A0A096NWU4_PAPAN Loading...

HSPB1-associated protein 1

May play a role in cellular stress response.

AlphaFold DB , UniProt , Accession A0A096NWU4, Species PAPAN (Papio anubis, Olive baboon), Gene HSPBAP1, Length 488 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	34.1	Very low	30.2	Very low	240 Å²	240	132.8 Å²	132.8	100%	1.182	86%	0.863	S	S	*	*				0	127.3	0	-75.1	-141.7	-89.6	0	0	107.9
2	A	31.5	Very low	30.2	Very low	97 Å²	97	134.8 Å²	134.8	80%	0.802	86%	0.858	S	S	*	*			trans	51	106.3	164.6	0	0	0	0	0	118.1
3	A	30	Very low	30.1	Very low	109 Å²	109	137.4 Å²	137.4	90%	0.901	86%	0.86	S	S	*	*				73.8	127.8	81.9	0	0	0	0	0	113.1
4	G	28	Very low	30.4	Very low	74 Å²	74	133.9 Å²	133.9	76%	0.763	85%	0.851	S	S	*	*			cis	179.6	-177.2	-0.1	0	0	0	0	0	113.8
5	S	30.2	Very low	30.4	Very low	119 Å²	119	132.3 Å²	132.3	83%	0.832	86%	0.855	S	S	*	*			trans	62.2	87.1	155.9	-163.3	0	0	0	0	117.5
6	E	32.3	Very low	30.2	Very low	190 Å²	190	128.8 Å²	128.8	89%	0.888	85%	0.85	S	S	*	*				54.4	117.9	72.9	-86.2	-177.1	-176.2	0	0	116.8
7	A	29.6	Very low	30.3	Very low	101 Å²	101	127.2 Å²	127.2	84%	0.835	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-93.9	134	-179.8	0	0	0	0	0	110.4
8	T	30.9	Very low	30.5	Very low	147 Å²	147	124.6 Å²	124.6	90%	0.902	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-98.4	116.2	-179.9	15.7	0	0	0	0	111.6
9	T	27.9	Very low	30.5	Very low	125 Å²	125	121.7 Å²	121.7	77%	0.767	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-72.8	155.8	156.8	-1.6	0	0	0	0	109.8
10	P	30.7	Very low	30.8	Very low	124 Å²	124	125.2 Å²	125.2	81%	0.805	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-83.7	141	-160.8	33	-31.8	0	0	0	113
11	V	27.6	Very low	31.3	Very low	135 Å²	135	128.5 Å²	128.5	82%	0.818	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-97.5	129.4	172.5	173	0	0	0	0	109.4
12	I	30.4	Very low	32	Very low	156 Å²	156	119.5 Å²	119.5	80%	0.8	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-63.1	129.6	169.5	-65.6	166.6	0	0	0	109.5
13	L	28.7	Very low	33.3	Very low	169 Å²	169	123.2 Å²	123.2	89%	0.885	82%	0.817	S	S	*	*			trans	-126	113.5	160.3	-88.6	165.4	0	0	0	108.8
14	A	33.8	Very low	35.5	Very low	89 Å²	89	125.7 Å²	125.7	74%	0.736	81%	0.809	S	S	*	*			trans	-88.2	139.8	165	0	0	0	0	0	109.6
15	A	30.6	Very low	38.5	Very low	110 Å²	110	127.6 Å²	127.6	91%	0.909	81%	0.806	S	S	*	*			trans	144.1	128.3	139.1	0	0	0	0	0	112
16	G	27.1	Very low	41.5	Very low	75 Å²	75	123.8 Å²	123.8	77%	0.773	77%	0.774	S	S	*	*			trans	151.9	96.3	153.3	0	0	0	0	0	115.8
17	A	31.8	Very low	44.5	Very low	103 Å²	103	117 Å²	117	85%	0.851	75%	0.746	S	S	*	*			trans	67	107.7	160.2	0	0	0	0	0	116
18	G	33.7	Very low	47.7	Very low	80 Å²	80	113.1 Å²	113.1	83%	0.825	71%	0.711	S	S	*	*				68.6	45.7	55.4	0	0	0	0	0	110.4	E20	G18-E20 PolarHBondContact O-N 3.46Å
19	G	31.2	Very low	50.8	Low	70 Å²	70	109.8 Å²	109.8	72%	0.722	69%	0.69	S	S	*	*			trans	-75.8	112.4	160.1	0	0	0	0	0	106.8	E21	G19-E21 PolarHBondContact O-N 3.12Å; G19-E21 VanDerWaalsContact O-N 3.12Å
20	E	37.3	Very low	54.1	Low	190 Å²	190	105.9 Å²	105.9	89%	0.888	67%	0.667	S	S	*	*			trans	-47.5	119.1	163.3	-66.9	171.7	156.9	0	0	107.2	G18 G22	G18-E20 PolarHBondContact O-N 3.46Å; E20-G22 PolarHBondContact O-N 2.75Å
21	E	41.1	Very low	57.3	Low	196 Å²	196	106.3 Å²	106.3	92%	0.916	66%	0.658	S	S	*	*			trans	-64.3	78.3	158.6	-77.3	-178.5	165.5	0	0	105.7	G19 E23	G19-E21 PolarHBondContact O-N 3.12Å; G19-E21 VanDerWaalsContact O-N 3.12Å; E21-E23 PolarHBondContact O-N 3.18Å
22	G	48.5	Very low	60.5	Low	50 Å²	50	103.2 Å²	103.2	52%	0.515	63%	0.634	S	S	.	*			trans	-57	122.6	166.7	0	0	0	0	0	106	E20 H24	E20-G22 PolarHBondContact O-N 2.75Å; G22-H24 PolarHBondContact O-N 2.92Å
23	E	59.3	Low	63.7	Low	176 Å²	176	95.8 Å²	95.8	82%	0.822	60%	0.596	S	S	*	*			trans	-45.6	116.1	170.2	-83	-179.4	147.3	0	0	107	E21 V25	E21-E23 PolarHBondContact O-N 3.18Å; E23-V25 HydrophobicContact CB-CG2 4.16Å; E23-V25 WeakPolarHBondContact O-CG2 3.47Å; E23-V25 PolarHBondContact O-N 2.82Å
24	H	75.1	Confident	67	Low	161 Å²	161	91.9 Å²	91.9	75%	0.745	57%	0.572	S	S	*	*			trans	-65.7	98.2	170.3	-84.4	-65.2	0	0	0	105.8	G22 F51	G22-H24 PolarHBondContact O-N 2.92Å; H24-F51 HydrophobicContact CB-CD2 4.29Å; H24-F51 HydrophobicContact CB-CE2 3.74Å; H24-F51 HydrophobicContact CB-CZ 3.95Å; H24-F51 WeakPolarHBondContact O-CE2 3.45Å; H24-F51 WeakPolarHBondContact O-CZ 3.02Å
25	V	90.2	Very high	69.9	Low	113 Å²	113	92.8 Å²	92.8	69%	0.685	56%	0.561	S	S	*	*			trans	-86.3	137.8	177.4	-179.2	0	0	0	0	108.2	E23	E23-V25 HydrophobicContact CB-CG2 4.16Å; E23-V25 WeakPolarHBondContact O-CG2 3.47Å; E23-V25 PolarHBondContact O-N 2.82Å
26	K	94.3	Very high	73	Confident	40 Å²	40	87.5 Å²	87.5	17%	0.174	52%	0.517	C	S	.	.			trans	-61	139.7	175	-74.2	175.2	-177.3	154.4	0	110.5	F28 M49 F51 D52 D150	K26-F28 PolarHBondContact O-N 2.78Å; K26-M49 HydrophobicContact CB-SD 4.14Å; K26-M49 VanDerWaalsContact CE-O 3.25Å; K26-M49 WeakPolarHBondContact CE-O 3.22Å; K26-F51 HydrophobicContact CG-CE1 3.67Å; K26-F51 HydrophobicContact CG-CZ 3.96Å; K26-D52 VanDerWaalsContact CE-CG 3.44Å; K26-D52 WeakPolarHBondContact CE-OD1 3.35Å; K26-D52 WeakPolarHBondContact CE-OD2 3.12Å; K26-D52 VanDerWaalsContact NZ-CG 3.29Å; K26-D52 IonicContact NZ-OD1 2.98Å; K26-D52 PolarHBondContact NZ-OD1 3.18Å; K26-D52 IonicContact NZ-OD2 2.81Å; K26-D52 PolarHBondContact NZ-OD2 3.34Å; K26-D150 HydrophobicContact CD-CB 4.32Å; K26-D150 IonicContact NZ-OD1 2.96Å; K26-D150 PolarHBondContact NZ-OD1 3.25Å; K26-D150 IonicContact NZ-OD2 2.66Å; K26-D150 PolarHBondContact NZ-OD2 3.08Å
27	P	94.8	Very high	76.3	Confident	46 Å²	46	84.1 Å²	84.1	30%	0.299	48%	0.481	S	S	.	.	S	Bend	trans	-58.4	-31.4	-178.7	-26.4	34	0	0	0	114.2	N48 D391	P27-N48 VanDerWaalsContact CD-O 3.22Å; P27-N48 WeakPolarHBondContact CD-O 3.18Å; P27-N48 HydrophobicContact CG-CB 3.96Å; P27-D391 HydrophobicContact CB-CB 3.51Å; P27-D391 HydrophobicContact CG-CB 3.6Å; P27-D391 VanDerWaalsContact CG-CG 3.4Å
28	F	96.2	Very high	79.3	Confident	21 Å²	21	83.2 Å²	83.2	9%	0.092	46%	0.46	C	S	.	.	S	Bend	trans	-126	139.2	179.8	-52	-70.2	0	0	0	110.2	K26 K32 A33 I36 F46 M49 D391 L392	K26-F28 PolarHBondContact O-N 2.78Å; F28-K32 HydrophobicContact CB-CB 4.42Å; F28-K32 HydrophobicContact CD1-CG 4.09Å; F28-A33 HydrophobicContact CB-CB 4.15Å; F28-I36 HydrophobicContact CD1-CD1 3.68Å; F28-I36 HydrophobicContact CE1-CD1 3.74Å; F28-I36 HydrophobicContact CG-CD1 4.13Å; F28-I36 HydrophobicContact CZ-CD1 4.24Å; F28-F46 AromaticContact CD2-CD1 3.96Å; F28-F46 HydrophobicContact CD2-CD1 3.96Å; F28-F46 HydrophobicContact CD2-CE1 4.18Å; F28-F46 HydrophobicContact CE2-CD1 4.05Å; F28-F46 HydrophobicContact CE2-CE1 4.35Å; F28-M49 HydrophobicContact CB-CE 4.29Å; F28-M49 HydrophobicContact CB-SD 3.99Å; F28-M49 HydrophobicContact CD2-CG 4.33Å; F28-M49 HydrophobicContact CD2-SD 3.84Å; F28-M49 HydrophobicContact CG-SD 4.41Å; F28-D391 HydrophobicContact CE2-CB 4.11Å; F28-D391 HydrophobicContact CZ-CB 4.36Å; F28-L392 HydrophobicContact CE2-CB 4.14Å; F28-L392 HydrophobicContact CZ-CB 3.85Å
29	T	96.8	Very high	82.1	Confident	77 Å²	77	82.4 Å²	82.4	47%	0.472	44%	0.442	S	S	.	.			trans	-68.1	158.6	165.7	77.5	0	0	0	0	109.6	E31 K32 A33	T29-E31 WeakPolarHBondContact CB-OE2 3.25Å; T29-E31 PolarHBondContact O-N 2.94Å; T29-E31 PolarHBondContact OG1-OE2 2.91Å; T29-K32 PolarHBondContact O-N 3.42Å; T29-K32 PolarHBondContact OG1-N 3.32Å; T29-A33 WeakPolarHBondContact O-CB 3.49Å; T29-A33 PolarHBondContact O-N 2.74Å
30	P	97.6	Very high	85.1	Confident	43 Å²	43	80.5 Å²	80.5	28%	0.279	42%	0.415	S	S	.	.	H	α-helix	trans	-48.5	-44	173.8	-32.6	39.2	0	0	0	113.9	A33 K34 S149 G152	P30-A33 PolarHBondContact O-N 3.28Å; P30-K34 WeakPolarHBondContact O-CB 3.49Å; P30-K34 PolarHBondContact O-N 2.86Å; P30-S149 WeakPolarHBondContact CB-O 3.25Å; P30-G152 WeakPolarHBondContact O-CA 3.27Å; P30-G152 PolarHBondContact O-N 3.31Å
31	E	97.3	Very high	87.8	Confident	133 Å²	133	78.2 Å²	78.2	62%	0.621	41%	0.405	S	S	*	.	H	α-helix	trans	-65.3	-43.3	-179.7	-58.6	69.2	-148.2	0	0	110.9	T29 K34 E35	T29-E31 WeakPolarHBondContact CB-OE2 3.25Å; T29-E31 PolarHBondContact O-N 2.94Å; T29-E31 PolarHBondContact OG1-OE2 2.91Å; E31-K34 PolarHBondContact O-N 3.07Å; E31-E35 PolarHBondContact O-N 2.85Å
32	K	95.9	Very high	90.4	Very high	70 Å²	70	74.1 Å²	74.1	30%	0.304	39%	0.386	S	S	.	.	H	α-helix	trans	-69.5	-41.2	179.5	-173.4	62.7	-170.9	175	0	111.8	F28 T29 K34 E35 I36	F28-K32 HydrophobicContact CB-CB 4.42Å; F28-K32 HydrophobicContact CD1-CG 4.09Å; T29-K32 PolarHBondContact O-N 3.42Å; T29-K32 PolarHBondContact OG1-N 3.32Å; K32-K34 VanDerWaalsContact C-N 3.3Å; K32-K34 PolarHBondContact O-N 3.21Å; K32-E35 VanDerWaalsContact CD-OE2 3.28Å; K32-E35 WeakPolarHBondContact CD-OE2 3.34Å; K32-E35 IonicContact NZ-OE1 2.83Å; K32-E35 PolarHBondContact NZ-OE1 3.34Å; K32-E35 IonicContact NZ-OE2 2.85Å; K32-E35 PolarHBondContact NZ-OE2 2.96Å; K32-E35 PolarHBondContact O-N 3.07Å; K32-I36 HydrophobicContact CG-CD1 4.08Å; K32-I36 VanDerWaalsContact O-CG1 3.26Å; K32-I36 WeakPolarHBondContact O-CG1 3.44Å; K32-I36 PolarHBondContact O-N 2.66Å
33	A	97.1	Very high	92.8	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-59.8	-43	175.7	0	0	0	0	0	111	F28 T29 P30 I36 I37 M49 F151	F28-A33 HydrophobicContact CB-CB 4.15Å; T29-A33 WeakPolarHBondContact O-CB 3.49Å; T29-A33 PolarHBondContact O-N 2.74Å; P30-A33 PolarHBondContact O-N 3.28Å; A33-I36 PolarHBondContact O-N 2.81Å; A33-I37 VanDerWaalsContact O-CG1 3.29Å; A33-I37 WeakPolarHBondContact O-CG1 2.91Å; A33-I37 PolarHBondContact O-N 2.97Å; A33-M49 HydrophobicContact CB-CE 4.08Å; A33-F151 HydrophobicContact CB-CD1 4.38Å
34	K	96.9	Very high	94.6	Very high	87 Å²	87	63.5 Å²	63.5	38%	0.378	32%	0.323	S	S	.	.	H	α-helix	trans	-62.6	-46.8	174.1	-169.4	-178.2	-164	159.5	0	112.6	P30 E31 K32 I36 I37 M38 F151 G152 F153	P30-K34 WeakPolarHBondContact O-CB 3.49Å; P30-K34 PolarHBondContact O-N 2.86Å; E31-K34 PolarHBondContact O-N 3.07Å; K32-K34 VanDerWaalsContact C-N 3.3Å; K32-K34 PolarHBondContact O-N 3.21Å; K34-I36 VanDerWaalsContact C-N 3.26Å; K34-I36 PolarHBondContact O-N 2.98Å; K34-I37 PolarHBondContact O-N 3.06Å; K34-M38 HydrophobicContact CG-CE 4.42Å; K34-M38 HydrophobicContact CG-CG 4.11Å; K34-M38 WeakPolarHBondContact O-CB 3.49Å; K34-M38 WeakPolarHBondContact O-CG 3.38Å; K34-M38 PolarHBondContact O-N 3.18Å; K34-F151 PolarHBondContact N-O 2.86Å; K34-G152 WeakPolarHBondContact CD-O 3.16Å; K34-G152 PolarHBondContact NZ-O 3.1Å; K34-F153 HydrophobicContact CG-CZ 4.48Å
35	E	96.1	Very high	95.7	Very high	107 Å²	107	56.5 Å²	56.5	50%	0.5	29%	0.291	S	S	.	.	H	α-helix	trans	-56.2	-43.6	177.1	-172.1	-157.7	141.5	0	0	111.1	E31 K32 S39	E31-E35 PolarHBondContact O-N 2.85Å; K32-E35 VanDerWaalsContact CD-OE2 3.28Å; K32-E35 WeakPolarHBondContact CD-OE2 3.34Å; K32-E35 IonicContact NZ-OE1 2.83Å; K32-E35 PolarHBondContact NZ-OE1 3.34Å; K32-E35 IonicContact NZ-OE2 2.85Å; K32-E35 PolarHBondContact NZ-OE2 2.96Å; K32-E35 PolarHBondContact O-N 3.07Å; E35-S39 VanDerWaalsContact O-CB 3.3Å; E35-S39 WeakPolarHBondContact O-CB 3.35Å; E35-S39 PolarHBondContact O-N 3.4Å; E35-S39 VanDerWaalsContact O-N 3.1Å; E35-S39 PolarHBondContact O-OG 2.68Å
36	I	95.3	Very high	96.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-53.6	175.8	-68	166.4	0	0	0	110.2	F28 K32 A33 K34 M38 S39 L40 F46 F388 L392	F28-I36 HydrophobicContact CD1-CD1 3.68Å; F28-I36 HydrophobicContact CE1-CD1 3.74Å; F28-I36 HydrophobicContact CG-CD1 4.13Å; F28-I36 HydrophobicContact CZ-CD1 4.24Å; K32-I36 HydrophobicContact CG-CD1 4.08Å; K32-I36 VanDerWaalsContact O-CG1 3.26Å; K32-I36 WeakPolarHBondContact O-CG1 3.44Å; K32-I36 PolarHBondContact O-N 2.66Å; A33-I36 PolarHBondContact O-N 2.81Å; K34-I36 VanDerWaalsContact C-N 3.26Å; K34-I36 PolarHBondContact O-N 2.98Å; I36-M38 VanDerWaalsContact C-N 3.27Å; I36-M38 PolarHBondContact O-N 2.96Å; I36-S39 PolarHBondContact O-N 3.18Å; I36-S39 VanDerWaalsContact O-N 3.1Å; I36-S39 PolarHBondContact O-OG 3.28Å; I36-S39 VanDerWaalsContact O-OG 3.09Å; I36-L40 HydrophobicContact CG2-CD1 3.42Å; I36-L40 VanDerWaalsContact CG2-CD1 3.42Å; I36-L40 HydrophobicContact CG2-CG 3.78Å; I36-L40 WeakPolarHBondContact O-CB 3.3Å; I36-L40 VanDerWaalsContact O-CG 3.26Å; I36-L40 WeakPolarHBondContact O-CG 3.5Å; I36-L40 PolarHBondContact O-N 3.09Å; I36-F46 HydrophobicContact CB-CZ 4.32Å; I36-F46 HydrophobicContact CG2-CE1 4.13Å; I36-F46 HydrophobicContact CG2-CZ 3.68Å; I36-F388 HydrophobicContact CD1-CD1 3.95Å; I36-F388 HydrophobicContact CD1-CE1 4.35Å; I36-F388 HydrophobicContact CG1-CD1 3.96Å; I36-F388 HydrophobicContact CG1-CE1 3.84Å; I36-L392 HydrophobicContact CG2-CD1 4.3Å; I36-L392 HydrophobicContact CG2-CD2 3.65Å
37	I	95.8	Very high	96.2	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-57.2	-41.1	-178.8	-72.7	165.4	0	0	0	111.8	A33 K34 S39 F46 F151 F153 L183 F250	A33-I37 VanDerWaalsContact O-CG1 3.29Å; A33-I37 WeakPolarHBondContact O-CG1 2.91Å; A33-I37 PolarHBondContact O-N 2.97Å; K34-I37 PolarHBondContact O-N 3.06Å; I37-S39 VanDerWaalsContact C-N 3.32Å; I37-S39 PolarHBondContact O-N 2.92Å; I37-F46 HydrophobicContact CD1-CZ 4.31Å; I37-F46 HydrophobicContact CG1-CE2 4.03Å; I37-F46 HydrophobicContact CG1-CZ 3.78Å; I37-F151 HydrophobicContact CD1-CB 3.94Å; I37-F151 HydrophobicContact CD1-CD1 3.89Å; I37-F151 HydrophobicContact CD1-CG 4.37Å; I37-F153 HydrophobicContact CD1-CE2 3.9Å; I37-F153 HydrophobicContact CD1-CZ 4.43Å; I37-F153 HydrophobicContact CG2-CZ 4.12Å; I37-L183 HydrophobicContact CD1-CD1 3.95Å; I37-L183 HydrophobicContact CD1-CD2 3.84Å; I37-L183 HydrophobicContact CD1-CG 4.46Å; I37-L183 HydrophobicContact CG1-CD2 4.29Å; I37-F250 HydrophobicContact CG1-CD2 4.44Å; I37-F250 HydrophobicContact CG2-CD2 4.14Å; I37-F250 HydrophobicContact CG2-CE2 3.71Å; I37-F250 HydrophobicContact CG2-CZ 4.32Å; I37-F250 VanDerWaalsContact O-CZ 3.31Å; I37-F250 WeakPolarHBondContact O-CZ 3.17Å
38	M	94.7	Very high	96.3	Very high	83 Å²	83	51.7 Å²	51.7	41%	0.409	26%	0.262	S	S	.	.	H	α-helix	trans	-78	-15.8	-178.2	-64	-61.7	168.2	0	0	113.5	K34 I36 F153 I273 L275	K34-M38 HydrophobicContact CG-CE 4.42Å; K34-M38 HydrophobicContact CG-CG 4.11Å; K34-M38 WeakPolarHBondContact O-CB 3.49Å; K34-M38 WeakPolarHBondContact O-CG 3.38Å; K34-M38 PolarHBondContact O-N 3.18Å; I36-M38 VanDerWaalsContact C-N 3.27Å; I36-M38 PolarHBondContact O-N 2.96Å; M38-F153 HydrophobicContact CE-CE1 3.45Å; M38-F153 VanDerWaalsContact CE-CE1 3.45Å; M38-F153 HydrophobicContact CE-CZ 3.66Å; M38-I273 HydrophobicContact CE-CG2 3.95Å; M38-L275 HydrophobicContact CE-CD2 4.48Å; M38-L275 HydrophobicContact SD-CD2 4Å
39	S	93.8	Very high	96.3	Very high	63 Å²	63	50.8 Å²	50.8	44%	0.441	26%	0.258	S	S	.	.	H	α-helix	trans	-103.3	-29.3	179.8	57.8	0	0	0	0	113.5	E35 I36 I37 Q41	E35-S39 VanDerWaalsContact O-CB 3.3Å; E35-S39 WeakPolarHBondContact O-CB 3.35Å; E35-S39 PolarHBondContact O-N 3.4Å; E35-S39 VanDerWaalsContact O-N 3.1Å; E35-S39 PolarHBondContact O-OG 2.68Å; I36-S39 PolarHBondContact O-N 3.18Å; I36-S39 VanDerWaalsContact O-N 3.1Å; I36-S39 PolarHBondContact O-OG 3.28Å; I36-S39 VanDerWaalsContact O-OG 3.09Å; I37-S39 VanDerWaalsContact C-N 3.32Å; I37-S39 PolarHBondContact O-N 2.92Å; S39-Q41 PolarHBondContact O-N 2.96Å; S39-Q41 PolarHBondContact O-NE2 3.1Å
40	L	93.5	Very high	96.3	Very high	30 Å²	30	47.1 Å²	47.1	16%	0.157	24%	0.235	C	C	.	.			trans	-65.5	126	-178.4	-78.6	178.4	0	0	0	112.1	I36 A44 F250 F388 L392	I36-L40 HydrophobicContact CG2-CD1 3.42Å; I36-L40 VanDerWaalsContact CG2-CD1 3.42Å; I36-L40 HydrophobicContact CG2-CG 3.78Å; I36-L40 WeakPolarHBondContact O-CB 3.3Å; I36-L40 VanDerWaalsContact O-CG 3.26Å; I36-L40 WeakPolarHBondContact O-CG 3.5Å; I36-L40 PolarHBondContact O-N 3.09Å; L40-A44 HydrophobicContact CD1-CB 3.85Å; L40-F250 HydrophobicContact CB-CD1 4.11Å; L40-F250 HydrophobicContact CB-CE1 3.54Å; L40-F250 HydrophobicContact CB-CZ 4.44Å; L40-F250 HydrophobicContact CD1-CD1 3.93Å; L40-F250 HydrophobicContact CD1-CE1 4.2Å; L40-F388 HydrophobicContact CD2-CE2 4.27Å; L40-L392 HydrophobicContact CD1-CD2 4.29Å
41	Q	94	Very high	96.3	Very high	143 Å²	143	47.8 Å²	47.8	67%	0.668	23%	0.234	S	C	*	.			trans	-98.6	-4.1	173.9	-57.8	-57	-52.6	0	0	112.9	S39 W255	S39-Q41 PolarHBondContact O-N 2.96Å; S39-Q41 PolarHBondContact O-NE2 3.1Å; Q41-W255 PolarHBondContact O-NE1 3.2Å
42	Q	95.8	Very high	96.2	Very high	110 Å²	110	44.7 Å²	44.7	51%	0.514	22%	0.222	S	C	.	.	S	Bend	trans	-127.2	151.7	-177	-63.6	-174.9	-2.6	0	0	110.8	P252 W255	Q42-P252 VanDerWaalsContact C-CG 3.42Å; Q42-W255 HydrophobicContact CB-CZ2 4.25Å; Q42-W255 HydrophobicContact CG-CZ2 4.08Å
43	P	97.9	Very high	96.3	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	21%	0.207	C	C	.	.			trans	-62.9	140.6	177	-18.6	29.5	0	0	0	111.2	L195 L249 F250 P252 W255 V395	P43-L195 HydrophobicContact CB-CD1 4.03Å; P43-L195 HydrophobicContact CB-CD2 4.36Å; P43-L195 HydrophobicContact CG-CB 4.35Å; P43-L195 HydrophobicContact CG-CD1 4.18Å; P43-L195 HydrophobicContact CG-CD2 3.96Å; P43-L195 HydrophobicContact CG-CG 4.4Å; P43-L249 HydrophobicContact CB-CD1 4.44Å; P43-F250 VanDerWaalsContact CA-O 3.26Å; P43-F250 WeakPolarHBondContact CA-O 3.5Å; P43-F250 WeakPolarHBondContact CB-O 3.47Å; P43-P252 HydrophobicContact CG-CG 4.44Å; P43-W255 VanDerWaalsContact CD-CE2 3.46Å; P43-W255 VanDerWaalsContact CD-CZ3 3.48Å; P43-W255 HydrophobicContact CG-CD2 3.59Å; P43-W255 HydrophobicContact CG-CE3 3.33Å; P43-W255 HydrophobicContact CG-CG 4.26Å; P43-W255 HydrophobicContact CG-CH2 4.02Å; P43-W255 HydrophobicContact CG-CZ2 4.26Å; P43-W255 HydrophobicContact CG-CZ3 3.55Å; P43-V395 HydrophobicContact CB-CB 4.1Å; P43-V395 HydrophobicContact CB-CG2 3.76Å; P43-V395 PolarHBondContact O-N 2.98Å
44	A	97.8	Very high	96.4	Very high	2 Å²	2	43.8 Å²	43.8	2%	0.017	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	153.7	178.7	0	0	0	0	0	110.7	L40 F250 L392 V393	L40-A44 HydrophobicContact CD1-CB 3.85Å; A44-F250 PolarHBondContact N-O 2.77Å; A44-F250 PolarHBondContact O-N 3.11Å; A44-L392 HydrophobicContact CB-CD1 3.86Å; A44-L392 HydrophobicContact CB-CG 4.18Å; A44-V393 CarbonylContact C-O 3.56Å; A44-V393 WeakPolarHBondContact CA-O 2.91Å
45	I	98.4	Very high	96.4	Very high	13 Å²	13	39.6 Å²	39.6	7%	0.067	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.8	177	-48.6	165.4	0	0	0	107.9	V241 L243 Q247 V248 L249 L392 V393 V395	I45-V241 HydrophobicContact CD1-CB 4.38Å; I45-V241 HydrophobicContact CD1-CG2 3.3Å; I45-V241 HydrophobicContact CG1-CG2 4.03Å; I45-L243 HydrophobicContact CG2-CD1 4.14Å; I45-Q247 HydrophobicContact CG2-CB 3.76Å; I45-Q247 HydrophobicContact CG2-CG 4.09Å; I45-V248 CarbonylContact C-O 3.56Å; I45-V248 WeakPolarHBondContact CA-O 3.28Å; I45-L249 HydrophobicContact CG1-CD1 4.4Å; I45-L392 WeakPolarHBondContact O-CA 3.35Å; I45-V393 HydrophobicContact CB-CB 4.35Å; I45-V393 HydrophobicContact CD1-CB 4.49Å; I45-V393 PolarHBondContact N-O 2.66Å; I45-V393 PolarHBondContact O-N 3.36Å; I45-V395 HydrophobicContact CG1-CG2 4.33Å
46	F	98.3	Very high	96.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	119.7	164.5	-68.6	-98.2	0	0	0	108.9	F28 I36 I37 M49 F151 V248 F250 D391 L392	F28-F46 AromaticContact CD2-CD1 3.96Å; F28-F46 HydrophobicContact CD2-CD1 3.96Å; F28-F46 HydrophobicContact CD2-CE1 4.18Å; F28-F46 HydrophobicContact CE2-CD1 4.05Å; F28-F46 HydrophobicContact CE2-CE1 4.35Å; I36-F46 HydrophobicContact CB-CZ 4.32Å; I36-F46 HydrophobicContact CG2-CE1 4.13Å; I36-F46 HydrophobicContact CG2-CZ 3.68Å; I37-F46 HydrophobicContact CD1-CZ 4.31Å; I37-F46 HydrophobicContact CG1-CE2 4.03Å; I37-F46 HydrophobicContact CG1-CZ 3.78Å; F46-M49 HydrophobicContact CB-CG 4.06Å; F46-M49 HydrophobicContact CD1-CG 4.18Å; F46-F151 HydrophobicContact CB-CE1 3.91Å; F46-F151 HydrophobicContact CB-CZ 4.4Å; F46-F151 AromaticContact CD1-CE1 3.97Å; F46-F151 HydrophobicContact CD1-CE1 3.97Å; F46-F151 HydrophobicContact CD2-CE1 4.12Å; F46-F151 AromaticContact CG-CE1 3.75Å; F46-F151 HydrophobicContact CG-CE1 3.75Å; F46-V248 HydrophobicContact CB-CB 4.28Å; F46-V248 PolarHBondContact N-O 3.05Å; F46-V248 PolarHBondContact O-N 3.49Å; F46-F250 HydrophobicContact CD2-CB 4.36Å; F46-F250 HydrophobicContact CE2-CB 3.94Å; F46-D391 WeakPolarHBondContact CA-O 3.37Å; F46-L392 HydrophobicContact CD1-CD1 3.71Å; F46-L392 HydrophobicContact CD2-CD1 3.84Å; F46-L392 HydrophobicContact CE1-CD1 3.6Å; F46-L392 HydrophobicContact CE2-CD1 3.71Å; F46-L392 HydrophobicContact CG-CD1 3.84Å; F46-L392 HydrophobicContact CZ-CD1 3.59Å
47	C	96.9	Very high	96.5	Very high	19 Å²	19	45.2 Å²	45.2	13%	0.128	23%	0.227	C	C	.	.			trans	-97.2	151.8	172.6	-63.9	0	0	0	0	109.5	M49 D391	C47-M49 PolarHBondContact O-N 3.18Å; C47-D391 PolarHBondContact N-O 3.38Å
48	N	95.6	Very high	96.6	Very high	80 Å²	80	45.4 Å²	45.4	43%	0.428	23%	0.227	S	C	.	.	S	Bend	trans	56.7	20.8	170.4	-52.9	-43.8	0	0	0	115.9	P27 F51 D391	P27-N48 VanDerWaalsContact CD-O 3.22Å; P27-N48 WeakPolarHBondContact CD-O 3.18Å; P27-N48 HydrophobicContact CG-CB 3.96Å; N48-F51 WeakPolarHBondContact O-CD1 3.49Å; N48-F51 WeakPolarHBondContact O-CE1 3.41Å; N48-D391 PolarHBondContact ND2-OD1 2.99Å
49	M	97.2	Very high	96.7	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.222	C	C	.	.	S	Bend	trans	-88.1	-17.1	175.8	-77.6	-64.8	-67.9	0	0	113.6	K26 F28 A33 F46 C47 D150 F151	K26-M49 HydrophobicContact CB-SD 4.14Å; K26-M49 VanDerWaalsContact CE-O 3.25Å; K26-M49 WeakPolarHBondContact CE-O 3.22Å; F28-M49 HydrophobicContact CB-CE 4.29Å; F28-M49 HydrophobicContact CB-SD 3.99Å; F28-M49 HydrophobicContact CD2-CG 4.33Å; F28-M49 HydrophobicContact CD2-SD 3.84Å; F28-M49 HydrophobicContact CG-SD 4.41Å; A33-M49 HydrophobicContact CB-CE 4.08Å; F46-M49 HydrophobicContact CB-CG 4.06Å; F46-M49 HydrophobicContact CD1-CG 4.18Å; C47-M49 PolarHBondContact O-N 3.18Å; M49-D150 WeakPolarHBondContact CE-O 3.49Å; M49-F151 HydrophobicContact CB-CE1 4.08Å; M49-F151 HydrophobicContact CB-CE2 4.25Å; M49-F151 HydrophobicContact CB-CZ 3.56Å; M49-F151 HydrophobicContact CE-CD1 4.43Å; M49-F151 HydrophobicContact CE-CE1 4.33Å; M49-F151 HydrophobicContact CG-CE1 4.16Å; M49-F151 HydrophobicContact CG-CZ 4.16Å
50	V	97.5	Very high	96.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-125	21.9	-169.1	-57.2	0	0	0	0	112.8	D52 W53 R56 F151 F185 G246 V248	V50-D52 PolarHBondContact O-N 2.91Å; V50-W53 HydrophobicContact CB-CB 4.35Å; V50-W53 HydrophobicContact CB-CD2 3.91Å; V50-W53 HydrophobicContact CB-CE3 4.38Å; V50-W53 HydrophobicContact CB-CG 3.87Å; V50-W53 HydrophobicContact CG1-CD2 3.78Å; V50-W53 HydrophobicContact CG1-CE3 4.1Å; V50-W53 HydrophobicContact CG1-CG 4.25Å; V50-W53 HydrophobicContact CG1-CH2 4.2Å; V50-W53 HydrophobicContact CG1-CZ2 3.88Å; V50-W53 HydrophobicContact CG1-CZ3 4.29Å; V50-W53 PolarHBondContact O-N 2.89Å; V50-R56 WeakPolarHBondContact O-CD 3.18Å; V50-F151 HydrophobicContact CG1-CE2 3.95Å; V50-F151 HydrophobicContact CG1-CZ 4.2Å; V50-F185 HydrophobicContact CB-CE2 4.34Å; V50-F185 HydrophobicContact CB-CZ 4.38Å; V50-F185 HydrophobicContact CG2-CD2 3.91Å; V50-F185 HydrophobicContact CG2-CE2 3.49Å; V50-F185 VanDerWaalsContact CG2-CE2 3.49Å; V50-F185 HydrophobicContact CG2-CZ 3.91Å; V50-G246 VanDerWaalsContact CG2-O 3.28Å; V50-G246 WeakPolarHBondContact CG2-O 3.5Å; V50-V248 HydrophobicContact CG1-CG2 3.6Å; V50-V248 HydrophobicContact CG2-CG2 4.27Å
51	F	96.1	Very high	97.1	Very high	58 Å²	58	46.8 Å²	46.8	25%	0.254	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-26.3	-176.9	62.6	-96.2	0	0	0	113.3	H24 K26 N48 R56	H24-F51 HydrophobicContact CB-CD2 4.29Å; H24-F51 HydrophobicContact CB-CE2 3.74Å; H24-F51 HydrophobicContact CB-CZ 3.95Å; H24-F51 WeakPolarHBondContact O-CE2 3.45Å; H24-F51 WeakPolarHBondContact O-CZ 3.02Å; K26-F51 HydrophobicContact CG-CE1 3.67Å; K26-F51 HydrophobicContact CG-CZ 3.96Å; N48-F51 WeakPolarHBondContact O-CD1 3.49Å; N48-F51 WeakPolarHBondContact O-CE1 3.41Å; F51-R56 VanDerWaalsContact O-CD 3.25Å; F51-R56 WeakPolarHBondContact O-CD 3.28Å
52	D	96.2	Very high	97.3	Very high	67 Å²	67	43.8 Å²	43.8	36%	0.358	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	6.9	-177.8	67	-31	0	0	0	113.4	K26 V50	K26-D52 VanDerWaalsContact CE-CG 3.44Å; K26-D52 WeakPolarHBondContact CE-OD1 3.35Å; K26-D52 WeakPolarHBondContact CE-OD2 3.12Å; K26-D52 VanDerWaalsContact NZ-CG 3.29Å; K26-D52 IonicContact NZ-OD1 2.98Å; K26-D52 PolarHBondContact NZ-OD1 3.18Å; K26-D52 IonicContact NZ-OD2 2.81Å; K26-D52 PolarHBondContact NZ-OD2 3.34Å; V50-D52 PolarHBondContact O-N 2.91Å
53	W	97.9	Very high	97.4	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	18%	0.183	C	C	.	.			trans	-75.1	127.9	174	-74.9	27.7	0	0	0	109.2	V50 A55 R56 V146 K147 W148 D150 F151 F185	V50-W53 HydrophobicContact CB-CB 4.35Å; V50-W53 HydrophobicContact CB-CD2 3.91Å; V50-W53 HydrophobicContact CB-CE3 4.38Å; V50-W53 HydrophobicContact CB-CG 3.87Å; V50-W53 HydrophobicContact CG1-CD2 3.78Å; V50-W53 HydrophobicContact CG1-CE3 4.1Å; V50-W53 HydrophobicContact CG1-CG 4.25Å; V50-W53 HydrophobicContact CG1-CH2 4.2Å; V50-W53 HydrophobicContact CG1-CZ2 3.88Å; V50-W53 HydrophobicContact CG1-CZ3 4.29Å; V50-W53 PolarHBondContact O-N 2.89Å; W53-A55 PolarHBondContact O-N 3.21Å; W53-R56 WeakPolarHBondContact O-CB 3.34Å; W53-R56 PolarHBondContact O-N 3.3Å; W53-V146 HydrophobicContact CE3-CG1 4.18Å; W53-V146 HydrophobicContact CH2-CG1 4.28Å; W53-V146 HydrophobicContact CZ3-CB 4.36Å; W53-V146 HydrophobicContact CZ3-CG1 3.56Å; W53-K147 HydrophobicContact CD2-CB 4.25Å; W53-K147 HydrophobicContact CZ2-CB 4Å; W53-K147 WeakPolarHBondContact CZ2-O 3.46Å; W53-W148 AromaticContact CH2-CD2 3.83Å; W53-W148 HydrophobicContact CH2-CD2 3.83Å; W53-W148 AromaticContact CH2-CE3 3.6Å; W53-W148 HydrophobicContact CH2-CE3 3.6Å; W53-W148 HydrophobicContact CH2-CG 4.39Å; W53-W148 HydrophobicContact CH2-CH2 4.38Å; W53-W148 AromaticContact CH2-CZ3 3.88Å; W53-W148 HydrophobicContact CH2-CZ3 3.88Å; W53-W148 HydrophobicContact CZ3-CD2 4.39Å; W53-W148 HydrophobicContact CZ3-CE3 4.35Å; W53-W148 HydrophobicContact CZ3-CH2 4.39Å; W53-W148 HydrophobicContact CZ3-CZ2 4.44Å; W53-W148 HydrophobicContact CZ3-CZ3 4.33Å; W53-D150 HydrophobicContact CZ2-CB 4.34Å; W53-D150 PolarHBondContact NE1-OD2 2.92Å; W53-F151 HydrophobicContact CH2-CD2 4.29Å; W53-F151 HydrophobicContact CH2-CE2 4.06Å; W53-F151 HydrophobicContact CZ2-CD2 4.04Å; W53-F151 AromaticContact CZ2-CE2 3.8Å; W53-F151 HydrophobicContact CZ2-CE2 3.8Å; W53-F185 HydrophobicContact CE3-CD1 4.03Å; W53-F185 HydrophobicContact CE3-CE1 4.1Å; W53-F185 HydrophobicContact CZ3-CD1 4.18Å
54	P	97.8	Very high	97.4	Very high	50 Å²	50	39.2 Å²	39.2	33%	0.325	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-55.2	-35.8	173.6	-25.5	33.7	0	0	0	112.3	R56 H57 D145	P54-R56 PolarHBondContact O-N 2.95Å; P54-H57 PolarHBondContact O-N 3.08Å; P54-H57 VanDerWaalsContact O-N 3.09Å; P54-D145 HydrophobicContact CB-CB 3.84Å; P54-D145 WeakPolarHBondContact CB-OD1 3.46Å; P54-D145 WeakPolarHBondContact CD-O 3.27Å; P54-D145 HydrophobicContact CG-CB 4.43Å
55	A	97.6	Very high	97.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-59.2	-18.7	175.7	0	0	0	0	0	114.5	W53 H57 W58 D145 V146 F185 V187 I269	W53-A55 PolarHBondContact O-N 3.21Å; A55-H57 PolarHBondContact O-N 3.33Å; A55-W58 HydrophobicContact CB-CD2 4.04Å; A55-W58 HydrophobicContact CB-CE3 4.41Å; A55-W58 HydrophobicContact CB-CG 4.42Å; A55-W58 HydrophobicContact CB-CZ2 4.24Å; A55-W58 WeakPolarHBondContact O-CB 3.11Å; A55-W58 PolarHBondContact O-N 3.04Å; A55-D145 HydrophobicContact CB-CB 4.13Å; A55-D145 WeakPolarHBondContact CB-O 3.23Å; A55-D145 PolarHBondContact N-O 3.41Å; A55-D145 VanDerWaalsContact N-O 3.1Å; A55-V146 HydrophobicContact CB-CG2 3.91Å; A55-F185 HydrophobicContact CB-CE1 4.09Å; A55-V187 WeakPolarHBondContact O-CG1 3.39Å; A55-I269 HydrophobicContact CB-CD1 4.08Å
56	R	96.9	Very high	97.2	Very high	85 Å²	85	46.4 Å²	46.4	32%	0.321	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-60.9	-29.7	174.5	-175.6	-175.1	-176.6	85.1	2.1	113.2	V50 F51 W53 P54 W58 F185 G246	V50-R56 WeakPolarHBondContact O-CD 3.18Å; F51-R56 VanDerWaalsContact O-CD 3.25Å; F51-R56 WeakPolarHBondContact O-CD 3.28Å; W53-R56 WeakPolarHBondContact O-CB 3.34Å; W53-R56 PolarHBondContact O-N 3.3Å; P54-R56 PolarHBondContact O-N 2.95Å; R56-W58 VanDerWaalsContact C-N 3.34Å; R56-F185 HydrophobicContact CB-CZ 4.27Å; R56-G246 VanDerWaalsContact NH1-CA 3.35Å
57	H	96.1	Very high	97.1	Very high	139 Å²	139	46.6 Å²	46.6	64%	0.644	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-90.5	-3.9	-178.4	-61.1	-63.7	0	0	0	113.1	P54 A55	P54-H57 PolarHBondContact O-N 3.08Å; P54-H57 VanDerWaalsContact O-N 3.09Å; A55-H57 PolarHBondContact O-N 3.33Å
58	W	98.1	Very high	97.1	Very high	8 Å²	8	52.4 Å²	52.4	3%	0.03	25%	0.248	C	C	.	.			trans	-64.4	151	176.3	-66.1	8.8	0	0	0	111	A55 R56 Y62 L63 F132 I142 D145 V146 V187 I269	A55-W58 HydrophobicContact CB-CD2 4.04Å; A55-W58 HydrophobicContact CB-CE3 4.41Å; A55-W58 HydrophobicContact CB-CG 4.42Å; A55-W58 HydrophobicContact CB-CZ2 4.24Å; A55-W58 WeakPolarHBondContact O-CB 3.11Å; A55-W58 PolarHBondContact O-N 3.04Å; R56-W58 VanDerWaalsContact C-N 3.34Å; W58-Y62 HydrophobicContact CB-CD1 4.04Å; W58-Y62 HydrophobicContact CB-CE1 4.45Å; W58-Y62 AromaticContact CD1-CD1 3.7Å; W58-Y62 AromaticContact CD1-CE1 3.3Å; W58-Y62 HydrophobicContact CD2-CD1 4.43Å; W58-Y62 HydrophobicContact CD2-CE1 4.07Å; W58-Y62 AromaticContact CE2-CE1 3.94Å; W58-Y62 AromaticContact CG-CD1 3.79Å; W58-Y62 HydrophobicContact CG-CD1 3.79Å; W58-Y62 AromaticContact CG-CE1 3.71Å; W58-Y62 HydrophobicContact CG-CE1 3.71Å; W58-Y62 AromaticContact NE1-CE1 3.45Å; W58-L63 HydrophobicContact CD2-CD2 4.27Å; W58-L63 HydrophobicContact CE3-CD2 3.74Å; W58-L63 HydrophobicContact CE3-CG 4.47Å; W58-L63 HydrophobicContact CZ3-CD2 4.05Å; W58-F132 AromaticContact CH2-CE2 3.64Å; W58-F132 HydrophobicContact CH2-CE2 3.64Å; W58-F132 AromaticContact CH2-CZ 3.81Å; W58-F132 HydrophobicContact CH2-CZ 3.81Å; W58-F132 AromaticContact CZ3-CE2 3.94Å; W58-F132 HydrophobicContact CZ3-CE2 3.94Å; W58-F132 AromaticContact CZ3-CZ 3.59Å; W58-F132 HydrophobicContact CZ3-CZ 3.59Å; W58-I142 HydrophobicContact CH2-CD1 3.77Å; W58-I142 HydrophobicContact CH2-CG1 3.58Å; W58-I142 HydrophobicContact CZ2-CD1 3.63Å; W58-I142 HydrophobicContact CZ2-CG1 3.26Å; W58-D145 HydrophobicContact CH2-CB 4.41Å; W58-D145 HydrophobicContact CZ2-CB 3.45Å; W58-D145 VanDerWaalsContact CZ2-CB 3.45Å; W58-D145 VanDerWaalsContact CZ2-OD2 3.28Å; W58-D145 WeakPolarHBondContact CZ2-OD2 3.27Å; W58-D145 PolarHBondContact NE1-OD2 3.26Å; W58-V146 HydrophobicContact CH2-CG2 4.5Å; W58-V187 HydrophobicContact CB-CG1 3.79Å; W58-V187 VanDerWaalsContact O-CG1 3.23Å; W58-V187 WeakPolarHBondContact O-CG1 3.49Å; W58-I269 HydrophobicContact CE3-CD1 3.9Å; W58-I269 HydrophobicContact CZ3-CD1 3.78Å
59	N	97.9	Very high	97	Very high	56 Å²	56	51 Å²	51	30%	0.299	25%	0.253	S	S	.	.			trans	-154	169.8	169.3	59.9	65.1	0	0	0	107.9	K61 Y62 L63 Q188	N59-K61 PolarHBondContact O-N 2.92Å; N59-K61 WeakPolarHBondContact OD1-CA 3.42Å; N59-K61 VanDerWaalsContact OD1-CB 3.31Å; N59-K61 WeakPolarHBondContact OD1-CB 3.28Å; N59-K61 PolarHBondContact OD1-N 2.81Å; N59-Y62 PolarHBondContact O-N 3.44Å; N59-Y62 PolarHBondContact OD1-N 3.19Å; N59-L63 WeakPolarHBondContact O-CG 3.31Å; N59-L63 PolarHBondContact O-N 2.8Å; N59-Q188 HydrophobicContact CB-CG 4.39Å
60	A	97.8	Very high	97	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-60	-28.9	-176.8	0	0	0	0	0	113.5	S64 L102 V265 V267	A60-S64 WeakPolarHBondContact O-CB 3.44Å; A60-S64 PolarHBondContact O-N 2.92Å; A60-L102 HydrophobicContact CB-CD2 3.88Å; A60-V265 HydrophobicContact CB-CG1 3.63Å; A60-V267 HydrophobicContact CB-CG2 4.26Å
61	K	97.5	Very high	97	Very high	148 Å²	148	59.6 Å²	59.6	64%	0.643	29%	0.287	S	S	*	.	H	α-helix	trans	-70.2	-50	175.5	-62.6	-176.2	175.9	-174.1	0	111	N59 L63 S64 E65 L102	N59-K61 PolarHBondContact O-N 2.92Å; N59-K61 WeakPolarHBondContact OD1-CA 3.42Å; N59-K61 VanDerWaalsContact OD1-CB 3.31Å; N59-K61 WeakPolarHBondContact OD1-CB 3.28Å; N59-K61 PolarHBondContact OD1-N 2.81Å; K61-L63 VanDerWaalsContact C-N 3.3Å; K61-L63 PolarHBondContact O-N 2.79Å; K61-S64 WeakPolarHBondContact O-CA 3.42Å; K61-S64 VanDerWaalsContact O-CB 3.28Å; K61-S64 WeakPolarHBondContact O-CB 3.45Å; K61-S64 PolarHBondContact O-N 2.85Å; K61-E65 PolarHBondContact O-N 2.83Å; K61-E65 VanDerWaalsContact O-N 3.11Å; K61-L102 HydrophobicContact CG-CD1 4.18Å
62	Y	98	Very high	97	Very high	80 Å²	80	57.2 Å²	57.2	31%	0.314	28%	0.276	S	S	.	.	H	α-helix	trans	-55.1	-46.9	173.2	168.8	-102.1	0	0	0	111.4	W58 N59 S64 E65 V66	W58-Y62 HydrophobicContact CB-CD1 4.04Å; W58-Y62 HydrophobicContact CB-CE1 4.45Å; W58-Y62 AromaticContact CD1-CD1 3.7Å; W58-Y62 AromaticContact CD1-CE1 3.3Å; W58-Y62 HydrophobicContact CD2-CD1 4.43Å; W58-Y62 HydrophobicContact CD2-CE1 4.07Å; W58-Y62 AromaticContact CE2-CE1 3.94Å; W58-Y62 AromaticContact CG-CD1 3.79Å; W58-Y62 HydrophobicContact CG-CD1 3.79Å; W58-Y62 AromaticContact CG-CE1 3.71Å; W58-Y62 HydrophobicContact CG-CE1 3.71Å; W58-Y62 AromaticContact NE1-CE1 3.45Å; N59-Y62 PolarHBondContact O-N 3.44Å; N59-Y62 PolarHBondContact OD1-N 3.19Å; Y62-S64 VanDerWaalsContact C-N 3.27Å; Y62-S64 PolarHBondContact O-N 2.79Å; Y62-E65 WeakPolarHBondContact O-CB 3.38Å; Y62-E65 PolarHBondContact O-N 3.07Å; Y62-E65 VanDerWaalsContact O-N 3.08Å; Y62-V66 HydrophobicContact CD1-CG2 4.2Å; Y62-V66 HydrophobicContact CD2-CG2 4.28Å; Y62-V66 HydrophobicContact CE1-CG2 3.68Å; Y62-V66 HydrophobicContact CE2-CG2 3.78Å; Y62-V66 HydrophobicContact CG-CG2 4.48Å; Y62-V66 VanDerWaalsContact CZ-CG2 3.46Å; Y62-V66 WeakPolarHBondContact O-CG2 3.26Å; Y62-V66 PolarHBondContact O-N 3.16Å
63	L	97.9	Very high	97.1	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-33.3	177.5	-71.6	168.6	0	0	0	112.4	W58 N59 K61 E65 V66 L67 L98 F136 L163 I165 V267	W58-L63 HydrophobicContact CD2-CD2 4.27Å; W58-L63 HydrophobicContact CE3-CD2 3.74Å; W58-L63 HydrophobicContact CE3-CG 4.47Å; W58-L63 HydrophobicContact CZ3-CD2 4.05Å; N59-L63 WeakPolarHBondContact O-CG 3.31Å; N59-L63 PolarHBondContact O-N 2.8Å; K61-L63 VanDerWaalsContact C-N 3.3Å; K61-L63 PolarHBondContact O-N 2.79Å; L63-E65 VanDerWaalsContact C-N 3.31Å; L63-V66 PolarHBondContact O-N 3.01Å; L63-L67 WeakPolarHBondContact O-CB 3.38Å; L63-L67 WeakPolarHBondContact O-CG 3.43Å; L63-L67 PolarHBondContact O-N 3.01Å; L63-L98 HydrophobicContact CB-CD1 3.84Å; L63-F136 HydrophobicContact CD2-CE1 4.45Å; L63-F136 HydrophobicContact CD2-CZ 4.1Å; L63-L163 HydrophobicContact CD1-CD1 4.31Å; L63-L163 HydrophobicContact CD1-CD2 4.16Å; L63-L163 HydrophobicContact CD2-CD2 4.37Å; L63-I165 HydrophobicContact CD1-CD1 4.13Å; L63-V267 HydrophobicContact CD1-CG1 3.83Å; L63-V267 HydrophobicContact CD1-CG2 4.27Å
