A0A3Q0KL22_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KL22, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 332 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	45.7	Very low	231 Å²	231	122.6 Å²	122.6	100%	1.138	63%	0.633	S	S	*	*				0	92.8	0	-159.8	175.5	-173.5	0	0	106.6	L3	M1-L3 PolarHBondContact O-N 2.89Å
2	V	44.3	Very low	46.4	Very low	90 Å²	90	123.2 Å²	123.2	55%	0.545	65%	0.646	S	S	.	*			trans	-53.7	134	-178	-174.1	0	0	0	0	107.8	R4 P14	V2-R4 HydrophobicContact CB-CG 4.07Å; V2-R4 HydrophobicContact CG1-CG 3.75Å; V2-R4 PolarHBondContact O-N 2.97Å; V2-P14 HydrophobicContact CG1-CB 3.5Å; V2-P14 HydrophobicContact CG1-CG 4.41Å
3	L	45.1	Very low	47.1	Very low	72 Å²	72	120.2 Å²	120.2	38%	0.377	63%	0.631	S	S	.	*	S	Bend	trans	-63	29.6	-179.7	-85.3	158.8	0	0	0	113.9	M1 R5 F6	M1-L3 PolarHBondContact O-N 2.89Å; L3-R5 PolarHBondContact O-N 3.27Å; L3-R5 VanDerWaalsContact O-N 3.09Å; L3-F6 HydrophobicContact CD2-CD2 4.41Å; L3-F6 PolarHBondContact O-N 2.88Å
4	R	44.9	Very low	48.2	Very low	192 Å²	192	115.7 Å²	115.7	73%	0.725	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-55.8	-25.1	-179	-79.4	-172.2	175.7	-167.6	-1.8	113.7	V2 F6 P14	V2-R4 HydrophobicContact CB-CG 4.07Å; V2-R4 HydrophobicContact CG1-CG 3.75Å; V2-R4 PolarHBondContact O-N 2.97Å; R4-F6 VanDerWaalsContact C-N 3.27Å; R4-F6 PolarHBondContact O-N 2.96Å; R4-P14 HydrophobicContact CG-CB 4.47Å
5	R	42.4	Very low	49.3	Very low	228 Å²	228	108.5 Å²	108.5	86%	0.86	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-74.8	-7	-175.5	-88.2	-170.9	177.1	-173.9	-0.2	115.5	L3	L3-R5 PolarHBondContact O-N 3.27Å; L3-R5 VanDerWaalsContact O-N 3.09Å
6	F	45.7	Very low	51	Low	142 Å²	142	106.9 Å²	106.9	62%	0.623	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-123	11.6	-175.2	-64.4	-79.5	0	0	0	115.1	L3 R4 K51	L3-F6 HydrophobicContact CD2-CD2 4.41Å; L3-F6 PolarHBondContact O-N 2.88Å; R4-F6 VanDerWaalsContact C-N 3.27Å; R4-F6 PolarHBondContact O-N 2.96Å; F6-K51 VanDerWaalsContact CB-NZ 3.3Å; F6-K51 WeakPolarHBondContact O-CE 3.37Å; F6-K51 PolarHBondContact O-NZ 3.28Å
7	C	46.8	Very low	53.2	Low	38 Å²	38	104.5 Å²	104.5	26%	0.257	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-82.6	131.4	173.2	-93.4	0	0	0	0	110.6	C11	C7-C11 HydrophobicContact CB-CB 4.13Å
8	L	49.1	Very low	55.4	Low	84 Å²	84	101.3 Å²	101.3	44%	0.44	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-52.4	150.4	175.1	-73.7	157.6	0	0	0	111.3	G10 C11 F49	L8-G10 PolarHBondContact O-N 3.45Å; L8-G10 VanDerWaalsContact O-N 3.12Å; L8-C11 PolarHBondContact O-N 3.12Å; L8-F49 HydrophobicContact CD1-CE1 4.17Å; L8-F49 HydrophobicContact CD1-CZ 4.47Å
9	V	45.8	Very low	57.4	Low	159 Å²	159	96 Å²	96	96%	0.964	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	118.4	171.7	-178.3	0	0	0	0	109.2
10	G	49.8	Very low	59.2	Low	75 Å²	75	98.2 Å²	98.2	77%	0.773	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.9	-6.6	178.7	0	0	0	0	0	116.6	L8 T12	L8-G10 PolarHBondContact O-N 3.45Å; L8-G10 VanDerWaalsContact O-N 3.12Å; G10-T12 PolarHBondContact O-N 3.15Å
11	C	51	Low	61	Low	38 Å²	38	93.5 Å²	93.5	26%	0.257	50%	0.497	S	S	.	.			trans	-88.2	101.5	173.3	-166.2	0	0	0	0	110.1	C7 L8	C7-C11 HydrophobicContact CB-CB 4.13Å; L8-C11 PolarHBondContact O-N 3.12Å
12	T	54.2	Low	63.7	Low	129 Å²	129	87 Å²	87	79%	0.791	46%	0.462	S	S	*	.			trans	-78	-23.5	-178.6	50.2	0	0	0	0	113.5	G10	G10-T12 PolarHBondContact O-N 3.15Å
13	D	56.4	Low	66	Low	84 Å²	84	83.7 Å²	83.7	45%	0.449	44%	0.442	S	S	.	.	S	Bend	trans	-85.2	124.6	-177.4	-63.7	-26.2	0	0	0	110.9	C15	D13-C15 PolarHBondContact O-N 3.25Å
14	P	62.3	Low	67.9	Low	58 Å²	58	84.7 Å²	84.7	38%	0.377	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-69.4	124.3	176.5	26.3	-30.4	0	0	0	110.2	V2 R4 S16	V2-P14 HydrophobicContact CG1-CB 3.5Å; V2-P14 HydrophobicContact CG1-CG 4.41Å; R4-P14 HydrophobicContact CG-CB 4.47Å; P14-S16 PolarHBondContact O-N 3.33Å
15	C	64.6	Low	69.9	Low	7 Å²	7	79.3 Å²	79.3	5%	0.047	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-62.5	131.9	167	-59.4	0	0	0	0	109.6	D13 V33	D13-C15 PolarHBondContact O-N 3.25Å; C15-V33 WeakPolarHBondContact CA-O 3.36Å; C15-V33 WeakPolarHBondContact CB-O 3.36Å
16	S	76.6	Confident	72.2	Confident	84 Å²	84	70.2 Å²	70.2	59%	0.587	43%	0.429	S	S	*	.			trans	-83.1	-32.7	-176.2	49.8	0	0	0	0	112.6	P14 V33	P14-S16 PolarHBondContact O-N 3.33Å; S16-V33 PolarHBondContact N-O 3.2Å; S16-V33 VanDerWaalsContact N-O 3.08Å
17	E	88	Confident	74.4	Confident	65 Å²	65	69.4 Å²	69.4	30%	0.304	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	149.8	-168.4	-173.4	-168.3	147.2	0	0	110.8	V19 Y32 V33 R61	E17-V19 HydrophobicContact CG-CG2 4.35Å; E17-V19 VanDerWaalsContact OE1-CG2 3.32Å; E17-V19 WeakPolarHBondContact OE1-CG2 3.33Å; E17-Y32 WeakPolarHBondContact O-CA 3.43Å; E17-V33 HydrophobicContact CB-CB 4.11Å; E17-V33 HydrophobicContact CB-CG2 3.95Å; E17-V33 HydrophobicContact CG-CG2 4.49Å; E17-V33 PolarHBondContact O-N 3.17Å; E17-R61 IonicContact OE1-CZ 2.73Å; E17-R61 IonicContact OE1-NH1 2.79Å; E17-R61 PolarHBondContact OE1-NH1 3.39Å; E17-R61 IonicContact OE1-NH2 3.79Å; E17-R61 PolarHBondContact OE1-NH2 2.82Å; E17-R61 IonicContact OE2-CZ 2.82Å; E17-R61 IonicContact OE2-NH2 2.82Å; E17-R61 PolarHBondContact OE2-NH2 3.44Å
18	A	91.9	Very high	76.7	Confident	48 Å²	48	74.6 Å²	74.6	40%	0.397	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.2	168.1	0	0	0	0	0	109.4	T30 F31 Y32	A18-T30 HydrophobicContact CB-CG2 4.24Å; A18-F31 CarbonylContact C-O 3.59Å; A18-F31 WeakPolarHBondContact CA-O 3.29Å; A18-Y32 HydrophobicContact CB-CD1 4.14Å; A18-Y32 HydrophobicContact CB-CE1 4.11Å
19	V	93.9	Very high	78.9	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.1	-177.6	174.4	0	0	0	0	109	E17 V21 T30 F31 V33 L59 L112	E17-V19 HydrophobicContact CG-CG2 4.35Å; E17-V19 VanDerWaalsContact OE1-CG2 3.32Å; E17-V19 WeakPolarHBondContact OE1-CG2 3.33Å; V19-V21 HydrophobicContact CG1-CG1 4.12Å; V19-T30 CarbonylContact O-C 3.58Å; V19-T30 WeakPolarHBondContact O-CA 3.38Å; V19-F31 PolarHBondContact N-O 3.22Å; V19-F31 PolarHBondContact O-N 3.5Å; V19-V33 HydrophobicContact CG2-CG2 3.66Å; V19-L59 HydrophobicContact CB-CD2 4.42Å; V19-L59 HydrophobicContact CG1-CD1 4.44Å; V19-L59 HydrophobicContact CG1-CD2 4.15Å; V19-L59 HydrophobicContact CG2-CD2 3.85Å; V19-L112 HydrophobicContact CG1-CD1 3.8Å
20	R	94.7	Very high	81.2	Confident	140 Å²	140	69 Å²	69	53%	0.528	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.3	177.3	-65	-174.6	66.7	-165.4	-1.6	110.3	W28 K29 T30	R20-W28 HydrophobicContact CB-CE3 4.13Å; R20-W28 HydrophobicContact CB-CZ3 4.26Å; R20-K29 WeakPolarHBondContact CA-O 3.44Å; R20-T30 HydrophobicContact CG-CG2 4.15Å
21	V	95.7	Very high	83.4	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	165.3	-178.8	-71.3	0	0	0	0	109.6	V19 W28 K29 F31 A94 S95 L112 V114	V19-V21 HydrophobicContact CG1-CG1 4.12Å; V21-W28 WeakPolarHBondContact O-CA 3.47Å; V21-K29 PolarHBondContact N-O 3.43Å; V21-K29 VanDerWaalsContact N-O 3.13Å; V21-K29 PolarHBondContact O-N 2.98Å; V21-F31 HydrophobicContact CG2-CD2 3.83Å; V21-F31 HydrophobicContact CG2-CE2 3.63Å; V21-A94 HydrophobicContact CB-CB 4.26Å; V21-A94 HydrophobicContact CG2-CB 3.54Å; V21-S95 WeakPolarHBondContact CB-O 3.27Å; V21-L112 HydrophobicContact CG1-CB 3.94Å; V21-L112 HydrophobicContact CG1-CD1 4Å; V21-V114 HydrophobicContact CG2-CG2 3.71Å
22	K	94.3	Very high	85.6	Confident	93 Å²	93	66.1 Å²	66.1	40%	0.404	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.3	177.3	-69.5	-177.5	179	-178.2	0	110.3	H27 W28 A94 S95	K22-H27 WeakPolarHBondContact CA-O 3.35Å; K22-W28 HydrophobicContact CD-CZ2 4.33Å; K22-W28 HydrophobicContact CG-CD2 3.81Å; K22-W28 HydrophobicContact CG-CE3 3.92Å; K22-W28 HydrophobicContact CG-CG 4.34Å; K22-W28 HydrophobicContact CG-CH2 4.29Å; K22-W28 HydrophobicContact CG-CZ2 4.18Å; K22-W28 HydrophobicContact CG-CZ3 4.16Å; K22-A94 CarbonylContact O-C 3.55Å; K22-A94 VanDerWaalsContact O-CA 3.22Å; K22-A94 WeakPolarHBondContact O-CA 3.4Å; K22-A94 VanDerWaalsContact O-CB 3.24Å; K22-A94 WeakPolarHBondContact O-CB 3.2Å; K22-S95 PolarHBondContact N-O 2.88Å; K22-S95 PolarHBondContact O-N 3.12Å; K22-S95 VanDerWaalsContact O-O 3.14Å
23	D	92.3	Very high	87.5	Confident	22 Å²	22	60 Å²	60	12%	0.118	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	175.8	166.3	65.4	26.3	0	0	0	111.7	S25 G26 H27 K29 I93 A94	D23-S25 PolarHBondContact O-N 3.1Å; D23-S25 VanDerWaalsContact O-N 3.09Å; D23-S25 WeakPolarHBondContact OD1-CA 3.26Å; D23-S25 WeakPolarHBondContact OD1-CB 3.36Å; D23-S25 PolarHBondContact OD1-N 2.92Å; D23-S25 PolarHBondContact OD1-OG 2.73Å; D23-G26 WeakPolarHBondContact O-CA 3.45Å; D23-G26 PolarHBondContact O-N 3.34Å; D23-G26 PolarHBondContact OD1-N 3.46Å; D23-H27 PolarHBondContact N-O 2.91Å; D23-H27 PolarHBondContact OD1-N 3.44Å; D23-K29 HydrophobicContact CB-CD 4.24Å; D23-K29 WeakPolarHBondContact OD2-CE 3.45Å; D23-K29 IonicContact OD2-NZ 2.73Å; D23-K29 PolarHBondContact OD2-NZ 3.4Å; D23-I93 WeakPolarHBondContact CB-O 3.33Å; D23-A94 HydrophobicContact CB-CB 4.39Å
24	A	84.7	Confident	89.2	Confident	92 Å²	92	59.1 Å²	59.1	76%	0.76	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-22.5	-180	0	0	0	0	0	113.7	G26	A24-G26 VanDerWaalsContact C-N 3.3Å
25	S	88	Confident	90.6	Very high	80 Å²	80	61.8 Å²	61.8	56%	0.559	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	3	175.3	64.8	0	0	0	0	113.8	D23 H27	D23-S25 PolarHBondContact O-N 3.1Å; D23-S25 VanDerWaalsContact O-N 3.09Å; D23-S25 WeakPolarHBondContact OD1-CA 3.26Å; D23-S25 WeakPolarHBondContact OD1-CB 3.36Å; D23-S25 PolarHBondContact OD1-N 2.92Å; D23-S25 PolarHBondContact OD1-OG 2.73Å; S25-H27 VanDerWaalsContact C-N 3.29Å; S25-H27 PolarHBondContact O-N 3.27Å; S25-H27 PolarHBondContact OG-ND1 3.41Å
26	G	90.1	Very high	91.9	Very high	37 Å²	37	66.9 Å²	66.9	38%	0.381	34%	0.343	S	S	.	.	S	Bend	trans	81.1	3.1	-179.6	0	0	0	0	0	114.4	D23 A24	D23-G26 WeakPolarHBondContact O-CA 3.45Å; D23-G26 PolarHBondContact O-N 3.34Å; D23-G26 PolarHBondContact OD1-N 3.46Å; A24-G26 VanDerWaalsContact C-N 3.3Å
27	H	93.3	Very high	92.6	Very high	125 Å²	125	65.9 Å²	65.9	58%	0.579	33%	0.331	S	S	*	.			trans	-79.7	134.5	179.8	-66.6	106	0	0	0	111	K22 D23 S25 K29	K22-H27 WeakPolarHBondContact CA-O 3.35Å; D23-H27 PolarHBondContact N-O 2.91Å; D23-H27 PolarHBondContact OD1-N 3.44Å; S25-H27 VanDerWaalsContact C-N 3.29Å; S25-H27 PolarHBondContact O-N 3.27Å; S25-H27 PolarHBondContact OG-ND1 3.41Å; H27-K29 PolarHBondContact O-N 2.94Å
28	W	94.5	Very high	92.6	Very high	146 Å²	146	67.8 Å²	67.8	55%	0.553	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	125.7	176.9	-73.3	102.1	0	0	0	111.4	R20 V21 K22	R20-W28 HydrophobicContact CB-CE3 4.13Å; R20-W28 HydrophobicContact CB-CZ3 4.26Å; V21-W28 WeakPolarHBondContact O-CA 3.47Å; K22-W28 HydrophobicContact CD-CZ2 4.33Å; K22-W28 HydrophobicContact CG-CD2 3.81Å; K22-W28 HydrophobicContact CG-CE3 3.92Å; K22-W28 HydrophobicContact CG-CG 4.34Å; K22-W28 HydrophobicContact CG-CH2 4.29Å; K22-W28 HydrophobicContact CG-CZ2 4.18Å; K22-W28 HydrophobicContact CG-CZ3 4.16Å
29	K	94.4	Very high	92.1	Very high	78 Å²	78	69.2 Å²	69.2	34%	0.339	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	147.9	169.1	-70.4	-176.9	176.5	158.9	0	110.4	R20 V21 D23 H27 F31	R20-K29 WeakPolarHBondContact CA-O 3.44Å; V21-K29 PolarHBondContact N-O 3.43Å; V21-K29 VanDerWaalsContact N-O 3.13Å; V21-K29 PolarHBondContact O-N 2.98Å; D23-K29 HydrophobicContact CB-CD 4.24Å; D23-K29 WeakPolarHBondContact OD2-CE 3.45Å; D23-K29 IonicContact OD2-NZ 2.73Å; D23-K29 PolarHBondContact OD2-NZ 3.4Å; H27-K29 PolarHBondContact O-N 2.94Å; K29-F31 HydrophobicContact CB-CD2 4.36Å; K29-F31 HydrophobicContact CB-CE2 3.55Å; K29-F31 HydrophobicContact CB-CZ 3.95Å; K29-F31 HydrophobicContact CD-CZ 4.18Å
30	T	95.1	Very high	90.8	Very high	49 Å²	49	71.2 Å²	71.2	30%	0.301	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120	177.5	-54.7	0	0	0	0	109.3	A18 V19 R20 Y32	A18-T30 HydrophobicContact CB-CG2 4.24Å; V19-T30 CarbonylContact O-C 3.58Å; V19-T30 WeakPolarHBondContact O-CA 3.38Å; R20-T30 HydrophobicContact CG-CG2 4.15Å; T30-Y32 HydrophobicContact CG2-CE2 4.17Å
31	F	96.3	Very high	89.6	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.009	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	156.2	175.8	-58.8	-90.3	0	0	0	109.7	A18 V19 V21 K29 I48 D50 F57 A94 V114	A18-F31 CarbonylContact C-O 3.59Å; A18-F31 WeakPolarHBondContact CA-O 3.29Å; V19-F31 PolarHBondContact N-O 3.22Å; V19-F31 PolarHBondContact O-N 3.5Å; V21-F31 HydrophobicContact CG2-CD2 3.83Å; V21-F31 HydrophobicContact CG2-CE2 3.63Å; K29-F31 HydrophobicContact CB-CD2 4.36Å; K29-F31 HydrophobicContact CB-CE2 3.55Å; K29-F31 HydrophobicContact CB-CZ 3.95Å; K29-F31 HydrophobicContact CD-CZ 4.18Å; F31-I48 HydrophobicContact CB-CB 4.2Å; F31-I48 HydrophobicContact CB-CD1 3.64Å; F31-I48 HydrophobicContact CB-CG1 4.27Å; F31-I48 HydrophobicContact CD1-CD1 3.9Å; F31-I48 HydrophobicContact CD1-CG1 4.49Å; F31-I48 HydrophobicContact CD2-CD1 4.38Å; F31-I48 HydrophobicContact CG-CD1 3.72Å; F31-D50 HydrophobicContact CD1-CB 3.86Å; F31-D50 HydrophobicContact CE1-CB 3.84Å; F31-F57 HydrophobicContact CD1-CD2 4.13Å; F31-F57 AromaticContact CE1-CD2 3.82Å; F31-F57 HydrophobicContact CE1-CD2 3.82Å; F31-F57 HydrophobicContact CE1-CE2 4.03Å; F31-F57 HydrophobicContact CE1-CG 4.47Å; F31-A94 HydrophobicContact CE2-CB 4.29Å; F31-V114 HydrophobicContact CD1-CG1 4.29Å; F31-V114 HydrophobicContact CD2-CG2 3.95Å; F31-V114 HydrophobicContact CE1-CG1 3.86Å; F31-V114 HydrophobicContact CE2-CB 4.39Å; F31-V114 HydrophobicContact CE2-CG1 4.13Å; F31-V114 HydrophobicContact CE2-CG2 3.89Å; F31-V114 HydrophobicContact CZ-CB 4.45Å; F31-V114 HydrophobicContact CZ-CG1 3.77Å; F31-V114 HydrophobicContact CZ-CG2 4.39Å
