V128-V139 HydrophobicContact CG2-CG1 3.65Å; I135-V139 HydrophobicContact CG2-CG2 4.28Å; I135-V139 WeakPolarHBondContact O-CG2 3.3Å; I135-V139 PolarHBondContact O-N 2.79Å; S136-V139 PolarHBondContact O-N 3.48Å; V139-F141 VanDerWaalsContact C-N 3.34Å; V139-F141 PolarHBondContact O-N 3.34Å; V139-N142 PolarHBondContact O-N 3.32Å; V139-L143 HydrophobicContact CG1-CD1 3.8Å; V139-L143 HydrophobicContact CG1-CG 4.32Å; V139-L143 PolarHBondContact O-N 3.43Å; V139-L172 HydrophobicContact CG1-CD1 3.58Å; V139-F225 HydrophobicContact CG2-CE2 4.06Å; V139-F225 HydrophobicContact CG2-CZ 3.79Å; V139-L230 HydrophobicContact CB-CD2 4.39Å; V139-L230 HydrophobicContact CG1-CD2 3.65Å; V139-L230 HydrophobicContact CG2-CD2 3.88Å
140	K	90.7	Very high	86.1	Confident	72 Å²	72	63.1 Å²	63.1	31%	0.313	32%	0.318	S	S	.	.	H	α-helix	trans	-53.2	-49	175	177.3	175.7	-172.3	158.3	0	111.9	S136 N142 T144 V150 T152	S136-K140 WeakPolarHBondContact O-CB 3.33Å; S136-K140 PolarHBondContact O-N 2.98Å; K140-N142 PolarHBondContact O-N 3.37Å; K140-T144 VanDerWaalsContact O-CB 3.24Å; K140-T144 WeakPolarHBondContact O-CB 3.34Å; K140-T144 PolarHBondContact O-N 3.13Å; K140-T144 PolarHBondContact O-OG1 2.84Å; K140-V150 HydrophobicContact CB-CG1 4.08Å; K140-V150 WeakPolarHBondContact CE-O 3.39Å; K140-V150 HydrophobicContact CG-CB 4.04Å; K140-V150 HydrophobicContact CG-CG1 3.99Å; K140-V150 PolarHBondContact NZ-O 3.02Å; K140-T152 HydrophobicContact CB-CG2 4.22Å; K140-T152 HydrophobicContact CD-CG2 3.8Å
141	F	85.4	Confident	86.2	Confident	138 Å²	138	65.5 Å²	65.5	61%	0.605	33%	0.328	S	S	*	.	H	α-helix	trans	-59	-46.6	179	175	-97.4	0	0	0	112.1	D137 I138 V139 K145	D137-F141 VanDerWaalsContact O-CB 3.23Å; D137-F141 WeakPolarHBondContact O-CB 3.46Å; D137-F141 PolarHBondContact O-N 3.33Å; I138-F141 PolarHBondContact O-N 3.35Å; V139-F141 VanDerWaalsContact C-N 3.34Å; V139-F141 PolarHBondContact O-N 3.34Å; F141-K145 WeakPolarHBondContact O-CB 3.48Å; F141-K145 PolarHBondContact O-N 3.08Å
142	N	83.6	Confident	86.4	Confident	33 Å²	33	62.9 Å²	62.9	18%	0.176	32%	0.315	C	S	.	.	H	α-helix	trans	-69	-42.9	-178	-72.4	-73.3	0	0	0	112.2	I138 V139 K140 K145 E146 N227	I138-N142 WeakPolarHBondContact CG2-ND2 3.45Å; I138-N142 PolarHBondContact O-N 2.99Å; I138-N142 PolarHBondContact O-ND2 3.24Å; V139-N142 PolarHBondContact O-N 3.32Å; K140-N142 PolarHBondContact O-N 3.37Å; N142-K145 WeakPolarHBondContact O-CB 2.95Å; N142-K145 PolarHBondContact O-N 3.04Å; N142-E146 PolarHBondContact O-N 3.06Å; N142-E146 VanDerWaalsContact O-N 3.16Å; N142-N227 PolarHBondContact ND2-ND2 2.89Å; N142-N227 PolarHBondContact OD1-ND2 2.82Å; N142-N227 VanDerWaalsContact OD1-ND2 3.13Å
143	L	84.9	Confident	86.6	Confident	6 Å²	6	58.4 Å²	58.4	3%	0.031	29%	0.294	C	S	.	.	H	α-helix	trans	-66.8	-39.8	176.5	-71.3	178.2	0	0	0	111.8	V128 V139 K145 E146 G147 Y148 V150 L172 V231 V234	V128-L143 HydrophobicContact CG2-CD1 4.35Å; V139-L143 HydrophobicContact CG1-CD1 3.8Å; V139-L143 HydrophobicContact CG1-CG 4.32Å; V139-L143 PolarHBondContact O-N 3.43Å; L143-K145 PolarHBondContact O-N 3.21Å; L143-E146 CarbonylContact O-C 3.41Å; L143-E146 WeakPolarHBondContact O-CA 3.22Å; L143-E146 WeakPolarHBondContact O-CB 3.37Å; L143-E146 PolarHBondContact O-N 3.45Å; L143-G147 PolarHBondContact O-N 3.41Å; L143-Y148 HydrophobicContact CB-CD2 4.11Å; L143-Y148 HydrophobicContact CD2-CD2 3.87Å; L143-Y148 HydrophobicContact CD2-CE2 4.2Å; L143-Y148 WeakPolarHBondContact O-CB 3.32Å; L143-Y148 VanDerWaalsContact O-CD2 3.29Å; L143-Y148 WeakPolarHBondContact O-CD2 3.37Å; L143-Y148 PolarHBondContact O-N 3.14Å; L143-Y148 VanDerWaalsContact O-N 3.15Å; L143-V150 HydrophobicContact CB-CG2 3.62Å; L143-V150 HydrophobicContact CD1-CG2 4.3Å; L143-L172 HydrophobicContact CD1-CD1 3.77Å; L143-V231 HydrophobicContact CD2-CG2 4.11Å; L143-V234 HydrophobicContact CD2-CB 4.27Å; L143-V234 HydrophobicContact CD2-CG1 4.15Å; L143-V234 HydrophobicContact CD2-CG2 4.06Å
144	T	82.4	Confident	86.8	Confident	66 Å²	66	55.6 Å²	55.6	41%	0.405	28%	0.281	S	S	.	.	H	α-helix	trans	-60.2	-37.7	174.7	-56.8	0	0	0	0	111.5	K140 E146 G147 Y148	K140-T144 VanDerWaalsContact O-CB 3.24Å; K140-T144 WeakPolarHBondContact O-CB 3.34Å; K140-T144 PolarHBondContact O-N 3.13Å; K140-T144 PolarHBondContact O-OG1 2.84Å; T144-E146 VanDerWaalsContact C-N 3.31Å; T144-E146 PolarHBondContact O-N 3.42Å; T144-G147 PolarHBondContact O-N 2.83Å; T144-G147 VanDerWaalsContact O-N 3.11Å; T144-Y148 WeakPolarHBondContact CA-O 3.36Å
145	K	76.2	Confident	87.1	Confident	162 Å²	162	52.5 Å²	52.5	70%	0.704	26%	0.259	S	S	*	.	H	α-helix	trans	-65.9	-31.7	175.4	-172.8	-176.9	175.8	-174.2	0	112.9	F141 N142 L143 G147	F141-K145 WeakPolarHBondContact O-CB 3.48Å; F141-K145 PolarHBondContact O-N 3.08Å; N142-K145 WeakPolarHBondContact O-CB 2.95Å; N142-K145 PolarHBondContact O-N 3.04Å; L143-K145 PolarHBondContact O-N 3.21Å; K145-G147 PolarHBondContact O-N 3.31Å
146	E	76.9	Confident	87.5	Confident	91 Å²	91	50.6 Å²	50.6	43%	0.425	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-3.3	173.6	-67.6	-67.9	134.1	0	0	113.2	N142 L143 T144 Y148 V231 K235	N142-E146 PolarHBondContact O-N 3.06Å; N142-E146 VanDerWaalsContact O-N 3.16Å; L143-E146 CarbonylContact O-C 3.41Å; L143-E146 WeakPolarHBondContact O-CA 3.22Å; L143-E146 WeakPolarHBondContact O-CB 3.37Å; L143-E146 PolarHBondContact O-N 3.45Å; T144-E146 VanDerWaalsContact C-N 3.31Å; T144-E146 PolarHBondContact O-N 3.42Å; E146-Y148 HydrophobicContact CB-CD2 3.79Å; E146-Y148 HydrophobicContact CB-CE2 3.74Å; E146-V231 HydrophobicContact CG-CB 4.5Å; E146-V231 HydrophobicContact CG-CG1 3.76Å; E146-V231 HydrophobicContact CG-CG2 3.85Å; E146-K235 IonicContact OE2-NZ 3.27Å; E146-K235 PolarHBondContact OE2-NZ 2.81Å
147	G	75.8	Confident	87.7	Confident	32 Å²	32	54.7 Å²	54.7	33%	0.33	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.2	-10.2	174.6	0	0	0	0	0	114.4	K123 L143 T144 K145	K123-G147 VanDerWaalsContact CG-O 3.24Å; K123-G147 WeakPolarHBondContact CG-O 3.36Å; K123-G147 PolarHBondContact NZ-O 2.82Å; L143-G147 PolarHBondContact O-N 3.41Å; T144-G147 PolarHBondContact O-N 2.83Å; T144-G147 VanDerWaalsContact O-N 3.11Å; K145-G147 PolarHBondContact O-N 3.31Å
148	Y	79.9	Confident	88.1	Confident	25 Å²	25	53.3 Å²	53.3	10%	0.098	26%	0.259	C	S	.	.			trans	-65.4	150	179.1	-59.4	-69.3	0	0	0	112.3	N124 L143 T144 E146 V234 K235 L238	N124-Y148 HydrophobicContact CB-CD1 3.82Å; N124-Y148 HydrophobicContact CB-CE1 4Å; L143-Y148 HydrophobicContact CB-CD2 4.11Å; L143-Y148 HydrophobicContact CD2-CD2 3.87Å; L143-Y148 HydrophobicContact CD2-CE2 4.2Å; L143-Y148 WeakPolarHBondContact O-CB 3.32Å; L143-Y148 VanDerWaalsContact O-CD2 3.29Å; L143-Y148 WeakPolarHBondContact O-CD2 3.37Å; L143-Y148 PolarHBondContact O-N 3.14Å; L143-Y148 VanDerWaalsContact O-N 3.15Å; T144-Y148 WeakPolarHBondContact CA-O 3.36Å; E146-Y148 HydrophobicContact CB-CD2 3.79Å; E146-Y148 HydrophobicContact CB-CE2 3.74Å; Y148-V234 HydrophobicContact CE1-CG1 4.27Å; Y148-V234 HydrophobicContact CE2-CG1 4.08Å; Y148-K235 WeakPolarHBondContact OH-CG 3.43Å; Y148-L238 HydrophobicContact CD1-CD1 4Å; Y148-L238 HydrophobicContact CE1-CD1 3.36Å
149	E	83.3	Confident	88.4	Confident	93 Å²	93	48.9 Å²	48.9	44%	0.435	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127	162.9	-179.6	159.8	-158.9	0	0	108	K123 N124 V125 G126 F151	K123-E149 HydrophobicContact CB-CB 4.14Å; K123-E149 HydrophobicContact CD-CB 4.5Å; N124-E149 PolarHBondContact O-N 2.89Å; V125-E149 CarbonylContact C-O 3.52Å; V125-E149 WeakPolarHBondContact CA-O 3.44Å; V125-E149 HydrophobicContact CG2-CB 4.38Å; G126-E149 PolarHBondContact N-O 3.4Å; E149-F151 HydrophobicContact CG-CE2 3.87Å; E149-F151 HydrophobicContact CG-CZ 4.24Å
150	V	87.6	Confident	88.5	Confident	9 Å²	9	50 Å²	50	6%	0.055	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	119.8	-168.1	-175.1	0	0	0	0	111.7	G126 V128 K140 L143	G126-V150 WeakPolarHBondContact O-CA 3.21Å; V128-V150 HydrophobicContact CB-CG1 4.49Å; V128-V150 HydrophobicContact CG2-CG1 3.53Å; K140-V150 HydrophobicContact CB-CG1 4.08Å; K140-V150 WeakPolarHBondContact CE-O 3.39Å; K140-V150 HydrophobicContact CG-CB 4.04Å; K140-V150 HydrophobicContact CG-CG1 3.99Å; K140-V150 PolarHBondContact NZ-O 3.02Å; L143-V150 HydrophobicContact CB-CG2 3.62Å; L143-V150 HydrophobicContact CD1-CG2 4.3Å
151	F	92.6	Very high	88.6	Confident	54 Å²	54	53 Å²	53	24%	0.237	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	156.7	170.4	-61.5	-86.7	0	0	0	109.9	V125 G126 I127 V128 E149 K162 V166	V125-F151 HydrophobicContact CG1-CD2 3.63Å; V125-F151 HydrophobicContact CG1-CE2 3.59Å; G126-F151 PolarHBondContact O-N 3.3Å; I127-F151 CarbonylContact C-O 3.6Å; I127-F151 WeakPolarHBondContact CA-O 3.44Å; I127-F151 HydrophobicContact CG1-CB 4.34Å; V128-F151 PolarHBondContact N-O 3.47Å; E149-F151 HydrophobicContact CG-CE2 3.87Å; E149-F151 HydrophobicContact CG-CZ 4.24Å; F151-K162 HydrophobicContact CB-CD 3.9Å; F151-K162 HydrophobicContact CB-CG 3.98Å; F151-K162 HydrophobicContact CD1-CD 4.15Å; F151-K162 HydrophobicContact CG-CD 4.12Å; F151-V166 HydrophobicContact CD1-CG1 4.16Å; F151-V166 HydrophobicContact CD2-CB 4.13Å; F151-V166 HydrophobicContact CD2-CG1 3.98Å; F151-V166 HydrophobicContact CD2-CG2 3.89Å; F151-V166 HydrophobicContact CE1-CG1 4.11Å; F151-V166 HydrophobicContact CE2-CB 4.05Å; F151-V166 HydrophobicContact CE2-CG1 3.92Å; F151-V166 HydrophobicContact CE2-CG2 4.28Å; F151-V166 HydrophobicContact CG-CG1 4.1Å; F151-V166 HydrophobicContact CG-CG2 4.42Å; F151-V166 HydrophobicContact CZ-CG1 4Å
152	T	95	Very high	88.8	Confident	16 Å²	16	48 Å²	48	10%	0.098	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.8	-179.4	46	0	0	0	0	109.1	V128 K140 Y154	V128-T152 HydrophobicContact CB-CG2 4.3Å; V128-T152 CarbonylContact O-C 3.6Å; V128-T152 VanDerWaalsContact O-CA 3.24Å; V128-T152 WeakPolarHBondContact O-CA 3.34Å; K140-T152 HydrophobicContact CB-CG2 4.22Å; K140-T152 HydrophobicContact CD-CG2 3.8Å; T152-Y154 PolarHBondContact OG1-OH 3.15Å
153	A	95.4	Very high	88.9	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	149.7	166.2	0	0	0	0	0	108.8	V128 V129 D130 E158 A159	V128-A153 PolarHBondContact O-N 3.49Å; V129-A153 WeakPolarHBondContact CA-O 3.34Å; V129-A153 HydrophobicContact CG1-CB 4.2Å; V129-A153 HydrophobicContact CG2-CB 4.33Å; D130-A153 PolarHBondContact N-O 3.42Å; D130-A153 VanDerWaalsContact N-O 3.09Å; A153-E158 HydrophobicContact CB-CB 4.03Å; A153-E158 HydrophobicContact CB-CG 3.74Å; A153-A159 HydrophobicContact CB-CB 4.15Å
154	Y	95.6	Very high	89	Confident	57 Å²	57	52.7 Å²	52.7	22%	0.224	26%	0.256	C	S	.	.	S	Bend	trans	-117.4	-1.8	-173.2	-51.3	-73.9	0	0	0	113	D130 D131 K133 T152 E158	D130-Y154 WeakPolarHBondContact O-CD1 3.4Å; D131-Y154 WeakPolarHBondContact CA-O 3.25Å; D131-Y154 WeakPolarHBondContact CB-O 3.29Å; K133-Y154 HydrophobicContact CB-CE1 4.15Å; K133-Y154 HydrophobicContact CD-CD1 4.33Å; K133-Y154 HydrophobicContact CD-CE1 4.15Å; K133-Y154 HydrophobicContact CG-CD1 3.69Å; K133-Y154 HydrophobicContact CG-CE1 3.67Å; K133-Y154 HydrophobicContact CG-CG 4.46Å; T152-Y154 PolarHBondContact OG1-OH 3.15Å; Y154-E158 WeakPolarHBondContact CD2-OE2 3.42Å; Y154-E158 PolarHBondContact N-OE2 2.98Å
155	D	96	Very high	89	Confident	23 Å²	23	55.9 Å²	55.9	12%	0.123	27%	0.266	C	S	.	.	S	Bend	trans	-149	164.7	173.7	71.8	59.3	0	0	0	110.7	E157 E158 A159 P178 K179	D155-E157 VanDerWaalsContact C-N 3.32Å; D155-E157 PolarHBondContact O-N 3.47Å; D155-E157 PolarHBondContact OD1-N 3.5Å; D155-E158 PolarHBondContact O-N 3.43Å; D155-E158 PolarHBondContact OD1-N 3.42Å; D155-A159 WeakPolarHBondContact O-CB 3.35Å; D155-A159 PolarHBondContact O-N 3Å; D155-P178 HydrophobicContact CB-CB 4.44Å; D155-P178 HydrophobicContact CB-CG 3.73Å; D155-P178 WeakPolarHBondContact CB-O 3.47Å; D155-K179 HydrophobicContact CB-CD 4.38Å; D155-K179 HydrophobicContact CB-CG 4.3Å; D155-K179 IonicContact OD1-NZ 3.33Å; D155-K179 PolarHBondContact OD1-NZ 2.94Å; D155-K179 WeakPolarHBondContact OD2-CE 3.45Å; D155-K179 IonicContact OD2-NZ 2.72Å; D155-K179 PolarHBondContact OD2-NZ 3.01Å
156	G	94.7	Very high	89.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-71.6	-21.8	-173.3	0	0	0	0	0	114.8	L160 P178 K180 V185	G156-L160 WeakPolarHBondContact O-CG 3.33Å; G156-L160 PolarHBondContact O-N 3.44Å; G156-P178 PolarHBondContact N-O 3.16Å; G156-P178 VanDerWaalsContact N-O 3.09Å; G156-K180 WeakPolarHBondContact CA-O 3.17Å; G156-V185 WeakPolarHBondContact O-CG2 3.23Å
157	E	96.8	Very high	89.4	Confident	85 Å²	85	50.2 Å²	50.2	40%	0.397	25%	0.248	S	C	.	.	H	α-helix	trans	-76.7	-45.4	173.5	-68.6	178.8	169.8	0	0	110.6	D155 A159 L160 E161 K179 K180	D155-E157 VanDerWaalsContact C-N 3.32Å; D155-E157 PolarHBondContact O-N 3.47Å; D155-E157 PolarHBondContact OD1-N 3.5Å; E157-A159 PolarHBondContact O-N 3.42Å; E157-L160 PolarHBondContact O-N 2.95Å; E157-L160 VanDerWaalsContact O-N 3.15Å; E157-E161 WeakPolarHBondContact O-CG 3.46Å; E157-E161 PolarHBondContact O-N 2.95Å; E157-K179 HydrophobicContact CB-CD 4.23Å; E157-K179 HydrophobicContact CG-CB 3.99Å; E157-K179 HydrophobicContact CG-CD 4.05Å; E157-K179 WeakPolarHBondContact OE2-CD 3.34Å; E157-K179 IonicContact OE2-NZ 3.5Å; E157-K180 HydrophobicContact CG-CD 4.24Å; E157-K180 HydrophobicContact CG-CG 4.4Å
158	E	96.4	Very high	89.9	Confident	58 Å²	58	48.9 Å²	48.9	27%	0.271	23%	0.233	S	C	.	.	H	α-helix	trans	-58.9	-35.2	174.3	-173.9	-176.6	-170.1	0	0	111.1	A153 Y154 D155 K162	A153-E158 HydrophobicContact CB-CB 4.03Å; A153-E158 HydrophobicContact CB-CG 3.74Å; Y154-E158 WeakPolarHBondContact CD2-OE2 3.42Å; Y154-E158 PolarHBondContact N-OE2 2.98Å; D155-E158 PolarHBondContact O-N 3.43Å; D155-E158 PolarHBondContact OD1-N 3.42Å; E158-K162 VanDerWaalsContact O-CB 3.24Å; E158-K162 WeakPolarHBondContact O-CB 3.09Å; E158-K162 PolarHBondContact O-N 2.92Å
159	A	94.8	Very high	90	Very high	1 Å²	1	49 Å²	49	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-60	-49.6	175.2	0	0	0	0	0	111.9	V129 A153 D155 E157 K162 V163 V185	V129-A159 HydrophobicContact CB-CB 4.36Å; V129-A159 HydrophobicContact CG1-CB 3.57Å; V129-A159 HydrophobicContact CG2-CB 3.81Å; A153-A159 HydrophobicContact CB-CB 4.15Å; D155-A159 WeakPolarHBondContact O-CB 3.35Å; D155-A159 PolarHBondContact O-N 3Å; E157-A159 PolarHBondContact O-N 3.42Å; A159-K162 PolarHBondContact O-N 2.7Å; A159-V163 VanDerWaalsContact O-CG2 3.31Å; A159-V163 WeakPolarHBondContact O-CG2 3.36Å; A159-V163 PolarHBondContact O-N 3.46Å; A159-V185 HydrophobicContact CB-CG1 4.08Å
160	L	94.2	Very high	90.4	Very high	29 Å²	29	44.8 Å²	44.8	15%	0.152	22%	0.216	C	C	.	.	H	α-helix	trans	-66.2	-43.1	179.6	-66.9	168.7	0	0	0	111.6	G156 E157 K162 V163 E164 K180 V185 E188 V189	G156-L160 WeakPolarHBondContact O-CG 3.33Å; G156-L160 PolarHBondContact O-N 3.44Å; E157-L160 PolarHBondContact O-N 2.95Å; E157-L160 VanDerWaalsContact O-N 3.15Å; L160-K162 VanDerWaalsContact C-N 3.27Å; L160-K162 PolarHBondContact O-N 3.41Å; L160-V163 PolarHBondContact O-N 3.43Å; L160-E164 WeakPolarHBondContact O-CG 3.46Å; L160-E164 PolarHBondContact O-N 2.78Å; L160-K180 HydrophobicContact CD1-CD 3.61Å; L160-V185 HydrophobicContact CD2-CG1 4.14Å; L160-V185 HydrophobicContact CG-CG1 4.42Å; L160-E188 WeakPolarHBondContact CD1-OE2 3.34Å; L160-E188 HydrophobicContact CD2-CB 3.82Å; L160-V189 HydrophobicContact CD2-CG2 3.93Å
161	E	93	Very high	90.7	Very high	134 Å²	134	44.4 Å²	44.4	63%	0.626	21%	0.214	S	C	*	.	H	α-helix	trans	-57.7	-42.6	173.6	-71.5	179.5	-179.1	0	0	111.4	E157 E164 E165	E157-E161 WeakPolarHBondContact O-CG 3.46Å; E157-E161 PolarHBondContact O-N 2.95Å; E161-E164 PolarHBondContact O-N 2.8Å; E161-E165 WeakPolarHBondContact O-CB 3.26Å; E161-E165 PolarHBondContact O-N 2.82Å
162	K	89.4	Confident	90.7	Very high	34 Å²	34	42.1 Å²	42.1	15%	0.148	20%	0.204	C	C	.	.	H	α-helix	trans	-70.5	-36.6	-179.4	-170.9	63.6	72.8	-161.1	0	112.1	I127 F151 E158 A159 L160 E164 E165 V166	I127-K162 HydrophobicContact CD1-CB 3.96Å; I127-K162 HydrophobicContact CD1-CG 3.6Å; I127-K162 HydrophobicContact CG1-CG 4.04Å; I127-K162 HydrophobicContact CG2-CG 4.41Å; F151-K162 HydrophobicContact CB-CD 3.9Å; F151-K162 HydrophobicContact CB-CG 3.98Å; F151-K162 HydrophobicContact CD1-CD 4.15Å; F151-K162 HydrophobicContact CG-CD 4.12Å; E158-K162 VanDerWaalsContact O-CB 3.24Å; E158-K162 WeakPolarHBondContact O-CB 3.09Å; E158-K162 PolarHBondContact O-N 2.92Å; A159-K162 PolarHBondContact O-N 2.7Å; L160-K162 VanDerWaalsContact C-N 3.27Å; L160-K162 PolarHBondContact O-N 3.41Å; K162-E164 VanDerWaalsContact C-N 3.32Å; K162-E164 PolarHBondContact O-N 2.87Å; K162-E165 IonicContact NZ-OE1 2.86Å; K162-E165 PolarHBondContact NZ-OE1 3.44Å; K162-E165 IonicContact NZ-OE2 3.47Å; K162-E165 PolarHBondContact NZ-OE2 2.88Å; K162-E165 PolarHBondContact O-N 3.36Å; K162-V166 HydrophobicContact CD-CG1 3.58Å; K162-V166 HydrophobicContact CD-CG2 4.39Å; K162-V166 HydrophobicContact CG-CG1 4.38Å; K162-V166 HydrophobicContact CG-CG2 4.31Å; K162-V166 WeakPolarHBondContact O-CG2 3.26Å; K162-V166 PolarHBondContact O-N 2.99Å
163	V	86.9	Confident	90.7	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-57	-48.3	174.4	168.5	0	0	0	0	110.4	I127 A159 L160 E165 N167 P168 I171 V189 M195	I127-V163 HydrophobicContact CD1-CB 4.42Å; I127-V163 HydrophobicContact CD1-CG2 3.75Å; A159-V163 VanDerWaalsContact O-CG2 3.31Å; A159-V163 WeakPolarHBondContact O-CG2 3.36Å; A159-V163 PolarHBondContact O-N 3.46Å; L160-V163 PolarHBondContact O-N 3.43Å; V163-E165 PolarHBondContact O-N 3.15Å; V163-N167 VanDerWaalsContact O-CA 3.29Å; V163-N167 WeakPolarHBondContact O-CA 3.16Å; V163-N167 PolarHBondContact O-N 3.46Å; V163-P168 HydrophobicContact CG2-CG 4.42Å; V163-I171 HydrophobicContact CG2-CD1 3.49Å; V163-I171 VanDerWaalsContact CG2-CD1 3.49Å; V163-I171 HydrophobicContact CG2-CG1 4.44Å; V163-V189 HydrophobicContact CG1-CG2 4.38Å; V163-V189 HydrophobicContact CG2-CG2 4.09Å; V163-M195 HydrophobicContact CG1-CE 4.39Å