64	S	97.4	Very high	97.1	Very high	16 Å²	16	60.4 Å²	60.4	11%	0.112	28%	0.283	C	S	.	.	H	α-helix	trans	-64.7	-34.7	173.5	-170.3	0	0	0	0	112.6	A60 K61 Y62 L67 H68 E99	A60-S64 WeakPolarHBondContact O-CB 3.44Å; A60-S64 PolarHBondContact O-N 2.92Å; K61-S64 WeakPolarHBondContact O-CA 3.42Å; K61-S64 VanDerWaalsContact O-CB 3.28Å; K61-S64 WeakPolarHBondContact O-CB 3.45Å; K61-S64 PolarHBondContact O-N 2.85Å; Y62-S64 VanDerWaalsContact C-N 3.27Å; Y62-S64 PolarHBondContact O-N 2.79Å; S64-L67 CarbonylContact O-C 3.56Å; S64-H68 WeakPolarHBondContact O-CA 3.43Å; S64-H68 PolarHBondContact O-N 2.94Å; S64-H68 VanDerWaalsContact O-N 3.14Å; S64-E99 WeakPolarHBondContact OG-CA 3.42Å; S64-E99 PolarHBondContact OG-N 2.93Å; S64-E99 VanDerWaalsContact OG-N 3.14Å
65	E	97.2	Very high	97.1	Very high	146 Å²	146	58 Å²	58	68%	0.682	27%	0.268	S	S	*	.	H	α-helix	trans	-72.6	-45.8	174.7	-65.2	169.8	-178.1	0	0	110.9	K61 Y62 L63 L67 H68	K61-E65 PolarHBondContact O-N 2.83Å; K61-E65 VanDerWaalsContact O-N 3.11Å; Y62-E65 WeakPolarHBondContact O-CB 3.38Å; Y62-E65 PolarHBondContact O-N 3.07Å; Y62-E65 VanDerWaalsContact O-N 3.08Å; L63-E65 VanDerWaalsContact C-N 3.31Å; E65-L67 VanDerWaalsContact C-N 3.3Å; E65-L67 PolarHBondContact O-N 2.93Å; E65-H68 WeakPolarHBondContact O-CB 3.37Å; E65-H68 PolarHBondContact O-N 3.45Å
66	V	96.3	Very high	97.1	Very high	19 Å²	19	58.1 Å²	58.1	12%	0.115	27%	0.268	C	S	.	.	H	α-helix	trans	-60.3	-41.8	176	172.3	0	0	0	0	111.2	Y62 L63 H68 F136 K139 I142	Y62-V66 HydrophobicContact CD1-CG2 4.2Å; Y62-V66 HydrophobicContact CD2-CG2 4.28Å; Y62-V66 HydrophobicContact CE1-CG2 3.68Å; Y62-V66 HydrophobicContact CE2-CG2 3.78Å; Y62-V66 HydrophobicContact CG-CG2 4.48Å; Y62-V66 VanDerWaalsContact CZ-CG2 3.46Å; Y62-V66 WeakPolarHBondContact O-CG2 3.26Å; Y62-V66 PolarHBondContact O-N 3.16Å; L63-V66 PolarHBondContact O-N 3.01Å; V66-H68 VanDerWaalsContact C-N 3.32Å; V66-F136 HydrophobicContact CG1-CD1 4Å; V66-F136 HydrophobicContact CG1-CE1 3.76Å; V66-K139 HydrophobicContact CG1-CD 3.92Å; V66-K139 WeakPolarHBondContact O-CE 3.37Å; V66-K139 PolarHBondContact O-NZ 3.05Å; V66-I142 HydrophobicContact CG1-CD1 3.65Å; V66-I142 HydrophobicContact CG2-CD1 4.44Å
67	L	96.2	Very high	97	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.026	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	27.3	-178.2	-63	167.9	0	0	0	112.1	L63 S64 E65 G69 K70 I72 L98 L135 F136	L63-L67 WeakPolarHBondContact O-CB 3.38Å; L63-L67 WeakPolarHBondContact O-CG 3.43Å; L63-L67 PolarHBondContact O-N 3.01Å; S64-L67 CarbonylContact O-C 3.56Å; E65-L67 VanDerWaalsContact C-N 3.3Å; E65-L67 PolarHBondContact O-N 2.93Å; L67-G69 PolarHBondContact O-N 3.01Å; L67-K70 HydrophobicContact CB-CB 4.32Å; L67-K70 HydrophobicContact CD2-CD 4.18Å; L67-K70 WeakPolarHBondContact O-CB 3.47Å; L67-K70 PolarHBondContact O-N 3.48Å; L67-I72 HydrophobicContact CD1-CD1 4.02Å; L67-L98 HydrophobicContact CB-CD1 4.38Å; L67-L98 HydrophobicContact CD1-CD1 3.77Å; L67-L135 HydrophobicContact CD1-CD1 4.1Å; L67-L135 HydrophobicContact CD1-CD2 3.84Å; L67-L135 HydrophobicContact CD1-CG 3.97Å; L67-L135 HydrophobicContact CD2-CD1 4.14Å; L67-L135 HydrophobicContact CD2-CG 3.92Å; L67-L135 WeakPolarHBondContact CD2-O 3.41Å; L67-F136 HydrophobicContact CD1-CE1 3.86Å; L67-F136 HydrophobicContact CD1-CZ 4.14Å; L67-F136 HydrophobicContact CD2-CD1 3.6Å; L67-F136 HydrophobicContact CD2-CE1 3.53Å; L67-F136 HydrophobicContact CD2-CZ 4.42Å; L67-F136 HydrophobicContact CG-CD1 4.28Å; L67-F136 HydrophobicContact CG-CE1 3.72Å; L67-F136 HydrophobicContact CG-CZ 4.5Å
68	H	95.6	Very high	96.9	Very high	140 Å²	140	52.1 Å²	52.1	65%	0.648	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	126	-176.2	-176.6	73.8	0	0	0	112	S64 E65 V66 K70	S64-H68 WeakPolarHBondContact O-CA 3.43Å; S64-H68 PolarHBondContact O-N 2.94Å; S64-H68 VanDerWaalsContact O-N 3.14Å; E65-H68 WeakPolarHBondContact O-CB 3.37Å; E65-H68 PolarHBondContact O-N 3.45Å; V66-H68 VanDerWaalsContact C-N 3.32Å; H68-K70 PolarHBondContact O-N 3.43Å; H68-K70 VanDerWaalsContact O-N 3.11Å
69	G	94.9	Very high	96.6	Very high	50 Å²	50	55.1 Å²	55.1	52%	0.515	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	-9.3	-178.6	0	0	0	0	0	116	L67 R71	L67-G69 PolarHBondContact O-N 3.01Å; G69-R71 PolarHBondContact O-N 3.41Å
70	K	96.3	Very high	95.8	Very high	49 Å²	49	54.9 Å²	54.9	21%	0.213	26%	0.262	C	S	.	.			trans	-72.1	127.4	179.1	-169.5	152.3	-177.5	162	0	109.8	L67 H68 S134 L135 E137	L67-K70 HydrophobicContact CB-CB 4.32Å; L67-K70 HydrophobicContact CD2-CD 4.18Å; L67-K70 WeakPolarHBondContact O-CB 3.47Å; L67-K70 PolarHBondContact O-N 3.48Å; H68-K70 PolarHBondContact O-N 3.43Å; H68-K70 VanDerWaalsContact O-N 3.11Å; K70-S134 PolarHBondContact NZ-O 2.98Å; K70-L135 WeakPolarHBondContact CD-O 3.33Å; K70-L135 WeakPolarHBondContact CE-O 3.13Å; K70-L135 PolarHBondContact NZ-O 3.35Å; K70-E137 IonicContact NZ-OE1 2.85Å; K70-E137 PolarHBondContact NZ-OE1 3.27Å
71	R	97.1	Very high	94.7	Very high	134 Å²	134	62.6 Å²	62.6	51%	0.506	30%	0.3	S	S	.	.			trans	-83.7	130.5	176.7	-59.5	-175.2	66.2	72.3	-2.5	109.1	G69 E95 E100	G69-R71 PolarHBondContact O-N 3.41Å; R71-E95 PolarHBondContact NH2-O 2.86Å; R71-E100 IonicContact NH1-OE2 2.77Å
72	I	96.8	Very high	94.3	Very high	7 Å²	7	57.7 Å²	57.7	4%	0.036	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.2	-178.6	-53	175.5	0	0	0	107.7	L67 F74 A96 L98 A127 K130 L135	L67-I72 HydrophobicContact CD1-CD1 4.02Å; I72-F74 HydrophobicContact CB-CE2 3.99Å; I72-F74 HydrophobicContact CB-CZ 4.47Å; I72-F74 HydrophobicContact CG2-CE2 4.39Å; I72-F74 WeakPolarHBondContact O-CD2 3.26Å; I72-F74 WeakPolarHBondContact O-CE2 3.29Å; I72-A96 PolarHBondContact N-O 2.93Å; I72-A96 PolarHBondContact O-N 3.35Å; I72-L98 HydrophobicContact CD1-CD1 4.1Å; I72-L98 HydrophobicContact CD1-CD2 4.43Å; I72-L98 HydrophobicContact CD1-CG 3.84Å; I72-A127 HydrophobicContact CG2-CB 4.07Å; I72-K130 HydrophobicContact CG2-CD 3.9Å; I72-K130 VanDerWaalsContact CG2-CE 3.43Å; I72-K130 HydrophobicContact CG2-CG 4.15Å; I72-L135 HydrophobicContact CD1-CD1 3.86Å; I72-L135 HydrophobicContact CG1-CD1 3.94Å
73	R	97.8	Very high	93.9	Very high	135 Å²	135	56.5 Å²	56.5	51%	0.509	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	121.8	173.8	-172.7	174.2	-74.6	-173.5	-3.4	111.3	Y93 E95 K130	R73-Y93 HydrophobicContact CG-CD1 3.71Å; R73-Y93 HydrophobicContact CG-CG 4.38Å; R73-E95 VanDerWaalsContact CB-OE1 3.23Å; R73-E95 WeakPolarHBondContact CB-OE1 3.26Å; R73-E95 WeakPolarHBondContact CG-OE1 3.49Å; R73-E95 IonicContact CZ-OE1 3.68Å; R73-E95 PolarHBondContact N-OE2 2.96Å; R73-E95 IonicContact NE-OE1 3.64Å; R73-E95 PolarHBondContact NE-OE1 3.21Å; R73-E95 IonicContact NH2-OE1 2.8Å; R73-K130 WeakPolarHBondContact O-CE 3.28Å; R73-K130 PolarHBondContact O-NZ 3.35Å
74	F	98.1	Very high	93.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.1	170.6	-66.3	-95.3	0	0	0	110.1	I72 M76 Y93 V94 A96 L98 F101 F115 A125 Y126 A127	I72-F74 HydrophobicContact CB-CE2 3.99Å; I72-F74 HydrophobicContact CB-CZ 4.47Å; I72-F74 HydrophobicContact CG2-CE2 4.39Å; I72-F74 WeakPolarHBondContact O-CD2 3.26Å; I72-F74 WeakPolarHBondContact O-CE2 3.29Å; F74-M76 HydrophobicContact CB-SD 4.32Å; F74-Y93 CarbonylContact O-C 3.38Å; F74-Y93 VanDerWaalsContact O-CA 3.3Å; F74-Y93 WeakPolarHBondContact O-CA 3.4Å; F74-V94 PolarHBondContact N-O 3.32Å; F74-V94 PolarHBondContact O-N 2.89Å; F74-A96 HydrophobicContact CD2-CB 4.18Å; F74-A96 HydrophobicContact CE2-CB 4.19Å; F74-L98 HydrophobicContact CE1-CD2 4.46Å; F74-L98 HydrophobicContact CZ-CD2 3.92Å; F74-F101 HydrophobicContact CD1-CD2 4Å; F74-F101 HydrophobicContact CD1-CG 4.41Å; F74-F101 HydrophobicContact CE1-CB 3.88Å; F74-F101 HydrophobicContact CE1-CD1 4.26Å; F74-F101 AromaticContact CE1-CD2 3.67Å; F74-F101 HydrophobicContact CE1-CD2 3.67Å; F74-F101 HydrophobicContact CE1-CE2 4.29Å; F74-F101 AromaticContact CE1-CG 3.66Å; F74-F101 HydrophobicContact CE1-CG 3.66Å; F74-F101 HydrophobicContact CE2-CB 4.26Å; F74-F101 HydrophobicContact CZ-CB 3.66Å; F74-F101 HydrophobicContact CZ-CD2 4.35Å; F74-F101 AromaticContact CZ-CG 3.95Å; F74-F101 HydrophobicContact CZ-CG 3.95Å; F74-F115 HydrophobicContact CB-CE1 4.24Å; F74-F115 HydrophobicContact CB-CZ 4.3Å; F74-F115 HydrophobicContact CD1-CZ 4.5Å; F74-F115 AromaticContact CD2-CZ 3.84Å; F74-F115 HydrophobicContact CD2-CZ 3.84Å; F74-F115 HydrophobicContact CE2-CZ 4.3Å; F74-F115 HydrophobicContact CG-CE1 4.36Å; F74-F115 AromaticContact CG-CZ 3.96Å; F74-F115 HydrophobicContact CG-CZ 3.96Å; F74-A125 HydrophobicContact CB-CB 4.45Å; F74-A125 HydrophobicContact CD1-CB 4.31Å; F74-Y126 CarbonylContact C-O 3.27Å; F74-Y126 WeakPolarHBondContact CA-O 3.21Å; F74-A127 HydrophobicContact CD1-CB 3.79Å; F74-A127 HydrophobicContact CE1-CB 3.64Å; F74-A127 HydrophobicContact CG-CB 4.48Å; F74-A127 HydrophobicContact CZ-CB 4.22Å
75	R	97.8	Very high	93.4	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	129.7	165.5	-174.4	165.2	57.6	108.2	-1.5	109.4	C91 Y93 W124 A125 Y126 D128 H171	R75-C91 HydrophobicContact CG-CB 3.45Å; R75-C91 VanDerWaalsContact CG-CB 3.45Å; R75-Y93 HydrophobicContact CB-CD1 4.04Å; R75-Y93 HydrophobicContact CB-CE1 3.7Å; R75-Y93 HydrophobicContact CG-CD1 4.44Å; R75-Y93 HydrophobicContact CG-CE1 3.9Å; R75-W124 HydrophobicContact CB-CZ3 4.47Å; R75-W124 HydrophobicContact CG-CH2 4.23Å; R75-W124 HydrophobicContact CG-CZ3 4.26Å; R75-W124 VanDerWaalsContact NH1-CH2 3.34Å; R75-W124 WeakPolarHBondContact O-CZ3 3.34Å; R75-A125 CarbonylContact O-C 3.59Å; R75-A125 WeakPolarHBondContact O-CA 3.44Å; R75-Y126 PolarHBondContact N-O 3.07Å; R75-Y126 PolarHBondContact O-N 3.24Å; R75-D128 IonicContact CZ-OD2 2.79Å; R75-D128 IonicContact NE-OD2 2.7Å; R75-D128 PolarHBondContact NE-OD2 3.29Å; R75-D128 IonicContact NH2-OD2 3.11Å; R75-D128 PolarHBondContact NH2-OD2 2.82Å; R75-H171 PolarHBondContact NH2-O 3.01Å
76	M	97.4	Very high	93.2	Very high	2 Å²	2	54 Å²	54	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117	178.7	-56.2	-54.1	-63.5	0	0	109.1	F74 C91 S92 V94 W104 F115 Y118 F123 W124 A125	F74-M76 HydrophobicContact CB-SD 4.32Å; M76-C91 WeakPolarHBondContact O-CB 3.29Å; M76-S92 WeakPolarHBondContact CB-O 3.24Å; M76-S92 PolarHBondContact N-O 2.81Å; M76-S92 PolarHBondContact O-N 2.86Å; M76-V94 HydrophobicContact CG-CB 4.35Å; M76-V94 HydrophobicContact CG-CG2 3.79Å; M76-V94 HydrophobicContact SD-CG2 4.39Å; M76-W104 HydrophobicContact CE-CH2 3.95Å; M76-W104 HydrophobicContact CE-CZ2 3.91Å; M76-F115 HydrophobicContact CE-CD1 3.97Å; M76-F115 HydrophobicContact CE-CE1 4.2Å; M76-F115 HydrophobicContact SD-CD1 4.01Å; M76-F115 HydrophobicContact SD-CE1 3.7Å; M76-Y118 HydrophobicContact CB-CD1 3.85Å; M76-Y118 HydrophobicContact CB-CE1 3.51Å; M76-Y118 HydrophobicContact CE-CD1 3.82Å; M76-Y118 HydrophobicContact CE-CD2 4.29Å; M76-Y118 HydrophobicContact CE-CE1 4.5Å; M76-Y118 HydrophobicContact CE-CG 3.68Å; M76-Y118 HydrophobicContact CG-CD1 3.98Å; M76-Y118 HydrophobicContact CG-CD2 4.48Å; M76-Y118 HydrophobicContact CG-CE1 3.68Å; M76-Y118 HydrophobicContact CG-CE2 4.25Å; M76-Y118 HydrophobicContact CG-CG 4.35Å; M76-F123 HydrophobicContact CE-CB 4.19Å; M76-W124 WeakPolarHBondContact CA-O 3.5Å; M76-A125 HydrophobicContact CE-CB 3.86Å; M76-A125 HydrophobicContact SD-CB 3.5Å; M76-A125 VanDerWaalsContact SD-CB 3.5Å
77	G	95.7	Very high	92.9	Very high	3 Å²	3	54.1 Å²	54.1	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	163.1	174.5	0	0	0	0	0	112.5	F123 W124	G77-F123 CarbonylContact O-C 3.49Å; G77-F123 VanDerWaalsContact O-CA 3.27Å; G77-F123 WeakPolarHBondContact O-CA 3.26Å; G77-F123 WeakPolarHBondContact O-CD1 3.37Å; G77-W124 VanDerWaalsContact CA-CE2 3.43Å; G77-W124 PolarHBondContact N-O 2.83Å; G77-W124 VanDerWaalsContact N-O 3.13Å; G77-W124 PolarHBondContact O-N 2.81Å; G77-W124 PolarHBondContact O-NE1 2.88Å
78	M	94.3	Very high	92.5	Very high	95 Å²	95	55.3 Å²	55.3	47%	0.468	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	143.4	-176.2	-65.5	-177.7	70.2	0	0	110.5	S80 Q86 K122 F123 W124	M78-S80 PolarHBondContact O-N 2.86Å; M78-Q86 PolarHBondContact O-NE2 3.24Å; M78-Q86 PolarHBondContact O-OE1 2.97Å; M78-K122 CarbonylContact C-O 3.49Å; M78-K122 WeakPolarHBondContact CA-O 3.36Å; M78-F123 HydrophobicContact CG-CD1 4.19Å; M78-F123 HydrophobicContact CG-CE1 3.72Å; M78-F123 HydrophobicContact CG-CZ 4.26Å; M78-W124 PolarHBondContact O-NE1 3.04Å; M78-W124 VanDerWaalsContact O-NE1 3.15Å
79	K	91.9	Very high	92	Very high	71 Å²	71	51.6 Å²	51.6	31%	0.309	27%	0.269	S	S	.	.			trans	-75.7	23.9	170.8	-68.1	172.7	171.1	164.8	0	112.7	H120 K122 F123 W124 L168	K79-H120 PolarHBondContact NZ-O 2.9Å; K79-K122 PolarHBondContact N-O 3.31Å; K79-F123 WeakPolarHBondContact CE-O 3.37Å; K79-F123 PolarHBondContact NZ-O 2.87Å; K79-F123 VanDerWaalsContact NZ-O 3.1Å; K79-W124 HydrophobicContact CG-CB 4.39Å; K79-L168 VanDerWaalsContact CE-O 3.27Å; K79-L168 WeakPolarHBondContact CE-O 2.99Å
80	S	79.5	Confident	91.7	Very high	51 Å²	51	54 Å²	54	36%	0.357	27%	0.274	S	S	.	.			trans	-77.7	149.1	-172.9	77.1	0	0	0	0	113.1	M78 S82	M78-S80 PolarHBondContact O-N 2.86Å; S80-S82 PolarHBondContact O-N 2.88Å; S80-S82 VanDerWaalsContact O-N 3.12Å
81	M	74.5	Confident	91.5	Very high	164 Å²	164	52.4 Å²	52.4	81%	0.808	27%	0.269	S	S	*	.			trans	-85.1	46.5	175.2	-62.5	-97	79	0	0	112	N224	M81-N224 PolarHBondContact O-ND2 2.7Å
82	S	88.8	Confident	91.4	Very high	44 Å²	44	49 Å²	49	31%	0.308	27%	0.265	S	S	.	.			trans	-69.1	149.1	177.1	-178	0	0	0	0	111.2	S80 V84 N221 N224	S80-S82 PolarHBondContact O-N 2.88Å; S80-S82 VanDerWaalsContact O-N 3.12Å; S82-V84 VanDerWaalsContact C-N 3.3Å; S82-V84 PolarHBondContact OG-N 2.93Å; S82-V84 VanDerWaalsContact OG-N 3.1Å; S82-V84 PolarHBondContact OG-O 3.36Å; S82-N221 PolarHBondContact O-ND2 2.86Å; S82-N224 PolarHBondContact O-ND2 2.66Å; S82-N224 VanDerWaalsContact O-ND2 3.08Å
83	T	91.6	Very high	91.3	Very high	55 Å²	55	52.9 Å²	52.9	34%	0.337	28%	0.28	S	S	.	.	S	Bend	trans	-84.5	-8.1	169.9	57.4	0	0	0	0	112.9	N221 N224 D226	T83-N221 WeakPolarHBondContact O-CB 3.35Å; T83-N224 WeakPolarHBondContact CA-O 3.49Å; T83-D226 HydrophobicContact CG2-CB 4.43Å
84	V	91.5	Very high	91.3	Very high	71 Å²	71	46.9 Å²	46.9	43%	0.43	26%	0.259	S	S	.	.	S	Bend	trans	-95.1	132.5	177.1	-176.2	0	0	0	0	109	S82	S82-V84 VanDerWaalsContact C-N 3.3Å; S82-V84 PolarHBondContact OG-N 2.93Å; S82-V84 VanDerWaalsContact OG-N 3.1Å; S82-V84 PolarHBondContact OG-O 3.36Å
85	P	92.3	Very high	91.3	Very high	10 Å²	10	50.1 Å²	50.1	7%	0.065	27%	0.274	C	S	.	.			trans	-56.9	140.1	172.6	-23.3	32.6	0	0	0	112.3	F87 P173 I220 N221	P85-F87 HydrophobicContact CB-CD1 4.31Å; P85-F87 HydrophobicContact CB-CD2 4.43Å; P85-F87 HydrophobicContact CB-CE1 3.8Å; P85-F87 HydrophobicContact CB-CE2 3.95Å; P85-F87 HydrophobicContact CB-CZ 3.6Å; P85-F87 HydrophobicContact CG-CE1 4.36Å; P85-F87 HydrophobicContact CG-CE2 4.28Å; P85-F87 HydrophobicContact CG-CZ 3.82Å; P85-F87 PolarHBondContact O-N 2.94Å; P85-P173 HydrophobicContact CB-CB 4.18Å; P85-I220 VanDerWaalsContact CG-C 3.43Å; P85-I220 WeakPolarHBondContact CG-O 3.32Å; P85-N221 HydrophobicContact CG-CB 4.29Å
86	Q	92.3	Very high	91.3	Very high	30 Å²	30	50.1 Å²	50.1	14%	0.14	27%	0.274	C	S	.	.			trans	-86.9	87.9	172.6	-72.1	-178	87.4	0	0	109.7	M78 P173	M78-Q86 PolarHBondContact O-NE2 3.24Å; M78-Q86 PolarHBondContact O-OE1 2.97Å; Q86-P173 WeakPolarHBondContact O-CG 3.4Å
87	F	89.7	Confident	91.3	Very high	20 Å²	20	50.9 Å²	50.9	9%	0.088	28%	0.279	C	S	.	.			trans	-71.7	154.7	176.6	-59.3	-64.8	0	0	0	111.6	P85 T89 T90 C91 P173 F217 P310	P85-F87 HydrophobicContact CB-CD1 4.31Å; P85-F87 HydrophobicContact CB-CD2 4.43Å; P85-F87 HydrophobicContact CB-CE1 3.8Å; P85-F87 HydrophobicContact CB-CE2 3.95Å; P85-F87 HydrophobicContact CB-CZ 3.6Å; P85-F87 HydrophobicContact CG-CE1 4.36Å; P85-F87 HydrophobicContact CG-CE2 4.28Å; P85-F87 HydrophobicContact CG-CZ 3.82Å; P85-F87 PolarHBondContact O-N 2.94Å; F87-T89 VanDerWaalsContact C-N 3.34Å; F87-T89 PolarHBondContact O-N 3.3Å; F87-T90 PolarHBondContact N-OG1 2.86Å; F87-T90 PolarHBondContact O-N 2.82Å; F87-T90 PolarHBondContact O-OG1 3.27Å; F87-C91 PolarHBondContact O-N 2.91Å; F87-C91 PolarHBondContact O-SG 3.33Å; F87-P173 HydrophobicContact CD1-CB 4.36Å; F87-P173 HydrophobicContact CD1-CG 4.3Å; F87-P173 HydrophobicContact CE1-CB 4.36Å; F87-F217 HydrophobicContact CD1-CD1 4.42Å; F87-F217 HydrophobicContact CE1-CB 4.04Å; F87-F217 HydrophobicContact CE1-CD1 4.28Å; F87-F217 HydrophobicContact CE1-CG 4.29Å; F87-P310 HydrophobicContact CB-CB 3.92Å; F87-P310 HydrophobicContact CD1-CB 3.91Å; F87-P310 HydrophobicContact CD1-CG 4.34Å; F87-P310 HydrophobicContact CD2-CB 3.36Å; F87-P310 HydrophobicContact CD2-CG 3.88Å; F87-P310 HydrophobicContact CE1-CB 4.24Å; F87-P310 HydrophobicContact CE1-CG 4.17Å; F87-P310 HydrophobicContact CE2-CB 3.74Å; F87-P310 HydrophobicContact CE2-CG 3.68Å; F87-P310 HydrophobicContact CG-CB 3.45Å; F87-P310 VanDerWaalsContact CG-CB 3.45Å; F87-P310 HydrophobicContact CG-CG 4.21Å; F87-P310 HydrophobicContact CZ-CB 4.16Å; F87-P310 HydrophobicContact CZ-CG 3.83Å
88	E	88.2	Confident	91.3	Very high	30 Å²	30	50.9 Å²	50.9	14%	0.14	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-57.2	-43.8	-175.1	-60.8	-167.1	173.7	0	0	113.3	T90 C91 Y93 T311	E88-T90 PolarHBondContact O-N 2.89Å; E88-T90 VanDerWaalsContact O-N 3.15Å; E88-C91 WeakPolarHBondContact O-CB 3.29Å; E88-C91 PolarHBondContact O-N 3.23Å; E88-Y93 WeakPolarHBondContact CB-OH 3.21Å; E88-Y93 PolarHBondContact O-OH 3.45Å; E88-Y93 VanDerWaalsContact O-OH 3.13Å; E88-T311 HydrophobicContact CB-CG2 4.28Å; E88-T311 HydrophobicContact CG-CG2 4.3Å
89	T	86.1	Confident	91.4	Very high	63 Å²	63	51.5 Å²	51.5	39%	0.387	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-64.3	-17.9	177.3	55	0	0	0	0	114.8	F87 P310 T311 V313	F87-T89 VanDerWaalsContact C-N 3.34Å; F87-T89 PolarHBondContact O-N 3.3Å; T89-P310 VanDerWaalsContact CB-O 3.25Å; T89-P310 WeakPolarHBondContact CB-O 3.19Å; T89-P310 WeakPolarHBondContact CG2-O 3.42Å; T89-P310 PolarHBondContact OG1-O 2.92Å; T89-T311 WeakPolarHBondContact CG2-O 3.27Å; T89-V313 HydrophobicContact CG2-CG2 3.68Å
90	T	87.7	Confident	91.6	Very high	99 Å²	99	50.9 Å²	50.9	61%	0.607	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-93.5	-8.7	176.1	66.8	0	0	0	0	112.4	F87 E88	F87-T90 PolarHBondContact N-OG1 2.86Å; F87-T90 PolarHBondContact O-N 2.82Å; F87-T90 PolarHBondContact O-OG1 3.27Å; E88-T90 PolarHBondContact O-N 2.89Å; E88-T90 VanDerWaalsContact O-N 3.15Å
91	C	92.1	Very high	92.5	Very high	16 Å²	16	48.5 Å²	48.5	11%	0.108	26%	0.261	C	S	.	.	S	Bend	trans	-87.7	157	179.5	-63	0	0	0	0	111.2	R75 M76 F87 E88	R75-C91 HydrophobicContact CG-CB 3.45Å; R75-C91 VanDerWaalsContact CG-CB 3.45Å; M76-C91 WeakPolarHBondContact O-CB 3.29Å; F87-C91 PolarHBondContact O-N 2.91Å; F87-C91 PolarHBondContact O-SG 3.33Å; E88-C91 WeakPolarHBondContact O-CB 3.29Å; E88-C91 PolarHBondContact O-N 3.23Å
92	S	94.6	Very high	93.5	Very high	62 Å²	62	41.8 Å²	41.8	43%	0.434	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	162.7	168.1	-57.8	0	0	0	0	110	M76 Y118	M76-S92 WeakPolarHBondContact CB-O 3.24Å; M76-S92 PolarHBondContact N-O 2.81Å; M76-S92 PolarHBondContact O-N 2.86Å; S92-Y118 VanDerWaalsContact CB-OH 3.23Å; S92-Y118 WeakPolarHBondContact CB-OH 3.33Å
93	Y	96.5	Very high	93.8	Very high	89 Å²	89	41.7 Å²	41.7	35%	0.349	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	146.9	-179.8	-66.7	-93.6	0	0	0	111.5	R73 F74 R75 E88	R73-Y93 HydrophobicContact CG-CD1 3.71Å; R73-Y93 HydrophobicContact CG-CG 4.38Å; F74-Y93 CarbonylContact O-C 3.38Å; F74-Y93 VanDerWaalsContact O-CA 3.3Å; F74-Y93 WeakPolarHBondContact O-CA 3.4Å; R75-Y93 HydrophobicContact CB-CD1 4.04Å; R75-Y93 HydrophobicContact CB-CE1 3.7Å; R75-Y93 HydrophobicContact CG-CD1 4.44Å; R75-Y93 HydrophobicContact CG-CE1 3.9Å; E88-Y93 WeakPolarHBondContact CB-OH 3.21Å; E88-Y93 PolarHBondContact O-OH 3.45Å; E88-Y93 VanDerWaalsContact O-OH 3.13Å
94	V	96.6	Very high	93.9	Very high	10 Å²	10	39.6 Å²	39.6	6%	0.061	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	129.6	176.4	173.7	0	0	0	0	108.8	F74 M76 A96 P114 F115 Y118	F74-V94 PolarHBondContact N-O 3.32Å; F74-V94 PolarHBondContact O-N 2.89Å; M76-V94 HydrophobicContact CG-CB 4.35Å; M76-V94 HydrophobicContact CG-CG2 3.79Å; M76-V94 HydrophobicContact SD-CG2 4.39Å; V94-A96 HydrophobicContact CG1-CB 4.07Å; V94-P114 HydrophobicContact CG1-CB 3.4Å; V94-P114 VanDerWaalsContact CG1-CB 3.4Å; V94-F115 HydrophobicContact CB-CD1 4.47Å; V94-F115 HydrophobicContact CB-CE1 4.19Å; V94-F115 HydrophobicContact CG1-CD1 4.16Å; V94-F115 HydrophobicContact CG1-CE1 4.02Å; V94-F115 HydrophobicContact CG1-CG 4.49Å; V94-F115 HydrophobicContact CG1-CZ 4.23Å; V94-Y118 HydrophobicContact CG2-CD2 3.89Å; V94-Y118 HydrophobicContact CG2-CE2 3.18Å
95	E	97.9	Very high	94.1	Very high	68 Å²	68	36.5 Å²	36.5	32%	0.318	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	124	164.7	-62	-63.5	152.8	0	0	108	R71 R73 P114	R71-E95 PolarHBondContact NH2-O 2.86Å; R73-E95 VanDerWaalsContact CB-OE1 3.23Å; R73-E95 WeakPolarHBondContact CB-OE1 3.26Å; R73-E95 WeakPolarHBondContact CG-OE1 3.49Å; R73-E95 IonicContact CZ-OE1 3.68Å; R73-E95 PolarHBondContact N-OE2 2.96Å; R73-E95 IonicContact NE-OE1 3.64Å; R73-E95 PolarHBondContact NE-OE1 3.21Å; R73-E95 IonicContact NH2-OE1 2.8Å; E95-P114 WeakPolarHBondContact O-CB 3.3Å
96	A	97.2	Very high	94	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	163.9	-179.1	0	0	0	0	0	111.6	I72 F74 V94 E100 P114 F115	I72-A96 PolarHBondContact N-O 2.93Å; I72-A96 PolarHBondContact O-N 3.35Å; F74-A96 HydrophobicContact CD2-CB 4.18Å; F74-A96 HydrophobicContact CE2-CB 4.19Å; V94-A96 HydrophobicContact CG1-CB 4.07Å; A96-E100 VanDerWaalsContact CA-OE2 3.28Å; A96-E100 WeakPolarHBondContact CA-OE2 3.47Å; A96-E100 HydrophobicContact CB-CB 4.2Å; A96-E100 WeakPolarHBondContact CB-OE2 3.2Å; A96-P114 HydrophobicContact CB-CB 4.08Å; A96-P114 HydrophobicContact CB-CG 4.15Å; A96-F115 HydrophobicContact CB-CD2 4.13Å; A96-F115 HydrophobicContact CB-CE2 3.27Å; A96-F115 HydrophobicContact CB-CZ 3.64Å
97	T	97.6	Very high	93.5	Very high	18 Å²	18	42.6 Å²	42.6	11%	0.11	23%	0.23	C	C	.	.			trans	-79.5	162.8	168.5	71.1	0	0	0	0	110.8	E99 E100 F101	T97-E99 PolarHBondContact O-N 3.48Å; T97-E99 PolarHBondContact OG1-N 3.41Å; T97-E100 PolarHBondContact N-OE2 2.83Å; T97-E100 PolarHBondContact O-N 3.14Å; T97-E100 WeakPolarHBondContact OG1-CG 3.45Å; T97-E100 PolarHBondContact OG1-N 3.14Å; T97-E100 VanDerWaalsContact OG1-N 3.13Å; T97-F101 PolarHBondContact O-N 3.4Å
98	L	97.2	Very high	93	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-30.7	172.3	-81.3	172.4	0	0	0	112.7	L63 L67 I72 F74 F101 L102 I165	L63-L98 HydrophobicContact CB-CD1 3.84Å; L67-L98 HydrophobicContact CB-CD1 4.38Å; L67-L98 HydrophobicContact CD1-CD1 3.77Å; I72-L98 HydrophobicContact CD1-CD1 4.1Å; I72-L98 HydrophobicContact CD1-CD2 4.43Å; I72-L98 HydrophobicContact CD1-CG 3.84Å; F74-L98 HydrophobicContact CE1-CD2 4.46Å; F74-L98 HydrophobicContact CZ-CD2 3.92Å; L98-F101 HydrophobicContact CD2-CD1 4.24Å; L98-F101 PolarHBondContact O-N 3.43Å; L98-L102 WeakPolarHBondContact O-CB 3.37Å; L98-L102 VanDerWaalsContact O-CG 3.25Å; L98-L102 WeakPolarHBondContact O-CG 3.19Å; L98-L102 PolarHBondContact O-N 3.45Å; L98-I165 HydrophobicContact CD1-CD1 3.95Å; L98-I165 HydrophobicContact CD2-CD1 3.56Å; L98-I165 HydrophobicContact CD2-CG2 4.3Å; L98-I165 HydrophobicContact CG-CD1 4.4Å
99	E	96.1	Very high	92	Very high	109 Å²	109	50 Å²	50	51%	0.509	28%	0.276	S	S	.	.	H	α-helix	trans	-64.3	-44.3	175.2	-175.5	178.8	-175.3	0	0	111.3	S64 T97 L102 T103	S64-E99 WeakPolarHBondContact OG-CA 3.42Å; S64-E99 PolarHBondContact OG-N 2.93Å; S64-E99 VanDerWaalsContact OG-N 3.14Å; T97-E99 PolarHBondContact O-N 3.48Å; T97-E99 PolarHBondContact OG1-N 3.41Å; E99-L102 PolarHBondContact O-N 3.05Å; E99-T103 WeakPolarHBondContact O-CB 3.47Å; E99-T103 PolarHBondContact O-N 3.18Å; E99-T103 PolarHBondContact O-OG1 3.34Å
100	E	96.4	Very high	90.9	Very high	58 Å²	58	50.1 Å²	50.1	27%	0.271	28%	0.28	S	S	.	.	H	α-helix	trans	-63	-41.7	174.6	-71.2	171.9	144.2	0	0	111.2	R71 A96 T97 T103 W104 P114 F115	R71-E100 IonicContact NH1-OE2 2.77Å; A96-E100 VanDerWaalsContact CA-OE2 3.28Å; A96-E100 WeakPolarHBondContact CA-OE2 3.47Å; A96-E100 HydrophobicContact CB-CB 4.2Å; A96-E100 WeakPolarHBondContact CB-OE2 3.2Å; T97-E100 PolarHBondContact N-OE2 2.83Å; T97-E100 PolarHBondContact O-N 3.14Å; T97-E100 WeakPolarHBondContact OG1-CG 3.45Å; T97-E100 PolarHBondContact OG1-N 3.14Å; T97-E100 VanDerWaalsContact OG1-N 3.13Å; E100-T103 PolarHBondContact O-N 3.25Å; E100-W104 WeakPolarHBondContact O-CB 3.36Å; E100-W104 PolarHBondContact O-N 3.3Å; E100-P114 VanDerWaalsContact CD-CD 3.48Å; E100-P114 WeakPolarHBondContact OE1-CD 3.27Å; E100-F115 HydrophobicContact CB-CD2 4.37Å; E100-F115 HydrophobicContact CB-CE2 4.22Å
101	F	96.8	Very high	89.9	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-45.6	174.5	162.6	-100.7	0	0	0	111.9	F74 T97 L98 W104 N105 F115 A125 I165	F74-F101 HydrophobicContact CD1-CD2 4Å; F74-F101 HydrophobicContact CD1-CG 4.41Å; F74-F101 HydrophobicContact CE1-CB 3.88Å; F74-F101 HydrophobicContact CE1-CD1 4.26Å; F74-F101 AromaticContact CE1-CD2 3.67Å; F74-F101 HydrophobicContact CE1-CD2 3.67Å; F74-F101 HydrophobicContact CE1-CE2 4.29Å; F74-F101 AromaticContact CE1-CG 3.66Å; F74-F101 HydrophobicContact CE1-CG 3.66Å; F74-F101 HydrophobicContact CE2-CB 4.26Å; F74-F101 HydrophobicContact CZ-CB 3.66Å; F74-F101 HydrophobicContact CZ-CD2 4.35Å; F74-F101 AromaticContact CZ-CG 3.95Å; F74-F101 HydrophobicContact CZ-CG 3.95Å; T97-F101 PolarHBondContact O-N 3.4Å; L98-F101 HydrophobicContact CD2-CD1 4.24Å; L98-F101 PolarHBondContact O-N 3.43Å; F101-W104 HydrophobicContact CD2-CE3 4.22Å; F101-W104 HydrophobicContact CD2-CZ3 4.41Å; F101-W104 HydrophobicContact CE2-CE3 4.48Å; F101-W104 HydrophobicContact CE2-CZ3 4.29Å; F101-W104 PolarHBondContact O-N 3.14Å; F101-N105 HydrophobicContact CE2-CB 4.2Å; F101-N105 HydrophobicContact CZ-CB 4.31Å; F101-N105 WeakPolarHBondContact O-CB 3.27Å; F101-N105 PolarHBondContact O-N 3.11Å; F101-F115 HydrophobicContact CB-CE2 3.99Å; F101-F115 HydrophobicContact CB-CZ 4.05Å; F101-F115 HydrophobicContact CD2-CZ 4.46Å; F101-A125 HydrophobicContact CD2-CB 4.07Å; F101-A125 HydrophobicContact CE2-CB 3.95Å; F101-I165 HydrophobicContact CE1-CG2 3.88Å; F101-I165 HydrophobicContact CZ-CG2 4.32Å
102	L	95.8	Very high	89.1	Confident	24 Å²	24	53.2 Å²	53.2	13%	0.126	30%	0.297	C	S	.	.	H	α-helix	trans	-65.2	-40.8	179	-73.6	172.2	0	0	0	111.7	A60 K61 L98 E99 N105 C106 V265	A60-L102 HydrophobicContact CB-CD2 3.88Å; K61-L102 HydrophobicContact CG-CD1 4.18Å; L98-L102 WeakPolarHBondContact O-CB 3.37Å; L98-L102 VanDerWaalsContact O-CG 3.25Å; L98-L102 WeakPolarHBondContact O-CG 3.19Å; L98-L102 PolarHBondContact O-N 3.45Å; E99-L102 PolarHBondContact O-N 3.05Å; L102-N105 PolarHBondContact O-N 3.26Å; L102-C106 WeakPolarHBondContact O-CA 3.49Å; L102-C106 VanDerWaalsContact O-CB 3.27Å; L102-C106 WeakPolarHBondContact O-CB 3.24Å; L102-C106 PolarHBondContact O-N 2.71Å; L102-V265 HydrophobicContact CD2-CG2 4.39Å
103	T	94.8	Very high	88.8	Confident	42 Å²	42	52.1 Å²	52.1	26%	0.258	30%	0.295	S	S	.	.	I	π-helix	trans	-61.4	-47.6	176	-56.9	0	0	0	0	110.9	E99 E100 D107 Q108	E99-T103 WeakPolarHBondContact O-CB 3.47Å; E99-T103 PolarHBondContact O-N 3.18Å; E99-T103 PolarHBondContact O-OG1 3.34Å; E100-T103 PolarHBondContact O-N 3.25Å; T103-D107 PolarHBondContact O-N 3.29Å; T103-Q108 PolarHBondContact O-N 3.48Å
104	W	95.4	Very high	88.7	Confident	10 Å²	10	49.6 Å²	49.6	4%	0.038	29%	0.29	C	S	.	.	I	π-helix	trans	-64.2	-41.4	177.1	170.5	78.7	0	0	0	112.5	M76 E100 F101 F115 Y118 H120 F123 A125	M76-W104 HydrophobicContact CE-CH2 3.95Å; M76-W104 HydrophobicContact CE-CZ2 3.91Å; E100-W104 WeakPolarHBondContact O-CB 3.36Å; E100-W104 PolarHBondContact O-N 3.3Å; F101-W104 HydrophobicContact CD2-CE3 4.22Å; F101-W104 HydrophobicContact CD2-CZ3 4.41Å; F101-W104 HydrophobicContact CE2-CE3 4.48Å; F101-W104 HydrophobicContact CE2-CZ3 4.29Å; F101-W104 PolarHBondContact O-N 3.14Å; W104-F115 HydrophobicContact CB-CB 3.92Å; W104-F115 HydrophobicContact CB-CD2 3.99Å; W104-F115 HydrophobicContact CB-CG 4.02Å; W104-F115 VanDerWaalsContact CD1-CB 3.41Å; W104-F115 HydrophobicContact CD2-CB 4.17Å; W104-F115 HydrophobicContact CD2-CD1 4.12Å; W104-F115 HydrophobicContact CD2-CG 4.12Å; W104-F115 HydrophobicContact CE3-CD1 4.37Å; W104-F115 HydrophobicContact CG-CB 3.55Å; W104-F115 HydrophobicContact CG-CD1 4.3Å; W104-F115 HydrophobicContact CG-CD2 4.3Å; W104-F115 AromaticContact CG-CG 3.82Å; W104-F115 HydrophobicContact CG-CG 3.82Å; W104-Y118 PolarHBondContact NE1-O 3.28Å; W104-H120 HydrophobicContact CZ2-CB 4.36Å; W104-F123 HydrophobicContact CZ2-CB 4.36Å; W104-A125 HydrophobicContact CE3-CB 4.3Å; W104-A125 HydrophobicContact CH2-CB 3.85Å; W104-A125 HydrophobicContact CZ3-CB 3.47Å; W104-A125 VanDerWaalsContact CZ3-CB 3.47Å
105	N	94.9	Very high	88.6	Confident	6 Å²	6	49.3 Å²	49.3	3%	0.032	29%	0.288	C	S	.	.	I	π-helix	trans	-84.7	-33.5	-172.2	-172	54.5	0	0	0	114.2	F101 L102 H120 S167 P264 V265	F101-N105 HydrophobicContact CE2-CB 4.2Å; F101-N105 HydrophobicContact CZ-CB 4.31Å; F101-N105 WeakPolarHBondContact O-CB 3.27Å; F101-N105 PolarHBondContact O-N 3.11Å; L102-N105 PolarHBondContact O-N 3.26Å; N105-H120 PolarHBondContact O-NE2 2.96Å; N105-H120 VanDerWaalsContact O-NE2 3.07Å; N105-H120 PolarHBondContact OD1-NE2 3.36Å; N105-S167 WeakPolarHBondContact OD1-CB 3.28Å; N105-P264 PolarHBondContact ND2-O 3.19Å; N105-V265 WeakPolarHBondContact ND2-CG2 3.49Å
106	C	89.9	Confident	88.3	Confident	62 Å²	62	54.1 Å²	54.1	42%	0.419	30%	0.303	S	S	.	.	I	π-helix	trans	-113.4	-49.1	-169.6	-52.9	0	0	0	0	113.1	L102	L102-C106 WeakPolarHBondContact O-CA 3.49Å; L102-C106 VanDerWaalsContact O-CB 3.27Å; L102-C106 WeakPolarHBondContact O-CB 3.24Å; L102-C106 PolarHBondContact O-N 2.71Å
107	D	82.9	Confident	88.1	Confident	107 Å²	107	59.8 Å²	59.8	57%	0.572	33%	0.333	S	S	*	.	I	π-helix	trans	-86.3	-38.2	-169.3	-63.6	-20.2	0	0	0	112.1	T103 S109	T103-D107 PolarHBondContact O-N 3.29Å; D107-S109 PolarHBondContact O-N 3.16Å
108	Q	79.1	Confident	87.9	Confident	105 Å²	105	60.6 Å²	60.6	49%	0.491	33%	0.334	S	S	.	.			trans	53.8	14.2	177.9	-53.3	-179.9	14.9	0	0	114.5	T103 H120	T103-Q108 PolarHBondContact O-N 3.48Å; Q108-H120 PolarHBondContact NE2-CE1 3.16Å; Q108-H120 PolarHBondContact NE2-ND1 3.26Å
109	S	66.6	Low	87.7	Confident	101 Å²	101	63.3 Å²	63.3	71%	0.706	35%	0.349	S	S	*	.	S	Bend	trans	-79.9	-18.8	-169.8	55.2	0	0	0	0	113.4	D107	D107-S109 PolarHBondContact O-N 3.16Å
110	S	62.1	Low	87.5	Confident	65 Å²	65	59.9 Å²	59.9	46%	0.455	33%	0.333	S	S	.	.			trans	-157.6	111	168.9	175.9	0	0	0	0	109.3	S112	S110-S112 PolarHBondContact O-N 2.97Å; S110-S112 PolarHBondContact OG-OG 2.83Å; S110-S112 VanDerWaalsContact OG-OG 3.1Å
111	I	67	Low	87.2	Confident	96 Å²	96	61 Å²	61	49%	0.492	35%	0.347	S	S	.	.			trans	-78.9	73.3	172.3	-59.8	172.9	0	0	0	107.7	R116	I111-R116 HydrophobicContact CG2-CB 4.28Å
112	S	75.1	Confident	87.1	Confident	84 Å²	84	66.7 Å²	66.7	59%	0.587	37%	0.372	S	S	*	.			trans	-115.4	157.9	172.7	52.4	0	0	0	0	110	S110	S110-S112 PolarHBondContact O-N 2.97Å; S110-S112 PolarHBondContact OG-OG 2.83Å; S110-S112 VanDerWaalsContact OG-OG 3.1Å
113	G	88.3	Confident	87.1	Confident	38 Å²	38	67.5 Å²	67.5	39%	0.392	38%	0.375	S	S	.	.	S	Bend	trans	89.3	-160.5	178	0	0	0	0	0	114	F115 R116	G113-F115 VanDerWaalsContact C-N 3.26Å; G113-F115 PolarHBondContact O-N 2.79Å; G113-R116 WeakPolarHBondContact O-CB 2.94Å; G113-R116 WeakPolarHBondContact O-CG 3.39Å; G113-R116 PolarHBondContact O-N 2.83Å; G113-R116 VanDerWaalsContact O-N 3.15Å
114	P	94.4	Very high	87.2	Confident	36 Å²	36	65.6 Å²	65.6	23%	0.234	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.9	-167	-25.7	35.7	0	0	0	115.2	V94 E95 A96 E100 R116	V94-P114 HydrophobicContact CG1-CB 3.4Å; V94-P114 VanDerWaalsContact CG1-CB 3.4Å; E95-P114 WeakPolarHBondContact O-CB 3.3Å; A96-P114 HydrophobicContact CB-CB 4.08Å; A96-P114 HydrophobicContact CB-CG 4.15Å; E100-P114 VanDerWaalsContact CD-CD 3.48Å; E100-P114 WeakPolarHBondContact OE1-CD 3.27Å; P114-R116 VanDerWaalsContact C-N 3.34Å
115	F	95.1	Very high	87.4	Confident	5 Å²	5	65.1 Å²	65.1	2%	0.022	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	4.1	179.8	-65.1	-78	0	0	0	114.3	F74 M76 V94 A96 E100 F101 W104 G113 D117 Y118 A125	F74-F115 HydrophobicContact CB-CE1 4.24Å; F74-F115 HydrophobicContact CB-CZ 4.3Å; F74-F115 HydrophobicContact CD1-CZ 4.5Å; F74-F115 AromaticContact CD2-CZ 3.84Å; F74-F115 HydrophobicContact CD2-CZ 3.84Å; F74-F115 HydrophobicContact CE2-CZ 4.3Å; F74-F115 HydrophobicContact CG-CE1 4.36Å; F74-F115 AromaticContact CG-CZ 3.96Å; F74-F115 HydrophobicContact CG-CZ 3.96Å; M76-F115 HydrophobicContact CE-CD1 3.97Å; M76-F115 HydrophobicContact CE-CE1 4.2Å; M76-F115 HydrophobicContact SD-CD1 4.01Å; M76-F115 HydrophobicContact SD-CE1 3.7Å; V94-F115 HydrophobicContact CB-CD1 4.47Å; V94-F115 HydrophobicContact CB-CE1 4.19Å; V94-F115 HydrophobicContact CG1-CD1 4.16Å; V94-F115 HydrophobicContact CG1-CE1 4.02Å; V94-F115 HydrophobicContact CG1-CG 4.49Å; V94-F115 HydrophobicContact CG1-CZ 4.23Å; A96-F115 HydrophobicContact CB-CD2 4.13Å; A96-F115 HydrophobicContact CB-CE2 3.27Å; A96-F115 HydrophobicContact CB-CZ 3.64Å; E100-F115 HydrophobicContact CB-CD2 4.37Å; E100-F115 HydrophobicContact CB-CE2 4.22Å; F101-F115 HydrophobicContact CB-CE2 3.99Å; F101-F115 HydrophobicContact CB-CZ 4.05Å; F101-F115 HydrophobicContact CD2-CZ 4.46Å; W104-F115 HydrophobicContact CB-CB 3.92Å; W104-F115 HydrophobicContact CB-CD2 3.99Å; W104-F115 HydrophobicContact CB-CG 4.02Å; W104-F115 VanDerWaalsContact CD1-CB 3.41Å; W104-F115 HydrophobicContact CD2-CB 4.17Å; W104-F115 HydrophobicContact CD2-CD1 4.12Å; W104-F115 HydrophobicContact CD2-CG 4.12Å; W104-F115 HydrophobicContact CE3-CD1 4.37Å; W104-F115 HydrophobicContact CG-CB 3.55Å; W104-F115 HydrophobicContact CG-CD1 4.3Å; W104-F115 HydrophobicContact CG-CD2 4.3Å; W104-F115 AromaticContact CG-CG 3.82Å; W104-F115 HydrophobicContact CG-CG 3.82Å; G113-F115 VanDerWaalsContact C-N 3.26Å; G113-F115 PolarHBondContact O-N 2.79Å; F115-D117 PolarHBondContact O-N 3.34Å; F115-Y118 PolarHBondContact O-N 2.88Å; F115-A125 HydrophobicContact CE1-CB 4.22Å
116	R	92.4	Very high	87.5	Confident	169 Å²	169	65 Å²	65	64%	0.638	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.6	-169.8	70.6	-176.9	-179.4	-167.6	-5.6	115.4	I111 G113 P114 Y118	I111-R116 HydrophobicContact CG2-CB 4.28Å; G113-R116 WeakPolarHBondContact O-CB 2.94Å; G113-R116 WeakPolarHBondContact O-CG 3.39Å; G113-R116 PolarHBondContact O-N 2.83Å; G113-R116 VanDerWaalsContact O-N 3.15Å; P114-R116 VanDerWaalsContact C-N 3.34Å; R116-Y118 VanDerWaalsContact C-N 3.28Å