32	Y	95.5	Very high	88.6	Confident	49 Å²	49	76.2 Å²	76.2	19%	0.192	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.1	-178.6	-61.4	-95.5	0	0	0	109.9	E17 A18 T30 R34 I48 F49 K51	E17-Y32 WeakPolarHBondContact O-CA 3.43Å; A18-Y32 HydrophobicContact CB-CD1 4.14Å; A18-Y32 HydrophobicContact CB-CE1 4.11Å; T30-Y32 HydrophobicContact CG2-CE2 4.17Å; Y32-R34 PolarHBondContact O-N 3.48Å; Y32-I48 CarbonylContact O-C 3.54Å; Y32-I48 VanDerWaalsContact O-CA 3.31Å; Y32-I48 WeakPolarHBondContact O-CA 3.38Å; Y32-F49 PolarHBondContact N-O 2.91Å; Y32-F49 PolarHBondContact O-N 3.3Å; Y32-K51 HydrophobicContact CD2-CD 3.94Å; Y32-K51 HydrophobicContact CD2-CG 3.77Å; Y32-K51 HydrophobicContact CE2-CB 4.31Å; Y32-K51 HydrophobicContact CE2-CD 3.4Å; Y32-K51 VanDerWaalsContact CE2-CD 3.4Å; Y32-K51 HydrophobicContact CE2-CG 3.59Å; Y32-K51 VanDerWaalsContact CZ-NZ 3.31Å; Y32-K51 PolarHBondContact OH-NZ 3.25Å
33	V	94.8	Very high	88.2	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	123.5	179.9	-178	0	0	0	0	109.4	C15 S16 E17 V19 D46 I48 L59	C15-V33 WeakPolarHBondContact CA-O 3.36Å; C15-V33 WeakPolarHBondContact CB-O 3.36Å; S16-V33 PolarHBondContact N-O 3.2Å; S16-V33 VanDerWaalsContact N-O 3.08Å; E17-V33 HydrophobicContact CB-CB 4.11Å; E17-V33 HydrophobicContact CB-CG2 3.95Å; E17-V33 HydrophobicContact CG-CG2 4.49Å; E17-V33 PolarHBondContact O-N 3.17Å; V19-V33 HydrophobicContact CG2-CG2 3.66Å; V33-D46 HydrophobicContact CG1-CB 4.07Å; V33-I48 HydrophobicContact CB-CG2 4.45Å; V33-I48 HydrophobicContact CG2-CG2 3.97Å; V33-L59 HydrophobicContact CG2-CD2 4.47Å
34	R	91.8	Very high	88.2	Confident	67 Å²	67	76.8 Å²	76.8	25%	0.253	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-68.2	173.5	-67.3	-164.3	177.2	-164.6	2.8	110.3	Y32 L47 F49	Y32-R34 PolarHBondContact O-N 3.48Å; R34-L47 PolarHBondContact N-O 3.29Å; R34-F49 HydrophobicContact CG-CB 4.35Å
35	Y	92	Very high	88.7	Confident	114 Å²	114	74.1 Å²	74.1	45%	0.447	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	164.2	-179.2	56.9	-97.6	0	0	0	111.3	L37 L47	Y35-L37 HydrophobicContact CD2-CD2 4.45Å; Y35-L37 HydrophobicContact CE2-CD2 3.77Å; Y35-L47 HydrophobicContact CD1-CD2 4.45Å; Y35-L47 HydrophobicContact CD2-CB 4.48Å; Y35-L47 HydrophobicContact CE1-CD2 3.64Å; Y35-L47 HydrophobicContact CE2-CB 4.27Å; Y35-L47 HydrophobicContact CE2-CD2 4.19Å; Y35-L47 VanDerWaalsContact CZ-CD2 3.49Å; Y35-L47 PolarHBondContact O-N 3.42Å; Y35-L47 WeakPolarHBondContact OH-CD2 3.25Å
36	K	92.8	Very high	89	Confident	114 Å²	114	70.3 Å²	70.3	50%	0.496	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	129.9	178.1	-170.5	177.7	73.6	158.7	0	110.7	T39 R44 D46	K36-T39 WeakPolarHBondContact CD-OG1 3.46Å; K36-T39 WeakPolarHBondContact CE-OG1 3.34Å; K36-T39 PolarHBondContact NZ-OG1 3.26Å; K36-R44 HydrophobicContact CD-CG 4.15Å; K36-R44 HydrophobicContact CG-CG 4.12Å; K36-D46 WeakPolarHBondContact CA-OD1 3.3Å
37	L	90.5	Very high	89.3	Confident	62 Å²	62	68.9 Å²	68.9	33%	0.325	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-47.6	175.6	-71.4	170.3	0	0	0	111.5	Y35 I45 L47 Y117	Y35-L37 HydrophobicContact CD2-CD2 4.45Å; Y35-L37 HydrophobicContact CE2-CD2 3.77Å; L37-I45 HydrophobicContact CB-CB 4.37Å; L37-I45 HydrophobicContact CB-CG2 4.18Å; L37-I45 HydrophobicContact CD1-CG2 4.06Å; L37-I45 PolarHBondContact N-O 3.06Å; L37-L47 HydrophobicContact CD1-CB 3.89Å; L37-L47 HydrophobicContact CD1-CD1 4.24Å; L37-L47 HydrophobicContact CD2-CB 4.13Å; L37-L47 HydrophobicContact CG-CB 3.87Å; L37-Y117 HydrophobicContact CD1-CD2 4.05Å; L37-Y117 HydrophobicContact CD1-CE2 3.72Å; L37-Y117 HydrophobicContact CD2-CE2 4.26Å
38	D	87.5	Confident	89.5	Confident	106 Å²	106	62.9 Å²	62.9	57%	0.567	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153	163	-173.7	-155.6	-2.9	0	0	0	112.3	I45	D38-I45 HydrophobicContact CB-CB 4.22Å; D38-I45 HydrophobicContact CB-CG1 4.33Å; D38-I45 PolarHBondContact N-O 3.15Å; D38-I45 VanDerWaalsContact N-O 3.13Å; D38-I45 PolarHBondContact O-N 2.95Å
39	T	81.3	Confident	89.5	Confident	77 Å²	77	57 Å²	57	47%	0.472	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	108.3	174.9	-48.9	0	0	0	0	109.1	K36	K36-T39 WeakPolarHBondContact CD-OG1 3.46Å; K36-T39 WeakPolarHBondContact CE-OG1 3.34Å; K36-T39 PolarHBondContact NZ-OG1 3.26Å
40	G	66.5	Low	89.5	Confident	42 Å²	42	54.9 Å²	54.9	43%	0.433	29%	0.291	S	S	.	.			trans	-89.6	-179.6	167.6	0	0	0	0	0	111.7	F42 S43	G40-F42 VanDerWaalsContact C-N 3.34Å; G40-F42 PolarHBondContact O-N 3.02Å; G40-S43 WeakPolarHBondContact CA-O 3.49Å; G40-S43 PolarHBondContact N-O 3.31Å
41	G	69.6	Low	89.1	Confident	80 Å²	80	55.1 Å²	55.1	83%	0.825	29%	0.288	S	S	*	.	S	Bend	trans	-60.5	-38.5	-178.5	0	0	0	0	0	114.3
42	F	75.6	Confident	88.7	Confident	165 Å²	165	58.2 Å²	58.2	72%	0.724	32%	0.321	S	S	*	.	S	Bend	trans	-121.5	-3.5	-175.9	-55.4	-74.1	0	0	0	113.8	G40 L63	G40-F42 VanDerWaalsContact C-N 3.34Å; G40-F42 PolarHBondContact O-N 3.02Å; F42-L63 PolarHBondContact O-N 2.92Å
43	S	85.7	Confident	88.4	Confident	33 Å²	33	58.5 Å²	58.5	23%	0.231	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	152.8	-176.6	69.8	0	0	0	0	112.9	G40 R61	G40-S43 WeakPolarHBondContact CA-O 3.49Å; G40-S43 PolarHBondContact N-O 3.31Å; S43-R61 CarbonylContact C-O 3.58Å; S43-R61 WeakPolarHBondContact CA-O 3.47Å; S43-R61 VanDerWaalsContact CB-O 3.29Å; S43-R61 WeakPolarHBondContact CB-O 3.5Å
44	R	91.5	Very high	88.2	Confident	95 Å²	95	65.4 Å²	65.4	36%	0.358	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.8	174.7	173	179.2	163.9	-173.6	-8.4	109	K36 D46 R61	K36-R44 HydrophobicContact CD-CG 4.15Å; K36-R44 HydrophobicContact CG-CG 4.12Å; R44-D46 IonicContact CZ-OD1 3.73Å; R44-D46 IonicContact CZ-OD2 3.46Å; R44-D46 IonicContact NE-OD1 3.46Å; R44-D46 PolarHBondContact NE-OD1 3.14Å; R44-D46 IonicContact NE-OD2 3.66Å; R44-D46 PolarHBondContact NE-OD2 3.34Å; R44-D46 IonicContact NH2-OD1 3.16Å; R44-D46 PolarHBondContact NH2-OD1 2.78Å; R44-D46 IonicContact NH2-OD2 3.25Å; R44-D46 PolarHBondContact NH2-OD2 3.02Å; R44-R61 HydrophobicContact CB-CB 4.5Å; R44-R61 PolarHBondContact N-O 3.2Å; R44-R61 PolarHBondContact O-N 2.98Å
45	I	94.9	Very high	88.3	Confident	35 Å²	35	70.5 Å²	70.5	18%	0.179	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.8	174.8	-48.4	-56.9	0	0	0	109.2	L37 D38 A58 L59 K60	L37-I45 HydrophobicContact CB-CB 4.37Å; L37-I45 HydrophobicContact CB-CG2 4.18Å; L37-I45 HydrophobicContact CD1-CG2 4.06Å; L37-I45 PolarHBondContact N-O 3.06Å; D38-I45 HydrophobicContact CB-CB 4.22Å; D38-I45 HydrophobicContact CB-CG1 4.33Å; D38-I45 PolarHBondContact N-O 3.15Å; D38-I45 VanDerWaalsContact N-O 3.13Å; D38-I45 PolarHBondContact O-N 2.95Å; I45-A58 HydrophobicContact CG2-CB 4.13Å; I45-L59 CarbonylContact C-O 3.14Å; I45-L59 VanDerWaalsContact CA-O 3.32Å; I45-L59 WeakPolarHBondContact CA-O 3.49Å; I45-K60 HydrophobicContact CD1-CB 3.62Å; I45-K60 HydrophobicContact CD1-CD 4.3Å; I45-K60 HydrophobicContact CD1-CG 3.59Å
46	D	95.8	Very high	88.5	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.2	174.3	-65.9	-49.3	0	0	0	111.3	V33 K36 R44 I48 A58 L59 R61	V33-D46 HydrophobicContact CG1-CB 4.07Å; K36-D46 WeakPolarHBondContact CA-OD1 3.3Å; R44-D46 IonicContact CZ-OD1 3.73Å; R44-D46 IonicContact CZ-OD2 3.46Å; R44-D46 IonicContact NE-OD1 3.46Å; R44-D46 PolarHBondContact NE-OD1 3.14Å; R44-D46 IonicContact NE-OD2 3.66Å; R44-D46 PolarHBondContact NE-OD2 3.34Å; R44-D46 IonicContact NH2-OD1 3.16Å; R44-D46 PolarHBondContact NH2-OD1 2.78Å; R44-D46 IonicContact NH2-OD2 3.25Å; R44-D46 PolarHBondContact NH2-OD2 3.02Å; D46-I48 HydrophobicContact CB-CG2 4.29Å; D46-A58 CarbonylContact O-C 3.59Å; D46-A58 WeakPolarHBondContact O-CA 3.32Å; D46-L59 HydrophobicContact CB-CB 4.29Å; D46-L59 PolarHBondContact N-O 2.98Å; D46-L59 PolarHBondContact O-N 3.11Å; D46-R61 IonicContact OD2-CZ 2.72Å; D46-R61 IonicContact OD2-NE 3.9Å; D46-R61 PolarHBondContact OD2-NE 3.03Å; D46-R61 IonicContact OD2-NH2 3.45Å
47	L	96.4	Very high	88.7	Confident	7 Å²	7	62.7 Å²	62.7	4%	0.037	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	122.6	164.8	-173.1	70.6	0	0	0	108.6	R34 Y35 L37 Y117	R34-L47 PolarHBondContact N-O 3.29Å; Y35-L47 HydrophobicContact CD1-CD2 4.45Å; Y35-L47 HydrophobicContact CD2-CB 4.48Å; Y35-L47 HydrophobicContact CE1-CD2 3.64Å; Y35-L47 HydrophobicContact CE2-CB 4.27Å; Y35-L47 HydrophobicContact CE2-CD2 4.19Å; Y35-L47 VanDerWaalsContact CZ-CD2 3.49Å; Y35-L47 PolarHBondContact O-N 3.42Å; Y35-L47 WeakPolarHBondContact OH-CD2 3.25Å; L37-L47 HydrophobicContact CD1-CB 3.89Å; L37-L47 HydrophobicContact CD1-CD1 4.24Å; L37-L47 HydrophobicContact CD2-CB 4.13Å; L37-L47 HydrophobicContact CG-CB 3.87Å; L47-Y117 HydrophobicContact CD1-CD1 3.74Å; L47-Y117 HydrophobicContact CD1-CD2 3.88Å; L47-Y117 HydrophobicContact CD1-CE1 3.75Å; L47-Y117 HydrophobicContact CD1-CE2 3.91Å; L47-Y117 HydrophobicContact CD1-CG 3.8Å
48	I	96.7	Very high	89.1	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	157.9	178.6	65.4	169.5	0	0	0	110.8	F31 Y32 V33 D46 S56 F57 L59 V114	F31-I48 HydrophobicContact CB-CB 4.2Å; F31-I48 HydrophobicContact CB-CD1 3.64Å; F31-I48 HydrophobicContact CB-CG1 4.27Å; F31-I48 HydrophobicContact CD1-CD1 3.9Å; F31-I48 HydrophobicContact CD1-CG1 4.49Å; F31-I48 HydrophobicContact CD2-CD1 4.38Å; F31-I48 HydrophobicContact CG-CD1 3.72Å; Y32-I48 CarbonylContact O-C 3.54Å; Y32-I48 VanDerWaalsContact O-CA 3.31Å; Y32-I48 WeakPolarHBondContact O-CA 3.38Å; V33-I48 HydrophobicContact CB-CG2 4.45Å; V33-I48 HydrophobicContact CG2-CG2 3.97Å; D46-I48 HydrophobicContact CB-CG2 4.29Å; I48-S56 CarbonylContact O-C 3.57Å; I48-S56 VanDerWaalsContact O-CA 3.3Å; I48-S56 WeakPolarHBondContact O-CA 3.29Å; I48-F57 HydrophobicContact CD1-CB 4.14Å; I48-F57 HydrophobicContact CG1-CB 3.81Å; I48-F57 WeakPolarHBondContact CG1-O 3.43Å; I48-F57 PolarHBondContact N-O 3.26Å; I48-F57 PolarHBondContact O-N 3.35Å; I48-L59 HydrophobicContact CB-CB 4.45Å; I48-L59 HydrophobicContact CD1-CB 3.8Å; I48-L59 HydrophobicContact CG1-CB 4.13Å; I48-L59 HydrophobicContact CG2-CB 3.48Å; I48-L59 VanDerWaalsContact CG2-CB 3.48Å; I48-L59 HydrophobicContact CG2-CD2 3.91Å; I48-L59 HydrophobicContact CG2-CG 4.34Å; I48-V114 HydrophobicContact CD1-CB 4.21Å; I48-V114 HydrophobicContact CD1-CG1 3.64Å; I48-V114 HydrophobicContact CD1-CG2 3.68Å
49	F	95.3	Very high	89.5	Confident	22 Å²	22	55.3 Å²	55.3	10%	0.096	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.1	-177.2	-175.8	-103.2	0	0	0	111.1	L8 Y32 R34 K51 K54 R55	L8-F49 HydrophobicContact CD1-CE1 4.17Å; L8-F49 HydrophobicContact CD1-CZ 4.47Å; Y32-F49 PolarHBondContact N-O 2.91Å; Y32-F49 PolarHBondContact O-N 3.3Å; R34-F49 HydrophobicContact CG-CB 4.35Å; F49-K51 HydrophobicContact CD1-CG 4.25Å; F49-K51 HydrophobicContact CE1-CG 4.26Å; F49-K54 HydrophobicContact CE2-CB 4.45Å; F49-K54 VanDerWaalsContact CE2-O 3.29Å; F49-K54 WeakPolarHBondContact CE2-O 3.43Å; F49-K54 VanDerWaalsContact CZ-CA 3.46Å; F49-K54 HydrophobicContact CZ-CB 3.95Å; F49-K54 HydrophobicContact CZ-CG 4.44Å; F49-R55 WeakPolarHBondContact CD2-O 3.39Å
50	D	93.9	Very high	90.2	Very high	33 Å²	33	52.2 Å²	52.2	18%	0.176	30%	0.296	C	S	.	.			trans	-92.1	122.2	167.5	174.1	23.6	0	0	0	109.8	F31 G52 S53 K54 R55 F57	F31-D50 HydrophobicContact CD1-CB 3.86Å; F31-D50 HydrophobicContact CE1-CB 3.84Å; D50-G52 VanDerWaalsContact C-N 3.34Å; D50-G52 PolarHBondContact OD1-N 2.97Å; D50-S53 WeakPolarHBondContact CB-OG 3.27Å; D50-S53 WeakPolarHBondContact OD2-CB 3.42Å; D50-S53 PolarHBondContact OD2-N 2.87Å; D50-S53 PolarHBondContact OD2-OG 3.21Å; D50-K54 WeakPolarHBondContact O-CA 3.41Å; D50-K54 PolarHBondContact O-N 3.45Å; D50-R55 PolarHBondContact N-O 2.85Å; D50-F57 HydrophobicContact CB-CD2 4.3Å; D50-F57 HydrophobicContact CB-CE2 3.81Å
51	K	87.5	Confident	91.6	Very high	54 Å²	54	50.9 Å²	50.9	24%	0.235	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-31.5	177.8	-71.6	-175.8	-174.1	174.2	0	112.9	F6 Y32 F49	F6-K51 VanDerWaalsContact CB-NZ 3.3Å; F6-K51 WeakPolarHBondContact O-CE 3.37Å; F6-K51 PolarHBondContact O-NZ 3.28Å; Y32-K51 HydrophobicContact CD2-CD 3.94Å; Y32-K51 HydrophobicContact CD2-CG 3.77Å; Y32-K51 HydrophobicContact CE2-CB 4.31Å; Y32-K51 HydrophobicContact CE2-CD 3.4Å; Y32-K51 VanDerWaalsContact CE2-CD 3.4Å; Y32-K51 HydrophobicContact CE2-CG 3.59Å; Y32-K51 VanDerWaalsContact CZ-NZ 3.31Å; Y32-K51 PolarHBondContact OH-NZ 3.25Å; F49-K51 HydrophobicContact CD1-CG 4.25Å; F49-K51 HydrophobicContact CE1-CG 4.26Å