164	E	86.1	Confident	90.5	Very high	135 Å²	135	41.7 Å²	41.7	63%	0.631	20%	0.201	S	C	*	.	H	α-helix	trans	-67.9	-33.9	178	-62	-66.2	152.6	0	0	112.6	L160 E161 K162 H193	L160-E164 WeakPolarHBondContact O-CG 3.46Å; L160-E164 PolarHBondContact O-N 2.78Å; E161-E164 PolarHBondContact O-N 2.8Å; K162-E164 VanDerWaalsContact C-N 3.32Å; K162-E164 PolarHBondContact O-N 2.87Å; E164-H193 IonicContact OE1-CE1 3.93Å; E164-H193 PolarHBondContact OE1-CE1 3.43Å
165	E	82.8	Confident	90.2	Very high	132 Å²	132	39.4 Å²	39.4	62%	0.617	19%	0.193	S	C	*	.	H	α-helix	trans	-70.3	-43.1	179.9	-176	-167.6	146.5	0	0	112.9	E161 K162 V163	E161-E165 WeakPolarHBondContact O-CB 3.26Å; E161-E165 PolarHBondContact O-N 2.82Å; K162-E165 IonicContact NZ-OE1 2.86Å; K162-E165 PolarHBondContact NZ-OE1 3.44Å; K162-E165 IonicContact NZ-OE2 3.47Å; K162-E165 PolarHBondContact NZ-OE2 2.88Å; K162-E165 PolarHBondContact O-N 3.36Å; V163-E165 PolarHBondContact O-N 3.15Å
166	V	80.3	Confident	89.8	Confident	30 Å²	30	43.6 Å²	43.6	18%	0.182	21%	0.213	C	C	.	.	H	α-helix	trans	-114.6	-11.4	-168.2	-47	0	0	0	0	114.7	V125 I127 F151 K162 P168	V125-V166 HydrophobicContact CG1-CB 4.32Å; V125-V166 HydrophobicContact CG1-CG2 3.88Å; I127-V166 HydrophobicContact CD1-CG2 3.93Å; I127-V166 HydrophobicContact CG1-CG2 4.05Å; F151-V166 HydrophobicContact CD1-CG1 4.16Å; F151-V166 HydrophobicContact CD2-CB 4.13Å; F151-V166 HydrophobicContact CD2-CG1 3.98Å; F151-V166 HydrophobicContact CD2-CG2 3.89Å; F151-V166 HydrophobicContact CE1-CG1 4.11Å; F151-V166 HydrophobicContact CE2-CB 4.05Å; F151-V166 HydrophobicContact CE2-CG1 3.92Å; F151-V166 HydrophobicContact CE2-CG2 4.28Å; F151-V166 HydrophobicContact CG-CG1 4.1Å; F151-V166 HydrophobicContact CG-CG2 4.42Å; F151-V166 HydrophobicContact CZ-CG1 4Å; K162-V166 HydrophobicContact CD-CG1 3.58Å; K162-V166 HydrophobicContact CD-CG2 4.39Å; K162-V166 HydrophobicContact CG-CG1 4.38Å; K162-V166 HydrophobicContact CG-CG2 4.31Å; K162-V166 WeakPolarHBondContact O-CG2 3.26Å; K162-V166 PolarHBondContact O-N 2.99Å; V166-P168 HydrophobicContact CG2-CB 4.32Å
167	N	81.7	Confident	89.6	Confident	105 Å²	105	44.3 Å²	44.3	56%	0.561	22%	0.217	S	C	*	.			trans	43	68.9	-176.6	-171.3	30.4	0	0	0	112.9	V163	V163-N167 VanDerWaalsContact O-CA 3.29Å; V163-N167 WeakPolarHBondContact O-CA 3.16Å; V163-N167 PolarHBondContact O-N 3.46Å
168	P	84.7	Confident	89.3	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.019	22%	0.216	C	C	.	.			trans	-69.3	153.6	-170.5	33.2	-39.7	0	0	0	113	V125 I127 V163 V166 L170 I171 M195	V125-P168 HydrophobicContact CG1-CB 4.22Å; V125-P168 CarbonylContact O-C 3.59Å; V125-P168 WeakPolarHBondContact O-CA 3.17Å; V125-P168 WeakPolarHBondContact O-CB 3.2Å; I127-P168 HydrophobicContact CD1-CB 4.1Å; I127-P168 HydrophobicContact CD1-CG 3.58Å; I127-P168 HydrophobicContact CG1-CB 3.83Å; I127-P168 HydrophobicContact CG1-CG 3.87Å; V163-P168 HydrophobicContact CG2-CG 4.42Å; V166-P168 HydrophobicContact CG2-CB 4.32Å; P168-L170 VanDerWaalsContact C-N 3.31Å; P168-I171 HydrophobicContact CG-CD1 4.45Å; P168-I171 HydrophobicContact CG-CG1 4Å; P168-M195 HydrophobicContact CG-CE 4.23Å; P168-M195 WeakPolarHBondContact O-CB 3.27Å; P168-M195 WeakPolarHBondContact O-CE 3.33Å
169	D	82.5	Confident	89.3	Confident	29 Å²	29	46.9 Å²	46.9	16%	0.155	23%	0.232	C	C	.	.	S	Bend	trans	-75.1	-18.8	169.2	-59.9	-96.8	0	0	0	112.8	N124 V125 P196 L238 R240	N124-D169 WeakPolarHBondContact CA-OD2 3.38Å; N124-D169 HydrophobicContact CB-CB 4.1Å; N124-D169 PolarHBondContact ND2-OD1 2.96Å; V125-D169 PolarHBondContact N-OD2 2.85Å; V125-D169 PolarHBondContact O-N 3.05Å; D169-P196 WeakPolarHBondContact O-CD 3.31Å; D169-L238 HydrophobicContact CB-CD2 3.53Å; D169-L238 WeakPolarHBondContact O-CD2 3.39Å; D169-R240 IonicContact OD1-CZ 3.14Å; D169-R240 IonicContact OD1-NH1 2.61Å; D169-R240 PolarHBondContact OD1-NH1 3.3Å
170	L	90.9	Very high	89.2	Confident	4 Å²	4	49 Å²	49	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	148.5	179.5	179.9	145.4	0	0	0	112.4	V125 G126 I127 P168 L172 P196 I198 V234 N237 L238	V125-L170 PolarHBondContact O-N 3.42Å; G126-L170 VanDerWaalsContact CA-O 3.31Å; G126-L170 WeakPolarHBondContact CA-O 3.47Å; I127-L170 PolarHBondContact N-O 3.38Å; P168-L170 VanDerWaalsContact C-N 3.31Å; L170-L172 HydrophobicContact CD2-CD2 3.7Å; L170-L172 HydrophobicContact CD2-CG 3.92Å; L170-P196 WeakPolarHBondContact CA-O 3.39Å; L170-P196 HydrophobicContact CD1-CB 4.18Å; L170-P196 HydrophobicContact CG-CB 4.46Å; L170-I198 HydrophobicContact CD1-CD1 3.86Å; L170-I198 HydrophobicContact CD1-CG1 4.15Å; L170-I198 HydrophobicContact CD2-CD1 4.38Å; L170-I198 HydrophobicContact CD2-CG1 4.49Å; L170-V234 HydrophobicContact CD1-CG1 4.45Å; L170-V234 HydrophobicContact CD2-CG2 4.15Å; L170-N237 HydrophobicContact CD1-CB 3.7Å; L170-L238 HydrophobicContact CB-CD2 3.71Å; L170-L238 HydrophobicContact CB-CG 4.16Å; L170-L238 HydrophobicContact CD1-CD2 4.3Å; L170-L238 HydrophobicContact CD1-CG 3.95Å
171	I	94.1	Very high	89	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.8	173.9	-51.9	177.2	0	0	0	110.5	V129 V163 P168 L173 V189 M195 P196 I197 I198	V129-I171 HydrophobicContact CG2-CG2 3.96Å; V163-I171 HydrophobicContact CG2-CD1 3.49Å; V163-I171 VanDerWaalsContact CG2-CD1 3.49Å; V163-I171 HydrophobicContact CG2-CG1 4.44Å; P168-I171 HydrophobicContact CG-CD1 4.45Å; P168-I171 HydrophobicContact CG-CG1 4Å; I171-L173 HydrophobicContact CG2-CB 4.12Å; I171-V189 HydrophobicContact CD1-CG1 3.85Å; I171-V189 HydrophobicContact CD1-CG2 4.05Å; I171-M195 HydrophobicContact CD1-CG 4.36Å; I171-M195 HydrophobicContact CD1-SD 4.18Å; I171-M195 HydrophobicContact CG1-CG 4.19Å; I171-P196 PolarHBondContact N-O 2.77Å; I171-I197 HydrophobicContact CB-CG1 4.35Å; I171-I197 HydrophobicContact CD1-CG1 4.41Å; I171-I198 PolarHBondContact O-N 3.36Å
172	L	94.3	Very high	88.8	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.026	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.5	162.8	-62.1	-173.2	0	0	0	108.3	I127 V128 V129 V139 L143 L170 I198 V200 L230 V234	I127-L172 PolarHBondContact O-N 3.32Å; V128-L172 HydrophobicContact CG2-CD1 4.19Å; V129-L172 PolarHBondContact N-O 3.37Å; V139-L172 HydrophobicContact CG1-CD1 3.58Å; L143-L172 HydrophobicContact CD1-CD1 3.77Å; L170-L172 HydrophobicContact CD2-CD2 3.7Å; L170-L172 HydrophobicContact CD2-CG 3.92Å; L172-I198 WeakPolarHBondContact CA-O 3.48Å; L172-I198 HydrophobicContact CD2-CB 3.64Å; L172-I198 HydrophobicContact CD2-CD1 3.89Å; L172-I198 HydrophobicContact CD2-CG1 4.08Å; L172-I198 HydrophobicContact CD2-CG2 4.13Å; L172-V200 HydrophobicContact CB-CG2 4.13Å; L172-V200 HydrophobicContact CD2-CG2 4.18Å; L172-L230 HydrophobicContact CD1-CD1 3.97Å; L172-L230 HydrophobicContact CD1-CD2 3.87Å; L172-L230 HydrophobicContact CD1-CG 4.18Å; L172-L230 HydrophobicContact CD2-CD1 3.97Å; L172-V234 HydrophobicContact CD1-CG2 4.34Å; L172-V234 HydrophobicContact CD2-CG2 3.96Å
173	L	94	Very high	88.8	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	116.2	-164.9	-174.8	58.7	0	0	0	112.6	V129 I171 L177 G182 V185 A186 I197 I198 M199 V200	V129-L173 HydrophobicContact CB-CD1 3.67Å; V129-L173 HydrophobicContact CG1-CD1 3.82Å; V129-L173 HydrophobicContact CG2-CD1 4.03Å; I171-L173 HydrophobicContact CG2-CB 4.12Å; L173-L177 HydrophobicContact CD1-CD1 3.59Å; L173-G182 WeakPolarHBondContact CD2-O 3.17Å; L173-V185 HydrophobicContact CD1-CB 4.25Å; L173-V185 HydrophobicContact CD1-CG1 3.95Å; L173-V185 HydrophobicContact CD2-CB 4.17Å; L173-V185 HydrophobicContact CD2-CG1 4.02Å; L173-A186 HydrophobicContact CD2-CB 3.96Å; L173-I197 HydrophobicContact CB-CG2 4.02Å; L173-I197 HydrophobicContact CD2-CG2 3.87Å; L173-I198 PolarHBondContact N-O 2.89Å; L173-M199 HydrophobicContact CB-CE 4.34Å; L173-M199 HydrophobicContact CB-SD 4.03Å; L173-M199 HydrophobicContact CD2-CE 4.03Å; L173-M199 HydrophobicContact CD2-SD 3.95Å; L173-M199 HydrophobicContact CG-CE 4.01Å; L173-M199 HydrophobicContact CG-SD 4.18Å; L173-M199 CarbonylContact O-C 3.59Å; L173-M199 VanDerWaalsContact O-CA 3.3Å; L173-M199 WeakPolarHBondContact O-CA 3.44Å; L173-V200 PolarHBondContact O-N 2.74Å
174	D	91.9	Very high	88.9	Confident	7 Å²	7	47 Å²	47	4%	0.037	23%	0.234	C	C	.	.			trans	-69.5	143.8	165.7	-158.2	-22.6	0	0	0	110.8	V129 M176 L177 G182 V200 T201 K223	V129-D174 PolarHBondContact O-N 2.99Å; D174-M176 PolarHBondContact OD1-N 2.93Å; D174-L177 HydrophobicContact CB-CD2 4.21Å; D174-L177 HydrophobicContact CB-CG 4.38Å; D174-L177 WeakPolarHBondContact O-CD1 3.22Å; D174-L177 WeakPolarHBondContact O-CG 3.41Å; D174-G182 VanDerWaalsContact O-CA 3.28Å; D174-G182 WeakPolarHBondContact O-CA 3.39Å; D174-V200 VanDerWaalsContact CA-O 3.26Å; D174-V200 WeakPolarHBondContact CA-O 3.36Å; D174-T201 VanDerWaalsContact OD1-CB 3.24Å; D174-T201 WeakPolarHBondContact OD1-CB 3.42Å; D174-T201 PolarHBondContact OD1-OG1 2.97Å; D174-K223 IonicContact OD2-NZ 2.67Å; D174-K223 PolarHBondContact OD2-NZ 2.8Å
175	L	88.3	Confident	89.2	Confident	10 Å²	10	40.7 Å²	40.7	5%	0.052	20%	0.204	C	C	.	.	S	Bend	trans	-68.8	-40.7	170.6	-72.4	176.8	0	0	0	111.9	L177 G182 L183 M199 T201 D208 Y220	L175-L177 PolarHBondContact O-N 2.92Å; L175-G182 PolarHBondContact O-N 2.68Å; L175-L183 HydrophobicContact CD2-CD1 4.38Å; L175-L183 HydrophobicContact CD2-CD2 3.28Å; L175-L183 HydrophobicContact CD2-CG 3.59Å; L175-M199 HydrophobicContact CD2-CE 3.17Å; L175-M199 HydrophobicContact CG-CE 3.82Å; L175-T201 HydrophobicContact CB-CG2 4.4Å; L175-T201 HydrophobicContact CD1-CG2 3.45Å; L175-T201 VanDerWaalsContact CD1-CG2 3.45Å; L175-T201 HydrophobicContact CG-CG2 3.86Å; L175-D208 HydrophobicContact CD1-CB 3.98Å; L175-Y220 HydrophobicContact CD1-CE2 4.34Å
176	M	87.4	Confident	89.6	Confident	110 Å²	110	34.4 Å²	34.4	54%	0.542	18%	0.175	S	C	.	.	S	Bend	trans	-94.5	67.1	-168.4	-63.9	-65.1	-61.2	0	0	111.1	D174	D174-M176 PolarHBondContact OD1-N 2.93Å
177	L	91.1	Very high	90	Very high	16 Å²	16	38.1 Å²	38.1	8%	0.084	19%	0.186	C	C	.	.			trans	-97.7	146.5	179.9	-67.2	170	0	0	0	112.6	V129 L173 D174 L175 K180	V129-L177 HydrophobicContact CB-CD1 4.37Å; V129-L177 HydrophobicContact CG1-CD1 3.36Å; V129-L177 HydrophobicContact CG1-CD2 3.91Å; V129-L177 HydrophobicContact CG1-CG 4.29Å; L173-L177 HydrophobicContact CD1-CD1 3.59Å; D174-L177 HydrophobicContact CB-CD2 4.21Å; D174-L177 HydrophobicContact CB-CG 4.38Å; D174-L177 WeakPolarHBondContact O-CD1 3.22Å; D174-L177 WeakPolarHBondContact O-CG 3.41Å; L175-L177 PolarHBondContact O-N 2.92Å; L177-K180 VanDerWaalsContact CB-O 3.23Å; L177-K180 WeakPolarHBondContact CB-O 3.16Å
178	P	91.4	Very high	90.4	Very high	59 Å²	59	36.2 Å²	36.2	38%	0.383	17%	0.174	S	C	.	.	S	Bend	trans	-71.5	160.6	169.4	25.3	-27	0	0	0	111.8	D131 D155 G156 K180	D131-P178 HydrophobicContact CB-CG 4.14Å; D155-P178 HydrophobicContact CB-CB 4.44Å; D155-P178 HydrophobicContact CB-CG 3.73Å; D155-P178 WeakPolarHBondContact CB-O 3.47Å; G156-P178 PolarHBondContact N-O 3.16Å; G156-P178 VanDerWaalsContact N-O 3.09Å; P178-K180 PolarHBondContact O-N 2.5Å
179	K	95.2	Very high	90.6	Very high	137 Å²	137	36.2 Å²	36.2	60%	0.596	17%	0.174	S	C	*	.	S	Bend	trans	64.9	-54.4	-177.3	-50	-170.3	-167	153.4	0	115.7	D155 E157	D155-K179 HydrophobicContact CB-CD 4.38Å; D155-K179 HydrophobicContact CB-CG 4.3Å; D155-K179 IonicContact OD1-NZ 3.33Å; D155-K179 PolarHBondContact OD1-NZ 2.94Å; D155-K179 WeakPolarHBondContact OD2-CE 3.45Å; D155-K179 IonicContact OD2-NZ 2.72Å; D155-K179 PolarHBondContact OD2-NZ 3.01Å; E157-K179 HydrophobicContact CB-CD 4.23Å; E157-K179 HydrophobicContact CG-CB 3.99Å; E157-K179 HydrophobicContact CG-CD 4.05Å; E157-K179 WeakPolarHBondContact OE2-CD 3.34Å; E157-K179 IonicContact OE2-NZ 3.5Å
180	K	92	Very high	90.8	Very high	46 Å²	46	37.6 Å²	37.6	20%	0.2	18%	0.184	C	C	.	.	S	Bend	trans	-132.1	132.2	170.2	-81.1	178.2	168.1	-76.3	0	107.9	G156 E157 L160 L177 P178 E184 V185 E188	G156-K180 WeakPolarHBondContact CA-O 3.17Å; E157-K180 HydrophobicContact CG-CD 4.24Å; E157-K180 HydrophobicContact CG-CG 4.4Å; L160-K180 HydrophobicContact CD1-CD 3.61Å; L177-K180 VanDerWaalsContact CB-O 3.23Å; L177-K180 WeakPolarHBondContact CB-O 3.16Å; P178-K180 PolarHBondContact O-N 2.5Å; K180-E184 IonicContact NZ-OE2 3.12Å; K180-V185 HydrophobicContact CB-CG2 4.21Å; K180-E188 IonicContact NZ-OE1 3.63Å; K180-E188 PolarHBondContact NZ-OE1 3.49Å; K180-E188 IonicContact NZ-OE2 3.95Å
181	D	90.2	Very high	90.4	Very high	64 Å²	64	44.4 Å²	44.4	34%	0.342	21%	0.214	S	C	.	.			trans	-72.2	161.3	176.6	74.9	36	0	0	0	111.3	L183 E184 V185	D181-L183 PolarHBondContact O-N 2.87Å; D181-L183 WeakPolarHBondContact OD1-CA 3.44Å; D181-L183 WeakPolarHBondContact OD1-CB 3.46Å; D181-L183 PolarHBondContact OD1-N 3.19Å; D181-E184 PolarHBondContact O-N 2.86Å; D181-E184 WeakPolarHBondContact OD1-CG 3.42Å; D181-E184 PolarHBondContact OD1-N 3.07Å; D181-V185 WeakPolarHBondContact O-CG2 3.36Å; D181-V185 PolarHBondContact O-N 3.04Å
182	G	90.1	Very high	89.6	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-23.7	-177.3	0	0	0	0	0	114.1	L173 D174 L175 A186	L173-G182 WeakPolarHBondContact CD2-O 3.17Å; D174-G182 VanDerWaalsContact O-CA 3.28Å; D174-G182 WeakPolarHBondContact O-CA 3.39Å; L175-G182 PolarHBondContact O-N 2.68Å; G182-A186 WeakPolarHBondContact O-CB 3.48Å; G182-A186 PolarHBondContact O-N 3.44Å
183	L	87.9	Confident	88.9	Confident	22 Å²	22	50.6 Å²	50.6	12%	0.115	25%	0.249	C	C	.	.	H	α-helix	trans	-75	-38	176.9	-64.9	179.7	0	0	0	111.5	L175 D181 R187 M199 L211 L215	L175-L183 HydrophobicContact CD2-CD1 4.38Å; L175-L183 HydrophobicContact CD2-CD2 3.28Å; L175-L183 HydrophobicContact CD2-CG 3.59Å; D181-L183 PolarHBondContact O-N 2.87Å; D181-L183 WeakPolarHBondContact OD1-CA 3.44Å; D181-L183 WeakPolarHBondContact OD1-CB 3.46Å; D181-L183 PolarHBondContact OD1-N 3.19Å; L183-R187 WeakPolarHBondContact O-CB 3.48Å; L183-R187 PolarHBondContact O-N 3.15Å; L183-M199 HydrophobicContact CD2-CE 4.39Å; L183-L211 HydrophobicContact CD1-CD2 3.47Å; L183-L211 VanDerWaalsContact CD1-CD2 3.47Å; L183-L211 HydrophobicContact CD1-CG 3.96Å; L183-L215 HydrophobicContact CB-CD1 3.84Å; L183-L215 HydrophobicContact CD1-CD1 4.17Å; L183-L215 HydrophobicContact CD2-CD1 3.92Å; L183-L215 HydrophobicContact CG-CD1 4.19Å
184	E	90.3	Very high	88.1	Confident	73 Å²	73	58.2 Å²	58.2	34%	0.341	29%	0.285	S	S	.	.	H	α-helix	trans	-64.3	-44	171.6	-71.9	-175.2	-171.2	0	0	111.2	K180 D181 R187 E188	K180-E184 IonicContact NZ-OE2 3.12Å; D181-E184 PolarHBondContact O-N 2.86Å; D181-E184 WeakPolarHBondContact OD1-CG 3.42Å; D181-E184 PolarHBondContact OD1-N 3.07Å; E184-R187 PolarHBondContact O-N 3.03Å; E184-E188 PolarHBondContact O-N 3.48Å
185	V	92.6	Very high	87.7	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-59.3	-51.8	175.2	175	0	0	0	0	110.7	G156 A159 L160 L173 K180 D181 R187 E188 V189	G156-V185 WeakPolarHBondContact O-CG2 3.23Å; A159-V185 HydrophobicContact CB-CG1 4.08Å; L160-V185 HydrophobicContact CD2-CG1 4.14Å; L160-V185 HydrophobicContact CG-CG1 4.42Å; L173-V185 HydrophobicContact CD1-CB 4.25Å; L173-V185 HydrophobicContact CD1-CG1 3.95Å; L173-V185 HydrophobicContact CD2-CB 4.17Å; L173-V185 HydrophobicContact CD2-CG1 4.02Å; K180-V185 HydrophobicContact CB-CG2 4.21Å; D181-V185 WeakPolarHBondContact O-CG2 3.36Å; D181-V185 PolarHBondContact O-N 3.04Å; V185-R187 VanDerWaalsContact C-N 3.3Å; V185-R187 PolarHBondContact O-N 3.41Å; V185-E188 PolarHBondContact O-N 3Å; V185-E188 VanDerWaalsContact O-N 3.08Å; V185-V189 HydrophobicContact CG1-CG2 4.27Å; V185-V189 WeakPolarHBondContact O-CG2 3.41Å; V185-V189 PolarHBondContact O-N 3.21Å
186	A	90.6	Very high	87.6	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-57.1	-44.4	178.5	0	0	0	0	0	111.9	L173 G182 E188 V189 C190 I197	L173-A186 HydrophobicContact CD2-CB 3.96Å; G182-A186 WeakPolarHBondContact O-CB 3.48Å; G182-A186 PolarHBondContact O-N 3.44Å; A186-E188 VanDerWaalsContact C-N 3.29Å; A186-E188 PolarHBondContact O-N 2.69Å; A186-V189 PolarHBondContact O-N 3.24Å; A186-C190 WeakPolarHBondContact O-CB 3.29Å; A186-C190 PolarHBondContact O-N 3.41Å; A186-C190 PolarHBondContact O-SG 3.02Å; A186-I197 HydrophobicContact CB-CD1 4.09Å
187	R	87.9	Confident	87.8	Confident	108 Å²	108	54.3 Å²	54.3	41%	0.408	27%	0.268	S	S	.	.	H	α-helix	trans	-62.9	-34.7	178	-171.3	-172.2	-61.1	120.3	4.7	112.6	L183 E184 V185 K191	L183-R187 WeakPolarHBondContact O-CB 3.48Å; L183-R187 PolarHBondContact O-N 3.15Å; E184-R187 PolarHBondContact O-N 3.03Å; V185-R187 VanDerWaalsContact C-N 3.3Å; V185-R187 PolarHBondContact O-N 3.41Å; R187-K191 WeakPolarHBondContact O-CG 3.4Å
188	E	90.8	Very high	87.7	Confident	65 Å²	65	53.6 Å²	53.6	30%	0.304	26%	0.264	S	S	.	.	H	α-helix	trans	-75.9	-43.7	178.3	-76.3	-179	-151	0	0	111.8	L160 K180 E184 V185 A186 K191	L160-E188 WeakPolarHBondContact CD1-OE2 3.34Å; L160-E188 HydrophobicContact CD2-CB 3.82Å; K180-E188 IonicContact NZ-OE1 3.63Å; K180-E188 PolarHBondContact NZ-OE1 3.49Å; K180-E188 IonicContact NZ-OE2 3.95Å; E184-E188 PolarHBondContact O-N 3.48Å; V185-E188 PolarHBondContact O-N 3Å; V185-E188 VanDerWaalsContact O-N 3.08Å; A186-E188 VanDerWaalsContact C-N 3.29Å; A186-E188 PolarHBondContact O-N 2.69Å; E188-K191 WeakPolarHBondContact O-CB 3.46Å; E188-K191 PolarHBondContact O-N 2.9Å
189	V	90	Very high	87.6	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.018	25%	0.245	C	C	.	.	H	α-helix	trans	-60.4	-47.9	175.9	174.8	0	0	0	0	111	L160 V163 I171 V185 A186 K191 T192 H193 M195 I197	L160-V189 HydrophobicContact CD2-CG2 3.93Å; V163-V189 HydrophobicContact CG1-CG2 4.38Å; V163-V189 HydrophobicContact CG2-CG2 4.09Å; I171-V189 HydrophobicContact CD1-CG1 3.85Å; I171-V189 HydrophobicContact CD1-CG2 4.05Å; V185-V189 HydrophobicContact CG1-CG2 4.27Å; V185-V189 WeakPolarHBondContact O-CG2 3.41Å; V185-V189 PolarHBondContact O-N 3.21Å; A186-V189 PolarHBondContact O-N 3.24Å; V189-K191 PolarHBondContact O-N 3.16Å; V189-T192 PolarHBondContact O-N 2.73Å; V189-H193 HydrophobicContact CG1-CB 4.05Å; V189-H193 PolarHBondContact O-N 2.82Å; V189-M195 HydrophobicContact CG1-SD 3.42Å; V189-M195 WeakPolarHBondContact CG1-SD 3.31Å; V189-I197 HydrophobicContact CB-CD1 4Å; V189-I197 HydrophobicContact CG1-CD1 3.91Å