117	D	92.4	Very high	87.9	Confident	119 Å²	119	62 Å²	62	64%	0.636	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-0.4	-176.7	-59.1	-47.6	0	0	0	112.1	F115	F115-D117 PolarHBondContact O-N 3.34Å
118	Y	93.9	Very high	88.4	Confident	34 Å²	34	57.3 Å²	57.3	13%	0.133	32%	0.315	C	S	.	.	S	Bend	trans	-115.6	103.5	-176.5	-59.1	-87.4	0	0	0	111.1	M76 S92 V94 W104 F115 R116 H120 F123	M76-Y118 HydrophobicContact CB-CD1 3.85Å; M76-Y118 HydrophobicContact CB-CE1 3.51Å; M76-Y118 HydrophobicContact CE-CD1 3.82Å; M76-Y118 HydrophobicContact CE-CD2 4.29Å; M76-Y118 HydrophobicContact CE-CE1 4.5Å; M76-Y118 HydrophobicContact CE-CG 3.68Å; M76-Y118 HydrophobicContact CG-CD1 3.98Å; M76-Y118 HydrophobicContact CG-CD2 4.48Å; M76-Y118 HydrophobicContact CG-CE1 3.68Å; M76-Y118 HydrophobicContact CG-CE2 4.25Å; M76-Y118 HydrophobicContact CG-CG 4.35Å; S92-Y118 VanDerWaalsContact CB-OH 3.23Å; S92-Y118 WeakPolarHBondContact CB-OH 3.33Å; V94-Y118 HydrophobicContact CG2-CD2 3.89Å; V94-Y118 HydrophobicContact CG2-CE2 3.18Å; W104-Y118 PolarHBondContact NE1-O 3.28Å; F115-Y118 PolarHBondContact O-N 2.88Å; R116-Y118 VanDerWaalsContact C-N 3.28Å; Y118-H120 PolarHBondContact O-N 3.36Å; Y118-F123 HydrophobicContact CD1-CB 4.5Å; Y118-F123 AromaticContact CD1-CD1 3.78Å; Y118-F123 HydrophobicContact CD1-CD1 3.78Å; Y118-F123 HydrophobicContact CD1-CD2 4.18Å; Y118-F123 AromaticContact CD1-CE1 3.96Å; Y118-F123 HydrophobicContact CD1-CE1 3.96Å; Y118-F123 HydrophobicContact CD1-CE2 4.35Å; Y118-F123 AromaticContact CD1-CG 3.9Å; Y118-F123 HydrophobicContact CD1-CG 3.9Å; Y118-F123 HydrophobicContact CD1-CZ 4.24Å; Y118-F123 HydrophobicContact CE1-CD1 4.43Å; Y118-F123 HydrophobicContact CE1-CE1 4.35Å
119	D	92	Very high	89	Confident	60 Å²	60	54.1 Å²	54.1	32%	0.321	30%	0.299	S	S	.	.			trans	-63.6	117.1	173.2	179.1	-13.9	0	0	0	110.5	S121 K122 F123	D119-S121 VanDerWaalsContact CG-OG 3.23Å; D119-S121 PolarHBondContact O-N 3.1Å; D119-S121 VanDerWaalsContact O-N 3.12Å; D119-S121 WeakPolarHBondContact OD1-CB 3.42Å; D119-S121 PolarHBondContact OD1-N 3.27Å; D119-S121 PolarHBondContact OD1-OG 2.84Å; D119-S121 PolarHBondContact OD2-OG 3.09Å; D119-K122 HydrophobicContact CB-CB 4.26Å; D119-K122 HydrophobicContact CB-CD 4.13Å; D119-K122 HydrophobicContact CB-CG 4.32Å; D119-K122 PolarHBondContact O-N 3.49Å; D119-K122 WeakPolarHBondContact OD2-CD 3.43Å; D119-K122 VanDerWaalsContact OD2-CE 3.27Å; D119-K122 WeakPolarHBondContact OD2-CE 3.25Å; D119-K122 IonicContact OD2-NZ 3.94Å; D119-K122 PolarHBondContact OD2-NZ 2.72Å; D119-F123 PolarHBondContact O-N 3.1Å
120	H	91.3	Very high	90.4	Very high	37 Å²	37	51 Å²	51	17%	0.171	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-33.4	-178.8	179.6	-94.9	0	0	0	112.9	K79 W104 N105 Q108 Y118 K122 F123	K79-H120 PolarHBondContact NZ-O 2.9Å; W104-H120 HydrophobicContact CZ2-CB 4.36Å; N105-H120 PolarHBondContact O-NE2 2.96Å; N105-H120 VanDerWaalsContact O-NE2 3.07Å; N105-H120 PolarHBondContact OD1-NE2 3.36Å; Q108-H120 PolarHBondContact NE2-CE1 3.16Å; Q108-H120 PolarHBondContact NE2-ND1 3.26Å; Y118-H120 PolarHBondContact O-N 3.36Å; H120-K122 VanDerWaalsContact C-N 3.25Å; H120-K122 PolarHBondContact O-N 2.8Å; H120-F123 VanDerWaalsContact O-O 3.08Å
121	S	91.6	Very high	92.1	Very high	82 Å²	82	53.8 Å²	53.8	57%	0.573	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-24.6	179	71	0	0	0	0	113	D119	D119-S121 VanDerWaalsContact CG-OG 3.23Å; D119-S121 PolarHBondContact O-N 3.1Å; D119-S121 VanDerWaalsContact O-N 3.12Å; D119-S121 WeakPolarHBondContact OD1-CB 3.42Å; D119-S121 PolarHBondContact OD1-N 3.27Å; D119-S121 PolarHBondContact OD1-OG 2.84Å; D119-S121 PolarHBondContact OD2-OG 3.09Å
122	K	93.9	Very high	93.5	Very high	119 Å²	119	49.2 Å²	49.2	52%	0.517	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-26.8	-175.3	-65.5	176	-172.7	137.6	0	113.5	M78 K79 D119 H120	M78-K122 CarbonylContact C-O 3.49Å; M78-K122 WeakPolarHBondContact CA-O 3.36Å; K79-K122 PolarHBondContact N-O 3.31Å; D119-K122 HydrophobicContact CB-CB 4.26Å; D119-K122 HydrophobicContact CB-CD 4.13Å; D119-K122 HydrophobicContact CB-CG 4.32Å; D119-K122 PolarHBondContact O-N 3.49Å; D119-K122 WeakPolarHBondContact OD2-CD 3.43Å; D119-K122 VanDerWaalsContact OD2-CE 3.27Å; D119-K122 WeakPolarHBondContact OD2-CE 3.25Å; D119-K122 IonicContact OD2-NZ 3.94Å; D119-K122 PolarHBondContact OD2-NZ 2.72Å; H120-K122 VanDerWaalsContact C-N 3.25Å; H120-K122 PolarHBondContact O-N 2.8Å
123	F	96.3	Very high	94.5	Very high	41 Å²	41	48.4 Å²	48.4	18%	0.18	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	147.7	-174.6	-68.5	-89.2	0	0	0	112.2	M76 G77 M78 K79 W104 Y118 D119 H120	M76-F123 HydrophobicContact CE-CB 4.19Å; G77-F123 CarbonylContact O-C 3.49Å; G77-F123 VanDerWaalsContact O-CA 3.27Å; G77-F123 WeakPolarHBondContact O-CA 3.26Å; G77-F123 WeakPolarHBondContact O-CD1 3.37Å; M78-F123 HydrophobicContact CG-CD1 4.19Å; M78-F123 HydrophobicContact CG-CE1 3.72Å; M78-F123 HydrophobicContact CG-CZ 4.26Å; K79-F123 WeakPolarHBondContact CE-O 3.37Å; K79-F123 PolarHBondContact NZ-O 2.87Å; K79-F123 VanDerWaalsContact NZ-O 3.1Å; W104-F123 HydrophobicContact CZ2-CB 4.36Å; Y118-F123 HydrophobicContact CD1-CB 4.5Å; Y118-F123 AromaticContact CD1-CD1 3.78Å; Y118-F123 HydrophobicContact CD1-CD1 3.78Å; Y118-F123 HydrophobicContact CD1-CD2 4.18Å; Y118-F123 AromaticContact CD1-CE1 3.96Å; Y118-F123 HydrophobicContact CD1-CE1 3.96Å; Y118-F123 HydrophobicContact CD1-CE2 4.35Å; Y118-F123 AromaticContact CD1-CG 3.9Å; Y118-F123 HydrophobicContact CD1-CG 3.9Å; Y118-F123 HydrophobicContact CD1-CZ 4.24Å; Y118-F123 HydrophobicContact CE1-CD1 4.43Å; Y118-F123 HydrophobicContact CE1-CE1 4.35Å; D119-F123 PolarHBondContact O-N 3.1Å; H120-F123 VanDerWaalsContact O-O 3.08Å
124	W	97.4	Very high	94.8	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	155.6	160.6	54.5	-102.7	0	0	0	108.7	R75 M76 G77 M78 K79 S167 A170 H171	R75-W124 HydrophobicContact CB-CZ3 4.47Å; R75-W124 HydrophobicContact CG-CH2 4.23Å; R75-W124 HydrophobicContact CG-CZ3 4.26Å; R75-W124 VanDerWaalsContact NH1-CH2 3.34Å; R75-W124 WeakPolarHBondContact O-CZ3 3.34Å; M76-W124 WeakPolarHBondContact CA-O 3.5Å; G77-W124 VanDerWaalsContact CA-CE2 3.43Å; G77-W124 PolarHBondContact N-O 2.83Å; G77-W124 VanDerWaalsContact N-O 3.13Å; G77-W124 PolarHBondContact O-N 2.81Å; G77-W124 PolarHBondContact O-NE1 2.88Å; M78-W124 PolarHBondContact O-NE1 3.04Å; M78-W124 VanDerWaalsContact O-NE1 3.15Å; K79-W124 HydrophobicContact CG-CB 4.39Å; W124-S167 VanDerWaalsContact CA-OG 3.27Å; W124-S167 WeakPolarHBondContact CA-OG 3.46Å; W124-S167 WeakPolarHBondContact CB-OG 3.38Å; W124-A170 HydrophobicContact CB-CB 4.27Å; W124-A170 HydrophobicContact CD2-CB 4.15Å; W124-A170 HydrophobicContact CE3-CB 3.76Å; W124-A170 HydrophobicContact CG-CB 4.39Å; W124-H171 AromaticContact CE2-CE1 3.88Å; W124-H171 AromaticContact CE2-ND1 3.96Å; W124-H171 AromaticContact CZ2-CE1 3.8Å; W124-H171 AromaticContact NE1-CE1 3.64Å; W124-H171 AromaticContact NE1-ND1 3.82Å
125	A	98.1	Very high	94.9	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.5	173.4	0	0	0	0	0	110.1	F74 R75 M76 F101 W104 F115 S167	F74-A125 HydrophobicContact CB-CB 4.45Å; F74-A125 HydrophobicContact CD1-CB 4.31Å; R75-A125 CarbonylContact O-C 3.59Å; R75-A125 WeakPolarHBondContact O-CA 3.44Å; M76-A125 HydrophobicContact CE-CB 3.86Å; M76-A125 HydrophobicContact SD-CB 3.5Å; M76-A125 VanDerWaalsContact SD-CB 3.5Å; F101-A125 HydrophobicContact CD2-CB 4.07Å; F101-A125 HydrophobicContact CE2-CB 3.95Å; W104-A125 HydrophobicContact CE3-CB 4.3Å; W104-A125 HydrophobicContact CH2-CB 3.85Å; W104-A125 HydrophobicContact CZ3-CB 3.47Å; W104-A125 VanDerWaalsContact CZ3-CB 3.47Å; F115-A125 HydrophobicContact CE1-CB 4.22Å; A125-S167 PolarHBondContact N-OG 2.79Å; A125-S167 PolarHBondContact O-N 3.43Å; A125-S167 PolarHBondContact O-OG 2.92Å
126	Y	98.3	Very high	94.9	Very high	3 Å²	3	48.9 Å²	48.9	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	117.7	-180	-158.9	-156.7	0	0	0	111	F74 R75 D128 W164 I165 A170 K191	F74-Y126 CarbonylContact C-O 3.27Å; F74-Y126 WeakPolarHBondContact CA-O 3.21Å; R75-Y126 PolarHBondContact N-O 3.07Å; R75-Y126 PolarHBondContact O-N 3.24Å; Y126-D128 HydrophobicContact CD1-CB 3.75Å; Y126-D128 WeakPolarHBondContact CD1-OD2 3.07Å; Y126-D128 HydrophobicContact CE1-CB 3.82Å; Y126-D128 HydrophobicContact CG-CB 4.25Å; Y126-D128 PolarHBondContact O-N 2.94Å; Y126-W164 HydrophobicContact CE1-CE3 4Å; Y126-W164 HydrophobicContact CE1-CZ3 4.23Å; Y126-W164 HydrophobicContact CE2-CB 4.25Å; Y126-W164 HydrophobicContact CE2-CE3 4.33Å; Y126-W164 AromaticContact CZ-CE3 3.61Å; Y126-I165 WeakPolarHBondContact CD2-O 3.48Å; Y126-A170 HydrophobicContact CD2-CB 4.01Å; Y126-A170 HydrophobicContact CG-CB 3.92Å; Y126-K191 PolarHBondContact OH-NZ 3.41Å
127	A	97.9	Very high	95	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	88.9	163.1	0	0	0	0	0	107.6	I72 F74 K130 W164 I165	I72-A127 HydrophobicContact CG2-CB 4.07Å; F74-A127 HydrophobicContact CD1-CB 3.79Å; F74-A127 HydrophobicContact CE1-CB 3.64Å; F74-A127 HydrophobicContact CG-CB 4.48Å; F74-A127 HydrophobicContact CZ-CB 4.22Å; A127-K130 HydrophobicContact CB-CG 4.2Å; A127-W164 WeakPolarHBondContact O-CA 3.5Å; A127-I165 HydrophobicContact CB-CB 4.28Å; A127-I165 PolarHBondContact N-O 3.28Å; A127-I165 PolarHBondContact O-N 2.92Å
128	D	93.3	Very high	95	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.043	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	154.1	177	38.1	16.3	0	0	0	112.4	R75 Y126 K130 W164	R75-D128 IonicContact CZ-OD2 2.79Å; R75-D128 IonicContact NE-OD2 2.7Å; R75-D128 PolarHBondContact NE-OD2 3.29Å; R75-D128 IonicContact NH2-OD2 3.11Å; R75-D128 PolarHBondContact NH2-OD2 2.82Å; Y126-D128 HydrophobicContact CD1-CB 3.75Å; Y126-D128 WeakPolarHBondContact CD1-OD2 3.07Å; Y126-D128 HydrophobicContact CE1-CB 3.82Å; Y126-D128 HydrophobicContact CG-CB 4.25Å; Y126-D128 PolarHBondContact O-N 2.94Å; D128-K130 WeakPolarHBondContact O-CD 3.19Å; D128-K130 WeakPolarHBondContact O-CE 3.2Å; D128-K130 PolarHBondContact O-N 3.1Å; D128-K130 PolarHBondContact O-NZ 2.7Å; D128-W164 HydrophobicContact CB-CE3 3.54Å; D128-W164 HydrophobicContact CB-CZ3 3.44Å; D128-W164 VanDerWaalsContact CB-CZ3 3.44Å
129	Y	91.5	Very high	95	Very high	37 Å²	37	49.7 Å²	49.7	15%	0.145	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	49.9	44.2	175.9	-65.4	-84.2	0	0	0	115.2	Y131 W164 W272	Y129-Y131 PolarHBondContact O-N 3.3Å; Y129-W164 AromaticContact CD1-CH2 3.62Å; Y129-W164 HydrophobicContact CD1-CH2 3.62Å; Y129-W164 AromaticContact CD1-CZ2 3.75Å; Y129-W164 HydrophobicContact CD1-CZ2 3.75Å; Y129-W164 AromaticContact CD2-CH2 3.48Å; Y129-W164 HydrophobicContact CD2-CH2 3.48Å; Y129-W164 VanDerWaalsContact CD2-CH2 3.48Å; Y129-W164 HydrophobicContact CD2-CZ2 4.36Å; Y129-W164 AromaticContact CD2-CZ3 3.7Å; Y129-W164 HydrophobicContact CD2-CZ3 3.7Å; Y129-W164 AromaticContact CE1-CH2 3.48Å; Y129-W164 HydrophobicContact CE1-CH2 3.48Å; Y129-W164 VanDerWaalsContact CE1-CH2 3.48Å; Y129-W164 AromaticContact CE1-CZ2 3.79Å; Y129-W164 HydrophobicContact CE1-CZ2 3.79Å; Y129-W164 AromaticContact CE2-CH2 3.32Å; Y129-W164 HydrophobicContact CE2-CH2 3.32Å; Y129-W164 HydrophobicContact CE2-CZ2 4.38Å; Y129-W164 AromaticContact CE2-CZ3 3.73Å; Y129-W164 HydrophobicContact CE2-CZ3 3.73Å; Y129-W164 AromaticContact CG-CH2 3.62Å; Y129-W164 HydrophobicContact CG-CH2 3.62Å; Y129-W164 HydrophobicContact CG-CZ2 4.04Å; Y129-W164 HydrophobicContact CG-CZ3 4.12Å; Y129-W164 AromaticContact CZ-CH2 3.33Å; Y129-W272 AromaticContact CD1-CH2 3.83Å; Y129-W272 HydrophobicContact CD1-CH2 3.83Å; Y129-W272 HydrophobicContact CD1-CZ2 4.45Å; Y129-W272 AromaticContact CE1-CH2 3.72Å; Y129-W272 HydrophobicContact CE1-CH2 3.72Å; Y129-W272 AromaticContact CE1-CZ2 3.88Å; Y129-W272 HydrophobicContact CE1-CZ2 3.88Å
130	K	96.6	Very high	95.1	Very high	36 Å²	36	50.8 Å²	50.8	16%	0.157	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	93.5	177.5	-53.4	-53.5	178.2	-127.7	0	110.6	I72 R73 A127 D128 F132 L135 T162 L163	I72-K130 HydrophobicContact CG2-CD 3.9Å; I72-K130 VanDerWaalsContact CG2-CE 3.43Å; I72-K130 HydrophobicContact CG2-CG 4.15Å; R73-K130 WeakPolarHBondContact O-CE 3.28Å; R73-K130 PolarHBondContact O-NZ 3.35Å; A127-K130 HydrophobicContact CB-CG 4.2Å; D128-K130 WeakPolarHBondContact O-CD 3.19Å; D128-K130 WeakPolarHBondContact O-CE 3.2Å; D128-K130 PolarHBondContact O-N 3.1Å; D128-K130 PolarHBondContact O-NZ 2.7Å; K130-F132 PolarHBondContact O-N 2.88Å; K130-L135 HydrophobicContact CB-CD2 3.98Å; K130-T162 CarbonylContact O-C 3.58Å; K130-T162 WeakPolarHBondContact O-CA 3.42Å; K130-L163 HydrophobicContact CB-CB 4.2Å; K130-L163 WeakPolarHBondContact CB-O 3.46Å; K130-L163 PolarHBondContact N-O 3.39Å; K130-L163 VanDerWaalsContact N-O 3.12Å; K130-L163 PolarHBondContact O-N 3.12Å
131	Y	96.7	Very high	95.3	Very high	123 Å²	123	54.8 Å²	54.8	48%	0.482	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	124.1	174.3	-66.2	-84.7	0	0	0	111.1	Y129 V133 S134 L135 T162	Y129-Y131 PolarHBondContact O-N 3.3Å; Y131-V133 VanDerWaalsContact C-N 3.26Å; Y131-V133 PolarHBondContact O-N 2.88Å; Y131-S134 PolarHBondContact O-N 2.85Å; Y131-S134 VanDerWaalsContact O-N 3.15Å; Y131-L135 WeakPolarHBondContact O-CB 3.33Å; Y131-L135 PolarHBondContact O-N 2.74Å; Y131-T162 HydrophobicContact CD1-CG2 3.44Å; Y131-T162 VanDerWaalsContact CD1-CG2 3.44Å; Y131-T162 HydrophobicContact CE1-CG2 3.58Å; Y131-T162 HydrophobicContact CG-CG2 3.95Å
132	F	96.4	Very high	95.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.4	-41	-179.6	-93.4	48.2	0	0	0	112	W58 K130 S134 L135 F136 F143 V146 G158 S161 L163 I269	W58-F132 AromaticContact CH2-CE2 3.64Å; W58-F132 HydrophobicContact CH2-CE2 3.64Å; W58-F132 AromaticContact CH2-CZ 3.81Å; W58-F132 HydrophobicContact CH2-CZ 3.81Å; W58-F132 AromaticContact CZ3-CE2 3.94Å; W58-F132 HydrophobicContact CZ3-CE2 3.94Å; W58-F132 AromaticContact CZ3-CZ 3.59Å; W58-F132 HydrophobicContact CZ3-CZ 3.59Å; K130-F132 PolarHBondContact O-N 2.88Å; F132-S134 PolarHBondContact O-N 2.96Å; F132-L135 PolarHBondContact O-N 2.97Å; F132-F136 HydrophobicContact CB-CD2 4.05Å; F132-F136 HydrophobicContact CB-CE2 4.48Å; F132-F136 HydrophobicContact CD1-CD2 4.31Å; F132-F136 AromaticContact CD1-CE2 3.89Å; F132-F136 HydrophobicContact CD1-CE2 3.89Å; F132-F136 AromaticContact CD2-CD2 3.9Å; F132-F136 HydrophobicContact CD2-CD2 3.9Å; F132-F136 AromaticContact CD2-CE2 3.89Å; F132-F136 HydrophobicContact CD2-CE2 3.89Å; F132-F136 HydrophobicContact CE1-CE2 4.1Å; F132-F136 HydrophobicContact CE2-CD2 4.49Å; F132-F136 HydrophobicContact CE2-CE2 4.08Å; F132-F136 AromaticContact CG-CD2 3.79Å; F132-F136 HydrophobicContact CG-CD2 3.79Å; F132-F136 AromaticContact CG-CE2 3.79Å; F132-F136 HydrophobicContact CG-CE2 3.79Å; F132-F136 HydrophobicContact CZ-CE2 4.18Å; F132-F136 PolarHBondContact O-N 3.35Å; F132-F143 HydrophobicContact CB-CD1 4.21Å; F132-F143 HydrophobicContact CB-CE1 3.82Å; F132-F143 AromaticContact CD2-CD1 3.91Å; F132-F143 HydrophobicContact CD2-CD1 3.91Å; F132-F143 HydrophobicContact CD2-CE1 4.25Å; F132-V146 HydrophobicContact CE2-CG2 3.97Å; F132-V146 HydrophobicContact CZ-CG2 4.26Å; F132-G158 WeakPolarHBondContact CB-O 3.3Å; F132-G158 WeakPolarHBondContact CD2-O 3.33Å; F132-G158 WeakPolarHBondContact CG-O 3.34Å; F132-S161 PolarHBondContact N-O 2.98Å; F132-S161 VanDerWaalsContact N-O 3.11Å; F132-L163 HydrophobicContact CD1-CB 4.07Å; F132-L163 HydrophobicContact CE1-CB 3.63Å; F132-L163 HydrophobicContact CE1-CD1 4.14Å; F132-L163 HydrophobicContact CE1-CG 4.39Å; F132-I269 HydrophobicContact CE1-CG1 4.37Å; F132-I269 HydrophobicContact CE1-CG2 4.12Å; F132-I269 HydrophobicContact CZ-CD1 3.98Å; F132-I269 HydrophobicContact CZ-CG1 4.07Å; F132-I269 HydrophobicContact CZ-CG2 3.98Å
133	V	95.9	Very high	95.6	Very high	67 Å²	67	45.9 Å²	45.9	41%	0.406	23%	0.234	S	C	.	.	H	α-helix	trans	-56.9	-33.2	179.2	-68.3	0	0	0	0	113.4	Y131 F143 Q159	Y131-V133 VanDerWaalsContact C-N 3.26Å; Y131-V133 PolarHBondContact O-N 2.88Å; V133-F143 HydrophobicContact CG1-CZ 4.42Å; V133-Q159 HydrophobicContact CG1-CB 4.24Å; V133-Q159 HydrophobicContact CG1-CG 4.48Å; V133-Q159 WeakPolarHBondContact CG1-O 3.23Å
134	S	95.6	Very high	95.6	Very high	75 Å²	75	49.6 Å²	49.6	52%	0.524	25%	0.252	S	S	.	.	H	α-helix	trans	-90.8	-38.2	176	-51	0	0	0	0	111.8	K70 Y131 F132	K70-S134 PolarHBondContact NZ-O 2.98Å; Y131-S134 PolarHBondContact O-N 2.85Å; Y131-S134 VanDerWaalsContact O-N 3.15Å; F132-S134 PolarHBondContact O-N 2.96Å
135	L	96.2	Very high	95.6	Very high	12 Å²	12	51.1 Å²	51.1	6%	0.063	26%	0.259	C	S	.	.	H	α-helix	trans	-70.3	-38.6	-176.2	-172.6	63.8	0	0	0	112.1	L67 K70 I72 K130 Y131 F132 L163	L67-L135 HydrophobicContact CD1-CD1 4.1Å; L67-L135 HydrophobicContact CD1-CD2 3.84Å; L67-L135 HydrophobicContact CD1-CG 3.97Å; L67-L135 HydrophobicContact CD2-CD1 4.14Å; L67-L135 HydrophobicContact CD2-CG 3.92Å; L67-L135 WeakPolarHBondContact CD2-O 3.41Å; K70-L135 WeakPolarHBondContact CD-O 3.33Å; K70-L135 WeakPolarHBondContact CE-O 3.13Å; K70-L135 PolarHBondContact NZ-O 3.35Å; I72-L135 HydrophobicContact CD1-CD1 3.86Å; I72-L135 HydrophobicContact CG1-CD1 3.94Å; K130-L135 HydrophobicContact CB-CD2 3.98Å; Y131-L135 WeakPolarHBondContact O-CB 3.33Å; Y131-L135 PolarHBondContact O-N 2.74Å; F132-L135 PolarHBondContact O-N 2.97Å; L135-L163 HydrophobicContact CD2-CB 4.27Å; L135-L163 HydrophobicContact CD2-CD2 3.56Å
136	F	96.1	Very high	95.6	Very high	3 Å²	3	51.1 Å²	51.1	1%	0.013	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	32.9	-177.8	-51.8	-80	0	0	0	112.4	L63 V66 L67 F132 D138 K139 I142 F143 L163	L63-F136 HydrophobicContact CD2-CE1 4.45Å; L63-F136 HydrophobicContact CD2-CZ 4.1Å; V66-F136 HydrophobicContact CG1-CD1 4Å; V66-F136 HydrophobicContact CG1-CE1 3.76Å; L67-F136 HydrophobicContact CD1-CE1 3.86Å; L67-F136 HydrophobicContact CD1-CZ 4.14Å; L67-F136 HydrophobicContact CD2-CD1 3.6Å; L67-F136 HydrophobicContact CD2-CE1 3.53Å; L67-F136 HydrophobicContact CD2-CZ 4.42Å; L67-F136 HydrophobicContact CG-CD1 4.28Å; L67-F136 HydrophobicContact CG-CE1 3.72Å; L67-F136 HydrophobicContact CG-CZ 4.5Å; F132-F136 HydrophobicContact CB-CD2 4.05Å; F132-F136 HydrophobicContact CB-CE2 4.48Å; F132-F136 HydrophobicContact CD1-CD2 4.31Å; F132-F136 AromaticContact CD1-CE2 3.89Å; F132-F136 HydrophobicContact CD1-CE2 3.89Å; F132-F136 AromaticContact CD2-CD2 3.9Å; F132-F136 HydrophobicContact CD2-CD2 3.9Å; F132-F136 AromaticContact CD2-CE2 3.89Å; F132-F136 HydrophobicContact CD2-CE2 3.89Å; F132-F136 HydrophobicContact CE1-CE2 4.1Å; F132-F136 HydrophobicContact CE2-CD2 4.49Å; F132-F136 HydrophobicContact CE2-CE2 4.08Å; F132-F136 AromaticContact CG-CD2 3.79Å; F132-F136 HydrophobicContact CG-CD2 3.79Å; F132-F136 AromaticContact CG-CE2 3.79Å; F132-F136 HydrophobicContact CG-CE2 3.79Å; F132-F136 HydrophobicContact CZ-CE2 4.18Å; F132-F136 PolarHBondContact O-N 3.35Å; F136-D138 PolarHBondContact O-N 3.37Å; F136-D138 VanDerWaalsContact O-N 3.1Å; F136-K139 HydrophobicContact CB-CB 4.44Å; F136-K139 CarbonylContact O-C 3.43Å; F136-K139 VanDerWaalsContact O-C 3.27Å; F136-K139 PolarHBondContact O-N 2.85Å; F136-I142 HydrophobicContact CB-CG2 3.67Å; F136-I142 HydrophobicContact CD1-CD1 4Å; F136-I142 HydrophobicContact CD1-CG2 3.91Å; F136-I142 HydrophobicContact CD2-CG2 3.89Å; F136-I142 HydrophobicContact CE1-CD1 3.73Å; F136-I142 HydrophobicContact CE2-CG2 4.48Å; F136-I142 HydrophobicContact CG-CG2 3.57Å; F136-I142 HydrophobicContact CZ-CD1 4.17Å; F136-F143 HydrophobicContact CB-CE1 3.92Å; F136-F143 HydrophobicContact CD2-CE1 4.41Å; F136-L163 HydrophobicContact CE2-CD2 4.47Å; F136-L163 HydrophobicContact CZ-CD2 4.17Å
137	E	93.6	Very high	95.6	Very high	115 Å²	115	54.1 Å²	54.1	54%	0.537	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-34.9	179.6	71.7	-159.3	139.8	0	0	113.5	K70	K70-E137 IonicContact NZ-OE1 2.85Å; K70-E137 PolarHBondContact NZ-OE1 3.27Å
138	D	93.1	Very high	95.6	Very high	136 Å²	136	54.1 Å²	54.1	73%	0.727	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	0.5	178.7	-56.7	-46.5	0	0	0	114.1	F136	F136-D138 PolarHBondContact O-N 3.37Å; F136-D138 VanDerWaalsContact O-N 3.1Å
139	K	93.3	Very high	95.8	Very high	88 Å²	88	56 Å²	56	38%	0.383	29%	0.286	S	S	.	.			trans	-142.4	57.2	-173.4	-61.4	-168.3	-179	81.7	0	111.2	V66 F136 D141 I142	V66-K139 HydrophobicContact CG1-CD 3.92Å; V66-K139 WeakPolarHBondContact O-CE 3.37Å; V66-K139 PolarHBondContact O-NZ 3.05Å; F136-K139 HydrophobicContact CB-CB 4.44Å; F136-K139 CarbonylContact O-C 3.43Å; F136-K139 VanDerWaalsContact O-C 3.27Å; F136-K139 PolarHBondContact O-N 2.85Å; K139-D141 WeakPolarHBondContact CA-OD1 3.44Å; K139-D141 PolarHBondContact O-N 2.81Å; K139-I142 WeakPolarHBondContact O-CB 3.26Å; K139-I142 WeakPolarHBondContact O-CG2 3.39Å; K139-I142 PolarHBondContact O-N 2.9Å
140	T	93.2	Very high	96.1	Very high	82 Å²	82	55.3 Å²	55.3	50%	0.503	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-72	-14.4	-172.4	57.8	0	0	0	0	114	I142 F143	T140-I142 PolarHBondContact O-N 2.82Å; T140-F143 HydrophobicContact CG2-CD2 4.46Å; T140-F143 HydrophobicContact CG2-CE2 3.68Å; T140-F143 HydrophobicContact CG2-CZ 4.06Å; T140-F143 WeakPolarHBondContact O-CB 3.33Å; T140-F143 WeakPolarHBondContact O-CD2 3.46Å; T140-F143 WeakPolarHBondContact O-CG 3.26Å; T140-F143 PolarHBondContact O-N 2.99Å
141	D	95.6	Very high	96.1	Very high	121 Å²	121	53.6 Å²	53.6	65%	0.647	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-58.6	-33.2	171.6	54.9	-42.7	0	0	0	112.2	K139 F143 Q144	K139-D141 WeakPolarHBondContact CA-OD1 3.44Å; K139-D141 PolarHBondContact O-N 2.81Å; D141-F143 PolarHBondContact O-N 2.8Å; D141-Q144 PolarHBondContact O-N 2.99Å; D141-Q144 VanDerWaalsContact O-N 3.14Å
142	I	95.8	Very high	96.1	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.036	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-61.6	-18.3	178	-154.5	164.7	0	0	0	113.5	W58 V66 F136 K139 T140 Q144 D145	W58-I142 HydrophobicContact CH2-CD1 3.77Å; W58-I142 HydrophobicContact CH2-CG1 3.58Å; W58-I142 HydrophobicContact CZ2-CD1 3.63Å; W58-I142 HydrophobicContact CZ2-CG1 3.26Å; V66-I142 HydrophobicContact CG1-CD1 3.65Å; V66-I142 HydrophobicContact CG2-CD1 4.44Å; F136-I142 HydrophobicContact CB-CG2 3.67Å; F136-I142 HydrophobicContact CD1-CD1 4Å; F136-I142 HydrophobicContact CD1-CG2 3.91Å; F136-I142 HydrophobicContact CD2-CG2 3.89Å; F136-I142 HydrophobicContact CE1-CD1 3.73Å; F136-I142 HydrophobicContact CE2-CG2 4.48Å; F136-I142 HydrophobicContact CG-CG2 3.57Å; F136-I142 HydrophobicContact CZ-CD1 4.17Å; K139-I142 WeakPolarHBondContact O-CB 3.26Å; K139-I142 WeakPolarHBondContact O-CG2 3.39Å; K139-I142 PolarHBondContact O-N 2.9Å; T140-I142 PolarHBondContact O-N 2.82Å; I142-Q144 PolarHBondContact O-N 3.09Å; I142-D145 WeakPolarHBondContact O-CB 3.3Å; I142-D145 PolarHBondContact O-N 3.47Å
143	F	96.8	Very high	96.1	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.035	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-64.2	-26.2	178.6	-58.2	-21.5	0	0	0	112.1	F132 V133 F136 T140 D141 D145 N157 G158 Q159	F132-F143 HydrophobicContact CB-CD1 4.21Å; F132-F143 HydrophobicContact CB-CE1 3.82Å; F132-F143 AromaticContact CD2-CD1 3.91Å; F132-F143 HydrophobicContact CD2-CD1 3.91Å; F132-F143 HydrophobicContact CD2-CE1 4.25Å; V133-F143 HydrophobicContact CG1-CZ 4.42Å; F136-F143 HydrophobicContact CB-CE1 3.92Å; F136-F143 HydrophobicContact CD2-CE1 4.41Å; T140-F143 HydrophobicContact CG2-CD2 4.46Å; T140-F143 HydrophobicContact CG2-CE2 3.68Å; T140-F143 HydrophobicContact CG2-CZ 4.06Å; T140-F143 WeakPolarHBondContact O-CB 3.33Å; T140-F143 WeakPolarHBondContact O-CD2 3.46Å; T140-F143 WeakPolarHBondContact O-CG 3.26Å; T140-F143 PolarHBondContact O-N 2.99Å; D141-F143 PolarHBondContact O-N 2.8Å; F143-D145 VanDerWaalsContact C-N 3.26Å; F143-D145 PolarHBondContact O-N 2.9Å; F143-N157 WeakPolarHBondContact O-CB 3.32Å; F143-G158 PolarHBondContact O-N 2.87Å; F143-Q159 HydrophobicContact CB-CG 4.31Å; F143-Q159 HydrophobicContact CD2-CG 3.31Å; F143-Q159 HydrophobicContact CE2-CG 3.75Å; F143-Q159 HydrophobicContact CG-CG 3.95Å
144	Q	96.9	Very high	96	Very high	119 Å²	119	50.8 Å²	50.8	56%	0.556	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-76.2	-12	-179.9	-58.4	-60.1	-26.6	0	0	113.7	D141 I142 V146 N157	D141-Q144 PolarHBondContact O-N 2.99Å; D141-Q144 VanDerWaalsContact O-N 3.14Å; I142-Q144 PolarHBondContact O-N 3.09Å; Q144-V146 PolarHBondContact O-N 3.13Å; Q144-N157 PolarHBondContact NE2-ND2 3.2Å
145	D	97.8	Very high	95.8	Very high	32 Å²	32	50.4 Å²	50.4	17%	0.171	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-71.1	-15.8	177.6	-75	5	0	0	0	112.6	P54 A55 W58 I142 F143	P54-D145 HydrophobicContact CB-CB 3.84Å; P54-D145 WeakPolarHBondContact CB-OD1 3.46Å; P54-D145 WeakPolarHBondContact CD-O 3.27Å; P54-D145 HydrophobicContact CG-CB 4.43Å; A55-D145 HydrophobicContact CB-CB 4.13Å; A55-D145 WeakPolarHBondContact CB-O 3.23Å; A55-D145 PolarHBondContact N-O 3.41Å; A55-D145 VanDerWaalsContact N-O 3.1Å; W58-D145 HydrophobicContact CH2-CB 4.41Å; W58-D145 HydrophobicContact CZ2-CB 3.45Å; W58-D145 VanDerWaalsContact CZ2-CB 3.45Å; W58-D145 VanDerWaalsContact CZ2-OD2 3.28Å; W58-D145 WeakPolarHBondContact CZ2-OD2 3.27Å; W58-D145 PolarHBondContact NE1-OD2 3.26Å; I142-D145 WeakPolarHBondContact O-CB 3.3Å; I142-D145 PolarHBondContact O-N 3.47Å; F143-D145 VanDerWaalsContact C-N 3.26Å; F143-D145 PolarHBondContact O-N 2.9Å
146	V	98	Very high	95.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.287	C	S	.	.			trans	-114.8	121.9	-179.9	-176.3	0	0	0	0	108.3	W53 A55 W58 F132 Q144 W148 N157 I269	W53-V146 HydrophobicContact CE3-CG1 4.18Å; W53-V146 HydrophobicContact CH2-CG1 4.28Å; W53-V146 HydrophobicContact CZ3-CB 4.36Å; W53-V146 HydrophobicContact CZ3-CG1 3.56Å; A55-V146 HydrophobicContact CB-CG2 3.91Å; W58-V146 HydrophobicContact CH2-CG2 4.5Å; F132-V146 HydrophobicContact CE2-CG2 3.97Å; F132-V146 HydrophobicContact CZ-CG2 4.26Å; Q144-V146 PolarHBondContact O-N 3.13Å; V146-W148 HydrophobicContact CG1-CD2 4.35Å; V146-W148 HydrophobicContact CG1-CG 4.46Å; V146-W148 HydrophobicContact CG1-CZ2 4.01Å; V146-N157 WeakPolarHBondContact O-CA 3.22Å; V146-N157 VanDerWaalsContact O-CB 3.26Å; V146-N157 WeakPolarHBondContact O-CB 3.36Å; V146-I269 HydrophobicContact CG1-CG2 4.35Å; V146-I269 HydrophobicContact CG2-CD1 3.96Å; V146-I269 HydrophobicContact CG2-CG2 4.41Å
147	K	97.4	Very high	95.8	Very high	67 Å²	67	52.1 Å²	52.1	29%	0.291	29%	0.291	S	S	.	.			trans	-124.2	64.1	-166.3	-58.3	174.8	-178.5	170.6	0	112.7	W53 S149 D150	W53-K147 HydrophobicContact CD2-CB 4.25Å; W53-K147 HydrophobicContact CZ2-CB 4Å; W53-K147 WeakPolarHBondContact CZ2-O 3.46Å; K147-S149 PolarHBondContact O-N 2.98Å; K147-D150 WeakPolarHBondContact O-CB 3.37Å; K147-D150 PolarHBondContact O-N 3.41Å
148	W	98.1	Very high	95.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-59.5	-12.3	179.7	-57.6	114	0	0	0	114	W53 V146 D150 F151 F153 R156 S161 L183 F185 V248 I269 S271	W53-W148 AromaticContact CH2-CD2 3.83Å; W53-W148 HydrophobicContact CH2-CD2 3.83Å; W53-W148 AromaticContact CH2-CE3 3.6Å; W53-W148 HydrophobicContact CH2-CE3 3.6Å; W53-W148 HydrophobicContact CH2-CG 4.39Å; W53-W148 HydrophobicContact CH2-CH2 4.38Å; W53-W148 AromaticContact CH2-CZ3 3.88Å; W53-W148 HydrophobicContact CH2-CZ3 3.88Å; W53-W148 HydrophobicContact CZ3-CD2 4.39Å; W53-W148 HydrophobicContact CZ3-CE3 4.35Å; W53-W148 HydrophobicContact CZ3-CH2 4.39Å; W53-W148 HydrophobicContact CZ3-CZ2 4.44Å; W53-W148 HydrophobicContact CZ3-CZ3 4.33Å; V146-W148 HydrophobicContact CG1-CD2 4.35Å; V146-W148 HydrophobicContact CG1-CG 4.46Å; V146-W148 HydrophobicContact CG1-CZ2 4.01Å; W148-D150 PolarHBondContact O-N 3.32Å; W148-F151 AromaticContact CE3-CD2 3.97Å; W148-F151 HydrophobicContact CE3-CD2 3.97Å; W148-F151 HydrophobicContact CE3-CE2 4.36Å; W148-F151 HydrophobicContact CZ3-CD2 4.38Å; W148-F151 HydrophobicContact CZ3-CE2 4.36Å; W148-F151 PolarHBondContact O-N 2.85Å; W148-F153 PolarHBondContact O-N 2.83Å; W148-R156 HydrophobicContact CB-CB 3.95Å; W148-R156 HydrophobicContact CB-CG 3.97Å; W148-R156 WeakPolarHBondContact CB-O 3.46Å; W148-R156 HydrophobicContact CG-CG 4.24Å; W148-R156 PolarHBondContact N-O 3.06Å; W148-S161 PolarHBondContact NE1-OG 3.27Å; W148-L183 HydrophobicContact CE3-CB 4.15Å; W148-L183 HydrophobicContact CE3-CD1 3.94Å; W148-L183 HydrophobicContact CH2-CB 4.08Å; W148-L183 WeakPolarHBondContact CH2-O 3.49Å; W148-L183 HydrophobicContact CZ3-CB 3.59Å; W148-L183 HydrophobicContact CZ3-CD1 4.14Å; W148-F185 HydrophobicContact CH2-CB 4Å; W148-V248 HydrophobicContact CZ3-CG1 4.3Å; W148-I269 HydrophobicContact CZ2-CG2 4.26Å; W148-S271 VanDerWaalsContact CE2-CB 3.46Å
149	S	96.9	Very high	96	Very high	47 Å²	47	44.9 Å²	44.9	33%	0.329	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-51.9	-31.9	164.5	56.8	0	0	0	0	113.8	P30 K147 F151 G152 F153	P30-S149 WeakPolarHBondContact CB-O 3.25Å; K147-S149 PolarHBondContact O-N 2.98Å; S149-F151 PolarHBondContact O-N 3.16Å; S149-G152 WeakPolarHBondContact O-CA 3.15Å; S149-G152 PolarHBondContact O-N 3.33Å; S149-F153 WeakPolarHBondContact CA-O 3.2Å; S149-F153 PolarHBondContact N-O 3.05Å
150	D	97.3	Very high	96.1	Very high	24 Å²	24	44 Å²	44	13%	0.128	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-67.3	-17.7	176.6	-67.4	-41.4	0	0	0	113.4	K26 M49 W53 K147 W148	K26-D150 HydrophobicContact CD-CB 4.32Å; K26-D150 IonicContact NZ-OD1 2.96Å; K26-D150 PolarHBondContact NZ-OD1 3.25Å; K26-D150 IonicContact NZ-OD2 2.66Å; K26-D150 PolarHBondContact NZ-OD2 3.08Å; M49-D150 WeakPolarHBondContact CE-O 3.49Å; W53-D150 HydrophobicContact CZ2-CB 4.34Å; W53-D150 PolarHBondContact NE1-OD2 2.92Å; K147-D150 WeakPolarHBondContact O-CB 3.37Å; K147-D150 PolarHBondContact O-N 3.41Å; W148-D150 PolarHBondContact O-N 3.32Å
151	F	97.9	Very high	96.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-98.1	12	172.1	-67.3	-89.3	0	0	0	112.2	A33 K34 I37 F46 M49 V50 W53 W148 S149 F153 L183 V248	A33-F151 HydrophobicContact CB-CD1 4.38Å; K34-F151 PolarHBondContact N-O 2.86Å; I37-F151 HydrophobicContact CD1-CB 3.94Å; I37-F151 HydrophobicContact CD1-CD1 3.89Å; I37-F151 HydrophobicContact CD1-CG 4.37Å; F46-F151 HydrophobicContact CB-CE1 3.91Å; F46-F151 HydrophobicContact CB-CZ 4.4Å; F46-F151 AromaticContact CD1-CE1 3.97Å; F46-F151 HydrophobicContact CD1-CE1 3.97Å; F46-F151 HydrophobicContact CD2-CE1 4.12Å; F46-F151 AromaticContact CG-CE1 3.75Å; F46-F151 HydrophobicContact CG-CE1 3.75Å; M49-F151 HydrophobicContact CB-CE1 4.08Å; M49-F151 HydrophobicContact CB-CE2 4.25Å; M49-F151 HydrophobicContact CB-CZ 3.56Å; M49-F151 HydrophobicContact CE-CD1 4.43Å; M49-F151 HydrophobicContact CE-CE1 4.33Å; M49-F151 HydrophobicContact CG-CE1 4.16Å; M49-F151 HydrophobicContact CG-CZ 4.16Å; V50-F151 HydrophobicContact CG1-CE2 3.95Å; V50-F151 HydrophobicContact CG1-CZ 4.2Å; W53-F151 HydrophobicContact CH2-CD2 4.29Å; W53-F151 HydrophobicContact CH2-CE2 4.06Å; W53-F151 HydrophobicContact CZ2-CD2 4.04Å; W53-F151 AromaticContact CZ2-CE2 3.8Å; W53-F151 HydrophobicContact CZ2-CE2 3.8Å; W148-F151 AromaticContact CE3-CD2 3.97Å; W148-F151 HydrophobicContact CE3-CD2 3.97Å; W148-F151 HydrophobicContact CE3-CE2 4.36Å; W148-F151 HydrophobicContact CZ3-CD2 4.38Å; W148-F151 HydrophobicContact CZ3-CE2 4.36Å; W148-F151 PolarHBondContact O-N 2.85Å; S149-F151 PolarHBondContact O-N 3.16Å; F151-F153 HydrophobicContact CB-CD2 3.93Å; F151-F153 HydrophobicContact CB-CE2 4.03Å; F151-F153 WeakPolarHBondContact O-CD2 3.47Å; F151-F153 WeakPolarHBondContact O-CE2 3.35Å; F151-L183 HydrophobicContact CB-CD1 4.01Å; F151-L183 HydrophobicContact CD1-CD1 4.43Å; F151-L183 HydrophobicContact CG-CD1 4.13Å; F151-V248 HydrophobicContact CE1-CB 4.4Å; F151-V248 HydrophobicContact CE1-CG1 4.24Å; F151-V248 HydrophobicContact CE2-CG2 4.26Å; F151-V248 HydrophobicContact CZ-CB 3.88Å; F151-V248 HydrophobicContact CZ-CG1 3.9Å; F151-V248 HydrophobicContact CZ-CG2 3.74Å
152	G	97	Very high	96.4	Very high	7 Å²	7	34.5 Å²	34.5	7%	0.072	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	25.5	177.6	0	0	0	0	0	115.2	P30 K34 S149 P154	P30-G152 WeakPolarHBondContact O-CA 3.27Å; P30-G152 PolarHBondContact O-N 3.31Å; K34-G152 WeakPolarHBondContact CD-O 3.16Å; K34-G152 PolarHBondContact NZ-O 3.1Å; S149-G152 WeakPolarHBondContact O-CA 3.15Å; S149-G152 PolarHBondContact O-N 3.33Å; G152-P154 VanDerWaalsContact C-CD 3.43Å; G152-P154 WeakPolarHBondContact O-CD 3.23Å
153	F	96.3	Very high	96.5	Very high	13 Å²	13	34.2 Å²	34.2	6%	0.057	19%	0.194	C	C	.	.			trans	-111	75.3	171.6	-55	-74.1	0	0	0	110.1	K34 I37 M38 W148 S149 F151 G155 R156 L183 I273	K34-F153 HydrophobicContact CG-CZ 4.48Å; I37-F153 HydrophobicContact CD1-CE2 3.9Å; I37-F153 HydrophobicContact CD1-CZ 4.43Å; I37-F153 HydrophobicContact CG2-CZ 4.12Å; M38-F153 HydrophobicContact CE-CE1 3.45Å; M38-F153 VanDerWaalsContact CE-CE1 3.45Å; M38-F153 HydrophobicContact CE-CZ 3.66Å; W148-F153 PolarHBondContact O-N 2.83Å; S149-F153 WeakPolarHBondContact CA-O 3.2Å; S149-F153 PolarHBondContact N-O 3.05Å; F151-F153 HydrophobicContact CB-CD2 3.93Å; F151-F153 HydrophobicContact CB-CE2 4.03Å; F151-F153 WeakPolarHBondContact O-CD2 3.47Å; F151-F153 WeakPolarHBondContact O-CE2 3.35Å; F153-G155 PolarHBondContact O-N 3.13Å; F153-R156 HydrophobicContact CB-CB 3.85Å; F153-R156 VanDerWaalsContact O-CB 3.28Å; F153-R156 WeakPolarHBondContact O-CB 3.39Å; F153-R156 PolarHBondContact O-N 3.33Å; F153-R156 VanDerWaalsContact O-N 3.13Å; F153-L183 HydrophobicContact CD2-CD1 4.34Å; F153-L183 HydrophobicContact CE2-CD1 3.95Å; F153-I273 HydrophobicContact CD1-CD1 4.1Å; F153-I273 HydrophobicContact CD1-CG2 3.95Å; F153-I273 HydrophobicContact CD2-CD1 3.76Å; F153-I273 HydrophobicContact CD2-CG1 4.38Å; F153-I273 HydrophobicContact CE1-CB 4.36Å; F153-I273 HydrophobicContact CE1-CD1 4.19Å; F153-I273 HydrophobicContact CE1-CG1 4.26Å; F153-I273 HydrophobicContact CE1-CG2 3.23Å; F153-I273 HydrophobicContact CE2-CD1 3.85Å; F153-I273 HydrophobicContact CE2-CG1 3.96Å; F153-I273 HydrophobicContact CE2-CG2 4.39Å; F153-I273 HydrophobicContact CG-CD1 3.89Å; F153-I273 HydrophobicContact CZ-CB 4.31Å; F153-I273 HydrophobicContact CZ-CD1 4.07Å; F153-I273 HydrophobicContact CZ-CG1 3.88Å; F153-I273 HydrophobicContact CZ-CG2 3.51Å
154	P	93.5	Very high	96.6	Very high	110 Å²	110	34.7 Å²	34.7	71%	0.714	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	138.9	-177.2	26.3	-35.1	0	0	0	111.1	G152 R156	G152-P154 VanDerWaalsContact C-CD 3.43Å; G152-P154 WeakPolarHBondContact O-CD 3.23Å; P154-R156 PolarHBondContact O-N 2.8Å
155	G	90.7	Very high	96.7	Very high	68 Å²	68	29.2 Å²	29.2	70%	0.701	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.3	-15.5	-177	0	0	0	0	0	114.7	F153	F153-G155 PolarHBondContact O-N 3.13Å