52	G	86.7	Confident	92.7	Very high	67 Å²	67	48 Å²	48	69%	0.691	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-59.3	-177.9	0	0	0	0	0	111.1	D50 K54	D50-G52 VanDerWaalsContact C-N 3.34Å; D50-G52 PolarHBondContact OD1-N 2.97Å; G52-K54 VanDerWaalsContact C-N 3.32Å; G52-K54 PolarHBondContact O-N 3.44Å
53	S	89.7	Confident	93.5	Very high	56 Å²	56	42.8 Å²	42.8	39%	0.392	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-12.1	178.9	63.8	0	0	0	0	114.5	D50 R55	D50-S53 WeakPolarHBondContact CB-OG 3.27Å; D50-S53 WeakPolarHBondContact OD2-CB 3.42Å; D50-S53 PolarHBondContact OD2-N 2.87Å; D50-S53 PolarHBondContact OD2-OG 3.21Å; S53-R55 PolarHBondContact O-N 3.39Å; S53-R55 PolarHBondContact OG-N 2.94Å
54	K	91	Very high	93.8	Very high	144 Å²	144	41.2 Å²	41.2	63%	0.626	21%	0.211	S	C	*	.			trans	55.4	27.3	-170.5	-56.4	-178.6	-178	176.3	0	113.5	F49 D50 G52	F49-K54 HydrophobicContact CE2-CB 4.45Å; F49-K54 VanDerWaalsContact CE2-O 3.29Å; F49-K54 WeakPolarHBondContact CE2-O 3.43Å; F49-K54 VanDerWaalsContact CZ-CA 3.46Å; F49-K54 HydrophobicContact CZ-CB 3.95Å; F49-K54 HydrophobicContact CZ-CG 4.44Å; D50-K54 WeakPolarHBondContact O-CA 3.41Å; D50-K54 PolarHBondContact O-N 3.45Å; G52-K54 VanDerWaalsContact C-N 3.32Å; G52-K54 PolarHBondContact O-N 3.44Å
55	R	94	Very high	93.8	Very high	174 Å²	174	40.5 Å²	40.5	66%	0.657	21%	0.212	S	C	*	.			trans	-102.6	152.3	179	-69.3	-179.3	170	-171.5	-4	111.3	F49 D50 S53 F57	F49-R55 WeakPolarHBondContact CD2-O 3.39Å; D50-R55 PolarHBondContact N-O 2.85Å; S53-R55 PolarHBondContact O-N 3.39Å; S53-R55 PolarHBondContact OG-N 2.94Å; R55-F57 HydrophobicContact CB-CE2 3.72Å; R55-F57 HydrophobicContact CB-CZ 3.84Å
56	S	95.9	Very high	93.7	Very high	43 Å²	43	40.8 Å²	40.8	30%	0.301	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	145	172.9	-53.3	0	0	0	0	110	I48	I48-S56 CarbonylContact O-C 3.57Å; I48-S56 VanDerWaalsContact O-CA 3.3Å; I48-S56 WeakPolarHBondContact O-CA 3.29Å
57	F	97.3	Very high	93.6	Very high	22 Å²	22	46.6 Å²	46.6	10%	0.096	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	163.6	-179.5	-59.9	-86.3	0	0	0	109.1	F31 I48 D50 R55 I93 V114 L115	F31-F57 HydrophobicContact CD1-CD2 4.13Å; F31-F57 AromaticContact CE1-CD2 3.82Å; F31-F57 HydrophobicContact CE1-CD2 3.82Å; F31-F57 HydrophobicContact CE1-CE2 4.03Å; F31-F57 HydrophobicContact CE1-CG 4.47Å; I48-F57 HydrophobicContact CD1-CB 4.14Å; I48-F57 HydrophobicContact CG1-CB 3.81Å; I48-F57 WeakPolarHBondContact CG1-O 3.43Å; I48-F57 PolarHBondContact N-O 3.26Å; I48-F57 PolarHBondContact O-N 3.35Å; D50-F57 HydrophobicContact CB-CD2 4.3Å; D50-F57 HydrophobicContact CB-CE2 3.81Å; R55-F57 HydrophobicContact CB-CE2 3.72Å; R55-F57 HydrophobicContact CB-CZ 3.84Å; F57-I93 HydrophobicContact CD1-CG1 3.84Å; F57-I93 HydrophobicContact CE1-CD1 4.32Å; F57-I93 HydrophobicContact CE1-CG1 3.79Å; F57-I93 HydrophobicContact CE1-CG2 4.49Å; F57-V114 HydrophobicContact CB-CG1 3.75Å; F57-V114 HydrophobicContact CD1-CG1 4.39Å; F57-V114 HydrophobicContact CG-CG1 4.04Å; F57-L115 WeakPolarHBondContact CA-O 3.45Å; F57-L115 VanDerWaalsContact CB-O 3.32Å; F57-L115 WeakPolarHBondContact CB-O 3.42Å
58	A	97.3	Very high	93.4	Very high	12 Å²	12	50.4 Å²	50.4	10%	0.099	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.9	170	0	0	0	0	0	108.8	I45 D46 V114 L115 Y117	I45-A58 HydrophobicContact CG2-CB 4.13Å; D46-A58 CarbonylContact O-C 3.59Å; D46-A58 WeakPolarHBondContact O-CA 3.32Å; A58-V114 CarbonylContact O-C 3.53Å; A58-V114 WeakPolarHBondContact O-CA 3.49Å; A58-L115 HydrophobicContact CB-CB 4.45Å; A58-L115 PolarHBondContact N-O 3.3Å; A58-L115 PolarHBondContact O-N 2.85Å; A58-Y117 HydrophobicContact CB-CD2 4.45Å
59	L	97.2	Very high	93.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	110.1	171	175.3	65.8	0	0	0	108.4	V19 V33 I45 D46 I48 R61 L112 L113 V114	V19-L59 HydrophobicContact CB-CD2 4.42Å; V19-L59 HydrophobicContact CG1-CD1 4.44Å; V19-L59 HydrophobicContact CG1-CD2 4.15Å; V19-L59 HydrophobicContact CG2-CD2 3.85Å; V33-L59 HydrophobicContact CG2-CD2 4.47Å; I45-L59 CarbonylContact C-O 3.14Å; I45-L59 VanDerWaalsContact CA-O 3.32Å; I45-L59 WeakPolarHBondContact CA-O 3.49Å; D46-L59 HydrophobicContact CB-CB 4.29Å; D46-L59 PolarHBondContact N-O 2.98Å; D46-L59 PolarHBondContact O-N 3.11Å; I48-L59 HydrophobicContact CB-CB 4.45Å; I48-L59 HydrophobicContact CD1-CB 3.8Å; I48-L59 HydrophobicContact CG1-CB 4.13Å; I48-L59 HydrophobicContact CG2-CB 3.48Å; I48-L59 VanDerWaalsContact CG2-CB 3.48Å; I48-L59 HydrophobicContact CG2-CD2 3.91Å; I48-L59 HydrophobicContact CG2-CG 4.34Å; L59-R61 HydrophobicContact CD2-CG 4.11Å; L59-R61 HydrophobicContact CG-CG 3.97Å; L59-L112 HydrophobicContact CD1-CB 4.06Å; L59-L112 HydrophobicContact CD1-CD2 4.28Å; L59-L113 CarbonylContact C-O 3.57Å; L59-L113 WeakPolarHBondContact CA-O 3.29Å; L59-V114 HydrophobicContact CD1-CG2 4.05Å
60	K	96	Very high	93.2	Very high	13 Å²	13	52.9 Å²	52.9	6%	0.057	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	121.5	167.3	-176.5	175.1	-176.1	-174.4	0	108.1	I45 I62 E76 L112 L113 L115 D185	I45-K60 HydrophobicContact CD1-CB 3.62Å; I45-K60 HydrophobicContact CD1-CD 4.3Å; I45-K60 HydrophobicContact CD1-CG 3.59Å; K60-I62 HydrophobicContact CD-CD1 4.47Å; K60-I62 HydrophobicContact CD-CG1 4.46Å; K60-I62 HydrophobicContact CG-CG1 4.16Å; K60-E76 IonicContact NZ-OE1 3.71Å; K60-E76 PolarHBondContact NZ-OE1 3Å; K60-E76 IonicContact NZ-OE2 3.36Å; K60-L112 WeakPolarHBondContact O-CA 3.28Å; K60-L113 HydrophobicContact CB-CB 4.32Å; K60-L113 PolarHBondContact N-O 3.14Å; K60-L113 PolarHBondContact O-N 3.44Å; K60-L115 HydrophobicContact CB-CD1 4.11Å; K60-D185 IonicContact NZ-OD1 2.84Å; K60-D185 PolarHBondContact NZ-OD1 2.96Å
61	R	94.9	Very high	93.3	Very high	14 Å²	14	54.9 Å²	54.9	5%	0.053	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119	173.3	-52.1	-174.2	174.3	-109.7	3.4	108.4	E17 S43 R44 D46 L59 E110 L112	E17-R61 IonicContact OE1-CZ 2.73Å; E17-R61 IonicContact OE1-NH1 2.79Å; E17-R61 PolarHBondContact OE1-NH1 3.39Å; E17-R61 IonicContact OE1-NH2 3.79Å; E17-R61 PolarHBondContact OE1-NH2 2.82Å; E17-R61 IonicContact OE2-CZ 2.82Å; E17-R61 IonicContact OE2-NH2 2.82Å; E17-R61 PolarHBondContact OE2-NH2 3.44Å; S43-R61 CarbonylContact C-O 3.58Å; S43-R61 WeakPolarHBondContact CA-O 3.47Å; S43-R61 VanDerWaalsContact CB-O 3.29Å; S43-R61 WeakPolarHBondContact CB-O 3.5Å; R44-R61 HydrophobicContact CB-CB 4.5Å; R44-R61 PolarHBondContact N-O 3.2Å; R44-R61 PolarHBondContact O-N 2.98Å; D46-R61 IonicContact OD2-CZ 2.72Å; D46-R61 IonicContact OD2-NE 3.9Å; D46-R61 PolarHBondContact OD2-NE 3.03Å; D46-R61 IonicContact OD2-NH2 3.45Å; L59-R61 HydrophobicContact CD2-CG 4.11Å; L59-R61 HydrophobicContact CG-CG 3.97Å; R61-E110 IonicContact NH1-OE1 3.68Å; R61-E110 PolarHBondContact NH1-OE1 2.92Å; R61-E110 IonicContact NH1-OE2 3.26Å; R61-E110 PolarHBondContact NH1-OE2 3.36Å; R61-L112 HydrophobicContact CB-CD2 4.03Å; R61-L112 HydrophobicContact CG-CD2 3.67Å
62	I	93.9	Very high	93.6	Very high	20 Å²	20	57.4 Å²	57.4	10%	0.103	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	115.4	176.6	-53.2	172.4	0	0	0	107.1	K60 A73 E110 V111 L113	K60-I62 HydrophobicContact CD-CD1 4.47Å; K60-I62 HydrophobicContact CD-CG1 4.46Å; K60-I62 HydrophobicContact CG-CG1 4.16Å; I62-A73 HydrophobicContact CB-CB 4.13Å; I62-A73 HydrophobicContact CD1-CB 4Å; I62-A73 HydrophobicContact CG2-CB 3.76Å; I62-E110 CarbonylContact O-C 3.38Å; I62-E110 VanDerWaalsContact O-CA 3.23Å; I62-E110 WeakPolarHBondContact O-CA 3.48Å; I62-V111 HydrophobicContact CB-CB 4.44Å; I62-V111 PolarHBondContact N-O 3.23Å; I62-V111 PolarHBondContact O-N 3.48Å; I62-L113 HydrophobicContact CD1-CD1 3.84Å; I62-L113 HydrophobicContact CG1-CD1 4.39Å
63	L	91.8	Very high	94	Very high	54 Å²	54	54.4 Å²	54.4	28%	0.283	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	131.3	176.4	-68.5	178	0	0	0	109.3	F42 A107 E110	F42-L63 PolarHBondContact O-N 2.92Å; L63-A107 HydrophobicContact CB-CB 4.41Å; L63-A107 HydrophobicContact CD2-CB 4.4Å; L63-E110 HydrophobicContact CD2-CB 4.11Å
64	C	92.9	Very high	94.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.5	-178.6	-55.1	0	0	0	0	109.2	D69 E70 A107 I108 S109	C64-D69 HydrophobicContact CB-CB 3.92Å; C64-E70 HydrophobicContact CB-CB 4Å; C64-E70 VanDerWaalsContact SG-CA 3.55Å; C64-A107 WeakPolarHBondContact O-CA 3.25Å; C64-I108 WeakPolarHBondContact O-CG1 3.37Å; C64-I108 PolarHBondContact O-N 2.93Å; C64-S109 WeakPolarHBondContact CB-OG 3.4Å; C64-S109 PolarHBondContact N-O 3.17Å; C64-S109 PolarHBondContact O-N 2.96Å
65	H	91.7	Very high	94.5	Very high	80 Å²	80	54 Å²	54	37%	0.37	27%	0.266	S	S	.	.	S	Bend	trans	-95.5	-18.2	178.9	-62.3	-78.3	0	0	0	112.1	D69 Q105 A107	H65-D69 WeakPolarHBondContact CA-OD2 3.04Å; H65-D69 WeakPolarHBondContact CB-OD2 3.49Å; H65-D69 PolarHBondContact N-OD2 3.46Å; H65-Q105 PolarHBondContact CE1-O 3.43Å; H65-Q105 PolarHBondContact ND1-O 2.72Å; H65-A107 WeakPolarHBondContact ND1-CA 3.5Å; H65-A107 PolarHBondContact ND1-N 3.15Å
66	S	92.2	Very high	94.6	Very high	42 Å²	42	46.8 Å²	46.8	29%	0.294	24%	0.24	S	C	.	.	S	Bend	trans	-131.2	169.2	175.8	84.3	0	0	0	0	111.6	D68 D69 E70	S66-D68 VanDerWaalsContact C-N 3.26Å; S66-D68 WeakPolarHBondContact OG-CB 3.5Å; S66-D68 PolarHBondContact OG-N 3.33Å; S66-D68 VanDerWaalsContact OG-N 3.14Å; S66-D69 PolarHBondContact N-OD2 2.78Å; S66-D69 PolarHBondContact OG-N 3.07Å; S66-D69 PolarHBondContact OG-OD1 2.78Å; S66-E70 PolarHBondContact O-N 3Å
67	K	92.6	Very high	94.6	Very high	121 Å²	121	44.8 Å²	44.8	53%	0.526	23%	0.226	S	C	.	.	H	α-helix	trans	-70.9	-22.4	170.1	-76.7	-60.6	-171.8	-173.1	0	113.2	E70 S71 I108	K67-E70 IonicContact NZ-OE1 3.87Å; K67-E70 PolarHBondContact NZ-OE1 3.1Å; K67-E70 IonicContact NZ-OE2 2.9Å; K67-E70 PolarHBondContact NZ-OE2 3.41Å; K67-S71 WeakPolarHBondContact O-CB 3.4Å; K67-S71 PolarHBondContact O-N 3.2Å; K67-I108 HydrophobicContact CD-CD1 4.13Å; K67-I108 HydrophobicContact CG-CD1 4.26Å
68	D	93.3	Very high	94.5	Very high	87 Å²	87	48 Å²	48	47%	0.465	24%	0.244	S	C	.	.	H	α-helix	trans	-70.1	-45.9	172.7	-173.4	62.4	0	0	0	110.6	S66 E70 S71 K72	S66-D68 VanDerWaalsContact C-N 3.26Å; S66-D68 WeakPolarHBondContact OG-CB 3.5Å; S66-D68 PolarHBondContact OG-N 3.33Å; S66-D68 VanDerWaalsContact OG-N 3.14Å; D68-E70 VanDerWaalsContact C-N 3.31Å; D68-E70 PolarHBondContact O-N 3.48Å; D68-S71 WeakPolarHBondContact O-CB 3.44Å; D68-S71 PolarHBondContact O-N 3.34Å; D68-S71 VanDerWaalsContact O-N 3.07Å; D68-K72 WeakPolarHBondContact O-CG 3.27Å; D68-K72 PolarHBondContact O-N 3.29Å; D68-K72 WeakPolarHBondContact OD2-CE 3.39Å; D68-K72 IonicContact OD2-NZ 3.33Å; D68-K72 PolarHBondContact OD2-NZ 2.84Å
69	D	92.8	Very high	94.4	Very high	53 Å²	53	49.5 Å²	49.5	28%	0.283	25%	0.248	S	C	.	.	H	α-helix	trans	-58.2	-44.6	175.6	-48.7	-7.4	0	0	0	110.9	C64 H65 S66 S71 K72 A73	C64-D69 HydrophobicContact CB-CB 3.92Å; H65-D69 WeakPolarHBondContact CA-OD2 3.04Å; H65-D69 WeakPolarHBondContact CB-OD2 3.49Å; H65-D69 PolarHBondContact N-OD2 3.46Å; S66-D69 PolarHBondContact N-OD2 2.78Å; S66-D69 PolarHBondContact OG-N 3.07Å; S66-D69 PolarHBondContact OG-OD1 2.78Å; D69-S71 VanDerWaalsContact C-N 3.31Å; D69-S71 PolarHBondContact O-N 2.86Å; D69-K72 PolarHBondContact O-N 2.85Å; D69-A73 VanDerWaalsContact O-CB 3.29Å; D69-A73 WeakPolarHBondContact O-CB 3.26Å; D69-A73 PolarHBondContact O-N 2.92Å
70	E	94.8	Very high	94.4	Very high	21 Å²	21	49.7 Å²	49.7	10%	0.098	25%	0.25	C	C	.	.	H	α-helix	trans	-60	-42.8	176.4	-173.4	-177.8	108.5	0	0	110.8	C64 S66 K67 D68 L74 L97 S109	C64-E70 HydrophobicContact CB-CB 4Å; C64-E70 VanDerWaalsContact SG-CA 3.55Å; S66-E70 PolarHBondContact O-N 3Å; K67-E70 IonicContact NZ-OE1 3.87Å; K67-E70 PolarHBondContact NZ-OE1 3.1Å; K67-E70 IonicContact NZ-OE2 2.9Å; K67-E70 PolarHBondContact NZ-OE2 3.41Å; D68-E70 VanDerWaalsContact C-N 3.31Å; D68-E70 PolarHBondContact O-N 3.48Å; E70-L74 HydrophobicContact CG-CD1 4.02Å; E70-L74 HydrophobicContact CG-CG 4.48Å; E70-L74 VanDerWaalsContact O-CB 3.29Å; E70-L74 WeakPolarHBondContact O-CB 3.47Å; E70-L74 WeakPolarHBondContact O-CG 3.4Å; E70-L74 PolarHBondContact O-N 3.04Å; E70-L97 HydrophobicContact CG-CD1 3.93Å; E70-S109 VanDerWaalsContact OE2-CB 3.29Å; E70-S109 WeakPolarHBondContact OE2-CB 3.41Å; E70-S109 PolarHBondContact OE2-OG 3.38Å
71	S	95.8	Very high	94.3	Very high	76 Å²	76	50.2 Å²	50.2	53%	0.531	26%	0.255	S	S	.	.	H	α-helix	trans	-64.1	-46.1	177.7	-167.2	0	0	0	0	112.1	K67 D68 D69 L74 K75	K67-S71 WeakPolarHBondContact O-CB 3.4Å; K67-S71 PolarHBondContact O-N 3.2Å; D68-S71 WeakPolarHBondContact O-CB 3.44Å; D68-S71 PolarHBondContact O-N 3.34Å; D68-S71 VanDerWaalsContact O-N 3.07Å; D69-S71 VanDerWaalsContact C-N 3.31Å; D69-S71 PolarHBondContact O-N 2.86Å; S71-L74 PolarHBondContact O-N 3.14Å; S71-K75 WeakPolarHBondContact O-CB 3.39Å; S71-K75 PolarHBondContact O-N 2.89Å