190	C	85.2	Confident	87.3	Confident	57 Å²	57	44.6 Å²	44.6	39%	0.385	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-6.6	-179	-66.3	0	0	0	0	114.7	A186	A186-C190 WeakPolarHBondContact O-CB 3.29Å; A186-C190 PolarHBondContact O-N 3.41Å; A186-C190 PolarHBondContact O-SG 3.02Å
191	K	82.7	Confident	86.8	Confident	147 Å²	147	42.5 Å²	42.5	64%	0.639	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-26	172	-74.4	167.4	-171.1	171.2	0	112.8	R187 E188 V189	R187-K191 WeakPolarHBondContact O-CG 3.4Å; E188-K191 WeakPolarHBondContact O-CB 3.46Å; E188-K191 PolarHBondContact O-N 2.9Å; V189-K191 PolarHBondContact O-N 3.16Å
192	T	78.4	Confident	86.2	Confident	99 Å²	99	42.5 Å²	42.5	61%	0.607	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129	-11.4	-169.3	49	0	0	0	0	113.2	V189	V189-T192 PolarHBondContact O-N 2.73Å
193	H	80	Confident	84.9	Confident	37 Å²	37	47.2 Å²	47.2	17%	0.171	24%	0.24	C	C	.	.			trans	-139	153.1	-176.8	-53.4	83.2	0	0	0	112.1	E164 V189 M195	E164-H193 IonicContact OE1-CE1 3.93Å; E164-H193 PolarHBondContact OE1-CE1 3.43Å; V189-H193 HydrophobicContact CG1-CB 4.05Å; V189-H193 PolarHBondContact O-N 2.82Å; H193-M195 HydrophobicContact CB-CE 3.35Å; H193-M195 HydrophobicContact CB-SD 3.34Å; H193-M195 WeakPolarHBondContact CB-SD 3.49Å; H193-M195 VanDerWaalsContact CD2-CE 3.42Å; H193-M195 WeakPolarHBondContact CD2-CE 3.46Å
194	E	76.5	Confident	83.5	Confident	161 Å²	161	52.1 Å²	52.1	75%	0.752	27%	0.266	S	S	*	.			trans	-110.6	4.4	-178.6	-55.9	-167.8	150	0	0	113.5
195	M	84	Confident	82	Confident	21 Å²	21	50.7 Å²	50.7	10%	0.103	26%	0.264	C	S	.	.			trans	-65.8	145.7	-177.2	77.6	-75.4	-69.8	0	0	111.1	V163 P168 I171 V189 H193 I197	V163-M195 HydrophobicContact CG1-CE 4.39Å; P168-M195 HydrophobicContact CG-CE 4.23Å; P168-M195 WeakPolarHBondContact O-CB 3.27Å; P168-M195 WeakPolarHBondContact O-CE 3.33Å; I171-M195 HydrophobicContact CD1-CG 4.36Å; I171-M195 HydrophobicContact CD1-SD 4.18Å; I171-M195 HydrophobicContact CG1-CG 4.19Å; V189-M195 HydrophobicContact CG1-SD 3.42Å; V189-M195 WeakPolarHBondContact CG1-SD 3.31Å; H193-M195 HydrophobicContact CB-CE 3.35Å; H193-M195 HydrophobicContact CB-SD 3.34Å; H193-M195 WeakPolarHBondContact CB-SD 3.49Å; H193-M195 VanDerWaalsContact CD2-CE 3.42Å; H193-M195 WeakPolarHBondContact CD2-CE 3.46Å; M195-I197 PolarHBondContact O-N 3.37Å
196	P	85.5	Confident	80.4	Confident	24 Å²	24	56.2 Å²	56.2	16%	0.156	29%	0.29	C	S	.	.			trans	-59.6	135.9	178.4	-26.3	32.9	0	0	0	113.6	D169 L170 I171 D218 N237	D169-P196 WeakPolarHBondContact O-CD 3.31Å; L170-P196 WeakPolarHBondContact CA-O 3.39Å; L170-P196 HydrophobicContact CD1-CB 4.18Å; L170-P196 HydrophobicContact CG-CB 4.46Å; I171-P196 PolarHBondContact N-O 2.77Å; P196-D218 WeakPolarHBondContact CA-OD2 3.09Å; P196-D218 HydrophobicContact CB-CB 4.35Å; P196-N237 HydrophobicContact CB-CB 3.89Å; P196-N237 HydrophobicContact CG-CB 4.27Å
197	I	90.6	Very high	78.8	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	120.5	171.3	-55.1	-178.7	0	0	0	109.2	I171 L173 A186 V189 M195 M199 A217 D218 D219	I171-I197 HydrophobicContact CB-CG1 4.35Å; I171-I197 HydrophobicContact CD1-CG1 4.41Å; L173-I197 HydrophobicContact CB-CG2 4.02Å; L173-I197 HydrophobicContact CD2-CG2 3.87Å; A186-I197 HydrophobicContact CB-CD1 4.09Å; V189-I197 HydrophobicContact CB-CD1 4Å; V189-I197 HydrophobicContact CG1-CD1 3.91Å; M195-I197 PolarHBondContact O-N 3.37Å; I197-M199 HydrophobicContact CG2-SD 3.82Å; I197-A217 CarbonylContact O-C 3.45Å; I197-A217 WeakPolarHBondContact O-CA 3.24Å; I197-A217 WeakPolarHBondContact O-CB 3.27Å; I197-D218 PolarHBondContact N-OD2 3.33Å; I197-D218 PolarHBondContact O-N 2.89Å; I197-D219 PolarHBondContact O-N 3.41Å
198	I	90.2	Very high	77.6	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	116.1	172.2	-50	-173.8	0	0	0	108.3	L170 I171 L172 L173 V200 D219 V221 R233 V234 N237	L170-I198 HydrophobicContact CD1-CD1 3.86Å; L170-I198 HydrophobicContact CD1-CG1 4.15Å; L170-I198 HydrophobicContact CD2-CD1 4.38Å; L170-I198 HydrophobicContact CD2-CG1 4.49Å; I171-I198 PolarHBondContact O-N 3.36Å; L172-I198 WeakPolarHBondContact CA-O 3.48Å; L172-I198 HydrophobicContact CD2-CB 3.64Å; L172-I198 HydrophobicContact CD2-CD1 3.89Å; L172-I198 HydrophobicContact CD2-CG1 4.08Å; L172-I198 HydrophobicContact CD2-CG2 4.13Å; L173-I198 PolarHBondContact N-O 2.89Å; I198-V200 HydrophobicContact CG2-CG2 4.31Å; I198-D219 WeakPolarHBondContact CA-O 3.44Å; I198-D219 HydrophobicContact CB-CB 4.39Å; I198-D219 HydrophobicContact CG1-CB 4.07Å; I198-D219 HydrophobicContact CG2-CB 4.06Å; I198-V221 HydrophobicContact CG2-CG2 3.65Å; I198-R233 HydrophobicContact CD1-CB 4.14Å; I198-V234 HydrophobicContact CD1-CG2 4.21Å; I198-N237 HydrophobicContact CD1-CB 4.28Å; I198-N237 WeakPolarHBondContact CD1-ND2 3.19Å
199	M	89.6	Confident	76.3	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	131.8	174.8	-56.8	-50.4	-73.4	0	0	110.2	L173 L175 L183 I197 A217 D219 Y220 V221	L173-M199 HydrophobicContact CB-CE 4.34Å; L173-M199 HydrophobicContact CB-SD 4.03Å; L173-M199 HydrophobicContact CD2-CE 4.03Å; L173-M199 HydrophobicContact CD2-SD 3.95Å; L173-M199 HydrophobicContact CG-CE 4.01Å; L173-M199 HydrophobicContact CG-SD 4.18Å; L173-M199 CarbonylContact O-C 3.59Å; L173-M199 VanDerWaalsContact O-CA 3.3Å; L173-M199 WeakPolarHBondContact O-CA 3.44Å; L175-M199 HydrophobicContact CD2-CE 3.17Å; L175-M199 HydrophobicContact CG-CE 3.82Å; L183-M199 HydrophobicContact CD2-CE 4.39Å; I197-M199 HydrophobicContact CG2-SD 3.82Å; M199-A217 HydrophobicContact CG-CB 3.47Å; M199-A217 VanDerWaalsContact CG-CB 3.47Å; M199-A217 HydrophobicContact SD-CB 3.95Å; M199-D219 PolarHBondContact N-O 2.95Å; M199-Y220 HydrophobicContact CB-CD2 3.52Å; M199-Y220 HydrophobicContact CB-CE2 4.09Å; M199-Y220 HydrophobicContact CB-CG 4.26Å; M199-Y220 HydrophobicContact CG-CD2 4.3Å; M199-Y220 CarbonylContact O-C 2.89Å; M199-Y220 WeakPolarHBondContact O-CA 3.33Å; M199-V221 PolarHBondContact O-N 2.92Å
200	V	88.3	Confident	74.9	Confident	7 Å²	7	59.2 Å²	59.2	4%	0.042	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	100.6	-177.8	-175.5	0	0	0	0	109.9	L172 L173 D174 I198 V221 K223 F225 L230	L172-V200 HydrophobicContact CB-CG2 4.13Å; L172-V200 HydrophobicContact CD2-CG2 4.18Å; L173-V200 PolarHBondContact O-N 2.74Å; D174-V200 VanDerWaalsContact CA-O 3.26Å; D174-V200 WeakPolarHBondContact CA-O 3.36Å; I198-V200 HydrophobicContact CG2-CG2 4.31Å; V200-V221 WeakPolarHBondContact CA-O 3.34Å; V200-V221 HydrophobicContact CG2-CB 4.34Å; V200-K223 HydrophobicContact CG1-CG 4.25Å; V200-K223 WeakPolarHBondContact O-CE 3.41Å; V200-F225 HydrophobicContact CG1-CD1 3.92Å; V200-F225 HydrophobicContact CG1-CE1 3.23Å; V200-F225 HydrophobicContact CG1-CZ 3.96Å; V200-L230 HydrophobicContact CG2-CD1 4.38Å
201	T	82.2	Confident	74	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	157.5	-168.9	-168.9	0	0	0	0	114	D174 L175 Y220 V221 T222 K223	D174-T201 VanDerWaalsContact OD1-CB 3.24Å; D174-T201 WeakPolarHBondContact OD1-CB 3.42Å; D174-T201 PolarHBondContact OD1-OG1 2.97Å; L175-T201 HydrophobicContact CB-CG2 4.4Å; L175-T201 HydrophobicContact CD1-CG2 3.45Å; L175-T201 VanDerWaalsContact CD1-CG2 3.45Å; L175-T201 HydrophobicContact CG-CG2 3.86Å; T201-Y220 HydrophobicContact CG2-CE1 4.44Å; T201-Y220 HydrophobicContact CG2-CE2 3.5Å; T201-Y220 VanDerWaalsContact CG2-CE2 3.5Å; T201-Y220 WeakPolarHBondContact CG2-OH 3.46Å; T201-V221 PolarHBondContact N-O 3.12Å; T201-V221 VanDerWaalsContact N-O 3.07Å; T201-T222 CarbonylContact O-C 3.54Å; T201-T222 WeakPolarHBondContact O-CA 3.33Å; T201-K223 PolarHBondContact O-N 2.97Å
202	A	77.3	Confident	73	Confident	65 Å²	65	52.6 Å²	52.6	54%	0.537	28%	0.282	S	S	.	.	S	Bend	trans	-78.6	-21	-178.7	0	0	0	0	0	113.8	D204 K223	A202-D204 PolarHBondContact O-N 2.99Å; A202-K223 HydrophobicContact CB-CB 4.31Å; A202-K223 HydrophobicContact CB-CD 4.47Å
203	K	61.7	Low	72.6	Confident	98 Å²	98	48.1 Å²	48.1	43%	0.426	25%	0.254	S	S	.	.			trans	-79.6	103.3	-175.5	-86.3	-172.8	175.3	178.9	0	111.7	S205 D208 Y220	K203-S205 PolarHBondContact O-N 3.12Å; K203-D208 WeakPolarHBondContact CD-OD2 3.16Å; K203-Y220 PolarHBondContact O-OH 3.45Å
204	D	58.3	Low	72.1	Confident	126 Å²	126	49.9 Å²	49.9	67%	0.674	26%	0.262	S	S	*	.			trans	-72.2	-0.2	169.8	59.8	-17.3	0	0	0	114.4	A202 E206	A202-D204 PolarHBondContact O-N 2.99Å; D204-E206 PolarHBondContact O-N 3.32Å
205	S	58.9	Low	71.7	Confident	42 Å²	42	44.2 Å²	44.2	29%	0.294	24%	0.237	S	C	.	.			trans	-46.8	111.7	170.7	150.3	0	0	0	0	110	K203 I207 D208 K209	K203-S205 PolarHBondContact O-N 3.12Å; S205-I207 PolarHBondContact O-N 3.42Å; S205-I207 VanDerWaalsContact O-N 3.08Å; S205-D208 WeakPolarHBondContact CB-OD2 3.44Å; S205-D208 PolarHBondContact O-N 3Å; S205-D208 VanDerWaalsContact OG-CG 3.25Å; S205-D208 PolarHBondContact OG-N 2.97Å; S205-D208 PolarHBondContact OG-OD2 3.31Å; S205-K209 PolarHBondContact O-N 3.47Å
206	E	59.3	Low	70.9	Confident	117 Å²	117	43.7 Å²	43.7	55%	0.547	24%	0.237	S	C	.	.	H	α-helix	trans	-55.7	-29.6	-176	-164.7	-176.2	158.1	0	0	112.2	D204 V210 R317	D204-E206 PolarHBondContact O-N 3.32Å; E206-V210 WeakPolarHBondContact O-CG2 3.12Å; E206-V210 PolarHBondContact O-N 3.24Å; E206-R317 VanDerWaalsContact CD-NH2 3.27Å; E206-R317 IonicContact OE1-CZ 3.91Å; E206-R317 IonicContact OE1-NH1 2.8Å; E206-R317 PolarHBondContact OE1-NH1 3.27Å; E206-R317 IonicContact OE1-NH2 2.97Å; E206-R317 PolarHBondContact OE1-NH2 3.13Å
207	I	56.9	Low	70.1	Confident	129 Å²	129	42.6 Å²	42.6	66%	0.662	23%	0.23	S	C	*	.	H	α-helix	trans	-67.2	-44	177.2	-61.4	171.3	0	0	0	110.8	S205 K209 V210 L211	S205-I207 PolarHBondContact O-N 3.42Å; S205-I207 VanDerWaalsContact O-N 3.08Å; I207-K209 VanDerWaalsContact C-N 3.35Å; I207-K209 PolarHBondContact O-N 2.97Å; I207-V210 PolarHBondContact O-N 3.14Å; I207-L211 WeakPolarHBondContact O-CB 3.35Å; I207-L211 PolarHBondContact O-N 2.85Å
208	D	62.8	Low	69.4	Low	31 Å²	31	44 Å²	44	17%	0.166	24%	0.238	C	C	.	.	H	α-helix	trans	-70.5	-34.3	-175.9	-63.9	-39.1	0	0	0	111.5	L175 K203 S205 L211 G212	L175-D208 HydrophobicContact CD1-CB 3.98Å; K203-D208 WeakPolarHBondContact CD-OD2 3.16Å; S205-D208 WeakPolarHBondContact CB-OD2 3.44Å; S205-D208 PolarHBondContact O-N 3Å; S205-D208 VanDerWaalsContact OG-CG 3.25Å; S205-D208 PolarHBondContact OG-N 2.97Å; S205-D208 PolarHBondContact OG-OD2 3.31Å; D208-L211 PolarHBondContact O-N 3.02Å; D208-G212 PolarHBondContact O-N 3.34Å
209	K	63.7	Low	68.9	Low	42 Å²	42	44.1 Å²	44.1	18%	0.183	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-48.8	173.2	-68.1	-176.1	179.2	-178.3	0	111.8	S205 I207 L213 Y220	S205-K209 PolarHBondContact O-N 3.47Å; I207-K209 VanDerWaalsContact C-N 3.35Å; I207-K209 PolarHBondContact O-N 2.97Å; K209-L213 WeakPolarHBondContact O-CG 3.33Å; K209-L213 PolarHBondContact O-N 3.49Å; K209-L213 VanDerWaalsContact O-N 3.15Å; K209-Y220 HydrophobicContact CB-CE2 4.49Å; K209-Y220 HydrophobicContact CD-CD1 4.35Å; K209-Y220 HydrophobicContact CD-CE1 4.09Å; K209-Y220 HydrophobicContact CG-CD1 4.06Å; K209-Y220 HydrophobicContact CG-CD2 4.26Å; K209-Y220 HydrophobicContact CG-CE1 3.72Å; K209-Y220 HydrophobicContact CG-CE2 3.9Å; K209-Y220 HydrophobicContact CG-CG 4.34Å
210	V	61.9	Low	68.6	Low	39 Å²	39	45 Å²	45	24%	0.236	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-43.9	179.1	174.7	0	0	0	0	109.8	E206 I207 G212 L213 E214	E206-V210 WeakPolarHBondContact O-CG2 3.12Å; E206-V210 PolarHBondContact O-N 3.24Å; I207-V210 PolarHBondContact O-N 3.14Å; V210-G212 PolarHBondContact O-N 2.81Å; V210-L213 PolarHBondContact O-N 3.49Å; V210-E214 HydrophobicContact CG1-CG 4.06Å; V210-E214 VanDerWaalsContact O-CB 3.3Å; V210-E214 WeakPolarHBondContact O-CB 3.32Å; V210-E214 VanDerWaalsContact O-CG 3.26Å; V210-E214 WeakPolarHBondContact O-CG 3.27Å; V210-E214 PolarHBondContact O-N 3.11Å
211	L	65.1	Low	68.4	Low	64 Å²	64	44.6 Å²	44.6	34%	0.335	24%	0.239	S	C	.	.	H	α-helix	trans	-64.5	-41.5	-178.9	-170.7	64.5	0	0	0	112.7	L183 I207 D208 E214 L215	L183-L211 HydrophobicContact CD1-CD2 3.47Å; L183-L211 VanDerWaalsContact CD1-CD2 3.47Å; L183-L211 HydrophobicContact CD1-CG 3.96Å; I207-L211 WeakPolarHBondContact O-CB 3.35Å; I207-L211 PolarHBondContact O-N 2.85Å; D208-L211 PolarHBondContact O-N 3.02Å; L211-E214 PolarHBondContact O-N 2.97Å; L211-L215 HydrophobicContact CD1-CD1 4.12Å; L211-L215 HydrophobicContact CD1-CG 4.4Å; L211-L215 HydrophobicContact CG-CD1 3.95Å; L211-L215 WeakPolarHBondContact O-CB 3.42Å; L211-L215 VanDerWaalsContact O-CG 3.32Å; L211-L215 WeakPolarHBondContact O-CG 3.4Å; L211-L215 PolarHBondContact O-N 2.97Å
212	G	62.5	Low	68.4	Low	1 Å²	1	46.9 Å²	46.9	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-47.5	175.9	0	0	0	0	0	112.4	D208 V210 E214 L215 G216 A217	D208-G212 PolarHBondContact O-N 3.34Å; V210-G212 PolarHBondContact O-N 2.81Å; G212-E214 VanDerWaalsContact C-N 3.34Å; G212-E214 PolarHBondContact O-N 2.71Å; G212-L215 PolarHBondContact O-N 2.95Å; G212-G216 PolarHBondContact O-N 3.49Å; G212-A217 WeakPolarHBondContact O-CB 3.39Å; G212-A217 PolarHBondContact O-N 3.4Å
213	L	69.7	Low	68.8	Low	5 Å²	5	45 Å²	45	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-66.3	-34	175.6	-69.6	173.3	0	0	0	112.2	K209 V210 A217 T318 V321 R325	K209-L213 WeakPolarHBondContact O-CG 3.33Å; K209-L213 PolarHBondContact O-N 3.49Å; K209-L213 VanDerWaalsContact O-N 3.15Å; V210-L213 PolarHBondContact O-N 3.49Å; L213-A217 WeakPolarHBondContact CD2-O 3.43Å; L213-T318 HydrophobicContact CD2-CG2 4.34Å; L213-V321 HydrophobicContact CB-CB 4.23Å; L213-V321 HydrophobicContact CB-CG1 4.02Å; L213-V321 HydrophobicContact CB-CG2 3.93Å; L213-V321 HydrophobicContact CD1-CG2 4.31Å; L213-V321 WeakPolarHBondContact O-CG1 3.45Å; L213-R325 PolarHBondContact O-NE 3.07Å; L213-R325 PolarHBondContact O-NH1 2.8Å; L213-R325 PolarHBondContact O-NH2 3.47Å
214	E	69.5	Low	69.8	Low	73 Å²	73	46.6 Å²	46.6	34%	0.341	25%	0.253	S	S	.	.	H	α-helix	trans	-69.4	-35.1	176.5	-79.5	-176.7	164.4	0	0	111.5	V210 L211 G212 V321 R324 R325	V210-E214 HydrophobicContact CG1-CG 4.06Å; V210-E214 VanDerWaalsContact O-CB 3.3Å; V210-E214 WeakPolarHBondContact O-CB 3.32Å; V210-E214 VanDerWaalsContact O-CG 3.26Å; V210-E214 WeakPolarHBondContact O-CG 3.27Å; V210-E214 PolarHBondContact O-N 3.11Å; L211-E214 PolarHBondContact O-N 2.97Å; G212-E214 VanDerWaalsContact C-N 3.34Å; G212-E214 PolarHBondContact O-N 2.71Å; E214-V321 HydrophobicContact CG-CG1 4.48Å; E214-R324 IonicContact OE1-CZ 3.74Å; E214-R324 IonicContact OE1-NH1 2.87Å; E214-R324 PolarHBondContact OE1-NH1 3.1Å; E214-R325 PolarHBondContact O-NH2 3.03Å
215	L	67.9	Low	71	Confident	42 Å²	42	42.4 Å²	42.4	22%	0.22	23%	0.229	C	C	.	.	H	α-helix	trans	-83.1	-13.4	-174	-78.8	174	0	0	0	116.1	L183 L211 G212	L183-L215 HydrophobicContact CB-CD1 3.84Å; L183-L215 HydrophobicContact CD1-CD1 4.17Å; L183-L215 HydrophobicContact CD2-CD1 3.92Å; L183-L215 HydrophobicContact CG-CD1 4.19Å; L211-L215 HydrophobicContact CD1-CD1 4.12Å; L211-L215 HydrophobicContact CD1-CG 4.4Å; L211-L215 HydrophobicContact CG-CD1 3.95Å; L211-L215 WeakPolarHBondContact O-CB 3.42Å; L211-L215 VanDerWaalsContact O-CG 3.32Å; L211-L215 WeakPolarHBondContact O-CG 3.4Å; L211-L215 PolarHBondContact O-N 2.97Å; G212-L215 PolarHBondContact O-N 2.95Å
216	G	66.4	Low	72.2	Confident	10 Å²	10	43.3 Å²	43.3	10%	0.103	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	162.6	-37.5	172.7	0	0	0	0	0	112.6	G212 D218 R325	G212-G216 PolarHBondContact O-N 3.49Å; G216-D218 PolarHBondContact O-N 3.49Å; G216-R325 PolarHBondContact O-NH1 3.02Å
217	A	68.8	Low	73.3	Confident	2 Å²	2	40.8 Å²	40.8	2%	0.017	23%	0.226	C	C	.	.			trans	-56.4	135.7	-168.2	0	0	0	0	0	113.7	I197 M199 G212 L213	I197-A217 CarbonylContact O-C 3.45Å; I197-A217 WeakPolarHBondContact O-CA 3.24Å; I197-A217 WeakPolarHBondContact O-CB 3.27Å; M199-A217 HydrophobicContact CG-CB 3.47Å; M199-A217 VanDerWaalsContact CG-CB 3.47Å; M199-A217 HydrophobicContact SD-CB 3.95Å; G212-A217 WeakPolarHBondContact O-CB 3.39Å; G212-A217 PolarHBondContact O-N 3.4Å; L213-A217 WeakPolarHBondContact CD2-O 3.43Å
218	D	76.4	Confident	74.4	Confident	30 Å²	30	45.1 Å²	45.1	16%	0.16	23%	0.234	C	C	.	.	S	Bend	trans	-83.3	-23.9	179.3	-56.8	-92.2	0	0	0	111.8	P196 I197 G216 T318	P196-D218 WeakPolarHBondContact CA-OD2 3.09Å; P196-D218 HydrophobicContact CB-CB 4.35Å; I197-D218 PolarHBondContact N-OD2 3.33Å; I197-D218 PolarHBondContact O-N 2.89Å; G216-D218 PolarHBondContact O-N 3.49Å; D218-T318 VanDerWaalsContact O-CG2 3.27Å; D218-T318 WeakPolarHBondContact O-CG2 3.42Å
219	D	80.6	Confident	75.3	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	166.5	-179	-164.8	13	0	0	0	111.9	I197 I198 M199 R233 Y312	I197-D219 PolarHBondContact O-N 3.41Å; I198-D219 WeakPolarHBondContact CA-O 3.44Å; I198-D219 HydrophobicContact CB-CB 4.39Å; I198-D219 HydrophobicContact CG1-CB 4.07Å; I198-D219 HydrophobicContact CG2-CB 4.06Å; M199-D219 PolarHBondContact N-O 2.95Å; D219-R233 VanDerWaalsContact CG-NH1 3.28Å; D219-R233 IonicContact OD1-NH1 2.74Å; D219-R233 PolarHBondContact OD1-NH1 3.47Å; D219-R233 WeakPolarHBondContact OD2-CD 3.25Å; D219-R233 WeakPolarHBondContact OD2-CG 3.26Å; D219-R233 IonicContact OD2-CZ 2.73Å; D219-R233 IonicContact OD2-NH1 2.97Å; D219-R233 PolarHBondContact OD2-NH1 2.87Å; D219-Y312 PolarHBondContact OD1-OH 3.4Å; D219-Y312 WeakPolarHBondContact OD2-CE2 3.33Å; D219-Y312 PolarHBondContact OD2-OH 2.96Å
220	Y	83.6	Confident	76.3	Confident	18 Å²	18	43.8 Å²	43.8	7%	0.071	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	140	179.3	-177.5	-74.2	0	0	0	110.7	L175 M199 T201 K203 K209 T222 R233	L175-Y220 HydrophobicContact CD1-CE2 4.34Å; M199-Y220 HydrophobicContact CB-CD2 3.52Å; M199-Y220 HydrophobicContact CB-CE2 4.09Å; M199-Y220 HydrophobicContact CB-CG 4.26Å; M199-Y220 HydrophobicContact CG-CD2 4.3Å; M199-Y220 CarbonylContact O-C 2.89Å; M199-Y220 WeakPolarHBondContact O-CA 3.33Å; T201-Y220 HydrophobicContact CG2-CE1 4.44Å; T201-Y220 HydrophobicContact CG2-CE2 3.5Å; T201-Y220 VanDerWaalsContact CG2-CE2 3.5Å; T201-Y220 WeakPolarHBondContact CG2-OH 3.46Å; K203-Y220 PolarHBondContact O-OH 3.45Å; K209-Y220 HydrophobicContact CB-CE2 4.49Å; K209-Y220 HydrophobicContact CD-CD1 4.35Å; K209-Y220 HydrophobicContact CD-CE1 4.09Å; K209-Y220 HydrophobicContact CG-CD1 4.06Å; K209-Y220 HydrophobicContact CG-CD2 4.26Å; K209-Y220 HydrophobicContact CG-CE1 3.72Å; K209-Y220 HydrophobicContact CG-CE2 3.9Å; K209-Y220 HydrophobicContact CG-CG 4.34Å; Y220-T222 HydrophobicContact CE1-CG2 3.62Å; Y220-R233 PolarHBondContact O-NH1 3.37Å