156	R	95.8	Very high	96.7	Very high	36 Å²	36	27.7 Å²	27.7	14%	0.136	16%	0.162	C	C	.	.			trans	-81.3	125.7	178.2	-165.9	179.3	-129.5	92.3	8.1	110.8	W148 F153 P154 E160 S271 W272 E274	W148-R156 HydrophobicContact CB-CB 3.95Å; W148-R156 HydrophobicContact CB-CG 3.97Å; W148-R156 WeakPolarHBondContact CB-O 3.46Å; W148-R156 HydrophobicContact CG-CG 4.24Å; W148-R156 PolarHBondContact N-O 3.06Å; F153-R156 HydrophobicContact CB-CB 3.85Å; F153-R156 VanDerWaalsContact O-CB 3.28Å; F153-R156 WeakPolarHBondContact O-CB 3.39Å; F153-R156 PolarHBondContact O-N 3.33Å; F153-R156 VanDerWaalsContact O-N 3.13Å; P154-R156 PolarHBondContact O-N 2.8Å; R156-E160 WeakPolarHBondContact CA-OE2 3.36Å; R156-E160 HydrophobicContact CG-CB 3.9Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 WeakPolarHBondContact CG-OE2 3.12Å; R156-S271 WeakPolarHBondContact CD-OG 3.45Å; R156-S271 PolarHBondContact NE-OG 3.08Å; R156-W272 PolarHBondContact NE-O 3.2Å; R156-W272 PolarHBondContact NH2-O 3.15Å; R156-E274 IonicContact CZ-OE2 3.38Å; R156-E274 IonicContact NH1-OE2 2.69Å; R156-E274 PolarHBondContact NH1-OE2 2.9Å; R156-E274 IonicContact NH2-OE1 3.94Å; R156-E274 PolarHBondContact NH2-OE1 2.81Å; R156-E274 IonicContact NH2-OE2 3.26Å; R156-E274 PolarHBondContact NH2-OE2 3.06Å
157	N	96.4	Very high	96.7	Very high	15 Å²	15	27.7 Å²	27.7	8%	0.08	16%	0.162	C	C	.	.	S	Bend	trans	-148.2	-150.5	-175.6	68.4	23.6	0	0	0	111.2	F143 Q144 V146 Q159 E160 S161	F143-N157 WeakPolarHBondContact O-CB 3.32Å; Q144-N157 PolarHBondContact NE2-ND2 3.2Å; V146-N157 WeakPolarHBondContact O-CA 3.22Å; V146-N157 VanDerWaalsContact O-CB 3.26Å; V146-N157 WeakPolarHBondContact O-CB 3.36Å; N157-Q159 PolarHBondContact O-N 3.2Å; N157-Q159 VanDerWaalsContact O-N 3.16Å; N157-Q159 WeakPolarHBondContact OD1-CB 3.19Å; N157-Q159 WeakPolarHBondContact OD1-CG 3.15Å; N157-Q159 PolarHBondContact OD1-N 2.87Å; N157-E160 PolarHBondContact N-OE2 3.1Å; N157-E160 PolarHBondContact O-N 3.2Å; N157-S161 PolarHBondContact O-OG 2.9Å
158	G	96.1	Very high	96.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-53.8	-27.4	174.1	0	0	0	0	0	114.5	F132 F143 E160 S161	F132-G158 WeakPolarHBondContact CB-O 3.3Å; F132-G158 WeakPolarHBondContact CD2-O 3.33Å; F132-G158 WeakPolarHBondContact CG-O 3.34Å; F143-G158 PolarHBondContact O-N 2.87Å; G158-E160 VanDerWaalsContact C-N 3.3Å; G158-E160 PolarHBondContact O-N 2.89Å; G158-S161 WeakPolarHBondContact O-CB 3.45Å; G158-S161 PolarHBondContact O-N 3.42Å
159	Q	95.7	Very high	96.7	Very high	99 Å²	99	28.9 Å²	28.9	46%	0.463	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-58.6	-39.8	179.7	-70.2	-179.2	12.6	0	0	112.7	V133 F143 N157 S161	V133-Q159 HydrophobicContact CG1-CB 4.24Å; V133-Q159 HydrophobicContact CG1-CG 4.48Å; V133-Q159 WeakPolarHBondContact CG1-O 3.23Å; F143-Q159 HydrophobicContact CB-CG 4.31Å; F143-Q159 HydrophobicContact CD2-CG 3.31Å; F143-Q159 HydrophobicContact CE2-CG 3.75Å; F143-Q159 HydrophobicContact CG-CG 3.95Å; N157-Q159 PolarHBondContact O-N 3.2Å; N157-Q159 VanDerWaalsContact O-N 3.16Å; N157-Q159 WeakPolarHBondContact OD1-CB 3.19Å; N157-Q159 WeakPolarHBondContact OD1-CG 3.15Å; N157-Q159 PolarHBondContact OD1-N 2.87Å; Q159-S161 VanDerWaalsContact C-N 3.31Å
160	E	95.2	Very high	96.7	Very high	70 Å²	70	26.7 Å²	26.7	33%	0.327	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-97.6	26.7	177.6	-54.1	73.8	-155.6	0	0	112.2	R156 N157 G158 S271	R156-E160 WeakPolarHBondContact CA-OE2 3.36Å; R156-E160 HydrophobicContact CG-CB 3.9Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 WeakPolarHBondContact CG-OE2 3.12Å; N157-E160 PolarHBondContact N-OE2 3.1Å; N157-E160 PolarHBondContact O-N 3.2Å; G158-E160 VanDerWaalsContact C-N 3.3Å; G158-E160 PolarHBondContact O-N 2.89Å; E160-S271 WeakPolarHBondContact O-CB 3.5Å; E160-S271 PolarHBondContact O-OG 2.94Å
161	S	97.3	Very high	96.7	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	151.2	-176.8	-57.6	0	0	0	0	112.9	F132 W148 N157 G158 Q159 N270	F132-S161 PolarHBondContact N-O 2.98Å; F132-S161 VanDerWaalsContact N-O 3.11Å; W148-S161 PolarHBondContact NE1-OG 3.27Å; N157-S161 PolarHBondContact O-OG 2.9Å; G158-S161 WeakPolarHBondContact O-CB 3.45Å; G158-S161 PolarHBondContact O-N 3.42Å; Q159-S161 VanDerWaalsContact C-N 3.31Å; S161-N270 VanDerWaalsContact CA-O 3.23Å; S161-N270 WeakPolarHBondContact CA-O 3.34Å
162	T	97.5	Very high	96.6	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	146	167.2	73.1	0	0	0	0	111.8	K130 Y131 W164 I269 N270 W272	K130-T162 CarbonylContact O-C 3.58Å; K130-T162 WeakPolarHBondContact O-CA 3.42Å; Y131-T162 HydrophobicContact CD1-CG2 3.44Å; Y131-T162 VanDerWaalsContact CD1-CG2 3.44Å; Y131-T162 HydrophobicContact CE1-CG2 3.58Å; Y131-T162 HydrophobicContact CG-CG2 3.95Å; T162-W164 PolarHBondContact OG1-NE1 2.78Å; T162-I269 WeakPolarHBondContact O-CA 3.39Å; T162-N270 PolarHBondContact N-O 3.04Å; T162-N270 PolarHBondContact O-N 3.04Å; T162-N270 VanDerWaalsContact O-N 3.09Å; T162-N270 PolarHBondContact OG1-OD1 2.99Å; T162-W272 HydrophobicContact CG2-CH2 4.16Å; T162-W272 HydrophobicContact CG2-CZ3 3.57Å
163	L	98.4	Very high	96.5	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	141.3	178	-168.6	64.8	0	0	0	110.3	L63 K130 F132 L135 F136 I165 V267 I269	L63-L163 HydrophobicContact CD1-CD1 4.31Å; L63-L163 HydrophobicContact CD1-CD2 4.16Å; L63-L163 HydrophobicContact CD2-CD2 4.37Å; K130-L163 HydrophobicContact CB-CB 4.2Å; K130-L163 WeakPolarHBondContact CB-O 3.46Å; K130-L163 PolarHBondContact N-O 3.39Å; K130-L163 VanDerWaalsContact N-O 3.12Å; K130-L163 PolarHBondContact O-N 3.12Å; F132-L163 HydrophobicContact CD1-CB 4.07Å; F132-L163 HydrophobicContact CE1-CB 3.63Å; F132-L163 HydrophobicContact CE1-CD1 4.14Å; F132-L163 HydrophobicContact CE1-CG 4.39Å; L135-L163 HydrophobicContact CD2-CB 4.27Å; L135-L163 HydrophobicContact CD2-CD2 3.56Å; F136-L163 HydrophobicContact CE2-CD2 4.47Å; F136-L163 HydrophobicContact CZ-CD2 4.17Å; L163-I165 HydrophobicContact CD2-CD1 3.86Å; L163-I165 HydrophobicContact CD2-CG1 4.26Å; L163-I165 HydrophobicContact CG-CD1 4.28Å; L163-I165 HydrophobicContact CG-CG1 4.12Å; L163-V267 HydrophobicContact CD1-CG1 3.81Å; L163-I269 HydrophobicContact CD1-CG1 3.84Å
164	W	98.6	Very high	96.5	Very high	19 Å²	19	25.7 Å²	25.7	7%	0.072	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	122.2	178.4	-53.3	76.3	0	0	0	109.9	Y126 A127 D128 Y129 T162 V267 S268 N270 W272	Y126-W164 HydrophobicContact CE1-CE3 4Å; Y126-W164 HydrophobicContact CE1-CZ3 4.23Å; Y126-W164 HydrophobicContact CE2-CB 4.25Å; Y126-W164 HydrophobicContact CE2-CE3 4.33Å; Y126-W164 AromaticContact CZ-CE3 3.61Å; A127-W164 WeakPolarHBondContact O-CA 3.5Å; D128-W164 HydrophobicContact CB-CE3 3.54Å; D128-W164 HydrophobicContact CB-CZ3 3.44Å; D128-W164 VanDerWaalsContact CB-CZ3 3.44Å; Y129-W164 AromaticContact CD1-CH2 3.62Å; Y129-W164 HydrophobicContact CD1-CH2 3.62Å; Y129-W164 AromaticContact CD1-CZ2 3.75Å; Y129-W164 HydrophobicContact CD1-CZ2 3.75Å; Y129-W164 AromaticContact CD2-CH2 3.48Å; Y129-W164 HydrophobicContact CD2-CH2 3.48Å; Y129-W164 VanDerWaalsContact CD2-CH2 3.48Å; Y129-W164 HydrophobicContact CD2-CZ2 4.36Å; Y129-W164 AromaticContact CD2-CZ3 3.7Å; Y129-W164 HydrophobicContact CD2-CZ3 3.7Å; Y129-W164 AromaticContact CE1-CH2 3.48Å; Y129-W164 HydrophobicContact CE1-CH2 3.48Å; Y129-W164 VanDerWaalsContact CE1-CH2 3.48Å; Y129-W164 AromaticContact CE1-CZ2 3.79Å; Y129-W164 HydrophobicContact CE1-CZ2 3.79Å; Y129-W164 AromaticContact CE2-CH2 3.32Å; Y129-W164 HydrophobicContact CE2-CH2 3.32Å; Y129-W164 HydrophobicContact CE2-CZ2 4.38Å; Y129-W164 AromaticContact CE2-CZ3 3.73Å; Y129-W164 HydrophobicContact CE2-CZ3 3.73Å; Y129-W164 AromaticContact CG-CH2 3.62Å; Y129-W164 HydrophobicContact CG-CH2 3.62Å; Y129-W164 HydrophobicContact CG-CZ2 4.04Å; Y129-W164 HydrophobicContact CG-CZ3 4.12Å; Y129-W164 AromaticContact CZ-CH2 3.33Å; T162-W164 PolarHBondContact OG1-NE1 2.78Å; W164-V267 VanDerWaalsContact O-CA 3.3Å; W164-V267 WeakPolarHBondContact O-CA 3.4Å; W164-S268 WeakPolarHBondContact CB-OG 3.26Å; W164-S268 PolarHBondContact N-O 2.88Å; W164-S268 PolarHBondContact O-N 3.29Å; W164-N270 PolarHBondContact NE1-OD1 3.19Å; W164-W272 HydrophobicContact CZ2-CH2 4.26Å
165	I	98.8	Very high	96.6	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.015	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	119.2	-179.8	-52.8	172.9	0	0	0	109	L63 L98 F101 Y126 A127 L163 T266 V267	L63-I165 HydrophobicContact CD1-CD1 4.13Å; L98-I165 HydrophobicContact CD1-CD1 3.95Å; L98-I165 HydrophobicContact CD2-CD1 3.56Å; L98-I165 HydrophobicContact CD2-CG2 4.3Å; L98-I165 HydrophobicContact CG-CD1 4.4Å; F101-I165 HydrophobicContact CE1-CG2 3.88Å; F101-I165 HydrophobicContact CZ-CG2 4.32Å; Y126-I165 WeakPolarHBondContact CD2-O 3.48Å; A127-I165 HydrophobicContact CB-CB 4.28Å; A127-I165 PolarHBondContact N-O 3.28Å; A127-I165 PolarHBondContact O-N 2.92Å; L163-I165 HydrophobicContact CD2-CD1 3.86Å; L163-I165 HydrophobicContact CD2-CG1 4.26Å; L163-I165 HydrophobicContact CG-CD1 4.28Å; L163-I165 HydrophobicContact CG-CG1 4.12Å; I165-T266 VanDerWaalsContact CA-O 3.3Å; I165-T266 WeakPolarHBondContact CA-O 3.35Å; I165-V267 HydrophobicContact CG1-CG2 4.3Å; I165-V267 HydrophobicContact CG2-CG2 4.42Å
166	G	98.3	Very high	96.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.3	-174.7	0	0	0	0	0	114.1	V265 T266	G166-V265 CarbonylContact O-C 3.56Å; G166-V265 WeakPolarHBondContact O-CA 3.47Å; G166-T266 PolarHBondContact N-O 3.21Å; G166-T266 PolarHBondContact O-N 3.32Å
167	S	98.4	Very high	96.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	168.8	164.3	65.9	0	0	0	0	111.6	N105 W124 A125 G169 A170 S261 P264	N105-S167 WeakPolarHBondContact OD1-CB 3.28Å; W124-S167 VanDerWaalsContact CA-OG 3.27Å; W124-S167 WeakPolarHBondContact CA-OG 3.46Å; W124-S167 WeakPolarHBondContact CB-OG 3.38Å; A125-S167 PolarHBondContact N-OG 2.79Å; A125-S167 PolarHBondContact O-N 3.43Å; A125-S167 PolarHBondContact O-OG 2.92Å; S167-G169 PolarHBondContact O-N 3.37Å; S167-A170 WeakPolarHBondContact O-CB 3.39Å; S167-A170 PolarHBondContact O-N 2.84Å; S167-S261 VanDerWaalsContact O-CB 3.27Å; S167-S261 WeakPolarHBondContact O-CB 3.44Å; S167-P264 WeakPolarHBondContact CA-O 3.33Å
168	L	97.6	Very high	95.9	Very high	81 Å²	81	17.1 Å²	17.1	42%	0.424	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	127.1	171.6	-178.6	65.3	0	0	0	112.4	K79 A170 I262 D263 P264	K79-L168 VanDerWaalsContact CE-O 3.27Å; K79-L168 WeakPolarHBondContact CE-O 2.99Å; L168-A170 VanDerWaalsContact C-N 3.32Å; L168-I262 VanDerWaalsContact CD1-O 3.26Å; L168-I262 WeakPolarHBondContact CD1-O 3.25Å; L168-D263 WeakPolarHBondContact CA-O 3.25Å; L168-D263 PolarHBondContact N-O 3.37Å; L168-P264 PolarHBondContact N-O 3.2Å
169	G	96.6	Very high	95.5	Very high	12 Å²	12	18.6 Å²	18.6	12%	0.124	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	-6.5	-179.5	0	0	0	0	0	115.2	S167 H171 S261	S167-G169 PolarHBondContact O-N 3.37Å; G169-H171 PolarHBondContact O-N 2.85Å; G169-H171 PolarHBondContact O-ND1 2.9Å; G169-S261 PolarHBondContact N-O 3.31Å
170	A	97.8	Very high	95.3	Very high	1 Å²	1	14 Å²	14	1%	0.008	7%	0.073	C	C	.	.			trans	-62.6	129.1	172.8	0	0	0	0	0	110.4	W124 Y126 S167 L168 S261	W124-A170 HydrophobicContact CB-CB 4.27Å; W124-A170 HydrophobicContact CD2-CB 4.15Å; W124-A170 HydrophobicContact CE3-CB 3.76Å; W124-A170 HydrophobicContact CG-CB 4.39Å; Y126-A170 HydrophobicContact CD2-CB 4.01Å; Y126-A170 HydrophobicContact CG-CB 3.92Å; S167-A170 WeakPolarHBondContact O-CB 3.39Å; S167-A170 PolarHBondContact O-N 2.84Å; L168-A170 VanDerWaalsContact C-N 3.32Å; A170-S261 WeakPolarHBondContact O-CB 3.01Å; A170-S261 PolarHBondContact O-N 3.25Å; A170-S261 PolarHBondContact O-OG 3.5Å
171	H	97.1	Very high	95.3	Very high	16 Å²	16	10.9 Å²	10.9	7%	0.074	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	157.6	-172.2	61.1	-88.5	0	0	0	113.7	R75 W124 G169 Y258 V259 E260	R75-H171 PolarHBondContact NH2-O 3.01Å; W124-H171 AromaticContact CE2-CE1 3.88Å; W124-H171 AromaticContact CE2-ND1 3.96Å; W124-H171 AromaticContact CZ2-CE1 3.8Å; W124-H171 AromaticContact NE1-CE1 3.64Å; W124-H171 AromaticContact NE1-ND1 3.82Å; G169-H171 PolarHBondContact O-N 2.85Å; G169-H171 PolarHBondContact O-ND1 2.9Å; H171-Y258 HydrophobicContact CB-CE2 3.93Å; H171-Y258 WeakPolarHBondContact CB-OH 3.43Å; H171-Y258 AromaticContact CD2-CE2 3.71Å; H171-Y258 AromaticContact CG-CE2 4Å; H171-V259 CarbonylContact C-O 3.54Å; H171-V259 WeakPolarHBondContact CA-O 3.35Å; H171-V259 WeakPolarHBondContact CB-O 3.37Å; H171-E260 HydrophobicContact CB-CB 4.13Å; H171-E260 HydrophobicContact CB-CG 4.35Å
172	T	95.6	Very high	95.3	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.006	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124.5	165.6	-49.7	0	0	0	0	108.2	H175 Y258 V259	T172-H175 WeakPolarHBondContact CG2-CE1 3.36Å; T172-Y258 WeakPolarHBondContact O-CD2 3.03Å; T172-V259 PolarHBondContact N-O 3.23Å; T172-V259 PolarHBondContact O-N 2.87Å
173	P	95.1	Very high	95.3	Very high	4 Å²	4	11.1 Å²	11.1	3%	0.026	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	159	174.4	-28.8	37	0	0	0	113.1	P85 Q86 F87 H175 F217	P85-P173 HydrophobicContact CB-CB 4.18Å; Q86-P173 WeakPolarHBondContact O-CG 3.4Å; F87-P173 HydrophobicContact CD1-CB 4.36Å; F87-P173 HydrophobicContact CD1-CG 4.3Å; F87-P173 HydrophobicContact CE1-CB 4.36Å; P173-H175 PolarHBondContact O-N 2.9Å; P173-H175 PolarHBondContact O-ND1 3.39Å; P173-F217 HydrophobicContact CB-CD1 4.09Å; P173-F217 HydrophobicContact CB-CE1 4.26Å
174	C	96.5	Very high	95.3	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.014	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	124.8	-178.4	-171.2	0	0	0	0	111.1	S218 V222 H257	C174-S218 WeakPolarHBondContact O-CB 3.47Å; C174-S218 PolarHBondContact O-N 3.19Å; C174-V222 HydrophobicContact CB-CB 4.44Å; C174-V222 HydrophobicContact CB-CG1 3.6Å; C174-V222 HydrophobicContact CB-CG2 3.96Å; C174-H257 VanDerWaalsContact CA-O 3.3Å; C174-H257 WeakPolarHBondContact CA-O 3.18Å
175	H	94.7	Very high	95.3	Very high	6 Å²	6	10.4 Å²	10.4	3%	0.028	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	162.4	178.6	58.3	-65	0	0	0	110.7	T172 P173 D177 V216 F217 W256 H257	T172-H175 WeakPolarHBondContact CG2-CE1 3.36Å; P173-H175 PolarHBondContact O-N 2.9Å; P173-H175 PolarHBondContact O-ND1 3.39Å; H175-D177 IonicContact CD2-OD1 2.88Å; H175-D177 PolarHBondContact CD2-OD1 2.95Å; H175-D177 IonicContact NE2-OD1 3.33Å; H175-V216 CarbonylContact C-O 3.54Å; H175-V216 WeakPolarHBondContact CA-O 3.25Å; H175-V216 WeakPolarHBondContact CB-O 3.49Å; H175-F217 HydrophobicContact CB-CD1 3.61Å; H175-F217 HydrophobicContact CB-CE1 3.72Å; H175-F217 HydrophobicContact CB-CG 4.07Å; H175-F217 HydrophobicContact CB-CZ 4.3Å; H175-F217 AromaticContact CG-CE1 3.95Å; H175-W256 CarbonylContact O-C 3.6Å; H175-W256 VanDerWaalsContact O-CA 3.25Å; H175-W256 WeakPolarHBondContact O-CA 3.09Å; H175-H257 AromaticContact CD2-CE1 3.82Å; H175-H257 AromaticContact CD2-NE2 3.75Å; H175-H257 AromaticContact CE1-CD2 3.55Å; H175-H257 AromaticContact CE1-NE2 3.34Å; H175-H257 PolarHBondContact CE1-NE2 2.76Å; H175-H257 VanDerWaalsContact CE1-NE2 3.34Å; H175-H257 PolarHBondContact N-O 2.76Å; H175-H257 PolarHBondContact ND1-O 3.24Å; H175-H257 AromaticContact NE2-CD2 3.77Å; H175-H257 AromaticContact NE2-CE1 3.6Å; H175-H257 AromaticContact NE2-NE2 3.06Å; H175-H257 PolarHBondContact NE2-NE2 3.25Å; H175-H257 PolarHBondContact O-N 2.96Å; H175-H257 PolarHBondContact O-ND1 3.3Å
176	L	93.4	Very high	95.4	Very high	16 Å²	16	10.2 Å²	10.2	8%	0.084	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	148.8	159.8	64.3	77.1	0	0	0	109.3	S215 V216 H254 W256	L176-S215 CarbonylContact O-C 3.36Å; L176-S215 WeakPolarHBondContact O-CA 3.43Å; L176-S215 WeakPolarHBondContact O-CB 3.28Å; L176-V216 HydrophobicContact CD1-CB 3.91Å; L176-V216 HydrophobicContact CD1-CG2 3.97Å; L176-V216 HydrophobicContact CG-CB 4.01Å; L176-V216 PolarHBondContact N-O 3.24Å; L176-V216 PolarHBondContact O-N 2.9Å; L176-H254 HydrophobicContact CD2-CB 4.47Å; L176-W256 HydrophobicContact CB-CD2 4.03Å; L176-W256 HydrophobicContact CB-CE3 4.35Å; L176-W256 HydrophobicContact CB-CG 4.16Å; L176-W256 HydrophobicContact CD2-CD2 4.08Å; L176-W256 VanDerWaalsContact CD2-CE2 3.45Å; L176-W256 HydrophobicContact CD2-CG 4.48Å; L176-W256 HydrophobicContact CD2-CH2 4.3Å; L176-W256 HydrophobicContact CD2-CZ2 3.57Å; L176-W256 HydrophobicContact CG-CD2 4.26Å; L176-W256 HydrophobicContact CG-CH2 4.4Å; L176-W256 HydrophobicContact CG-CZ2 4.13Å
177	D	90.6	Very high	95.4	Very high	11 Å²	11	10.7 Å²	10.7	6%	0.059	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	127.8	170.4	-67.3	-16.2	0	0	0	109.2	H175 Y179 S214 H254 H257 W272	H175-D177 IonicContact CD2-OD1 2.88Å; H175-D177 PolarHBondContact CD2-OD1 2.95Å; H175-D177 IonicContact NE2-OD1 3.33Å; D177-Y179 VanDerWaalsContact C-N 3.3Å; D177-Y179 PolarHBondContact O-N 3.42Å; D177-S214 CarbonylContact C-O 2.88Å; D177-S214 WeakPolarHBondContact CA-O 3.46Å; D177-H254 PolarHBondContact O-CD2 2.85Å; D177-H257 IonicContact OD1-CE1 2.66Å; D177-H257 IonicContact OD2-CE1 3.39Å; D177-W272 PolarHBondContact OD2-NE1 2.92Å
178	S	85.4	Confident	95.4	Very high	16 Å²	16	13.2 Å²	13.2	11%	0.112	7%	0.071	C	C	.	.	S	Bend	trans	-71.6	-24.2	-179.7	-62.9	0	0	0	0	113	S214 R253	S178-S214 PolarHBondContact N-O 3.05Å; S178-R253 VanDerWaalsContact O-CZ 3.28Å; S178-R253 PolarHBondContact O-NH1 2.86Å; S178-R253 VanDerWaalsContact O-NH1 3.09Å; S178-R253 PolarHBondContact O-NH2 2.85Å
179	Y	87.1	Confident	95.4	Very high	30 Å²	30	9.9 Å²	9.9	12%	0.118	6%	0.057	C	C	.	.	S	Bend	trans	-127.2	148	-175.1	-54	-52.1	0	0	0	112.2	D177 E213 R253 D278 A281 R282 E285	D177-Y179 VanDerWaalsContact C-N 3.3Å; D177-Y179 PolarHBondContact O-N 3.42Å; Y179-E213 VanDerWaalsContact CD2-O 3.25Å; Y179-E213 WeakPolarHBondContact CD2-O 3.33Å; Y179-E213 WeakPolarHBondContact CE2-O 3.34Å; Y179-R253 VanDerWaalsContact CA-NH1 3.34Å; Y179-D278 WeakPolarHBondContact CA-OD1 3.16Å; Y179-D278 HydrophobicContact CD1-CB 4.24Å; Y179-A281 HydrophobicContact CD1-CB 4.19Å; Y179-A281 HydrophobicContact CE1-CB 3.81Å; Y179-R282 HydrophobicContact CD1-CG 4.05Å; Y179-R282 HydrophobicContact CE1-CB 4.35Å; Y179-R282 HydrophobicContact CE1-CG 3.49Å; Y179-R282 VanDerWaalsContact CE1-CG 3.49Å; Y179-R282 HydrophobicContact CE2-CG 4.11Å; Y179-E285 VanDerWaalsContact OH-CB 3.24Å; Y179-E285 WeakPolarHBondContact OH-CB 2.84Å
180	G	91.4	Very high	95.5	Very high	2 Å²	2	14.4 Å²	14.4	2%	0.021	7%	0.07	C	C	.	.	S	Bend	trans	63.4	-164	173.3	0	0	0	0	0	114.6	R253 I273 D278	G180-R253 WeakPolarHBondContact O-CA 3.42Å; G180-R253 WeakPolarHBondContact O-CB 3.15Å; G180-I273 CarbonylContact C-O 3.48Å; G180-I273 WeakPolarHBondContact CA-O 3.37Å; G180-D278 WeakPolarHBondContact CA-OD2 3.5Å; G180-D278 VanDerWaalsContact N-CG 3.25Å; G180-D278 PolarHBondContact N-OD1 3.31Å; G180-D278 PolarHBondContact N-OD2 2.9Å
181	C	94.9	Very high	95.6	Very high	6 Å²	6	14.4 Å²	14.4	4%	0.041	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	164.8	160.3	61	0	0	0	0	109	F250 V251 W272 I273 L275	C181-F250 HydrophobicContact CB-CE2 3.68Å; C181-F250 HydrophobicContact CB-CZ 4.32Å; C181-V251 WeakPolarHBondContact CB-O 3.2Å; C181-W272 WeakPolarHBondContact O-CA 3.47Å; C181-I273 PolarHBondContact N-O 3.36Å; C181-I273 PolarHBondContact O-N 2.68Å; C181-L275 HydrophobicContact CB-CD1 4.35Å
182	N	97	Very high	95.7	Very high	7 Å²	7	18.3 Å²	18.3	4%	0.037	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.3	-171.6	-155.7	-14.1	0	0	0	111.3	F250 V251 N270 S271 W272	N182-F250 WeakPolarHBondContact O-CA 3.2Å; N182-V251 HydrophobicContact CB-CB 4.11Å; N182-V251 PolarHBondContact N-O 2.99Å; N182-V251 PolarHBondContact O-N 2.81Å; N182-N270 PolarHBondContact ND2-ND2 3.11Å; N182-N270 WeakPolarHBondContact OD1-CB 3.47Å; N182-N270 PolarHBondContact OD1-ND2 3.13Å; N182-S271 PolarHBondContact OD1-O 2.97Å; N182-W272 PolarHBondContact ND2-NE1 2.64Å
183	L	98.5	Very high	95.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.6	168	-66.3	176.1	0	0	0	108.9	I37 W148 F151 F153 V248 L249 F250 N270 S271 I273	I37-L183 HydrophobicContact CD1-CD1 3.95Å; I37-L183 HydrophobicContact CD1-CD2 3.84Å; I37-L183 HydrophobicContact CD1-CG 4.46Å; I37-L183 HydrophobicContact CG1-CD2 4.29Å; W148-L183 HydrophobicContact CE3-CB 4.15Å; W148-L183 HydrophobicContact CE3-CD1 3.94Å; W148-L183 HydrophobicContact CH2-CB 4.08Å; W148-L183 WeakPolarHBondContact CH2-O 3.49Å; W148-L183 HydrophobicContact CZ3-CB 3.59Å; W148-L183 HydrophobicContact CZ3-CD1 4.14Å; F151-L183 HydrophobicContact CB-CD1 4.01Å; F151-L183 HydrophobicContact CD1-CD1 4.43Å; F151-L183 HydrophobicContact CG-CD1 4.13Å; F153-L183 HydrophobicContact CD2-CD1 4.34Å; F153-L183 HydrophobicContact CE2-CD1 3.95Å; L183-V248 HydrophobicContact CB-CG1 4.28Å; L183-V248 HydrophobicContact CD2-CG1 4.45Å; L183-L249 WeakPolarHBondContact CA-O 3.28Å; L183-F250 HydrophobicContact CD2-CB 4.06Å; L183-F250 HydrophobicContact CD2-CD2 3.9Å; L183-F250 HydrophobicContact CD2-CG 4.45Å; L183-N270 CarbonylContact O-C 3.51Å; L183-N270 WeakPolarHBondContact O-CA 3.31Å; L183-N270 WeakPolarHBondContact O-CB 3.24Å; L183-S271 PolarHBondContact N-O 3.46Å; L183-S271 PolarHBondContact O-N 2.98Å; L183-I273 HydrophobicContact CD1-CD1 4.23Å; L183-I273 HydrophobicContact CD1-CG1 4.1Å; L183-I273 HydrophobicContact CG-CG1 4.29Å
184	V	98.8	Very high	96	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.024	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	107.6	-174.4	-171	0	0	0	0	110.4	W193 L243 V248 L249 N270	V184-W193 HydrophobicContact CB-CZ2 4.32Å; V184-W193 HydrophobicContact CG1-CH2 4.38Å; V184-W193 HydrophobicContact CG1-CZ2 3.89Å; V184-W193 HydrophobicContact CG2-CH2 3.9Å; V184-W193 HydrophobicContact CG2-CZ2 4.19Å; V184-L243 HydrophobicContact CG1-CD2 4.38Å; V184-V248 CarbonylContact O-C 3.52Å; V184-V248 VanDerWaalsContact O-CA 3.27Å; V184-V248 WeakPolarHBondContact O-CA 3.42Å; V184-L249 HydrophobicContact CB-CB 4.35Å; V184-L249 PolarHBondContact N-O 2.99Å; V184-L249 PolarHBondContact O-N 2.86Å; V184-N270 HydrophobicContact CB-CB 4.27Å; V184-N270 HydrophobicContact CG1-CB 4.26Å; V184-N270 HydrophobicContact CG2-CB 3.89Å
185	F	98.8	Very high	96.1	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	118.3	173.7	173.9	-150.1	0	0	0	110.9	V50 W53 A55 R56 W148 V187 V248 S268 I269	V50-F185 HydrophobicContact CB-CE2 4.34Å; V50-F185 HydrophobicContact CB-CZ 4.38Å; V50-F185 HydrophobicContact CG2-CD2 3.91Å; V50-F185 HydrophobicContact CG2-CE2 3.49Å; V50-F185 VanDerWaalsContact CG2-CE2 3.49Å; V50-F185 HydrophobicContact CG2-CZ 3.91Å; W53-F185 HydrophobicContact CE3-CD1 4.03Å; W53-F185 HydrophobicContact CE3-CE1 4.1Å; W53-F185 HydrophobicContact CZ3-CD1 4.18Å; A55-F185 HydrophobicContact CB-CE1 4.09Å; R56-F185 HydrophobicContact CB-CZ 4.27Å; W148-F185 HydrophobicContact CH2-CB 4Å; F185-V187 HydrophobicContact CD1-CG2 3.76Å; F185-V187 HydrophobicContact CE1-CG2 3.62Å; F185-V187 HydrophobicContact CE2-CG2 4.38Å; F185-V187 HydrophobicContact CG-CG2 4.24Å; F185-V187 HydrophobicContact CZ-CG2 3.96Å; F185-V248 HydrophobicContact CB-CG2 4.05Å; F185-V248 HydrophobicContact CD2-CG2 4.1Å; F185-V248 HydrophobicContact CG-CG2 4.34Å; F185-S268 CarbonylContact O-C 3.56Å; F185-S268 VanDerWaalsContact O-CA 3.27Å; F185-S268 WeakPolarHBondContact O-CA 3.36Å; F185-S268 WeakPolarHBondContact O-CB 3.35Å; F185-I269 WeakPolarHBondContact CA-O 3.47Å; F185-I269 HydrophobicContact CD1-CD1 4.36Å; F185-I269 PolarHBondContact N-O 3Å; F185-I269 PolarHBondContact O-N 3.12Å
186	Q	98.9	Very high	96.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	117.3	172.1	-169.8	68.3	32.2	0	0	110.4	Q188 G189 L243 S244 P245 G246 Q247 V267	Q186-Q188 PolarHBondContact NE2-O 2.92Å; Q186-G189 WeakPolarHBondContact CG-O 3.23Å; Q186-G189 PolarHBondContact NE2-O 2.88Å; Q186-L243 HydrophobicContact CB-CD2 3.78Å; Q186-L243 HydrophobicContact CB-CG 3.72Å; Q186-L243 HydrophobicContact CG-CG 4.42Å; Q186-S244 WeakPolarHBondContact CB-O 3.49Å; Q186-P245 CarbonylContact O-C 3.52Å; Q186-P245 WeakPolarHBondContact O-CA 3.24Å; Q186-G246 PolarHBondContact O-N 3.47Å; Q186-Q247 PolarHBondContact N-O 2.99Å; Q186-V267 PolarHBondContact NE2-O 2.91Å
187	V	98.7	Very high	96.5	Very high	9 Å²	9	18.8 Å²	18.8	6%	0.055	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-54.4	-174.1	175.4	0	0	0	0	110.9	A55 W58 F185 V267 I269	A55-V187 WeakPolarHBondContact O-CG1 3.39Å; W58-V187 HydrophobicContact CB-CG1 3.79Å; W58-V187 VanDerWaalsContact O-CG1 3.23Å; W58-V187 WeakPolarHBondContact O-CG1 3.49Å; F185-V187 HydrophobicContact CD1-CG2 3.76Å; F185-V187 HydrophobicContact CE1-CG2 3.62Å; F185-V187 HydrophobicContact CE2-CG2 4.38Å; F185-V187 HydrophobicContact CG-CG2 4.24Å; F185-V187 HydrophobicContact CZ-CG2 3.96Å; V187-V267 HydrophobicContact CB-CB 4.17Å; V187-V267 HydrophobicContact CB-CG1 4.05Å; V187-V267 WeakPolarHBondContact CB-O 3.43Å; V187-V267 HydrophobicContact CG1-CB 4.46Å; V187-V267 HydrophobicContact CG1-CG1 4.27Å; V187-V267 PolarHBondContact N-O 2.78Å; V187-I269 HydrophobicContact CG2-CD1 3.74Å; V187-I269 HydrophobicContact CG2-CG1 3.94Å
188	Q	98.8	Very high	96.7	Very high	53 Å²	53	20 Å²	20	25%	0.248	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141.8	-177.6	-175.6	-173.1	7.2	0	0	110.2	N59 Q186 T266 V267	N59-Q188 HydrophobicContact CB-CG 4.39Å; Q186-Q188 PolarHBondContact NE2-O 2.92Å; Q188-T266 CarbonylContact O-C 3.47Å; Q188-T266 VanDerWaalsContact O-CA 3.24Å; Q188-T266 WeakPolarHBondContact O-CA 3.33Å; Q188-V267 HydrophobicContact CB-CB 3.82Å; Q188-V267 HydrophobicContact CB-CG2 3.93Å; Q188-V267 PolarHBondContact N-O 3.28Å; Q188-V267 PolarHBondContact O-N 2.78Å
189	G	98.7	Very high	97.2	Very high	12 Å²	12	26 Å²	26	12%	0.124	12%	0.121	C	C	.	.	S	Bend	trans	62.5	180	-179.7	0	0	0	0	0	112.6	Q186 P245	Q186-G189 WeakPolarHBondContact CG-O 3.23Å; Q186-G189 PolarHBondContact NE2-O 2.88Å; G189-P245 WeakPolarHBondContact O-CD 3.17Å; G189-P245 WeakPolarHBondContact O-CG 3.35Å
190	R	98.8	Very high	97.7	Very high	106 Å²	106	25 Å²	25	40%	0.4	12%	0.118	S	C	.	.			trans	-112.1	143.2	-178.1	-62.9	169.8	-63.5	166.5	6.1	111.7	T242 L243 I262 D263 T266	R190-T242 HydrophobicContact CB-CG2 3.88Å; R190-T242 HydrophobicContact CG-CG2 4.31Å; R190-L243 VanDerWaalsContact CA-O 3.32Å; R190-L243 WeakPolarHBondContact CA-O 3.39Å; R190-I262 HydrophobicContact CB-CD1 3.93Å; R190-I262 HydrophobicContact CB-CG1 3.77Å; R190-I262 VanDerWaalsContact O-CG1 3.26Å; R190-I262 WeakPolarHBondContact O-CG1 3.36Å; R190-I262 PolarHBondContact O-N 3.13Å; R190-I262 VanDerWaalsContact O-N 3.07Å; R190-D263 VanDerWaalsContact CB-OD2 3.29Å; R190-D263 WeakPolarHBondContact CB-OD2 3.38Å; R190-D263 VanDerWaalsContact CG-OD2 3.29Å; R190-D263 WeakPolarHBondContact CG-OD2 3.23Å; R190-D263 IonicContact CZ-OD1 3.46Å; R190-D263 IonicContact CZ-OD2 3.81Å; R190-D263 PolarHBondContact N-OD2 3.47Å; R190-D263 IonicContact NE-OD1 3.32Å; R190-D263 PolarHBondContact NE-OD1 2.79Å; R190-D263 IonicContact NE-OD2 2.91Å; R190-D263 PolarHBondContact NE-OD2 3.29Å; R190-D263 IonicContact NH2-OD1 2.74Å; R190-D263 PolarHBondContact NH2-OD1 3.26Å; R190-D263 IonicContact NH2-OD2 3.82Å; R190-T266 WeakPolarHBondContact O-CG2 3.31Å
191	K	98.8	Very high	97.8	Very high	2 Å²	2	27 Å²	27	1%	0.009	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.6	170.1	-75.4	-176.1	173.6	-178.2	0	110.4	Y126 T242 L243 V259 E260 T266 S268	Y126-K191 PolarHBondContact OH-NZ 3.41Å; K191-T242 CarbonylContact O-C 3.52Å; K191-T242 WeakPolarHBondContact O-CA 3.44Å; K191-L243 PolarHBondContact N-O 3.06Å; K191-L243 VanDerWaalsContact N-O 3.16Å; K191-L243 PolarHBondContact O-N 2.79Å; K191-V259 HydrophobicContact CB-CG2 4.03Å; K191-V259 HydrophobicContact CD-CG2 3.81Å; K191-V259 HydrophobicContact CG-CG2 4.33Å; K191-E260 CarbonylContact C-O 3.57Å; K191-E260 WeakPolarHBondContact CA-O 2.88Å; K191-T266 VanDerWaalsContact CE-OG1 3.23Å; K191-T266 WeakPolarHBondContact CE-OG1 3.39Å; K191-T266 HydrophobicContact CG-CG2 4.24Å; K191-S268 PolarHBondContact NZ-OG 2.85Å
192	R	98.6	Very high	97.7	Very high	97 Å²	97	31.1 Å²	31.1	37%	0.366	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	131.3	171.9	-177.2	178.4	-63.6	142.9	0.9	109.4	H194 V259 E260 I262	R192-H194 WeakPolarHBondContact CD-NE2 3.27Å; R192-V259 CarbonylContact O-C 3.54Å; R192-V259 WeakPolarHBondContact O-CA 3.13Å; R192-E260 PolarHBondContact N-O 3Å; R192-E260 IonicContact NH1-OE2 3.86Å; R192-E260 PolarHBondContact O-N 3.11Å; R192-I262 HydrophobicContact CB-CG2 3.73Å
193	W	98.6	Very high	97.7	Very high	11 Å²	11	33.1 Å²	33.1	4%	0.042	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.6	177.2	-67.3	74	0	0	0	109.8	V184 L195 M240 V241 L249 V251 H257 Y258 V259	V184-W193 HydrophobicContact CB-CZ2 4.32Å; V184-W193 HydrophobicContact CG1-CH2 4.38Å; V184-W193 HydrophobicContact CG1-CZ2 3.89Å; V184-W193 HydrophobicContact CG2-CH2 3.9Å; V184-W193 HydrophobicContact CG2-CZ2 4.19Å; W193-L195 HydrophobicContact CB-CD1 4.11Å; W193-L195 HydrophobicContact CB-CG 4.47Å; W193-M240 WeakPolarHBondContact O-CA 3.44Å; W193-V241 HydrophobicContact CB-CG1 3.72Å; W193-V241 HydrophobicContact CG-CG1 4.29Å; W193-V241 PolarHBondContact N-O 3.24Å; W193-V241 PolarHBondContact O-N 3.15Å; W193-V241 VanDerWaalsContact O-N 3.16Å; W193-L249 HydrophobicContact CB-CD2 4.41Å; W193-L249 HydrophobicContact CD2-CD2 3.4Å; W193-L249 HydrophobicContact CE3-CD2 3.63Å; W193-L249 HydrophobicContact CG-CD2 3.74Å; W193-L249 HydrophobicContact CH2-CD2 4.39Å; W193-L249 HydrophobicContact CZ2-CD2 4.2Å; W193-L249 HydrophobicContact CZ3-CD2 4.11Å; W193-V251 HydrophobicContact CZ3-CG2 4.11Å; W193-H257 HydrophobicContact CE3-CB 4.16Å; W193-H257 HydrophobicContact CZ3-CB 4.23Å; W193-H257 AromaticContact CZ3-CD2 3.58Å; W193-Y258 CarbonylContact C-O 3.59Å; W193-Y258 WeakPolarHBondContact CA-O 3.44Å; W193-V259 HydrophobicContact CD2-CB 4.01Å; W193-V259 HydrophobicContact CD2-CG2 3.98Å; W193-V259 HydrophobicContact CE3-CB 4.13Å; W193-V259 HydrophobicContact CG-CG2 4.43Å; W193-V259 HydrophobicContact CH2-CB 4.2Å; W193-V259 HydrophobicContact CH2-CG1 4.45Å; W193-V259 HydrophobicContact CH2-CG2 4.24Å; W193-V259 HydrophobicContact CZ2-CB 4.09Å; W193-V259 HydrophobicContact CZ2-CG2 3.65Å; W193-V259 HydrophobicContact CZ3-CB 4.24Å
194	H	98.4	Very high	97.6	Very high	11 Å²	11	33.1 Å²	33.1	5%	0.051	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.7	167.2	-63.2	-118.2	0	0	0	106.7	R192 F196 H239 M240 H257 Y258	R192-H194 WeakPolarHBondContact CD-NE2 3.27Å; H194-F196 HydrophobicContact CB-CE2 4.19Å; H194-H239 WeakPolarHBondContact CA-O 3.07Å; H194-M240 PolarHBondContact CE1-SD 2.79Å; H194-M240 PolarHBondContact ND1-SD 3.23Å; H194-M240 VanDerWaalsContact ND1-SD 3.43Å; H194-H257 CarbonylContact O-C 3.56Å; H194-H257 VanDerWaalsContact O-CA 3.23Å; H194-H257 WeakPolarHBondContact O-CA 3.41Å; H194-Y258 HydrophobicContact CB-CD1 4.35Å; H194-Y258 AromaticContact CD2-CD1 3.63Å; H194-Y258 PolarHBondContact N-O 3.22Å; H194-Y258 PolarHBondContact O-N 3.26Å
195	L	98.6	Very high	97.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.2	-173.7	-72.6	142.8	0	0	0	108.8	P43 W193 H239 V241 V251 W255 W256 H257 V395	P43-L195 HydrophobicContact CB-CD1 4.03Å; P43-L195 HydrophobicContact CB-CD2 4.36Å; P43-L195 HydrophobicContact CG-CB 4.35Å; P43-L195 HydrophobicContact CG-CD1 4.18Å; P43-L195 HydrophobicContact CG-CD2 3.96Å; P43-L195 HydrophobicContact CG-CG 4.4Å; W193-L195 HydrophobicContact CB-CD1 4.11Å; W193-L195 HydrophobicContact CB-CG 4.47Å; L195-H239 HydrophobicContact CB-CB 3.95Å; L195-H239 PolarHBondContact N-O 3Å; L195-H239 WeakPolarHBondContact O-CB 3.37Å; L195-H239 PolarHBondContact O-N 3.11Å; L195-V241 HydrophobicContact CD1-CG1 4.04Å; L195-V251 HydrophobicContact CD2-CG1 4.05Å; L195-V251 HydrophobicContact CD2-CG2 4.31Å; L195-W255 HydrophobicContact CB-CE3 3.99Å; L195-W255 HydrophobicContact CB-CZ3 4.15Å; L195-W255 HydrophobicContact CD2-CE3 4.46Å; L195-W256 CarbonylContact C-O 3.05Å; L195-W256 VanDerWaalsContact CA-O 3.24Å; L195-W256 WeakPolarHBondContact CA-O 3.45Å; L195-H257 HydrophobicContact CD2-CB 3.78Å; L195-H257 HydrophobicContact CG-CB 4.4Å; L195-V395 HydrophobicContact CD1-CB 4.48Å; L195-V395 HydrophobicContact CD1-CG1 3.99Å; L195-V395 HydrophobicContact CD1-CG2 4.27Å
196	F	98.3	Very high	96.8	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	137.6	175.1	-48.9	-100.8	0	0	0	109.5	H194 D200 L204 V222 F233 A236 R238 W255 W256	H194-F196 HydrophobicContact CB-CE2 4.19Å; F196-D200 HydrophobicContact CB-CB 4.32Å; F196-L204 HydrophobicContact CB-CD1 3.82Å; F196-L204 HydrophobicContact CD1-CD2 4.41Å; F196-L204 HydrophobicContact CD2-CD2 4.28Å; F196-L204 HydrophobicContact CG-CD1 4.21Å; F196-L204 HydrophobicContact CG-CD2 4.22Å; F196-V222 HydrophobicContact CE2-CB 4.2Å; F196-V222 HydrophobicContact CE2-CG1 4.06Å; F196-V222 HydrophobicContact CE2-CG2 4.36Å; F196-V222 HydrophobicContact CZ-CB 4.07Å; F196-V222 HydrophobicContact CZ-CG1 4.15Å; F196-F233 AromaticContact CE1-CE2 3.96Å; F196-F233 HydrophobicContact CE1-CE2 3.96Å; F196-F233 HydrophobicContact CE1-CZ 4.08Å; F196-F233 HydrophobicContact CZ-CE2 4.05Å; F196-F233 AromaticContact CZ-CZ 3.95Å; F196-F233 HydrophobicContact CZ-CZ 3.95Å; F196-A236 HydrophobicContact CD1-CB 3.91Å; F196-A236 HydrophobicContact CE1-CB 4.16Å; F196-R238 HydrophobicContact CD1-CB 4.24Å; F196-R238 HydrophobicContact CE1-CB 3.7Å; F196-R238 HydrophobicContact CE1-CG 4Å; F196-R238 HydrophobicContact CZ-CB 4.31Å; F196-R238 HydrophobicContact CZ-CG 4.1Å; F196-W255 VanDerWaalsContact C-CE3 3.46Å; F196-W256 HydrophobicContact CB-CB 4.01Å; F196-W256 HydrophobicContact CD2-CB 4.27Å; F196-W256 PolarHBondContact N-O 2.81Å; F196-W256 PolarHBondContact O-N 2.77Å
197	P	97.8	Very high	96	Very high	17 Å²	17	37.8 Å²	37.8	11%	0.11	19%	0.188	C	C	.	.			trans	-65.7	153.6	-178.8	31.3	-38.9	0	0	0	111.3	E199 D200 Q237 W255	P197-E199 WeakPolarHBondContact CB-OE2 3.4Å; P197-E199 PolarHBondContact O-N 3.38Å; P197-E199 VanDerWaalsContact O-N 3.1Å; P197-D200 WeakPolarHBondContact CD-OD2 3.33Å; P197-D200 WeakPolarHBondContact O-CB 3.47Å; P197-D200 PolarHBondContact O-N 3.12Å; P197-Q237 VanDerWaalsContact CD-O 3.26Å; P197-Q237 WeakPolarHBondContact CD-O 3.31Å; P197-Q237 HydrophobicContact CG-CB 4.46Å; P197-W255 HydrophobicContact CB-CH2 3.76Å; P197-W255 HydrophobicContact CB-CZ2 3.78Å; P197-W255 HydrophobicContact CB-CZ3 4.2Å
198	P	95.9	Very high	94.3	Very high	36 Å²	36	47.4 Å²	47.4	23%	0.234	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-54.4	-30.3	-179.8	-26	33.9	0	0	0	114	D200 T201 H254	P198-D200 PolarHBondContact O-N 2.76Å; P198-T201 VanDerWaalsContact O-CB 3.28Å; P198-T201 WeakPolarHBondContact O-CB 3.08Å; P198-T201 PolarHBondContact O-N 2.94Å; P198-T201 PolarHBondContact O-OG1 3.43Å; P198-H254 HydrophobicContact CB-CB 4.19Å; P198-H254 HydrophobicContact CG-CB 4.01Å