72	K	94.1	Very high	94.3	Very high	106 Å²	106	55.8 Å²	55.8	46%	0.461	29%	0.286	S	S	.	.	H	α-helix	trans	-61.1	-47.7	177	-71.2	173.9	176.6	165.3	0	111.5	D68 D69 K75 E76	D68-K72 WeakPolarHBondContact O-CG 3.27Å; D68-K72 PolarHBondContact O-N 3.29Å; D68-K72 WeakPolarHBondContact OD2-CE 3.39Å; D68-K72 IonicContact OD2-NZ 3.33Å; D68-K72 PolarHBondContact OD2-NZ 2.84Å; D69-K72 PolarHBondContact O-N 2.85Å; K72-K75 WeakPolarHBondContact O-CB 3.26Å; K72-K75 PolarHBondContact O-N 3.22Å; K72-E76 PolarHBondContact O-N 3.11Å
73	A	94.8	Very high	94.4	Very high	4 Å²	4	56.1 Å²	56.1	3%	0.033	29%	0.287	C	S	.	.	H	α-helix	trans	-65.8	-39.1	179.4	0	0	0	0	0	112.7	I62 D69 E76 A77 V111	I62-A73 HydrophobicContact CB-CB 4.13Å; I62-A73 HydrophobicContact CD1-CB 4Å; I62-A73 HydrophobicContact CG2-CB 3.76Å; D69-A73 VanDerWaalsContact O-CB 3.29Å; D69-A73 WeakPolarHBondContact O-CB 3.26Å; D69-A73 PolarHBondContact O-N 2.92Å; A73-E76 PolarHBondContact O-N 3.19Å; A73-A77 WeakPolarHBondContact O-CB 3.16Å; A73-A77 PolarHBondContact O-N 2.97Å; A73-V111 HydrophobicContact CB-CB 3.88Å; A73-V111 HydrophobicContact CB-CG1 4.39Å; A73-V111 HydrophobicContact CB-CG2 3.65Å
74	L	96	Very high	94.6	Very high	50 Å²	50	56.7 Å²	56.7	26%	0.262	29%	0.294	S	S	.	.	H	α-helix	trans	-67	-37.1	173.8	-74.8	174	0	0	0	112	E70 S71 A77 N78 L97 V111	E70-L74 HydrophobicContact CG-CD1 4.02Å; E70-L74 HydrophobicContact CG-CG 4.48Å; E70-L74 VanDerWaalsContact O-CB 3.29Å; E70-L74 WeakPolarHBondContact O-CB 3.47Å; E70-L74 WeakPolarHBondContact O-CG 3.4Å; E70-L74 PolarHBondContact O-N 3.04Å; S71-L74 PolarHBondContact O-N 3.14Å; L74-A77 PolarHBondContact O-N 2.99Å; L74-N78 VanDerWaalsContact O-CB 3.24Å; L74-N78 WeakPolarHBondContact O-CB 3.33Å; L74-N78 PolarHBondContact O-N 3.33Å; L74-N78 PolarHBondContact O-ND2 3.21Å; L74-N78 VanDerWaalsContact O-ND2 3.16Å; L74-L97 HydrophobicContact CD1-CD2 4.43Å; L74-L97 HydrophobicContact CD2-CB 4.34Å; L74-V111 HydrophobicContact CD2-CG1 4.23Å; L74-V111 HydrophobicContact CD2-CG2 3.92Å; L74-V111 HydrophobicContact CG-CG2 3.95Å
75	K	95.8	Very high	94.7	Very high	142 Å²	142	64 Å²	64	62%	0.617	33%	0.333	S	S	*	.	H	α-helix	trans	-61.7	-46.2	174.5	-174.6	-172.7	175	-166.4	0	110.9	S71 K72 N78 F79	S71-K75 WeakPolarHBondContact O-CB 3.39Å; S71-K75 PolarHBondContact O-N 2.89Å; K72-K75 WeakPolarHBondContact O-CB 3.26Å; K72-K75 PolarHBondContact O-N 3.22Å; K75-N78 PolarHBondContact O-N 3.48Å; K75-F79 WeakPolarHBondContact O-CB 3.42Å; K75-F79 PolarHBondContact O-N 3.12Å
76	E	95.4	Very high	95	Very high	22 Å²	22	62.2 Å²	62.2	10%	0.103	33%	0.325	C	S	.	.	H	α-helix	trans	-57.7	-52.2	173.7	-179.3	-171.6	159.8	0	0	111.2	K60 K72 A73 N78 F79 Q80	K60-E76 IonicContact NZ-OE1 3.71Å; K60-E76 PolarHBondContact NZ-OE1 3Å; K60-E76 IonicContact NZ-OE2 3.36Å; K72-E76 PolarHBondContact O-N 3.11Å; A73-E76 PolarHBondContact O-N 3.19Å; E76-N78 VanDerWaalsContact C-N 3.33Å; E76-N78 PolarHBondContact O-N 3.01Å; E76-F79 PolarHBondContact O-N 3.17Å; E76-Q80 PolarHBondContact O-N 3.1Å
77	A	95.6	Very high	95.3	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-60.5	-42.3	-178.9	0	0	0	0	0	112.4	A73 L74 S81 V111 L113	A73-A77 WeakPolarHBondContact O-CB 3.16Å; A73-A77 PolarHBondContact O-N 2.97Å; L74-A77 PolarHBondContact O-N 2.99Å; A77-S81 VanDerWaalsContact O-CB 3.24Å; A77-S81 WeakPolarHBondContact O-CB 3.19Å; A77-S81 PolarHBondContact O-N 3.32Å; A77-S81 PolarHBondContact O-OG 2.95Å; A77-V111 HydrophobicContact CB-CG1 3.84Å; A77-L113 HydrophobicContact CB-CD1 4.1Å; A77-L113 HydrophobicContact CB-CD2 3.99Å; A77-L113 HydrophobicContact CB-CG 3.88Å
78	N	95.3	Very high	95.6	Very high	89 Å²	89	58.4 Å²	58.4	48%	0.476	31%	0.311	S	S	.	.	H	α-helix	trans	-65.6	-44.6	176.8	-73.3	-25.1	0	0	0	110.9	L74 K75 E76 S81 N82	L74-N78 VanDerWaalsContact O-CB 3.24Å; L74-N78 WeakPolarHBondContact O-CB 3.33Å; L74-N78 PolarHBondContact O-N 3.33Å; L74-N78 PolarHBondContact O-ND2 3.21Å; L74-N78 VanDerWaalsContact O-ND2 3.16Å; K75-N78 PolarHBondContact O-N 3.48Å; E76-N78 VanDerWaalsContact C-N 3.33Å; E76-N78 PolarHBondContact O-N 3.01Å; N78-S81 PolarHBondContact O-N 2.83Å; N78-N82 PolarHBondContact O-N 3.17Å; N78-N82 PolarHBondContact O-ND2 3.43Å
79	F	96.4	Very high	95.9	Very high	44 Å²	44	54.5 Å²	54.5	19%	0.193	29%	0.29	C	S	.	.	H	α-helix	trans	-58.4	-54	177.1	-179	-97.8	0	0	0	110.9	K75 E76 S81 N82 L83 L156 L159 M163 F186 V189	K75-F79 WeakPolarHBondContact O-CB 3.42Å; K75-F79 PolarHBondContact O-N 3.12Å; E76-F79 PolarHBondContact O-N 3.17Å; F79-S81 VanDerWaalsContact C-N 3.32Å; F79-S81 PolarHBondContact O-N 3.18Å; F79-N82 PolarHBondContact O-N 3.47Å; F79-N82 VanDerWaalsContact O-N 3.12Å; F79-L83 HydrophobicContact CD1-CG 4.46Å; F79-L83 HydrophobicContact CE1-CD1 4.1Å; F79-L83 HydrophobicContact CE1-CD2 3.72Å; F79-L83 HydrophobicContact CE1-CG 4.07Å; F79-L83 HydrophobicContact CE2-CD2 4.46Å; F79-L83 HydrophobicContact CZ-CD2 3.68Å; F79-L83 HydrophobicContact CZ-CG 4.46Å; F79-L83 PolarHBondContact O-N 3.49Å; F79-L156 HydrophobicContact CE1-CD2 4.33Å; F79-L156 HydrophobicContact CZ-CD2 4.15Å; F79-L159 HydrophobicContact CE2-CD1 4.18Å; F79-L159 HydrophobicContact CZ-CD1 4.03Å; F79-M163 HydrophobicContact CE2-CE 4.08Å; F79-M163 HydrophobicContact CE2-CG 3.81Å; F79-M163 HydrophobicContact CZ-CB 4.29Å; F79-M163 HydrophobicContact CZ-CG 4.05Å; F79-F186 HydrophobicContact CD1-CB 3.76Å; F79-F186 HydrophobicContact CD1-CG 4.23Å; F79-F186 HydrophobicContact CE1-CB 4.04Å; F79-F186 HydrophobicContact CE1-CD1 4.06Å; F79-F186 HydrophobicContact CE1-CG 4.16Å; F79-V189 HydrophobicContact CD1-CB 4.37Å; F79-V189 HydrophobicContact CD1-CG1 4.22Å; F79-V189 HydrophobicContact CD1-CG2 4.41Å; F79-V189 HydrophobicContact CD2-CG1 4.34Å; F79-V189 HydrophobicContact CE1-CB 4.14Å; F79-V189 HydrophobicContact CE1-CG1 3.74Å; F79-V189 HydrophobicContact CE1-CG2 3.93Å; F79-V189 HydrophobicContact CE2-CG1 3.9Å; F79-V189 HydrophobicContact CG-CG1 4.5Å; F79-V189 HydrophobicContact CZ-CB 4.46Å; F79-V189 HydrophobicContact CZ-CG1 3.58Å; F79-V189 HydrophobicContact CZ-CG2 4.48Å
80	Q	96.3	Very high	96.1	Very high	5 Å²	5	52.1 Å²	52.1	2%	0.023	28%	0.278	C	S	.	.	H	α-helix	trans	-65.8	-33.2	-176.8	-164.3	177.7	2	0	0	113.1	E76 N82 L83 L90 C92 F186	E76-Q80 PolarHBondContact O-N 3.1Å; Q80-N82 PolarHBondContact O-N 3.2Å; Q80-L83 HydrophobicContact CG-CD1 4.27Å; Q80-L83 PolarHBondContact O-N 3.26Å; Q80-L90 PolarHBondContact NE2-O 2.81Å; Q80-C92 HydrophobicContact CB-CB 4.29Å; Q80-C92 HydrophobicContact CG-CB 3.83Å; Q80-F186 HydrophobicContact CB-CD2 4.09Å; Q80-F186 HydrophobicContact CG-CD2 3.55Å; Q80-F186 HydrophobicContact CG-CE2 3.81Å
81	S	94.8	Very high	96.2	Very high	24 Å²	24	53.1 Å²	53.1	17%	0.168	29%	0.286	C	S	.	.	H	α-helix	trans	-71.5	-18.8	177	-54.8	0	0	0	0	113.6	A77 N78 F79 C92	A77-S81 VanDerWaalsContact O-CB 3.24Å; A77-S81 WeakPolarHBondContact O-CB 3.19Å; A77-S81 PolarHBondContact O-N 3.32Å; A77-S81 PolarHBondContact O-OG 2.95Å; N78-S81 PolarHBondContact O-N 2.83Å; F79-S81 VanDerWaalsContact C-N 3.32Å; F79-S81 PolarHBondContact O-N 3.18Å; S81-C92 PolarHBondContact OG-SG 2.97Å
82	N	94.5	Very high	96.3	Very high	131 Å²	131	50.5 Å²	50.5	70%	0.701	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	2.8	179	-71.8	-71.2	0	0	0	113	N78 F79 Q80	N78-N82 PolarHBondContact O-N 3.17Å; N78-N82 PolarHBondContact O-ND2 3.43Å; F79-N82 PolarHBondContact O-N 3.47Å; F79-N82 VanDerWaalsContact O-N 3.12Å; Q80-N82 PolarHBondContact O-N 3.2Å
83	L	96.1	Very high	96.4	Very high	26 Å²	26	47.7 Å²	47.7	14%	0.136	26%	0.257	C	S	.	.	S	Bend	trans	-64.3	142.3	173.2	-76.2	175.9	0	0	0	110.5	F79 Q80 L89 L156 L159 F186	F79-L83 HydrophobicContact CD1-CG 4.46Å; F79-L83 HydrophobicContact CE1-CD1 4.1Å; F79-L83 HydrophobicContact CE1-CD2 3.72Å; F79-L83 HydrophobicContact CE1-CG 4.07Å; F79-L83 HydrophobicContact CE2-CD2 4.46Å; F79-L83 HydrophobicContact CZ-CD2 3.68Å; F79-L83 HydrophobicContact CZ-CG 4.46Å; F79-L83 PolarHBondContact O-N 3.49Å; Q80-L83 HydrophobicContact CG-CD1 4.27Å; Q80-L83 PolarHBondContact O-N 3.26Å; L83-L89 HydrophobicContact CD1-CD1 4.47Å; L83-L89 HydrophobicContact CD2-CD1 4.37Å; L83-L156 HydrophobicContact CD2-CD2 3.71Å; L83-L159 HydrophobicContact CD2-CD1 4.04Å; L83-F186 HydrophobicContact CD1-CD1 4.28Å; L83-F186 HydrophobicContact CD1-CD2 4.05Å; L83-F186 HydrophobicContact CD1-CE1 3.97Å; L83-F186 HydrophobicContact CD1-CE2 3.72Å; L83-F186 HydrophobicContact CD1-CG 4.31Å; L83-F186 HydrophobicContact CD1-CZ 3.67Å
84	P	94.8	Very high	96.5	Very high	66 Å²	66	47.6 Å²	47.6	43%	0.429	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-63.4	151.5	171	28.8	-34.6	0	0	0	110.3	H86 L159	P84-H86 PolarHBondContact O-N 3.08Å; P84-L159 HydrophobicContact CG-CD2 4.02Å
85	D	96.2	Very high	96.5	Very high	153 Å²	153	46.5 Å²	46.5	82%	0.818	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-63.8	122.3	171.6	-169.7	27.9	0	0	0	109.3
86	H	98.3	Very high	96.5	Very high	44 Å²	44	40.7 Å²	40.7	20%	0.204	23%	0.233	C	C	.	.			trans	-147.4	135.9	-176.3	-170.3	-93.4	0	0	0	110	P84 N88 L89 D151	P84-H86 PolarHBondContact O-N 3.08Å; H86-N88 PolarHBondContact ND1-N 3.44Å; H86-N88 PolarHBondContact O-N 3.25Å; H86-L89 HydrophobicContact CB-CB 4.12Å; H86-L89 HydrophobicContact CB-CD1 3.97Å; H86-L89 HydrophobicContact CB-CG 3.98Å; H86-L89 PolarHBondContact O-N 2.72Å; H86-D151 PolarHBondContact CE1-O 3.37Å
87	P	98.1	Very high	96.5	Very high	72 Å²	72	42.9 Å²	42.9	47%	0.468	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-10.3	-178	26	-36.6	0	0	0	114.1	R180	P87-R180 WeakPolarHBondContact O-CD 3.42Å; P87-R180 PolarHBondContact O-NH1 2.75Å
88	N	98.7	Very high	96.4	Very high	11 Å²	11	45.8 Å²	45.8	6%	0.059	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	13.1	179.5	-53.3	99.8	0	0	0	113.9	H86 G148 P181 L183	H86-N88 PolarHBondContact ND1-N 3.44Å; H86-N88 PolarHBondContact O-N 3.25Å; N88-G148 WeakPolarHBondContact CB-O 3.16Å; N88-G148 WeakPolarHBondContact ND2-CA 3.24Å; N88-G148 PolarHBondContact ND2-O 3.36Å; N88-P181 PolarHBondContact ND2-O 3.37Å; N88-L183 PolarHBondContact O-N 3.44Å
89	L	98.6	Very high	96	Very high	4 Å²	4	48 Å²	48	2%	0.021	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-119.5	135	172.4	-60.8	179.7	0	0	0	109.7	L83 H86 P91 A155 L156 V182 L183 F186	L83-L89 HydrophobicContact CD1-CD1 4.47Å; L83-L89 HydrophobicContact CD2-CD1 4.37Å; H86-L89 HydrophobicContact CB-CB 4.12Å; H86-L89 HydrophobicContact CB-CD1 3.97Å; H86-L89 HydrophobicContact CB-CG 3.98Å; H86-L89 PolarHBondContact O-N 2.72Å; L89-P91 WeakPolarHBondContact O-CD 3.37Å; L89-A155 HydrophobicContact CD1-CB 3.94Å; L89-L156 HydrophobicContact CD1-CD2 4.13Å; L89-L156 HydrophobicContact CD2-CD2 4.14Å; L89-L156 HydrophobicContact CD2-CG 4.12Å; L89-V182 VanDerWaalsContact C-CG1 3.47Å; L89-L183 HydrophobicContact CD2-CB 4.17Å; L89-L183 HydrophobicContact CD2-CD1 4.12Å; L89-F186 HydrophobicContact CB-CZ 4.41Å; L89-F186 HydrophobicContact CD2-CE1 4.09Å; L89-F186 HydrophobicContact CD2-CZ 4.05Å
90	L	98.1	Very high	95.3	Very high	4 Å²	4	48 Å²	48	2%	0.021	27%	0.269	C	S	.	.			trans	-70	114.7	-175.6	-176.6	63.5	0	0	0	111.5	Q80 C92 L115 S116 L174 F176 V182 L183 M184 F186	Q80-L90 PolarHBondContact NE2-O 2.81Å; L90-C92 PolarHBondContact O-N 3.49Å; L90-L115 HydrophobicContact CD2-CB 4.1Å; L90-L115 HydrophobicContact CD2-CD1 3.85Å; L90-L115 HydrophobicContact CD2-CG 4.41Å; L90-L115 HydrophobicContact CG-CB 4.38Å; L90-S116 WeakPolarHBondContact CD1-O 3.41Å; L90-L174 HydrophobicContact CD1-CD1 3.86Å; L90-L174 HydrophobicContact CD2-CD1 3.86Å; L90-L174 HydrophobicContact CG-CD1 4.47Å; L90-F176 HydrophobicContact CD1-CE2 4.19Å; L90-F176 HydrophobicContact CD1-CZ 4.04Å; L90-V182 VanDerWaalsContact CA-CG1 3.45Å; L90-V182 HydrophobicContact CB-CG1 3.83Å; L90-V182 HydrophobicContact CD1-CG1 4.15Å; L90-V182 VanDerWaalsContact N-CG1 3.31Å; L90-L183 WeakPolarHBondContact CB-O 3.29Å; L90-L183 PolarHBondContact N-O 2.93Å; L90-M184 HydrophobicContact CB-CB 4.15Å; L90-M184 HydrophobicContact CD2-CB 3.63Å; L90-F186 HydrophobicContact CB-CE2 4.45Å
91	P	97	Very high	94	Very high	42 Å²	42	53.7 Å²	53.7	27%	0.273	31%	0.31	S	S	.	.			trans	-67.7	131.4	-178	-21.5	34.6	0	0	0	112.1	L89 I93 L115 S116	L89-P91 WeakPolarHBondContact O-CD 3.37Å; P91-I93 HydrophobicContact CB-CD1 4.14Å; P91-L115 WeakPolarHBondContact O-CA 3.46Å; P91-S116 PolarHBondContact O-N 2.91Å; P91-S116 VanDerWaalsContact O-N 3.09Å
92	C	97	Very high	92.6	Very high	20 Å²	20	61.2 Å²	61.2	14%	0.135	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	117.7	166.3	-178	0	0	0	0	109.7	Q80 S81 L90 L115	Q80-C92 HydrophobicContact CB-CB 4.29Å; Q80-C92 HydrophobicContact CG-CB 3.83Å; S81-C92 PolarHBondContact OG-SG 2.97Å; L90-C92 PolarHBondContact O-N 3.49Å; C92-L115 HydrophobicContact CB-CD2 3.8Å