221	V	83.6	Confident	77.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	126.8	178.3	-174.2	0	0	0	0	110.1	I198 M199 V200 T201 F225 L230	I198-V221 HydrophobicContact CG2-CG2 3.65Å; M199-V221 PolarHBondContact O-N 2.92Å; V200-V221 WeakPolarHBondContact CA-O 3.34Å; V200-V221 HydrophobicContact CG2-CB 4.34Å; T201-V221 PolarHBondContact N-O 3.12Å; T201-V221 VanDerWaalsContact N-O 3.07Å; V221-F225 HydrophobicContact CG1-CB 3.55Å; V221-F225 HydrophobicContact CG1-CD1 3.71Å; V221-F225 HydrophobicContact CG1-CG 3.76Å; V221-L230 HydrophobicContact CG2-CD1 4.31Å
222	T	82.6	Confident	77.8	Confident	49 Å²	49	40.6 Å²	40.6	30%	0.301	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	137.9	172.8	48.2	0	0	0	0	111.4	T201 Y220 P224	T201-T222 CarbonylContact O-C 3.54Å; T201-T222 WeakPolarHBondContact O-CA 3.33Å; Y220-T222 HydrophobicContact CE1-CG2 3.62Å; T222-P224 CarbonylContact O-C 3.59Å
223	K	84.2	Confident	78.8	Confident	26 Å²	26	41 Å²	41	11%	0.113	21%	0.214	C	C	.	.	S	Bend	trans	-79.5	141.5	163.8	-63.7	171.3	179.5	180	0	110.1	D130 I135 D174 V200 T201 A202 F225	D130-K223 VanDerWaalsContact CG-NZ 3.26Å; D130-K223 IonicContact OD1-NZ 3.24Å; D130-K223 PolarHBondContact OD1-NZ 2.81Å; D130-K223 WeakPolarHBondContact OD2-CE 3.44Å; D130-K223 IonicContact OD2-NZ 2.65Å; D130-K223 PolarHBondContact OD2-NZ 2.93Å; I135-K223 HydrophobicContact CD1-CD 4.17Å; D174-K223 IonicContact OD2-NZ 2.67Å; D174-K223 PolarHBondContact OD2-NZ 2.8Å; V200-K223 HydrophobicContact CG1-CG 4.25Å; V200-K223 WeakPolarHBondContact O-CE 3.41Å; T201-K223 PolarHBondContact O-N 2.97Å; A202-K223 HydrophobicContact CB-CB 4.31Å; A202-K223 HydrophobicContact CB-CD 4.47Å; K223-F225 HydrophobicContact CG-CD1 4.03Å; K223-F225 HydrophobicContact CG-CE1 3.76Å
224	P	84.4	Confident	79.6	Confident	131 Å²	131	41 Å²	41	85%	0.851	21%	0.214	S	C	*	.	S	Bend	cis	-76.8	142.1	-8.2	32.8	-33.8	0	0	0	111.5	T222	T222-P224 CarbonylContact O-C 3.59Å
225	F	83.2	Confident	80	Confident	38 Å²	38	42.1 Å²	42.1	17%	0.167	22%	0.217	C	C	.	.			trans	-116.5	161.8	176.2	50	-97.1	0	0	0	111.1	V139 V200 V221 K223 L230	V139-F225 HydrophobicContact CG2-CE2 4.06Å; V139-F225 HydrophobicContact CG2-CZ 3.79Å; V200-F225 HydrophobicContact CG1-CD1 3.92Å; V200-F225 HydrophobicContact CG1-CE1 3.23Å; V200-F225 HydrophobicContact CG1-CZ 3.96Å; V221-F225 HydrophobicContact CG1-CB 3.55Å; V221-F225 HydrophobicContact CG1-CD1 3.71Å; V221-F225 HydrophobicContact CG1-CG 3.76Å; K223-F225 HydrophobicContact CG-CD1 4.03Å; K223-F225 HydrophobicContact CG-CE1 3.76Å; F225-L230 HydrophobicContact CD2-CB 3.95Å; F225-L230 HydrophobicContact CD2-CD2 4.12Å; F225-L230 HydrophobicContact CE2-CB 4.18Å; F225-L230 HydrophobicContact CE2-CD2 3.5Å; F225-L230 VanDerWaalsContact CE2-CD2 3.5Å; F225-L230 HydrophobicContact CE2-CG 4.38Å; F225-L230 HydrophobicContact CZ-CD2 3.95Å
226	S	82.8	Confident	80.3	Confident	61 Å²	61	40.6 Å²	40.6	43%	0.427	21%	0.211	S	C	.	.			trans	-85	143.4	169.9	81	0	0	0	0	110.8	R228 E229 L230	S226-R228 PolarHBondContact O-N 3.22Å; S226-E229 WeakPolarHBondContact O-CB 3.22Å; S226-E229 PolarHBondContact O-N 3.19Å; S226-E229 VanDerWaalsContact O-N 3.08Å; S226-E229 VanDerWaalsContact OG-CB 3.22Å; S226-E229 WeakPolarHBondContact OG-CB 3.45Å; S226-E229 PolarHBondContact OG-N 3.48Å; S226-L230 PolarHBondContact O-N 3.37Å
227	N	83.5	Confident	81	Confident	65 Å²	65	41.3 Å²	41.3	35%	0.348	21%	0.212	S	C	.	.	H	α-helix	trans	-57.9	-34.1	176.2	-63.6	-12.8	0	0	0	112.1	N142 V231	N142-N227 PolarHBondContact ND2-ND2 2.89Å; N142-N227 PolarHBondContact OD1-ND2 2.82Å; N142-N227 VanDerWaalsContact OD1-ND2 3.13Å; N227-V231 WeakPolarHBondContact O-CB 3.06Å; N227-V231 WeakPolarHBondContact O-CG2 3.3Å; N227-V231 PolarHBondContact O-N 3.31Å
228	R	78.5	Confident	81.4	Confident	220 Å²	220	42.2 Å²	42.2	83%	0.83	22%	0.217	S	C	*	.	H	α-helix	trans	-64.9	-42.6	177.1	-72.8	-176.4	174.8	-178.5	-2.2	111.8	S226 A232	S226-R228 PolarHBondContact O-N 3.22Å; R228-A232 WeakPolarHBondContact O-CB 3.42Å; R228-A232 PolarHBondContact O-N 2.92Å
229	E	82.9	Confident	81	Confident	39 Å²	39	46 Å²	46	18%	0.182	23%	0.229	C	C	.	.	H	α-helix	trans	-62.3	-49.4	176.2	-175	-169.5	163.5	0	0	111	S226 V231 A232 R233 F313	S226-E229 WeakPolarHBondContact O-CB 3.22Å; S226-E229 PolarHBondContact O-N 3.19Å; S226-E229 VanDerWaalsContact O-N 3.08Å; S226-E229 VanDerWaalsContact OG-CB 3.22Å; S226-E229 WeakPolarHBondContact OG-CB 3.45Å; S226-E229 PolarHBondContact OG-N 3.48Å; E229-V231 PolarHBondContact O-N 3.41Å; E229-A232 WeakPolarHBondContact O-CB 3.41Å; E229-A232 PolarHBondContact O-N 2.79Å; E229-R233 WeakPolarHBondContact O-CG 3.37Å; E229-R233 PolarHBondContact O-N 3.34Å; E229-R233 IonicContact OE1-CZ 3.97Å; E229-R233 IonicContact OE1-NE 2.71Å; E229-R233 PolarHBondContact OE1-NE 3.22Å; E229-R233 VanDerWaalsContact OE1-NE 3.11Å; E229-R233 IonicContact OE1-NH2 2.69Å; E229-R233 PolarHBondContact OE1-NH2 3.35Å; E229-F313 HydrophobicContact CG-CB 3.79Å; E229-F313 HydrophobicContact CG-CD2 4.39Å; E229-F313 HydrophobicContact CG-CG 4.24Å
230	L	85.3	Confident	79.9	Confident	5 Å²	5	50 Å²	50	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-44.4	-179.5	-176.8	63.4	0	0	0	111.6	V139 L172 V200 V221 F225 S226 A232 R233 V234	V139-L230 HydrophobicContact CB-CD2 4.39Å; V139-L230 HydrophobicContact CG1-CD2 3.65Å; V139-L230 HydrophobicContact CG2-CD2 3.88Å; L172-L230 HydrophobicContact CD1-CD1 3.97Å; L172-L230 HydrophobicContact CD1-CD2 3.87Å; L172-L230 HydrophobicContact CD1-CG 4.18Å; L172-L230 HydrophobicContact CD2-CD1 3.97Å; V200-L230 HydrophobicContact CG2-CD1 4.38Å; V221-L230 HydrophobicContact CG2-CD1 4.31Å; F225-L230 HydrophobicContact CD2-CB 3.95Å; F225-L230 HydrophobicContact CD2-CD2 4.12Å; F225-L230 HydrophobicContact CE2-CB 4.18Å; F225-L230 HydrophobicContact CE2-CD2 3.5Å; F225-L230 VanDerWaalsContact CE2-CD2 3.5Å; F225-L230 HydrophobicContact CE2-CG 4.38Å; F225-L230 HydrophobicContact CZ-CD2 3.95Å; S226-L230 PolarHBondContact O-N 3.37Å; L230-A232 VanDerWaalsContact C-N 3.33Å; L230-A232 PolarHBondContact O-N 3.27Å; L230-R233 PolarHBondContact O-N 2.97Å; L230-V234 WeakPolarHBondContact O-CG2 3.38Å; L230-V234 PolarHBondContact O-N 2.89Å
231	V	83.7	Confident	78	Confident	15 Å²	15	51.4 Å²	51.4	9%	0.091	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-41.6	175.9	168.8	0	0	0	0	111.4	L143 E146 N227 E229 R233 V234 K235	L143-V231 HydrophobicContact CD2-CG2 4.11Å; E146-V231 HydrophobicContact CG-CB 4.5Å; E146-V231 HydrophobicContact CG-CG1 3.76Å; E146-V231 HydrophobicContact CG-CG2 3.85Å; N227-V231 WeakPolarHBondContact O-CB 3.06Å; N227-V231 WeakPolarHBondContact O-CG2 3.3Å; N227-V231 PolarHBondContact O-N 3.31Å; E229-V231 PolarHBondContact O-N 3.41Å; V231-R233 VanDerWaalsContact C-N 3.32Å; V231-R233 PolarHBondContact O-N 2.81Å; V231-V234 PolarHBondContact O-N 3.28Å; V231-K235 HydrophobicContact CG1-CD 4.07Å; V231-K235 HydrophobicContact CG1-CG 4.49Å; V231-K235 WeakPolarHBondContact O-CB 3.07Å; V231-K235 WeakPolarHBondContact O-CG 3.09Å; V231-K235 PolarHBondContact O-N 2.67Å
232	A	74.6	Confident	75.6	Confident	21 Å²	21	54.8 Å²	54.8	17%	0.174	30%	0.298	C	S	.	.	H	α-helix	trans	-62.1	-41.3	177.4	0	0	0	0	0	111.5	R228 E229 L230 K235 A236 F313	R228-A232 WeakPolarHBondContact O-CB 3.42Å; R228-A232 PolarHBondContact O-N 2.92Å; E229-A232 WeakPolarHBondContact O-CB 3.41Å; E229-A232 PolarHBondContact O-N 2.79Å; L230-A232 VanDerWaalsContact C-N 3.33Å; L230-A232 PolarHBondContact O-N 3.27Å; A232-K235 PolarHBondContact O-N 3.47Å; A232-A236 VanDerWaalsContact O-CB 3.32Å; A232-A236 WeakPolarHBondContact O-CB 2.89Å; A232-A236 PolarHBondContact O-N 3.16Å; A232-F313 HydrophobicContact CB-CD2 4.37Å
233	R	83	Confident	73	Confident	11 Å²	11	60.5 Å²	60.5	4%	0.042	32%	0.322	C	S	.	.	H	α-helix	trans	-67.7	-41.8	176	-68.9	174.4	-177.8	-92.4	14.7	112.9	I198 D219 Y220 E229 L230 V231 K235 A236 N237 Y312 F313	I198-R233 HydrophobicContact CD1-CB 4.14Å; D219-R233 VanDerWaalsContact CG-NH1 3.28Å; D219-R233 IonicContact OD1-NH1 2.74Å; D219-R233 PolarHBondContact OD1-NH1 3.47Å; D219-R233 WeakPolarHBondContact OD2-CD 3.25Å; D219-R233 WeakPolarHBondContact OD2-CG 3.26Å; D219-R233 IonicContact OD2-CZ 2.73Å; D219-R233 IonicContact OD2-NH1 2.97Å; D219-R233 PolarHBondContact OD2-NH1 2.87Å; Y220-R233 PolarHBondContact O-NH1 3.37Å; E229-R233 WeakPolarHBondContact O-CG 3.37Å; E229-R233 PolarHBondContact O-N 3.34Å; E229-R233 IonicContact OE1-CZ 3.97Å; E229-R233 IonicContact OE1-NE 2.71Å; E229-R233 PolarHBondContact OE1-NE 3.22Å; E229-R233 VanDerWaalsContact OE1-NE 3.11Å; E229-R233 IonicContact OE1-NH2 2.69Å; E229-R233 PolarHBondContact OE1-NH2 3.35Å; L230-R233 PolarHBondContact O-N 2.97Å; V231-R233 VanDerWaalsContact C-N 3.32Å; V231-R233 PolarHBondContact O-N 2.81Å; R233-K235 VanDerWaalsContact C-N 3.35Å; R233-K235 PolarHBondContact O-N 2.91Å; R233-A236 PolarHBondContact O-N 2.98Å; R233-N237 WeakPolarHBondContact O-CB 3.48Å; R233-N237 PolarHBondContact O-N 3.11Å; R233-N237 PolarHBondContact O-ND2 2.93Å; R233-Y312 HydrophobicContact CG-CD2 4.44Å; R233-Y312 HydrophobicContact CG-CE2 4.38Å; R233-F313 PolarHBondContact NH2-O 3.08Å
234	V	85.5	Confident	70.4	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.018	35%	0.348	C	S	.	.	H	α-helix	trans	-59.4	-47.4	173.5	168.1	0	0	0	0	110.1	L143 Y148 L170 L172 I198 L230 V231 A236 N237 L238	L143-V234 HydrophobicContact CD2-CB 4.27Å; L143-V234 HydrophobicContact CD2-CG1 4.15Å; L143-V234 HydrophobicContact CD2-CG2 4.06Å; Y148-V234 HydrophobicContact CE1-CG1 4.27Å; Y148-V234 HydrophobicContact CE2-CG1 4.08Å; L170-V234 HydrophobicContact CD1-CG1 4.45Å; L170-V234 HydrophobicContact CD2-CG2 4.15Å; L172-V234 HydrophobicContact CD1-CG2 4.34Å; L172-V234 HydrophobicContact CD2-CG2 3.96Å; I198-V234 HydrophobicContact CD1-CG2 4.21Å; L230-V234 WeakPolarHBondContact O-CG2 3.38Å; L230-V234 PolarHBondContact O-N 2.89Å; V231-V234 PolarHBondContact O-N 3.28Å; V234-A236 PolarHBondContact O-N 3.35Å; V234-N237 PolarHBondContact O-N 3.5Å; V234-L238 HydrophobicContact CG1-CD1 3.6Å; V234-L238 HydrophobicContact CG1-CG 4.32Å; V234-L238 VanDerWaalsContact O-CB 3.26Å; V234-L238 WeakPolarHBondContact O-CB 3.36Å; V234-L238 WeakPolarHBondContact O-CG 3.39Å; V234-L238 PolarHBondContact O-N 3.07Å
235	K	78.8	Confident	67.8	Low	97 Å²	97	62.7 Å²	62.7	42%	0.422	35%	0.346	S	S	.	.	H	α-helix	trans	-60.5	-42	175.8	-76.4	176.5	-176.8	175.4	0	112.8	E146 Y148 V231 A232 R233 R239	E146-K235 IonicContact OE2-NZ 3.27Å; E146-K235 PolarHBondContact OE2-NZ 2.81Å; Y148-K235 WeakPolarHBondContact OH-CG 3.43Å; V231-K235 HydrophobicContact CG1-CD 4.07Å; V231-K235 HydrophobicContact CG1-CG 4.49Å; V231-K235 WeakPolarHBondContact O-CB 3.07Å; V231-K235 WeakPolarHBondContact O-CG 3.09Å; V231-K235 PolarHBondContact O-N 2.67Å; A232-K235 PolarHBondContact O-N 3.47Å; R233-K235 VanDerWaalsContact C-N 3.35Å; R233-K235 PolarHBondContact O-N 2.91Å; K235-R239 PolarHBondContact O-N 2.85Å; K235-R239 VanDerWaalsContact O-N 3.13Å
236	A	74.1	Confident	65.2	Low	11 Å²	11	70.7 Å²	70.7	9%	0.091	38%	0.38	C	S	.	.	H	α-helix	trans	-66.3	-39.7	-179.6	0	0	0	0	0	112.5	A232 R233 V234 Y312	A232-A236 VanDerWaalsContact O-CB 3.32Å; A232-A236 WeakPolarHBondContact O-CB 2.89Å; A232-A236 PolarHBondContact O-N 3.16Å; R233-A236 PolarHBondContact O-N 2.98Å; V234-A236 PolarHBondContact O-N 3.35Å; A236-Y312 HydrophobicContact CB-CD2 4Å
237	N	80.6	Confident	62.6	Low	24 Å²	24	76.8 Å²	76.8	13%	0.128	40%	0.402	C	S	.	.	H	α-helix	trans	-76.5	-34.3	177.6	-76.2	-77.8	0	0	0	112.3	L170 P196 I198 R233 V234 R239	L170-N237 HydrophobicContact CD1-CB 3.7Å; P196-N237 HydrophobicContact CB-CB 3.89Å; P196-N237 HydrophobicContact CG-CB 4.27Å; I198-N237 HydrophobicContact CD1-CB 4.28Å; I198-N237 WeakPolarHBondContact CD1-ND2 3.19Å; R233-N237 WeakPolarHBondContact O-CB 3.48Å; R233-N237 PolarHBondContact O-N 3.11Å; R233-N237 PolarHBondContact O-ND2 2.93Å; V234-N237 PolarHBondContact O-N 3.5Å; N237-R239 VanDerWaalsContact C-N 3.28Å; N237-R239 PolarHBondContact O-N 3.25Å
238	L	77.7	Confident	60	Low	21 Å²	21	82.8 Å²	82.8	11%	0.11	43%	0.428	C	S	.	.	S	Bend	trans	-80.1	-1.2	175.9	-73.2	176.7	0	0	0	114.5	N124 Y148 D169 L170 V234 R240	N124-L238 HydrophobicContact CB-CD1 3.81Å; N124-L238 HydrophobicContact CB-CD2 4.34Å; Y148-L238 HydrophobicContact CD1-CD1 4Å; Y148-L238 HydrophobicContact CE1-CD1 3.36Å; D169-L238 HydrophobicContact CB-CD2 3.53Å; D169-L238 WeakPolarHBondContact O-CD2 3.39Å; L170-L238 HydrophobicContact CB-CD2 3.71Å; L170-L238 HydrophobicContact CB-CG 4.16Å; L170-L238 HydrophobicContact CD1-CD2 4.3Å; L170-L238 HydrophobicContact CD1-CG 3.95Å; V234-L238 HydrophobicContact CG1-CD1 3.6Å; V234-L238 HydrophobicContact CG1-CG 4.32Å; V234-L238 VanDerWaalsContact O-CB 3.26Å; V234-L238 WeakPolarHBondContact O-CB 3.36Å; V234-L238 WeakPolarHBondContact O-CG 3.39Å; V234-L238 PolarHBondContact O-N 3.07Å; L238-R240 PolarHBondContact O-N 3.07Å
239	R	68.8	Low	57.7	Low	109 Å²	109	80.6 Å²	80.6	41%	0.411	43%	0.427	S	S	.	.			trans	-68.3	80.1	180	-168.2	172.8	72.9	-130.3	2.9	109.4	K235 N237 V307 W308	K235-R239 PolarHBondContact O-N 2.85Å; K235-R239 VanDerWaalsContact O-N 3.13Å; N237-R239 VanDerWaalsContact C-N 3.28Å; N237-R239 PolarHBondContact O-N 3.25Å; R239-V307 PolarHBondContact NH2-O 3.48Å; R239-W308 PolarHBondContact NH1-O 3.04Å; R239-W308 PolarHBondContact NH2-O 3.42Å
240	R	57	Low	55.2	Low	87 Å²	87	88.4 Å²	88.4	33%	0.328	46%	0.464	S	S	.	.			trans	-57.7	137.9	170	-67.7	-172.1	-76.4	-144	1.3	108.5	N124 D169 L238 G242	N124-R240 PolarHBondContact ND2-NH2 2.83Å; D169-R240 IonicContact OD1-CZ 3.14Å; D169-R240 IonicContact OD1-NH1 2.61Å; D169-R240 PolarHBondContact OD1-NH1 3.3Å; L238-R240 PolarHBondContact O-N 3.07Å; R240-G242 PolarHBondContact O-N 3.18Å
241	G	42.7	Very low	52.8	Low	46 Å²	46	93.6 Å²	93.6	47%	0.474	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	30.1	-173.9	0	0	0	0	0	117.9	Y268	G241-Y268 PolarHBondContact O-OH 3.06Å
242	G	33.4	Very low	51	Low	71 Å²	71	98.7 Å²	98.7	73%	0.732	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-4.7	-176.8	0	0	0	0	0	116.4	R240	R240-G242 PolarHBondContact O-N 3.18Å
243	Q	28.2	Very low	50.3	Low	169 Å²	169	101.6 Å²	101.6	79%	0.79	54%	0.537	S	S	*	.			trans	-120.5	58.6	174.1	-65.7	-172.8	11.1	0	0	110.9
244	A	29.4	Very low	50	Low	81 Å²	81	105.5 Å²	105.5	67%	0.669	57%	0.566	S	S	*	*	S	Bend	trans	-56.3	137.8	144.5	0	0	0	0	0	106.8	K246	A244-K246 PolarHBondContact O-N 3.44Å
245	P	29.4	Very low	50.1	Low	123 Å²	123	109.4 Å²	109.4	80%	0.799	59%	0.587	S	S	*	*			trans	-47.7	119.7	179.1	-23.1	30.6	0	0	0	109.2	E247	P245-E247 VanDerWaalsContact C-N 3.28Å; P245-E247 PolarHBondContact O-N 3.29Å
246	K	28.5	Very low	50.6	Low	205 Å²	205	106.9 Å²	106.9	89%	0.891	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	97.1	168.1	-77.2	-177.7	175	-178.4	0	106.8	A244	A244-K246 PolarHBondContact O-N 3.44Å
247	E	28.1	Very low	51.6	Low	190 Å²	190	110.9 Å²	110.9	89%	0.888	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-179.8	2.9	151.6	-103.6	166.1	-156	0	0	116.4	P245	P245-E247 VanDerWaalsContact C-N 3.28Å; P245-E247 PolarHBondContact O-N 3.29Å
248	E	29.6	Very low	52.2	Low	190 Å²	190	110.1 Å²	110.1	89%	0.888	60%	0.597	S	S	*	*	S	Bend	trans	-103.2	122.2	170.9	-71.3	-178.2	-178.6	0	0	111
249	E	29.5	Very low	52.9	Low	175 Å²	175	109.7 Å²	109.7	82%	0.818	60%	0.597	S	S	*	*			trans	-41.6	142.1	-174.1	-65.1	168.9	156.6	0	0	112.8	T251	E249-T251 PolarHBondContact O-N 3.43Å
250	Q	31.9	Very low	54	Low	203 Å²	203	107.3 Å²	107.3	95%	0.949	59%	0.593	S	S	*	*			trans	-59.8	68.1	177.9	-67.3	175.7	-36.8	0	0	112.8
251	T	34.5	Very low	55.8	Low	114 Å²	114	103.3 Å²	103.3	70%	0.699	58%	0.578	S	S	*	*			trans	-84.7	107.1	160.7	48.2	0	0	0	0	107	E249 Q253	E249-T251 PolarHBondContact O-N 3.43Å; T251-Q253 PolarHBondContact O-N 3.23Å
252	T	45.3	Very low	58.2	Low	121 Å²	121	102.4 Å²	102.4	74%	0.742	56%	0.563	S	S	*	*			trans	-43.2	122.9	162.4	33.4	0	0	0	0	108.8	S254 D266	T252-S254 PolarHBondContact O-N 2.83Å; T252-D266 VanDerWaalsContact CA-OD2 3.31Å; T252-D266 WeakPolarHBondContact CA-OD2 3.22Å; T252-D266 WeakPolarHBondContact CB-OD2 2.93Å
253	Q	59.6	Low	60.9	Low	82 Å²	82	99.1 Å²	99.1	38%	0.383	53%	0.529	S	S	.	.			trans	-77.4	112.1	-178.3	-70.8	-173.5	27.7	0	0	107.7	T251 D255 P265 D266 H288	T251-Q253 PolarHBondContact O-N 3.23Å; Q253-D255 PolarHBondContact O-N 3.35Å; Q253-P265 HydrophobicContact CB-CB 3.69Å; Q253-P265 HydrophobicContact CB-CG 4.02Å; Q253-D266 PolarHBondContact N-OD1 2.98Å; Q253-D266 PolarHBondContact N-OD2 2.67Å; Q253-H288 PolarHBondContact OE1-CE1 3.18Å; Q253-H288 VanDerWaalsContact OE1-CE1 3.29Å; Q253-H288 PolarHBondContact OE1-NE2 2.71Å
254	S	77.2	Confident	63.5	Low	94 Å²	94	93 Å²	93	66%	0.657	50%	0.501	S	S	*	.			trans	-57.1	139.3	178.2	58.9	0	0	0	0	111.4	T252	T252-S254 PolarHBondContact O-N 2.83Å
255	D	87.8	Confident	65.9	Low	84 Å²	84	89.5 Å²	89.5	45%	0.449	47%	0.471	S	S	.	.			trans	-49.4	141.9	172.6	-70.5	-9.3	0	0	0	112.3	Q253 T262 I263 H264	Q253-D255 PolarHBondContact O-N 3.35Å; D255-T262 HydrophobicContact CB-CG2 3.97Å; D255-I263 WeakPolarHBondContact CA-O 3.06Å; D255-H264 WeakPolarHBondContact OD1-CA 3.27Å; D255-H264 IonicContact OD1-CG 3.09Å; D255-H264 IonicContact OD1-ND1 2.82Å; D255-H264 PolarHBondContact OD1-ND1 3.13Å; D255-H264 VanDerWaalsContact OD1-ND1 3.1Å; D255-H264 IonicContact OD2-CE1 2.82Å; D255-H264 PolarHBondContact OD2-CE1 3.33Å; D255-H264 VanDerWaalsContact OD2-CE1 3.27Å; D255-H264 IonicContact OD2-ND1 3.56Å; D255-H264 PolarHBondContact OD2-ND1 3.11Å
256	L	90.4	Very high	68	Low	45 Å²	45	88.1 Å²	88.1	24%	0.236	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	107.5	177.5	-59.2	174.3	0	0	0	109.3	T262 I263 A291 K292	L256-T262 WeakPolarHBondContact O-CA 3.49Å; L256-I263 HydrophobicContact CB-CB 4.32Å; L256-I263 PolarHBondContact N-O 3.09Å; L256-I263 PolarHBondContact O-N 3.38Å; L256-A291 HydrophobicContact CD1-CB 3.89Å; L256-K292 HydrophobicContact CD1-CG 4Å