199	E	96.4	Very high	92.4	Very high	142 Å²	142	48.8 Å²	48.8	66%	0.664	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-61.2	-22.2	177.4	-64.3	74.1	-163.4	0	0	113	P197 T201 P202	P197-E199 WeakPolarHBondContact CB-OE2 3.4Å; P197-E199 PolarHBondContact O-N 3.38Å; P197-E199 VanDerWaalsContact O-N 3.1Å; E199-T201 VanDerWaalsContact C-N 3.28Å; E199-T201 PolarHBondContact O-N 2.84Å; E199-P202 VanDerWaalsContact O-CD 3.24Å; E199-P202 WeakPolarHBondContact O-CD 3.27Å
200	D	96.8	Very high	90.4	Very high	8 Å²	8	48.5 Å²	48.5	4%	0.043	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-82.6	-0.9	176.9	-74.9	-19.1	0	0	0	113.7	F196 P197 P198 P202 F203 L204 A236 Q237	F196-D200 HydrophobicContact CB-CB 4.32Å; P197-D200 WeakPolarHBondContact CD-OD2 3.33Å; P197-D200 WeakPolarHBondContact O-CB 3.47Å; P197-D200 PolarHBondContact O-N 3.12Å; P198-D200 PolarHBondContact O-N 2.76Å; D200-P202 VanDerWaalsContact C-N 3.27Å; D200-P202 VanDerWaalsContact O-N 3.13Å; D200-F203 HydrophobicContact CB-CD2 4.18Å; D200-F203 CarbonylContact O-C 3.46Å; D200-F203 WeakPolarHBondContact O-CA 3.45Å; D200-F203 WeakPolarHBondContact O-CB 3.36Å; D200-F203 PolarHBondContact O-N 2.81Å; D200-F203 WeakPolarHBondContact OD1-CD2 3.33Å; D200-L204 HydrophobicContact CB-CD1 3.92Å; D200-L204 HydrophobicContact CB-CG 4.39Å; D200-L204 WeakPolarHBondContact O-CG 3.45Å; D200-L204 PolarHBondContact O-N 2.61Å; D200-L204 VanDerWaalsContact O-N 3.15Å; D200-A236 HydrophobicContact CB-CB 4.29Å; D200-A236 WeakPolarHBondContact OD2-CA 3.46Å; D200-Q237 PolarHBondContact OD2-N 3.27Å
201	T	94.4	Very high	88.2	Confident	46 Å²	46	44.2 Å²	44.2	28%	0.282	21%	0.212	S	C	.	.	H	α-helix	trans	-45.3	-44.2	176.7	-65.6	0	0	0	0	113.6	P198 E199 F203 L204 P206 W256	P198-T201 VanDerWaalsContact O-CB 3.28Å; P198-T201 WeakPolarHBondContact O-CB 3.08Å; P198-T201 PolarHBondContact O-N 2.94Å; P198-T201 PolarHBondContact O-OG1 3.43Å; E199-T201 VanDerWaalsContact C-N 3.28Å; E199-T201 PolarHBondContact O-N 2.84Å; T201-F203 PolarHBondContact O-N 3.22Å; T201-L204 PolarHBondContact O-N 2.66Å; T201-P206 HydrophobicContact CG2-CG 4.34Å; T201-W256 HydrophobicContact CG2-CZ2 4.03Å; T201-W256 PolarHBondContact OG1-NE1 2.99Å
202	P	93	Very high	85.8	Confident	91 Å²	91	45.2 Å²	45.2	59%	0.591	22%	0.216	S	C	*	.	H	α-helix	trans	-63.4	-23	177	-22.1	35.5	0	0	0	114.3	E199 D200	E199-P202 VanDerWaalsContact O-CD 3.24Å; E199-P202 WeakPolarHBondContact O-CD 3.27Å; D200-P202 VanDerWaalsContact C-N 3.27Å; D200-P202 VanDerWaalsContact O-N 3.13Å
203	F	96.4	Very high	83.6	Confident	50 Å²	50	45.4 Å²	45.4	22%	0.219	22%	0.222	C	C	.	.	H	α-helix	trans	-93.7	-10.7	-179.8	-48.3	-38.1	0	0	0	112.9	D200 T201 Y205 I220 Q232 F233 K235 A236	D200-F203 HydrophobicContact CB-CD2 4.18Å; D200-F203 CarbonylContact O-C 3.46Å; D200-F203 WeakPolarHBondContact O-CA 3.45Å; D200-F203 WeakPolarHBondContact O-CB 3.36Å; D200-F203 PolarHBondContact O-N 2.81Å; D200-F203 WeakPolarHBondContact OD1-CD2 3.33Å; T201-F203 PolarHBondContact O-N 3.22Å; F203-Y205 WeakPolarHBondContact O-CD2 3.4Å; F203-Y205 WeakPolarHBondContact O-CE2 3.39Å; F203-I220 WeakPolarHBondContact O-CD1 3.41Å; F203-Q232 WeakPolarHBondContact CB-O 3.44Å; F203-Q232 HydrophobicContact CD1-CB 4.04Å; F203-F233 WeakPolarHBondContact O-CA 3.38Å; F203-K235 HydrophobicContact CD1-CB 4.1Å; F203-K235 HydrophobicContact CD1-CD 4.23Å; F203-K235 HydrophobicContact CD2-CB 3.85Å; F203-K235 HydrophobicContact CE1-CB 4.09Å; F203-K235 HydrophobicContact CE1-CD 3.78Å; F203-K235 HydrophobicContact CE2-CB 3.85Å; F203-K235 HydrophobicContact CG-CB 3.98Å; F203-K235 HydrophobicContact CZ-CB 3.97Å; F203-K235 HydrophobicContact CZ-CD 4.1Å; F203-A236 HydrophobicContact CB-CB 4.14Å
204	L	95.4	Very high	82	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-101.4	-1.2	-176.4	-67.8	166.5	0	0	0	113.8	F196 D200 T201 S218 V222 F233 W256	F196-L204 HydrophobicContact CB-CD1 3.82Å; F196-L204 HydrophobicContact CD1-CD2 4.41Å; F196-L204 HydrophobicContact CD2-CD2 4.28Å; F196-L204 HydrophobicContact CG-CD1 4.21Å; F196-L204 HydrophobicContact CG-CD2 4.22Å; D200-L204 HydrophobicContact CB-CD1 3.92Å; D200-L204 HydrophobicContact CB-CG 4.39Å; D200-L204 WeakPolarHBondContact O-CG 3.45Å; D200-L204 PolarHBondContact O-N 2.61Å; D200-L204 VanDerWaalsContact O-N 3.15Å; T201-L204 PolarHBondContact O-N 2.66Å; L204-S218 VanDerWaalsContact O-CB 3.32Å; L204-S218 WeakPolarHBondContact O-CB 3.43Å; L204-S218 PolarHBondContact O-OG 3.33Å; L204-V222 HydrophobicContact CD2-CG1 4.43Å; L204-F233 HydrophobicContact CD2-CD2 3.92Å; L204-F233 HydrophobicContact CD2-CE2 3.58Å; L204-W256 HydrophobicContact CB-CD2 4.24Å; L204-W256 HydrophobicContact CB-CE3 4.4Å; L204-W256 HydrophobicContact CB-CZ2 4.34Å; L204-W256 HydrophobicContact CD1-CB 3.7Å; L204-W256 HydrophobicContact CD1-CD2 3.5Å; L204-W256 HydrophobicContact CD1-CE3 4.23Å; L204-W256 HydrophobicContact CD1-CG 3.24Å; L204-W256 HydrophobicContact CG-CD2 4.46Å
205	Y	92.6	Very high	81.3	Confident	56 Å²	56	46 Å²	46	22%	0.22	23%	0.228	C	C	.	.			trans	50.9	66.5	170.8	-61.6	-102.2	0	0	0	113.1	F203 K219 I220 F230 P231 Q232	F203-Y205 WeakPolarHBondContact O-CD2 3.4Å; F203-Y205 WeakPolarHBondContact O-CE2 3.39Å; Y205-K219 WeakPolarHBondContact O-CB 3.45Å; Y205-K219 VanDerWaalsContact O-CG 3.26Å; Y205-K219 WeakPolarHBondContact O-CG 3.47Å; Y205-K219 PolarHBondContact O-N 2.67Å; Y205-I220 HydrophobicContact CD2-CD1 3.28Å; Y205-I220 HydrophobicContact CD2-CG1 3.98Å; Y205-I220 HydrophobicContact CE2-CD1 3.85Å; Y205-I220 HydrophobicContact CG-CD1 4.17Å; Y205-I220 HydrophobicContact CG-CG1 4.48Å; Y205-F230 AromaticContact CD1-CD1 3.6Å; Y205-F230 HydrophobicContact CD1-CD1 3.6Å; Y205-F230 HydrophobicContact CD1-CE1 4.14Å; Y205-F230 HydrophobicContact CD2-CB 4.13Å; Y205-F230 AromaticContact CD2-CD1 3.99Å; Y205-F230 HydrophobicContact CD2-CD1 3.99Å; Y205-F230 HydrophobicContact CD2-CG 4.41Å; Y205-F230 AromaticContact CE1-CD1 3.78Å; Y205-F230 HydrophobicContact CE1-CD1 3.78Å; Y205-F230 HydrophobicContact CE2-CB 3.69Å; Y205-F230 HydrophobicContact CE2-CD1 4.14Å; Y205-F230 HydrophobicContact CE2-CG 4.37Å; Y205-F230 AromaticContact CG-CD1 3.68Å; Y205-F230 HydrophobicContact CG-CD1 3.68Å; Y205-F230 HydrophobicContact CG-CE1 4.25Å; Y205-F230 VanDerWaalsContact OH-C 3.27Å; Y205-F230 WeakPolarHBondContact OH-CA 3.4Å; Y205-P231 WeakPolarHBondContact OH-CD 3.36Å; Y205-Q232 HydrophobicContact CE2-CB 4.05Å; Y205-Q232 VanDerWaalsContact OH-CB 3.31Å; Y205-Q232 WeakPolarHBondContact OH-CB 3.18Å; Y205-Q232 WeakPolarHBondContact OH-CG 3.3Å; Y205-Q232 PolarHBondContact OH-N 3.02Å
206	P	89.1	Confident	80.7	Confident	36 Å²	36	47.4 Å²	47.4	23%	0.234	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-58.2	146.2	-176.3	21.9	-33.5	0	0	0	113.6	T201 V216 F217 K219 W256	T201-P206 HydrophobicContact CG2-CG 4.34Å; P206-V216 HydrophobicContact CB-CG1 3.71Å; P206-F217 CarbonylContact C-O 3.6Å; P206-F217 WeakPolarHBondContact CA-O 3.38Å; P206-K219 WeakPolarHBondContact O-CE 3.39Å; P206-K219 PolarHBondContact O-NZ 2.79Å; P206-W256 HydrophobicContact CB-CH2 3.93Å; P206-W256 HydrophobicContact CB-CZ2 4.35Å
207	T	81.7	Confident	80.3	Confident	10 Å²	10	47.4 Å²	47.4	6%	0.061	24%	0.237	C	C	.	.			trans	-85.3	112.7	161.4	61.8	0	0	0	0	107.1	V216 F217 K219 N309 P310	T207-V216 WeakPolarHBondContact O-CG1 3.34Å; T207-F217 PolarHBondContact N-O 3.28Å; T207-F217 PolarHBondContact OG1-O 3.11Å; T207-K219 HydrophobicContact CG2-CD 4.37Å; T207-K219 HydrophobicContact CG2-CG 3.51Å; T207-N309 VanDerWaalsContact C-OD1 3.26Å; T207-N309 WeakPolarHBondContact CB-OD1 3.46Å; T207-N309 PolarHBondContact O-OD1 3.15Å; T207-N309 PolarHBondContact OG1-OD1 2.88Å; T207-P310 HydrophobicContact CG2-CG 3.93Å
208	R	64.3	Low	80.1	Confident	211 Å²	211	46.6 Å²	46.6	80%	0.796	23%	0.232	S	C	*	.			trans	-123.5	11.3	-165.8	-143	-163	-172.9	-159.2	1.3	115.9
209	I	57	Low	79.9	Confident	82 Å²	82	49.3 Å²	49.3	42%	0.421	24%	0.24	S	C	.	.	S	Bend	trans	-140.4	124.1	174	-52.4	-174.3	0	0	0	104.3	V292 W307 L308 N309	I209-V292 HydrophobicContact CG2-CB 4.46Å; I209-V292 HydrophobicContact CG2-CG1 3.49Å; I209-V292 VanDerWaalsContact CG2-CG1 3.49Å; I209-V292 HydrophobicContact CG2-CG2 4.11Å; I209-W307 CarbonylContact C-O 2.81Å; I209-W307 WeakPolarHBondContact CA-O 3.21Å; I209-W307 WeakPolarHBondContact CB-O 2.96Å; I209-W307 HydrophobicContact CG2-CB 4.46Å; I209-W307 WeakPolarHBondContact CG2-O 3.43Å; I209-W307 CarbonylContact O-C 3.59Å; I209-L308 CarbonylContact O-C 3.59Å; I209-L308 WeakPolarHBondContact O-CA 3.34Å; I209-N309 PolarHBondContact O-N 3.18Å
210	P	56.7	Low	79.8	Confident	6 Å²	6	42.6 Å²	42.6	4%	0.039	21%	0.208	C	C	.	.	S	Bend	cis	-135.2	169.5	-44.6	49.6	-38.4	0	0	0	115.4	V292 W307 L308 E312	P210-V292 HydrophobicContact CB-CB 4.31Å; P210-V292 HydrophobicContact CB-CG1 4.1Å; P210-V292 HydrophobicContact CB-CG2 4.35Å; P210-V292 HydrophobicContact CG-CB 4.08Å; P210-V292 HydrophobicContact CG-CG1 3.55Å; P210-W307 WeakPolarHBondContact CD-O 3.33Å; P210-L308 VanDerWaalsContact CD-CA 3.42Å; P210-L308 HydrophobicContact CG-CD2 3.79Å; P210-E312 WeakPolarHBondContact O-CG 3.36Å
211	Y	53.1	Low	79.7	Confident	15 Å²	15	43.2 Å²	43.2	6%	0.059	21%	0.212	C	C	.	.			trans	58.7	89.4	164.7	-43.5	-60.6	0	0	0	116.1	E285 T288 R289 V292 E312	Y211-E285 HydrophobicContact CD1-CG 3.85Å; Y211-E285 WeakPolarHBondContact CD1-OE1 3.44Å; Y211-E285 HydrophobicContact CE1-CG 4.24Å; Y211-E285 WeakPolarHBondContact CE1-O 3.26Å; Y211-E285 WeakPolarHBondContact CE1-OE1 3.49Å; Y211-T288 HydrophobicContact CE1-CG2 3.89Å; Y211-T288 WeakPolarHBondContact OH-CB 3.38Å; Y211-T288 WeakPolarHBondContact OH-CG2 3.27Å; Y211-T288 PolarHBondContact OH-O 2.89Å; Y211-R289 HydrophobicContact CD1-CB 3.64Å; Y211-R289 HydrophobicContact CD1-CG 4.1Å; Y211-R289 HydrophobicContact CD2-CB 3.83Å; Y211-R289 HydrophobicContact CD2-CG 3.54Å; Y211-R289 HydrophobicContact CE1-CB 3.57Å; Y211-R289 HydrophobicContact CE1-CG 4.37Å; Y211-R289 HydrophobicContact CE2-CB 3.66Å; Y211-R289 HydrophobicContact CE2-CG 3.74Å; Y211-R289 HydrophobicContact CG-CB 3.91Å; Y211-R289 HydrophobicContact CG-CG 3.84Å; Y211-R289 WeakPolarHBondContact OH-CA 3.34Å; Y211-R289 PolarHBondContact OH-N 3.17Å; Y211-R289 VanDerWaalsContact OH-N 3.08Å; Y211-V292 HydrophobicContact CE2-CB 4.02Å; Y211-V292 HydrophobicContact CE2-CG2 4.5Å; Y211-V292 WeakPolarHBondContact OH-CB 3.35Å; Y211-V292 WeakPolarHBondContact OH-CG2 3.18Å; Y211-E312 WeakPolarHBondContact O-CG 3.32Å
212	E	48.3	Very low	79.8	Confident	23 Å²	23	41.1 Å²	41.1	11%	0.107	20%	0.199	C	C	.	.			trans	-93.7	132.8	136.3	-171	-178	-157.6	0	0	105.8	S214 S215 F217 N309	E212-S214 PolarHBondContact O-N 3.15Å; E212-S215 WeakPolarHBondContact CB-O 3.3Å; E212-S215 VanDerWaalsContact CD-OG 3.32Å; E212-S215 PolarHBondContact O-N 3.06Å; E212-S215 WeakPolarHBondContact OE2-CA 3.34Å; E212-S215 WeakPolarHBondContact OE2-CB 3.16Å; E212-S215 PolarHBondContact OE2-N 3.39Å; E212-S215 PolarHBondContact OE2-OG 3.18Å; E212-F217 WeakPolarHBondContact OE2-CE2 3.38Å; E212-N309 PolarHBondContact N-ND2 2.49Å
213	E	53.8	Low	79.8	Confident	102 Å²	102	39.5 Å²	39.5	48%	0.477	19%	0.187	S	C	.	.	S	Bend	trans	-59.9	3.1	177.3	-69	-175.2	175.1	0	0	113.2	Y179 R289 Y324	Y179-E213 VanDerWaalsContact CD2-O 3.25Å; Y179-E213 WeakPolarHBondContact CD2-O 3.33Å; Y179-E213 WeakPolarHBondContact CE2-O 3.34Å; E213-R289 IonicContact OE1-CZ 3.47Å; E213-R289 IonicContact OE1-NH1 3.33Å; E213-R289 PolarHBondContact OE1-NH1 3.19Å; E213-Y324 WeakPolarHBondContact OE1-CE1 3.04Å; E213-Y324 PolarHBondContact OE1-OH 2.89Å
214	S	63.8	Low	79.8	Confident	32 Å²	32	39.5 Å²	39.5	22%	0.224	19%	0.19	C	C	.	.	S	Bend	trans	-147.9	-11.8	176.7	55.3	0	0	0	0	115.8	D177 S178 E212	D177-S214 CarbonylContact C-O 2.88Å; D177-S214 WeakPolarHBondContact CA-O 3.46Å; S178-S214 PolarHBondContact N-O 3.05Å; E212-S214 PolarHBondContact O-N 3.15Å
215	S	83.6	Confident	79.8	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	159.7	-175.7	-10.3	0	0	0	0	117.4	L176 E212	L176-S215 CarbonylContact O-C 3.36Å; L176-S215 WeakPolarHBondContact O-CA 3.43Å; L176-S215 WeakPolarHBondContact O-CB 3.28Å; E212-S215 WeakPolarHBondContact CB-O 3.3Å; E212-S215 VanDerWaalsContact CD-OG 3.32Å; E212-S215 PolarHBondContact O-N 3.06Å; E212-S215 WeakPolarHBondContact OE2-CA 3.34Å; E212-S215 WeakPolarHBondContact OE2-CB 3.16Å; E212-S215 PolarHBondContact OE2-N 3.39Å; E212-S215 PolarHBondContact OE2-OG 3.18Å
216	V	86.5	Confident	79.9	Confident	31 Å²	31	41 Å²	41	19%	0.188	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.6	170.3	179.4	0	0	0	0	108.3	H175 L176 P206 T207 W256	H175-V216 CarbonylContact C-O 3.54Å; H175-V216 WeakPolarHBondContact CA-O 3.25Å; H175-V216 WeakPolarHBondContact CB-O 3.49Å; L176-V216 HydrophobicContact CD1-CB 3.91Å; L176-V216 HydrophobicContact CD1-CG2 3.97Å; L176-V216 HydrophobicContact CG-CB 4.01Å; L176-V216 PolarHBondContact N-O 3.24Å; L176-V216 PolarHBondContact O-N 2.9Å; P206-V216 HydrophobicContact CB-CG1 3.71Å; T207-V216 WeakPolarHBondContact O-CG1 3.34Å; V216-W256 HydrophobicContact CB-CH2 4.45Å; V216-W256 HydrophobicContact CG1-CH2 3.93Å; V216-W256 WeakPolarHBondContact O-CZ3 3.12Å
217	F	90.6	Very high	80.2	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	152.7	-178.4	-73.8	-85.3	0	0	0	113.4	F87 P173 H175 P206 T207 E212 T311	F87-F217 HydrophobicContact CD1-CD1 4.42Å; F87-F217 HydrophobicContact CE1-CB 4.04Å; F87-F217 HydrophobicContact CE1-CD1 4.28Å; F87-F217 HydrophobicContact CE1-CG 4.29Å; P173-F217 HydrophobicContact CB-CD1 4.09Å; P173-F217 HydrophobicContact CB-CE1 4.26Å; H175-F217 HydrophobicContact CB-CD1 3.61Å; H175-F217 HydrophobicContact CB-CE1 3.72Å; H175-F217 HydrophobicContact CB-CG 4.07Å; H175-F217 HydrophobicContact CB-CZ 4.3Å; H175-F217 AromaticContact CG-CE1 3.95Å; P206-F217 CarbonylContact C-O 3.6Å; P206-F217 WeakPolarHBondContact CA-O 3.38Å; T207-F217 PolarHBondContact N-O 3.28Å; T207-F217 PolarHBondContact OG1-O 3.11Å; E212-F217 WeakPolarHBondContact OE2-CE2 3.38Å; F217-T311 HydrophobicContact CD2-CG2 3.98Å; F217-T311 HydrophobicContact CE2-CG2 3.44Å; F217-T311 VanDerWaalsContact CE2-CG2 3.44Å; F217-T311 WeakPolarHBondContact CE2-OG1 3.41Å; F217-T311 HydrophobicContact CZ-CG2 3.8Å
218	S	93.3	Very high	80.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-84	140.8	168.9	178.7	0	0	0	0	110.2	C174 L204 I220	C174-S218 WeakPolarHBondContact O-CB 3.47Å; C174-S218 PolarHBondContact O-N 3.19Å; L204-S218 VanDerWaalsContact O-CB 3.32Å; L204-S218 WeakPolarHBondContact O-CB 3.43Å; L204-S218 PolarHBondContact O-OG 3.33Å; S218-I220 PolarHBondContact O-N 2.86Å; S218-I220 WeakPolarHBondContact OG-CB 2.97Å; S218-I220 PolarHBondContact OG-N 2.98Å
219	K	91.7	Very high	82.3	Confident	94 Å²	94	49 Å²	49	41%	0.409	24%	0.238	S	C	.	.	S	Bend	trans	-72.2	-9.5	168.9	-68.7	170.3	-177.7	163.8	0	113.1	Y205 P206 T207 F230	Y205-K219 WeakPolarHBondContact O-CB 3.45Å; Y205-K219 VanDerWaalsContact O-CG 3.26Å; Y205-K219 WeakPolarHBondContact O-CG 3.47Å; Y205-K219 PolarHBondContact O-N 2.67Å; P206-K219 WeakPolarHBondContact O-CE 3.39Å; P206-K219 PolarHBondContact O-NZ 2.79Å; T207-K219 HydrophobicContact CG2-CD 4.37Å; T207-K219 HydrophobicContact CG2-CG 3.51Å; K219-F230 HydrophobicContact CB-CE1 4.03Å; K219-F230 HydrophobicContact CB-CZ 3.88Å
220	I	93.8	Very high	84.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-100	136.6	-173.4	-56.2	160.8	0	0	0	110.5	P85 F203 Y205 S218 V222 P225 F230 F233	P85-I220 VanDerWaalsContact CG-C 3.43Å; P85-I220 WeakPolarHBondContact CG-O 3.32Å; F203-I220 WeakPolarHBondContact O-CD1 3.41Å; Y205-I220 HydrophobicContact CD2-CD1 3.28Å; Y205-I220 HydrophobicContact CD2-CG1 3.98Å; Y205-I220 HydrophobicContact CE2-CD1 3.85Å; Y205-I220 HydrophobicContact CG-CD1 4.17Å; Y205-I220 HydrophobicContact CG-CG1 4.48Å; S218-I220 PolarHBondContact O-N 2.86Å; S218-I220 WeakPolarHBondContact OG-CB 2.97Å; S218-I220 PolarHBondContact OG-N 2.98Å; I220-V222 PolarHBondContact O-N 3.15Å; I220-P225 HydrophobicContact CG2-CB 3.75Å; I220-F230 HydrophobicContact CB-CD2 4.45Å; I220-F230 HydrophobicContact CD1-CB 3.97Å; I220-F230 HydrophobicContact CD1-CG 4.28Å; I220-F230 HydrophobicContact CG1-CB 3.77Å; I220-F230 HydrophobicContact CG1-CD1 4.06Å; I220-F230 HydrophobicContact CG1-CD2 3.7Å; I220-F230 HydrophobicContact CG1-CE2 4.22Å; I220-F230 HydrophobicContact CG1-CG 3.59Å; I220-F233 HydrophobicContact CD1-CB 3.77Å; I220-F233 HydrophobicContact CD1-CD2 3.69Å; I220-F233 HydrophobicContact CD1-CG 3.85Å; I220-F233 HydrophobicContact CG2-CD1 4.4Å; I220-F233 HydrophobicContact CG2-CG 4.39Å
221	N	95	Very high	86	Confident	22 Å²	22	48.3 Å²	48.3	12%	0.118	24%	0.238	C	C	.	.			trans	-76.4	100	160.6	-175.4	-11.1	0	0	0	108.9	S82 T83 P85 V223 N224 P225	S82-N221 PolarHBondContact O-ND2 2.86Å; T83-N221 WeakPolarHBondContact O-CB 3.35Å; P85-N221 HydrophobicContact CG-CB 4.29Å; N221-V223 PolarHBondContact O-N 2.79Å; N221-V223 WeakPolarHBondContact OD1-CG2 3.24Å; N221-V223 PolarHBondContact OD1-N 3.32Å; N221-N224 CarbonylContact O-C 3.56Å; N221-N224 PolarHBondContact O-N 3.39Å; N221-N224 VanDerWaalsContact O-N 3.1Å; N221-N224 PolarHBondContact OD1-N 2.94Å; N221-P225 WeakPolarHBondContact O-CA 3.4Å
222	V	95.6	Very high	88	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.006	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.8	-173.4	-62	0	0	0	0	113.8	C174 F196 L204 I220 F233 R238 Y258	C174-V222 HydrophobicContact CB-CB 4.44Å; C174-V222 HydrophobicContact CB-CG1 3.6Å; C174-V222 HydrophobicContact CB-CG2 3.96Å; F196-V222 HydrophobicContact CE2-CB 4.2Å; F196-V222 HydrophobicContact CE2-CG1 4.06Å; F196-V222 HydrophobicContact CE2-CG2 4.36Å; F196-V222 HydrophobicContact CZ-CB 4.07Å; F196-V222 HydrophobicContact CZ-CG1 4.15Å; L204-V222 HydrophobicContact CD2-CG1 4.43Å; I220-V222 PolarHBondContact O-N 3.15Å; V222-F233 HydrophobicContact CB-CE2 4.36Å; V222-F233 HydrophobicContact CB-CZ 3.77Å; V222-F233 HydrophobicContact CG1-CE2 3.82Å; V222-F233 HydrophobicContact CG1-CZ 3.74Å; V222-R238 PolarHBondContact O-NH2 3.32Å; V222-Y258 HydrophobicContact CG2-CD1 4.32Å; V222-Y258 HydrophobicContact CG2-CD2 4.1Å; V222-Y258 HydrophobicContact CG2-CG 3.74Å
223	V	94.7	Very high	90.3	Very high	57 Å²	57	50.5 Å²	50.5	35%	0.345	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-19.2	175.9	-64	0	0	0	0	113	N221 Y258	N221-V223 PolarHBondContact O-N 2.79Å; N221-V223 WeakPolarHBondContact OD1-CG2 3.24Å; N221-V223 PolarHBondContact OD1-N 3.32Å; V223-Y258 HydrophobicContact CG1-CD1 3.79Å; V223-Y258 HydrophobicContact CG1-CE1 3.35Å; V223-Y258 HydrophobicContact CG1-CE2 4.48Å; V223-Y258 HydrophobicContact CG2-CE1 4.48Å; V223-Y258 HydrophobicContact CG2-CE2 4.45Å
224	N	94.9	Very high	92.3	Very high	51 Å²	51	52 Å²	52	27%	0.273	26%	0.256	S	S	.	.	S	Bend	trans	-144.9	71.3	176.1	-174.4	32.5	0	0	0	111	M81 S82 T83 N221	M81-N224 PolarHBondContact O-ND2 2.7Å; S82-N224 PolarHBondContact O-ND2 2.66Å; S82-N224 VanDerWaalsContact O-ND2 3.08Å; T83-N224 WeakPolarHBondContact CA-O 3.49Å; N221-N224 CarbonylContact O-C 3.56Å; N221-N224 PolarHBondContact O-N 3.39Å; N221-N224 VanDerWaalsContact O-N 3.1Å; N221-N224 PolarHBondContact OD1-N 2.94Å
225	P	95.3	Very high	93.9	Very high	38 Å²	38	55.8 Å²	55.8	25%	0.247	27%	0.268	C	S	.	.			trans	-77.2	136.1	-168.6	30.8	-37.1	0	0	0	112.7	I220 N221 L227 F233	I220-P225 HydrophobicContact CG2-CB 3.75Å; N221-P225 WeakPolarHBondContact O-CA 3.4Å; P225-L227 HydrophobicContact CB-CD2 3.96Å; P225-L227 HydrophobicContact CB-CG 4.38Å; P225-L227 HydrophobicContact CG-CD2 4Å; P225-L227 HydrophobicContact CG-CG 4.2Å; P225-L227 PolarHBondContact O-N 3.1Å; P225-L227 VanDerWaalsContact O-N 3.11Å; P225-F233 HydrophobicContact CB-CD1 3.65Å; P225-F233 HydrophobicContact CB-CE1 3.8Å; P225-F233 HydrophobicContact CG-CD1 3.96Å; P225-F233 HydrophobicContact CG-CE1 3.86Å
226	D	95.3	Very high	94.5	Very high	49 Å²	49	56.5 Å²	56.5	26%	0.262	27%	0.274	S	S	.	.			trans	-78.6	88.6	164.3	-176.8	-10.7	0	0	0	110.1	T83 K228 R229 F230	T83-D226 HydrophobicContact CG2-CB 4.43Å; D226-K228 PolarHBondContact O-N 3.24Å; D226-K228 WeakPolarHBondContact OD1-CB 3.44Å; D226-K228 PolarHBondContact OD1-N 3.24Å; D226-R229 HydrophobicContact CB-CB 4.21Å; D226-R229 PolarHBondContact O-N 2.7Å; D226-R229 PolarHBondContact OD1-N 3.43Å; D226-R229 VanDerWaalsContact OD1-N 3.09Å; D226-R229 WeakPolarHBondContact OD2-CB 3.33Å; D226-F230 HydrophobicContact CB-CD2 4.42Å; D226-F230 PolarHBondContact O-N 2.81Å
227	L	95.3	Very high	94.9	Very high	69 Å²	69	58.8 Å²	58.8	36%	0.361	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-14.8	-178.8	-60.9	177.7	0	0	0	113.7	P225 P231 F233 Q234	P225-L227 HydrophobicContact CB-CD2 3.96Å; P225-L227 HydrophobicContact CB-CG 4.38Å; P225-L227 HydrophobicContact CG-CD2 4Å; P225-L227 HydrophobicContact CG-CG 4.2Å; P225-L227 PolarHBondContact O-N 3.1Å; P225-L227 VanDerWaalsContact O-N 3.11Å; L227-P231 VanDerWaalsContact O-CA 3.26Å; L227-P231 WeakPolarHBondContact O-CA 3.42Å; L227-F233 HydrophobicContact CD2-CB 4.31Å; L227-F233 HydrophobicContact CD2-CD1 4.06Å; L227-Q234 HydrophobicContact CD1-CG 4.19Å; L227-Q234 HydrophobicContact CD2-CG 3.89Å
228	K	95.4	Very high	95.3	Very high	204 Å²	204	60.1 Å²	60.1	89%	0.887	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-41	172.1	-65.4	-179.4	179.8	176.4	0	110	D226	D226-K228 PolarHBondContact O-N 3.24Å; D226-K228 WeakPolarHBondContact OD1-CB 3.44Å; D226-K228 PolarHBondContact OD1-N 3.24Å
229	R	93.8	Very high	95.5	Very high	151 Å²	151	60.8 Å²	60.8	57%	0.57	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-34.3	178	-172.5	176.2	169.7	-165.7	-4.6	112.8	D226 P231	D226-R229 HydrophobicContact CB-CB 4.21Å; D226-R229 PolarHBondContact O-N 2.7Å; D226-R229 PolarHBondContact OD1-N 3.43Å; D226-R229 VanDerWaalsContact OD1-N 3.09Å; D226-R229 WeakPolarHBondContact OD2-CB 3.33Å; R229-P231 VanDerWaalsContact C-CD 3.42Å; R229-P231 WeakPolarHBondContact O-CD 3.29Å
230	F	95.6	Very high	95.7	Very high	12 Å²	12	58.2 Å²	58.2	5%	0.053	28%	0.281	C	S	.	.			trans	-126.4	60.2	-173.9	-54.1	-66.2	0	0	0	112.6	Y205 K219 I220 D226 Q232 F233	Y205-F230 AromaticContact CD1-CD1 3.6Å; Y205-F230 HydrophobicContact CD1-CD1 3.6Å; Y205-F230 HydrophobicContact CD1-CE1 4.14Å; Y205-F230 HydrophobicContact CD2-CB 4.13Å; Y205-F230 AromaticContact CD2-CD1 3.99Å; Y205-F230 HydrophobicContact CD2-CD1 3.99Å; Y205-F230 HydrophobicContact CD2-CG 4.41Å; Y205-F230 AromaticContact CE1-CD1 3.78Å; Y205-F230 HydrophobicContact CE1-CD1 3.78Å; Y205-F230 HydrophobicContact CE2-CB 3.69Å; Y205-F230 HydrophobicContact CE2-CD1 4.14Å; Y205-F230 HydrophobicContact CE2-CG 4.37Å; Y205-F230 AromaticContact CG-CD1 3.68Å; Y205-F230 HydrophobicContact CG-CD1 3.68Å; Y205-F230 HydrophobicContact CG-CE1 4.25Å; Y205-F230 VanDerWaalsContact OH-C 3.27Å; Y205-F230 WeakPolarHBondContact OH-CA 3.4Å; K219-F230 HydrophobicContact CB-CE1 4.03Å; K219-F230 HydrophobicContact CB-CZ 3.88Å; I220-F230 HydrophobicContact CB-CD2 4.45Å; I220-F230 HydrophobicContact CD1-CB 3.97Å; I220-F230 HydrophobicContact CD1-CG 4.28Å; I220-F230 HydrophobicContact CG1-CB 3.77Å; I220-F230 HydrophobicContact CG1-CD1 4.06Å; I220-F230 HydrophobicContact CG1-CD2 3.7Å; I220-F230 HydrophobicContact CG1-CE2 4.22Å; I220-F230 HydrophobicContact CG1-CG 3.59Å; D226-F230 HydrophobicContact CB-CD2 4.42Å; D226-F230 PolarHBondContact O-N 2.81Å; F230-Q232 VanDerWaalsContact C-N 3.27Å; F230-Q232 PolarHBondContact O-N 3.33Å; F230-F233 WeakPolarHBondContact O-CB 3.23Å; F230-F233 PolarHBondContact O-N 2.72Å
231	P	96.1	Very high	95.9	Very high	62 Å²	62	59 Å²	59	40%	0.403	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-64.4	-26.8	-171.4	25.5	-36	0	0	0	114.2	Y205 L227 R229 F233 Q234	Y205-P231 WeakPolarHBondContact OH-CD 3.36Å; L227-P231 VanDerWaalsContact O-CA 3.26Å; L227-P231 WeakPolarHBondContact O-CA 3.42Å; R229-P231 VanDerWaalsContact C-CD 3.42Å; R229-P231 WeakPolarHBondContact O-CD 3.29Å; P231-F233 PolarHBondContact O-N 2.97Å; P231-Q234 PolarHBondContact O-N 3.12Å
232	Q	95.4	Very high	96.1	Very high	75 Å²	75	60.5 Å²	60.5	35%	0.35	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-69.5	-17.8	-178.8	-58.2	-61.9	-32.2	0	0	112.7	F203 Y205 F230 Q234 K235	F203-Q232 WeakPolarHBondContact CB-O 3.44Å; F203-Q232 HydrophobicContact CD1-CB 4.04Å; Y205-Q232 HydrophobicContact CE2-CB 4.05Å; Y205-Q232 VanDerWaalsContact OH-CB 3.31Å; Y205-Q232 WeakPolarHBondContact OH-CB 3.18Å; Y205-Q232 WeakPolarHBondContact OH-CG 3.3Å; Y205-Q232 PolarHBondContact OH-N 3.02Å; F230-Q232 VanDerWaalsContact C-N 3.27Å; F230-Q232 PolarHBondContact O-N 3.33Å; Q232-Q234 PolarHBondContact O-N 3.27Å; Q232-Q234 VanDerWaalsContact O-N 3.13Å; Q232-K235 WeakPolarHBondContact O-CB 3.37Å; Q232-K235 PolarHBondContact O-N 3.01Å; Q232-K235 VanDerWaalsContact OE1-CE 3.24Å
233	F	97	Very high	96.2	Very high	9 Å²	9	60.5 Å²	60.5	4%	0.039	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-59	-26.1	178.6	-176.5	-116.8	0	0	0	113.2	F196 F203 L204 I220 V222 P225 L227 F230 P231 K235 A236 R238	F196-F233 AromaticContact CE1-CE2 3.96Å; F196-F233 HydrophobicContact CE1-CE2 3.96Å; F196-F233 HydrophobicContact CE1-CZ 4.08Å; F196-F233 HydrophobicContact CZ-CE2 4.05Å; F196-F233 AromaticContact CZ-CZ 3.95Å; F196-F233 HydrophobicContact CZ-CZ 3.95Å; F203-F233 WeakPolarHBondContact O-CA 3.38Å; L204-F233 HydrophobicContact CD2-CD2 3.92Å; L204-F233 HydrophobicContact CD2-CE2 3.58Å; I220-F233 HydrophobicContact CD1-CB 3.77Å; I220-F233 HydrophobicContact CD1-CD2 3.69Å; I220-F233 HydrophobicContact CD1-CG 3.85Å; I220-F233 HydrophobicContact CG2-CD1 4.4Å; I220-F233 HydrophobicContact CG2-CG 4.39Å; V222-F233 HydrophobicContact CB-CE2 4.36Å; V222-F233 HydrophobicContact CB-CZ 3.77Å; V222-F233 HydrophobicContact CG1-CE2 3.82Å; V222-F233 HydrophobicContact CG1-CZ 3.74Å; P225-F233 HydrophobicContact CB-CD1 3.65Å; P225-F233 HydrophobicContact CB-CE1 3.8Å; P225-F233 HydrophobicContact CG-CD1 3.96Å; P225-F233 HydrophobicContact CG-CE1 3.86Å; L227-F233 HydrophobicContact CD2-CB 4.31Å; L227-F233 HydrophobicContact CD2-CD1 4.06Å; F230-F233 WeakPolarHBondContact O-CB 3.23Å; F230-F233 PolarHBondContact O-N 2.72Å; P231-F233 PolarHBondContact O-N 2.97Å; F233-K235 PolarHBondContact O-N 3.04Å; F233-A236 HydrophobicContact CD2-CB 4.02Å; F233-A236 HydrophobicContact CE2-CB 4.11Å; F233-A236 VanDerWaalsContact O-CB 3.31Å; F233-A236 WeakPolarHBondContact O-CB 3.44Å; F233-A236 PolarHBondContact O-N 3.3Å; F233-R238 VanDerWaalsContact CZ-NH2 3.28Å
234	Q	95.6	Very high	96.4	Very high	135 Å²	135	59.6 Å²	59.6	63%	0.631	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-59.8	-17.2	175.4	-61.5	179.5	-0.9	0	0	113.4	L227 P231 Q232	L227-Q234 HydrophobicContact CD1-CG 4.19Å; L227-Q234 HydrophobicContact CD2-CG 3.89Å; P231-Q234 PolarHBondContact O-N 3.12Å; Q232-Q234 PolarHBondContact O-N 3.27Å; Q232-Q234 VanDerWaalsContact O-N 3.13Å
235	K	96.5	Very high	96.6	Very high	110 Å²	110	60.3 Å²	60.3	48%	0.478	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-88.5	-14.5	178	-61.2	176.8	177.6	174.1	0	113.2	F203 Q232 F233 Q237	F203-K235 HydrophobicContact CD1-CB 4.1Å; F203-K235 HydrophobicContact CD1-CD 4.23Å; F203-K235 HydrophobicContact CD2-CB 3.85Å; F203-K235 HydrophobicContact CE1-CB 4.09Å; F203-K235 HydrophobicContact CE1-CD 3.78Å; F203-K235 HydrophobicContact CE2-CB 3.85Å; F203-K235 HydrophobicContact CG-CB 3.98Å; F203-K235 HydrophobicContact CZ-CB 3.97Å; F203-K235 HydrophobicContact CZ-CD 4.1Å; Q232-K235 WeakPolarHBondContact O-CB 3.37Å; Q232-K235 PolarHBondContact O-N 3.01Å; Q232-K235 VanDerWaalsContact OE1-CE 3.24Å; F233-K235 PolarHBondContact O-N 3.04Å; K235-Q237 PolarHBondContact O-NE2 3.44Å
236	A	96.8	Very high	96.7	Very high	16 Å²	16	58.8 Å²	58.8	13%	0.132	29%	0.291	C	S	.	.			trans	-68.5	134.9	-177.8	0	0	0	0	0	111.1	F196 D200 F203 F233	F196-A236 HydrophobicContact CD1-CB 3.91Å; F196-A236 HydrophobicContact CE1-CB 4.16Å; D200-A236 HydrophobicContact CB-CB 4.29Å; D200-A236 WeakPolarHBondContact OD2-CA 3.46Å; F203-A236 HydrophobicContact CB-CB 4.14Å; F233-A236 HydrophobicContact CD2-CB 4.02Å; F233-A236 HydrophobicContact CE2-CB 4.11Å; F233-A236 VanDerWaalsContact O-CB 3.31Å; F233-A236 WeakPolarHBondContact O-CB 3.44Å; F233-A236 PolarHBondContact O-N 3.3Å
237	Q	96.3	Very high	96.9	Very high	80 Å²	80	58.5 Å²	58.5	37%	0.374	29%	0.288	S	S	.	.			trans	-91.8	102	179.9	-58.3	-51	-43.6	0	0	110.3	P197 D200 K235	P197-Q237 VanDerWaalsContact CD-O 3.26Å; P197-Q237 WeakPolarHBondContact CD-O 3.31Å; P197-Q237 HydrophobicContact CG-CB 4.46Å; D200-Q237 PolarHBondContact OD2-N 3.27Å; K235-Q237 PolarHBondContact O-NE2 3.44Å
238	R	97.2	Very high	97.1	Very high	27 Å²	27	55.2 Å²	55.2	10%	0.102	27%	0.27	C	S	.	.			trans	-83.2	124.4	-177.8	-175.9	177.6	-67.4	175.5	-2.7	111.9	F196 V222 F233 M240 R398 E400	F196-R238 HydrophobicContact CD1-CB 4.24Å; F196-R238 HydrophobicContact CE1-CB 3.7Å; F196-R238 HydrophobicContact CE1-CG 4Å; F196-R238 HydrophobicContact CZ-CB 4.31Å; F196-R238 HydrophobicContact CZ-CG 4.1Å; V222-R238 PolarHBondContact O-NH2 3.32Å; F233-R238 VanDerWaalsContact CZ-NH2 3.28Å; R238-M240 HydrophobicContact CG-CG 3.9Å; R238-M240 HydrophobicContact CG-SD 4.41Å; R238-R398 PolarHBondContact O-N 3.5Å; R238-E400 IonicContact CZ-OE1 3.47Å; R238-E400 IonicContact NE-OE1 2.78Å; R238-E400 IonicContact NH1-OE1 3.59Å; R238-E400 PolarHBondContact NH1-OE1 2.91Å; R238-E400 IonicContact NH2-OE1 2.84Å
239	H	97.9	Very high	97.2	Very high	15 Å²	15	45.5 Å²	45.5	7%	0.069	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	137.9	165.5	-69.5	-109.7	0	0	0	109.2	H194 L195 W255 V395 A396 Q397	H194-H239 WeakPolarHBondContact CA-O 3.07Å; L195-H239 HydrophobicContact CB-CB 3.95Å; L195-H239 PolarHBondContact N-O 3Å; L195-H239 WeakPolarHBondContact O-CB 3.37Å; L195-H239 PolarHBondContact O-N 3.11Å; H239-W255 HydrophobicContact CB-CZ3 4.33Å; H239-W255 AromaticContact CD2-CH2 3.99Å; H239-W255 AromaticContact CD2-CZ3 3.9Å; H239-V395 HydrophobicContact CB-CG1 3.92Å; H239-V395 PolarHBondContact ND1-O 2.8Å; H239-A396 WeakPolarHBondContact CA-O 3.38Å; H239-Q397 PolarHBondContact ND1-N 3.46Å
240	M	97.1	Very high	97.4	Very high	39 Å²	39	38.5 Å²	38.5	19%	0.192	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	140.9	-179.1	-80.4	-171.6	-62.7	0	0	113.3	W193 H194 R238 A396 R398	W193-M240 WeakPolarHBondContact O-CA 3.44Å; H194-M240 PolarHBondContact CE1-SD 2.79Å; H194-M240 PolarHBondContact ND1-SD 3.23Å; H194-M240 VanDerWaalsContact ND1-SD 3.43Å; R238-M240 HydrophobicContact CG-CG 3.9Å; R238-M240 HydrophobicContact CG-SD 4.41Å; M240-A396 PolarHBondContact N-O 2.82Å; M240-A396 VanDerWaalsContact N-O 3.16Å; M240-R398 HydrophobicContact CE-CB 3.97Å; M240-R398 HydrophobicContact CE-CG 4.15Å; M240-R398 VanDerWaalsContact CE-NH1 3.32Å
241	V	97.6	Very high	97.6	Very high	16 Å²	16	38 Å²	38	10%	0.097	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	144.1	173.7	54.1	0	0	0	0	110.3	I45 W193 L195 L249 V395	I45-V241 HydrophobicContact CD1-CB 4.38Å; I45-V241 HydrophobicContact CD1-CG2 3.3Å; I45-V241 HydrophobicContact CG1-CG2 4.03Å; W193-V241 HydrophobicContact CB-CG1 3.72Å; W193-V241 HydrophobicContact CG-CG1 4.29Å; W193-V241 PolarHBondContact N-O 3.24Å; W193-V241 PolarHBondContact O-N 3.15Å; W193-V241 VanDerWaalsContact O-N 3.16Å; L195-V241 HydrophobicContact CD1-CG1 4.04Å; V241-L249 HydrophobicContact CG1-CD1 4.3Å; V241-V395 HydrophobicContact CB-CG1 3.93Å; V241-V395 HydrophobicContact CB-CG2 4.19Å; V241-V395 HydrophobicContact CG1-CG1 3.97Å; V241-V395 HydrophobicContact CG1-CG2 3.94Å
242	T	98.5	Very high	97.6	Very high	55 Å²	55	35.5 Å²	35.5	34%	0.337	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	105.7	161.8	-62.7	0	0	0	0	108.2	R190 K191 I262	R190-T242 HydrophobicContact CB-CG2 3.88Å; R190-T242 HydrophobicContact CG-CG2 4.31Å; K191-T242 CarbonylContact O-C 3.52Å; K191-T242 WeakPolarHBondContact O-CA 3.44Å; T242-I262 HydrophobicContact CG2-CD1 3.54Å
243	L	98.6	Very high	97.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	123.8	-179.6	-166.7	65.4	0	0	0	109.2	I45 V184 Q186 R190 K191 Q247 L249	I45-L243 HydrophobicContact CG2-CD1 4.14Å; V184-L243 HydrophobicContact CG1-CD2 4.38Å; Q186-L243 HydrophobicContact CB-CD2 3.78Å; Q186-L243 HydrophobicContact CB-CG 3.72Å; Q186-L243 HydrophobicContact CG-CG 4.42Å; R190-L243 VanDerWaalsContact CA-O 3.32Å; R190-L243 WeakPolarHBondContact CA-O 3.39Å; K191-L243 PolarHBondContact N-O 3.06Å; K191-L243 VanDerWaalsContact N-O 3.16Å; K191-L243 PolarHBondContact O-N 2.79Å; L243-Q247 HydrophobicContact CD1-CB 3.61Å; L243-Q247 HydrophobicContact CG-CB 4.39Å; L243-L249 HydrophobicContact CD1-CB 3.85Å; L243-L249 HydrophobicContact CD2-CB 3.75Å; L243-L249 HydrophobicContact CG-CB 4.42Å
244	S	98.6	Very high	97.4	Very high	39 Å²	39	37 Å²	37	27%	0.273	19%	0.189	S	C	.	.			trans	-106.8	157	-174.1	-58.8	0	0	0	0	112.2	Q186 G246 Q247	Q186-S244 WeakPolarHBondContact CB-O 3.49Å; S244-G246 PolarHBondContact O-N 3.34Å; S244-Q247 VanDerWaalsContact O-CB 3.3Å; S244-Q247 WeakPolarHBondContact O-CB 3.42Å; S244-Q247 PolarHBondContact O-N 3.03Å; S244-Q247 VanDerWaalsContact O-N 3.07Å
245	P	98.7	Very high	97.5	Very high	66 Å²	66	31.1 Å²	31.1	43%	0.429	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	131.7	176.8	-31.1	38.3	0	0	0	113.1	Q186 G189	Q186-P245 CarbonylContact O-C 3.52Å; Q186-P245 WeakPolarHBondContact O-CA 3.24Å; G189-P245 WeakPolarHBondContact O-CD 3.17Å; G189-P245 WeakPolarHBondContact O-CG 3.35Å
246	G	98.1	Very high	97.5	Very high	6 Å²	6	25.9 Å²	25.9	6%	0.062	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	-2.4	-178.5	0	0	0	0	0	115.3	V50 R56 Q186 S244	V50-G246 VanDerWaalsContact CG2-O 3.28Å; V50-G246 WeakPolarHBondContact CG2-O 3.5Å; R56-G246 VanDerWaalsContact NH1-CA 3.35Å; Q186-G246 PolarHBondContact O-N 3.47Å; S244-G246 PolarHBondContact O-N 3.34Å
247	Q	98.6	Very high	97.6	Very high	43 Å²	43	25.3 Å²	25.3	20%	0.201	13%	0.133	C	C	.	.			trans	-98.5	149.5	175.3	-63.8	-178.3	-42.8	0	0	111.4	I45 Q186 L243 S244	I45-Q247 HydrophobicContact CG2-CB 3.76Å; I45-Q247 HydrophobicContact CG2-CG 4.09Å; Q186-Q247 PolarHBondContact N-O 2.99Å; L243-Q247 HydrophobicContact CD1-CB 3.61Å; L243-Q247 HydrophobicContact CG-CB 4.39Å; S244-Q247 VanDerWaalsContact O-CB 3.3Å; S244-Q247 WeakPolarHBondContact O-CB 3.42Å; S244-Q247 PolarHBondContact O-N 3.03Å; S244-Q247 VanDerWaalsContact O-N 3.07Å