93	I	96	Very high	90.9	Very high	48 Å²	48	64 Å²	64	25%	0.246	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-34.9	-172.8	-47.9	-55.8	0	0	0	111.5	D23 F57 P91 V114	D23-I93 WeakPolarHBondContact CB-O 3.33Å; F57-I93 HydrophobicContact CD1-CG1 3.84Å; F57-I93 HydrophobicContact CE1-CD1 4.32Å; F57-I93 HydrophobicContact CE1-CG1 3.79Å; F57-I93 HydrophobicContact CE1-CG2 4.49Å; P91-I93 HydrophobicContact CB-CD1 4.14Å; I93-V114 HydrophobicContact CB-CG1 4.18Å; I93-V114 WeakPolarHBondContact CB-O 3.38Å; I93-V114 PolarHBondContact N-O 3.47Å
94	A	96.7	Very high	89	Confident	2 Å²	2	69.1 Å²	69.1	2%	0.017	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	154.7	-178.4	0	0	0	0	0	110.4	V21 K22 D23 F31 V114	V21-A94 HydrophobicContact CB-CB 4.26Å; V21-A94 HydrophobicContact CG2-CB 3.54Å; K22-A94 CarbonylContact O-C 3.55Å; K22-A94 VanDerWaalsContact O-CA 3.22Å; K22-A94 WeakPolarHBondContact O-CA 3.4Å; K22-A94 VanDerWaalsContact O-CB 3.24Å; K22-A94 WeakPolarHBondContact O-CB 3.2Å; D23-A94 HydrophobicContact CB-CB 4.39Å; F31-A94 HydrophobicContact CE2-CB 4.29Å; A94-V114 HydrophobicContact CB-CB 4.21Å; A94-V114 HydrophobicContact CB-CG2 4.37Å; A94-V114 PolarHBondContact O-N 3.37Å
95	S	97.1	Very high	87.7	Confident	26 Å²	26	73.8 Å²	73.8	18%	0.182	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	165.6	175.8	64.5	0	0	0	0	111.9	V21 K22 L112	V21-S95 WeakPolarHBondContact CB-O 3.27Å; K22-S95 PolarHBondContact N-O 2.88Å; K22-S95 PolarHBondContact O-N 3.12Å; K22-S95 VanDerWaalsContact O-O 3.14Å; S95-L112 CarbonylContact C-O 3.55Å; S95-L112 WeakPolarHBondContact CA-O 3.29Å; S95-L112 WeakPolarHBondContact CB-O 3.45Å
96	G	95.9	Very high	86.8	Confident	21 Å²	21	68.4 Å²	68.4	22%	0.216	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	158.3	177.2	0	0	0	0	0	113.4	L112	G96-L112 PolarHBondContact N-O 3.07Å; G96-L112 PolarHBondContact O-N 2.9Å
97	L	95.3	Very high	86	Confident	68 Å²	68	66.4 Å²	66.4	36%	0.356	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.9	172	177.8	67.8	0	0	0	108.6	E70 L74 V111	E70-L97 HydrophobicContact CG-CD1 3.93Å; L74-L97 HydrophobicContact CD1-CD2 4.43Å; L74-L97 HydrophobicContact CD2-CB 4.34Å; L97-V111 HydrophobicContact CD1-CG2 3.92Å
98	Q	92.4	Very high	85.6	Confident	61 Å²	61	65.4 Å²	65.4	29%	0.285	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	142	172.6	-57.6	-169.3	8.1	0	0	110.4	S109 E110 L112	Q98-S109 CarbonylContact O-C 3.6Å; Q98-S109 WeakPolarHBondContact O-CA 3.21Å; Q98-S109 WeakPolarHBondContact O-CB 3.4Å; Q98-E110 HydrophobicContact CB-CG 3.85Å; Q98-E110 PolarHBondContact N-O 2.9Å; Q98-E110 PolarHBondContact O-N 3.28Å; Q98-E110 PolarHBondContact OE1-OE1 3.46Å; Q98-L112 VanDerWaalsContact CD-CD1 3.49Å; Q98-L112 HydrophobicContact CG-CD1 3.85Å
99	H	87.6	Confident	85.3	Confident	136 Å²	136	64.9 Å²	64.9	63%	0.63	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	125.9	172.2	-70.3	-62.3	0	0	0	109.7	S101	H99-S101 PolarHBondContact O-N 2.84Å
100	V	81.9	Confident	85	Confident	45 Å²	45	65.7 Å²	65.7	27%	0.273	34%	0.337	S	S	.	.			trans	-85.5	111.3	-178.8	-167.2	0	0	0	0	108.1	R102 I108 E110	V100-R102 WeakPolarHBondContact CG1-O 3.21Å; V100-I108 PolarHBondContact N-O 2.64Å; V100-E110 HydrophobicContact CG2-CB 4.15Å; V100-E110 HydrophobicContact CG2-CG 4.1Å
101	S	68	Low	84.9	Confident	124 Å²	124	65.5 Å²	65.5	87%	0.867	34%	0.336	S	S	*	.	S	Bend	trans	-74.8	-32.3	-172.6	40.9	0	0	0	0	113.3	H99	H99-S101 PolarHBondContact O-N 2.84Å
102	R	65.4	Low	84.9	Confident	181 Å²	181	63.5 Å²	63.5	68%	0.683	32%	0.323	S	S	*	.	S	Bend	trans	-96.2	115.2	166.2	-71.2	-176.4	-178	-169.7	-0.3	107.7	V100 E104	V100-R102 WeakPolarHBondContact CG1-O 3.21Å; R102-E104 HydrophobicContact CB-CG 4.18Å; R102-E104 IonicContact NH1-OE1 2.91Å; R102-E104 PolarHBondContact O-N 3.01Å
103	R	60.6	Low	84.9	Confident	191 Å²	191	62.6 Å²	62.6	72%	0.721	32%	0.317	S	S	*	.			trans	-67.5	45.3	170.5	-60.6	-176.7	-178.3	177.8	-1	111.6	Q105 G106	R103-Q105 PolarHBondContact O-N 3.3Å; R103-Q105 VanDerWaalsContact O-N 3.11Å; R103-G106 PolarHBondContact O-N 2.79Å
104	E	56.3	Low	85	Confident	133 Å²	133	60.3 Å²	60.3	62%	0.621	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-53.8	121.2	167.4	-78.7	178	-165.5	0	0	106.2	R102 G106	R102-E104 HydrophobicContact CB-CG 4.18Å; R102-E104 IonicContact NH1-OE1 2.91Å; R102-E104 PolarHBondContact O-N 3.01Å; E104-G106 PolarHBondContact O-N 3.14Å
105	Q	67.4	Low	85	Confident	164 Å²	164	60.6 Å²	60.6	77%	0.766	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	64	16.1	-174.9	-52.8	174	-24.6	0	0	115.7	H65 R103 A107	H65-Q105 PolarHBondContact CE1-O 3.43Å; H65-Q105 PolarHBondContact ND1-O 2.72Å; R103-Q105 PolarHBondContact O-N 3.3Å; R103-Q105 VanDerWaalsContact O-N 3.11Å; Q105-A107 VanDerWaalsContact C-N 3.32Å; Q105-A107 PolarHBondContact O-N 2.57Å
106	G	76.6	Confident	85	Confident	40 Å²	40	60.6 Å²	60.6	41%	0.412	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	80	3.6	175.1	0	0	0	0	0	115.5	R103 E104	R103-G106 PolarHBondContact O-N 2.79Å; E104-G106 PolarHBondContact O-N 3.14Å
107	A	82.3	Confident	85.1	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.008	31%	0.307	C	S	.	.			trans	-66.1	145.8	176.7	0	0	0	0	0	111.8	L63 C64 H65 Q105	L63-A107 HydrophobicContact CB-CB 4.41Å; L63-A107 HydrophobicContact CD2-CB 4.4Å; C64-A107 WeakPolarHBondContact O-CA 3.25Å; H65-A107 WeakPolarHBondContact ND1-CA 3.5Å; H65-A107 PolarHBondContact ND1-N 3.15Å; Q105-A107 VanDerWaalsContact C-N 3.32Å; Q105-A107 PolarHBondContact O-N 2.57Å
108	I	88.1	Confident	85.1	Confident	51 Å²	51	59.5 Å²	59.5	26%	0.262	29%	0.293	S	S	.	.			trans	-108.1	-25.6	179.1	62.3	169.1	0	0	0	112.9	C64 K67 V100	C64-I108 WeakPolarHBondContact O-CG1 3.37Å; C64-I108 PolarHBondContact O-N 2.93Å; K67-I108 HydrophobicContact CD-CD1 4.13Å; K67-I108 HydrophobicContact CG-CD1 4.26Å; V100-I108 PolarHBondContact N-O 2.64Å
109	S	93	Very high	85.2	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	164.1	-179.8	51.9	0	0	0	0	110.8	C64 E70 Q98	C64-S109 WeakPolarHBondContact CB-OG 3.4Å; C64-S109 PolarHBondContact N-O 3.17Å; C64-S109 PolarHBondContact O-N 2.96Å; E70-S109 VanDerWaalsContact OE2-CB 3.29Å; E70-S109 WeakPolarHBondContact OE2-CB 3.41Å; E70-S109 PolarHBondContact OE2-OG 3.38Å; Q98-S109 CarbonylContact O-C 3.6Å; Q98-S109 WeakPolarHBondContact O-CA 3.21Å; Q98-S109 WeakPolarHBondContact O-CB 3.4Å
110	E	93	Very high	85.5	Confident	22 Å²	22	64.4 Å²	64.4	10%	0.103	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136.2	168.8	63.5	172.7	-174.4	0	0	110.3	R61 I62 L63 Q98 V100 L112	R61-E110 IonicContact NH1-OE1 3.68Å; R61-E110 PolarHBondContact NH1-OE1 2.92Å; R61-E110 IonicContact NH1-OE2 3.26Å; R61-E110 PolarHBondContact NH1-OE2 3.36Å; I62-E110 CarbonylContact O-C 3.38Å; I62-E110 VanDerWaalsContact O-CA 3.23Å; I62-E110 WeakPolarHBondContact O-CA 3.48Å; L63-E110 HydrophobicContact CD2-CB 4.11Å; Q98-E110 HydrophobicContact CB-CG 3.85Å; Q98-E110 PolarHBondContact N-O 2.9Å; Q98-E110 PolarHBondContact O-N 3.28Å; Q98-E110 PolarHBondContact OE1-OE1 3.46Å; V100-E110 HydrophobicContact CG2-CB 4.15Å; V100-E110 HydrophobicContact CG2-CG 4.1Å; E110-L112 HydrophobicContact CG-CD2 4.11Å; E110-L112 HydrophobicContact CG-CG 4.41Å
111	V	95.9	Very high	86.2	Confident	0 Å²	0	63 Å²	63	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.6	169.5	-179.4	0	0	0	0	108.5	I62 A73 L74 A77 L97 L113	I62-V111 HydrophobicContact CB-CB 4.44Å; I62-V111 PolarHBondContact N-O 3.23Å; I62-V111 PolarHBondContact O-N 3.48Å; A73-V111 HydrophobicContact CB-CB 3.88Å; A73-V111 HydrophobicContact CB-CG1 4.39Å; A73-V111 HydrophobicContact CB-CG2 3.65Å; L74-V111 HydrophobicContact CD2-CG1 4.23Å; L74-V111 HydrophobicContact CD2-CG2 3.92Å; L74-V111 HydrophobicContact CG-CG2 3.95Å; A77-V111 HydrophobicContact CB-CG1 3.84Å; L97-V111 HydrophobicContact CD1-CG2 3.92Å; V111-L113 HydrophobicContact CG1-CD1 4.03Å
112	L	96.9	Very high	87.6	Confident	0 Å²	0	59 Å²	59	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.8	-174.9	-59.4	-177.1	0	0	0	109.9	V19 V21 L59 K60 R61 S95 G96 Q98 E110	V19-L112 HydrophobicContact CG1-CD1 3.8Å; V21-L112 HydrophobicContact CG1-CB 3.94Å; V21-L112 HydrophobicContact CG1-CD1 4Å; L59-L112 HydrophobicContact CD1-CB 4.06Å; L59-L112 HydrophobicContact CD1-CD2 4.28Å; K60-L112 WeakPolarHBondContact O-CA 3.28Å; R61-L112 HydrophobicContact CB-CD2 4.03Å; R61-L112 HydrophobicContact CG-CD2 3.67Å; S95-L112 CarbonylContact C-O 3.55Å; S95-L112 WeakPolarHBondContact CA-O 3.29Å; S95-L112 WeakPolarHBondContact CB-O 3.45Å; G96-L112 PolarHBondContact N-O 3.07Å; G96-L112 PolarHBondContact O-N 2.9Å; Q98-L112 VanDerWaalsContact CD-CD1 3.49Å; Q98-L112 HydrophobicContact CG-CD1 3.85Å; E110-L112 HydrophobicContact CG-CD2 4.11Å; E110-L112 HydrophobicContact CG-CG 4.41Å
113	L	97.3	Very high	89.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.4	172	-59.1	81.4	0	0	0	109.3	L59 K60 I62 A77 V111 L115	L59-L113 CarbonylContact C-O 3.57Å; L59-L113 WeakPolarHBondContact CA-O 3.29Å; K60-L113 HydrophobicContact CB-CB 4.32Å; K60-L113 PolarHBondContact N-O 3.14Å; K60-L113 PolarHBondContact O-N 3.44Å; I62-L113 HydrophobicContact CD1-CD1 3.84Å; I62-L113 HydrophobicContact CG1-CD1 4.39Å; A77-L113 HydrophobicContact CB-CD1 4.1Å; A77-L113 HydrophobicContact CB-CD2 3.99Å; A77-L113 HydrophobicContact CB-CG 3.88Å; V111-L113 HydrophobicContact CG1-CD1 4.03Å; L113-L115 HydrophobicContact CB-CD2 3.94Å; L113-L115 HydrophobicContact CB-CG 4.15Å; L113-L115 HydrophobicContact CD2-CD2 4.43Å
114	V	97.5	Very high	90.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	112.1	172.1	178.7	0	0	0	0	108.2	V21 F31 I48 F57 A58 L59 I93 A94	V21-V114 HydrophobicContact CG2-CG2 3.71Å; F31-V114 HydrophobicContact CD1-CG1 4.29Å; F31-V114 HydrophobicContact CD2-CG2 3.95Å; F31-V114 HydrophobicContact CE1-CG1 3.86Å; F31-V114 HydrophobicContact CE2-CB 4.39Å; F31-V114 HydrophobicContact CE2-CG1 4.13Å; F31-V114 HydrophobicContact CE2-CG2 3.89Å; F31-V114 HydrophobicContact CZ-CB 4.45Å; F31-V114 HydrophobicContact CZ-CG1 3.77Å; F31-V114 HydrophobicContact CZ-CG2 4.39Å; I48-V114 HydrophobicContact CD1-CB 4.21Å; I48-V114 HydrophobicContact CD1-CG1 3.64Å; I48-V114 HydrophobicContact CD1-CG2 3.68Å; F57-V114 HydrophobicContact CB-CG1 3.75Å; F57-V114 HydrophobicContact CD1-CG1 4.39Å; F57-V114 HydrophobicContact CG-CG1 4.04Å; A58-V114 CarbonylContact O-C 3.53Å; A58-V114 WeakPolarHBondContact O-CA 3.49Å; L59-V114 HydrophobicContact CD1-CG2 4.05Å; I93-V114 HydrophobicContact CB-CG1 4.18Å; I93-V114 WeakPolarHBondContact CB-O 3.38Å; I93-V114 PolarHBondContact N-O 3.47Å; A94-V114 HydrophobicContact CB-CB 4.21Å; A94-V114 HydrophobicContact CB-CG2 4.37Å; A94-V114 PolarHBondContact O-N 3.37Å
115	L	97.5	Very high	92.9	Very high	9 Å²	9	45.8 Å²	45.8	5%	0.047	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	154.1	-171.4	-53.4	176.9	0	0	0	110.6	F57 A58 K60 L90 P91 C92 L113 Y117	F57-L115 WeakPolarHBondContact CA-O 3.45Å; F57-L115 VanDerWaalsContact CB-O 3.32Å; F57-L115 WeakPolarHBondContact CB-O 3.42Å; A58-L115 HydrophobicContact CB-CB 4.45Å; A58-L115 PolarHBondContact N-O 3.3Å; A58-L115 PolarHBondContact O-N 2.85Å; K60-L115 HydrophobicContact CB-CD1 4.11Å; L90-L115 HydrophobicContact CD2-CB 4.1Å; L90-L115 HydrophobicContact CD2-CD1 3.85Å; L90-L115 HydrophobicContact CD2-CG 4.41Å; L90-L115 HydrophobicContact CG-CB 4.38Å; P91-L115 WeakPolarHBondContact O-CA 3.46Å; C92-L115 HydrophobicContact CB-CD2 3.8Å; L113-L115 HydrophobicContact CB-CD2 3.94Å; L113-L115 HydrophobicContact CB-CG 4.15Å; L113-L115 HydrophobicContact CD2-CD2 4.43Å; L115-Y117 PolarHBondContact O-N 3.07Å
116	S	97.1	Very high	94.3	Very high	26 Å²	26	39.6 Å²	39.6	18%	0.182	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	138.8	167.6	-71.6	0	0	0	0	111	L90 P91	L90-S116 WeakPolarHBondContact CD1-O 3.41Å; P91-S116 PolarHBondContact O-N 2.91Å; P91-S116 VanDerWaalsContact O-N 3.09Å
117	Y	96.9	Very high	95.3	Very high	57 Å²	57	37.7 Å²	37.7	22%	0.224	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-96.3	125.2	-177.1	171.9	-120.6	0	0	0	111.7	L37 L47 A58 L115 K119	L37-Y117 HydrophobicContact CD1-CD2 4.05Å; L37-Y117 HydrophobicContact CD1-CE2 3.72Å; L37-Y117 HydrophobicContact CD2-CE2 4.26Å; L47-Y117 HydrophobicContact CD1-CD1 3.74Å; L47-Y117 HydrophobicContact CD1-CD2 3.88Å; L47-Y117 HydrophobicContact CD1-CE1 3.75Å; L47-Y117 HydrophobicContact CD1-CE2 3.91Å; L47-Y117 HydrophobicContact CD1-CG 3.8Å; A58-Y117 HydrophobicContact CB-CD2 4.45Å; L115-Y117 PolarHBondContact O-N 3.07Å; Y117-K119 HydrophobicContact CD1-CG 4.14Å; Y117-K119 HydrophobicContact CE1-CB 4.38Å; Y117-K119 HydrophobicContact CE1-CG 3.53Å
118	S	96.1	Very high	96	Very high	9 Å²	9	41.8 Å²	41.8	6%	0.063	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-91.7	124.5	166.2	161.7	0	0	0	0	110.5	R120 G121 L175	S118-R120 PolarHBondContact OG-N 2.71Å; S118-G121 PolarHBondContact OG-N 3.31Å; S118-G121 PolarHBondContact OG-O 2.6Å; S118-L175 PolarHBondContact OG-O 3.09Å
119	K	94.4	Very high	96.4	Very high	170 Å²	170	43.5 Å²	43.5	74%	0.739	20%	0.2	S	C	*	.	S	Bend	trans	-73.6	-26.5	172.5	-70.7	177.1	-176.7	174.4	0	113.6	Y117	Y117-K119 HydrophobicContact CD1-CG 4.14Å; Y117-K119 HydrophobicContact CE1-CB 4.38Å; Y117-K119 HydrophobicContact CE1-CG 3.53Å