257	T	93.1	Very high	70.1	Confident	95 Å²	95	79.3 Å²	79.3	58%	0.583	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	128.1	175.7	-52.3	0	0	0	0	111.3	L261	T257-L261 CarbonylContact C-O 3.57Å; T257-L261 WeakPolarHBondContact CA-O 3.38Å
258	I	93.5	Very high	72.4	Confident	7 Å²	7	74.6 Å²	74.6	4%	0.036	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	98.5	-178	-54.8	175.8	0	0	0	107.2	D260 L261 A291 I294 Y339 L350 N352	I258-D260 PolarHBondContact O-N 3.06Å; I258-L261 PolarHBondContact N-O 2.84Å; I258-L261 WeakPolarHBondContact O-CB 3.43Å; I258-L261 PolarHBondContact O-N 3.44Å; I258-A291 HydrophobicContact CD1-CB 3.6Å; I258-I294 HydrophobicContact CD1-CD1 3.98Å; I258-I294 HydrophobicContact CG1-CD1 3.98Å; I258-I294 HydrophobicContact CG2-CD1 3.81Å; I258-Y339 HydrophobicContact CG2-CD1 4.12Å; I258-Y339 HydrophobicContact CG2-CE1 4.36Å; I258-Y339 WeakPolarHBondContact O-CE1 3.18Å; I258-L350 HydrophobicContact CD1-CD2 3.33Å; I258-L350 HydrophobicContact CD1-CG 4.26Å; I258-N352 HydrophobicContact CG2-CB 3.97Å
259	G	92.4	Very high	74.7	Confident	12 Å²	12	68.5 Å²	68.5	12%	0.124	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	-123.9	-169.1	0	0	0	0	0	110	N352	G259-N352 PolarHBondContact N-ND2 3.49Å; G259-N352 PolarHBondContact N-OD1 3.1Å
260	D	93.4	Very high	77.3	Confident	60 Å²	60	60.2 Å²	60.2	32%	0.321	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-9.8	178.4	-59.8	-67.6	0	0	0	114.6	I258 K272 H273 Y339	I258-D260 PolarHBondContact O-N 3.06Å; D260-K272 HydrophobicContact CB-CG 4.18Å; D260-K272 WeakPolarHBondContact O-CA 3.45Å; D260-H273 WeakPolarHBondContact CB-CE1 3.44Å; D260-H273 WeakPolarHBondContact CB-ND1 3.31Å; D260-H273 VanDerWaalsContact CG-ND1 3.25Å; D260-H273 PolarHBondContact O-N 3.16Å; D260-H273 IonicContact OD1-CE1 3.17Å; D260-H273 PolarHBondContact OD1-CE1 3.12Å; D260-H273 IonicContact OD1-ND1 3.56Å; D260-H273 PolarHBondContact OD1-ND1 3.05Å; D260-H273 VanDerWaalsContact OD1-ND1 3.08Å; D260-H273 IonicContact OD2-CE1 3.84Å; D260-H273 PolarHBondContact OD2-CE1 3.18Å; D260-H273 IonicContact OD2-ND1 3.08Å; D260-H273 IonicContact OD2-NE2 3.1Å; D260-Y339 PolarHBondContact N-OH 3.24Å; D260-Y339 VanDerWaalsContact N-OH 3.16Å; D260-Y339 PolarHBondContact OD2-OH 3.48Å
261	L	94.7	Very high	80	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.016	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	132.2	178.1	-69.1	170.5	0	0	0	110.3	T257 I258 V270 T271 K272 I277 I330 Y339	T257-L261 CarbonylContact C-O 3.57Å; T257-L261 WeakPolarHBondContact CA-O 3.38Å; I258-L261 PolarHBondContact N-O 2.84Å; I258-L261 WeakPolarHBondContact O-CB 3.43Å; I258-L261 PolarHBondContact O-N 3.44Å; L261-V270 HydrophobicContact CD2-CG1 4.29Å; L261-T271 CarbonylContact C-O 3.48Å; L261-T271 WeakPolarHBondContact CA-O 3.5Å; L261-K272 HydrophobicContact CD2-CB 3.7Å; L261-K272 HydrophobicContact CD2-CD 4.01Å; L261-K272 HydrophobicContact CD2-CG 3.73Å; L261-K272 HydrophobicContact CG-CG 4.33Å; L261-I277 HydrophobicContact CD2-CD1 4.01Å; L261-I330 HydrophobicContact CD1-CB 4.23Å; L261-I330 HydrophobicContact CD1-CD1 4.34Å; L261-I330 HydrophobicContact CD2-CB 4.22Å; L261-Y339 HydrophobicContact CD1-CD1 3.57Å; L261-Y339 HydrophobicContact CD1-CD2 4.03Å; L261-Y339 HydrophobicContact CD1-CE1 3.86Å; L261-Y339 HydrophobicContact CD1-CE2 4.3Å; L261-Y339 HydrophobicContact CD1-CG 3.65Å; L261-Y339 HydrophobicContact CG-CD1 4.33Å; L261-Y339 HydrophobicContact CG-CE1 4.11Å
262	T	91.9	Very high	82.7	Confident	26 Å²	26	46.9 Å²	46.9	16%	0.16	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.3	167	-54.6	0	0	0	0	109.2	D255 L256 H264 V270 T271	D255-T262 HydrophobicContact CB-CG2 3.97Å; L256-T262 WeakPolarHBondContact O-CA 3.49Å; T262-H264 WeakPolarHBondContact CG2-CE1 3.02Å; T262-V270 CarbonylContact O-C 3.1Å; T262-V270 WeakPolarHBondContact O-CA 3.26Å; T262-T271 PolarHBondContact N-O 3.03Å; T262-T271 PolarHBondContact O-N 3.38Å
263	I	90.5	Very high	84.8	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.015	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	128.8	174.7	-56.7	167.1	0	0	0	106.8	D255 L256 P265 V270 F284 L287 H288 A291	D255-I263 WeakPolarHBondContact CA-O 3.06Å; L256-I263 HydrophobicContact CB-CB 4.32Å; L256-I263 PolarHBondContact N-O 3.09Å; L256-I263 PolarHBondContact O-N 3.38Å; I263-P265 VanDerWaalsContact O-CD 3.32Å; I263-P265 WeakPolarHBondContact O-CD 2.83Å; I263-V270 HydrophobicContact CG1-CG1 4.48Å; I263-V270 HydrophobicContact CG1-CG2 4.18Å; I263-V270 HydrophobicContact CG2-CG2 4.32Å; I263-F284 HydrophobicContact CG2-CE2 3.84Å; I263-F284 HydrophobicContact CG2-CZ 3.94Å; I263-L287 HydrophobicContact CD1-CD2 4.28Å; I263-L287 HydrophobicContact CD1-CG 3.84Å; I263-L287 HydrophobicContact CG1-CD2 4.35Å; I263-L287 HydrophobicContact CG1-CG 4.43Å; I263-H288 HydrophobicContact CG2-CB 4.28Å; I263-A291 HydrophobicContact CD1-CB 3.3Å
264	H	83.5	Confident	85.9	Confident	41 Å²	41	45.6 Å²	45.6	19%	0.19	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	88.8	178.7	-54.1	-75.4	0	0	0	108.7	D255 T262 D266 A267 Y268 M269 T271	D255-H264 WeakPolarHBondContact OD1-CA 3.27Å; D255-H264 IonicContact OD1-CG 3.09Å; D255-H264 IonicContact OD1-ND1 2.82Å; D255-H264 PolarHBondContact OD1-ND1 3.13Å; D255-H264 VanDerWaalsContact OD1-ND1 3.1Å; D255-H264 IonicContact OD2-CE1 2.82Å; D255-H264 PolarHBondContact OD2-CE1 3.33Å; D255-H264 VanDerWaalsContact OD2-CE1 3.27Å; D255-H264 IonicContact OD2-ND1 3.56Å; D255-H264 PolarHBondContact OD2-ND1 3.11Å; T262-H264 WeakPolarHBondContact CG2-CE1 3.02Å; H264-D266 VanDerWaalsContact C-N 3.35Å; H264-D266 PolarHBondContact O-N 3.5Å; H264-A267 HydrophobicContact CB-CB 4.04Å; H264-A267 CarbonylContact O-C 3.59Å; H264-A267 PolarHBondContact O-N 2.75Å; H264-Y268 PolarHBondContact O-N 3.32Å; H264-M269 HydrophobicContact CB-CB 4.35Å; H264-M269 WeakPolarHBondContact CB-O 3.2Å; H264-M269 PolarHBondContact N-O 3.31Å; H264-M269 PolarHBondContact O-N 3.45Å; H264-T271 PolarHBondContact NE2-OG1 2.91Å; H264-T271 VanDerWaalsContact NE2-OG1 3.16Å
265	P	78.8	Confident	86.2	Confident	7 Å²	7	47 Å²	47	5%	0.045	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-58.5	-43.4	-172.2	-25.7	37.4	0	0	0	113.7	Q253 I263 A267 Y268	Q253-P265 HydrophobicContact CB-CB 3.69Å; Q253-P265 HydrophobicContact CB-CG 4.02Å; I263-P265 VanDerWaalsContact O-CD 3.32Å; I263-P265 WeakPolarHBondContact O-CD 2.83Å; P265-A267 VanDerWaalsContact C-N 3.26Å; P265-A267 PolarHBondContact O-N 3.48Å; P265-Y268 PolarHBondContact O-N 2.89Å
266	D	74.4	Confident	86	Confident	93 Å²	93	47 Å²	47	50%	0.497	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-70.9	-25	-176.7	-67	-15.9	0	0	0	112.1	T252 Q253 H264	T252-D266 VanDerWaalsContact CA-OD2 3.31Å; T252-D266 WeakPolarHBondContact CA-OD2 3.22Å; T252-D266 WeakPolarHBondContact CB-OD2 2.93Å; Q253-D266 PolarHBondContact N-OD1 2.98Å; Q253-D266 PolarHBondContact N-OD2 2.67Å; H264-D266 VanDerWaalsContact C-N 3.35Å; H264-D266 PolarHBondContact O-N 3.5Å
267	A	71.4	Confident	85.8	Confident	20 Å²	20	46.1 Å²	46.1	17%	0.165	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-97.4	-2.6	177.1	0	0	0	0	0	113.6	H264 P265 M269	H264-A267 HydrophobicContact CB-CB 4.04Å; H264-A267 CarbonylContact O-C 3.59Å; H264-A267 PolarHBondContact O-N 2.75Å; P265-A267 VanDerWaalsContact C-N 3.26Å; P265-A267 PolarHBondContact O-N 3.48Å; A267-M269 HydrophobicContact CB-CB 4.25Å; A267-M269 HydrophobicContact CB-CG 4.33Å; A267-M269 HydrophobicContact CB-SD 4.31Å; A267-M269 WeakPolarHBondContact O-CG 3.41Å; A267-M269 PolarHBondContact O-N 3.39Å; A267-M269 VanDerWaalsContact O-N 3.09Å
268	Y	77.4	Confident	85.2	Confident	91 Å²	91	49.1 Å²	49.1	36%	0.357	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	29.7	-171.5	-79.8	-93.3	0	0	0	114.2	G241 H264 P265 H281 F284 E285	G241-Y268 PolarHBondContact O-OH 3.06Å; H264-Y268 PolarHBondContact O-N 3.32Å; P265-Y268 PolarHBondContact O-N 2.89Å; Y268-H281 AromaticContact CD1-ND1 3.94Å; Y268-H281 AromaticContact CE1-CE1 3.57Å; Y268-H281 AromaticContact CE1-ND1 3.74Å; Y268-F284 AromaticContact CD1-CD1 3.4Å; Y268-F284 HydrophobicContact CD1-CD1 3.4Å; Y268-F284 VanDerWaalsContact CD1-CD1 3.4Å; Y268-F284 AromaticContact CD1-CE1 3.44Å; Y268-F284 HydrophobicContact CD1-CE1 3.44Å; Y268-F284 VanDerWaalsContact CD1-CE1 3.44Å; Y268-F284 HydrophobicContact CD1-CG 4.16Å; Y268-F284 HydrophobicContact CD1-CZ 4.25Å; Y268-F284 AromaticContact CE1-CD1 3.89Å; Y268-F284 HydrophobicContact CE1-CD1 3.89Å; Y268-F284 AromaticContact CE1-CE1 3.87Å; Y268-F284 HydrophobicContact CE1-CE1 3.87Å; Y268-F284 HydrophobicContact CG-CD1 4.34Å; Y268-F284 HydrophobicContact CG-CE1 4.09Å; Y268-F284 WeakPolarHBondContact O-CD2 3.28Å; Y268-E285 WeakPolarHBondContact CE1-OE1 3.4Å
269	M	78.5	Confident	84.6	Confident	63 Å²	63	50.2 Å²	50.2	31%	0.31	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	152.1	-174.6	-77.2	176	72.7	0	0	111.9	H264 A267 T276	H264-M269 HydrophobicContact CB-CB 4.35Å; H264-M269 WeakPolarHBondContact CB-O 3.2Å; H264-M269 PolarHBondContact N-O 3.31Å; H264-M269 PolarHBondContact O-N 3.45Å; A267-M269 HydrophobicContact CB-CB 4.25Å; A267-M269 HydrophobicContact CB-CG 4.33Å; A267-M269 HydrophobicContact CB-SD 4.31Å; A267-M269 WeakPolarHBondContact O-CG 3.41Å; A267-M269 PolarHBondContact O-N 3.39Å; A267-M269 VanDerWaalsContact O-N 3.09Å; M269-T276 HydrophobicContact CE-CG2 3.73Å
270	V	84.2	Confident	84	Confident	1 Å²	1	52 Å²	52	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.2	172.3	-180	0	0	0	0	108.5	L261 T262 I263 I277 L279 F284 L287	L261-V270 HydrophobicContact CD2-CG1 4.29Å; T262-V270 CarbonylContact O-C 3.1Å; T262-V270 WeakPolarHBondContact O-CA 3.26Å; I263-V270 HydrophobicContact CG1-CG1 4.48Å; I263-V270 HydrophobicContact CG1-CG2 4.18Å; I263-V270 HydrophobicContact CG2-CG2 4.32Å; V270-I277 PolarHBondContact O-N 3.26Å; V270-L279 HydrophobicContact CB-CD1 4.05Å; V270-L279 HydrophobicContact CG2-CD1 3.63Å; V270-F284 HydrophobicContact CG2-CD2 3.76Å; V270-F284 HydrophobicContact CG2-CE2 3.85Å; V270-L287 HydrophobicContact CG1-CD2 4.09Å; V270-L287 HydrophobicContact CG2-CD2 4.02Å
271	T	87.9	Confident	83.1	Confident	20 Å²	20	52.8 Å²	52.8	12%	0.123	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	148.6	173.6	58.6	0	0	0	0	110.4	L261 T262 H264 D275	L261-T271 CarbonylContact C-O 3.48Å; L261-T271 WeakPolarHBondContact CA-O 3.5Å; T262-T271 PolarHBondContact N-O 3.03Å; T262-T271 PolarHBondContact O-N 3.38Å; H264-T271 PolarHBondContact NE2-OG1 2.91Å; H264-T271 VanDerWaalsContact NE2-OG1 3.16Å; T271-D275 CarbonylContact C-O 3.52Å; T271-D275 WeakPolarHBondContact CA-O 3.22Å
272	K	91	Very high	82.5	Confident	17 Å²	17	53.6 Å²	53.6	7%	0.074	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	123.3	170	-167.1	-175.5	177.6	-178.9	0	109	D260 L261 G274 D275 I277 I330 D332	D260-K272 HydrophobicContact CB-CG 4.18Å; D260-K272 WeakPolarHBondContact O-CA 3.45Å; L261-K272 HydrophobicContact CD2-CB 3.7Å; L261-K272 HydrophobicContact CD2-CD 4.01Å; L261-K272 HydrophobicContact CD2-CG 3.73Å; L261-K272 HydrophobicContact CG-CG 4.33Å; K272-G274 PolarHBondContact O-N 3.47Å; K272-G274 VanDerWaalsContact O-N 3.12Å; K272-D275 PolarHBondContact N-O 3.47Å; K272-D275 PolarHBondContact O-N 3.06Å; K272-I277 HydrophobicContact CB-CD1 3.55Å; K272-I277 HydrophobicContact CB-CG1 4.2Å; K272-I277 HydrophobicContact CD-CD1 4.37Å; K272-I330 PolarHBondContact NZ-O 2.79Å; K272-D332 IonicContact NZ-OD1 3.84Å; K272-D332 PolarHBondContact NZ-OD1 3.42Å; K272-D332 IonicContact NZ-OD2 2.7Å; K272-D332 PolarHBondContact NZ-OD2 3.16Å; K272-D332 VanDerWaalsContact NZ-OD2 3.14Å
273	H	88.8	Confident	82.4	Confident	114 Å²	114	52.6 Å²	52.6	53%	0.528	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	26.9	-171.1	-50.3	-74.3	0	0	0	113.7	D260 D275	D260-H273 WeakPolarHBondContact CB-CE1 3.44Å; D260-H273 WeakPolarHBondContact CB-ND1 3.31Å; D260-H273 VanDerWaalsContact CG-ND1 3.25Å; D260-H273 PolarHBondContact O-N 3.16Å; D260-H273 IonicContact OD1-CE1 3.17Å; D260-H273 PolarHBondContact OD1-CE1 3.12Å; D260-H273 IonicContact OD1-ND1 3.56Å; D260-H273 PolarHBondContact OD1-ND1 3.05Å; D260-H273 VanDerWaalsContact OD1-ND1 3.08Å; D260-H273 IonicContact OD2-CE1 3.84Å; D260-H273 PolarHBondContact OD2-CE1 3.18Å; D260-H273 IonicContact OD2-ND1 3.08Å; D260-H273 IonicContact OD2-NE2 3.1Å; H273-D275 VanDerWaalsContact C-N 3.32Å
274	G	83.2	Confident	82.3	Confident	62 Å²	62	52.6 Å²	52.6	64%	0.639	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-9.7	-176.7	0	0	0	0	0	115.3	K272	K272-G274 PolarHBondContact O-N 3.47Å; K272-G274 VanDerWaalsContact O-N 3.12Å
275	D	84.2	Confident	82.5	Confident	122 Å²	122	52.9 Å²	52.9	65%	0.652	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	133.2	175.4	-64.8	-40.9	0	0	0	110.4	T271 K272 H273	T271-D275 CarbonylContact C-O 3.52Å; T271-D275 WeakPolarHBondContact CA-O 3.22Å; K272-D275 PolarHBondContact N-O 3.47Å; K272-D275 PolarHBondContact O-N 3.06Å; H273-D275 VanDerWaalsContact C-N 3.32Å
276	T	83.8	Confident	83.3	Confident	85 Å²	85	52.6 Å²	52.6	52%	0.521	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	134.3	177.6	-57.4	0	0	0	0	111.3	M269	M269-T276 HydrophobicContact CE-CG2 3.73Å
277	I	84.7	Confident	84.3	Confident	26 Å²	26	48.2 Å²	48.2	13%	0.133	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	118.8	170.4	-60.7	-177.4	0	0	0	108.5	L261 V270 K272 L279 K329 I330	L261-I277 HydrophobicContact CD2-CD1 4.01Å; V270-I277 PolarHBondContact O-N 3.26Å; K272-I277 HydrophobicContact CB-CD1 3.55Å; K272-I277 HydrophobicContact CB-CG1 4.2Å; K272-I277 HydrophobicContact CD-CD1 4.37Å; I277-L279 HydrophobicContact CG2-CD2 3.64Å; I277-L279 HydrophobicContact CG2-CG 4.05Å; I277-L279 PolarHBondContact O-N 2.96Å; I277-K329 HydrophobicContact CG2-CB 3.97Å; I277-I330 HydrophobicContact CD1-CG2 4.17Å
278	E	80.2	Confident	85.4	Confident	158 Å²	158	47.9 Å²	47.9	74%	0.738	25%	0.253	S	S	*	.			trans	-72.2	106.5	173.9	-71	176.3	-175.4	0	0	110.9	K329	E278-K329 WeakPolarHBondContact O-CD 3.42Å; E278-K329 PolarHBondContact O-NZ 3.24Å
279	L	82.3	Confident	86.2	Confident	30 Å²	30	45.6 Å²	45.6	16%	0.157	24%	0.244	C	C	.	.			trans	-110.8	138.9	174.4	-61.1	-172.4	0	0	0	109.5	V270 I277 E283 F284 L287 L326 K329	V270-L279 HydrophobicContact CB-CD1 4.05Å; V270-L279 HydrophobicContact CG2-CD1 3.63Å; I277-L279 HydrophobicContact CG2-CD2 3.64Å; I277-L279 HydrophobicContact CG2-CG 4.05Å; I277-L279 PolarHBondContact O-N 2.96Å; L279-E283 HydrophobicContact CB-CB 4.04Å; L279-E283 HydrophobicContact CD2-CB 4.26Å; L279-F284 HydrophobicContact CB-CB 4.36Å; L279-L287 HydrophobicContact CD1-CD2 3.91Å; L279-L326 HydrophobicContact CD1-CD2 3.99Å; L279-L326 HydrophobicContact CD2-CD2 3.91Å; L279-K329 HydrophobicContact CD2-CB 4.14Å; L279-K329 HydrophobicContact CD2-CD 3.57Å
280	T	78.7	Confident	87.1	Confident	49 Å²	49	42.6 Å²	42.6	30%	0.301	23%	0.229	S	C	.	.			trans	-59.8	156.1	162.3	62.2	0	0	0	0	108.9	R282 E283 F284	T280-R282 PolarHBondContact O-N 3.24Å; T280-E283 PolarHBondContact N-OE2 3.22Å; T280-E283 PolarHBondContact O-N 3.49Å; T280-E283 VanDerWaalsContact O-N 3.14Å; T280-E283 WeakPolarHBondContact OG1-CB 3.49Å; T280-E283 WeakPolarHBondContact OG1-CG 3.38Å; T280-E283 PolarHBondContact OG1-N 3.29Å; T280-E283 PolarHBondContact OG1-OE2 3.11Å; T280-F284 PolarHBondContact O-N 3.1Å
281	H	75.1	Confident	87.6	Confident	78 Å²	78	42.9 Å²	42.9	36%	0.361	23%	0.231	S	C	.	.	H	α-helix	trans	-49.6	-35.9	175	-179.9	66.6	0	0	0	112	Y268 F284 E285	Y268-H281 AromaticContact CD1-ND1 3.94Å; Y268-H281 AromaticContact CE1-CE1 3.57Å; Y268-H281 AromaticContact CE1-ND1 3.74Å; H281-F284 PolarHBondContact O-N 3.01Å; H281-E285 WeakPolarHBondContact O-CB 3.23Å; H281-E285 VanDerWaalsContact O-CG 3.27Å; H281-E285 WeakPolarHBondContact O-CG 3.35Å; H281-E285 PolarHBondContact O-N 3.11Å
282	R	82.6	Confident	87.9	Confident	20 Å²	20	46.9 Å²	46.9	8%	0.075	25%	0.247	C	C	.	.	H	α-helix	trans	-78.7	-35.5	-175.9	-146.4	37.2	147.6	-172.2	-27.5	115.1	T280 F284 L286 V307 W308	T280-R282 PolarHBondContact O-N 3.24Å; R282-F284 VanDerWaalsContact C-N 3.35Å; R282-L286 WeakPolarHBondContact O-CB 3.05Å; R282-L286 PolarHBondContact O-N 2.95Å; R282-L286 VanDerWaalsContact O-N 3.12Å; R282-V307 VanDerWaalsContact NH1-C 3.34Å; R282-V307 VanDerWaalsContact NH1-CG1 3.27Å; R282-V307 PolarHBondContact NH1-O 2.81Å; R282-V307 PolarHBondContact NH2-O 3.43Å; R282-W308 HydrophobicContact CG-CD2 4.42Å; R282-W308 HydrophobicContact CG-CH2 4.09Å; R282-W308 HydrophobicContact CG-CZ2 3.52Å; R282-W308 VanDerWaalsContact NH2-CA 3.34Å
283	E	89.1	Confident	88.1	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.019	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-44.7	168.8	-71.8	166.2	157.1	0	0	110.6	L279 T280 L286 L287 T322 R325 L326 K329	L279-E283 HydrophobicContact CB-CB 4.04Å; L279-E283 HydrophobicContact CD2-CB 4.26Å; T280-E283 PolarHBondContact N-OE2 3.22Å; T280-E283 PolarHBondContact O-N 3.49Å; T280-E283 VanDerWaalsContact O-N 3.14Å; T280-E283 WeakPolarHBondContact OG1-CB 3.49Å; T280-E283 WeakPolarHBondContact OG1-CG 3.38Å; T280-E283 PolarHBondContact OG1-N 3.29Å; T280-E283 PolarHBondContact OG1-OE2 3.11Å; E283-L286 PolarHBondContact O-N 3.35Å; E283-L287 WeakPolarHBondContact O-CB 3.34Å; E283-L287 PolarHBondContact O-N 3.27Å; E283-T322 HydrophobicContact CG-CG2 3.84Å; E283-R325 WeakPolarHBondContact OE1-CB 3.19Å; E283-L326 HydrophobicContact CB-CD2 3.62Å; E283-L326 HydrophobicContact CB-CG 3.86Å; E283-L326 HydrophobicContact CG-CD2 4.24Å; E283-L326 HydrophobicContact CG-CG 4.03Å; E283-K329 IonicContact OE1-NZ 3.59Å; E283-K329 PolarHBondContact OE1-NZ 3Å; E283-K329 IonicContact OE2-NZ 2.75Å; E283-K329 PolarHBondContact OE2-NZ 3.12Å