248	V	98.8	Very high	97.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.3	173.5	-177.8	0	0	0	0	109.5	I45 F46 V50 W148 F151 L183 V184 F185	I45-V248 CarbonylContact C-O 3.56Å; I45-V248 WeakPolarHBondContact CA-O 3.28Å; F46-V248 HydrophobicContact CB-CB 4.28Å; F46-V248 PolarHBondContact N-O 3.05Å; F46-V248 PolarHBondContact O-N 3.49Å; V50-V248 HydrophobicContact CG1-CG2 3.6Å; V50-V248 HydrophobicContact CG2-CG2 4.27Å; W148-V248 HydrophobicContact CZ3-CG1 4.3Å; F151-V248 HydrophobicContact CE1-CB 4.4Å; F151-V248 HydrophobicContact CE1-CG1 4.24Å; F151-V248 HydrophobicContact CE2-CG2 4.26Å; F151-V248 HydrophobicContact CZ-CB 3.88Å; F151-V248 HydrophobicContact CZ-CG1 3.9Å; F151-V248 HydrophobicContact CZ-CG2 3.74Å; L183-V248 HydrophobicContact CB-CG1 4.28Å; L183-V248 HydrophobicContact CD2-CG1 4.45Å; V184-V248 CarbonylContact O-C 3.52Å; V184-V248 VanDerWaalsContact O-CA 3.27Å; V184-V248 WeakPolarHBondContact O-CA 3.42Å; F185-V248 HydrophobicContact CB-CG2 4.05Å; F185-V248 HydrophobicContact CD2-CG2 4.1Å; F185-V248 HydrophobicContact CG-CG2 4.34Å
249	L	98.8	Very high	97.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	127.6	173.5	176.9	64.8	0	0	0	109.7	P43 I45 L183 V184 W193 V241 L243 V251 V395	P43-L249 HydrophobicContact CB-CD1 4.44Å; I45-L249 HydrophobicContact CG1-CD1 4.4Å; L183-L249 WeakPolarHBondContact CA-O 3.28Å; V184-L249 HydrophobicContact CB-CB 4.35Å; V184-L249 PolarHBondContact N-O 2.99Å; V184-L249 PolarHBondContact O-N 2.86Å; W193-L249 HydrophobicContact CB-CD2 4.41Å; W193-L249 HydrophobicContact CD2-CD2 3.4Å; W193-L249 HydrophobicContact CE3-CD2 3.63Å; W193-L249 HydrophobicContact CG-CD2 3.74Å; W193-L249 HydrophobicContact CH2-CD2 4.39Å; W193-L249 HydrophobicContact CZ2-CD2 4.2Å; W193-L249 HydrophobicContact CZ3-CD2 4.11Å; V241-L249 HydrophobicContact CG1-CD1 4.3Å; L243-L249 HydrophobicContact CD1-CB 3.85Å; L243-L249 HydrophobicContact CD2-CB 3.75Å; L243-L249 HydrophobicContact CG-CB 4.42Å; L249-V251 HydrophobicContact CD2-CG2 3.84Å; L249-V251 HydrophobicContact CG-CG2 3.91Å; L249-V395 HydrophobicContact CD1-CG2 3.95Å
250	F	98.6	Very high	97.7	Very high	3 Å²	3	22.3 Å²	22.3	1%	0.013	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.7	163.7	169.8	-115.2	0	0	0	109.8	I37 L40 P43 A44 F46 C181 N182 L183 P252	I37-F250 HydrophobicContact CG1-CD2 4.44Å; I37-F250 HydrophobicContact CG2-CD2 4.14Å; I37-F250 HydrophobicContact CG2-CE2 3.71Å; I37-F250 HydrophobicContact CG2-CZ 4.32Å; I37-F250 VanDerWaalsContact O-CZ 3.31Å; I37-F250 WeakPolarHBondContact O-CZ 3.17Å; L40-F250 HydrophobicContact CB-CD1 4.11Å; L40-F250 HydrophobicContact CB-CE1 3.54Å; L40-F250 HydrophobicContact CB-CZ 4.44Å; L40-F250 HydrophobicContact CD1-CD1 3.93Å; L40-F250 HydrophobicContact CD1-CE1 4.2Å; P43-F250 VanDerWaalsContact CA-O 3.26Å; P43-F250 WeakPolarHBondContact CA-O 3.5Å; P43-F250 WeakPolarHBondContact CB-O 3.47Å; A44-F250 PolarHBondContact N-O 2.77Å; A44-F250 PolarHBondContact O-N 3.11Å; F46-F250 HydrophobicContact CD2-CB 4.36Å; F46-F250 HydrophobicContact CE2-CB 3.94Å; C181-F250 HydrophobicContact CB-CE2 3.68Å; C181-F250 HydrophobicContact CB-CZ 4.32Å; N182-F250 WeakPolarHBondContact O-CA 3.2Å; L183-F250 HydrophobicContact CD2-CB 4.06Å; L183-F250 HydrophobicContact CD2-CD2 3.9Å; L183-F250 HydrophobicContact CD2-CG 4.45Å; F250-P252 HydrophobicContact CD1-CG 4.15Å; F250-P252 HydrophobicContact CE1-CB 3.94Å; F250-P252 HydrophobicContact CE1-CG 3.59Å; F250-P252 HydrophobicContact CZ-CB 3.92Å; F250-P252 HydrophobicContact CZ-CG 4.08Å
251	V	98.4	Very high	97.8	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.018	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	111.3	171.5	-173.9	0	0	0	0	107.6	C181 N182 W193 L195 L249 W255	C181-V251 WeakPolarHBondContact CB-O 3.2Å; N182-V251 HydrophobicContact CB-CB 4.11Å; N182-V251 PolarHBondContact N-O 2.99Å; N182-V251 PolarHBondContact O-N 2.81Å; W193-V251 HydrophobicContact CZ3-CG2 4.11Å; L195-V251 HydrophobicContact CD2-CG1 4.05Å; L195-V251 HydrophobicContact CD2-CG2 4.31Å; L249-V251 HydrophobicContact CD2-CG2 3.84Å; L249-V251 HydrophobicContact CG-CG2 3.91Å; V251-W255 HydrophobicContact CG1-CB 3.94Å
252	P	97.1	Very high	97.8	Very high	9 Å²	9	21.3 Å²	21.3	6%	0.058	11%	0.114	C	C	.	.			trans	-66.7	163.3	179	-9.3	21.1	0	0	0	111.6	Q42 P43 F250 H254 W255	Q42-P252 VanDerWaalsContact C-CG 3.42Å; P43-P252 HydrophobicContact CG-CG 4.44Å; F250-P252 HydrophobicContact CD1-CG 4.15Å; F250-P252 HydrophobicContact CE1-CB 3.94Å; F250-P252 HydrophobicContact CE1-CG 3.59Å; F250-P252 HydrophobicContact CZ-CB 3.92Å; F250-P252 HydrophobicContact CZ-CG 4.08Å; P252-H254 PolarHBondContact O-N 3.26Å; P252-W255 HydrophobicContact CB-CG 4.4Å; P252-W255 HydrophobicContact CG-CG 4.15Å; P252-W255 WeakPolarHBondContact O-CB 3.16Å; P252-W255 PolarHBondContact O-N 2.69Å
253	R	93.6	Very high	97.8	Very high	46 Å²	46	20.1 Å²	20.1	17%	0.174	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	137.4	174.6	179.4	174.5	-172.9	71.7	-1.2	111.3	S178 Y179 G180 W255 L275 D278	S178-R253 VanDerWaalsContact O-CZ 3.28Å; S178-R253 PolarHBondContact O-NH1 2.86Å; S178-R253 VanDerWaalsContact O-NH1 3.09Å; S178-R253 PolarHBondContact O-NH2 2.85Å; Y179-R253 VanDerWaalsContact CA-NH1 3.34Å; G180-R253 WeakPolarHBondContact O-CA 3.42Å; G180-R253 WeakPolarHBondContact O-CB 3.15Å; R253-W255 PolarHBondContact O-N 3.47Å; R253-L275 HydrophobicContact CB-CD1 3.87Å; R253-L275 HydrophobicContact CG-CD1 4.4Å; R253-D278 IonicContact CZ-OD1 3.63Å; R253-D278 IonicContact NH1-OD1 3.82Å; R253-D278 PolarHBondContact NH1-OD1 3.05Å; R253-D278 IonicContact NH2-OD1 3.72Å
254	H	93.6	Very high	97.8	Very high	69 Å²	69	24.1 Å²	24.1	32%	0.319	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	4.9	175.3	-58.6	165.5	0	0	0	116.3	L176 D177 P198 P252 W256	L176-H254 HydrophobicContact CD2-CB 4.47Å; D177-H254 PolarHBondContact O-CD2 2.85Å; P198-H254 HydrophobicContact CB-CB 4.19Å; P198-H254 HydrophobicContact CG-CB 4.01Å; P252-H254 PolarHBondContact O-N 3.26Å; H254-W256 PolarHBondContact O-N 3.09Å
255	W	97.7	Very high	97.8	Very high	11 Å²	11	23 Å²	23	4%	0.042	12%	0.123	C	C	.	.			trans	-67.8	123.1	170.9	-88.1	70.6	0	0	0	110.3	Q41 Q42 P43 L195 F196 P197 H239 V251 P252 R253 H257	Q41-W255 PolarHBondContact O-NE1 3.2Å; Q42-W255 HydrophobicContact CB-CZ2 4.25Å; Q42-W255 HydrophobicContact CG-CZ2 4.08Å; P43-W255 VanDerWaalsContact CD-CE2 3.46Å; P43-W255 VanDerWaalsContact CD-CZ3 3.48Å; P43-W255 HydrophobicContact CG-CD2 3.59Å; P43-W255 HydrophobicContact CG-CE3 3.33Å; P43-W255 HydrophobicContact CG-CG 4.26Å; P43-W255 HydrophobicContact CG-CH2 4.02Å; P43-W255 HydrophobicContact CG-CZ2 4.26Å; P43-W255 HydrophobicContact CG-CZ3 3.55Å; L195-W255 HydrophobicContact CB-CE3 3.99Å; L195-W255 HydrophobicContact CB-CZ3 4.15Å; L195-W255 HydrophobicContact CD2-CE3 4.46Å; F196-W255 VanDerWaalsContact C-CE3 3.46Å; P197-W255 HydrophobicContact CB-CH2 3.76Å; P197-W255 HydrophobicContact CB-CZ2 3.78Å; P197-W255 HydrophobicContact CB-CZ3 4.2Å; H239-W255 HydrophobicContact CB-CZ3 4.33Å; H239-W255 AromaticContact CD2-CH2 3.99Å; H239-W255 AromaticContact CD2-CZ3 3.9Å; V251-W255 HydrophobicContact CG1-CB 3.94Å; P252-W255 HydrophobicContact CB-CG 4.4Å; P252-W255 HydrophobicContact CG-CG 4.15Å; P252-W255 WeakPolarHBondContact O-CB 3.16Å; P252-W255 PolarHBondContact O-N 2.69Å; R253-W255 PolarHBondContact O-N 3.47Å; W255-H257 PolarHBondContact O-ND1 2.84Å
256	W	98	Very high	97.8	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	138	174	-68.1	87	0	0	0	109.4	H175 L176 L195 F196 T201 L204 P206 V216 H254	H175-W256 CarbonylContact O-C 3.6Å; H175-W256 VanDerWaalsContact O-CA 3.25Å; H175-W256 WeakPolarHBondContact O-CA 3.09Å; L176-W256 HydrophobicContact CB-CD2 4.03Å; L176-W256 HydrophobicContact CB-CE3 4.35Å; L176-W256 HydrophobicContact CB-CG 4.16Å; L176-W256 HydrophobicContact CD2-CD2 4.08Å; L176-W256 VanDerWaalsContact CD2-CE2 3.45Å; L176-W256 HydrophobicContact CD2-CG 4.48Å; L176-W256 HydrophobicContact CD2-CH2 4.3Å; L176-W256 HydrophobicContact CD2-CZ2 3.57Å; L176-W256 HydrophobicContact CG-CD2 4.26Å; L176-W256 HydrophobicContact CG-CH2 4.4Å; L176-W256 HydrophobicContact CG-CZ2 4.13Å; L195-W256 CarbonylContact C-O 3.05Å; L195-W256 VanDerWaalsContact CA-O 3.24Å; L195-W256 WeakPolarHBondContact CA-O 3.45Å; F196-W256 HydrophobicContact CB-CB 4.01Å; F196-W256 HydrophobicContact CD2-CB 4.27Å; F196-W256 PolarHBondContact N-O 2.81Å; F196-W256 PolarHBondContact O-N 2.77Å; T201-W256 HydrophobicContact CG2-CZ2 4.03Å; T201-W256 PolarHBondContact OG1-NE1 2.99Å; L204-W256 HydrophobicContact CB-CD2 4.24Å; L204-W256 HydrophobicContact CB-CE3 4.4Å; L204-W256 HydrophobicContact CB-CZ2 4.34Å; L204-W256 HydrophobicContact CD1-CB 3.7Å; L204-W256 HydrophobicContact CD1-CD2 3.5Å; L204-W256 HydrophobicContact CD1-CE3 4.23Å; L204-W256 HydrophobicContact CD1-CG 3.24Å; L204-W256 HydrophobicContact CG-CD2 4.46Å; P206-W256 HydrophobicContact CB-CH2 3.93Å; P206-W256 HydrophobicContact CB-CZ2 4.35Å; V216-W256 HydrophobicContact CB-CH2 4.45Å; V216-W256 HydrophobicContact CG1-CH2 3.93Å; V216-W256 WeakPolarHBondContact O-CZ3 3.12Å; H254-W256 PolarHBondContact O-N 3.09Å
257	H	98.2	Very high	97.8	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.019	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	138.6	-177.9	58.1	-82.3	0	0	0	112.6	C174 H175 D177 W193 H194 L195 W255	C174-H257 VanDerWaalsContact CA-O 3.3Å; C174-H257 WeakPolarHBondContact CA-O 3.18Å; H175-H257 AromaticContact CD2-CE1 3.82Å; H175-H257 AromaticContact CD2-NE2 3.75Å; H175-H257 AromaticContact CE1-CD2 3.55Å; H175-H257 AromaticContact CE1-NE2 3.34Å; H175-H257 PolarHBondContact CE1-NE2 2.76Å; H175-H257 VanDerWaalsContact CE1-NE2 3.34Å; H175-H257 PolarHBondContact N-O 2.76Å; H175-H257 PolarHBondContact ND1-O 3.24Å; H175-H257 AromaticContact NE2-CD2 3.77Å; H175-H257 AromaticContact NE2-CE1 3.6Å; H175-H257 AromaticContact NE2-NE2 3.06Å; H175-H257 PolarHBondContact NE2-NE2 3.25Å; H175-H257 PolarHBondContact O-N 2.96Å; H175-H257 PolarHBondContact O-ND1 3.3Å; D177-H257 IonicContact OD1-CE1 2.66Å; D177-H257 IonicContact OD2-CE1 3.39Å; W193-H257 HydrophobicContact CE3-CB 4.16Å; W193-H257 HydrophobicContact CZ3-CB 4.23Å; W193-H257 AromaticContact CZ3-CD2 3.58Å; H194-H257 CarbonylContact O-C 3.56Å; H194-H257 VanDerWaalsContact O-CA 3.23Å; H194-H257 WeakPolarHBondContact O-CA 3.41Å; L195-H257 HydrophobicContact CD2-CB 3.78Å; L195-H257 HydrophobicContact CG-CB 4.4Å; W255-H257 PolarHBondContact O-ND1 2.84Å
258	Y	98.1	Very high	97.8	Very high	6 Å²	6	17.6 Å²	17.6	2%	0.024	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.5	165.1	165.1	-85.4	0	0	0	107.9	H171 T172 W193 H194 V222 V223 E260	H171-Y258 HydrophobicContact CB-CE2 3.93Å; H171-Y258 WeakPolarHBondContact CB-OH 3.43Å; H171-Y258 AromaticContact CD2-CE2 3.71Å; H171-Y258 AromaticContact CG-CE2 4Å; T172-Y258 WeakPolarHBondContact O-CD2 3.03Å; W193-Y258 CarbonylContact C-O 3.59Å; W193-Y258 WeakPolarHBondContact CA-O 3.44Å; H194-Y258 HydrophobicContact CB-CD1 4.35Å; H194-Y258 AromaticContact CD2-CD1 3.63Å; H194-Y258 PolarHBondContact N-O 3.22Å; H194-Y258 PolarHBondContact O-N 3.26Å; V222-Y258 HydrophobicContact CG2-CD1 4.32Å; V222-Y258 HydrophobicContact CG2-CD2 4.1Å; V222-Y258 HydrophobicContact CG2-CG 3.74Å; V223-Y258 HydrophobicContact CG1-CD1 3.79Å; V223-Y258 HydrophobicContact CG1-CE1 3.35Å; V223-Y258 HydrophobicContact CG1-CE2 4.48Å; V223-Y258 HydrophobicContact CG2-CE1 4.48Å; V223-Y258 HydrophobicContact CG2-CE2 4.45Å; Y258-E260 HydrophobicContact CE1-CB 3.71Å
259	V	98	Very high	97.8	Very high	7 Å²	7	17.6 Å²	17.6	4%	0.042	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	133.2	-177.3	55.2	0	0	0	0	110.7	H171 T172 K191 R192 W193	H171-V259 CarbonylContact C-O 3.54Å; H171-V259 WeakPolarHBondContact CA-O 3.35Å; H171-V259 WeakPolarHBondContact CB-O 3.37Å; T172-V259 PolarHBondContact N-O 3.23Å; T172-V259 PolarHBondContact O-N 2.87Å; K191-V259 HydrophobicContact CB-CG2 4.03Å; K191-V259 HydrophobicContact CD-CG2 3.81Å; K191-V259 HydrophobicContact CG-CG2 4.33Å; R192-V259 CarbonylContact O-C 3.54Å; R192-V259 WeakPolarHBondContact O-CA 3.13Å; W193-V259 HydrophobicContact CD2-CB 4.01Å; W193-V259 HydrophobicContact CD2-CG2 3.98Å; W193-V259 HydrophobicContact CE3-CB 4.13Å; W193-V259 HydrophobicContact CG-CG2 4.43Å; W193-V259 HydrophobicContact CH2-CB 4.2Å; W193-V259 HydrophobicContact CH2-CG1 4.45Å; W193-V259 HydrophobicContact CH2-CG2 4.24Å; W193-V259 HydrophobicContact CZ2-CB 4.09Å; W193-V259 HydrophobicContact CZ2-CG2 3.65Å; W193-V259 HydrophobicContact CZ3-CB 4.24Å
260	E	97.8	Very high	97.8	Very high	46 Å²	46	17.7 Å²	17.7	22%	0.215	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	136.4	-179.6	-179.2	-175.3	-155	0	0	111.5	H171 K191 R192 Y258 I262	H171-E260 HydrophobicContact CB-CB 4.13Å; H171-E260 HydrophobicContact CB-CG 4.35Å; K191-E260 CarbonylContact C-O 3.57Å; K191-E260 WeakPolarHBondContact CA-O 2.88Å; R192-E260 PolarHBondContact N-O 3Å; R192-E260 IonicContact NH1-OE2 3.86Å; R192-E260 PolarHBondContact O-N 3.11Å; Y258-E260 HydrophobicContact CE1-CB 3.71Å; E260-I262 HydrophobicContact CG-CG2 4.4Å; E260-I262 PolarHBondContact O-N 3.07Å
261	S	98.5	Very high	97.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	117.9	170.1	-61.8	0	0	0	0	110.5	S167 G169 A170 T266	S167-S261 VanDerWaalsContact O-CB 3.27Å; S167-S261 WeakPolarHBondContact O-CB 3.44Å; G169-S261 PolarHBondContact N-O 3.31Å; A170-S261 WeakPolarHBondContact O-CB 3.01Å; A170-S261 PolarHBondContact O-N 3.25Å; A170-S261 PolarHBondContact O-OG 3.5Å; S261-T266 PolarHBondContact OG-OG1 3.16Å
262	I	98.2	Very high	97.5	Very high	33 Å²	33	19.7 Å²	19.7	17%	0.169	10%	0.099	C	C	.	.			trans	-108.3	-2.9	-176.5	64.1	163.5	0	0	0	114	L168 R190 R192 T242 E260	L168-I262 VanDerWaalsContact CD1-O 3.26Å; L168-I262 WeakPolarHBondContact CD1-O 3.25Å; R190-I262 HydrophobicContact CB-CD1 3.93Å; R190-I262 HydrophobicContact CB-CG1 3.77Å; R190-I262 VanDerWaalsContact O-CG1 3.26Å; R190-I262 WeakPolarHBondContact O-CG1 3.36Å; R190-I262 PolarHBondContact O-N 3.13Å; R190-I262 VanDerWaalsContact O-N 3.07Å; R192-I262 HydrophobicContact CB-CG2 3.73Å; T242-I262 HydrophobicContact CG2-CD1 3.54Å; E260-I262 HydrophobicContact CG-CG2 4.4Å; E260-I262 PolarHBondContact O-N 3.07Å
263	D	98.5	Very high	97.4	Very high	30 Å²	30	19.4 Å²	19.4	16%	0.16	10%	0.097	C	C	.	.	S	Bend	trans	-111.7	161.7	171.3	-74.7	-28.4	0	0	0	110.7	L168 R190 V265 T266	L168-D263 WeakPolarHBondContact CA-O 3.25Å; L168-D263 PolarHBondContact N-O 3.37Å; R190-D263 VanDerWaalsContact CB-OD2 3.29Å; R190-D263 WeakPolarHBondContact CB-OD2 3.38Å; R190-D263 VanDerWaalsContact CG-OD2 3.29Å; R190-D263 WeakPolarHBondContact CG-OD2 3.23Å; R190-D263 IonicContact CZ-OD1 3.46Å; R190-D263 IonicContact CZ-OD2 3.81Å; R190-D263 PolarHBondContact N-OD2 3.47Å; R190-D263 IonicContact NE-OD1 3.32Å; R190-D263 PolarHBondContact NE-OD1 2.79Å; R190-D263 IonicContact NE-OD2 2.91Å; R190-D263 PolarHBondContact NE-OD2 3.29Å; R190-D263 IonicContact NH2-OD1 2.74Å; R190-D263 PolarHBondContact NH2-OD1 3.26Å; R190-D263 IonicContact NH2-OD2 3.82Å; D263-V265 VanDerWaalsContact C-N 3.27Å; D263-V265 PolarHBondContact O-N 2.94Å; D263-T266 HydrophobicContact CB-CG2 4.44Å
264	P	97.3	Very high	97.4	Very high	84 Å²	84	22 Å²	22	55%	0.545	11%	0.111	S	C	.	.	S	Bend	trans	-54.9	-37.6	-175	-29.6	36.7	0	0	0	115	N105 S167 L168	N105-P264 PolarHBondContact ND2-O 3.19Å; S167-P264 WeakPolarHBondContact CA-O 3.33Å; L168-P264 PolarHBondContact N-O 3.2Å
265	V	98.3	Very high	97.2	Very high	15 Å²	15	20.3 Å²	20.3	9%	0.091	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	128.9	174.2	178.1	0	0	0	0	108.1	A60 L102 N105 G166 D263	A60-V265 HydrophobicContact CB-CG1 3.63Å; L102-V265 HydrophobicContact CD2-CG2 4.39Å; N105-V265 WeakPolarHBondContact ND2-CG2 3.49Å; G166-V265 CarbonylContact O-C 3.56Å; G166-V265 WeakPolarHBondContact O-CA 3.47Å; D263-V265 VanDerWaalsContact C-N 3.27Å; D263-V265 PolarHBondContact O-N 2.94Å
266	T	98.8	Very high	96.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145.1	172.8	71	0	0	0	0	110.8	I165 G166 Q188 R190 K191 S261 D263	I165-T266 VanDerWaalsContact CA-O 3.3Å; I165-T266 WeakPolarHBondContact CA-O 3.35Å; G166-T266 PolarHBondContact N-O 3.21Å; G166-T266 PolarHBondContact O-N 3.32Å; Q188-T266 CarbonylContact O-C 3.47Å; Q188-T266 VanDerWaalsContact O-CA 3.24Å; Q188-T266 WeakPolarHBondContact O-CA 3.33Å; R190-T266 WeakPolarHBondContact O-CG2 3.31Å; K191-T266 VanDerWaalsContact CE-OG1 3.23Å; K191-T266 WeakPolarHBondContact CE-OG1 3.39Å; K191-T266 HydrophobicContact CG-CG2 4.24Å; S261-T266 PolarHBondContact OG-OG1 3.16Å; D263-T266 HydrophobicContact CB-CG2 4.44Å
267	V	98.8	Very high	96.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	126.9	169.9	-178	0	0	0	0	107.6	A60 L63 L163 W164 I165 Q186 V187 Q188	A60-V267 HydrophobicContact CB-CG2 4.26Å; L63-V267 HydrophobicContact CD1-CG1 3.83Å; L63-V267 HydrophobicContact CD1-CG2 4.27Å; L163-V267 HydrophobicContact CD1-CG1 3.81Å; W164-V267 VanDerWaalsContact O-CA 3.3Å; W164-V267 WeakPolarHBondContact O-CA 3.4Å; I165-V267 HydrophobicContact CG1-CG2 4.3Å; I165-V267 HydrophobicContact CG2-CG2 4.42Å; Q186-V267 PolarHBondContact NE2-O 2.91Å; V187-V267 HydrophobicContact CB-CB 4.17Å; V187-V267 HydrophobicContact CB-CG1 4.05Å; V187-V267 WeakPolarHBondContact CB-O 3.43Å; V187-V267 HydrophobicContact CG1-CB 4.46Å; V187-V267 HydrophobicContact CG1-CG1 4.27Å; V187-V267 PolarHBondContact N-O 2.78Å; Q188-V267 HydrophobicContact CB-CB 3.82Å; Q188-V267 HydrophobicContact CB-CG2 3.93Å; Q188-V267 PolarHBondContact N-O 3.28Å; Q188-V267 PolarHBondContact O-N 2.78Å
268	S	98.8	Very high	95.6	Very high	3 Å²	3	30 Å²	30	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	151.6	170.9	61	0	0	0	0	110.7	W164 F185 K191	W164-S268 WeakPolarHBondContact CB-OG 3.26Å; W164-S268 PolarHBondContact N-O 2.88Å; W164-S268 PolarHBondContact O-N 3.29Å; F185-S268 CarbonylContact O-C 3.56Å; F185-S268 VanDerWaalsContact O-CA 3.27Å; F185-S268 WeakPolarHBondContact O-CA 3.36Å; F185-S268 WeakPolarHBondContact O-CB 3.35Å; K191-S268 PolarHBondContact NZ-OG 2.85Å
269	I	98.8	Very high	95.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.9	174.8	-58.3	166.5	0	0	0	106.3	A55 W58 F132 V146 W148 T162 L163 F185 V187	A55-I269 HydrophobicContact CB-CD1 4.08Å; W58-I269 HydrophobicContact CE3-CD1 3.9Å; W58-I269 HydrophobicContact CZ3-CD1 3.78Å; F132-I269 HydrophobicContact CE1-CG1 4.37Å; F132-I269 HydrophobicContact CE1-CG2 4.12Å; F132-I269 HydrophobicContact CZ-CD1 3.98Å; F132-I269 HydrophobicContact CZ-CG1 4.07Å; F132-I269 HydrophobicContact CZ-CG2 3.98Å; V146-I269 HydrophobicContact CG1-CG2 4.35Å; V146-I269 HydrophobicContact CG2-CD1 3.96Å; V146-I269 HydrophobicContact CG2-CG2 4.41Å; W148-I269 HydrophobicContact CZ2-CG2 4.26Å; T162-I269 WeakPolarHBondContact O-CA 3.39Å; L163-I269 HydrophobicContact CD1-CG1 3.84Å; F185-I269 WeakPolarHBondContact CA-O 3.47Å; F185-I269 HydrophobicContact CD1-CD1 4.36Å; F185-I269 PolarHBondContact N-O 3Å; F185-I269 PolarHBondContact O-N 3.12Å; V187-I269 HydrophobicContact CG2-CD1 3.74Å; V187-I269 HydrophobicContact CG2-CG1 3.94Å
270	N	98	Very high	94.6	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.011	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	159.8	171	84.2	-65	0	0	0	111.9	S161 T162 W164 N182 L183 V184 W272	S161-N270 VanDerWaalsContact CA-O 3.23Å; S161-N270 WeakPolarHBondContact CA-O 3.34Å; T162-N270 PolarHBondContact N-O 3.04Å; T162-N270 PolarHBondContact O-N 3.04Å; T162-N270 VanDerWaalsContact O-N 3.09Å; T162-N270 PolarHBondContact OG1-OD1 2.99Å; W164-N270 PolarHBondContact NE1-OD1 3.19Å; N182-N270 PolarHBondContact ND2-ND2 3.11Å; N182-N270 WeakPolarHBondContact OD1-CB 3.47Å; N182-N270 PolarHBondContact OD1-ND2 3.13Å; L183-N270 CarbonylContact O-C 3.51Å; L183-N270 WeakPolarHBondContact O-CA 3.31Å; L183-N270 WeakPolarHBondContact O-CB 3.24Å; V184-N270 HydrophobicContact CB-CB 4.27Å; V184-N270 HydrophobicContact CG1-CB 4.26Å; V184-N270 HydrophobicContact CG2-CB 3.89Å; N270-W272 WeakPolarHBondContact ND2-CZ2 3.38Å
271	S	97.4	Very high	94	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	133.4	166.1	-169.7	0	0	0	0	109.7	W148 R156 E160 N182 L183	W148-S271 VanDerWaalsContact CE2-CB 3.46Å; R156-S271 WeakPolarHBondContact CD-OG 3.45Å; R156-S271 PolarHBondContact NE-OG 3.08Å; E160-S271 WeakPolarHBondContact O-CB 3.5Å; E160-S271 PolarHBondContact O-OG 2.94Å; N182-S271 PolarHBondContact OD1-O 2.97Å; L183-S271 PolarHBondContact N-O 3.46Å; L183-S271 PolarHBondContact O-N 2.98Å
272	W	94.9	Very high	93.5	Very high	48 Å²	48	38 Å²	38	18%	0.182	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	132.2	166.8	-67.1	-85.9	0	0	0	109.2	Y129 R156 T162 W164 D177 C181 N182 N270	Y129-W272 AromaticContact CD1-CH2 3.83Å; Y129-W272 HydrophobicContact CD1-CH2 3.83Å; Y129-W272 HydrophobicContact CD1-CZ2 4.45Å; Y129-W272 AromaticContact CE1-CH2 3.72Å; Y129-W272 HydrophobicContact CE1-CH2 3.72Å; Y129-W272 AromaticContact CE1-CZ2 3.88Å; Y129-W272 HydrophobicContact CE1-CZ2 3.88Å; R156-W272 PolarHBondContact NE-O 3.2Å; R156-W272 PolarHBondContact NH2-O 3.15Å; T162-W272 HydrophobicContact CG2-CH2 4.16Å; T162-W272 HydrophobicContact CG2-CZ3 3.57Å; W164-W272 HydrophobicContact CZ2-CH2 4.26Å; D177-W272 PolarHBondContact OD2-NE1 2.92Å; C181-W272 WeakPolarHBondContact O-CA 3.47Å; N182-W272 PolarHBondContact ND2-NE1 2.64Å; N270-W272 WeakPolarHBondContact ND2-CZ2 3.38Å
273	I	94.9	Very high	93	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	117	174.6	-54.6	-52.5	0	0	0	107	M38 F153 G180 C181 L183	M38-I273 HydrophobicContact CE-CG2 3.95Å; F153-I273 HydrophobicContact CD1-CD1 4.1Å; F153-I273 HydrophobicContact CD1-CG2 3.95Å; F153-I273 HydrophobicContact CD2-CD1 3.76Å; F153-I273 HydrophobicContact CD2-CG1 4.38Å; F153-I273 HydrophobicContact CE1-CB 4.36Å; F153-I273 HydrophobicContact CE1-CD1 4.19Å; F153-I273 HydrophobicContact CE1-CG1 4.26Å; F153-I273 HydrophobicContact CE1-CG2 3.23Å; F153-I273 HydrophobicContact CE2-CD1 3.85Å; F153-I273 HydrophobicContact CE2-CG1 3.96Å; F153-I273 HydrophobicContact CE2-CG2 4.39Å; F153-I273 HydrophobicContact CG-CD1 3.89Å; F153-I273 HydrophobicContact CZ-CB 4.31Å; F153-I273 HydrophobicContact CZ-CD1 4.07Å; F153-I273 HydrophobicContact CZ-CG1 3.88Å; F153-I273 HydrophobicContact CZ-CG2 3.51Å; G180-I273 CarbonylContact C-O 3.48Å; G180-I273 WeakPolarHBondContact CA-O 3.37Å; C181-I273 PolarHBondContact N-O 3.36Å; C181-I273 PolarHBondContact O-N 2.68Å; L183-I273 HydrophobicContact CD1-CD1 4.23Å; L183-I273 HydrophobicContact CD1-CG1 4.1Å; L183-I273 HydrophobicContact CG-CG1 4.29Å
274	E	91.9	Very high	92.4	Very high	102 Å²	102	41.3 Å²	41.3	48%	0.477	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-66.8	143.1	177	-54.3	81.6	-175.9	0	0	110.9	R156 D278	R156-E274 IonicContact CZ-OE2 3.38Å; R156-E274 IonicContact NH1-OE2 2.69Å; R156-E274 PolarHBondContact NH1-OE2 2.9Å; R156-E274 IonicContact NH2-OE1 3.94Å; R156-E274 PolarHBondContact NH2-OE1 2.81Å; R156-E274 IonicContact NH2-OE2 3.26Å; R156-E274 PolarHBondContact NH2-OE2 3.06Å; E274-D278 WeakPolarHBondContact CA-OD2 3.41Å
275	L	90.1	Very high	91.7	Very high	32 Å²	32	39.9 Å²	39.9	17%	0.168	19%	0.19	C	C	.	.			trans	-116.4	158.4	177.1	-61.3	174.9	0	0	0	110.4	M38 C181 R253 E277 D278	M38-L275 HydrophobicContact CE-CD2 4.48Å; M38-L275 HydrophobicContact SD-CD2 4Å; C181-L275 HydrophobicContact CB-CD1 4.35Å; R253-L275 HydrophobicContact CB-CD1 3.87Å; R253-L275 HydrophobicContact CG-CD1 4.4Å; L275-E277 WeakPolarHBondContact CB-OE2 3.2Å; L275-E277 PolarHBondContact O-N 3.03Å; L275-D278 PolarHBondContact N-OD2 3.5Å; L275-D278 VanDerWaalsContact O-CB 3.24Å; L275-D278 WeakPolarHBondContact O-CB 3.32Å; L275-D278 PolarHBondContact O-N 3.1Å
276	E	85.9	Confident	91.1	Very high	105 Å²	105	39.6 Å²	39.6	49%	0.491	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-35.9	-177.6	-66.2	-63.4	153.2	0	0	111.8	D278 H279 R335	E276-D278 PolarHBondContact O-N 3.4Å; E276-H279 PolarHBondContact O-N 3.41Å; E276-R335 IonicContact OE1-CZ 3.53Å; E276-R335 IonicContact OE1-NE 2.63Å; E276-R335 PolarHBondContact OE1-NE 2.81Å; E276-R335 IonicContact OE1-NH2 3.4Å; E276-R335 PolarHBondContact OE1-NH2 3.47Å; E276-R335 IonicContact OE2-CZ 3.65Å; E276-R335 IonicContact OE2-NE 3.56Å; E276-R335 PolarHBondContact OE2-NE 3.1Å; E276-R335 IonicContact OE2-NH2 3.69Å; E276-R335 PolarHBondContact OE2-NH2 3.37Å
277	E	86.2	Confident	90.5	Very high	115 Å²	115	41.9 Å²	41.9	54%	0.537	20%	0.201	S	C	.	.	H	α-helix	trans	-64.5	-20.1	178.5	-59.9	77.8	-170.5	0	0	112.5	L275 H279 L280 A281	L275-E277 WeakPolarHBondContact CB-OE2 3.2Å; L275-E277 PolarHBondContact O-N 3.03Å; E277-H279 VanDerWaalsContact C-N 3.28Å; E277-H279 PolarHBondContact O-N 2.81Å; E277-L280 PolarHBondContact O-N 3.25Å; E277-A281 PolarHBondContact O-N 3.24Å; E277-A281 VanDerWaalsContact O-N 3.16Å
278	D	89.3	Confident	89.7	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-66.8	-30.6	-177.1	-64.5	-24.7	0	0	0	112.7	Y179 G180 R253 E274 L275 E276 L280 A281 R282	Y179-D278 WeakPolarHBondContact CA-OD1 3.16Å; Y179-D278 HydrophobicContact CD1-CB 4.24Å; G180-D278 WeakPolarHBondContact CA-OD2 3.5Å; G180-D278 VanDerWaalsContact N-CG 3.25Å; G180-D278 PolarHBondContact N-OD1 3.31Å; G180-D278 PolarHBondContact N-OD2 2.9Å; R253-D278 IonicContact CZ-OD1 3.63Å; R253-D278 IonicContact NH1-OD1 3.82Å; R253-D278 PolarHBondContact NH1-OD1 3.05Å; R253-D278 IonicContact NH2-OD1 3.72Å; E274-D278 WeakPolarHBondContact CA-OD2 3.41Å; L275-D278 PolarHBondContact N-OD2 3.5Å; L275-D278 VanDerWaalsContact O-CB 3.24Å; L275-D278 WeakPolarHBondContact O-CB 3.32Å; L275-D278 PolarHBondContact O-N 3.1Å; E276-D278 PolarHBondContact O-N 3.4Å; D278-L280 VanDerWaalsContact C-N 3.34Å; D278-L280 PolarHBondContact O-N 2.94Å; D278-A281 PolarHBondContact O-N 2.88Å; D278-R282 WeakPolarHBondContact O-CB 3.26Å; D278-R282 VanDerWaalsContact O-CG 3.25Å; D278-R282 WeakPolarHBondContact O-CG 3.4Å; D278-R282 PolarHBondContact O-N 2.72Å; D278-R282 IonicContact OD2-NH1 3.6Å
279	H	87.7	Confident	88.8	Confident	43 Å²	43	45.9 Å²	45.9	20%	0.199	22%	0.222	C	C	.	.	H	α-helix	trans	-64.2	-43.2	-178.6	-67.7	-70.9	0	0	0	111.2	E276 E277 V283 F332	E276-H279 PolarHBondContact O-N 3.41Å; E277-H279 VanDerWaalsContact C-N 3.28Å; E277-H279 PolarHBondContact O-N 2.81Å; H279-V283 WeakPolarHBondContact O-CG2 3.18Å; H279-V283 PolarHBondContact O-N 3.42Å; H279-F332 HydrophobicContact CB-CB 4.3Å; H279-F332 HydrophobicContact CB-CD2 3.72Å; H279-F332 HydrophobicContact CB-CG 4.46Å
280	L	86.1	Confident	88.1	Confident	87 Å²	87	46.6 Å²	46.6	46%	0.455	23%	0.225	S	C	.	.	H	α-helix	trans	-68.6	-46.7	176.1	-179.1	59.8	0	0	0	110.6	E277 D278 R282 V283 E284 F332	E277-L280 PolarHBondContact O-N 3.25Å; D278-L280 VanDerWaalsContact C-N 3.34Å; D278-L280 PolarHBondContact O-N 2.94Å; L280-R282 PolarHBondContact O-N 3.16Å; L280-V283 WeakPolarHBondContact O-CB 3.48Å; L280-V283 PolarHBondContact O-N 3.3Å; L280-E284 PolarHBondContact O-N 3.09Å; L280-F332 HydrophobicContact CB-CD2 4.4Å; L280-F332 HydrophobicContact CB-CE2 4.02Å; L280-F332 HydrophobicContact CD1-CE2 4.33Å
281	A	86.3	Confident	87.3	Confident	16 Å²	16	49.9 Å²	49.9	13%	0.132	24%	0.243	C	C	.	.	H	α-helix	trans	-57.5	-37.3	179.4	0	0	0	0	0	112.3	Y179 E277 D278 V283 E284 E285	Y179-A281 HydrophobicContact CD1-CB 4.19Å; Y179-A281 HydrophobicContact CE1-CB 3.81Å; E277-A281 PolarHBondContact O-N 3.24Å; E277-A281 VanDerWaalsContact O-N 3.16Å; D278-A281 PolarHBondContact O-N 2.88Å; A281-V283 VanDerWaalsContact C-N 3.34Å; A281-V283 PolarHBondContact O-N 3.27Å; A281-E284 PolarHBondContact O-N 2.63Å; A281-E285 WeakPolarHBondContact O-CB 3.24Å; A281-E285 PolarHBondContact O-N 2.86Å
282	R	87.8	Confident	86.4	Confident	80 Å²	80	50.8 Å²	50.8	30%	0.302	25%	0.248	S	C	.	.	H	α-helix	trans	-64.7	-36.4	175.1	-77.9	178	179.4	107.2	4.6	113	Y179 D278 L280 A286 A328	Y179-R282 HydrophobicContact CD1-CG 4.05Å; Y179-R282 HydrophobicContact CE1-CB 4.35Å; Y179-R282 HydrophobicContact CE1-CG 3.49Å; Y179-R282 VanDerWaalsContact CE1-CG 3.49Å; Y179-R282 HydrophobicContact CE2-CG 4.11Å; D278-R282 WeakPolarHBondContact O-CB 3.26Å; D278-R282 VanDerWaalsContact O-CG 3.25Å; D278-R282 WeakPolarHBondContact O-CG 3.4Å; D278-R282 PolarHBondContact O-N 2.72Å; D278-R282 IonicContact OD2-NH1 3.6Å; L280-R282 PolarHBondContact O-N 3.16Å; R282-A286 VanDerWaalsContact O-CB 3.27Å; R282-A286 WeakPolarHBondContact O-CB 3.06Å; R282-A286 PolarHBondContact O-N 3.34Å; R282-A328 HydrophobicContact CB-CB 4.14Å
283	V	87.1	Confident	85.6	Confident	22 Å²	22	49.3 Å²	49.3	13%	0.133	25%	0.245	C	C	.	.	H	α-helix	trans	-67.9	-46.5	175	176.1	0	0	0	0	109.9	H279 L280 A281 E285 A286 I287 L325 A328 V329 F332	H279-V283 WeakPolarHBondContact O-CG2 3.18Å; H279-V283 PolarHBondContact O-N 3.42Å; L280-V283 WeakPolarHBondContact O-CB 3.48Å; L280-V283 PolarHBondContact O-N 3.3Å; A281-V283 VanDerWaalsContact C-N 3.34Å; A281-V283 PolarHBondContact O-N 3.27Å; V283-E285 VanDerWaalsContact C-N 3.33Å; V283-E285 PolarHBondContact O-N 2.68Å; V283-A286 PolarHBondContact O-N 2.97Å; V283-I287 HydrophobicContact CG1-CD1 3.94Å; V283-I287 HydrophobicContact CG1-CG1 4.48Å; V283-I287 WeakPolarHBondContact O-CG1 3.25Å; V283-I287 PolarHBondContact O-N 3.42Å; V283-L325 HydrophobicContact CG1-CD1 4.35Å; V283-A328 HydrophobicContact CG2-CB 3.98Å; V283-V329 HydrophobicContact CG1-CG2 4.08Å; V283-V329 HydrophobicContact CG2-CG2 4.09Å; V283-F332 HydrophobicContact CG2-CB 4.17Å
284	E	85.6	Confident	84.9	Confident	110 Å²	110	51.9 Å²	51.9	51%	0.514	27%	0.266	S	S	.	.	H	α-helix	trans	-57.2	-45.6	176.6	-66.9	178	163.1	0	0	111.7	L280 A281 I287 T288	L280-E284 PolarHBondContact O-N 3.09Å; A281-E284 PolarHBondContact O-N 2.63Å; E284-I287 PolarHBondContact O-N 3.02Å; E284-T288 WeakPolarHBondContact O-CB 3.37Å; E284-T288 PolarHBondContact O-N 3.33Å; E284-T288 PolarHBondContact O-OG1 3.19Å
285	E	83.6	Confident	84.3	Confident	55 Å²	55	52.2 Å²	52.2	26%	0.257	27%	0.271	S	S	.	.	H	α-helix	trans	-67.7	-40.2	179.3	-165.9	65.2	-173.8	0	0	111.6	Y179 Y211 A281 V283 I287 T288 R289	Y179-E285 VanDerWaalsContact OH-CB 3.24Å; Y179-E285 WeakPolarHBondContact OH-CB 2.84Å; Y211-E285 HydrophobicContact CD1-CG 3.85Å; Y211-E285 WeakPolarHBondContact CD1-OE1 3.44Å; Y211-E285 HydrophobicContact CE1-CG 4.24Å; Y211-E285 WeakPolarHBondContact CE1-O 3.26Å; Y211-E285 WeakPolarHBondContact CE1-OE1 3.49Å; A281-E285 WeakPolarHBondContact O-CB 3.24Å; A281-E285 PolarHBondContact O-N 2.86Å; V283-E285 VanDerWaalsContact C-N 3.33Å; V283-E285 PolarHBondContact O-N 2.68Å; E285-I287 PolarHBondContact O-N 2.65Å; E285-T288 PolarHBondContact O-N 3.44Å; E285-R289 WeakPolarHBondContact O-CB 3.41Å; E285-R289 PolarHBondContact O-N 3.49Å
286	A	85.6	Confident	83.5	Confident	9 Å²	9	52.9 Å²	52.9	7%	0.074	27%	0.272	C	S	.	.	H	α-helix	trans	-65.6	-38	176.8	0	0	0	0	0	112.7	R282 V283 R289 M290 L325 A328	R282-A286 VanDerWaalsContact O-CB 3.27Å; R282-A286 WeakPolarHBondContact O-CB 3.06Å; R282-A286 PolarHBondContact O-N 3.34Å; V283-A286 PolarHBondContact O-N 2.97Å; A286-R289 PolarHBondContact O-N 3.13Å; A286-M290 PolarHBondContact O-N 3.44Å; A286-M290 VanDerWaalsContact O-N 3.08Å; A286-L325 HydrophobicContact CB-CB 4.18Å; A286-L325 HydrophobicContact CB-CD1 3.98Å; A286-A328 HydrophobicContact CB-CB 4.24Å
287	I	85.3	Confident	82.9	Confident	48 Å²	48	52.8 Å²	52.8	25%	0.246	28%	0.279	C	S	.	.	H	α-helix	trans	-64.2	-49.6	173.3	-69.1	169.6	0	0	0	109.9	V283 E284 E285 R289 M290 L291 L325 L465	V283-I287 HydrophobicContact CG1-CD1 3.94Å; V283-I287 HydrophobicContact CG1-CG1 4.48Å; V283-I287 WeakPolarHBondContact O-CG1 3.25Å; V283-I287 PolarHBondContact O-N 3.42Å; E284-I287 PolarHBondContact O-N 3.02Å; E285-I287 PolarHBondContact O-N 2.65Å; I287-R289 PolarHBondContact O-N 3.08Å; I287-M290 PolarHBondContact O-N 2.79Å; I287-L291 HydrophobicContact CG2-CD1 4.11Å; I287-L291 WeakPolarHBondContact O-CG 3.44Å; I287-L291 PolarHBondContact O-N 3.43Å; I287-L291 VanDerWaalsContact O-N 3.11Å; I287-L325 HydrophobicContact CD1-CD1 4.46Å; I287-L325 HydrophobicContact CG1-CD1 3.61Å; I287-L325 HydrophobicContact CG1-CD2 4.48Å; I287-L465 HydrophobicContact CG1-CD1 4.28Å; I287-L465 HydrophobicContact CG2-CD1 4.36Å
288	T	82	Confident	82.1	Confident	60 Å²	60	51.4 Å²	51.4	37%	0.368	29%	0.287	S	S	.	.	H	α-helix	trans	-54.7	-45.6	177.6	-53.5	0	0	0	0	108.4	Y211 E284 E285 M290 L291 V292	Y211-T288 HydrophobicContact CE1-CG2 3.89Å; Y211-T288 WeakPolarHBondContact OH-CB 3.38Å; Y211-T288 WeakPolarHBondContact OH-CG2 3.27Å; Y211-T288 PolarHBondContact OH-O 2.89Å; E284-T288 WeakPolarHBondContact O-CB 3.37Å; E284-T288 PolarHBondContact O-N 3.33Å; E284-T288 PolarHBondContact O-OG1 3.19Å; E285-T288 PolarHBondContact O-N 3.44Å; T288-M290 PolarHBondContact O-N 3.43Å; T288-L291 WeakPolarHBondContact O-CB 3.44Å; T288-L291 PolarHBondContact O-N 3.5Å; T288-L291 VanDerWaalsContact O-N 3.1Å; T288-V292 HydrophobicContact CG2-CG2 4.42Å; T288-V292 PolarHBondContact O-N 3.3Å
289	R	81.7	Confident	81	Confident	27 Å²	27	53.9 Å²	53.9	10%	0.102	30%	0.299	C	S	.	.	H	α-helix	trans	-53.2	-52.6	178.2	-171	172.8	-179.3	174.5	5.5	114.5	Y211 E213 E285 A286 I287 L291 V292 C293 T316 N321 Y324	Y211-R289 HydrophobicContact CD1-CB 3.64Å; Y211-R289 HydrophobicContact CD1-CG 4.1Å; Y211-R289 HydrophobicContact CD2-CB 3.83Å; Y211-R289 HydrophobicContact CD2-CG 3.54Å; Y211-R289 HydrophobicContact CE1-CB 3.57Å; Y211-R289 HydrophobicContact CE1-CG 4.37Å; Y211-R289 HydrophobicContact CE2-CB 3.66Å; Y211-R289 HydrophobicContact CE2-CG 3.74Å; Y211-R289 HydrophobicContact CG-CB 3.91Å; Y211-R289 HydrophobicContact CG-CG 3.84Å; Y211-R289 WeakPolarHBondContact OH-CA 3.34Å; Y211-R289 PolarHBondContact OH-N 3.17Å; Y211-R289 VanDerWaalsContact OH-N 3.08Å; E213-R289 IonicContact OE1-CZ 3.47Å; E213-R289 IonicContact OE1-NH1 3.33Å; E213-R289 PolarHBondContact OE1-NH1 3.19Å; E285-R289 WeakPolarHBondContact O-CB 3.41Å; E285-R289 PolarHBondContact O-N 3.49Å; A286-R289 PolarHBondContact O-N 3.13Å; I287-R289 PolarHBondContact O-N 3.08Å; R289-L291 VanDerWaalsContact C-N 3.3Å; R289-L291 PolarHBondContact O-N 3.27Å; R289-V292 PolarHBondContact O-N 3Å; R289-C293 WeakPolarHBondContact O-CB 3.38Å; R289-C293 PolarHBondContact O-N 3.26Å; R289-C293 VanDerWaalsContact O-N 3.07Å; R289-C293 PolarHBondContact O-SG 3.46Å; R289-C293 VanDerWaalsContact O-SG 3.33Å; R289-T316 PolarHBondContact NE-OG1 3Å; R289-N321 PolarHBondContact NE-OD1 3.15Å; R289-Y324 VanDerWaalsContact CZ-CE2 3.45Å
290	M	82	Confident	79.8	Confident	14 Å²	14	55.9 Å²	55.9	7%	0.069	31%	0.311	C	S	.	.	H	α-helix	trans	-58.1	-45.3	177.7	-163.7	176.4	-56.5	0	0	112.1	A286 I287 T288 A294 N321 C322 L325 L465	A286-M290 PolarHBondContact O-N 3.44Å; A286-M290 VanDerWaalsContact O-N 3.08Å; I287-M290 PolarHBondContact O-N 2.79Å; T288-M290 PolarHBondContact O-N 3.43Å; M290-A294 WeakPolarHBondContact O-CB 3.43Å; M290-A294 PolarHBondContact O-N 3.37Å; M290-A294 VanDerWaalsContact O-N 3.08Å; M290-N321 HydrophobicContact CB-CB 4.36Å; M290-N321 HydrophobicContact CG-CB 4.31Å; M290-C322 HydrophobicContact CE-CB 4.43Å; M290-L325 HydrophobicContact CE-CB 3.65Å; M290-L325 HydrophobicContact CE-CD2 3.44Å; M290-L325 VanDerWaalsContact CE-CD2 3.44Å; M290-L325 HydrophobicContact CE-CG 4.18Å; M290-L325 HydrophobicContact SD-CD2 4.43Å; M290-L465 HydrophobicContact CE-CD2 4.34Å; M290-L465 HydrophobicContact SD-CD2 3.44Å; M290-L465 WeakPolarHBondContact SD-CD2 3.47Å