120	R	94.6	Very high	96.5	Very high	129 Å²	129	44.7 Å²	44.7	49%	0.487	20%	0.204	S	C	.	.	S	Bend	trans	-82	-21.2	-178.4	-64	180	168.3	-86.2	-0.5	112.1	S118 L175 F176	S118-R120 PolarHBondContact OG-N 2.71Å; R120-L175 HydrophobicContact CB-CB 4.01Å; R120-L175 WeakPolarHBondContact CB-O 3.47Å; R120-F176 WeakPolarHBondContact CD-O 3.49Å
121	G	95.4	Very high	96.5	Very high	17 Å²	17	46.2 Å²	46.2	18%	0.175	22%	0.217	C	C	.	.			trans	79.6	-153.3	-176.6	0	0	0	0	0	111.9	S118 L174 L175	S118-G121 PolarHBondContact OG-N 3.31Å; S118-G121 PolarHBondContact OG-O 2.6Å; G121-L174 WeakPolarHBondContact O-CA 3.46Å; G121-L175 PolarHBondContact O-N 3.04Å
122	T	97.3	Very high	96.5	Very high	38 Å²	38	50.5 Å²	50.5	23%	0.233	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-83.1	157.4	-174.1	60.7	0	0	0	0	112.5	Q124 R125 E126 G171 V173 L174	T122-Q124 PolarHBondContact O-N 2.98Å; T122-R125 WeakPolarHBondContact O-CB 3.36Å; T122-R125 PolarHBondContact O-N 3.5Å; T122-R125 PolarHBondContact OG1-N 2.83Å; T122-E126 PolarHBondContact O-N 3.44Å; T122-G171 VanDerWaalsContact CG2-O 3.27Å; T122-G171 WeakPolarHBondContact CG2-O 3.21Å; T122-V173 CarbonylContact C-O 3.56Å; T122-V173 VanDerWaalsContact CA-O 3.24Å; T122-V173 WeakPolarHBondContact CA-O 3.21Å; T122-L174 HydrophobicContact CG2-CD2 3.92Å
123	L	98.4	Very high	96.4	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-31.9	170.9	177.2	59	0	0	0	111.5	R125 E126 I127 F137 M145 P170 V173 L175 L243 L247	L123-R125 VanDerWaalsContact C-N 3.3Å; L123-R125 PolarHBondContact O-N 2.73Å; L123-E126 HydrophobicContact CD1-CB 4.41Å; L123-E126 PolarHBondContact O-N 3.37Å; L123-E126 VanDerWaalsContact O-N 3.16Å; L123-I127 HydrophobicContact CD1-CG1 4.35Å; L123-I127 HydrophobicContact CG-CD1 4.15Å; L123-I127 HydrophobicContact CG-CG1 4.41Å; L123-I127 WeakPolarHBondContact O-CG1 3.39Å; L123-I127 PolarHBondContact O-N 3.3Å; L123-F137 HydrophobicContact CD1-CE1 4.3Å; L123-F137 HydrophobicContact CD1-CZ 4Å; L123-M145 HydrophobicContact CD1-CE 4.31Å; L123-M145 HydrophobicContact CD1-SD 3.58Å; L123-M145 VanDerWaalsContact CD1-SD 3.58Å; L123-M145 HydrophobicContact CD2-SD 4.43Å; L123-P170 HydrophobicContact CB-CB 4.24Å; L123-P170 WeakPolarHBondContact CB-O 3.29Å; L123-P170 HydrophobicContact CD2-CB 4.37Å; L123-P170 HydrophobicContact CG-CB 4.1Å; L123-P170 PolarHBondContact N-O 2.96Å; L123-V173 HydrophobicContact CB-CB 3.99Å; L123-V173 HydrophobicContact CB-CG1 4.29Å; L123-V173 HydrophobicContact CD2-CB 4.36Å; L123-V173 HydrophobicContact CD2-CG1 4.41Å; L123-V173 PolarHBondContact N-O 2.82Å; L123-L175 HydrophobicContact CB-CD2 4.48Å; L123-L175 HydrophobicContact CB-CG 4.41Å; L123-L175 HydrophobicContact CD1-CD1 4.16Å; L123-L175 HydrophobicContact CD1-CD2 4.4Å; L123-L243 HydrophobicContact CD2-CD2 4.13Å; L123-L247 HydrophobicContact CD1-CD2 3.8Å; L123-L247 HydrophobicContact CD2-CD2 3.88Å; L123-L247 HydrophobicContact CG-CD2 4.2Å
124	Q	97.9	Very high	95.9	Very high	59 Å²	59	61.5 Å²	61.5	28%	0.276	30%	0.299	S	S	.	.	H	α-helix	trans	-55.3	-47.2	172.1	-173.6	63.3	57.7	0	0	111.4	T122 E126 I127 D128 P170	T122-Q124 PolarHBondContact O-N 2.98Å; Q124-E126 VanDerWaalsContact C-N 3.28Å; Q124-E126 PolarHBondContact O-N 3.08Å; Q124-I127 WeakPolarHBondContact O-CB 3.35Å; Q124-I127 PolarHBondContact O-N 3Å; Q124-D128 PolarHBondContact NE2-OD1 3.34Å; Q124-D128 PolarHBondContact O-N 3.41Å; Q124-P170 HydrophobicContact CB-CB 4Å; Q124-P170 PolarHBondContact N-O 3.17Å
125	R	96.8	Very high	95.6	Very high	170 Å²	170	64.8 Å²	64.8	64%	0.642	32%	0.316	S	S	*	.	H	α-helix	trans	-62.9	-36.9	179	-175.6	179.2	178.6	175.3	0.8	112.2	T122 L123 H129	T122-R125 WeakPolarHBondContact O-CB 3.36Å; T122-R125 PolarHBondContact O-N 3.5Å; T122-R125 PolarHBondContact OG1-N 2.83Å; L123-R125 VanDerWaalsContact C-N 3.3Å; L123-R125 PolarHBondContact O-N 2.73Å; R125-H129 WeakPolarHBondContact O-CB 3.37Å; R125-H129 PolarHBondContact O-N 3.34Å
126	E	97.7	Very high	95.2	Very high	33 Å²	33	65.6 Å²	65.6	15%	0.154	32%	0.32	C	S	.	.	H	α-helix	trans	-68	-42.8	175.8	-178.8	68.4	-172	0	0	111.5	T122 L123 Q124 H129 R130 F137 L175 M179	T122-E126 PolarHBondContact O-N 3.44Å; L123-E126 HydrophobicContact CD1-CB 4.41Å; L123-E126 PolarHBondContact O-N 3.37Å; L123-E126 VanDerWaalsContact O-N 3.16Å; Q124-E126 VanDerWaalsContact C-N 3.28Å; Q124-E126 PolarHBondContact O-N 3.08Å; E126-H129 PolarHBondContact O-N 3.44Å; E126-R130 WeakPolarHBondContact O-CB 3.2Å; E126-R130 WeakPolarHBondContact O-CG 3Å; E126-R130 PolarHBondContact O-N 2.65Å; E126-R130 IonicContact OE1-CZ 3.37Å; E126-R130 IonicContact OE1-NE 3.17Å; E126-R130 PolarHBondContact OE1-NE 2.89Å; E126-R130 IonicContact OE1-NH2 2.67Å; E126-R130 PolarHBondContact OE1-NH2 3.49Å; E126-F137 HydrophobicContact CB-CZ 4.36Å; E126-F137 HydrophobicContact CG-CE1 3.7Å; E126-F137 HydrophobicContact CG-CZ 3.61Å; E126-L175 HydrophobicContact CB-CD1 3.77Å; E126-L175 HydrophobicContact CG-CD1 4.05Å; E126-M179 HydrophobicContact CG-CE 4.05Å
127	I	97.6	Very high	94.9	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-57.6	-49	173.4	-73.5	171.9	0	0	0	110.3	L123 Q124 H129 R130 S131 F137 P170 A246 L247 F250	L123-I127 HydrophobicContact CD1-CG1 4.35Å; L123-I127 HydrophobicContact CG-CD1 4.15Å; L123-I127 HydrophobicContact CG-CG1 4.41Å; L123-I127 WeakPolarHBondContact O-CG1 3.39Å; L123-I127 PolarHBondContact O-N 3.3Å; Q124-I127 WeakPolarHBondContact O-CB 3.35Å; Q124-I127 PolarHBondContact O-N 3Å; I127-H129 PolarHBondContact O-N 3.17Å; I127-R130 PolarHBondContact O-N 2.96Å; I127-S131 VanDerWaalsContact O-CB 3.29Å; I127-S131 WeakPolarHBondContact O-CB 3.32Å; I127-S131 PolarHBondContact O-N 2.98Å; I127-F137 HydrophobicContact CG1-CE2 3.76Å; I127-F137 HydrophobicContact CG1-CZ 3.98Å; I127-P170 HydrophobicContact CD1-CB 3.67Å; I127-P170 HydrophobicContact CD1-CG 3.61Å; I127-A246 HydrophobicContact CD1-CB 4.19Å; I127-L247 HydrophobicContact CD1-CD2 4.33Å; I127-L247 HydrophobicContact CG1-CD2 4.45Å; I127-F250 HydrophobicContact CG2-CB 4.16Å; I127-F250 HydrophobicContact CG2-CD1 4.23Å; I127-F250 WeakPolarHBondContact CG2-O 3.48Å
128	D	97	Very high	94.6	Very high	87 Å²	87	63.7 Å²	63.7	47%	0.465	31%	0.314	S	S	.	.	H	α-helix	trans	-62.2	-44.9	-179.2	-61.6	-19.6	0	0	0	111.3	Q124 R130 S131 A132	Q124-D128 PolarHBondContact NE2-OD1 3.34Å; Q124-D128 PolarHBondContact O-N 3.41Å; D128-R130 VanDerWaalsContact C-N 3.35Å; D128-R130 PolarHBondContact O-N 3.48Å; D128-S131 PolarHBondContact O-N 3.34Å; D128-A132 WeakPolarHBondContact O-CB 3.38Å; D128-A132 PolarHBondContact O-N 2.89Å
129	H	96.2	Very high	94.3	Very high	86 Å²	86	63.8 Å²	63.8	40%	0.398	31%	0.314	S	S	.	.	H	α-helix	trans	-62.2	-41.5	178	171.7	-96	0	0	0	112.1	R125 E126 I127 R133	R125-H129 WeakPolarHBondContact O-CB 3.37Å; R125-H129 PolarHBondContact O-N 3.34Å; E126-H129 PolarHBondContact O-N 3.44Å; I127-H129 PolarHBondContact O-N 3.17Å; H129-R133 PolarHBondContact CE1-NH1 3.37Å; H129-R133 WeakPolarHBondContact NE2-CD 3.35Å; H129-R133 PolarHBondContact NE2-NH1 3.2Å; H129-R133 VanDerWaalsContact NE2-NH1 3.14Å; H129-R133 WeakPolarHBondContact O-CG 3.44Å
130	R	95.1	Very high	94.1	Very high	26 Å²	26	62.5 Å²	62.5	10%	0.098	31%	0.305	C	S	.	.	H	α-helix	trans	-70.6	-43.2	177.7	-82.3	178.6	-179.7	-82.8	-9.3	112.7	E126 I127 D128 A132 R133 N134 D135 M136 F137 F250	E126-R130 WeakPolarHBondContact O-CB 3.2Å; E126-R130 WeakPolarHBondContact O-CG 3Å; E126-R130 PolarHBondContact O-N 2.65Å; E126-R130 IonicContact OE1-CZ 3.37Å; E126-R130 IonicContact OE1-NE 3.17Å; E126-R130 PolarHBondContact OE1-NE 2.89Å; E126-R130 IonicContact OE1-NH2 2.67Å; E126-R130 PolarHBondContact OE1-NH2 3.49Å; I127-R130 PolarHBondContact O-N 2.96Å; D128-R130 VanDerWaalsContact C-N 3.35Å; D128-R130 PolarHBondContact O-N 3.48Å; R130-A132 VanDerWaalsContact C-N 3.34Å; R130-A132 PolarHBondContact O-N 3.26Å; R130-R133 CarbonylContact O-C 3.59Å; R130-R133 PolarHBondContact O-N 2.83Å; R130-N134 PolarHBondContact O-N 2.9Å; R130-D135 HydrophobicContact CB-CB 4.5Å; R130-D135 WeakPolarHBondContact CB-O 3.43Å; R130-D135 WeakPolarHBondContact CD-O 3.31Å; R130-D135 HydrophobicContact CG-CB 4.33Å; R130-D135 VanDerWaalsContact CG-O 3.28Å; R130-D135 WeakPolarHBondContact CG-O 3.45Å; R130-D135 IonicContact CZ-OD2 3.24Å; R130-D135 PolarHBondContact NH1-O 2.91Å; R130-D135 IonicContact NH1-OD1 3.02Å; R130-D135 PolarHBondContact NH1-OD1 3.48Å; R130-D135 IonicContact NH1-OD2 2.78Å; R130-D135 PolarHBondContact NH1-OD2 3.13Å; R130-D135 VanDerWaalsContact NH1-OD2 3.16Å; R130-D135 PolarHBondContact O-N 3.07Å; R130-M136 PolarHBondContact NH1-O 3.32Å; R130-F137 VanDerWaalsContact CD-CE2 3.41Å; R130-F250 HydrophobicContact CB-CD1 4.48Å; R130-F250 HydrophobicContact CB-CE1 3.69Å; R130-F250 HydrophobicContact CB-CZ 4.29Å
131	S	94.1	Very high	94.1	Very high	54 Å²	54	56.9 Å²	56.9	38%	0.378	29%	0.285	S	S	.	.	H	α-helix	trans	-57.6	-46.8	176.2	-179.5	0	0	0	0	111.4	I127 D128 R133 N134	I127-S131 VanDerWaalsContact O-CB 3.29Å; I127-S131 WeakPolarHBondContact O-CB 3.32Å; I127-S131 PolarHBondContact O-N 2.98Å; D128-S131 PolarHBondContact O-N 3.34Å; S131-R133 PolarHBondContact O-N 3.4Å; S131-N134 PolarHBondContact O-N 3.17Å; S131-N134 VanDerWaalsContact O-N 3.09Å
132	A	95.2	Very high	94	Very high	89 Å²	89	56.2 Å²	56.2	74%	0.736	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.4	177.5	0	0	0	0	0	113.7	D128 R130	D128-A132 WeakPolarHBondContact O-CB 3.38Å; D128-A132 PolarHBondContact O-N 2.89Å; R130-A132 VanDerWaalsContact C-N 3.34Å; R130-A132 PolarHBondContact O-N 3.26Å
133	R	93.9	Very high	93.9	Very high	168 Å²	168	56 Å²	56	63%	0.634	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	0.1	-178.6	-63.1	175.8	70.3	150.5	2.9	113.2	H129 R130 S131 D135	H129-R133 PolarHBondContact CE1-NH1 3.37Å; H129-R133 WeakPolarHBondContact NE2-CD 3.35Å; H129-R133 PolarHBondContact NE2-NH1 3.2Å; H129-R133 VanDerWaalsContact NE2-NH1 3.14Å; H129-R133 WeakPolarHBondContact O-CG 3.44Å; R130-R133 CarbonylContact O-C 3.59Å; R130-R133 PolarHBondContact O-N 2.83Å; S131-R133 PolarHBondContact O-N 3.4Å; R133-D135 HydrophobicContact CB-CB 4.15Å; R133-D135 PolarHBondContact O-N 3.09Å
134	N	87.3	Confident	93.7	Very high	64 Å²	64	59 Å²	59	34%	0.342	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	37.4	-169.7	-158.9	34.5	0	0	0	112.8	R130 S131 N323 Q325	R130-N134 PolarHBondContact O-N 2.9Å; S131-N134 PolarHBondContact O-N 3.17Å; S131-N134 VanDerWaalsContact O-N 3.09Å; N134-N323 PolarHBondContact O-ND2 2.78Å; N134-Q325 PolarHBondContact ND2-O 3.28Å
135	D	90.5	Very high	93.7	Very high	69 Å²	69	56.1 Å²	56.1	37%	0.369	28%	0.278	S	S	.	.			trans	-101.4	87.6	-176.2	177.6	25.7	0	0	0	110.6	R130 R133	R130-D135 HydrophobicContact CB-CB 4.5Å; R130-D135 WeakPolarHBondContact CB-O 3.43Å; R130-D135 WeakPolarHBondContact CD-O 3.31Å; R130-D135 HydrophobicContact CG-CB 4.33Å; R130-D135 VanDerWaalsContact CG-O 3.28Å; R130-D135 WeakPolarHBondContact CG-O 3.45Å; R130-D135 IonicContact CZ-OD2 3.24Å; R130-D135 PolarHBondContact NH1-O 2.91Å; R130-D135 IonicContact NH1-OD1 3.02Å; R130-D135 PolarHBondContact NH1-OD1 3.48Å; R130-D135 IonicContact NH1-OD2 2.78Å; R130-D135 PolarHBondContact NH1-OD2 3.13Å; R130-D135 VanDerWaalsContact NH1-OD2 3.16Å; R130-D135 PolarHBondContact O-N 3.07Å; R133-D135 HydrophobicContact CB-CB 4.15Å; R133-D135 PolarHBondContact O-N 3.09Å
136	M	89.2	Confident	93.8	Very high	25 Å²	25	48 Å²	48	12%	0.123	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-55.2	144.8	-178.7	-58.9	-55.3	-63.8	0	0	112.4	R130 P138 I248 F250 Y321	R130-M136 PolarHBondContact NH1-O 3.32Å; M136-P138 VanDerWaalsContact O-CD 3.29Å; M136-P138 WeakPolarHBondContact O-CD 3.45Å; M136-I248 WeakPolarHBondContact CE-O 3.22Å; M136-F250 HydrophobicContact CE-CE2 4.32Å; M136-F250 HydrophobicContact CE-CZ 4.35Å; M136-F250 HydrophobicContact SD-CD2 4.47Å; M136-F250 HydrophobicContact SD-CE2 3.41Å; M136-F250 WeakPolarHBondContact SD-CE2 3.37Å; M136-F250 HydrophobicContact SD-CZ 3.49Å; M136-F250 WeakPolarHBondContact SD-CZ 3.32Å; M136-Y321 HydrophobicContact CB-CD1 3.94Å; M136-Y321 HydrophobicContact CB-CE1 3.49Å; M136-Y321 VanDerWaalsContact CB-CE1 3.49Å; M136-Y321 HydrophobicContact CE-CE1 3.87Å; M136-Y321 WeakPolarHBondContact CE-OH 3.05Å; M136-Y321 HydrophobicContact CG-CE1 3.76Å
137	F	91.6	Very high	93.8	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-65.5	126.7	170.8	-76.5	-90.7	0	0	0	109.8	L123 E126 I127 R130 I142 M145 L247 F250	L123-F137 HydrophobicContact CD1-CE1 4.3Å; L123-F137 HydrophobicContact CD1-CZ 4Å; E126-F137 HydrophobicContact CB-CZ 4.36Å; E126-F137 HydrophobicContact CG-CE1 3.7Å; E126-F137 HydrophobicContact CG-CZ 3.61Å; I127-F137 HydrophobicContact CG1-CE2 3.76Å; I127-F137 HydrophobicContact CG1-CZ 3.98Å; R130-F137 VanDerWaalsContact CD-CE2 3.41Å; F137-I142 HydrophobicContact CB-CD1 4.01Å; F137-I142 HydrophobicContact CB-CG1 3.67Å; F137-M145 HydrophobicContact CD1-CE 3.58Å; F137-M145 HydrophobicContact CE1-CE 3.66Å; F137-M145 HydrophobicContact CE1-SD 4.35Å; F137-M145 HydrophobicContact CG-CE 4.36Å; F137-M145 HydrophobicContact CZ-CE 4.48Å; F137-L247 HydrophobicContact CD2-CD2 4.33Å; F137-L247 WeakPolarHBondContact CD2-O 3.24Å; F137-L247 HydrophobicContact CE1-CD2 4.43Å; F137-L247 HydrophobicContact CE2-CD2 4.08Å; F137-L247 HydrophobicContact CZ-CD2 4.1Å; F137-F250 HydrophobicContact CD2-CE1 4.35Å; F137-F250 HydrophobicContact CE2-CE1 4.44Å