284	F	88.5	Confident	88.4	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.018	25%	0.248	C	C	.	.	H	α-helix	trans	-57.7	-54.1	176.3	-180	-90	0	0	0	111.9	I263 Y268 V270 L279 T280 H281 R282 L286 L287 H288	I263-F284 HydrophobicContact CG2-CE2 3.84Å; I263-F284 HydrophobicContact CG2-CZ 3.94Å; Y268-F284 AromaticContact CD1-CD1 3.4Å; Y268-F284 HydrophobicContact CD1-CD1 3.4Å; Y268-F284 VanDerWaalsContact CD1-CD1 3.4Å; Y268-F284 AromaticContact CD1-CE1 3.44Å; Y268-F284 HydrophobicContact CD1-CE1 3.44Å; Y268-F284 VanDerWaalsContact CD1-CE1 3.44Å; Y268-F284 HydrophobicContact CD1-CG 4.16Å; Y268-F284 HydrophobicContact CD1-CZ 4.25Å; Y268-F284 AromaticContact CE1-CD1 3.89Å; Y268-F284 HydrophobicContact CE1-CD1 3.89Å; Y268-F284 AromaticContact CE1-CE1 3.87Å; Y268-F284 HydrophobicContact CE1-CE1 3.87Å; Y268-F284 HydrophobicContact CG-CD1 4.34Å; Y268-F284 HydrophobicContact CG-CE1 4.09Å; Y268-F284 WeakPolarHBondContact O-CD2 3.28Å; V270-F284 HydrophobicContact CG2-CD2 3.76Å; V270-F284 HydrophobicContact CG2-CE2 3.85Å; L279-F284 HydrophobicContact CB-CB 4.36Å; T280-F284 PolarHBondContact O-N 3.1Å; H281-F284 PolarHBondContact O-N 3.01Å; R282-F284 VanDerWaalsContact C-N 3.35Å; F284-L286 VanDerWaalsContact C-N 3.3Å; F284-L286 PolarHBondContact O-N 3.45Å; F284-L287 PolarHBondContact O-N 3.36Å; F284-L287 VanDerWaalsContact O-N 3.16Å; F284-H288 HydrophobicContact CD1-CB 4.43Å; F284-H288 HydrophobicContact CE1-CB 4.07Å; F284-H288 AromaticContact CE1-ND1 3.93Å; F284-H288 HydrophobicContact CZ-CB 4.36Å; F284-H288 VanDerWaalsContact O-CB 3.27Å; F284-H288 WeakPolarHBondContact O-CB 3.45Å; F284-H288 PolarHBondContact O-N 3.3Å
285	E	88.6	Confident	88.9	Confident	47 Å²	47	46.2 Å²	46.2	22%	0.22	24%	0.242	C	C	.	.	H	α-helix	trans	-58.5	-41.6	-178.6	-76.6	-70.3	119.3	0	0	112.2	Y268 H281 Y289 V307	Y268-E285 WeakPolarHBondContact CE1-OE1 3.4Å; H281-E285 WeakPolarHBondContact O-CB 3.23Å; H281-E285 VanDerWaalsContact O-CG 3.27Å; H281-E285 WeakPolarHBondContact O-CG 3.35Å; H281-E285 PolarHBondContact O-N 3.11Å; E285-Y289 WeakPolarHBondContact O-CB 3.43Å; E285-Y289 PolarHBondContact O-N 3.19Å; E285-V307 HydrophobicContact CB-CG1 3.98Å
286	L	94.1	Very high	89.4	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-45.8	176.8	176.6	59.3	0	0	0	111.7	R282 E283 F284 L290 L303 V307 T322 V323 L326	R282-L286 WeakPolarHBondContact O-CB 3.05Å; R282-L286 PolarHBondContact O-N 2.95Å; R282-L286 VanDerWaalsContact O-N 3.12Å; E283-L286 PolarHBondContact O-N 3.35Å; F284-L286 VanDerWaalsContact C-N 3.3Å; F284-L286 PolarHBondContact O-N 3.45Å; L286-L290 HydrophobicContact CD1-CD1 3.98Å; L286-L290 HydrophobicContact CD1-CG 4.32Å; L286-L290 HydrophobicContact CG-CD1 4.25Å; L286-L290 WeakPolarHBondContact O-CG 3.45Å; L286-L290 PolarHBondContact O-N 2.98Å; L286-L290 VanDerWaalsContact O-N 3.07Å; L286-L303 HydrophobicContact CD1-CB 4.39Å; L286-L303 HydrophobicContact CD1-CD1 4.16Å; L286-L303 HydrophobicContact CD1-CD2 3.87Å; L286-L303 HydrophobicContact CD1-CG 4.36Å; L286-V307 HydrophobicContact CB-CG1 4.28Å; L286-V307 HydrophobicContact CB-CG2 4.44Å; L286-V307 HydrophobicContact CD1-CG2 4.07Å; L286-T322 HydrophobicContact CD2-CG2 3.68Å; L286-V323 HydrophobicContact CD2-CG2 3.88Å; L286-L326 HydrophobicContact CB-CD1 4.1Å; L286-L326 HydrophobicContact CD2-CD1 3.72Å; L286-L326 HydrophobicContact CG-CD1 3.9Å
287	L	96.5	Very high	90.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-65.2	-47.6	179.4	-180	61.9	0	0	0	111.4	I263 V270 L279 E283 F284 Y289 L290 A291 L326 I330 L350	I263-L287 HydrophobicContact CD1-CD2 4.28Å; I263-L287 HydrophobicContact CD1-CG 3.84Å; I263-L287 HydrophobicContact CG1-CD2 4.35Å; I263-L287 HydrophobicContact CG1-CG 4.43Å; V270-L287 HydrophobicContact CG1-CD2 4.09Å; V270-L287 HydrophobicContact CG2-CD2 4.02Å; L279-L287 HydrophobicContact CD1-CD2 3.91Å; E283-L287 WeakPolarHBondContact O-CB 3.34Å; E283-L287 PolarHBondContact O-N 3.27Å; F284-L287 PolarHBondContact O-N 3.36Å; F284-L287 VanDerWaalsContact O-N 3.16Å; L287-Y289 PolarHBondContact O-N 3.45Å; L287-L290 PolarHBondContact O-N 3.5Å; L287-A291 WeakPolarHBondContact O-CB 3.38Å; L287-A291 PolarHBondContact O-N 2.99Å; L287-L326 HydrophobicContact CB-CD1 4.27Å; L287-L326 HydrophobicContact CB-CD2 4.18Å; L287-L326 HydrophobicContact CD2-CD2 4.46Å; L287-I330 HydrophobicContact CD1-CD1 3.95Å; L287-I330 HydrophobicContact CD2-CG2 4.39Å; L287-L350 HydrophobicContact CD1-CD1 3.75Å; L287-L350 HydrophobicContact CD1-CD2 3.83Å
288	H	94.4	Very high	90.7	Very high	14 Å²	14	43.8 Å²	43.8	7%	0.065	22%	0.224	C	C	.	.	H	α-helix	trans	-60.9	-43.3	178.1	177.9	-156.3	0	0	0	111.7	Q253 I263 F284 A291 K292	Q253-H288 PolarHBondContact OE1-CE1 3.18Å; Q253-H288 VanDerWaalsContact OE1-CE1 3.29Å; Q253-H288 PolarHBondContact OE1-NE2 2.71Å; I263-H288 HydrophobicContact CG2-CB 4.28Å; F284-H288 HydrophobicContact CD1-CB 4.43Å; F284-H288 HydrophobicContact CE1-CB 4.07Å; F284-H288 AromaticContact CE1-ND1 3.93Å; F284-H288 HydrophobicContact CZ-CB 4.36Å; F284-H288 VanDerWaalsContact O-CB 3.27Å; F284-H288 WeakPolarHBondContact O-CB 3.45Å; F284-H288 PolarHBondContact O-N 3.3Å; H288-A291 WeakPolarHBondContact O-CB 3.49Å; H288-A291 PolarHBondContact O-N 2.93Å; H288-K292 PolarHBondContact CE1-NZ 3.27Å; H288-K292 WeakPolarHBondContact NE2-CE 3.48Å; H288-K292 PolarHBondContact NE2-NZ 3.16Å; H288-K292 VanDerWaalsContact NE2-NZ 3.11Å; H288-K292 PolarHBondContact O-N 3.17Å
289	Y	94.4	Very high	91.4	Very high	43 Å²	43	38.9 Å²	38.9	17%	0.169	21%	0.205	C	C	.	.	H	α-helix	trans	-59.3	-49.7	175.1	-174.2	-100.3	0	0	0	111.5	E285 L287 A291 K292 H293 M298 H302 L303 T306 V307	E285-Y289 WeakPolarHBondContact O-CB 3.43Å; E285-Y289 PolarHBondContact O-N 3.19Å; L287-Y289 PolarHBondContact O-N 3.45Å; Y289-A291 VanDerWaalsContact C-N 3.28Å; Y289-A291 PolarHBondContact O-N 2.97Å; Y289-K292 PolarHBondContact O-N 3.36Å; Y289-H293 AromaticContact CE1-CD2 3.88Å; Y289-H293 AromaticContact CE2-CD2 3.63Å; Y289-H293 AromaticContact CE2-NE2 3.48Å; Y289-H293 WeakPolarHBondContact CE2-NE2 3.21Å; Y289-H293 AromaticContact CZ-CD2 3.47Å; Y289-H293 VanDerWaalsContact CZ-CD2 3.47Å; Y289-H293 AromaticContact CZ-NE2 3.52Å; Y289-H293 PolarHBondContact O-CD2 3.37Å; Y289-H293 VanDerWaalsContact O-CD2 3.22Å; Y289-H293 PolarHBondContact O-N 3.34Å; Y289-H293 PolarHBondContact OH-NE2 3.24Å; Y289-M298 HydrophobicContact CE1-CE 4.06Å; Y289-M298 HydrophobicContact CE1-CG 4.15Å; Y289-M298 HydrophobicContact CE1-SD 4.2Å; Y289-H302 AromaticContact CE1-CD2 3.99Å; Y289-H302 AromaticContact CE1-NE2 3.7Å; Y289-H302 AromaticContact CZ-NE2 3.54Å; Y289-H302 PolarHBondContact OH-NE2 3.09Å; Y289-L303 HydrophobicContact CD1-CD2 3.72Å; Y289-L303 HydrophobicContact CE1-CD2 4.02Å; Y289-T306 HydrophobicContact CD2-CG2 3.69Å; Y289-T306 HydrophobicContact CE1-CG2 4.25Å; Y289-T306 HydrophobicContact CE2-CG2 3.23Å; Y289-T306 HydrophobicContact CG-CG2 4.39Å; Y289-V307 HydrophobicContact CG-CG2 4.39Å
290	L	97.5	Very high	92	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.6	-30.9	178.5	-70.6	171.4	0	0	0	112.8	L286 L287 H293 I294 M298 L303 L340 L350	L286-L290 HydrophobicContact CD1-CD1 3.98Å; L286-L290 HydrophobicContact CD1-CG 4.32Å; L286-L290 HydrophobicContact CG-CD1 4.25Å; L286-L290 WeakPolarHBondContact O-CG 3.45Å; L286-L290 PolarHBondContact O-N 2.98Å; L286-L290 VanDerWaalsContact O-N 3.07Å; L287-L290 PolarHBondContact O-N 3.5Å; L290-H293 CarbonylContact O-C 3.5Å; L290-H293 PolarHBondContact O-N 2.97Å; L290-I294 PolarHBondContact O-N 3.3Å; L290-I294 VanDerWaalsContact O-N 3.11Å; L290-M298 HydrophobicContact CD2-CB 4.06Å; L290-M298 HydrophobicContact CD2-CG 3.78Å; L290-L303 HydrophobicContact CD2-CD1 4.43Å; L290-L303 HydrophobicContact CD2-CD2 3.81Å; L290-L303 HydrophobicContact CG-CD2 4.21Å; L290-L340 HydrophobicContact CD1-CD1 3.46Å; L290-L340 VanDerWaalsContact CD1-CD1 3.46Å; L290-L350 HydrophobicContact CB-CB 3.92Å
291	A	95.4	Very high	92.6	Very high	7 Å²	7	42 Å²	42	6%	0.058	21%	0.214	C	C	.	.	H	α-helix	trans	-68.3	-42.5	175.3	0	0	0	0	0	113	L256 I258 I263 L287 H288 Y289 H293 I294 L350	L256-A291 HydrophobicContact CD1-CB 3.89Å; I258-A291 HydrophobicContact CD1-CB 3.6Å; I263-A291 HydrophobicContact CD1-CB 3.3Å; L287-A291 WeakPolarHBondContact O-CB 3.38Å; L287-A291 PolarHBondContact O-N 2.99Å; H288-A291 WeakPolarHBondContact O-CB 3.49Å; H288-A291 PolarHBondContact O-N 2.93Å; Y289-A291 VanDerWaalsContact C-N 3.28Å; Y289-A291 PolarHBondContact O-N 2.97Å; A291-H293 PolarHBondContact O-N 3.26Å; A291-H293 VanDerWaalsContact O-N 3.16Å; A291-I294 PolarHBondContact O-N 3.4Å; A291-L350 HydrophobicContact CB-CD2 3.75Å
292	K	93.8	Very high	93.4	Very high	104 Å²	104	41.1 Å²	41.1	45%	0.452	21%	0.21	S	C	.	.	H	α-helix	trans	-59.5	-24.5	171.6	-80.1	-179.2	164.3	160.7	0	112.8	L256 H288 Y289	L256-K292 HydrophobicContact CD1-CG 4Å; H288-K292 PolarHBondContact CE1-NZ 3.27Å; H288-K292 WeakPolarHBondContact NE2-CE 3.48Å; H288-K292 PolarHBondContact NE2-NZ 3.16Å; H288-K292 VanDerWaalsContact NE2-NZ 3.11Å; H288-K292 PolarHBondContact O-N 3.17Å; Y289-K292 PolarHBondContact O-N 3.36Å
293	H	95.2	Very high	94	Very high	55 Å²	55	40.1 Å²	40.1	26%	0.255	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	38.4	178.7	-60.6	-77.6	0	0	0	112.5	Y289 L290 A291 G295 Q296 M298	Y289-H293 AromaticContact CE1-CD2 3.88Å; Y289-H293 AromaticContact CE2-CD2 3.63Å; Y289-H293 AromaticContact CE2-NE2 3.48Å; Y289-H293 WeakPolarHBondContact CE2-NE2 3.21Å; Y289-H293 AromaticContact CZ-CD2 3.47Å; Y289-H293 VanDerWaalsContact CZ-CD2 3.47Å; Y289-H293 AromaticContact CZ-NE2 3.52Å; Y289-H293 PolarHBondContact O-CD2 3.37Å; Y289-H293 VanDerWaalsContact O-CD2 3.22Å; Y289-H293 PolarHBondContact O-N 3.34Å; Y289-H293 PolarHBondContact OH-NE2 3.24Å; L290-H293 CarbonylContact O-C 3.5Å; L290-H293 PolarHBondContact O-N 2.97Å; A291-H293 PolarHBondContact O-N 3.26Å; A291-H293 VanDerWaalsContact O-N 3.16Å; H293-G295 PolarHBondContact O-N 3.02Å; H293-Q296 HydrophobicContact CB-CB 4.29Å; H293-Q296 HydrophobicContact CB-CG 4.5Å; H293-Q296 VanDerWaalsContact O-CB 3.27Å; H293-Q296 WeakPolarHBondContact O-CB 3.49Å; H293-Q296 PolarHBondContact O-N 2.84Å; H293-M298 HydrophobicContact CB-CE 3.16Å
294	I	93.8	Very high	93.9	Very high	74 Å²	74	40.6 Å²	40.6	38%	0.379	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	134.6	-176.2	-165	171.4	0	0	0	112.3	I258 L290 A291 Q296 N352	I258-I294 HydrophobicContact CD1-CD1 3.98Å; I258-I294 HydrophobicContact CG1-CD1 3.98Å; I258-I294 HydrophobicContact CG2-CD1 3.81Å; L290-I294 PolarHBondContact O-N 3.3Å; L290-I294 VanDerWaalsContact O-N 3.11Å; A291-I294 PolarHBondContact O-N 3.4Å; I294-Q296 PolarHBondContact O-N 2.9Å; I294-N352 HydrophobicContact CD1-CB 4.21Å
295	G	93.4	Very high	93.7	Very high	49 Å²	49	44.7 Å²	44.7	51%	0.505	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	78	-12.8	-177.3	0	0	0	0	0	115.4	H293 L350	H293-G295 PolarHBondContact O-N 3.02Å; G295-L350 PolarHBondContact N-O 3.21Å
296	Q	96.6	Very high	93.5	Very high	109 Å²	109	44.2 Å²	44.2	51%	0.509	23%	0.228	S	C	.	.			trans	-85.6	131.5	178.7	-55.6	-177	9	0	0	110.8	H293 I294 M298 Y349	H293-Q296 HydrophobicContact CB-CB 4.29Å; H293-Q296 HydrophobicContact CB-CG 4.5Å; H293-Q296 VanDerWaalsContact O-CB 3.27Å; H293-Q296 WeakPolarHBondContact O-CB 3.49Å; H293-Q296 PolarHBondContact O-N 2.84Å; I294-Q296 PolarHBondContact O-N 2.9Å; Q296-M298 HydrophobicContact CB-CE 4.13Å; Q296-M298 PolarHBondContact O-N 3.25Å; Q296-Y349 WeakPolarHBondContact O-CB 3.46Å
297	V	97.3	Very high	93.1	Very high	57 Å²	57	44.3 Å²	44.3	35%	0.345	23%	0.229	S	C	.	.			trans	-79.8	114.1	175.9	-176.1	0	0	0	0	109.9	R343 V346 Y349	V297-R343 HydrophobicContact CG1-CB 3.61Å; V297-R343 HydrophobicContact CG1-CG 4.01Å; V297-R343 HydrophobicContact CG2-CB 4.09Å; V297-R343 HydrophobicContact CG2-CG 4.17Å; V297-V346 HydrophobicContact CG1-CB 4.09Å; V297-V346 HydrophobicContact CG1-CG1 3.61Å; V297-Y349 HydrophobicContact CG2-CD1 3.94Å; V297-Y349 HydrophobicContact CG2-CG 4.25Å
298	M	97.4	Very high	92.4	Very high	16 Å²	16	44.3 Å²	44.3	8%	0.079	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	133.3	174	-61.2	-58.3	179	0	0	110.2	Y289 L290 H293 Q296 H302 L303 G347 Y348	Y289-M298 HydrophobicContact CE1-CE 4.06Å; Y289-M298 HydrophobicContact CE1-CG 4.15Å; Y289-M298 HydrophobicContact CE1-SD 4.2Å; L290-M298 HydrophobicContact CD2-CB 4.06Å; L290-M298 HydrophobicContact CD2-CG 3.78Å; H293-M298 HydrophobicContact CB-CE 3.16Å; Q296-M298 HydrophobicContact CB-CE 4.13Å; Q296-M298 PolarHBondContact O-N 3.25Å; M298-H302 VanDerWaalsContact SD-CD2 3.52Å; M298-L303 HydrophobicContact CB-CD1 4.03Å; M298-L303 HydrophobicContact CB-CD2 3.6Å; M298-L303 HydrophobicContact CB-CG 3.66Å; M298-L303 HydrophobicContact CG-CD2 4.04Å; M298-G347 CarbonylContact O-C 3.52Å; M298-G347 VanDerWaalsContact O-CA 3.31Å; M298-G347 WeakPolarHBondContact O-CA 3.44Å; M298-Y348 PolarHBondContact N-O 3.45Å; M298-Y348 PolarHBondContact O-N 3.24Å
299	T	96.1	Very high	91.5	Very high	55 Å²	55	44 Å²	44	34%	0.337	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	158.8	174.5	71.5	0	0	0	0	110.5	E301 H302 L303 V346	T299-E301 VanDerWaalsContact C-N 3.3Å; T299-E301 PolarHBondContact O-N 2.71Å; T299-H302 PolarHBondContact O-N 2.96Å; T299-H302 WeakPolarHBondContact OG1-CB 3.12Å; T299-H302 PolarHBondContact OG1-N 3.37Å; T299-H302 VanDerWaalsContact OG1-N 3.15Å; T299-L303 WeakPolarHBondContact O-CG 3.43Å; T299-L303 PolarHBondContact O-N 3.4Å; T299-V346 HydrophobicContact CG2-CG1 4.28Å
300	R	94.1	Very high	90.1	Very high	43 Å²	43	50.3 Å²	50.3	16%	0.162	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-42	178.2	-70	173.1	175.4	66.9	10.6	111.7	H302 L303 L304 V316 D320 V346 Y348	R300-H302 VanDerWaalsContact C-N 3.31Å; R300-H302 PolarHBondContact O-N 2.81Å; R300-L303 PolarHBondContact O-N 3.48Å; R300-L304 WeakPolarHBondContact O-CB 3.23Å; R300-L304 PolarHBondContact O-N 2.86Å; R300-V316 HydrophobicContact CB-CB 3.91Å; R300-V316 HydrophobicContact CB-CG1 3.93Å; R300-D320 IonicContact CZ-OD1 2.85Å; R300-D320 IonicContact NE-OD1 2.66Å; R300-D320 PolarHBondContact NE-OD1 3.44Å; R300-D320 IonicContact NE-OD2 3.88Å; R300-D320 PolarHBondContact NE-OD2 3.39Å; R300-D320 IonicContact NH2-OD1 3.36Å; R300-V346 PolarHBondContact NH1-O 3.39Å; R300-Y348 HydrophobicContact CG-CE2 4.14Å; R300-Y348 PolarHBondContact NH2-OH 3.12Å; R300-Y348 VanDerWaalsContact NH2-OH 3.16Å
301	E	91.6	Very high	88.4	Confident	103 Å²	103	56.4 Å²	56.4	48%	0.481	29%	0.287	S	S	.	.	H	α-helix	trans	-63.3	-40.6	179.1	-60.5	72.7	-159.2	0	0	110.9	T299 L304 Q305 V316	T299-E301 VanDerWaalsContact C-N 3.3Å; T299-E301 PolarHBondContact O-N 2.71Å; E301-L304 WeakPolarHBondContact O-CB 3.28Å; E301-L304 PolarHBondContact O-N 2.85Å; E301-Q305 WeakPolarHBondContact O-CG 3.37Å; E301-Q305 PolarHBondContact O-N 3.24Å; E301-V316 HydrophobicContact CG-CG1 4.12Å
302	H	92.5	Very high	86.8	Confident	58 Å²	58	56.9 Å²	56.9	27%	0.269	29%	0.287	S	S	.	.	H	α-helix	trans	-66.6	-44.1	177.6	-179.2	74.9	0	0	0	112	Y289 M298 T299 R300 L304 Q305 T306	Y289-H302 AromaticContact CE1-CD2 3.99Å; Y289-H302 AromaticContact CE1-NE2 3.7Å; Y289-H302 AromaticContact CZ-NE2 3.54Å; Y289-H302 PolarHBondContact OH-NE2 3.09Å; M298-H302 VanDerWaalsContact SD-CD2 3.52Å; T299-H302 PolarHBondContact O-N 2.96Å; T299-H302 WeakPolarHBondContact OG1-CB 3.12Å; T299-H302 PolarHBondContact OG1-N 3.37Å; T299-H302 VanDerWaalsContact OG1-N 3.15Å; R300-H302 VanDerWaalsContact C-N 3.31Å; R300-H302 PolarHBondContact O-N 2.81Å; H302-L304 VanDerWaalsContact C-N 3.33Å; H302-Q305 PolarHBondContact O-N 3.11Å; H302-T306 PolarHBondContact CE1-OG1 3.27Å; H302-T306 PolarHBondContact NE2-OG1 3.32Å; H302-T306 WeakPolarHBondContact O-CB 3.39Å; H302-T306 PolarHBondContact O-N 3.19Å; H302-T306 PolarHBondContact O-OG1 2.82Å
303	L	93.2	Very high	85.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-41.9	175.3	-69.1	173.4	0	0	0	111.3	L286 Y289 L290 M298 T299 R300 Q305 T306 V307 V319 Y348	L286-L303 HydrophobicContact CD1-CB 4.39Å; L286-L303 HydrophobicContact CD1-CD1 4.16Å; L286-L303 HydrophobicContact CD1-CD2 3.87Å; L286-L303 HydrophobicContact CD1-CG 4.36Å; Y289-L303 HydrophobicContact CD1-CD2 3.72Å; Y289-L303 HydrophobicContact CE1-CD2 4.02Å; L290-L303 HydrophobicContact CD2-CD1 4.43Å; L290-L303 HydrophobicContact CD2-CD2 3.81Å; L290-L303 HydrophobicContact CG-CD2 4.21Å; M298-L303 HydrophobicContact CB-CD1 4.03Å; M298-L303 HydrophobicContact CB-CD2 3.6Å; M298-L303 HydrophobicContact CB-CG 3.66Å; M298-L303 HydrophobicContact CG-CD2 4.04Å; T299-L303 WeakPolarHBondContact O-CG 3.43Å; T299-L303 PolarHBondContact O-N 3.4Å; R300-L303 PolarHBondContact O-N 3.48Å; L303-Q305 PolarHBondContact O-N 3.24Å; L303-T306 PolarHBondContact O-N 3.37Å; L303-V307 WeakPolarHBondContact O-CB 3.11Å; L303-V307 WeakPolarHBondContact O-CG2 3.05Å; L303-V307 PolarHBondContact O-N 2.83Å; L303-V319 HydrophobicContact CB-CG1 4.01Å; L303-V319 HydrophobicContact CB-CG2 4.21Å; L303-V319 HydrophobicContact CD1-CG1 3.88Å; L303-Y348 HydrophobicContact CD1-CD2 4.05Å
304	L	87.9	Confident	84.1	Confident	13 Å²	13	56.7 Å²	56.7	7%	0.068	29%	0.291	C	S	.	.	I	π-helix	trans	-57.4	-52.4	175.7	-160.4	76.3	0	0	0	110.7	R300 E301 H302 T306 W308 G309 Y312 G314 V316 V319	R300-L304 WeakPolarHBondContact O-CB 3.23Å; R300-L304 PolarHBondContact O-N 2.86Å; E301-L304 WeakPolarHBondContact O-CB 3.28Å; E301-L304 PolarHBondContact O-N 2.85Å; H302-L304 VanDerWaalsContact C-N 3.33Å; L304-T306 PolarHBondContact O-N 3.06Å; L304-W308 HydrophobicContact CD1-CD2 4.4Å; L304-W308 HydrophobicContact CD1-CE3 4.35Å; L304-W308 WeakPolarHBondContact O-CA 3.25Å; L304-W308 WeakPolarHBondContact O-CB 3.4Å; L304-W308 PolarHBondContact O-N 2.83Å; L304-G309 PolarHBondContact O-N 3.29Å; L304-Y312 HydrophobicContact CD1-CD1 4.09Å; L304-Y312 HydrophobicContact CD1-CE1 3.63Å; L304-Y312 HydrophobicContact CD2-CD1 4.03Å; L304-Y312 HydrophobicContact CD2-CE1 4.1Å; L304-Y312 HydrophobicContact CG-CD1 3.75Å; L304-Y312 HydrophobicContact CG-CE1 3.82Å; L304-G314 WeakPolarHBondContact CD2-O 3.45Å; L304-V316 HydrophobicContact CD2-CG1 4.46Å; L304-V319 HydrophobicContact CB-CG2 4.09Å; L304-V319 HydrophobicContact CD1-CG2 3.68Å