291	L	81.7	Confident	78.7	Confident	71 Å²	71	58 Å²	58	37%	0.372	33%	0.33	S	S	.	.	H	α-helix	trans	-65.3	-49.1	-178.3	-69.6	174.6	0	0	0	112.7	I287 T288 R289 A294 L295 L469	I287-L291 HydrophobicContact CG2-CD1 4.11Å; I287-L291 WeakPolarHBondContact O-CG 3.44Å; I287-L291 PolarHBondContact O-N 3.43Å; I287-L291 VanDerWaalsContact O-N 3.11Å; T288-L291 WeakPolarHBondContact O-CB 3.44Å; T288-L291 PolarHBondContact O-N 3.5Å; T288-L291 VanDerWaalsContact O-N 3.1Å; R289-L291 VanDerWaalsContact C-N 3.3Å; R289-L291 PolarHBondContact O-N 3.27Å; L291-A294 PolarHBondContact O-N 3.31Å; L291-L295 WeakPolarHBondContact O-CG 3.16Å; L291-L295 PolarHBondContact O-N 3.45Å; L291-L469 HydrophobicContact CD1-CD2 4.35Å; L291-L469 HydrophobicContact CD2-CD1 3.79Å
292	V	78.5	Confident	77.3	Confident	19 Å²	19	64.5 Å²	64.5	12%	0.115	36%	0.358	C	S	.	.	H	α-helix	trans	-68.4	-40.9	-177	178	0	0	0	0	111.4	I209 P210 Y211 T288 R289 A294 L295 K296	I209-V292 HydrophobicContact CG2-CB 4.46Å; I209-V292 HydrophobicContact CG2-CG1 3.49Å; I209-V292 VanDerWaalsContact CG2-CG1 3.49Å; I209-V292 HydrophobicContact CG2-CG2 4.11Å; P210-V292 HydrophobicContact CB-CB 4.31Å; P210-V292 HydrophobicContact CB-CG1 4.1Å; P210-V292 HydrophobicContact CB-CG2 4.35Å; P210-V292 HydrophobicContact CG-CB 4.08Å; P210-V292 HydrophobicContact CG-CG1 3.55Å; Y211-V292 HydrophobicContact CE2-CB 4.02Å; Y211-V292 HydrophobicContact CE2-CG2 4.5Å; Y211-V292 WeakPolarHBondContact OH-CB 3.35Å; Y211-V292 WeakPolarHBondContact OH-CG2 3.18Å; T288-V292 HydrophobicContact CG2-CG2 4.42Å; T288-V292 PolarHBondContact O-N 3.3Å; R289-V292 PolarHBondContact O-N 3Å; V292-A294 VanDerWaalsContact C-N 3.29Å; V292-A294 PolarHBondContact O-N 2.94Å; V292-L295 PolarHBondContact O-N 3.36Å; V292-K296 WeakPolarHBondContact O-CB 3.5Å; V292-K296 PolarHBondContact O-N 3.11Å
293	C	79.3	Confident	75.9	Confident	17 Å²	17	64 Å²	64	12%	0.115	36%	0.361	C	S	.	.	H	α-helix	trans	-61.6	-38.2	175.1	-69.6	0	0	0	0	111.7	R289 T297 N321	R289-C293 WeakPolarHBondContact O-CB 3.38Å; R289-C293 PolarHBondContact O-N 3.26Å; R289-C293 VanDerWaalsContact O-N 3.07Å; R289-C293 PolarHBondContact O-SG 3.46Å; R289-C293 VanDerWaalsContact O-SG 3.33Å; C293-T297 WeakPolarHBondContact O-CG2 3.26Å; C293-T297 PolarHBondContact O-N 3.21Å; C293-T297 VanDerWaalsContact O-N 3.14Å; C293-T297 PolarHBondContact O-OG1 3.21Å; C293-N321 VanDerWaalsContact CB-ND2 3.3Å; C293-N321 WeakPolarHBondContact CB-ND2 3.37Å
294	A	79.5	Confident	74.2	Confident	56 Å²	56	69.3 Å²	69.3	46%	0.463	39%	0.394	S	S	.	.	H	α-helix	trans	-66.8	-39.7	175.3	0	0	0	0	0	112.5	M290 L291 V292 T297	M290-A294 WeakPolarHBondContact O-CB 3.43Å; M290-A294 PolarHBondContact O-N 3.37Å; M290-A294 VanDerWaalsContact O-N 3.08Å; L291-A294 PolarHBondContact O-N 3.31Å; V292-A294 VanDerWaalsContact C-N 3.29Å; V292-A294 PolarHBondContact O-N 2.94Å; A294-T297 PolarHBondContact O-OG1 3.01Å
295	L	78.4	Confident	72.9	Confident	110 Å²	110	73.4 Å²	73.4	58%	0.576	41%	0.405	S	S	*	.	H	α-helix	trans	-68.6	-40.5	176.4	-69	172.9	0	0	0	112	L291 V292 A298 E299	L291-L295 WeakPolarHBondContact O-CG 3.16Å; L291-L295 PolarHBondContact O-N 3.45Å; V292-L295 PolarHBondContact O-N 3.36Å; L295-A298 WeakPolarHBondContact O-CB 3.39Å; L295-A298 PolarHBondContact O-N 3.06Å; L295-A298 VanDerWaalsContact O-N 3.14Å; L295-E299 PolarHBondContact O-N 3.29Å
296	K	73.6	Confident	71.8	Confident	45 Å²	45	75.4 Å²	75.4	20%	0.196	43%	0.43	C	S	.	.	H	α-helix	trans	-64.9	-40	-179.6	-167.5	179.1	-175	-146.3	0	112.2	V292 A298 E299 L308 E315	V292-K296 WeakPolarHBondContact O-CB 3.5Å; V292-K296 PolarHBondContact O-N 3.11Å; K296-A298 PolarHBondContact O-N 3.09Å; K296-A298 VanDerWaalsContact O-N 3.16Å; K296-E299 WeakPolarHBondContact O-CB 3.34Å; K296-E299 PolarHBondContact O-N 2.84Å; K296-L308 HydrophobicContact CD-CD2 3.78Å; K296-L308 HydrophobicContact CD-CG 4.37Å; K296-L308 VanDerWaalsContact NZ-CD1 3.31Å; K296-E315 HydrophobicContact CD-CG 3.99Å; K296-E315 WeakPolarHBondContact CD-OE1 3.47Å; K296-E315 WeakPolarHBondContact CE-OE1 3.43Å; K296-E315 VanDerWaalsContact NZ-CG 3.32Å; K296-E315 IonicContact NZ-OE1 2.99Å; K296-E315 PolarHBondContact NZ-OE1 3.2Å
297	T	73.4	Confident	70.6	Confident	103 Å²	103	79.1 Å²	79.1	63%	0.632	44%	0.443	S	S	*	.	H	α-helix	trans	-64.8	-17.6	176.3	50.6	0	0	0	0	113.3	C293 A294	C293-T297 WeakPolarHBondContact O-CG2 3.26Å; C293-T297 PolarHBondContact O-N 3.21Å; C293-T297 VanDerWaalsContact O-N 3.14Å; C293-T297 PolarHBondContact O-OG1 3.21Å; A294-T297 PolarHBondContact O-OG1 3.01Å
298	A	70.1	Confident	69.8	Low	86 Å²	86	78.4 Å²	78.4	71%	0.711	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-6.2	174.4	0	0	0	0	0	114	L295 K296	L295-A298 WeakPolarHBondContact O-CB 3.39Å; L295-A298 PolarHBondContact O-N 3.06Å; L295-A298 VanDerWaalsContact O-N 3.14Å; K296-A298 PolarHBondContact O-N 3.09Å; K296-A298 VanDerWaalsContact O-N 3.16Å
299	E	66.2	Low	69.2	Low	53 Å²	53	75.8 Å²	75.8	25%	0.248	42%	0.423	C	S	.	.	S	Bend	trans	-74.1	153.1	-180	-78.3	-150.5	112.2	0	0	113.1	L295 K296 P301 N303 W307	L295-E299 PolarHBondContact O-N 3.29Å; K296-E299 WeakPolarHBondContact O-CB 3.34Å; K296-E299 PolarHBondContact O-N 2.84Å; E299-P301 WeakPolarHBondContact O-CD 2.95Å; E299-N303 PolarHBondContact OE1-ND2 3.02Å; E299-W307 VanDerWaalsContact CD-CZ2 3.49Å; E299-W307 HydrophobicContact CG-CH2 4.46Å; E299-W307 WeakPolarHBondContact OE1-CH2 3.41Å; E299-W307 WeakPolarHBondContact OE1-CZ2 3.33Å
300	N	61.4	Low	68.7	Low	86 Å²	86	76.3 Å²	76.3	46%	0.46	43%	0.43	S	S	.	.			trans	-66.9	127.6	174.3	-177.2	-18.1	0	0	0	109.9	Q302 N303	N300-Q302 VanDerWaalsContact CG-OE1 3.29Å; N300-Q302 PolarHBondContact ND2-OE1 2.59Å; N300-Q302 PolarHBondContact O-N 3.22Å; N300-Q302 WeakPolarHBondContact OD1-CB 3.43Å; N300-Q302 PolarHBondContact OD1-N 2.79Å; N300-Q302 PolarHBondContact OD1-OE1 3.18Å; N300-N303 PolarHBondContact O-N 3.35Å
301	P	63.4	Low	68.3	Low	130 Å²	130	76.4 Å²	76.4	84%	0.844	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-15	175.8	-26	33.3	0	0	0	115.6	E299	E299-P301 WeakPolarHBondContact O-CD 2.95Å
302	Q	57.3	Low	67.8	Low	153 Å²	153	76 Å²	76	72%	0.715	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-8.4	177.5	-64.9	128	22.9	0	0	113.8	N300 T304	N300-Q302 VanDerWaalsContact CG-OE1 3.29Å; N300-Q302 PolarHBondContact ND2-OE1 2.59Å; N300-Q302 PolarHBondContact O-N 3.22Å; N300-Q302 WeakPolarHBondContact OD1-CB 3.43Å; N300-Q302 PolarHBondContact OD1-N 2.79Å; N300-Q302 PolarHBondContact OD1-OE1 3.18Å; Q302-T304 PolarHBondContact O-N 2.85Å
303	N	58.3	Low	67.1	Low	69 Å²	69	80.8 Å²	80.8	37%	0.369	46%	0.456	S	S	.	.			trans	-82.2	107.5	175.2	-167.5	3.5	0	0	0	109.8	E299 N300 R305	E299-N303 PolarHBondContact OE1-ND2 3.02Å; N300-N303 PolarHBondContact O-N 3.35Å; N303-R305 VanDerWaalsContact C-N 3.33Å; N303-R305 PolarHBondContact OD1-N 3.21Å
304	T	52.4	Low	66.3	Low	135 Å²	135	86.9 Å²	86.9	83%	0.828	48%	0.483	S	S	*	.			trans	-88.9	6.5	-177.9	53.2	0	0	0	0	113.7	Q302 A306	Q302-T304 PolarHBondContact O-N 2.85Å; T304-A306 PolarHBondContact O-N 3.07Å; T304-A306 VanDerWaalsContact O-N 3.13Å
305	R	56.6	Low	65.6	Low	195 Å²	195	89.8 Å²	89.8	74%	0.736	49%	0.487	S	S	*	.			trans	-64.9	119.4	176.5	-77.7	-173.2	176.5	169.5	0.8	108.7	N303 W307	N303-R305 VanDerWaalsContact C-N 3.33Å; N303-R305 PolarHBondContact OD1-N 3.21Å; R305-W307 VanDerWaalsContact C-N 3.31Å; R305-W307 PolarHBondContact O-N 2.76Å
306	A	60.8	Low	65.4	Low	97 Å²	97	85.8 Å²	85.8	80%	0.802	47%	0.467	S	S	*	.			trans	-67.5	94.8	169.2	0	0	0	0	0	108.2	T304 L308	T304-A306 PolarHBondContact O-N 3.07Å; T304-A306 VanDerWaalsContact O-N 3.13Å; A306-L308 VanDerWaalsContact C-N 3.26Å
307	W	61.1	Low	65.8	Low	88 Å²	88	86.7 Å²	86.7	33%	0.333	48%	0.479	S	S	.	.			trans	-80.2	-10.6	172.8	-77.4	38.3	0	0	0	112	I209 P210 E299 R305	I209-W307 CarbonylContact C-O 2.81Å; I209-W307 WeakPolarHBondContact CA-O 3.21Å; I209-W307 WeakPolarHBondContact CB-O 2.96Å; I209-W307 HydrophobicContact CG2-CB 4.46Å; I209-W307 WeakPolarHBondContact CG2-O 3.43Å; I209-W307 CarbonylContact O-C 3.59Å; P210-W307 WeakPolarHBondContact CD-O 3.33Å; E299-W307 VanDerWaalsContact CD-CZ2 3.49Å; E299-W307 HydrophobicContact CG-CH2 4.46Å; E299-W307 WeakPolarHBondContact OE1-CH2 3.41Å; E299-W307 WeakPolarHBondContact OE1-CZ2 3.33Å; R305-W307 VanDerWaalsContact C-N 3.31Å; R305-W307 PolarHBondContact O-N 2.76Å
308	L	69	Low	66.2	Low	32 Å²	32	86.7 Å²	86.7	17%	0.168	47%	0.472	C	S	.	.	S	Bend	trans	-90.3	158.4	180	-52.8	-174.6	0	0	0	112.2	I209 P210 K296 A306 E312	I209-L308 CarbonylContact O-C 3.59Å; I209-L308 WeakPolarHBondContact O-CA 3.34Å; P210-L308 VanDerWaalsContact CD-CA 3.42Å; P210-L308 HydrophobicContact CG-CD2 3.79Å; K296-L308 HydrophobicContact CD-CD2 3.78Å; K296-L308 HydrophobicContact CD-CG 4.37Å; K296-L308 VanDerWaalsContact NZ-CD1 3.31Å; A306-L308 VanDerWaalsContact C-N 3.26Å; L308-E312 HydrophobicContact CB-CB 4.21Å; L308-E312 HydrophobicContact CD1-CB 4.42Å
309	N	69.1	Low	66.9	Low	6 Å²	6	85.7 Å²	85.7	3%	0.032	46%	0.463	C	S	.	.			trans	-54.8	142.1	170.6	-93.4	-21.1	0	0	0	108	T207 I209 E212 T311 E312	T207-N309 VanDerWaalsContact C-OD1 3.26Å; T207-N309 WeakPolarHBondContact CB-OD1 3.46Å; T207-N309 PolarHBondContact O-OD1 3.15Å; T207-N309 PolarHBondContact OG1-OD1 2.88Å; I209-N309 PolarHBondContact O-N 3.18Å; E212-N309 PolarHBondContact N-ND2 2.49Å; N309-T311 PolarHBondContact O-N 3.01Å; N309-E312 HydrophobicContact CB-CB 4.35Å; N309-E312 HydrophobicContact CB-CG 4.04Å; N309-E312 PolarHBondContact O-N 3.34Å
310	P	71.4	Confident	67.8	Low	38 Å²	38	86 Å²	86	25%	0.247	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.4	-178.3	-27.2	35.3	0	0	0	112.4	F87 T89 T207	F87-P310 HydrophobicContact CB-CB 3.92Å; F87-P310 HydrophobicContact CD1-CB 3.91Å; F87-P310 HydrophobicContact CD1-CG 4.34Å; F87-P310 HydrophobicContact CD2-CB 3.36Å; F87-P310 HydrophobicContact CD2-CG 3.88Å; F87-P310 HydrophobicContact CE1-CB 4.24Å; F87-P310 HydrophobicContact CE1-CG 4.17Å; F87-P310 HydrophobicContact CE2-CB 3.74Å; F87-P310 HydrophobicContact CE2-CG 3.68Å; F87-P310 HydrophobicContact CG-CB 3.45Å; F87-P310 VanDerWaalsContact CG-CB 3.45Å; F87-P310 HydrophobicContact CG-CG 4.21Å; F87-P310 HydrophobicContact CZ-CB 4.16Å; F87-P310 HydrophobicContact CZ-CG 3.83Å; T89-P310 VanDerWaalsContact CB-O 3.25Å; T89-P310 WeakPolarHBondContact CB-O 3.19Å; T89-P310 WeakPolarHBondContact CG2-O 3.42Å; T89-P310 PolarHBondContact OG1-O 2.92Å; T207-P310 HydrophobicContact CG2-CG 3.93Å
311	T	72.8	Confident	69	Low	16 Å²	16	82 Å²	82	10%	0.098	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-8	179.4	49.3	0	0	0	0	114.9	E88 T89 F217 N309	E88-T311 HydrophobicContact CB-CG2 4.28Å; E88-T311 HydrophobicContact CG-CG2 4.3Å; T89-T311 WeakPolarHBondContact CG2-O 3.27Å; F217-T311 HydrophobicContact CD2-CG2 3.98Å; F217-T311 HydrophobicContact CE2-CG2 3.44Å; F217-T311 VanDerWaalsContact CE2-CG2 3.44Å; F217-T311 WeakPolarHBondContact CE2-OG1 3.41Å; F217-T311 HydrophobicContact CZ-CG2 3.8Å; N309-T311 PolarHBondContact O-N 3.01Å
312	E	72	Confident	70.1	Confident	63 Å²	63	76.9 Å²	76.9	29%	0.294	42%	0.415	S	S	.	.			trans	-95.9	134.8	-175.5	-78.5	-58	142.3	0	0	114	P210 Y211 L308 N309	P210-E312 WeakPolarHBondContact O-CG 3.36Å; Y211-E312 WeakPolarHBondContact O-CG 3.32Å; L308-E312 HydrophobicContact CB-CB 4.21Å; L308-E312 HydrophobicContact CD1-CB 4.42Å; N309-E312 HydrophobicContact CB-CB 4.35Å; N309-E312 HydrophobicContact CB-CG 4.04Å; N309-E312 PolarHBondContact O-N 3.34Å
313	V	63	Low	71.5	Confident	118 Å²	118	73.8 Å²	73.8	72%	0.715	41%	0.409	S	S	*	.			trans	-115	-22.9	-169.8	-168.8	0	0	0	0	112.9	T89	T89-V313 HydrophobicContact CG2-CG2 3.68Å
314	E	62.2	Low	72.9	Confident	146 Å²	146	74.8 Å²	74.8	68%	0.682	41%	0.408	S	S	*	.			trans	-118.4	142.7	-167.7	-64.7	-169.2	174.7	0	0	115.1
315	E	65.4	Low	74.6	Confident	117 Å²	117	68.7 Å²	68.7	55%	0.547	37%	0.37	S	S	.	.			trans	-89.3	107.8	162.4	-72	-179.3	-172.7	0	0	109.2	K296	K296-E315 HydrophobicContact CD-CG 3.99Å; K296-E315 WeakPolarHBondContact CD-OE1 3.47Å; K296-E315 WeakPolarHBondContact CE-OE1 3.43Å; K296-E315 VanDerWaalsContact NZ-CG 3.32Å; K296-E315 IonicContact NZ-OE1 2.99Å; K296-E315 PolarHBondContact NZ-OE1 3.2Å
316	T	72.9	Confident	76.1	Confident	26 Å²	26	60.6 Å²	60.6	16%	0.16	34%	0.341	C	S	.	.			trans	-78.8	140.6	177.5	49	0	0	0	0	112.6	R289 V320 N321	R289-T316 PolarHBondContact NE-OG1 3Å; T316-V320 HydrophobicContact CG2-CG1 4.2Å; T316-N321 WeakPolarHBondContact CB-OD1 3.45Å; T316-N321 PolarHBondContact O-ND2 2.98Å; T316-N321 PolarHBondContact OG1-ND2 3.22Å; T316-N321 PolarHBondContact OG1-OD1 3.4Å
317	S	82	Confident	77.5	Confident	64 Å²	64	58.8 Å²	58.8	45%	0.448	33%	0.327	S	S	.	.			trans	-65.5	156.7	178.6	76.3	0	0	0	0	112.5	A319 V320 N321	S317-A319 VanDerWaalsContact C-N 3.29Å; S317-A319 PolarHBondContact O-N 3.48Å; S317-V320 PolarHBondContact O-N 2.98Å; S317-V320 WeakPolarHBondContact OG-CG2 3.39Å; S317-V320 PolarHBondContact OG-N 2.9Å; S317-N321 PolarHBondContact O-N 3.42Å; S317-N321 PolarHBondContact O-ND2 2.97Å
318	H	83.4	Confident	78.8	Confident	103 Å²	103	55.1 Å²	55.1	48%	0.477	32%	0.315	S	S	.	.	H	α-helix	trans	-53.6	-44.8	175.7	177.3	65.9	0	0	0	112.5	V320 N321 C322 T462	H318-V320 VanDerWaalsContact C-N 3.34Å; H318-V320 PolarHBondContact O-N 3.24Å; H318-N321 PolarHBondContact O-N 3.34Å; H318-C322 PolarHBondContact CE1-SG 3.29Å; H318-C322 PolarHBondContact O-N 3.47Å; H318-C322 PolarHBondContact O-SG 3.41Å; H318-C322 VanDerWaalsContact O-SG 3.37Å; H318-T462 PolarHBondContact NE2-OG1 3.35Å
319	A	84.2	Confident	79.7	Confident	64 Å²	64	54 Å²	54	53%	0.529	31%	0.31	S	S	.	.	H	α-helix	trans	-60.3	-43.5	179.7	0	0	0	0	0	112.2	S317 C322 C323	S317-A319 VanDerWaalsContact C-N 3.29Å; S317-A319 PolarHBondContact O-N 3.48Å; A319-C322 PolarHBondContact O-N 3Å; A319-C323 PolarHBondContact O-N 2.84Å; A319-C323 PolarHBondContact O-SG 2.94Å; A319-C323 VanDerWaalsContact O-SG 3.38Å
320	V	86	Confident	80.6	Confident	59 Å²	59	55.2 Å²	55.2	36%	0.358	32%	0.319	S	S	.	.	H	α-helix	trans	-61.9	-45.7	176.4	168.9	0	0	0	0	110.6	T316 S317 H318 C322 C323 Y324	T316-V320 HydrophobicContact CG2-CG1 4.2Å; S317-V320 PolarHBondContact O-N 2.98Å; S317-V320 WeakPolarHBondContact OG-CG2 3.39Å; S317-V320 PolarHBondContact OG-N 2.9Å; H318-V320 VanDerWaalsContact C-N 3.34Å; H318-V320 PolarHBondContact O-N 3.24Å; V320-C322 VanDerWaalsContact C-N 3.32Å; V320-C322 PolarHBondContact O-N 2.99Å; V320-C323 WeakPolarHBondContact O-CB 3.21Å; V320-C323 PolarHBondContact O-N 3.3Å; V320-C323 VanDerWaalsContact O-N 3.12Å; V320-Y324 HydrophobicContact CG1-CD2 3.82Å; V320-Y324 HydrophobicContact CG1-CE2 3.46Å; V320-Y324 VanDerWaalsContact CG1-CE2 3.46Å; V320-Y324 WeakPolarHBondContact O-CD2 3.38Å; V320-Y324 PolarHBondContact O-N 2.95Å; V320-Y324 VanDerWaalsContact O-N 3.08Å
321	N	86.2	Confident	81.3	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.011	32%	0.323	C	S	.	.	H	α-helix	trans	-63.7	-36.2	178.3	-65.1	-28.7	0	0	0	112.6	R289 M290 C293 T316 S317 H318 Y324 L325	R289-N321 PolarHBondContact NE-OD1 3.15Å; M290-N321 HydrophobicContact CB-CB 4.36Å; M290-N321 HydrophobicContact CG-CB 4.31Å; C293-N321 VanDerWaalsContact CB-ND2 3.3Å; C293-N321 WeakPolarHBondContact CB-ND2 3.37Å; T316-N321 WeakPolarHBondContact CB-OD1 3.45Å; T316-N321 PolarHBondContact O-ND2 2.98Å; T316-N321 PolarHBondContact OG1-ND2 3.22Å; T316-N321 PolarHBondContact OG1-OD1 3.4Å; S317-N321 PolarHBondContact O-N 3.42Å; S317-N321 PolarHBondContact O-ND2 2.97Å; H318-N321 PolarHBondContact O-N 3.34Å; N321-Y324 PolarHBondContact O-N 3.39Å; N321-L325 PolarHBondContact O-N 2.93Å
322	C	86.2	Confident	82	Confident	24 Å²	24	57.7 Å²	57.7	16%	0.162	33%	0.332	C	S	.	.	H	α-helix	trans	-65.2	-36.9	172.9	-70.1	0	0	0	0	112.4	M290 H318 A319 V320 L325 N326	M290-C322 HydrophobicContact CE-CB 4.43Å; H318-C322 PolarHBondContact CE1-SG 3.29Å; H318-C322 PolarHBondContact O-N 3.47Å; H318-C322 PolarHBondContact O-SG 3.41Å; H318-C322 VanDerWaalsContact O-SG 3.37Å; A319-C322 PolarHBondContact O-N 3Å; V320-C322 VanDerWaalsContact C-N 3.32Å; V320-C322 PolarHBondContact O-N 2.99Å; C322-L325 PolarHBondContact O-N 2.8Å; C322-N326 WeakPolarHBondContact O-CB 3.33Å; C322-N326 PolarHBondContact O-N 3.15Å; C322-N326 PolarHBondContact O-ND2 3.34Å
323	C	87.6	Confident	82.6	Confident	87 Å²	87	60.5 Å²	60.5	59%	0.588	34%	0.343	S	S	*	.	H	α-helix	trans	-63	-44.3	173.6	-68.9	0	0	0	0	111.6	A319 V320 L325 N326 A327	A319-C323 PolarHBondContact O-N 2.84Å; A319-C323 PolarHBondContact O-SG 2.94Å; A319-C323 VanDerWaalsContact O-SG 3.38Å; V320-C323 WeakPolarHBondContact O-CB 3.21Å; V320-C323 PolarHBondContact O-N 3.3Å; V320-C323 VanDerWaalsContact O-N 3.12Å; C323-L325 PolarHBondContact O-N 2.89Å; C323-N326 PolarHBondContact O-N 3.35Å; C323-A327 WeakPolarHBondContact O-CB 3.16Å; C323-A327 PolarHBondContact O-N 2.96Å
324	Y	86.9	Confident	83.6	Confident	91 Å²	91	58.4 Å²	58.4	36%	0.357	33%	0.328	S	S	.	.	H	α-helix	trans	-59.2	-47	175.6	-79.3	-70.2	0	0	0	112.4	E213 R289 V320 N321 N326 A327 A328	E213-Y324 WeakPolarHBondContact OE1-CE1 3.04Å; E213-Y324 PolarHBondContact OE1-OH 2.89Å; R289-Y324 VanDerWaalsContact CZ-CE2 3.45Å; V320-Y324 HydrophobicContact CG1-CD2 3.82Å; V320-Y324 HydrophobicContact CG1-CE2 3.46Å; V320-Y324 VanDerWaalsContact CG1-CE2 3.46Å; V320-Y324 WeakPolarHBondContact O-CD2 3.38Å; V320-Y324 PolarHBondContact O-N 2.95Å; V320-Y324 VanDerWaalsContact O-N 3.08Å; N321-Y324 PolarHBondContact O-N 3.39Å; Y324-N326 PolarHBondContact O-N 2.94Å; Y324-A327 PolarHBondContact O-N 2.84Å; Y324-A328 WeakPolarHBondContact O-CB 3.48Å; Y324-A328 PolarHBondContact O-N 3.49Å
325	L	88.6	Confident	84.7	Confident	6 Å²	6	55 Å²	55	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-46.8	178	-179.9	60.3	0	0	0	111.7	V283 A286 I287 M290 N321 C322 C323 A327 A328 V329 I460 L465	V283-L325 HydrophobicContact CG1-CD1 4.35Å; A286-L325 HydrophobicContact CB-CB 4.18Å; A286-L325 HydrophobicContact CB-CD1 3.98Å; I287-L325 HydrophobicContact CD1-CD1 4.46Å; I287-L325 HydrophobicContact CG1-CD1 3.61Å; I287-L325 HydrophobicContact CG1-CD2 4.48Å; M290-L325 HydrophobicContact CE-CB 3.65Å; M290-L325 HydrophobicContact CE-CD2 3.44Å; M290-L325 VanDerWaalsContact CE-CD2 3.44Å; M290-L325 HydrophobicContact CE-CG 4.18Å; M290-L325 HydrophobicContact SD-CD2 4.43Å; N321-L325 PolarHBondContact O-N 2.93Å; C322-L325 PolarHBondContact O-N 2.8Å; C323-L325 PolarHBondContact O-N 2.89Å; L325-A327 VanDerWaalsContact C-N 3.33Å; L325-A327 PolarHBondContact O-N 2.74Å; L325-A328 PolarHBondContact O-N 3.42Å; L325-V329 HydrophobicContact CD1-CG2 3.96Å; L325-V329 HydrophobicContact CG-CG2 4.33Å; L325-V329 WeakPolarHBondContact O-CB 3.1Å; L325-V329 WeakPolarHBondContact O-CG2 2.94Å; L325-V329 PolarHBondContact O-N 3.42Å; L325-I460 HydrophobicContact CD2-CG2 4.35Å; L325-L465 HydrophobicContact CD2-CD2 4.1Å
326	N	88.3	Confident	85.4	Confident	25 Å²	25	51.6 Å²	51.6	13%	0.134	30%	0.298	C	S	.	.	H	α-helix	trans	-62.1	-40.7	178.7	-83.5	-63.4	0	0	0	112.4	C322 C323 Y324 S330 F459 I460	C322-N326 WeakPolarHBondContact O-CB 3.33Å; C322-N326 PolarHBondContact O-N 3.15Å; C322-N326 PolarHBondContact O-ND2 3.34Å; C323-N326 PolarHBondContact O-N 3.35Å; Y324-N326 PolarHBondContact O-N 2.94Å; N326-S330 VanDerWaalsContact O-CB 3.26Å; N326-S330 WeakPolarHBondContact O-CB 3.5Å; N326-S330 PolarHBondContact O-N 3.32Å; N326-S330 PolarHBondContact O-OG 2.94Å; N326-F459 WeakPolarHBondContact OD1-CA 3.24Å; N326-I460 PolarHBondContact ND2-O 2.83Å; N326-I460 PolarHBondContact OD1-N 3.25Å; N326-I460 PolarHBondContact OD1-O 3.2Å
327	A	88.4	Confident	85.8	Confident	60 Å²	60	56.9 Å²	56.9	50%	0.496	32%	0.315	S	S	.	.	H	α-helix	trans	-64.1	-46.1	176.1	0	0	0	0	0	111.6	C323 Y324 L325 V329 S330 A331	C323-A327 WeakPolarHBondContact O-CB 3.16Å; C323-A327 PolarHBondContact O-N 2.96Å; Y324-A327 PolarHBondContact O-N 2.84Å; L325-A327 VanDerWaalsContact C-N 3.33Å; L325-A327 PolarHBondContact O-N 2.74Å; A327-V329 PolarHBondContact O-N 2.95Å; A327-S330 PolarHBondContact O-N 2.81Å; A327-A331 WeakPolarHBondContact O-CB 3.13Å; A327-A331 PolarHBondContact O-N 3.34Å
328	A	88.6	Confident	85.5	Confident	10 Å²	10	57 Å²	57	8%	0.083	31%	0.313	C	S	.	.	H	α-helix	trans	-61.5	-45.6	178.7	0	0	0	0	0	112	R282 V283 A286 Y324 L325 A331 F332	R282-A328 HydrophobicContact CB-CB 4.14Å; V283-A328 HydrophobicContact CG2-CB 3.98Å; A286-A328 HydrophobicContact CB-CB 4.24Å; Y324-A328 WeakPolarHBondContact O-CB 3.48Å; Y324-A328 PolarHBondContact O-N 3.49Å; L325-A328 PolarHBondContact O-N 3.42Å; A328-A331 PolarHBondContact O-N 2.94Å; A328-F332 PolarHBondContact O-N 3.08Å
329	V	88.8	Confident	84.9	Confident	10 Å²	10	54.4 Å²	54.4	6%	0.061	31%	0.307	C	S	.	.	H	α-helix	trans	-65.1	-44.3	178.4	169.2	0	0	0	0	111.4	V283 L325 A327 A331 F332 F333 I460	V283-V329 HydrophobicContact CG1-CG2 4.08Å; V283-V329 HydrophobicContact CG2-CG2 4.09Å; L325-V329 HydrophobicContact CD1-CG2 3.96Å; L325-V329 HydrophobicContact CG-CG2 4.33Å; L325-V329 WeakPolarHBondContact O-CB 3.1Å; L325-V329 WeakPolarHBondContact O-CG2 2.94Å; L325-V329 PolarHBondContact O-N 3.42Å; A327-V329 PolarHBondContact O-N 2.95Å; V329-A331 VanDerWaalsContact C-N 3.32Å; V329-A331 PolarHBondContact O-N 3.27Å; V329-F332 WeakPolarHBondContact O-CB 3.47Å; V329-F332 PolarHBondContact O-N 3.36Å; V329-F333 HydrophobicContact CG1-CD2 3.65Å; V329-F333 HydrophobicContact CG1-CE2 3.67Å; V329-F333 WeakPolarHBondContact O-CD2 3.44Å; V329-F333 PolarHBondContact O-N 2.86Å; V329-I460 HydrophobicContact CB-CD1 4.12Å; V329-I460 HydrophobicContact CG1-CD1 3.64Å; V329-I460 HydrophobicContact CG1-CG1 3.97Å; V329-I460 HydrophobicContact CG2-CD1 3.6Å; V329-I460 HydrophobicContact CG2-CG1 4.39Å
330	S	87.1	Confident	84	Confident	31 Å²	31	57.4 Å²	57.4	22%	0.217	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-46.5	177.8	-61.5	0	0	0	0	110.5	N326 A327 F332 F333 D334	N326-S330 VanDerWaalsContact O-CB 3.26Å; N326-S330 WeakPolarHBondContact O-CB 3.5Å; N326-S330 PolarHBondContact O-N 3.32Å; N326-S330 PolarHBondContact O-OG 2.94Å; A327-S330 PolarHBondContact O-N 2.81Å; S330-F332 VanDerWaalsContact C-N 3.32Å; S330-F332 PolarHBondContact O-N 3.12Å; S330-F333 PolarHBondContact O-N 3.06Å; S330-D334 WeakPolarHBondContact O-CB 2.97Å; S330-D334 PolarHBondContact O-N 3.47Å
331	A	86.6	Confident	82.9	Confident	42 Å²	42	57.8 Å²	57.8	35%	0.347	31%	0.31	S	S	.	.	H	α-helix	trans	-59.6	-41.4	176.4	0	0	0	0	0	112.3	A327 A328 V329 R335	A327-A331 WeakPolarHBondContact O-CB 3.13Å; A327-A331 PolarHBondContact O-N 3.34Å; A328-A331 PolarHBondContact O-N 2.94Å; V329-A331 VanDerWaalsContact C-N 3.32Å; V329-A331 PolarHBondContact O-N 3.27Å; A331-R335 WeakPolarHBondContact O-CB 3.39Å; A331-R335 PolarHBondContact O-N 3.5Å; A331-R335 VanDerWaalsContact O-N 3.08Å
332	F	87.3	Confident	81.5	Confident	63 Å²	63	62.2 Å²	62.2	28%	0.276	34%	0.337	S	S	.	.	H	α-helix	trans	-60.4	-49.7	175.8	-179	-91.4	0	0	0	112.1	H279 L280 V283 A328 V329 S330 R335 C336	H279-F332 HydrophobicContact CB-CB 4.3Å; H279-F332 HydrophobicContact CB-CD2 3.72Å; H279-F332 HydrophobicContact CB-CG 4.46Å; L280-F332 HydrophobicContact CB-CD2 4.4Å; L280-F332 HydrophobicContact CB-CE2 4.02Å; L280-F332 HydrophobicContact CD1-CE2 4.33Å; V283-F332 HydrophobicContact CG2-CB 4.17Å; A328-F332 PolarHBondContact O-N 3.08Å; V329-F332 WeakPolarHBondContact O-CB 3.47Å; V329-F332 PolarHBondContact O-N 3.36Å; S330-F332 VanDerWaalsContact C-N 3.32Å; S330-F332 PolarHBondContact O-N 3.12Å; F332-R335 WeakPolarHBondContact O-CB 3.36Å; F332-R335 PolarHBondContact O-N 3.43Å; F332-C336 PolarHBondContact O-N 2.99Å; F332-C336 PolarHBondContact O-SG 3.48Å; F332-C336 VanDerWaalsContact O-SG 3.34Å
333	F	85.1	Confident	79.8	Confident	122 Å²	122	67.7 Å²	67.7	54%	0.535	36%	0.36	S	S	.	.	H	α-helix	trans	-72.8	-35.1	-178.1	-77.8	-64.5	0	0	0	113.9	V329 S330 R335 C336 R337	V329-F333 HydrophobicContact CG1-CD2 3.65Å; V329-F333 HydrophobicContact CG1-CE2 3.67Å; V329-F333 WeakPolarHBondContact O-CD2 3.44Å; V329-F333 PolarHBondContact O-N 2.86Å; S330-F333 PolarHBondContact O-N 3.06Å; F333-R335 PolarHBondContact O-N 3.34Å; F333-C336 PolarHBondContact O-N 3.5Å; F333-R337 WeakPolarHBondContact O-CB 3.46Å; F333-R337 PolarHBondContact O-N 3.05Å
334	D	84.8	Confident	78.3	Confident	75 Å²	75	69.8 Å²	69.8	40%	0.401	36%	0.364	S	S	.	.	H	α-helix	trans	-62.7	-36.6	173	-76.5	-24.6	0	0	0	110.7	S330 R337 T338	S330-D334 WeakPolarHBondContact O-CB 2.97Å; S330-D334 PolarHBondContact O-N 3.47Å; D334-R337 PolarHBondContact O-N 3.49Å; D334-R337 IonicContact OD1-CZ 3.91Å; D334-R337 IonicContact OD1-NH1 2.7Å; D334-R337 PolarHBondContact OD1-NH1 3.4Å; D334-R337 IonicContact OD1-NH2 2.86Å; D334-T338 WeakPolarHBondContact O-CG2 3.3Å; D334-T338 PolarHBondContact O-N 2.73Å; D334-T338 PolarHBondContact O-OG1 3.02Å
335	R	83.7	Confident	76.1	Confident	74 Å²	74	72.7 Å²	72.7	28%	0.279	38%	0.381	S	S	.	.	H	α-helix	trans	-65	-48.3	171.3	-176.7	64.5	-170.9	139.2	-9.3	112.4	E276 A331 F332 F333 R337 T338 S339	E276-R335 IonicContact OE1-CZ 3.53Å; E276-R335 IonicContact OE1-NE 2.63Å; E276-R335 PolarHBondContact OE1-NE 2.81Å; E276-R335 IonicContact OE1-NH2 3.4Å; E276-R335 PolarHBondContact OE1-NH2 3.47Å; E276-R335 IonicContact OE2-CZ 3.65Å; E276-R335 IonicContact OE2-NE 3.56Å; E276-R335 PolarHBondContact OE2-NE 3.1Å; E276-R335 IonicContact OE2-NH2 3.69Å; E276-R335 PolarHBondContact OE2-NH2 3.37Å; A331-R335 WeakPolarHBondContact O-CB 3.39Å; A331-R335 PolarHBondContact O-N 3.5Å; A331-R335 VanDerWaalsContact O-N 3.08Å; F332-R335 WeakPolarHBondContact O-CB 3.36Å; F332-R335 PolarHBondContact O-N 3.43Å; F333-R335 PolarHBondContact O-N 3.34Å; R335-R337 PolarHBondContact O-N 2.92Å; R335-T338 WeakPolarHBondContact CA-OG1 3.44Å; R335-T338 PolarHBondContact NH1-OG1 2.9Å; R335-T338 PolarHBondContact O-N 3.49Å; R335-T338 VanDerWaalsContact O-N 3.15Å; R335-T338 PolarHBondContact O-OG1 3.13Å; R335-S339 PolarHBondContact O-N 3.34Å
336	C	80.1	Confident	73.5	Confident	45 Å²	45	75 Å²	75	30%	0.304	40%	0.401	S	S	.	.	H	α-helix	trans	-56.6	-35.4	176.2	-66.1	0	0	0	0	112.3	F332 F333 K340	F332-C336 PolarHBondContact O-N 2.99Å; F332-C336 PolarHBondContact O-SG 3.48Å; F332-C336 VanDerWaalsContact O-SG 3.34Å; F333-C336 PolarHBondContact O-N 3.5Å; C336-K340 WeakPolarHBondContact O-CG 3.4Å; C336-K340 PolarHBondContact O-N 2.9Å
337	R	81.9	Confident	71.1	Confident	137 Å²	137	79.8 Å²	79.8	52%	0.517	43%	0.433	S	S	.	.	H	α-helix	trans	-69.7	-46.1	177.3	-164.4	-174	-61.2	129.2	5.1	111.5	F333 D334 R335 K340 V341	F333-R337 WeakPolarHBondContact O-CB 3.46Å; F333-R337 PolarHBondContact O-N 3.05Å; D334-R337 PolarHBondContact O-N 3.49Å; D334-R337 IonicContact OD1-CZ 3.91Å; D334-R337 IonicContact OD1-NH1 2.7Å; D334-R337 PolarHBondContact OD1-NH1 3.4Å; D334-R337 IonicContact OD1-NH2 2.86Å; R335-R337 PolarHBondContact O-N 2.92Å; R337-K340 PolarHBondContact O-N 2.93Å; R337-V341 WeakPolarHBondContact O-CG2 3.37Å; R337-V341 PolarHBondContact O-N 3.5Å; R337-V341 VanDerWaalsContact O-N 3.16Å
338	T	75.4	Confident	68.8	Low	68 Å²	68	87.6 Å²	87.6	42%	0.417	45%	0.45	S	S	.	.	H	α-helix	trans	-64.7	-40.7	178.8	52.3	0	0	0	0	112.2	D334 R335 K340 V341 V342	D334-T338 WeakPolarHBondContact O-CG2 3.3Å; D334-T338 PolarHBondContact O-N 2.73Å; D334-T338 PolarHBondContact O-OG1 3.02Å; R335-T338 WeakPolarHBondContact CA-OG1 3.44Å; R335-T338 PolarHBondContact NH1-OG1 2.9Å; R335-T338 PolarHBondContact O-N 3.49Å; R335-T338 VanDerWaalsContact O-N 3.15Å; R335-T338 PolarHBondContact O-OG1 3.13Å; T338-K340 PolarHBondContact O-N 3.46Å; T338-V341 PolarHBondContact O-N 3.38Å; T338-V342 WeakPolarHBondContact O-CG2 3.48Å; T338-V342 PolarHBondContact O-N 2.69Å
339	S	71.9	Confident	66.2	Low	48 Å²	48	93.8 Å²	93.8	34%	0.336	49%	0.487	S	S	.	.	H	α-helix	trans	-61.6	-44	177.8	-156.2	0	0	0	0	112	R335 V341 V342 E343	R335-S339 PolarHBondContact O-N 3.34Å; S339-V341 VanDerWaalsContact C-N 3.33Å; S339-V341 PolarHBondContact O-N 3.13Å; S339-V342 PolarHBondContact O-N 3.1Å; S339-E343 PolarHBondContact O-N 3.29Å; S339-E343 VanDerWaalsContact O-N 3.09Å
340	K	64.6	Low	63.8	Low	127 Å²	127	101.4 Å²	101.4	55%	0.552	53%	0.527	S	S	*	.	H	α-helix	trans	-62.1	-35.4	174.4	-73.6	175.9	-178.8	178.3	0	113.5	C336 R337 T338 I344	C336-K340 WeakPolarHBondContact O-CG 3.4Å; C336-K340 PolarHBondContact O-N 2.9Å; R337-K340 PolarHBondContact O-N 2.93Å; T338-K340 PolarHBondContact O-N 3.46Å; K340-I344 VanDerWaalsContact O-CD1 3.29Å; K340-I344 WeakPolarHBondContact O-CD1 3.3Å; K340-I344 WeakPolarHBondContact O-CG1 3.5Å; K340-I344 PolarHBondContact O-N 3.38Å
341	V	61.9	Low	61.4	Low	67 Å²	67	103.2 Å²	103.2	41%	0.406	55%	0.551	S	S	.	*	H	α-helix	trans	-70.5	-37.9	177.9	172.3	0	0	0	0	111.3	R337 T338 S339 I344 Q345	R337-V341 WeakPolarHBondContact O-CG2 3.37Å; R337-V341 PolarHBondContact O-N 3.5Å; R337-V341 VanDerWaalsContact O-N 3.16Å; T338-V341 PolarHBondContact O-N 3.38Å; S339-V341 VanDerWaalsContact C-N 3.33Å; S339-V341 PolarHBondContact O-N 3.13Å; V341-I344 PolarHBondContact O-N 3.11Å; V341-Q345 WeakPolarHBondContact O-CG 3.41Å; V341-Q345 PolarHBondContact O-N 3.26Å
342	V	58.3	Low	58.8	Low	94 Å²	94	110.5 Å²	110.5	57%	0.57	58%	0.578	S	S	*	*	H	α-helix	trans	-66.2	-41.3	176.5	174.5	0	0	0	0	111.2	T338 S339 I344 Q345 A346	T338-V342 WeakPolarHBondContact O-CG2 3.48Å; T338-V342 PolarHBondContact O-N 2.69Å; S339-V342 PolarHBondContact O-N 3.1Å; V342-I344 VanDerWaalsContact C-N 3.3Å; V342-I344 PolarHBondContact O-N 3.42Å; V342-Q345 PolarHBondContact O-N 3.08Å; V342-A346 PolarHBondContact O-N 2.7Å
343	E	50.1	Low	56.2	Low	140 Å²	140	119.5 Å²	119.5	65%	0.654	61%	0.61	S	S	*	*	H	α-helix	trans	-63	-33.7	174	-75.8	-176.9	166.4	0	0	113.4	S339 Q345	S339-E343 PolarHBondContact O-N 3.29Å; S339-E343 VanDerWaalsContact O-N 3.09Å; E343-Q345 VanDerWaalsContact C-N 3.3Å
344	I	55.5	Low	53.6	Low	131 Å²	131	122.4 Å²	122.4	67%	0.672	63%	0.627	S	S	*	*	H	α-helix	trans	-72.7	-25.6	177.4	-68.6	164.8	0	0	0	111.6	K340 V341 V342	K340-I344 VanDerWaalsContact O-CD1 3.29Å; K340-I344 WeakPolarHBondContact O-CD1 3.3Å; K340-I344 WeakPolarHBondContact O-CG1 3.5Å; K340-I344 PolarHBondContact O-N 3.38Å; V341-I344 PolarHBondContact O-N 3.11Å; V342-I344 VanDerWaalsContact C-N 3.3Å; V342-I344 PolarHBondContact O-N 3.42Å
345	Q	40.8	Very low	51	Low	151 Å²	151	127.7 Å²	127.7	71%	0.706	65%	0.647	S	S	*	*	H	α-helix	trans	-94.1	-11.3	-177.8	-69.9	178.8	7.8	0	0	114.3	V341 V342 E343	V341-Q345 WeakPolarHBondContact O-CG 3.41Å; V341-Q345 PolarHBondContact O-N 3.26Å; V342-Q345 PolarHBondContact O-N 3.08Å; E343-Q345 VanDerWaalsContact C-N 3.3Å
346	A	34.3	Very low	48.6	Very low	55 Å²	55	134 Å²	134	46%	0.455	68%	0.676	S	S	.	*	S	Bend	trans	-70.8	137.8	174.2	0	0	0	0	0	111.3	V342 R348	V342-A346 PolarHBondContact O-N 2.7Å; A346-R348 PolarHBondContact O-N 3.33Å; A346-R348 VanDerWaalsContact O-N 3.11Å
347	P	37.5	Very low	46.1	Very low	125 Å²	125	140.4 Å²	140.4	81%	0.812	70%	0.702	S	S	*	*			trans	-65.2	116.9	179.8	-12.6	26.1	0	0	0	109.7	T349	P347-T349 PolarHBondContact O-N 3.07Å
348	R	40.3	Very low	43.5	Very low	224 Å²	224	142.5 Å²	142.5	85%	0.845	72%	0.717	S	S	*	*			trans	-66.4	106.8	171.3	-66	-171.1	177.7	-167.7	-2.4	108.4	A346	A346-R348 PolarHBondContact O-N 3.33Å; A346-R348 VanDerWaalsContact O-N 3.11Å
349	T	35.1	Very low	41.4	Very low	140 Å²	140	146.7 Å²	146.7	86%	0.859	74%	0.737	S	S	*	*			trans	-82.2	123.9	159.3	28	0	0	0	0	107	P347	P347-T349 PolarHBondContact O-N 3.07Å
350	D	36.7	Very low	39.2	Very low	170 Å²	170	151.2 Å²	151.2	91%	0.909	76%	0.757	S	S	*	*			trans	-55.7	145.4	-166.9	-85.6	-42.1	0	0	0	114.1
351	G	37	Very low	37.7	Very low	70 Å²	70	151.1 Å²	151.1	72%	0.722	77%	0.766	S	S	*	*			trans	150.5	-5.4	132.1	0	0	0	0	0	121.5
352	E	31.8	Very low	36	Very low	194 Å²	194	155.6 Å²	155.6	91%	0.907	78%	0.777	S	S	*	*			trans	-139.3	137	174.7	-70.8	-166.2	156.8	0	0	114.5	M354	E352-M354 PolarHBondContact O-N 3.37Å; E352-M354 VanDerWaalsContact O-N 3.11Å
353	R	33.5	Very low	34.6	Very low	253 Å²	253	156 Å²	156	96%	0.955	78%	0.784	S	S	*	*			trans	-75.8	94.6	-167.7	-147.6	-179.3	-161.9	-173.2	4.6	109.5	K355	R353-K355 PolarHBondContact O-N 3.08Å
354	M	30.1	Very low	33.6	Very low	182 Å²	182	158.8 Å²	158.8	90%	0.897	80%	0.797	S	S	*	*			trans	-64.2	120.4	173.7	-75.7	-170.8	79.9	0	0	110.9	E352	E352-M354 PolarHBondContact O-N 3.37Å; E352-M354 VanDerWaalsContact O-N 3.11Å
355	K	30.9	Very low	32.4	Very low	187 Å²	187	161.6 Å²	161.6	81%	0.813	81%	0.81	S	S	*	*			trans	-64.8	137.4	160.5	-81	178.9	176.8	175.4	0	108.2	R353 E357	R353-K355 PolarHBondContact O-N 3.08Å; K355-E357 PolarHBondContact O-N 2.65Å
356	K	32.6	Very low	31.7	Very low	206 Å²	206	163.5 Å²	163.5	90%	0.896	82%	0.818	S	S	*	*			trans	-70.3	96.5	174.3	-157.8	-179.2	-173.3	-172.8	0	107.5
357	E	28.3	Very low	31.7	Very low	179 Å²	179	167.9 Å²	167.9	84%	0.836	84%	0.839	S	S	*	*			trans	-80.4	115.5	170.6	-77.8	-179.5	165.9	0	0	108.7	K355	K355-E357 PolarHBondContact O-N 2.65Å
358	E	27.9	Very low	31.2	Very low	182 Å²	182	164.9 Å²	164.9	85%	0.85	83%	0.831	S	S	*	*			trans	-62.9	137.1	163.7	-72.6	175.1	154.7	0	0	108.4	N360	E358-N360 PolarHBondContact O-N 3.33Å
359	L	31.4	Very low	30.7	Very low	156 Å²	156	163.4 Å²	163.4	82%	0.817	83%	0.834	S	S	*	*			trans	-56.9	99.3	176	-93.2	95.5	0	0	0	109.5	V361	L359-V361 PolarHBondContact O-N 3.39Å
360	N	24.2	Very low	30.3	Very low	143 Å²	143	163.2 Å²	163.2	77%	0.765	83%	0.833	S	S	*	*			trans	-93	85.4	176.1	-146.7	4.5	0	0	0	108	E358 Y362	E358-N360 PolarHBondContact O-N 3.33Å; N360-Y362 PolarHBondContact O-N 3.27Å
361	V	32.9	Very low	29.8	Very low	124 Å²	124	158.7 Å²	158.7	75%	0.752	83%	0.826	S	S	*	*			trans	-78.1	64.5	174.1	-171.1	0	0	0	0	108.7	L359	L359-V361 PolarHBondContact O-N 3.39Å
362	Y	27.6	Very low	29.3	Very low	161 Å²	161	160.6 Å²	160.6	63%	0.631	83%	0.828	S	S	*	*			trans	-157.1	89.7	168.6	-102	-78.2	0	0	0	108.4	N360	N360-Y362 PolarHBondContact O-N 3.27Å
363	S	28.6	Very low	29.2	Very low	102 Å²	102	160.3 Å²	160.3	71%	0.713	83%	0.827	S	S	*	*			trans	171.9	82.1	148.2	43.5	0	0	0	0	111
364	H	29.6	Very low	28.9	Very low	199 Å²	199	155.3 Å²	155.3	92%	0.921	82%	0.819	S	S	*	*			trans	-147.3	72.7	148.7	-88.1	-57.8	0	0	0	109
365	M	29.8	Very low	28.7	Very low	191 Å²	191	155.3 Å²	155.3	94%	0.941	82%	0.822	S	S	*	*			trans	-151.7	79.1	156	-116.5	-165.6	166.5	0	0	107.9
366	E	25.7	Very low	28.5	Very low	190 Å²	190	151.9 Å²	151.9	89%	0.888	82%	0.817	S	S	*	*			trans	-133	117.5	157.7	-79.6	-165.9	159.8	0	0	109.1	G368	E366-G368 PolarHBondContact O-N 3.18Å; E366-G368 VanDerWaalsContact O-N 3.15Å