138	P	90	Very high	93.9	Very high	42 Å²	42	48.1 Å²	48.1	27%	0.273	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-56.5	141.5	166.1	-24.5	33.9	0	0	0	110.9	M136 Y140 L141 I142	M136-P138 VanDerWaalsContact O-CD 3.29Å; M136-P138 WeakPolarHBondContact O-CD 3.45Å; P138-Y140 HydrophobicContact CB-CD1 3.43Å; P138-Y140 VanDerWaalsContact CB-CD1 3.43Å; P138-Y140 HydrophobicContact CB-CE1 3.28Å; P138-Y140 HydrophobicContact CG-CD1 4.44Å; P138-Y140 HydrophobicContact CG-CE1 3.83Å; P138-Y140 PolarHBondContact O-N 3.11Å; P138-L141 HydrophobicContact CG-CD1 4.38Å; P138-L141 WeakPolarHBondContact O-CB 3.42Å; P138-L141 PolarHBondContact O-N 3.31Å; P138-I142 PolarHBondContact O-N 3.47Å
139	L	89.5	Confident	94	Very high	12 Å²	12	44 Å²	44	6%	0.063	23%	0.228	C	C	.	.	H	α-helix	trans	-54	-39.6	-178.1	-179.5	57.9	0	0	0	113.1	L141 I142 K143 P284 L287 V315 I319	L139-L141 VanDerWaalsContact C-N 3.28Å; L139-L141 PolarHBondContact O-N 3.29Å; L139-I142 PolarHBondContact O-N 2.73Å; L139-K143 WeakPolarHBondContact O-CB 3.43Å; L139-K143 PolarHBondContact O-N 2.82Å; L139-P284 HydrophobicContact CD1-CG 4.46Å; L139-P284 HydrophobicContact CD2-CG 3.95Å; L139-L287 HydrophobicContact CD1-CD1 3.4Å; L139-L287 VanDerWaalsContact CD1-CD1 3.4Å; L139-V315 HydrophobicContact CD1-CG1 4.19Å; L139-V315 HydrophobicContact CD2-CG1 3.72Å; L139-V315 HydrophobicContact CG-CG1 4.2Å; L139-I319 HydrophobicContact CD2-CB 3.98Å
140	Y	90.6	Very high	94.1	Very high	142 Å²	142	39.9 Å²	39.9	56%	0.557	21%	0.209	S	C	*	.	H	α-helix	trans	-61.2	-36.3	177.5	82.1	-90.5	0	0	0	112.2	P138 K143 T144	P138-Y140 HydrophobicContact CB-CD1 3.43Å; P138-Y140 VanDerWaalsContact CB-CD1 3.43Å; P138-Y140 HydrophobicContact CB-CE1 3.28Å; P138-Y140 HydrophobicContact CG-CD1 4.44Å; P138-Y140 HydrophobicContact CG-CE1 3.83Å; P138-Y140 PolarHBondContact O-N 3.11Å; Y140-K143 PolarHBondContact O-N 3.41Å; Y140-T144 WeakPolarHBondContact O-CB 3.16Å; Y140-T144 PolarHBondContact O-N 3.3Å; Y140-T144 PolarHBondContact O-OG1 2.82Å
141	L	93.8	Very high	94.3	Very high	12 Å²	12	41.4 Å²	41.4	6%	0.063	22%	0.219	C	C	.	.	H	α-helix	trans	-70.4	-40.9	175.8	-71.3	-173.3	0	0	0	111.5	P138 L139 K143 T144 M145 M179	P138-L141 HydrophobicContact CG-CD1 4.38Å; P138-L141 WeakPolarHBondContact O-CB 3.42Å; P138-L141 PolarHBondContact O-N 3.31Å; L139-L141 VanDerWaalsContact C-N 3.28Å; L139-L141 PolarHBondContact O-N 3.29Å; L141-K143 VanDerWaalsContact C-N 3.3Å; L141-K143 PolarHBondContact O-N 2.96Å; L141-T144 PolarHBondContact O-N 3.43Å; L141-M145 HydrophobicContact CB-CE 4.28Å; L141-M145 WeakPolarHBondContact O-CB 3.22Å; L141-M145 WeakPolarHBondContact O-CE 3.5Å; L141-M145 VanDerWaalsContact O-CG 3.3Å; L141-M145 WeakPolarHBondContact O-CG 3.33Å; L141-M145 PolarHBondContact O-N 2.93Å; L141-M179 HydrophobicContact CD1-CE 4.4Å; L141-M179 HydrophobicContact CD1-CG 4.38Å; L141-M179 HydrophobicContact CD2-CB 3.93Å; L141-M179 HydrophobicContact CD2-CG 3.84Å
142	I	94.7	Very high	94.5	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.015	20%	0.201	C	C	.	.	H	α-helix	trans	-58.1	-47.9	174.3	-57	-179.9	0	0	0	109.3	F137 P138 L139 M145 M146 L244 L247 I248 F312	F137-I142 HydrophobicContact CB-CD1 4.01Å; F137-I142 HydrophobicContact CB-CG1 3.67Å; P138-I142 PolarHBondContact O-N 3.47Å; L139-I142 PolarHBondContact O-N 2.73Å; I142-M145 PolarHBondContact O-N 3.43Å; I142-M146 HydrophobicContact CG2-CG 4.1Å; I142-M146 WeakPolarHBondContact O-CB 3.39Å; I142-M146 WeakPolarHBondContact O-CG 3.4Å; I142-M146 PolarHBondContact O-N 2.84Å; I142-L244 HydrophobicContact CG2-CD1 3.66Å; I142-L247 HydrophobicContact CG1-CB 4.42Å; I142-L247 HydrophobicContact CG2-CB 4.45Å; I142-L247 HydrophobicContact CG2-CD1 4.09Å; I142-I248 HydrophobicContact CD1-CG1 4.01Å; I142-F312 HydrophobicContact CG2-CE1 4.25Å
143	K	94.4	Very high	94.7	Very high	34 Å²	34	34.7 Å²	34.7	15%	0.148	17%	0.166	C	C	.	.	H	α-helix	trans	-56.5	-52	175.7	178.6	173.6	-179	165.9	0	111.9	L139 Y140 L141 M145 M146 I147 F312 K313 V315	L139-K143 WeakPolarHBondContact O-CB 3.43Å; L139-K143 PolarHBondContact O-N 2.82Å; Y140-K143 PolarHBondContact O-N 3.41Å; L141-K143 VanDerWaalsContact C-N 3.3Å; L141-K143 PolarHBondContact O-N 2.96Å; K143-M145 VanDerWaalsContact C-N 3.35Å; K143-M145 PolarHBondContact O-N 2.78Å; K143-M146 PolarHBondContact O-N 2.97Å; K143-I147 HydrophobicContact CG-CD1 3.77Å; K143-I147 WeakPolarHBondContact O-CB 3.25Å; K143-I147 VanDerWaalsContact O-CG1 3.3Å; K143-I147 WeakPolarHBondContact O-CG1 3.13Å; K143-I147 PolarHBondContact O-N 3.45Å; K143-F312 HydrophobicContact CB-CD1 4.33Å; K143-F312 WeakPolarHBondContact CD-O 3.43Å; K143-F312 WeakPolarHBondContact CE-O 3.3Å; K143-F312 HydrophobicContact CG-CB 4.33Å; K143-F312 PolarHBondContact NZ-O 3.21Å; K143-K313 PolarHBondContact NZ-O 3.08Å; K143-V315 PolarHBondContact NZ-O 2.97Å; K143-V315 VanDerWaalsContact NZ-O 3.09Å
144	T	95.4	Very high	94.9	Very high	61 Å²	61	29 Å²	29	37%	0.374	15%	0.148	S	C	.	.	H	α-helix	trans	-57.9	-45.6	178.1	-63.3	0	0	0	0	112	Y140 L141 G148	Y140-T144 WeakPolarHBondContact O-CB 3.16Å; Y140-T144 PolarHBondContact O-N 3.3Å; Y140-T144 PolarHBondContact O-OG1 2.82Å; L141-T144 PolarHBondContact O-N 3.43Å; T144-G148 PolarHBondContact O-N 3.2Å; T144-G148 VanDerWaalsContact O-N 3.09Å
145	M	97.9	Very high	95.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-69	-44.2	-178.4	-70.5	-175.8	-64.7	0	0	112	L123 F137 L141 I142 K143 G148 I149 L175 P181 L247	L123-M145 HydrophobicContact CD1-CE 4.31Å; L123-M145 HydrophobicContact CD1-SD 3.58Å; L123-M145 VanDerWaalsContact CD1-SD 3.58Å; L123-M145 HydrophobicContact CD2-SD 4.43Å; F137-M145 HydrophobicContact CD1-CE 3.58Å; F137-M145 HydrophobicContact CE1-CE 3.66Å; F137-M145 HydrophobicContact CE1-SD 4.35Å; F137-M145 HydrophobicContact CG-CE 4.36Å; F137-M145 HydrophobicContact CZ-CE 4.48Å; L141-M145 HydrophobicContact CB-CE 4.28Å; L141-M145 WeakPolarHBondContact O-CB 3.22Å; L141-M145 WeakPolarHBondContact O-CE 3.5Å; L141-M145 VanDerWaalsContact O-CG 3.3Å; L141-M145 WeakPolarHBondContact O-CG 3.33Å; L141-M145 PolarHBondContact O-N 2.93Å; I142-M145 PolarHBondContact O-N 3.43Å; K143-M145 VanDerWaalsContact C-N 3.35Å; K143-M145 PolarHBondContact O-N 2.78Å; M145-G148 PolarHBondContact O-N 3.38Å; M145-I149 WeakPolarHBondContact O-CB 3.09Å; M145-I149 WeakPolarHBondContact O-CD1 3.39Å; M145-I149 WeakPolarHBondContact O-CG1 3.32Å; M145-I149 PolarHBondContact O-N 2.93Å; M145-L175 HydrophobicContact SD-CD2 4.03Å; M145-P181 WeakPolarHBondContact O-CG 3.44Å; M145-L247 HydrophobicContact CE-CD1 4.11Å; M145-L247 HydrophobicContact CE-CD2 3.55Å; M145-L247 HydrophobicContact CE-CG 4.46Å; M145-L247 HydrophobicContact SD-CD2 4.37Å
146	M	98.3	Very high	95.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.5	-42.6	-178.6	-67.6	-63.6	-62.7	0	0	112	I142 K143 I149 C150 L240 L243 L244 L247 M294 F312	I142-M146 HydrophobicContact CG2-CG 4.1Å; I142-M146 WeakPolarHBondContact O-CB 3.39Å; I142-M146 WeakPolarHBondContact O-CG 3.4Å; I142-M146 PolarHBondContact O-N 2.84Å; K143-M146 PolarHBondContact O-N 2.97Å; M146-I149 PolarHBondContact O-N 3.23Å; M146-C150 WeakPolarHBondContact O-CB 3.44Å; M146-C150 PolarHBondContact O-N 2.81Å; M146-C150 PolarHBondContact O-SG 2.94Å; M146-L240 HydrophobicContact CE-CD1 3.48Å; M146-L240 VanDerWaalsContact CE-CD1 3.48Å; M146-L240 HydrophobicContact CE-CD2 4.08Å; M146-L240 HydrophobicContact CE-CG 3.51Å; M146-L240 HydrophobicContact SD-CD1 3.98Å; M146-L243 HydrophobicContact SD-CD2 3.73Å; M146-L244 HydrophobicContact CE-CB 3.75Å; M146-L244 HydrophobicContact CE-CD1 4.34Å; M146-L244 HydrophobicContact CE-CD2 4.37Å; M146-L244 HydrophobicContact CE-CG 4.37Å; M146-L244 HydrophobicContact CG-CD1 4.13Å; M146-L244 HydrophobicContact SD-CB 4.12Å; M146-L244 HydrophobicContact SD-CD1 4.26Å; M146-L247 HydrophobicContact CG-CD1 4.07Å; M146-L247 HydrophobicContact SD-CD1 3.82Å; M146-M294 HydrophobicContact CE-CE 4.08Å; M146-F312 HydrophobicContact CB-CD1 4.29Å; M146-F312 HydrophobicContact CB-CD2 3.78Å; M146-F312 HydrophobicContact CB-CE1 3.94Å; M146-F312 HydrophobicContact CB-CE2 3.4Å; M146-F312 VanDerWaalsContact CB-CE2 3.4Å; M146-F312 HydrophobicContact CB-CG 4.22Å; M146-F312 HydrophobicContact CB-CZ 3.51Å; M146-F312 HydrophobicContact CE-CE2 3.85Å; M146-F312 HydrophobicContact CE-CZ 4.01Å; M146-F312 HydrophobicContact CG-CE1 3.97Å; M146-F312 HydrophobicContact CG-CE2 3.84Å; M146-F312 HydrophobicContact CG-CZ 3.47Å; M146-F312 VanDerWaalsContact CG-CZ 3.47Å
147	I	98.4	Very high	96.3	Very high	30 Å²	30	24.4 Å²	24.4	15%	0.154	13%	0.126	C	C	.	.	H	α-helix	trans	-60.8	-49.6	175	-69.1	171.9	0	0	0	110.3	K143 I149 C150 D151 V309 F312 K313	K143-I147 HydrophobicContact CG-CD1 3.77Å; K143-I147 WeakPolarHBondContact O-CB 3.25Å; K143-I147 VanDerWaalsContact O-CG1 3.3Å; K143-I147 WeakPolarHBondContact O-CG1 3.13Å; K143-I147 PolarHBondContact O-N 3.45Å; I147-I149 VanDerWaalsContact C-N 3.34Å; I147-I149 PolarHBondContact O-N 2.93Å; I147-C150 WeakPolarHBondContact O-CB 3.36Å; I147-C150 PolarHBondContact O-N 2.91Å; I147-D151 VanDerWaalsContact O-CG 3.31Å; I147-D151 PolarHBondContact O-N 2.86Å; I147-V309 HydrophobicContact CG2-CG1 4.38Å; I147-F312 HydrophobicContact CD1-CB 4Å; I147-F312 HydrophobicContact CG1-CB 3.79Å; I147-K313 HydrophobicContact CD1-CG 4.15Å
148	G	98.7	Very high	96.6	Very high	5 Å²	5	28.6 Å²	28.6	5%	0.052	16%	0.155	C	C	.	.	H	α-helix	trans	-63.7	-37.5	-179.4	0	0	0	0	0	113.3	N88 T144 M145 D151 G152	N88-G148 WeakPolarHBondContact CB-O 3.16Å; N88-G148 WeakPolarHBondContact ND2-CA 3.24Å; N88-G148 PolarHBondContact ND2-O 3.36Å; T144-G148 PolarHBondContact O-N 3.2Å; T144-G148 VanDerWaalsContact O-N 3.09Å; M145-G148 PolarHBondContact O-N 3.38Å; G148-D151 PolarHBondContact O-N 2.81Å; G148-G152 PolarHBondContact O-N 2.79Å
149	I	98.9	Very high	97	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-63.7	-45.7	174	-68.4	162.8	0	0	0	110.4	M145 M146 I147 D151 G152 L153 V173 P181 L183 L240 L243	M145-I149 WeakPolarHBondContact O-CB 3.09Å; M145-I149 WeakPolarHBondContact O-CD1 3.39Å; M145-I149 WeakPolarHBondContact O-CG1 3.32Å; M145-I149 PolarHBondContact O-N 2.93Å; M146-I149 PolarHBondContact O-N 3.23Å; I147-I149 VanDerWaalsContact C-N 3.34Å; I147-I149 PolarHBondContact O-N 2.93Å; I149-D151 VanDerWaalsContact C-N 3.35Å; I149-D151 PolarHBondContact O-N 3.45Å; I149-G152 PolarHBondContact O-N 3Å; I149-L153 HydrophobicContact CG2-CD1 4.29Å; I149-L153 WeakPolarHBondContact O-CG 3.44Å; I149-L153 PolarHBondContact O-N 3.23Å; I149-V173 HydrophobicContact CD1-CG1 4.23Å; I149-V173 HydrophobicContact CD1-CG2 4.05Å; I149-V173 HydrophobicContact CG1-CG1 4.25Å; I149-V173 HydrophobicContact CG1-CG2 4.3Å; I149-P181 HydrophobicContact CD1-CB 4.37Å; I149-P181 HydrophobicContact CG1-CB 3.77Å; I149-P181 HydrophobicContact CG1-CG 4.15Å; I149-L183 HydrophobicContact CG2-CD2 4.14Å; I149-L240 HydrophobicContact CB-CD1 4.29Å; I149-L240 HydrophobicContact CG2-CD1 3.56Å; I149-L243 HydrophobicContact CD1-CD1 4.02Å; I149-L243 HydrophobicContact CD1-CD2 3.86Å
150	C	98.9	Very high	97.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.6	-43.9	175.1	-73.1	0	0	0	0	112.1	M146 I147 G152 L153 I154 L240 V309	M146-C150 WeakPolarHBondContact O-CB 3.44Å; M146-C150 PolarHBondContact O-N 2.81Å; M146-C150 PolarHBondContact O-SG 2.94Å; I147-C150 WeakPolarHBondContact O-CB 3.36Å; I147-C150 PolarHBondContact O-N 2.91Å; C150-G152 VanDerWaalsContact C-N 3.29Å; C150-G152 PolarHBondContact O-N 3.44Å; C150-L153 PolarHBondContact O-N 2.91Å; C150-L153 VanDerWaalsContact O-N 3.15Å; C150-I154 WeakPolarHBondContact O-CB 3.34Å; C150-I154 VanDerWaalsContact O-CG1 3.26Å; C150-I154 WeakPolarHBondContact O-CG1 3.38Å; C150-I154 PolarHBondContact O-N 2.95Å; C150-L240 WeakPolarHBondContact SG-CD2 3.49Å; C150-V309 HydrophobicContact CB-CG2 3.32Å
151	D	98.7	Very high	97.7	Very high	57 Å²	57	34.9 Å²	34.9	31%	0.305	20%	0.195	S	C	.	.	H	α-helix	trans	-61.5	-39.7	178.3	-70.3	-22	0	0	0	111.1	H86 I147 G148 I149 I154 A155	H86-D151 PolarHBondContact CE1-O 3.37Å; I147-D151 VanDerWaalsContact O-CG 3.31Å; I147-D151 PolarHBondContact O-N 2.86Å; G148-D151 PolarHBondContact O-N 2.81Å; I149-D151 VanDerWaalsContact C-N 3.35Å; I149-D151 PolarHBondContact O-N 3.45Å; D151-I154 PolarHBondContact O-N 2.97Å; D151-A155 PolarHBondContact O-N 2.83Å
152	G	98.8	Very high	97.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-45.4	172	0	0	0	0	0	112.9	G148 I149 C150 A155 L156	G148-G152 PolarHBondContact O-N 2.79Å; I149-G152 PolarHBondContact O-N 3Å; C150-G152 VanDerWaalsContact C-N 3.29Å; C150-G152 PolarHBondContact O-N 3.44Å; G152-A155 WeakPolarHBondContact O-CB 3.3Å; G152-A155 PolarHBondContact O-N 2.9Å; G152-L156 PolarHBondContact O-N 2.83Å