305	Q	85.1	Confident	83.3	Confident	90 Å²	90	56 Å²	56	42%	0.421	29%	0.288	S	S	.	.	I	π-helix	trans	-65.6	-39.4	-179	-73	178	-16.3	0	0	113.1	E301 H302 L303 G309 Y310	E301-Q305 WeakPolarHBondContact O-CG 3.37Å; E301-Q305 PolarHBondContact O-N 3.24Å; H302-Q305 PolarHBondContact O-N 3.11Å; L303-Q305 PolarHBondContact O-N 3.24Å; Q305-G309 CarbonylContact O-C 3.6Å; Q305-G309 WeakPolarHBondContact O-CA 3.23Å; Q305-G309 PolarHBondContact O-N 3.15Å; Q305-Y310 HydrophobicContact CB-CD1 4.21Å; Q305-Y310 HydrophobicContact CB-CE1 4.43Å; Q305-Y310 PolarHBondContact O-N 2.75Å
306	T	84.2	Confident	82.9	Confident	37 Å²	37	55.6 Å²	55.6	23%	0.227	28%	0.276	C	S	.	.	I	π-helix	trans	-81.2	-42.1	-173.1	-50.1	0	0	0	0	111.8	Y289 H302 L303 L304	Y289-T306 HydrophobicContact CD2-CG2 3.69Å; Y289-T306 HydrophobicContact CE1-CG2 4.25Å; Y289-T306 HydrophobicContact CE2-CG2 3.23Å; Y289-T306 HydrophobicContact CG-CG2 4.39Å; H302-T306 PolarHBondContact CE1-OG1 3.27Å; H302-T306 PolarHBondContact NE2-OG1 3.32Å; H302-T306 WeakPolarHBondContact O-CB 3.39Å; H302-T306 PolarHBondContact O-N 3.19Å; H302-T306 PolarHBondContact O-OG1 2.82Å; L303-T306 PolarHBondContact O-N 3.37Å; L304-T306 PolarHBondContact O-N 3.06Å
307	V	85.4	Confident	82.2	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.012	27%	0.265	C	S	.	.	I	π-helix	trans	-79.2	-62.1	-179.9	178.8	0	0	0	0	108	R239 R282 E285 L286 Y289 L303 G309	R239-V307 PolarHBondContact NH2-O 3.48Å; R282-V307 VanDerWaalsContact NH1-C 3.34Å; R282-V307 VanDerWaalsContact NH1-CG1 3.27Å; R282-V307 PolarHBondContact NH1-O 2.81Å; R282-V307 PolarHBondContact NH2-O 3.43Å; E285-V307 HydrophobicContact CB-CG1 3.98Å; L286-V307 HydrophobicContact CB-CG1 4.28Å; L286-V307 HydrophobicContact CB-CG2 4.44Å; L286-V307 HydrophobicContact CD1-CG2 4.07Å; Y289-V307 HydrophobicContact CG-CG2 4.39Å; L303-V307 WeakPolarHBondContact O-CB 3.11Å; L303-V307 WeakPolarHBondContact O-CG2 3.05Å; L303-V307 PolarHBondContact O-N 2.83Å; V307-G309 PolarHBondContact O-N 2.79Å
308	W	82.4	Confident	81.5	Confident	1 Å²	1	51.3 Å²	51.3	0%	0.004	25%	0.249	C	C	.	.	I	π-helix	trans	-69.1	-32.6	-178.2	-73.1	-109.5	0	0	0	113.7	R239 R282 L304 Y312 T318 V319 T322	R239-W308 PolarHBondContact NH1-O 3.04Å; R239-W308 PolarHBondContact NH2-O 3.42Å; R282-W308 HydrophobicContact CG-CD2 4.42Å; R282-W308 HydrophobicContact CG-CH2 4.09Å; R282-W308 HydrophobicContact CG-CZ2 3.52Å; R282-W308 VanDerWaalsContact NH2-CA 3.34Å; L304-W308 HydrophobicContact CD1-CD2 4.4Å; L304-W308 HydrophobicContact CD1-CE3 4.35Å; L304-W308 WeakPolarHBondContact O-CA 3.25Å; L304-W308 WeakPolarHBondContact O-CB 3.4Å; L304-W308 PolarHBondContact O-N 2.83Å; W308-Y312 HydrophobicContact CB-CD1 3.67Å; W308-Y312 HydrophobicContact CB-CD2 3.89Å; W308-Y312 HydrophobicContact CB-CE1 4Å; W308-Y312 HydrophobicContact CB-CE2 4.24Å; W308-Y312 HydrophobicContact CB-CG 3.58Å; W308-Y312 AromaticContact CD1-CE1 3.94Å; W308-Y312 AromaticContact CD1-CE2 3.58Å; W308-Y312 AromaticContact CD1-CZ 3.5Å; W308-Y312 VanDerWaalsContact CD1-CZ 3.5Å; W308-Y312 HydrophobicContact CG-CD1 4.2Å; W308-Y312 HydrophobicContact CG-CD2 4.37Å; W308-Y312 HydrophobicContact CG-CE1 4.01Å; W308-Y312 HydrophobicContact CG-CE2 4.22Å; W308-Y312 HydrophobicContact CG-CG 4.35Å; W308-T318 HydrophobicContact CZ2-CG2 3.56Å; W308-V319 HydrophobicContact CE3-CG2 4.33Å; W308-V319 HydrophobicContact CH2-CG2 4.33Å; W308-V319 HydrophobicContact CZ3-CG2 3.84Å; W308-T322 HydrophobicContact CH2-CG2 4.18Å; W308-T322 WeakPolarHBondContact CZ2-OG1 3.45Å
309	G	75	Confident	81.1	Confident	9 Å²	9	50.5 Å²	50.5	9%	0.093	25%	0.246	C	C	.	.			trans	120.4	152.5	177.3	0	0	0	0	0	112.5	L304 Q305 V307 D311 Y312	L304-G309 PolarHBondContact O-N 3.29Å; Q305-G309 CarbonylContact O-C 3.6Å; Q305-G309 WeakPolarHBondContact O-CA 3.23Å; Q305-G309 PolarHBondContact O-N 3.15Å; V307-G309 PolarHBondContact O-N 2.79Å; G309-D311 PolarHBondContact O-N 2.96Å; G309-Y312 WeakPolarHBondContact O-CB 3.31Å; G309-Y312 PolarHBondContact O-N 3.26Å
310	Y	65.4	Low	80.9	Confident	175 Å²	175	50.3 Å²	50.3	69%	0.686	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-29.4	-174.6	-70.5	-79.8	0	0	0	114.3	Q305 Y312	Q305-Y310 HydrophobicContact CB-CD1 4.21Å; Q305-Y310 HydrophobicContact CB-CE1 4.43Å; Q305-Y310 PolarHBondContact O-N 2.75Å; Y310-Y312 VanDerWaalsContact C-N 3.27Å; Y310-Y312 PolarHBondContact O-N 3.22Å
311	D	61.4	Low	80.6	Confident	128 Å²	128	48.9 Å²	48.9	68%	0.684	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	5.3	179.4	-60.4	-31.1	0	0	0	113	G309 F313	G309-D311 PolarHBondContact O-N 2.96Å; D311-F313 WeakPolarHBondContact O-CD2 3.35Å; D311-F313 VanDerWaalsContact O-CE2 3.3Å; D311-F313 WeakPolarHBondContact O-CE2 3.32Å; D311-F313 PolarHBondContact O-N 3.45Å
312	Y	62.2	Low	80.5	Confident	16 Å²	16	44.5 Å²	44.5	6%	0.063	22%	0.219	C	C	.	.			trans	-81	119.2	-177.3	-179.2	-97.1	0	0	0	111.3	D219 R233 A236 L304 W308 G309 Y310 G314	D219-Y312 PolarHBondContact OD1-OH 3.4Å; D219-Y312 WeakPolarHBondContact OD2-CE2 3.33Å; D219-Y312 PolarHBondContact OD2-OH 2.96Å; R233-Y312 HydrophobicContact CG-CD2 4.44Å; R233-Y312 HydrophobicContact CG-CE2 4.38Å; A236-Y312 HydrophobicContact CB-CD2 4Å; L304-Y312 HydrophobicContact CD1-CD1 4.09Å; L304-Y312 HydrophobicContact CD1-CE1 3.63Å; L304-Y312 HydrophobicContact CD2-CD1 4.03Å; L304-Y312 HydrophobicContact CD2-CE1 4.1Å; L304-Y312 HydrophobicContact CG-CD1 3.75Å; L304-Y312 HydrophobicContact CG-CE1 3.82Å; W308-Y312 HydrophobicContact CB-CD1 3.67Å; W308-Y312 HydrophobicContact CB-CD2 3.89Å; W308-Y312 HydrophobicContact CB-CE1 4Å; W308-Y312 HydrophobicContact CB-CE2 4.24Å; W308-Y312 HydrophobicContact CB-CG 3.58Å; W308-Y312 AromaticContact CD1-CE1 3.94Å; W308-Y312 AromaticContact CD1-CE2 3.58Å; W308-Y312 AromaticContact CD1-CZ 3.5Å; W308-Y312 VanDerWaalsContact CD1-CZ 3.5Å; W308-Y312 HydrophobicContact CG-CD1 4.2Å; W308-Y312 HydrophobicContact CG-CD2 4.37Å; W308-Y312 HydrophobicContact CG-CE1 4.01Å; W308-Y312 HydrophobicContact CG-CE2 4.22Å; W308-Y312 HydrophobicContact CG-CG 4.35Å; G309-Y312 WeakPolarHBondContact O-CB 3.31Å; G309-Y312 PolarHBondContact O-N 3.26Å; Y310-Y312 VanDerWaalsContact C-N 3.27Å; Y310-Y312 PolarHBondContact O-N 3.22Å; Y312-G314 VanDerWaalsContact CD1-N 3.33Å; Y312-G314 PolarHBondContact O-N 2.79Å
313	F	62.9	Low	80.6	Confident	136 Å²	136	41.8 Å²	41.8	60%	0.596	21%	0.206	S	C	*	.			trans	-93.2	27.9	-176.9	-70.6	-86.2	0	0	0	113.6	E229 A232 R233 D311	E229-F313 HydrophobicContact CG-CB 3.79Å; E229-F313 HydrophobicContact CG-CD2 4.39Å; E229-F313 HydrophobicContact CG-CG 4.24Å; A232-F313 HydrophobicContact CB-CD2 4.37Å; R233-F313 PolarHBondContact NH2-O 3.08Å; D311-F313 WeakPolarHBondContact O-CD2 3.35Å; D311-F313 VanDerWaalsContact O-CE2 3.3Å; D311-F313 WeakPolarHBondContact O-CE2 3.32Å; D311-F313 PolarHBondContact O-N 3.45Å
314	G	67.7	Low	80.6	Confident	19 Å²	19	47.7 Å²	47.7	20%	0.196	23%	0.228	C	C	.	.			trans	-87.7	-178.9	-173	0	0	0	0	0	117.1	L304 Y312	L304-G314 WeakPolarHBondContact CD2-O 3.45Å; Y312-G314 VanDerWaalsContact CD1-N 3.33Å; Y312-G314 PolarHBondContact O-N 2.79Å
315	D	78	Confident	80.7	Confident	59 Å²	59	49 Å²	49	32%	0.316	23%	0.233	S	C	.	.			trans	-87.8	138.2	178.5	-168.2	-25.9	0	0	0	109.7	R317 T318	D315-R317 HydrophobicContact CB-CB 4.41Å; D315-R317 PolarHBondContact O-N 2.87Å; D315-R317 WeakPolarHBondContact OD1-CG 3.45Å; D315-R317 PolarHBondContact OD1-N 2.91Å; D315-R317 WeakPolarHBondContact OD2-CD 3.47Å; D315-R317 IonicContact OD2-NE 3.45Å; D315-T318 PolarHBondContact O-N 2.94Å; D315-T318 VanDerWaalsContact O-N 3.07Å; D315-T318 PolarHBondContact O-OG1 2.85Å
316	V	83.8	Confident	81.2	Confident	41 Å²	41	44.8 Å²	44.8	25%	0.248	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-18.8	172.8	-70	0	0	0	0	113	R300 E301 L304 T318 V319 D320	R300-V316 HydrophobicContact CB-CB 3.91Å; R300-V316 HydrophobicContact CB-CG1 3.93Å; E301-V316 HydrophobicContact CG-CG1 4.12Å; L304-V316 HydrophobicContact CD2-CG1 4.46Å; V316-T318 PolarHBondContact O-N 2.81Å; V316-V319 WeakPolarHBondContact O-CB 3.36Å; V316-V319 PolarHBondContact O-N 3.42Å; V316-V319 VanDerWaalsContact O-N 3.15Å; V316-D320 PolarHBondContact O-N 3.44Å
317	R	82	Confident	81.8	Confident	73 Å²	73	44.6 Å²	44.6	28%	0.275	21%	0.208	S	C	.	.	H	α-helix	trans	-60	-30.9	173.1	-71.9	179.5	-166.7	-117.4	-10.7	114.2	E206 D315 V319 D320 V321	E206-R317 VanDerWaalsContact CD-NH2 3.27Å; E206-R317 IonicContact OE1-CZ 3.91Å; E206-R317 IonicContact OE1-NH1 2.8Å; E206-R317 PolarHBondContact OE1-NH1 3.27Å; E206-R317 IonicContact OE1-NH2 2.97Å; E206-R317 PolarHBondContact OE1-NH2 3.13Å; D315-R317 HydrophobicContact CB-CB 4.41Å; D315-R317 PolarHBondContact O-N 2.87Å; D315-R317 WeakPolarHBondContact OD1-CG 3.45Å; D315-R317 PolarHBondContact OD1-N 2.91Å; D315-R317 WeakPolarHBondContact OD2-CD 3.47Å; D315-R317 IonicContact OD2-NE 3.45Å; R317-V319 PolarHBondContact O-N 3.47Å; R317-D320 PolarHBondContact O-N 3.44Å; R317-V321 WeakPolarHBondContact O-CG2 3.48Å; R317-V321 PolarHBondContact O-N 3.36Å
318	T	83.1	Confident	82.2	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-58.2	-40.9	176.3	-51.8	0	0	0	0	109.7	L213 D218 W308 D315 V316 D320 V321 T322	L213-T318 HydrophobicContact CD2-CG2 4.34Å; D218-T318 VanDerWaalsContact O-CG2 3.27Å; D218-T318 WeakPolarHBondContact O-CG2 3.42Å; W308-T318 HydrophobicContact CZ2-CG2 3.56Å; D315-T318 PolarHBondContact O-N 2.94Å; D315-T318 VanDerWaalsContact O-N 3.07Å; D315-T318 PolarHBondContact O-OG1 2.85Å; V316-T318 PolarHBondContact O-N 2.81Å; T318-D320 PolarHBondContact O-N 3.36Å; T318-V321 PolarHBondContact O-N 3.26Å; T318-T322 PolarHBondContact O-N 2.68Å; T318-T322 PolarHBondContact O-OG1 3.42Å
319	V	89.8	Confident	82.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-46.1	173.8	178.9	0	0	0	0	111.2	L303 L304 W308 V316 R317 V321 T322 V323 Y348	L303-V319 HydrophobicContact CB-CG1 4.01Å; L303-V319 HydrophobicContact CB-CG2 4.21Å; L303-V319 HydrophobicContact CD1-CG1 3.88Å; L304-V319 HydrophobicContact CB-CG2 4.09Å; L304-V319 HydrophobicContact CD1-CG2 3.68Å; W308-V319 HydrophobicContact CE3-CG2 4.33Å; W308-V319 HydrophobicContact CH2-CG2 4.33Å; W308-V319 HydrophobicContact CZ3-CG2 3.84Å; V316-V319 WeakPolarHBondContact O-CB 3.36Å; V316-V319 PolarHBondContact O-N 3.42Å; V316-V319 VanDerWaalsContact O-N 3.15Å; R317-V319 PolarHBondContact O-N 3.47Å; V319-V321 VanDerWaalsContact C-N 3.33Å; V319-V321 PolarHBondContact O-N 2.64Å; V319-T322 PolarHBondContact O-N 3.24Å; V319-V323 HydrophobicContact CG1-CG2 4.28Å; V319-V323 WeakPolarHBondContact O-CB 3.19Å; V319-V323 VanDerWaalsContact O-CG2 3.25Å; V319-V323 WeakPolarHBondContact O-CG2 3.47Å; V319-V323 PolarHBondContact O-N 2.66Å; V319-Y348 HydrophobicContact CG1-CD2 4.12Å; V319-Y348 HydrophobicContact CG1-CE2 4.09Å
320	D	91.6	Very high	83.7	Confident	50 Å²	50	53.1 Å²	53.1	27%	0.267	24%	0.244	S	C	.	.	H	α-helix	trans	-62.3	-40	-178.6	-68.5	-18.7	0	0	0	112	R300 V316 R317 T318 R324 Y348	R300-D320 IonicContact CZ-OD1 2.85Å; R300-D320 IonicContact NE-OD1 2.66Å; R300-D320 PolarHBondContact NE-OD1 3.44Å; R300-D320 IonicContact NE-OD2 3.88Å; R300-D320 PolarHBondContact NE-OD2 3.39Å; R300-D320 IonicContact NH2-OD1 3.36Å; V316-D320 PolarHBondContact O-N 3.44Å; R317-D320 PolarHBondContact O-N 3.44Å; T318-D320 PolarHBondContact O-N 3.36Å; D320-R324 PolarHBondContact O-N 2.94Å; D320-Y348 VanDerWaalsContact CG-OH 3.25Å; D320-Y348 WeakPolarHBondContact OD1-CE2 3.09Å; D320-Y348 VanDerWaalsContact OD1-CZ 3.23Å; D320-Y348 PolarHBondContact OD1-OH 2.69Å
321	V	87.3	Confident	85.1	Confident	13 Å²	13	45.3 Å²	45.3	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-70	-45.2	177.1	177.2	0	0	0	0	111.2	L213 E214 R317 T318 V319 V323 R324 R325	L213-V321 HydrophobicContact CB-CB 4.23Å; L213-V321 HydrophobicContact CB-CG1 4.02Å; L213-V321 HydrophobicContact CB-CG2 3.93Å; L213-V321 HydrophobicContact CD1-CG2 4.31Å; L213-V321 WeakPolarHBondContact O-CG1 3.45Å; E214-V321 HydrophobicContact CG-CG1 4.48Å; R317-V321 WeakPolarHBondContact O-CG2 3.48Å; R317-V321 PolarHBondContact O-N 3.36Å; T318-V321 PolarHBondContact O-N 3.26Å; V319-V321 VanDerWaalsContact C-N 3.33Å; V319-V321 PolarHBondContact O-N 2.64Å; V321-V323 VanDerWaalsContact C-N 3.3Å; V321-V323 PolarHBondContact O-N 3.2Å; V321-R324 WeakPolarHBondContact O-CB 3.4Å; V321-R324 PolarHBondContact O-N 3.36Å; V321-R324 VanDerWaalsContact O-N 3.11Å; V321-R325 WeakPolarHBondContact O-CG 3.44Å; V321-R325 PolarHBondContact O-N 2.99Å
322	T	89.6	Confident	86.6	Confident	11 Å²	11	45.2 Å²	45.2	7%	0.067	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-39.9	175.2	-51.5	0	0	0	0	111.4	E283 L286 W308 T318 V319 R324 R325 L326	E283-T322 HydrophobicContact CG-CG2 3.84Å; L286-T322 HydrophobicContact CD2-CG2 3.68Å; W308-T322 HydrophobicContact CH2-CG2 4.18Å; W308-T322 WeakPolarHBondContact CZ2-OG1 3.45Å; T318-T322 PolarHBondContact O-N 2.68Å; T318-T322 PolarHBondContact O-OG1 3.42Å; V319-T322 PolarHBondContact O-N 3.24Å; T322-R324 VanDerWaalsContact C-N 3.34Å; T322-R324 PolarHBondContact O-N 3.22Å; T322-R325 PolarHBondContact O-N 3.35Å; T322-L326 WeakPolarHBondContact O-CB 3.2Å; T322-L326 PolarHBondContact O-N 2.82Å
323	V	94.8	Very high	88.2	Confident	1 Å²	1	48 Å²	48	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-43.2	173.4	164.6	0	0	0	0	111.4	L286 V319 V321 L326 R327 L340 Y348	L286-V323 HydrophobicContact CD2-CG2 3.88Å; V319-V323 HydrophobicContact CG1-CG2 4.28Å; V319-V323 WeakPolarHBondContact O-CB 3.19Å; V319-V323 VanDerWaalsContact O-CG2 3.25Å; V319-V323 WeakPolarHBondContact O-CG2 3.47Å; V319-V323 PolarHBondContact O-N 2.66Å; V321-V323 VanDerWaalsContact C-N 3.3Å; V321-V323 PolarHBondContact O-N 3.2Å; V323-L326 PolarHBondContact O-N 3.02Å; V323-R327 WeakPolarHBondContact O-CG 3.45Å; V323-R327 PolarHBondContact O-N 3.06Å; V323-L340 HydrophobicContact CB-CD2 4.29Å; V323-L340 HydrophobicContact CG1-CD2 3.8Å; V323-L340 HydrophobicContact CG1-CG 4.05Å; V323-L340 HydrophobicContact CG2-CD2 4.28Å; V323-Y348 HydrophobicContact CB-CD1 4.45Å; V323-Y348 HydrophobicContact CB-CE1 4.22Å; V323-Y348 HydrophobicContact CG1-CD1 3.73Å; V323-Y348 HydrophobicContact CG1-CE1 3.57Å; V323-Y348 HydrophobicContact CG1-CG 4.38Å; V323-Y348 HydrophobicContact CG2-CD1 4.08Å; V323-Y348 HydrophobicContact CG2-CD2 3.79Å; V323-Y348 HydrophobicContact CG2-CE1 4.21Å; V323-Y348 HydrophobicContact CG2-CE2 3.93Å; V323-Y348 HydrophobicContact CG2-CG 3.87Å
324	R	92.8	Very high	89.6	Confident	124 Å²	124	43.8 Å²	43.8	47%	0.468	22%	0.215	S	C	.	.	H	α-helix	trans	-61.9	-48.8	177.9	176.8	178.7	174	175.5	-7.7	111.5	E214 D320 V321 T322 L326 R327 E328	E214-R324 IonicContact OE1-CZ 3.74Å; E214-R324 IonicContact OE1-NH1 2.87Å; E214-R324 PolarHBondContact OE1-NH1 3.1Å; D320-R324 PolarHBondContact O-N 2.94Å; V321-R324 WeakPolarHBondContact O-CB 3.4Å; V321-R324 PolarHBondContact O-N 3.36Å; V321-R324 VanDerWaalsContact O-N 3.11Å; T322-R324 VanDerWaalsContact C-N 3.34Å; T322-R324 PolarHBondContact O-N 3.22Å; R324-L326 PolarHBondContact O-N 2.94Å; R324-R327 WeakPolarHBondContact O-CB 3.37Å; R324-R327 PolarHBondContact O-N 2.82Å; R324-R327 VanDerWaalsContact O-N 3.13Å; R324-E328 IonicContact CZ-OE1 3.83Å; R324-E328 IonicContact NE-OE1 3.43Å; R324-E328 PolarHBondContact NE-OE1 3.48Å; R324-E328 VanDerWaalsContact NE-OE1 3.12Å; R324-E328 IonicContact NH2-OE1 3.1Å; R324-E328 WeakPolarHBondContact O-CG 3.42Å; R324-E328 PolarHBondContact O-N 3.01Å
325	R	91.1	Very high	90.8	Very high	42 Å²	42	47.7 Å²	47.7	16%	0.158	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-43.7	178	-67.6	171.8	167	-173	-15.5	111.9	L213 E214 G216 E283 V321 T322 R327 E328 K329	L213-R325 PolarHBondContact O-NE 3.07Å; L213-R325 PolarHBondContact O-NH1 2.8Å; L213-R325 PolarHBondContact O-NH2 3.47Å; E214-R325 PolarHBondContact O-NH2 3.03Å; G216-R325 PolarHBondContact O-NH1 3.02Å; E283-R325 WeakPolarHBondContact OE1-CB 3.19Å; V321-R325 WeakPolarHBondContact O-CG 3.44Å; V321-R325 PolarHBondContact O-N 2.99Å; T322-R325 PolarHBondContact O-N 3.35Å; R325-R327 VanDerWaalsContact C-N 3.29Å; R325-R327 PolarHBondContact O-N 3.44Å; R325-E328 WeakPolarHBondContact O-CB 3.33Å; R325-E328 PolarHBondContact O-N 3.15Å; R325-E328 VanDerWaalsContact O-N 3.12Å; R325-K329 WeakPolarHBondContact O-CG 3.11Å; R325-K329 PolarHBondContact O-N 3.41Å; R325-K329 VanDerWaalsContact O-N 3.16Å
326	L	94.3	Very high	91.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-54.6	-47	172.2	-89	174.6	0	0	0	111.4	L279 E283 L286 L287 T322 V323 R324 E328 K329 I330 L340	L279-L326 HydrophobicContact CD1-CD2 3.99Å; L279-L326 HydrophobicContact CD2-CD2 3.91Å; E283-L326 HydrophobicContact CB-CD2 3.62Å; E283-L326 HydrophobicContact CB-CG 3.86Å; E283-L326 HydrophobicContact CG-CD2 4.24Å; E283-L326 HydrophobicContact CG-CG 4.03Å; L286-L326 HydrophobicContact CB-CD1 4.1Å; L286-L326 HydrophobicContact CD2-CD1 3.72Å; L286-L326 HydrophobicContact CG-CD1 3.9Å; L287-L326 HydrophobicContact CB-CD1 4.27Å; L287-L326 HydrophobicContact CB-CD2 4.18Å; L287-L326 HydrophobicContact CD2-CD2 4.46Å; T322-L326 WeakPolarHBondContact O-CB 3.2Å; T322-L326 PolarHBondContact O-N 2.82Å; V323-L326 PolarHBondContact O-N 3.02Å; R324-L326 PolarHBondContact O-N 2.94Å; L326-E328 VanDerWaalsContact C-N 3.33Å; L326-E328 PolarHBondContact O-N 2.92Å; L326-K329 PolarHBondContact O-N 3.16Å; L326-I330 HydrophobicContact CD2-CG2 4.48Å; L326-I330 WeakPolarHBondContact O-CG1 3.47Å; L326-I330 PolarHBondContact O-N 3.27Å; L326-L340 HydrophobicContact CB-CD2 3.87Å; L326-L340 HydrophobicContact CD1-CD2 4.08Å