367	V	35	Very low	28.3	Very low	147 Å²	147	148.9 Å²	148.9	89%	0.891	82%	0.816	S	S	*	*			trans	-73.9	96	169.6	175.3	0	0	0	0	107.1	Q369	V367-Q369 PolarHBondContact O-N 3.31Å
368	G	25.7	Very low	28.1	Very low	63 Å²	63	143.9 Å²	143.9	65%	0.649	81%	0.813	S	S	*	*			trans	-82.5	98.4	170.7	0	0	0	0	0	110.9	E366 T370	E366-G368 PolarHBondContact O-N 3.18Å; E366-G368 VanDerWaalsContact O-N 3.15Å; G368-T370 PolarHBondContact O-N 3.04Å; G368-T370 VanDerWaalsContact O-N 3.11Å
369	Q	30.1	Very low	28.3	Very low	193 Å²	193	142.4 Å²	142.4	90%	0.902	82%	0.816	S	S	*	*			trans	-60.7	108.7	158.7	-82.3	-179.8	-12.8	0	0	108.6	V367	V367-Q369 PolarHBondContact O-N 3.31Å
370	T	27.2	Very low	28.7	Very low	136 Å²	136	138.4 Å²	138.4	83%	0.834	81%	0.813	S	S	*	*			trans	-113.1	116	162.9	39.6	0	0	0	0	108.3	G368 S372	G368-T370 PolarHBondContact O-N 3.04Å; G368-T370 VanDerWaalsContact O-N 3.11Å; T370-S372 PolarHBondContact O-N 3.37Å
371	G	25.5	Very low	29	Very low	75 Å²	75	141.5 Å²	141.5	77%	0.773	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-62.1	121	179.5	0	0	0	0	0	110.6	Q373	G371-Q373 PolarHBondContact O-N 3.42Å
372	S	27.7	Very low	29.2	Very low	109 Å²	109	141.1 Å²	141.1	76%	0.762	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-64.9	116.9	167.5	-174.7	0	0	0	0	108.6	T370 N374	T370-S372 PolarHBondContact O-N 3.37Å; S372-N374 PolarHBondContact O-N 2.93Å
373	Q	28.5	Very low	29.8	Very low	188 Å²	188	142.9 Å²	142.9	88%	0.879	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-75.4	116.4	166.8	-74	-169.7	-8.2	0	0	108.5	G371 L375	G371-Q373 PolarHBondContact O-N 3.42Å; Q373-L375 PolarHBondContact O-N 3.32Å
374	N	26.7	Very low	30.4	Very low	149 Å²	149	142.6 Å²	142.6	80%	0.797	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-54.5	121.2	172.4	-69.3	-43	0	0	0	111	S372	S372-N374 PolarHBondContact O-N 2.93Å
375	L	26.6	Very low	31.3	Very low	181 Å²	181	137.6 Å²	137.6	95%	0.948	83%	0.83	S	S	*	*			trans	-110.1	108.1	157.5	-142.1	80.3	0	0	0	108.2	Q373	Q373-L375 PolarHBondContact O-N 3.32Å
376	T	27.1	Very low	32.5	Very low	116 Å²	116	130 Å²	130	71%	0.712	80%	0.796	S	S	*	*			trans	-88.2	144.9	177.7	2	0	0	0	0	111.1
377	T	28.9	Very low	34.2	Very low	143 Å²	143	126.5 Å²	126.5	88%	0.877	79%	0.79	S	S	*	*			trans	74	125.7	153.5	47.2	0	0	0	0	120.2
378	G	23.6	Very low	35.6	Very low	74 Å²	74	122.7 Å²	122.7	76%	0.763	76%	0.761	S	S	*	*			trans	163	95	157	0	0	0	0	0	115.1
379	T	31.2	Very low	38.2	Very low	151 Å²	151	121.1 Å²	121.1	93%	0.926	75%	0.745	S	S	*	*			trans	-30.7	124.9	165.7	28.7	0	0	0	0	117
380	G	39.5	Very low	40.9	Very low	72 Å²	72	117.1 Å²	117.1	74%	0.742	74%	0.736	S	S	*	*			trans	55.7	106	144.6	0	0	0	0	0	120.1
381	K	31.3	Very low	44	Very low	208 Å²	208	112.5 Å²	112.5	90%	0.904	71%	0.706	S	S	*	*			trans	176	169.8	144.7	-108.9	176	-176.1	-178.1	0	113.1
382	P	36.5	Very low	47.4	Very low	115 Å²	115	109 Å²	109	75%	0.747	67%	0.67	S	S	*	*				-82.3	169	-107.4	28.4	-5.8	0	0	0	114.4	A384	P382-A384 PolarHBondContact O-N 3.21Å
383	E	41.4	Very low	50.6	Low	198 Å²	198	106.8 Å²	106.8	93%	0.925	65%	0.651	S	S	*	*			trans	-48.1	114.7	168	-77.9	175.4	149.6	0	0	110.1	A385	E383-A385 PolarHBondContact O-N 2.87Å
384	A	41.6	Very low	53.7	Low	96 Å²	96	101 Å²	101	79%	0.793	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-62	123.3	174.2	0	0	0	0	0	108.2	P382 S386	P382-A384 PolarHBondContact O-N 3.21Å; A384-S386 PolarHBondContact O-N 3.41Å
385	A	47.3	Very low	57	Low	95 Å²	95	94.3 Å²	94.3	79%	0.785	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-53.8	128.3	175.3	0	0	0	0	0	109.4	E383	E383-A385 PolarHBondContact O-N 2.87Å
386	S	55.9	Low	60	Low	30 Å²	30	89 Å²	89	21%	0.21	58%	0.577	C	S	.	*	P	Polyproline II helix	trans	-50.1	130.6	175.8	175.2	0	0	0	0	109.2	A384 F388 G389 L392	A384-S386 PolarHBondContact O-N 3.41Å; S386-F388 PolarHBondContact O-N 3.32Å; S386-G389 PolarHBondContact O-N 3.4Å; S386-G389 VanDerWaalsContact O-N 3.08Å; S386-L392 PolarHBondContact OG-O 3.39Å
387	P	60.5	Low	63	Low	117 Å²	117	88.5 Å²	88.5	76%	0.76	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-10.2	-178.8	22.6	-30.1	0	0	0	113.2
388	F	65.6	Low	65.5	Low	67 Å²	67	89.4 Å²	89.4	29%	0.294	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.5	9.8	-178.1	-59.4	-78	0	0	0	113.7	I36 L40 S386 L392	I36-F388 HydrophobicContact CD1-CD1 3.95Å; I36-F388 HydrophobicContact CD1-CE1 4.35Å; I36-F388 HydrophobicContact CG1-CD1 3.96Å; I36-F388 HydrophobicContact CG1-CE1 3.84Å; L40-F388 HydrophobicContact CD2-CE2 4.27Å; S386-F388 PolarHBondContact O-N 3.32Å; F388-L392 HydrophobicContact CB-CB 3.79Å; F388-L392 HydrophobicContact CB-CD2 3.44Å; F388-L392 VanDerWaalsContact CB-CD2 3.44Å; F388-L392 HydrophobicContact CB-CG 4.24Å; F388-L392 HydrophobicContact CD1-CD2 4.24Å; F388-L392 HydrophobicContact CD2-CD2 3.41Å; F388-L392 VanDerWaalsContact CD2-CD2 3.41Å; F388-L392 HydrophobicContact CE2-CD2 4.18Å; F388-L392 HydrophobicContact CG-CD2 3.44Å; F388-L392 VanDerWaalsContact CG-CD2 3.44Å
389	G	79.8	Confident	67.1	Low	31 Å²	31	90.6 Å²	90.6	32%	0.32	55%	0.551	S	S	.	*			trans	82	-171.7	179.6	0	0	0	0	0	114.2	S386 D391	S386-G389 PolarHBondContact O-N 3.4Å; S386-G389 VanDerWaalsContact O-N 3.08Å; G389-D391 VanDerWaalsContact C-N 3.3Å; G389-D391 PolarHBondContact O-N 2.79Å
390	P	86.4	Confident	68.1	Low	109 Å²	109	89.4 Å²	89.4	71%	0.708	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-19.1	-172.3	30.6	-35.6	0	0	0	113.9	L392 V393	P390-L392 VanDerWaalsContact C-N 3.34Å; P390-V393 WeakPolarHBondContact O-CG2 3.46Å
391	D	92.7	Very high	67.8	Low	39 Å²	39	94.2 Å²	94.2	21%	0.209	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.4	-175.4	-63	-70.1	0	0	0	114	P27 F28 F46 C47 N48 G389	P27-D391 HydrophobicContact CB-CB 3.51Å; P27-D391 HydrophobicContact CG-CB 3.6Å; P27-D391 VanDerWaalsContact CG-CG 3.4Å; F28-D391 HydrophobicContact CE2-CB 4.11Å; F28-D391 HydrophobicContact CZ-CB 4.36Å; F46-D391 WeakPolarHBondContact CA-O 3.37Å; C47-D391 PolarHBondContact N-O 3.38Å; N48-D391 PolarHBondContact ND2-OD1 2.99Å; G389-D391 VanDerWaalsContact C-N 3.3Å; G389-D391 PolarHBondContact O-N 2.79Å
392	L	95.7	Very high	67.8	Low	2 Å²	2	89.8 Å²	89.8	1%	0.01	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	106	168.8	-172.1	77.5	0	0	0	109.8	F28 I36 L40 A44 I45 F46 S386 F388 P390	F28-L392 HydrophobicContact CE2-CB 4.14Å; F28-L392 HydrophobicContact CZ-CB 3.85Å; I36-L392 HydrophobicContact CG2-CD1 4.3Å; I36-L392 HydrophobicContact CG2-CD2 3.65Å; L40-L392 HydrophobicContact CD1-CD2 4.29Å; A44-L392 HydrophobicContact CB-CD1 3.86Å; A44-L392 HydrophobicContact CB-CG 4.18Å; I45-L392 WeakPolarHBondContact O-CA 3.35Å; F46-L392 HydrophobicContact CD1-CD1 3.71Å; F46-L392 HydrophobicContact CD2-CD1 3.84Å; F46-L392 HydrophobicContact CE1-CD1 3.6Å; F46-L392 HydrophobicContact CE2-CD1 3.71Å; F46-L392 HydrophobicContact CG-CD1 3.84Å; F46-L392 HydrophobicContact CZ-CD1 3.59Å; S386-L392 PolarHBondContact OG-O 3.39Å; F388-L392 HydrophobicContact CB-CB 3.79Å; F388-L392 HydrophobicContact CB-CD2 3.44Å; F388-L392 VanDerWaalsContact CB-CD2 3.44Å; F388-L392 HydrophobicContact CB-CG 4.24Å; F388-L392 HydrophobicContact CD1-CD2 4.24Å; F388-L392 HydrophobicContact CD2-CD2 3.41Å; F388-L392 VanDerWaalsContact CD2-CD2 3.41Å; F388-L392 HydrophobicContact CE2-CD2 4.18Å; F388-L392 HydrophobicContact CG-CD2 3.44Å; F388-L392 VanDerWaalsContact CG-CD2 3.44Å; P390-L392 VanDerWaalsContact C-N 3.34Å
393	V	95.8	Very high	67.7	Low	61 Å²	61	90.5 Å²	90.5	37%	0.37	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	112.7	-174.3	-175.4	0	0	0	0	109.5	A44 I45 P390	A44-V393 CarbonylContact C-O 3.56Å; A44-V393 WeakPolarHBondContact CA-O 2.91Å; I45-V393 HydrophobicContact CB-CB 4.35Å; I45-V393 HydrophobicContact CD1-CB 4.49Å; I45-V393 PolarHBondContact N-O 2.66Å; I45-V393 PolarHBondContact O-N 3.36Å; P390-V393 WeakPolarHBondContact O-CG2 3.46Å
394	P	94.6	Very high	67.1	Low	68 Å²	68	86 Å²	86	44%	0.442	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	143	172.8	-21.7	33.1	0	0	0	111.2	A396	P394-A396 PolarHBondContact O-N 3.18Å
395	V	95.1	Very high	66.9	Low	7 Å²	7	90.5 Å²	90.5	4%	0.042	53%	0.53	C	S	.	.			trans	-75.3	115.2	174.8	-178.7	0	0	0	0	109.6	P43 I45 L195 H239 V241 L249	P43-V395 HydrophobicContact CB-CB 4.1Å; P43-V395 HydrophobicContact CB-CG2 3.76Å; P43-V395 PolarHBondContact O-N 2.98Å; I45-V395 HydrophobicContact CG1-CG2 4.33Å; L195-V395 HydrophobicContact CD1-CB 4.48Å; L195-V395 HydrophobicContact CD1-CG1 3.99Å; L195-V395 HydrophobicContact CD1-CG2 4.27Å; H239-V395 HydrophobicContact CB-CG1 3.92Å; H239-V395 PolarHBondContact ND1-O 2.8Å; V241-V395 HydrophobicContact CB-CG1 3.93Å; V241-V395 HydrophobicContact CB-CG2 4.19Å; V241-V395 HydrophobicContact CG1-CG1 3.97Å; V241-V395 HydrophobicContact CG1-CG2 3.94Å; L249-V395 HydrophobicContact CD1-CG2 3.95Å
396	A	89.9	Confident	66.1	Low	70 Å²	70	97.2 Å²	97.2	58%	0.579	54%	0.535	S	S	*	.			trans	-66.3	139.1	-176.6	0	0	0	0	0	112.7	H239 M240 P394	H239-A396 WeakPolarHBondContact CA-O 3.38Å; M240-A396 PolarHBondContact N-O 2.82Å; M240-A396 VanDerWaalsContact N-O 3.16Å; P394-A396 PolarHBondContact O-N 3.18Å
397	Q	90.7	Very high	64.7	Low	106 Å²	106	99 Å²	99	50%	0.495	56%	0.558	S	S	.	*	B	Isolated β-bridge	trans	-72.7	136.7	166.5	-170.1	-178.1	-7.7	0	0	109.1	H239	H239-Q397 PolarHBondContact ND1-N 3.46Å
398	R	80.5	Confident	63.1	Low	161 Å²	161	97.3 Å²	97.3	61%	0.608	56%	0.562	S	S	*	*			trans	-107.4	122.2	172.8	-161.6	-179.9	-175.8	-177.8	-0.6	109.3	R238 M240 E400	R238-R398 PolarHBondContact O-N 3.5Å; M240-R398 HydrophobicContact CE-CB 3.97Å; M240-R398 HydrophobicContact CE-CG 4.15Å; M240-R398 VanDerWaalsContact CE-NH1 3.32Å; R398-E400 PolarHBondContact O-N 3.35Å
399	S	57.6	Low	61.3	Low	100 Å²	100	101 Å²	101	70%	0.699	58%	0.583	S	S	*	*			trans	-71.4	117.9	162.1	56.6	0	0	0	0	108.1	E401	S399-E401 PolarHBondContact O-N 2.91Å; S399-E401 VanDerWaalsContact O-N 3.12Å
400	E	51.3	Low	58.9	Low	126 Å²	126	109.4 Å²	109.4	59%	0.589	61%	0.611	S	S	*	*			trans	-67.2	108.8	172	-68.3	-167.9	158.9	0	0	108.9	R238 R398	R238-E400 IonicContact CZ-OE1 3.47Å; R238-E400 IonicContact NE-OE1 2.78Å; R238-E400 IonicContact NH1-OE1 3.59Å; R238-E400 PolarHBondContact NH1-OE1 2.91Å; R238-E400 IonicContact NH2-OE1 2.84Å; R398-E400 PolarHBondContact O-N 3.35Å
401	E	33	Very low	56	Low	173 Å²	173	107.4 Å²	107.4	81%	0.808	61%	0.611	S	S	*	*			trans	-70.1	139.2	155.9	-77	-172.5	165.1	0	0	108	S399	S399-E401 PolarHBondContact O-N 2.91Å; S399-E401 VanDerWaalsContact O-N 3.12Å
402	P	31.6	Very low	52.8	Low	114 Å²	114	110.5 Å²	110.5	74%	0.74	64%	0.635	S	S	*	*			trans	-59.6	142.4	-179.1	24.9	-32.5	0	0	0	109.8	S404	P402-S404 PolarHBondContact O-N 3.41Å
403	P	34.3	Very low	49.5	Very low	130 Å²	130	117.8 Å²	117.8	84%	0.844	67%	0.674	S	S	*	*			trans	-61.5	108.2	-178.5	24.6	-33.1	0	0	0	109.9	E405	P403-E405 PolarHBondContact O-N 3.4Å
404	S	28.7	Very low	46.1	Very low	103 Å²	103	118.2 Å²	118.2	72%	0.72	69%	0.691	S	S	*	*			trans	-55	122.4	166.1	166.2	0	0	0	0	108.8	P402 R406	P402-S404 PolarHBondContact O-N 3.41Å; S404-R406 PolarHBondContact O-N 3.39Å
405	E	37.8	Very low	42.9	Very low	191 Å²	191	124.5 Å²	124.5	89%	0.893	71%	0.711	S	S	*	*			trans	-48	113.5	165.9	-67.4	-179.6	160.8	0	0	109.8	P403	P403-E405 PolarHBondContact O-N 3.4Å
406	R	30.5	Very low	39.6	Very low	236 Å²	236	131 Å²	131	89%	0.891	75%	0.746	S	S	*	*			trans	-138.3	93.3	163.6	-172.3	170	-83.4	-117.7	1.1	109.8	S404	S404-R406 PolarHBondContact O-N 3.39Å
407	G	27.5	Very low	36.6	Very low	67 Å²	67	137.5 Å²	137.5	69%	0.691	76%	0.761	S	S	*	*			trans	73	83.3	133	0	0	0	0	0	116.7
408	G	26.1	Very low	33.4	Very low	83 Å²	83	138.3 Å²	138.3	86%	0.856	77%	0.773	S	S	*	*			trans	-64	128.8	155.8	0	0	0	0	0	110.7
409	I	28.5	Very low	30.8	Very low	144 Å²	144	138.2 Å²	138.2	74%	0.738	79%	0.785	S	S	*	*			trans	-139.7	102.3	159.8	-59.6	-178.6	0	0	0	106
410	F	28.9	Very low	29.3	Very low	207 Å²	207	141.2 Å²	141.2	91%	0.908	79%	0.785	S	S	*	*				179.7	110.8	127.9	-95.6	-69.7	0	0	0	107.1
411	G	24.4	Very low	28.1	Very low	67 Å²	67	142.7 Å²	142.7	69%	0.691	80%	0.797	S	S	*	*			trans	-105.9	173.4	172.9	0	0	0	0	0	111.8
412	S	26.5	Very low	27.7	Very low	104 Å²	104	137.9 Å²	137.9	73%	0.727	79%	0.794	S	S	*	*			trans	80.9	131.8	175.1	113.8	0	0	0	0	114
413	D	26.8	Very low	27.3	Very low	156 Å²	156	140.8 Å²	140.8	83%	0.834	80%	0.798	S	S	*	*			cis	-157.7	149.8	6.5	-98.8	-28.4	0	0	0	109.3
414	G	24.6	Very low	26.9	Very low	69 Å²	69	142.7 Å²	142.7	71%	0.711	80%	0.795	S	S	*	*			trans	-79.2	169.1	-177.7	0	0	0	0	0	114.8
415	K	27.4	Very low	26.6	Very low	201 Å²	201	146.3 Å²	146.3	87%	0.874	80%	0.798	S	S	*	*			trans	-160.8	120.2	135.6	-111.4	173.5	-176	179	0	110.5
416	D	25.3	Very low	25.9	Very low	143 Å²	143	141 Å²	141	77%	0.765	80%	0.795	S	S	*	*			trans	-57.3	143.6	167.5	-63.9	-57.7	0	0	0	112.1
417	F	26.3	Very low	25.6	Very low	207 Å²	207	138.2 Å²	138.2	91%	0.908	79%	0.789	S	S	*	*			trans	-144.8	114	140.7	-90.3	-76.6	0	0	0	109.4
418	V	24	Very low	25.4	Very low	122 Å²	122	142.3 Å²	142.3	74%	0.739	80%	0.795	S	S	*	*			trans	-87.9	133.1	162.6	171.8	0	0	0	0	106.9
419	D	26.2	Very low	25.3	Very low	160 Å²	160	146.2 Å²	146.2	86%	0.856	79%	0.79	S	S	*	*			trans	-153.4	155	140	-134.1	-13	0	0	0	113.4
420	K	25.5	Very low	25	Very low	163 Å²	163	144.5 Å²	144.5	71%	0.709	79%	0.79	S	S	*	*			trans	-99.4	175.1	-162.5	-83.4	-176.7	167.9	-176.7	0	114.8
421	D	26.7	Very low	24.7	Very low	156 Å²	156	139.6 Å²	139.6	83%	0.834	79%	0.788	S	S	*	*			trans	77.7	143.5	154.7	-55.5	-30.8	0	0	0	116.3
422	G	24.4	Very low	24.7	Very low	73 Å²	73	145.4 Å²	145.4	75%	0.753	79%	0.794	S	S	*	*			cis	175.7	160.6	7.8	0	0	0	0	0	108.5
423	E	23.4	Very low	24.6	Very low	175 Å²	175	150.5 Å²	150.5	82%	0.818	80%	0.797	S	S	*	*			trans	-60.6	151	-175.8	-55.2	172.3	145.2	0	0	115
424	H	24.6	Very low	24.5	Very low	170 Å²	170	150.6 Å²	150.6	79%	0.787	79%	0.793	S	S	*	*				-176.1	159.4	112.7	-117.3	37.7	0	0	0	116.3
425	F	23.6	Very low	24.4	Very low	178 Å²	178	155.9 Å²	155.9	78%	0.781	80%	0.799	S	S	*	*			trans	-61.3	155.2	-169.7	-86.4	-105.6	0	0	0	118.7
426	G	23.7	Very low	24.3	Very low	80 Å²	80	154.3 Å²	154.3	83%	0.825	80%	0.798	S	S	*	*			trans	-162.9	99.6	155.5	0	0	0	0	0	112.9
427	K	23.9	Very low	24.1	Very low	177 Å²	177	154.4 Å²	154.4	77%	0.77	80%	0.796	S	S	*	*			trans	-76.1	147.2	168.6	-73.1	172.5	173.4	173.3	0	110.4
428	L	23.3	Very low	23.9	Very low	154 Å²	154	151.1 Å²	151.1	81%	0.806	79%	0.787	S	S	*	*				178.6	130.6	111.5	-120.8	88.5	0	0	0	115.8
429	H	23.1	Very low	23.9	Very low	165 Å²	165	150.9 Å²	150.9	76%	0.764	79%	0.792	S	S	*	*			trans	53.5	102.4	140	-82.6	-66.9	0	0	0	125
430	C	21.3	Very low	23.9	Very low	107 Å²	107	152.4 Å²	152.4	72%	0.723	79%	0.793	S	S	*	*				18.8	129.1	109	-157.9	0	0	0	0	121.3
431	A	24.1	Very low	23.8	Very low	105 Å²	105	154.7 Å²	154.7	87%	0.868	80%	0.803	S	S	*	*			trans	-144.8	136.7	145.9	0	0	0	0	0	111.8
432	K	23.4	Very low	23.7	Very low	188 Å²	188	151.7 Å²	151.7	82%	0.817	80%	0.801	S	S	*	*			trans	-90.4	170.4	-172.8	-79.7	176.1	168.5	175.1	0	113.7
433	R	24.1	Very low	23.7	Very low	211 Å²	211	156.5 Å²	156.5	80%	0.796	81%	0.807	S	S	*	*			trans	108.4	136.6	148.1	-75.2	-177.1	171.1	-177	-0.5	113.6
434	Q	25	Very low	23.7	Very low	159 Å²	159	157 Å²	157	74%	0.743	81%	0.807	S	S	*	*			cis	-164.4	144.5	24.9	-128.5	155.9	-1.4	0	0	111.3
435	Q	24.1	Very low	23.8	Very low	180 Å²	180	156.4 Å²	156.4	84%	0.841	80%	0.804	S	S	*	*			trans	-71.7	145.9	160.3	-84.1	169.1	-45.6	0	0	110.8
436	I	23.8	Very low	23.8	Very low	167 Å²	167	155.5 Å²	155.5	86%	0.856	80%	0.802	S	S	*	*			trans	-135.6	126.2	149.8	-64	-178.2	0	0	0	107.6
437	M	21.3	Very low	23.9	Very low	146 Å²	146	159.9 Å²	159.9	72%	0.719	81%	0.805	S	S	*	*			trans	-94.5	165.3	168.8	-70.3	-161.2	-41.3	0	0	111.6
438	N	22.9	Very low	24	Very low	137 Å²	137	155.6 Å²	155.6	73%	0.733	80%	0.803	S	S	*	*			trans	92.8	114.4	155	-64.5	-12	0	0	0	117.6
439	S	24.5	Very low	24.1	Very low	118 Å²	118	153.1 Å²	153.1	83%	0.825	80%	0.798	S	S	*	*				-177.4	133.1	85.3	42.5	0	0	0	0	112
440	E	24.3	Very low	24.3	Very low	191 Å²	191	153 Å²	153	89%	0.893	80%	0.803	S	S	*	*			trans	-67.3	143.1	164.1	-66.3	172.6	141.4	0	0	110.3
441	K	24.4	Very low	24.6	Very low	211 Å²	211	152.8 Å²	152.8	92%	0.917	81%	0.809	S	S	*	*			trans	-146	124.4	152.2	-114	179.5	-176.1	-178.6	0	111.3
442	A	23.7	Very low	24.8	Very low	94 Å²	94	154.3 Å²	154.3	78%	0.777	81%	0.808	S	S	*	*			trans	-60.1	145.3	177.1	0	0	0	0	0	113.6
443	I	25.6	Very low	25.2	Very low	173 Å²	173	152.2 Å²	152.2	89%	0.887	81%	0.811	S	S	*	*			trans	-133.5	119.3	149	-60.4	-178.7	0	0	0	107
444	K	23.1	Very low	25.7	Very low	187 Å²	187	146 Å²	146	81%	0.813	81%	0.805	S	S	*	*			trans	-116.1	152.2	173.3	-125.4	-175	-174.9	-175.6	0	107.7
445	E	26.7	Very low	26.3	Very low	156 Å²	156	143.5 Å²	143.5	73%	0.729	80%	0.802	S	S	*	*			trans	79.6	139.8	167	-63.7	-175.5	170.5	0	0	116.1
446	Q	24.3	Very low	27.3	Very low	159 Å²	159	139.9 Å²	139.9	74%	0.743	80%	0.797	S	S	*	*			cis	-171.7	133.3	9.7	-122.1	170	23.1	0	0	105.9
447	I	24.7	Very low	28.7	Very low	172 Å²	172	138.1 Å²	138.1	88%	0.882	79%	0.785	S	S	*	*			trans	-147.8	113.6	142.9	-60.3	-172.5	0	0	0	107.5
448	A	26.1	Very low	30.4	Very low	88 Å²	88	136.6 Å²	136.6	73%	0.727	78%	0.784	S	S	*	*			trans	-91.1	132.4	162.4	0	0	0	0	0	108.8
449	S	25.7	Very low	32.7	Very low	101 Å²	101	136.8 Å²	136.8	71%	0.706	78%	0.779	S	S	*	*				163.3	129.6	127.4	49	0	0	0	0	112.3
450	N	28	Very low	35.1	Very low	164 Å²	164	133.8 Å²	133.8	88%	0.877	75%	0.753	S	S	*	*			trans	61.9	91.3	149.1	-58.2	-11.3	0	0	0	119
451	A	27.2	Very low	37.5	Very low	101 Å²	101	127 Å²	127	84%	0.835	73%	0.727	S	S	*	*			trans	-140.9	132.6	147.7	0	0	0	0	0	110.1
452	T	29	Very low	39.7	Very low	138 Å²	138	119.7 Å²	119.7	85%	0.847	70%	0.7	S	S	*	*			trans	-36.1	131.6	176.8	-32.7	0	0	0	0	112.8	A454	T452-A454 PolarHBondContact O-N 2.87Å
453	T	30.7	Very low	42.3	Very low	143 Å²	143	120.6 Å²	120.6	88%	0.877	69%	0.691	S	S	*	*			trans	-54	100.6	175.6	31.6	0	0	0	0	111.3
454	A	33.6	Very low	44.9	Very low	81 Å²	81	116.1 Å²	116.1	67%	0.669	67%	0.669	S	S	*	*			trans	-67.3	149.1	155.5	0	0	0	0	0	108.7	T452 S456	T452-A454 PolarHBondContact O-N 2.87Å; A454-S456 PolarHBondContact O-N 3.24Å
455	P	39.7	Very low	47.6	Very low	106 Å²	106	108 Å²	108	69%	0.688	64%	0.635	S	S	*	*			trans	-59.1	134.4	177.1	-12.6	25.9	0	0	0	109	Q457	P455-Q457 PolarHBondContact O-N 3.4Å
456	S	43.8	Very low	50.2	Low	105 Å²	105	104.4 Å²	104.4	73%	0.734	62%	0.62	S	S	*	*			trans	-56.4	103.3	176.9	53.3	0	0	0	0	109.9	A454 T458	A454-S456 PolarHBondContact O-N 3.24Å; S456-T458 PolarHBondContact O-N 3.28Å; S456-T458 PolarHBondContact O-OG1 3.21Å
457	Q	52.5	Low	53.1	Low	130 Å²	130	102.3 Å²	102.3	61%	0.607	61%	0.614	S	S	*	*			trans	-55.7	112.5	162.2	-83.3	177.7	-19.1	0	0	106.4	P455 F459	P455-Q457 PolarHBondContact O-N 3.4Å; Q457-F459 HydrophobicContact CB-CE2 4.04Å; Q457-F459 HydrophobicContact CB-CZ 4.25Å; Q457-F459 VanDerWaalsContact O-CD2 3.24Å; Q457-F459 WeakPolarHBondContact O-CD2 3.34Å; Q457-F459 PolarHBondContact O-N 2.96Å; Q457-F459 VanDerWaalsContact O-N 3.13Å
458	T	58	Low	55.9	Low	113 Å²	113	97.9 Å²	97.9	69%	0.693	60%	0.597	S	S	*	*			trans	-78.8	99.8	179.6	-37.4	0	0	0	0	105.7	S456 I460	S456-T458 PolarHBondContact O-N 3.28Å; S456-T458 PolarHBondContact O-OG1 3.21Å; T458-I460 PolarHBondContact O-N 2.95Å
459	F	70.8	Confident	58.7	Low	142 Å²	142	96.1 Å²	96.1	62%	0.623	58%	0.575	S	S	*	*			trans	-71.8	126.3	177.5	-69.2	-86.3	0	0	0	108.8	N326 Q457 S461	N326-F459 WeakPolarHBondContact OD1-CA 3.24Å; Q457-F459 HydrophobicContact CB-CE2 4.04Å; Q457-F459 HydrophobicContact CB-CZ 4.25Å; Q457-F459 VanDerWaalsContact O-CD2 3.24Å; Q457-F459 WeakPolarHBondContact O-CD2 3.34Å; Q457-F459 PolarHBondContact O-N 2.96Å; Q457-F459 VanDerWaalsContact O-N 3.13Å; F459-S461 PolarHBondContact O-N 3.06Å
460	I	75.4	Confident	61.5	Low	54 Å²	54	95.5 Å²	95.5	28%	0.277	57%	0.567	S	S	.	*			trans	-74.6	116	166.3	-62.9	-156.6	0	0	0	107.2	L325 N326 V329 T458 D464	L325-I460 HydrophobicContact CD2-CG2 4.35Å; N326-I460 PolarHBondContact ND2-O 2.83Å; N326-I460 PolarHBondContact OD1-N 3.25Å; N326-I460 PolarHBondContact OD1-O 3.2Å; V329-I460 HydrophobicContact CB-CD1 4.12Å; V329-I460 HydrophobicContact CG1-CD1 3.64Å; V329-I460 HydrophobicContact CG1-CG1 3.97Å; V329-I460 HydrophobicContact CG2-CD1 3.6Å; V329-I460 HydrophobicContact CG2-CG1 4.39Å; T458-I460 PolarHBondContact O-N 2.95Å; I460-D464 HydrophobicContact CG2-CB 4.02Å
461	S	74.5	Confident	64.5	Low	50 Å²	50	90.7 Å²	90.7	35%	0.35	54%	0.542	S	S	.	.			trans	-79.3	162.6	170.9	72.6	0	0	0	0	111	F459 D463 D464 L465	F459-S461 PolarHBondContact O-N 3.06Å; S461-D463 PolarHBondContact O-N 3.15Å; S461-D463 PolarHBondContact OG-N 2.94Å; S461-D464 VanDerWaalsContact CB-OD2 3.29Å; S461-D464 WeakPolarHBondContact CB-OD2 3.38Å; S461-D464 PolarHBondContact N-OD2 3.16Å; S461-D464 PolarHBondContact O-N 3.14Å; S461-D464 PolarHBondContact OG-N 3.03Å; S461-D464 VanDerWaalsContact OG-N 3.14Å; S461-D464 PolarHBondContact OG-OD2 3.08Å; S461-L465 PolarHBondContact O-N 2.89Å
462	T	71.1	Confident	67.4	Low	57 Å²	57	91 Å²	91	35%	0.35	54%	0.535	S	S	.	.	H	α-helix	trans	-57.6	-34.5	170.7	-55.3	0	0	0	0	111.3	H318 L465 L466	H318-T462 PolarHBondContact NE2-OG1 3.35Å; T462-L465 PolarHBondContact O-N 3.43Å; T462-L466 HydrophobicContact CG2-CD1 4.07Å; T462-L466 HydrophobicContact CG2-CG 4.32Å; T462-L466 WeakPolarHBondContact O-CB 3.35Å; T462-L466 VanDerWaalsContact O-CG 3.26Å; T462-L466 WeakPolarHBondContact O-CG 3.42Å; T462-L466 PolarHBondContact O-N 3.27Å
463	D	76.9	Confident	70.3	Confident	113 Å²	113	89.9 Å²	89.9	60%	0.604	52%	0.52	S	S	*	.	H	α-helix	trans	-66.5	-41.3	178.8	-64.3	-21	0	0	0	111.3	S461 L465 L466 D467	S461-D463 PolarHBondContact O-N 3.15Å; S461-D463 PolarHBondContact OG-N 2.94Å; D463-L465 VanDerWaalsContact C-N 3.31Å; D463-L465 PolarHBondContact O-N 3.16Å; D463-L466 PolarHBondContact O-N 3.5Å; D463-L466 VanDerWaalsContact O-N 3.16Å; D463-D467 PolarHBondContact O-N 2.62Å
464	D	81.5	Confident	73	Confident	78 Å²	78	85.6 Å²	85.6	42%	0.417	49%	0.493	S	S	.	.	H	α-helix	trans	-61.2	-40	176.3	-60.6	-56.1	0	0	0	111.9	I460 S461 C468	I460-D464 HydrophobicContact CG2-CB 4.02Å; S461-D464 VanDerWaalsContact CB-OD2 3.29Å; S461-D464 WeakPolarHBondContact CB-OD2 3.38Å; S461-D464 PolarHBondContact N-OD2 3.16Å; S461-D464 PolarHBondContact O-N 3.14Å; S461-D464 PolarHBondContact OG-N 3.03Å; S461-D464 VanDerWaalsContact OG-N 3.14Å; S461-D464 PolarHBondContact OG-OD2 3.08Å; D464-C468 PolarHBondContact O-N 2.81Å; D464-C468 PolarHBondContact O-SG 3.23Å
465	L	80.2	Confident	75.6	Confident	18 Å²	18	85.3 Å²	85.3	9%	0.094	48%	0.484	C	S	.	.	H	α-helix	trans	-69	-42.4	175	179.9	64	0	0	0	111.2	I287 M290 L325 S461 T462 D463 C468 L469	I287-L465 HydrophobicContact CG1-CD1 4.28Å; I287-L465 HydrophobicContact CG2-CD1 4.36Å; M290-L465 HydrophobicContact CE-CD2 4.34Å; M290-L465 HydrophobicContact SD-CD2 3.44Å; M290-L465 WeakPolarHBondContact SD-CD2 3.47Å; L325-L465 HydrophobicContact CD2-CD2 4.1Å; S461-L465 PolarHBondContact O-N 2.89Å; T462-L465 PolarHBondContact O-N 3.43Å; D463-L465 VanDerWaalsContact C-N 3.31Å; D463-L465 PolarHBondContact O-N 3.16Å; L465-C468 WeakPolarHBondContact O-CB 3.34Å; L465-C468 PolarHBondContact O-N 3.37Å; L465-L469 HydrophobicContact CD1-CD1 4.11Å; L465-L469 HydrophobicContact CD1-CG 4.18Å; L465-L469 HydrophobicContact CD2-CD1 4.25Å; L465-L469 HydrophobicContact CG-CD1 3.78Å; L465-L469 HydrophobicContact CG-CG 4.26Å; L465-L469 WeakPolarHBondContact O-CG 3.26Å; L465-L469 PolarHBondContact O-N 3.38Å
466	L	80.3	Confident	78	Confident	79 Å²	79	88.4 Å²	88.4	41%	0.414	48%	0.482	S	S	.	.	H	α-helix	trans	-61.8	-45.8	178.9	-77.1	173.2	0	0	0	111.2	T462 D463 C468 L469 V470	T462-L466 HydrophobicContact CG2-CD1 4.07Å; T462-L466 HydrophobicContact CG2-CG 4.32Å; T462-L466 WeakPolarHBondContact O-CB 3.35Å; T462-L466 VanDerWaalsContact O-CG 3.26Å; T462-L466 WeakPolarHBondContact O-CG 3.42Å; T462-L466 PolarHBondContact O-N 3.27Å; D463-L466 PolarHBondContact O-N 3.5Å; D463-L466 VanDerWaalsContact O-N 3.16Å; L466-C468 PolarHBondContact O-N 3.14Å; L466-L469 PolarHBondContact O-N 3.38Å; L466-V470 WeakPolarHBondContact O-CB 3.43Å; L466-V470 WeakPolarHBondContact O-CG1 3.29Å; L466-V470 WeakPolarHBondContact O-CG2 3.43Å; L466-V470 PolarHBondContact O-N 3.38Å
467	D	84.8	Confident	80.1	Confident	115 Å²	115	87.1 Å²	87.1	62%	0.615	47%	0.466	S	S	*	.	H	α-helix	trans	-54.9	-36.9	176.2	-80.5	-11.5	0	0	0	112	D463 N471	D463-D467 PolarHBondContact O-N 2.62Å; D467-N471 PolarHBondContact O-N 2.89Å
468	C	84.8	Confident	81.8	Confident	80 Å²	80	84.4 Å²	84.4	54%	0.541	46%	0.458	S	S	.	.	H	α-helix	trans	-70.8	-47.5	174.6	-64	0	0	0	0	112.2	D464 L465 L466 N471	D464-C468 PolarHBondContact O-N 2.81Å; D464-C468 PolarHBondContact O-SG 3.23Å; L465-C468 WeakPolarHBondContact O-CB 3.34Å; L465-C468 PolarHBondContact O-N 3.37Å; L466-C468 PolarHBondContact O-N 3.14Å; C468-N471 WeakPolarHBondContact O-CB 3.22Å; C468-N471 PolarHBondContact O-N 3.27Å
469	L	83.4	Confident	83.2	Confident	50 Å²	50	81.1 Å²	81.1	26%	0.262	44%	0.442	S	S	.	.	H	α-helix	trans	-71	-35.9	-175.6	-69.2	173.2	0	0	0	113.2	L291 L465 L466 N471	L291-L469 HydrophobicContact CD1-CD2 4.35Å; L291-L469 HydrophobicContact CD2-CD1 3.79Å; L465-L469 HydrophobicContact CD1-CD1 4.11Å; L465-L469 HydrophobicContact CD1-CG 4.18Å; L465-L469 HydrophobicContact CD2-CD1 4.25Å; L465-L469 HydrophobicContact CG-CD1 3.78Å; L465-L469 HydrophobicContact CG-CG 4.26Å; L465-L469 WeakPolarHBondContact O-CG 3.26Å; L465-L469 PolarHBondContact O-N 3.38Å; L466-L469 PolarHBondContact O-N 3.38Å; L469-N471 PolarHBondContact O-N 3.3Å
470	V	86.6	Confident	84	Confident	89 Å²	89	78.4 Å²	78.4	54%	0.539	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	2.1	178	-53.6	0	0	0	0	112.6	L466	L466-V470 WeakPolarHBondContact O-CB 3.43Å; L466-V470 WeakPolarHBondContact O-CG1 3.29Å; L466-V470 WeakPolarHBondContact O-CG2 3.43Å; L466-V470 PolarHBondContact O-N 3.38Å
471	N	90.6	Very high	84.5	Confident	63 Å²	63	81 Å²	81	34%	0.337	45%	0.445	S	S	.	.			trans	-53.7	130.6	172	-174.1	-57.2	0	0	0	109.5	D467 C468 L469 Q473 V474 T475	D467-N471 PolarHBondContact O-N 2.89Å; C468-N471 WeakPolarHBondContact O-CB 3.22Å; C468-N471 PolarHBondContact O-N 3.27Å; L469-N471 PolarHBondContact O-N 3.3Å; N471-Q473 PolarHBondContact O-N 2.99Å; N471-Q473 VanDerWaalsContact O-N 3.08Å; N471-Q473 WeakPolarHBondContact OD1-CB 3.3Å; N471-Q473 PolarHBondContact OD1-N 3.48Å; N471-V474 HydrophobicContact CB-CB 4.38Å; N471-V474 HydrophobicContact CB-CG2 4.13Å; N471-V474 PolarHBondContact O-N 2.89Å; N471-T475 PolarHBondContact O-N 3.46Å; N471-T475 PolarHBondContact O-OG1 3.18Å
472	P	88.3	Confident	84.8	Confident	107 Å²	107	84.1 Å²	84.1	70%	0.695	46%	0.457	S	S	*	.	H	α-helix	trans	-55	-30.9	-178	-28.8	35.3	0	0	0	114.3	R476	P472-R476 VanDerWaalsContact O-CB 3.23Å; P472-R476 WeakPolarHBondContact O-CB 3.49Å; P472-R476 PolarHBondContact O-N 2.91Å
473	Q	89.8	Confident	85.5	Confident	115 Å²	115	87.4 Å²	87.4	54%	0.537	47%	0.471	S	S	.	.	H	α-helix	trans	-68.7	-48.7	176.6	-64.9	-177.3	-20	0	0	111.6	N471 T475 R476 I477	N471-Q473 PolarHBondContact O-N 2.99Å; N471-Q473 VanDerWaalsContact O-N 3.08Å; N471-Q473 WeakPolarHBondContact OD1-CB 3.3Å; N471-Q473 PolarHBondContact OD1-N 3.48Å; Q473-T475 VanDerWaalsContact C-N 3.35Å; Q473-T475 PolarHBondContact O-N 3.4Å; Q473-R476 PolarHBondContact O-N 3.38Å; Q473-I477 WeakPolarHBondContact O-CG1 3.28Å; Q473-I477 PolarHBondContact O-N 2.95Å
474	V	87.1	Confident	85.7	Confident	52 Å²	52	87.5 Å²	87.5	32%	0.315	47%	0.468	S	S	.	.	H	α-helix	trans	-60.3	-48.5	177.1	175.9	0	0	0	0	109.8	N471 R476 I477 V478	N471-V474 HydrophobicContact CB-CB 4.38Å; N471-V474 HydrophobicContact CB-CG2 4.13Å; N471-V474 PolarHBondContact O-N 2.89Å; V474-R476 VanDerWaalsContact C-N 3.28Å; V474-R476 PolarHBondContact O-N 2.92Å; V474-I477 PolarHBondContact O-N 3.3Å; V474-I477 VanDerWaalsContact O-N 3.14Å; V474-V478 HydrophobicContact CG1-CG2 4.32Å; V474-V478 WeakPolarHBondContact O-CG2 3.4Å; V474-V478 PolarHBondContact O-N 2.97Å
475	T	88.1	Confident	84.6	Confident	76 Å²	76	86 Å²	86	47%	0.466	47%	0.471	S	S	.	.	H	α-helix	trans	-56.8	-43	177.5	-59.7	0	0	0	0	111.5	N471 Q473 A479	N471-T475 PolarHBondContact O-N 3.46Å; N471-T475 PolarHBondContact O-OG1 3.18Å; Q473-T475 VanDerWaalsContact C-N 3.35Å; Q473-T475 PolarHBondContact O-N 3.4Å; T475-A479 VanDerWaalsContact O-CB 3.28Å; T475-A479 WeakPolarHBondContact O-CB 3.28Å; T475-A479 PolarHBondContact O-N 3.5Å
476	R	89.3	Confident	83.1	Confident	171 Å²	171	96.1 Å²	96.1	65%	0.645	51%	0.508	S	S	*	.	H	α-helix	trans	-63.8	-44.8	176.8	179.4	177.4	176	152.6	-1.1	112.3	P472 Q473 V474 A479 Q480	P472-R476 VanDerWaalsContact O-CB 3.23Å; P472-R476 WeakPolarHBondContact O-CB 3.49Å; P472-R476 PolarHBondContact O-N 2.91Å; Q473-R476 PolarHBondContact O-N 3.38Å; V474-R476 VanDerWaalsContact C-N 3.28Å; V474-R476 PolarHBondContact O-N 2.92Å; R476-A479 PolarHBondContact O-N 3.14Å; R476-Q480 WeakPolarHBondContact O-CB 3.13Å; R476-Q480 VanDerWaalsContact O-CG 3.3Å; R476-Q480 WeakPolarHBondContact O-CG 3.45Å; R476-Q480 PolarHBondContact O-N 2.92Å
477	I	88.9	Confident	81.4	Confident	77 Å²	77	97 Å²	97	40%	0.395	52%	0.521	S	S	.	.	H	α-helix	trans	-62	-49	178.5	-68.8	164.9	0	0	0	110.1	Q473 V474 A479 Q480 L481	Q473-I477 WeakPolarHBondContact O-CG1 3.28Å; Q473-I477 PolarHBondContact O-N 2.95Å; V474-I477 PolarHBondContact O-N 3.3Å; V474-I477 VanDerWaalsContact O-N 3.14Å; I477-A479 VanDerWaalsContact C-N 3.33Å; I477-A479 PolarHBondContact O-N 3.23Å; I477-Q480 PolarHBondContact O-N 3.08Å; I477-L481 HydrophobicContact CG2-CD1 3.99Å; I477-L481 HydrophobicContact CG2-CG 4.44Å; I477-L481 WeakPolarHBondContact O-CG 3.49Å; I477-L481 PolarHBondContact O-N 3.19Å
478	V	87.1	Confident	79.2	Confident	74 Å²	74	101.6 Å²	101.6	45%	0.448	55%	0.545	S	S	.	.	H	α-helix	trans	-59.8	-44.4	177.9	174.4	0	0	0	0	110.7	V474 Q480 L481 L482	V474-V478 HydrophobicContact CG1-CG2 4.32Å; V474-V478 WeakPolarHBondContact O-CG2 3.4Å; V474-V478 PolarHBondContact O-N 2.97Å; V478-Q480 PolarHBondContact O-N 2.95Å; V478-L481 PolarHBondContact O-N 2.94Å; V478-L482 HydrophobicContact CG1-CD1 3.93Å; V478-L482 HydrophobicContact CG1-CG 4.36Å; V478-L482 WeakPolarHBondContact O-CB 3.49Å; V478-L482 VanDerWaalsContact O-CG 3.28Å; V478-L482 WeakPolarHBondContact O-CG 3.39Å; V478-L482 PolarHBondContact O-N 3.46Å
479	A	87.5	Confident	78.9	Confident	43 Å²	43	102.7 Å²	102.7	36%	0.355	55%	0.545	S	S	.	.	H	α-helix	trans	-61.3	-42.4	176	0	0	0	0	0	112.5	T475 R476 I477 L482 I483	T475-A479 VanDerWaalsContact O-CB 3.28Å; T475-A479 WeakPolarHBondContact O-CB 3.28Å; T475-A479 PolarHBondContact O-N 3.5Å; R476-A479 PolarHBondContact O-N 3.14Å; I477-A479 VanDerWaalsContact C-N 3.33Å; I477-A479 PolarHBondContact O-N 3.23Å; A479-L482 PolarHBondContact O-N 3.35Å; A479-I483 WeakPolarHBondContact O-CD1 3.37Å; A479-I483 VanDerWaalsContact O-CG1 3.22Å; A479-I483 WeakPolarHBondContact O-CG1 3.23Å; A479-I483 PolarHBondContact O-N 2.89Å
480	Q	88.6	Confident	78.6	Confident	86 Å²	86	105.5 Å²	105.5	40%	0.402	56%	0.56	S	S	.	*	H	α-helix	trans	-62.3	-46.7	176.1	-75.5	175	-33.3	0	0	111.7	R476 I477 V478 L482 I483 Q484	R476-Q480 WeakPolarHBondContact O-CB 3.13Å; R476-Q480 VanDerWaalsContact O-CG 3.3Å; R476-Q480 WeakPolarHBondContact O-CG 3.45Å; R476-Q480 PolarHBondContact O-N 2.92Å; I477-Q480 PolarHBondContact O-N 3.08Å; V478-Q480 PolarHBondContact O-N 2.95Å; Q480-L482 VanDerWaalsContact C-N 3.35Å; Q480-L482 PolarHBondContact O-N 2.93Å; Q480-I483 PolarHBondContact O-N 3.43Å; Q480-Q484 WeakPolarHBondContact O-CB 3.49Å; Q480-Q484 VanDerWaalsContact O-CG 3.3Å; Q480-Q484 WeakPolarHBondContact O-CG 3.49Å; Q480-Q484 PolarHBondContact O-N 2.8Å
481	L	85.6	Confident	78.2	Confident	107 Å²	107	106.4 Å²	106.4	56%	0.56	56%	0.561	S	S	*	*	H	α-helix	trans	-62.1	-41	176.8	-70.7	173.3	0	0	0	111.9	I477 V478 I483 Q484 G485	I477-L481 HydrophobicContact CG2-CD1 3.99Å; I477-L481 HydrophobicContact CG2-CG 4.44Å; I477-L481 WeakPolarHBondContact O-CG 3.49Å; I477-L481 PolarHBondContact O-N 3.19Å; V478-L481 PolarHBondContact O-N 2.94Å; L481-I483 PolarHBondContact O-N 3.45Å; L481-Q484 PolarHBondContact O-N 3.07Å; L481-G485 PolarHBondContact O-N 2.89Å
482	L	81.5	Confident	77.5	Confident	117 Å²	117	108.9 Å²	108.9	61%	0.613	57%	0.574	S	S	*	*	H	α-helix	trans	-63.3	-39.8	175.8	-76.5	170.7	0	0	0	112.6	V478 A479 Q480	V478-L482 HydrophobicContact CG1-CD1 3.93Å; V478-L482 HydrophobicContact CG1-CG 4.36Å; V478-L482 WeakPolarHBondContact O-CB 3.49Å; V478-L482 VanDerWaalsContact O-CG 3.28Å; V478-L482 WeakPolarHBondContact O-CG 3.39Å; V478-L482 PolarHBondContact O-N 3.46Å; A479-L482 PolarHBondContact O-N 3.35Å; Q480-L482 VanDerWaalsContact C-N 3.35Å; Q480-L482 PolarHBondContact O-N 2.93Å
483	I	85.3	Confident	76.8	Confident	125 Å²	125	109.1 Å²	109.1	64%	0.641	57%	0.567	S	S	*	*	H	α-helix	trans	-69.5	-46.4	177.6	-67.9	163.8	0	0	0	110.2	A479 Q480 L481 R486	A479-I483 WeakPolarHBondContact O-CD1 3.37Å; A479-I483 VanDerWaalsContact O-CG1 3.22Å; A479-I483 WeakPolarHBondContact O-CG1 3.23Å; A479-I483 PolarHBondContact O-N 2.89Å; Q480-I483 PolarHBondContact O-N 3.43Å; L481-I483 PolarHBondContact O-N 3.45Å; I483-R486 PolarHBondContact O-N 3.14Å
484	Q	80.4	Confident	75.9	Confident	116 Å²	116	108.7 Å²	108.7	54%	0.542	57%	0.569	S	S	.	*	H	α-helix	trans	-66.2	-38.8	179.4	-73.1	175.1	-4.1	0	0	112.8	Q480 L481 R486 S487	Q480-Q484 WeakPolarHBondContact O-CB 3.49Å; Q480-Q484 VanDerWaalsContact O-CG 3.3Å; Q480-Q484 WeakPolarHBondContact O-CG 3.49Å; Q480-Q484 PolarHBondContact O-N 2.8Å; L481-Q484 PolarHBondContact O-N 3.07Å; Q484-R486 PolarHBondContact O-N 2.96Å; Q484-S487 WeakPolarHBondContact CA-OG 3.13Å; Q484-S487 PolarHBondContact O-N 2.86Å; Q484-S487 PolarHBondContact O-OG 2.84Å
485	G	59.5	Low	75.1	Confident	47 Å²	47	112.7 Å²	112.7	49%	0.485	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.5	-12.4	178.9	0	0	0	0	0	114.6	L481	L481-G485 PolarHBondContact O-N 2.89Å
486	R	48.6	Very low	74.1	Confident	229 Å²	229	115.5 Å²	115.5	86%	0.864	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-8.8	170.7	-72.7	-172	177.8	-166.2	0.8	113.6	I483 Q484	I483-R486 PolarHBondContact O-N 3.14Å; Q484-R486 PolarHBondContact O-N 2.96Å
487	S	43	Very low	72.9	Confident	99 Å²	99	110.9 Å²	110.9	69%	0.692	59%	0.592	S	S	*	*			trans	-103.9	-1.3	179.1	36	0	0	0	0	114.2	Q484	Q484-S487 WeakPolarHBondContact CA-OG 3.13Å; Q484-S487 PolarHBondContact O-N 2.86Å; Q484-S487 PolarHBondContact O-OG 2.84Å
488	L	38.5	Very low	71.4	Confident	211 Å²	211	114 Å²	114	100%	1.105	61%	0.61	S	S	*	*			trans	-103.9	0	167.7	-75.4	161.3	0	0	0	109

Retrieved 488 of 488 residues in 576.5 ms (Link to these results)

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