327	R	96.7	Very high	92.1	Very high	34 Å²	34	50.8 Å²	50.8	13%	0.128	25%	0.251	C	S	.	.	H	α-helix	trans	-61.7	-41.1	177.4	-73.2	175.9	175.1	161.1	-1	112.5	V323 R324 R325 K329 E331 P334 P337 L340 T342	V323-R327 WeakPolarHBondContact O-CG 3.45Å; V323-R327 PolarHBondContact O-N 3.06Å; R324-R327 WeakPolarHBondContact O-CB 3.37Å; R324-R327 PolarHBondContact O-N 2.82Å; R324-R327 VanDerWaalsContact O-N 3.13Å; R325-R327 VanDerWaalsContact C-N 3.29Å; R325-R327 PolarHBondContact O-N 3.44Å; R327-K329 PolarHBondContact O-N 3.36Å; R327-E331 HydrophobicContact CB-CG 3.86Å; R327-E331 HydrophobicContact CG-CG 3.87Å; R327-E331 VanDerWaalsContact O-CB 3.22Å; R327-E331 WeakPolarHBondContact O-CB 3.13Å; R327-E331 PolarHBondContact O-N 3.41Å; R327-P334 HydrophobicContact CB-CB 4.06Å; R327-P337 HydrophobicContact CG-CB 4.26Å; R327-L340 HydrophobicContact CG-CB 4.3Å; R327-L340 HydrophobicContact CG-CD2 4.25Å; R327-L340 HydrophobicContact CG-CG 4.43Å; R327-L340 PolarHBondContact NE-O 3.4Å; R327-L340 PolarHBondContact NH2-O 2.66Å; R327-T342 PolarHBondContact NH1-OG1 3.12Å; R327-T342 PolarHBondContact NH2-OG1 3.14Å
328	E	94.2	Very high	92.7	Very high	109 Å²	109	49.6 Å²	49.6	51%	0.509	25%	0.252	S	S	.	.	H	α-helix	trans	-58.9	-24.9	175.7	-70.8	170.3	-175.2	0	0	112.5	R324 R325 L326 P334	R324-E328 IonicContact CZ-OE1 3.83Å; R324-E328 IonicContact NE-OE1 3.43Å; R324-E328 PolarHBondContact NE-OE1 3.48Å; R324-E328 VanDerWaalsContact NE-OE1 3.12Å; R324-E328 IonicContact NH2-OE1 3.1Å; R324-E328 WeakPolarHBondContact O-CG 3.42Å; R324-E328 PolarHBondContact O-N 3.01Å; R325-E328 WeakPolarHBondContact O-CB 3.33Å; R325-E328 PolarHBondContact O-N 3.15Å; R325-E328 VanDerWaalsContact O-N 3.12Å; L326-E328 VanDerWaalsContact C-N 3.33Å; L326-E328 PolarHBondContact O-N 2.92Å; E328-P334 HydrophobicContact CG-CB 4.29Å; E328-P334 HydrophobicContact CG-CG 4.34Å
329	K	93.5	Very high	93.4	Very high	82 Å²	82	49.7 Å²	49.7	36%	0.357	25%	0.252	S	S	.	.	H	α-helix	trans	-97.5	-38.5	-179.7	-62.5	179.9	179.4	-166.3	0	114.5	I277 E278 L279 E283 R325 L326 R327	I277-K329 HydrophobicContact CG2-CB 3.97Å; E278-K329 WeakPolarHBondContact O-CD 3.42Å; E278-K329 PolarHBondContact O-NZ 3.24Å; L279-K329 HydrophobicContact CD2-CB 4.14Å; L279-K329 HydrophobicContact CD2-CD 3.57Å; E283-K329 IonicContact OE1-NZ 3.59Å; E283-K329 PolarHBondContact OE1-NZ 3Å; E283-K329 IonicContact OE2-NZ 2.75Å; E283-K329 PolarHBondContact OE2-NZ 3.12Å; R325-K329 WeakPolarHBondContact O-CG 3.11Å; R325-K329 PolarHBondContact O-N 3.41Å; R325-K329 VanDerWaalsContact O-N 3.16Å; L326-K329 PolarHBondContact O-N 3.16Å; R327-K329 PolarHBondContact O-N 3.36Å
330	I	95.3	Very high	93.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-102.8	-23.7	-171.2	78.2	-175.4	0	0	0	114.1	L261 K272 I277 L287 L326 L340	L261-I330 HydrophobicContact CD1-CB 4.23Å; L261-I330 HydrophobicContact CD1-CD1 4.34Å; L261-I330 HydrophobicContact CD2-CB 4.22Å; K272-I330 PolarHBondContact NZ-O 2.79Å; I277-I330 HydrophobicContact CD1-CG2 4.17Å; L287-I330 HydrophobicContact CD1-CD1 3.95Å; L287-I330 HydrophobicContact CD2-CG2 4.39Å; L326-I330 HydrophobicContact CD2-CG2 4.48Å; L326-I330 WeakPolarHBondContact O-CG1 3.47Å; L326-I330 PolarHBondContact O-N 3.27Å; I330-L340 HydrophobicContact CD1-CB 4.24Å
331	E	95.9	Very high	94	Very high	11 Å²	11	48.3 Å²	48.3	5%	0.051	25%	0.246	C	C	.	.			trans	-93.5	140.1	-176.5	-58.4	-76.4	-174.9	0	0	111.2	R327 N333 P337 T338 Y339 L340	R327-E331 HydrophobicContact CB-CG 3.86Å; R327-E331 HydrophobicContact CG-CG 3.87Å; R327-E331 VanDerWaalsContact O-CB 3.22Å; R327-E331 WeakPolarHBondContact O-CB 3.13Å; R327-E331 PolarHBondContact O-N 3.41Å; E331-N333 PolarHBondContact O-N 3.06Å; E331-P337 VanDerWaalsContact CD-CA 3.46Å; E331-P337 HydrophobicContact CG-CB 3.94Å; E331-P337 WeakPolarHBondContact OE1-CB 3.48Å; E331-P337 WeakPolarHBondContact OE2-CA 3.06Å; E331-T338 PolarHBondContact OE1-N 2.85Å; E331-T338 PolarHBondContact OE2-N 2.87Å; E331-T338 PolarHBondContact OE2-OG1 3.09Å; E331-Y339 WeakPolarHBondContact OE1-CA 3.44Å; E331-Y339 WeakPolarHBondContact OE1-CB 3.32Å; E331-Y339 PolarHBondContact OE1-N 3.22Å; E331-Y339 PolarHBondContact OE2-N 2.64Å; E331-L340 PolarHBondContact OE1-N 3.4Å
332	D	93	Very high	94.4	Very high	125 Å²	125	50 Å²	50	67%	0.668	26%	0.256	S	S	*	.	S	Bend	trans	-68.7	-29.8	172.4	-56	-52.5	0	0	0	111.6	K272	K272-D332 IonicContact NZ-OD1 3.84Å; K272-D332 PolarHBondContact NZ-OD1 3.42Å; K272-D332 IonicContact NZ-OD2 2.7Å; K272-D332 PolarHBondContact NZ-OD2 3.16Å; K272-D332 VanDerWaalsContact NZ-OD2 3.14Å
333	N	94	Very high	94.7	Very high	76 Å²	76	56.4 Å²	56.4	41%	0.406	28%	0.279	S	S	.	.	S	Bend	trans	-133.6	99.8	170.3	-172.8	-23.2	0	0	0	110.1	E331 S335 H336	E331-N333 PolarHBondContact O-N 3.06Å; N333-S335 PolarHBondContact O-N 2.84Å; N333-S335 VanDerWaalsContact O-N 3.08Å; N333-S335 WeakPolarHBondContact OD1-CB 3.11Å; N333-S335 PolarHBondContact OD1-N 3.12Å; N333-S335 VanDerWaalsContact OD1-N 3.09Å; N333-H336 HydrophobicContact CB-CB 4.32Å; N333-H336 CarbonylContact O-C 3.53Å; N333-H336 WeakPolarHBondContact O-CA 3.49Å; N333-H336 PolarHBondContact O-N 3.01Å; N333-H336 PolarHBondContact OD1-N 3.14Å
334	P	92.5	Very high	94.6	Very high	46 Å²	46	67.5 Å²	67.5	30%	0.299	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.9	-177.7	-25.6	34.3	0	0	0	114.3	R327 E328	R327-P334 HydrophobicContact CB-CB 4.06Å; E328-P334 HydrophobicContact CG-CB 4.29Å; E328-P334 HydrophobicContact CG-CG 4.34Å
335	S	92.6	Very high	94.5	Very high	101 Å²	101	65.5 Å²	65.5	71%	0.706	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-20.1	176.8	-63.1	0	0	0	0	113.2	N333 P337	N333-S335 PolarHBondContact O-N 2.84Å; N333-S335 VanDerWaalsContact O-N 3.08Å; N333-S335 WeakPolarHBondContact OD1-CB 3.11Å; N333-S335 PolarHBondContact OD1-N 3.12Å; N333-S335 VanDerWaalsContact OD1-N 3.09Å; S335-P337 VanDerWaalsContact C-CD 3.42Å
336	H	93.4	Very high	94.6	Very high	141 Å²	141	66.5 Å²	66.5	65%	0.653	35%	0.349	S	S	*	.	S	Bend	trans	-126.4	63.6	176.2	-69.5	-78.7	0	0	0	110.1	N333 T338	N333-H336 HydrophobicContact CB-CB 4.32Å; N333-H336 CarbonylContact O-C 3.53Å; N333-H336 WeakPolarHBondContact O-CA 3.49Å; N333-H336 PolarHBondContact O-N 3.01Å; N333-H336 PolarHBondContact OD1-N 3.14Å; H336-T338 PolarHBondContact O-N 2.7Å
337	P	95.8	Very high	94.6	Very high	24 Å²	24	66.5 Å²	66.5	16%	0.156	35%	0.349	C	S	.	.			trans	-64.5	133.8	-172	28.7	-37	0	0	0	111.2	R327 E331 S335 L340	R327-P337 HydrophobicContact CG-CB 4.26Å; E331-P337 VanDerWaalsContact CD-CA 3.46Å; E331-P337 HydrophobicContact CG-CB 3.94Å; E331-P337 WeakPolarHBondContact OE1-CB 3.48Å; E331-P337 WeakPolarHBondContact OE2-CA 3.06Å; S335-P337 VanDerWaalsContact C-CD 3.42Å; P337-L340 WeakPolarHBondContact CB-O 3.16Å
338	T	95.4	Very high	94.7	Very high	49 Å²	49	65.5 Å²	65.5	30%	0.301	35%	0.346	S	S	.	.	S	Bend	trans	-103.4	-28.4	177.6	60.2	0	0	0	0	111.9	E331 H336 R351	E331-T338 PolarHBondContact OE1-N 2.85Å; E331-T338 PolarHBondContact OE2-N 2.87Å; E331-T338 PolarHBondContact OE2-OG1 3.09Å; H336-T338 PolarHBondContact O-N 2.7Å; T338-R351 WeakPolarHBondContact O-CD 3.38Å; T338-R351 WeakPolarHBondContact O-CG 3.47Å; T338-R351 PolarHBondContact O-NE 2.96Å
339	Y	96.9	Very high	94.9	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.016	33%	0.33	C	S	.	.	S	Bend	trans	-90.7	-63.3	177.3	-67	-82.7	0	0	0	112	I258 D260 L261 E331 V341 L350 R351 P353	I258-Y339 HydrophobicContact CG2-CD1 4.12Å; I258-Y339 HydrophobicContact CG2-CE1 4.36Å; I258-Y339 WeakPolarHBondContact O-CE1 3.18Å; D260-Y339 PolarHBondContact N-OH 3.24Å; D260-Y339 VanDerWaalsContact N-OH 3.16Å; D260-Y339 PolarHBondContact OD2-OH 3.48Å; L261-Y339 HydrophobicContact CD1-CD1 3.57Å; L261-Y339 HydrophobicContact CD1-CD2 4.03Å; L261-Y339 HydrophobicContact CD1-CE1 3.86Å; L261-Y339 HydrophobicContact CD1-CE2 4.3Å; L261-Y339 HydrophobicContact CD1-CG 3.65Å; L261-Y339 HydrophobicContact CG-CD1 4.33Å; L261-Y339 HydrophobicContact CG-CE1 4.11Å; E331-Y339 WeakPolarHBondContact OE1-CA 3.44Å; E331-Y339 WeakPolarHBondContact OE1-CB 3.32Å; E331-Y339 PolarHBondContact OE1-N 3.22Å; E331-Y339 PolarHBondContact OE2-N 2.64Å; Y339-V341 PolarHBondContact O-N 3.38Å; Y339-L350 CarbonylContact O-C 3.59Å; Y339-L350 WeakPolarHBondContact O-CA 3.38Å; Y339-R351 PolarHBondContact O-N 2.85Å; Y339-P353 VanDerWaalsContact CD1-CD 3.48Å; Y339-P353 HydrophobicContact CD1-CG 3.9Å; Y339-P353 HydrophobicContact CD2-CG 4.47Å; Y339-P353 HydrophobicContact CE1-CG 3.4Å; Y339-P353 HydrophobicContact CE2-CG 4.04Å; Y339-P353 HydrophobicContact CG-CG 4.42Å; Y339-P353 VanDerWaalsContact CZ-CG 3.49Å
340	L	97.6	Very high	95	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	93.3	-173.1	179.4	53.6	0	0	0	110.3	L290 V323 L326 R327 I330 E331 P337 L350	L290-L340 HydrophobicContact CD1-CD1 3.46Å; L290-L340 VanDerWaalsContact CD1-CD1 3.46Å; V323-L340 HydrophobicContact CB-CD2 4.29Å; V323-L340 HydrophobicContact CG1-CD2 3.8Å; V323-L340 HydrophobicContact CG1-CG 4.05Å; V323-L340 HydrophobicContact CG2-CD2 4.28Å; L326-L340 HydrophobicContact CB-CD2 3.87Å; L326-L340 HydrophobicContact CD1-CD2 4.08Å; R327-L340 HydrophobicContact CG-CB 4.3Å; R327-L340 HydrophobicContact CG-CD2 4.25Å; R327-L340 HydrophobicContact CG-CG 4.43Å; R327-L340 PolarHBondContact NE-O 3.4Å; R327-L340 PolarHBondContact NH2-O 2.66Å; I330-L340 HydrophobicContact CD1-CB 4.24Å; E331-L340 PolarHBondContact OE1-N 3.4Å; P337-L340 WeakPolarHBondContact CB-O 3.16Å; L340-L350 HydrophobicContact CB-CD1 4.11Å
341	V	96.5	Very high	95	Very high	21 Å²	21	61.8 Å²	61.8	13%	0.127	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	144.5	-167.8	-175.9	0	0	0	0	112.4	Y339 Y348 Y349 R351	Y339-V341 PolarHBondContact O-N 3.38Å; V341-Y348 WeakPolarHBondContact O-CA 3.45Å; V341-Y349 HydrophobicContact CB-CD1 4.17Å; V341-Y349 HydrophobicContact CB-CE1 3.63Å; V341-Y349 HydrophobicContact CB-CE2 4.11Å; V341-Y349 HydrophobicContact CG1-CE1 3.62Å; V341-Y349 WeakPolarHBondContact CG1-OH 3Å; V341-Y349 PolarHBondContact N-O 2.67Å; V341-Y349 WeakPolarHBondContact O-CD1 3.42Å; V341-Y349 PolarHBondContact O-N 3.18Å; V341-R351 HydrophobicContact CG2-CG 3.93Å
342	T	97	Very high	94.9	Very high	50 Å²	50	62.5 Å²	62.5	31%	0.307	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.1	174.4	-59	0	0	0	0	111.1	R327 R344 Y348	R327-T342 PolarHBondContact NH1-OG1 3.12Å; R327-T342 PolarHBondContact NH2-OG1 3.14Å; T342-R344 PolarHBondContact O-N 3.26Å; T342-Y348 HydrophobicContact CG2-CD1 4.48Å; T342-Y348 HydrophobicContact CG2-CE1 4.11Å; T342-Y348 WeakPolarHBondContact OG1-CE1 3.38Å
343	R	95.9	Very high	94.6	Very high	145 Å²	145	58.4 Å²	58.4	55%	0.547	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	102	160.2	-167.3	73.4	174.6	-171	-1.9	108.5	V297 G345 V346 G347 Y349	V297-R343 HydrophobicContact CG1-CB 3.61Å; V297-R343 HydrophobicContact CG1-CG 4.01Å; V297-R343 HydrophobicContact CG2-CB 4.09Å; V297-R343 HydrophobicContact CG2-CG 4.17Å; R343-G345 PolarHBondContact O-N 2.82Å; R343-V346 HydrophobicContact CB-CB 4.23Å; R343-V346 HydrophobicContact CG-CB 4.05Å; R343-V346 HydrophobicContact CG-CG2 4.05Å; R343-V346 PolarHBondContact O-N 2.86Å; R343-G347 PolarHBondContact N-O 2.88Å; R343-G347 PolarHBondContact O-N 3.48Å; R343-Y349 HydrophobicContact CB-CD1 4.41Å; R343-Y349 HydrophobicContact CB-CE1 4.39Å
344	R	92.1	Very high	94.1	Very high	234 Å²	234	60.9 Å²	60.9	88%	0.883	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	131.2	-175.6	-69	-173.4	179.5	-179.5	0.2	111.5	T342 V346	T342-R344 PolarHBondContact O-N 3.26Å; R344-V346 PolarHBondContact O-N 3.47Å
345	G	90.3	Very high	93.2	Very high	81 Å²	81	66.3 Å²	66.3	84%	0.835	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	-0.2	-179.5	0	0	0	0	0	115.5	R343	R343-G345 PolarHBondContact O-N 2.82Å
346	V	93.1	Very high	91.2	Very high	63 Å²	63	71.9 Å²	71.9	38%	0.382	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-60.2	-178.4	-171.5	0	0	0	0	110.7	V297 T299 R300 R343 R344	V297-V346 HydrophobicContact CG1-CB 4.09Å; V297-V346 HydrophobicContact CG1-CG1 3.61Å; T299-V346 HydrophobicContact CG2-CG1 4.28Å; R300-V346 PolarHBondContact NH1-O 3.39Å; R343-V346 HydrophobicContact CB-CB 4.23Å; R343-V346 HydrophobicContact CG-CB 4.05Å; R343-V346 HydrophobicContact CG-CG2 4.05Å; R343-V346 PolarHBondContact O-N 2.86Å; R344-V346 PolarHBondContact O-N 3.47Å
347	G	95.9	Very high	91	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.5	-138.2	-173.8	0	0	0	0	0	112.3	M298 R343	M298-G347 CarbonylContact O-C 3.52Å; M298-G347 VanDerWaalsContact O-CA 3.31Å; M298-G347 WeakPolarHBondContact O-CA 3.44Å; R343-G347 PolarHBondContact N-O 2.88Å; R343-G347 PolarHBondContact O-N 3.48Å
348	Y	98.1	Very high	90.8	Very high	14 Å²	14	70.7 Å²	70.7	6%	0.055	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	153.8	-168.4	-56.6	-79.3	0	0	0	111.8	M298 R300 L303 V319 D320 V323 V341 T342	M298-Y348 PolarHBondContact N-O 3.45Å; M298-Y348 PolarHBondContact O-N 3.24Å; R300-Y348 HydrophobicContact CG-CE2 4.14Å; R300-Y348 PolarHBondContact NH2-OH 3.12Å; R300-Y348 VanDerWaalsContact NH2-OH 3.16Å; L303-Y348 HydrophobicContact CD1-CD2 4.05Å; V319-Y348 HydrophobicContact CG1-CD2 4.12Å; V319-Y348 HydrophobicContact CG1-CE2 4.09Å; D320-Y348 VanDerWaalsContact CG-OH 3.25Å; D320-Y348 WeakPolarHBondContact OD1-CE2 3.09Å; D320-Y348 VanDerWaalsContact OD1-CZ 3.23Å; D320-Y348 PolarHBondContact OD1-OH 2.69Å; V323-Y348 HydrophobicContact CB-CD1 4.45Å; V323-Y348 HydrophobicContact CB-CE1 4.22Å; V323-Y348 HydrophobicContact CG1-CD1 3.73Å; V323-Y348 HydrophobicContact CG1-CE1 3.57Å; V323-Y348 HydrophobicContact CG1-CG 4.38Å; V323-Y348 HydrophobicContact CG2-CD1 4.08Å; V323-Y348 HydrophobicContact CG2-CD2 3.79Å; V323-Y348 HydrophobicContact CG2-CE1 4.21Å; V323-Y348 HydrophobicContact CG2-CE2 3.93Å; V323-Y348 HydrophobicContact CG2-CG 3.87Å; V341-Y348 WeakPolarHBondContact O-CA 3.45Å; T342-Y348 HydrophobicContact CG2-CD1 4.48Å; T342-Y348 HydrophobicContact CG2-CE1 4.11Å; T342-Y348 WeakPolarHBondContact OG1-CE1 3.38Å
349	Y	97.2	Very high	90.5	Very high	45 Å²	45	71.9 Å²	71.9	18%	0.176	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	150.8	172.3	65.3	-76	0	0	0	109.7	Q296 V297 V341 R343 R351	Q296-Y349 WeakPolarHBondContact O-CB 3.46Å; V297-Y349 HydrophobicContact CG2-CD1 3.94Å; V297-Y349 HydrophobicContact CG2-CG 4.25Å; V341-Y349 HydrophobicContact CB-CD1 4.17Å; V341-Y349 HydrophobicContact CB-CE1 3.63Å; V341-Y349 HydrophobicContact CB-CE2 4.11Å; V341-Y349 HydrophobicContact CG1-CE1 3.62Å; V341-Y349 WeakPolarHBondContact CG1-OH 3Å; V341-Y349 PolarHBondContact N-O 2.67Å; V341-Y349 WeakPolarHBondContact O-CD1 3.42Å; V341-Y349 PolarHBondContact O-N 3.18Å; R343-Y349 HydrophobicContact CB-CD1 4.41Å; R343-Y349 HydrophobicContact CB-CE1 4.39Å; Y349-R351 HydrophobicContact CD2-CB 4.24Å; Y349-R351 HydrophobicContact CE2-CB 4.01Å; Y349-R351 HydrophobicContact CE2-CG 4.46Å
350	L	97.3	Very high	90.2	Very high	1 Å²	1	75.9 Å²	75.9	1%	0.005	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	140.7	168.9	-158.4	69	0	0	0	108.8	I258 L287 L290 A291 G295 Y339 L340	I258-L350 HydrophobicContact CD1-CD2 3.33Å; I258-L350 HydrophobicContact CD1-CG 4.26Å; L287-L350 HydrophobicContact CD1-CD1 3.75Å; L287-L350 HydrophobicContact CD1-CD2 3.83Å; L290-L350 HydrophobicContact CB-CB 3.92Å; A291-L350 HydrophobicContact CB-CD2 3.75Å; G295-L350 PolarHBondContact N-O 3.21Å; Y339-L350 CarbonylContact O-C 3.59Å; Y339-L350 WeakPolarHBondContact O-CA 3.38Å; L340-L350 HydrophobicContact CB-CD1 4.11Å
351	R	94.4	Very high	89.7	Confident	67 Å²	67	80.7 Å²	80.7	25%	0.253	40%	0.395	S	S	.	.			trans	-132.1	157	173.2	71.5	172.9	-177.8	163.6	-0.8	110.5	T338 Y339 V341 Y349 P353 E356	T338-R351 WeakPolarHBondContact O-CD 3.38Å; T338-R351 WeakPolarHBondContact O-CG 3.47Å; T338-R351 PolarHBondContact O-NE 2.96Å; Y339-R351 PolarHBondContact O-N 2.85Å; V341-R351 HydrophobicContact CG2-CG 3.93Å; Y349-R351 HydrophobicContact CD2-CB 4.24Å; Y349-R351 HydrophobicContact CE2-CB 4.01Å; Y349-R351 HydrophobicContact CE2-CG 4.46Å; R351-P353 WeakPolarHBondContact O-CD 3.47Å; R351-E356 IonicContact NH1-OE1 3.14Å; R351-E356 PolarHBondContact NH1-OE1 2.85Å; R351-E356 VanDerWaalsContact NH1-OE1 3.09Å
352	N	92.9	Very high	89.2	Confident	26 Å²	26	84.7 Å²	84.7	14%	0.139	41%	0.413	C	S	.	.			trans	-88.2	116.4	169	-173.6	-20.3	0	0	0	109	I258 G259 I294 E354 Q355	I258-N352 HydrophobicContact CG2-CB 3.97Å; G259-N352 PolarHBondContact N-ND2 3.49Å; G259-N352 PolarHBondContact N-OD1 3.1Å; I294-N352 HydrophobicContact CD1-CB 4.21Å; N352-E354 PolarHBondContact O-N 3.4Å; N352-E354 WeakPolarHBondContact OD1-CB 3.42Å; N352-E354 PolarHBondContact OD1-N 3.08Å; N352-Q355 HydrophobicContact CB-CB 4.46Å; N352-Q355 HydrophobicContact CB-CG 4.04Å; N352-Q355 PolarHBondContact O-N 3.42Å
353	P	87.4	Confident	88.7	Confident	39 Å²	39	87.1 Å²	87.1	25%	0.253	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-69.1	-18.1	-179.3	27.4	-33.5	0	0	0	114.3	Y339 R351 Q355	Y339-P353 VanDerWaalsContact CD1-CD 3.48Å; Y339-P353 HydrophobicContact CD1-CG 3.9Å; Y339-P353 HydrophobicContact CD2-CG 4.47Å; Y339-P353 HydrophobicContact CE1-CG 3.4Å; Y339-P353 HydrophobicContact CE2-CG 4.04Å; Y339-P353 HydrophobicContact CG-CG 4.42Å; Y339-P353 VanDerWaalsContact CZ-CG 3.49Å; R351-P353 WeakPolarHBondContact O-CD 3.47Å; P353-Q355 VanDerWaalsContact C-N 3.33Å
354	E	83.3	Confident	88.1	Confident	128 Å²	128	82.7 Å²	82.7	60%	0.598	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-83.1	-7	178.9	-58	-172	143	0	0	113.8	N352 E356	N352-E354 PolarHBondContact O-N 3.4Å; N352-E354 WeakPolarHBondContact OD1-CB 3.42Å; N352-E354 PolarHBondContact OD1-N 3.08Å; E354-E356 VanDerWaalsContact C-N 3.32Å; E354-E356 PolarHBondContact O-N 3.17Å
355	Q	73.1	Confident	87.8	Confident	159 Å²	159	70.1 Å²	70.1	74%	0.743	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-88.3	11.7	-177.9	-73.5	-175.5	-14.6	0	0	114.3	N352 P353	N352-Q355 HydrophobicContact CB-CB 4.46Å; N352-Q355 HydrophobicContact CB-CG 4.04Å; N352-Q355 PolarHBondContact O-N 3.42Å; P353-Q355 VanDerWaalsContact C-N 3.33Å
356	E	50.7	Low	87.6	Confident	218 Å²	218	69.1 Å²	69.1	100%	1.019	33%	0.329	S	S	*	.			trans	-105.4	0	167.6	-80.7	178.2	-163.1	0	0	111	R351 E354	R351-E356 IonicContact NH1-OE1 3.14Å; R351-E356 PolarHBondContact NH1-OE1 2.85Å; R351-E356 VanDerWaalsContact NH1-OE1 3.09Å; E354-E356 VanDerWaalsContact C-N 3.32Å; E354-E356 PolarHBondContact O-N 3.17Å

Retrieved 356 of 356 residues in 307.1 ms (Link to these results)

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