153	L	98.9	Very high	98.1	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-65.7	-39	176.5	-70.4	175.6	0	0	0	112.4	I149 C150 A155 L156 L157 H165 I168 L183 D236 L305	I149-L153 HydrophobicContact CG2-CD1 4.29Å; I149-L153 WeakPolarHBondContact O-CG 3.44Å; I149-L153 PolarHBondContact O-N 3.23Å; C150-L153 PolarHBondContact O-N 2.91Å; C150-L153 VanDerWaalsContact O-N 3.15Å; L153-A155 VanDerWaalsContact C-N 3.29Å; L153-A155 PolarHBondContact O-N 3.32Å; L153-L156 HydrophobicContact CD2-CD1 4.33Å; L153-L156 WeakPolarHBondContact O-CB 3.49Å; L153-L156 PolarHBondContact O-N 3.23Å; L153-L156 VanDerWaalsContact O-N 3.17Å; L153-L157 PolarHBondContact O-N 3.24Å; L153-H165 HydrophobicContact CD2-CB 3.94Å; L153-I168 HydrophobicContact CD2-CD1 3.84Å; L153-I168 HydrophobicContact CD2-CG1 4.17Å; L153-L183 HydrophobicContact CD2-CD1 3.92Å; L153-L183 HydrophobicContact CG-CD1 3.97Å; L153-D236 HydrophobicContact CD1-CB 4.28Å; L153-D236 HydrophobicContact CD2-CB 4.39Å; L153-L305 HydrophobicContact CB-CD1 3.49Å; L153-L305 VanDerWaalsContact CB-CD1 3.49Å; L153-L305 HydrophobicContact CB-CD2 4.17Å; L153-L305 HydrophobicContact CB-CG 4.49Å; L153-L305 HydrophobicContact CD1-CD1 4.48Å; L153-L305 HydrophobicContact CD1-CD2 3.77Å
154	I	98.7	Very high	98.3	Very high	48 Å²	48	36.3 Å²	36.3	25%	0.246	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-39.6	174.7	-71.4	165.3	0	0	0	110.2	C150 D151 L156 L157 S158 L305 V309	C150-I154 WeakPolarHBondContact O-CB 3.34Å; C150-I154 VanDerWaalsContact O-CG1 3.26Å; C150-I154 WeakPolarHBondContact O-CG1 3.38Å; C150-I154 PolarHBondContact O-N 2.95Å; D151-I154 PolarHBondContact O-N 2.97Å; I154-L156 VanDerWaalsContact C-N 3.32Å; I154-L156 PolarHBondContact O-N 3.02Å; I154-L157 CarbonylContact O-C 3.54Å; I154-L157 PolarHBondContact O-N 2.85Å; I154-S158 WeakPolarHBondContact O-CB 3.41Å; I154-S158 PolarHBondContact O-N 3.3Å; I154-S158 PolarHBondContact O-OG 3.44Å; I154-L305 HydrophobicContact CD1-CB 4Å; I154-L305 HydrophobicContact CG1-CB 3.71Å; I154-L305 HydrophobicContact CG1-CD1 3.95Å; I154-V309 HydrophobicContact CD1-CG2 4.32Å
155	A	98.7	Very high	98.5	Very high	14 Å²	14	33.4 Å²	33.4	12%	0.116	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-39.2	174.5	0	0	0	0	0	112.1	L89 D151 G152 L153 S158	L89-A155 HydrophobicContact CD1-CB 3.94Å; D151-A155 PolarHBondContact O-N 2.83Å; G152-A155 WeakPolarHBondContact O-CB 3.3Å; G152-A155 PolarHBondContact O-N 2.9Å; L153-A155 VanDerWaalsContact C-N 3.29Å; L153-A155 PolarHBondContact O-N 3.32Å; A155-S158 PolarHBondContact O-N 3.22Å
156	L	98.8	Very high	98.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.5	-38.1	173.7	-63.9	178.6	0	0	0	112.7	F79 L83 L89 G152 L153 I154 S158 L159 M163 H165 F186	F79-L156 HydrophobicContact CE1-CD2 4.33Å; F79-L156 HydrophobicContact CZ-CD2 4.15Å; L83-L156 HydrophobicContact CD2-CD2 3.71Å; L89-L156 HydrophobicContact CD1-CD2 4.13Å; L89-L156 HydrophobicContact CD2-CD2 4.14Å; L89-L156 HydrophobicContact CD2-CG 4.12Å; G152-L156 PolarHBondContact O-N 2.83Å; L153-L156 HydrophobicContact CD2-CD1 4.33Å; L153-L156 WeakPolarHBondContact O-CB 3.49Å; L153-L156 PolarHBondContact O-N 3.23Å; L153-L156 VanDerWaalsContact O-N 3.17Å; I154-L156 VanDerWaalsContact C-N 3.32Å; I154-L156 PolarHBondContact O-N 3.02Å; L156-S158 PolarHBondContact O-N 2.68Å; L156-L159 HydrophobicContact CD2-CD1 4.37Å; L156-L159 WeakPolarHBondContact O-CG 3.35Å; L156-M163 PolarHBondContact O-N 2.96Å; L156-H165 HydrophobicContact CD1-CB 4.23Å; L156-F186 HydrophobicContact CD1-CE1 4.29Å; L156-F186 HydrophobicContact CD2-CE1 4.25Å
157	L	98.4	Very high	98.5	Very high	47 Å²	47	34 Å²	34	25%	0.246	19%	0.192	C	C	.	.	H	α-helix	trans	-72.1	-18.8	175.2	-67.6	178.5	0	0	0	113.5	L153 I154 P162 M163 E233 L305	L153-L157 PolarHBondContact O-N 3.24Å; I154-L157 CarbonylContact O-C 3.54Å; I154-L157 PolarHBondContact O-N 2.85Å; L157-P162 HydrophobicContact CD2-CB 4.42Å; L157-P162 VanDerWaalsContact O-CB 3.28Å; L157-P162 WeakPolarHBondContact O-CB 3.13Å; L157-P162 WeakPolarHBondContact O-CG 3.29Å; L157-M163 WeakPolarHBondContact CD2-O 3.43Å; L157-E233 HydrophobicContact CD1-CB 4.22Å; L157-E233 HydrophobicContact CD1-CG 3.86Å; L157-E233 HydrophobicContact CD2-CB 3.72Å; L157-E233 HydrophobicContact CD2-CG 4.14Å; L157-L305 HydrophobicContact CD1-CD1 3.58Å
158	S	98.2	Very high	98.5	Very high	89 Å²	89	32.7 Å²	32.7	62%	0.622	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	1.7	-179.4	-55.7	0	0	0	0	113.4	I154 A155 L156	I154-S158 WeakPolarHBondContact O-CB 3.41Å; I154-S158 PolarHBondContact O-N 3.3Å; I154-S158 PolarHBondContact O-OG 3.44Å; A155-S158 PolarHBondContact O-N 3.22Å; L156-S158 PolarHBondContact O-N 2.68Å
159	L	98.3	Very high	98.5	Very high	39 Å²	39	34.7 Å²	34.7	20%	0.204	19%	0.192	C	C	.	.	S	Bend	trans	-68.2	157.6	172.4	-61.6	176.2	0	0	0	111	F79 L83 P84 L156 I161 M163	F79-L159 HydrophobicContact CE2-CD1 4.18Å; F79-L159 HydrophobicContact CZ-CD1 4.03Å; L83-L159 HydrophobicContact CD2-CD1 4.04Å; P84-L159 HydrophobicContact CG-CD2 4.02Å; L156-L159 HydrophobicContact CD2-CD1 4.37Å; L156-L159 WeakPolarHBondContact O-CG 3.35Å; L159-I161 WeakPolarHBondContact CB-O 3.38Å; L159-I161 CarbonylContact O-C 3.44Å; L159-I161 PolarHBondContact O-N 3.15Å; L159-I161 VanDerWaalsContact O-N 3.1Å; L159-M163 HydrophobicContact CD1-CB 4.4Å; L159-M163 HydrophobicContact CD1-CG 3.91Å
160	D	97.4	Very high	98.4	Very high	176 Å²	176	34.7 Å²	34.7	94%	0.941	19%	0.192	S	C	*	.	S	Bend	trans	-51.3	-38.2	178.2	-69.8	-19	0	0	0	112.7
161	I	97.5	Very high	98.4	Very high	114 Å²	114	35.7 Å²	35.7	59%	0.585	20%	0.202	S	C	*	.	S	Bend	trans	-109.2	107.9	163.7	-58.4	174.8	0	0	0	106	L159 M163	L159-I161 WeakPolarHBondContact CB-O 3.38Å; L159-I161 CarbonylContact O-C 3.44Å; L159-I161 PolarHBondContact O-N 3.15Å; L159-I161 VanDerWaalsContact O-N 3.1Å; I161-M163 HydrophobicContact CB-SD 4.41Å; I161-M163 HydrophobicContact CG2-SD 3.91Å; I161-M163 VanDerWaalsContact O-CG 3.24Å; I161-M163 WeakPolarHBondContact O-CG 3.38Å; I161-M163 PolarHBondContact O-N 3.38Å
162	P	98.5	Very high	98.3	Very high	54 Å²	54	33.4 Å²	33.4	35%	0.351	19%	0.19	S	C	.	.			trans	-59.4	126.9	179.6	-29.5	37.8	0	0	0	111.6	L157 S192	L157-P162 HydrophobicContact CD2-CB 4.42Å; L157-P162 VanDerWaalsContact O-CB 3.28Å; L157-P162 WeakPolarHBondContact O-CB 3.13Å; L157-P162 WeakPolarHBondContact O-CG 3.29Å; P162-S192 WeakPolarHBondContact CB-OG 3.48Å; P162-S192 VanDerWaalsContact O-CB 3.27Å; P162-S192 WeakPolarHBondContact O-CB 3.22Å; P162-S192 PolarHBondContact O-N 3.21Å; P162-S192 PolarHBondContact O-OG 3.2Å
163	M	98.7	Very high	98.3	Very high	24 Å²	24	33.4 Å²	33.4	12%	0.118	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	151.2	-174.6	-56.7	-58.5	-77.8	0	0	112.2	F79 L156 L157 L159 I161 V189 T190	F79-M163 HydrophobicContact CE2-CE 4.08Å; F79-M163 HydrophobicContact CE2-CG 3.81Å; F79-M163 HydrophobicContact CZ-CB 4.29Å; F79-M163 HydrophobicContact CZ-CG 4.05Å; L156-M163 PolarHBondContact O-N 2.96Å; L157-M163 WeakPolarHBondContact CD2-O 3.43Å; L159-M163 HydrophobicContact CD1-CB 4.4Å; L159-M163 HydrophobicContact CD1-CG 3.91Å; I161-M163 HydrophobicContact CB-SD 4.41Å; I161-M163 HydrophobicContact CG2-SD 3.91Å; I161-M163 VanDerWaalsContact O-CG 3.24Å; I161-M163 WeakPolarHBondContact O-CG 3.38Å; I161-M163 PolarHBondContact O-N 3.38Å; M163-V189 HydrophobicContact CB-CG1 3.89Å; M163-V189 HydrophobicContact CE-CG1 3.38Å; M163-V189 HydrophobicContact CG-CG1 4.25Å; M163-T190 WeakPolarHBondContact CA-O 3.49Å; M163-T190 WeakPolarHBondContact CE-O 3.46Å
164	S	98.7	Very high	98.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	146.4	169.8	-69.8	0	0	0	0	110.8	V189 T190 S192 E233 D236	S164-V189 WeakPolarHBondContact O-CA 3.23Å; S164-T190 PolarHBondContact N-O 3.45Å; S164-T190 PolarHBondContact O-N 2.93Å; S164-S192 WeakPolarHBondContact OG-CA 3.21Å; S164-E233 VanDerWaalsContact OG-CA 3.25Å; S164-E233 WeakPolarHBondContact OG-CA 3.49Å; S164-E233 WeakPolarHBondContact OG-CB 3.41Å; S164-D236 WeakPolarHBondContact CA-OD2 3.44Å; S164-D236 VanDerWaalsContact CB-OD2 3.3Å; S164-D236 WeakPolarHBondContact CB-OD2 3.42Å
165	H	98.6	Very high	98.3	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.183	C	C	.	.			trans	-73.3	-38.5	-177.1	-167.4	-76	0	0	0	112.5	L153 L156 D167 I168 M184 D185 F186 S188 D236	L153-H165 HydrophobicContact CD2-CB 3.94Å; L156-H165 HydrophobicContact CD1-CB 4.23Å; H165-D167 PolarHBondContact ND1-N 2.78Å; H165-D167 PolarHBondContact O-N 3Å; H165-I168 HydrophobicContact CB-CD1 3.66Å; H165-I168 HydrophobicContact CB-CG1 3.94Å; H165-I168 VanDerWaalsContact CG-CD1 3.45Å; H165-M184 PolarHBondContact CE1-O 3.3Å; H165-M184 PolarHBondContact NE2-O 2.93Å; H165-D185 PolarHBondContact CE1-O 2.84Å; H165-D185 VanDerWaalsContact CE1-O 3.27Å; H165-F186 AromaticContact CD2-CD1 3.85Å; H165-F186 AromaticContact CD2-CE1 3.93Å; H165-F186 AromaticContact NE2-CD1 3.97Å; H165-S188 CarbonylContact O-C 3.39Å; H165-D236 PolarHBondContact N-OD2 2.82Å
166	R	98.2	Very high	98.2	Very high	3 Å²	3	32.2 Å²	32.2	1%	0.011	18%	0.182	C	C	.	.	S	Bend	trans	65.4	-14.3	179.3	-53.4	-61.9	-173.4	-166.1	-5.3	116.8	S188 T190 P191 S192 F208 C213 I231 T232 D236	R166-S188 WeakPolarHBondContact CB-O 3.29Å; R166-S188 WeakPolarHBondContact CG-O 3.47Å; R166-T190 HydrophobicContact CG-CG2 4.26Å; R166-T190 PolarHBondContact NE-OG1 3.02Å; R166-P191 PolarHBondContact NH2-O 3.3Å; R166-S192 PolarHBondContact NH2-O 3.26Å; R166-F208 HydrophobicContact CB-CE1 4.44Å; R166-F208 HydrophobicContact CG-CE1 4.39Å; R166-C213 PolarHBondContact O-SG 2.96Å; R166-I231 VanDerWaalsContact NH1-CG2 3.27Å; R166-T232 PolarHBondContact NH1-O 3Å; R166-D236 VanDerWaalsContact CA-OD1 3.32Å; R166-D236 WeakPolarHBondContact CA-OD1 3.17Å; R166-D236 PolarHBondContact N-OD1 3.46Å
167	D	98.1	Very high	98	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.053	21%	0.208	C	C	.	.			trans	-130.9	51.3	176.8	-161.7	36.3	0	0	0	113.5	H165 K169 N172 S214	H165-D167 PolarHBondContact ND1-N 2.78Å; H165-D167 PolarHBondContact O-N 3Å; D167-K169 PolarHBondContact O-N 3.09Å; D167-K169 IonicContact OD1-NZ 2.75Å; D167-K169 WeakPolarHBondContact OD2-CE 3.47Å; D167-K169 IonicContact OD2-NZ 2.78Å; D167-K169 PolarHBondContact OD2-NZ 3.46Å; D167-N172 PolarHBondContact O-ND2 3.39Å; D167-N172 PolarHBondContact OD2-ND2 3.43Å; D167-S214 WeakPolarHBondContact OD1-CB 3.46Å; D167-S214 PolarHBondContact OD1-N 3.41Å; D167-S214 PolarHBondContact OD1-OG 2.74Å; D167-S214 PolarHBondContact OD2-OG 3.24Å
168	I	98.7	Very high	97.8	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	24%	0.237	C	C	.	.			trans	-74	122.3	175.1	-61.5	-63	0	0	0	110.3	L153 H165 L183 Y217 D236 S239 L243	L153-I168 HydrophobicContact CD2-CD1 3.84Å; L153-I168 HydrophobicContact CD2-CG1 4.17Å; H165-I168 HydrophobicContact CB-CD1 3.66Å; H165-I168 HydrophobicContact CB-CG1 3.94Å; H165-I168 VanDerWaalsContact CG-CD1 3.45Å; I168-L183 HydrophobicContact CD1-CD1 4.44Å; I168-L183 HydrophobicContact CD1-CD2 3.6Å; I168-Y217 WeakPolarHBondContact O-CB 3.11Å; I168-Y217 WeakPolarHBondContact O-CD1 3.32Å; I168-D236 HydrophobicContact CG1-CB 4.31Å; I168-S239 WeakPolarHBondContact O-CB 3.45Å; I168-L243 HydrophobicContact CG2-CD1 3.98Å
169	K	98.2	Very high	97.7	Very high	48 Å²	48	40.8 Å²	40.8	21%	0.209	21%	0.211	C	C	.	.	S	Bend	trans	-160.4	160.7	175.5	58	178.9	160.5	-161.1	0	109.1	D167 G171 N172 S214 Y217	D167-K169 PolarHBondContact O-N 3.09Å; D167-K169 IonicContact OD1-NZ 2.75Å; D167-K169 WeakPolarHBondContact OD2-CE 3.47Å; D167-K169 IonicContact OD2-NZ 2.78Å; D167-K169 PolarHBondContact OD2-NZ 3.46Å; K169-G171 PolarHBondContact O-N 3.32Å; K169-G171 VanDerWaalsContact O-N 3.08Å; K169-N172 WeakPolarHBondContact CE-ND2 3.41Å; K169-N172 VanDerWaalsContact CE-OD1 3.24Å; K169-N172 WeakPolarHBondContact CE-OD1 3.42Å; K169-N172 HydrophobicContact CG-CB 4.07Å; K169-N172 PolarHBondContact O-N 2.94Å; K169-S214 WeakPolarHBondContact CD-OG 3.24Å; K169-S214 VanDerWaalsContact CE-OG 3.27Å; K169-S214 WeakPolarHBondContact CE-OG 3.36Å; K169-S214 PolarHBondContact NZ-OG 3.46Å; K169-Y217 HydrophobicContact CB-CD1 4Å; K169-Y217 HydrophobicContact CB-CD2 3.8Å; K169-Y217 HydrophobicContact CB-CE1 4.2Å; K169-Y217 HydrophobicContact CB-CE2 4.02Å; K169-Y217 HydrophobicContact CB-CG 3.82Å
170	P	98.5	Very high	97.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-54.4	-29.5	175.6	-26.6	33.9	0	0	0	114.3	L123 Q124 I127 N172 V173 Y217 L243 A246	L123-P170 HydrophobicContact CB-CB 4.24Å; L123-P170 WeakPolarHBondContact CB-O 3.29Å; L123-P170 HydrophobicContact CD2-CB 4.37Å; L123-P170 HydrophobicContact CG-CB 4.1Å; L123-P170 PolarHBondContact N-O 2.96Å; Q124-P170 HydrophobicContact CB-CB 4Å; Q124-P170 PolarHBondContact N-O 3.17Å; I127-P170 HydrophobicContact CD1-CB 3.67Å; I127-P170 HydrophobicContact CD1-CG 3.61Å; P170-N172 PolarHBondContact O-N 3.17Å; P170-V173 PolarHBondContact O-N 3.42Å; P170-Y217 VanDerWaalsContact CD-CE1 3.41Å; P170-Y217 WeakPolarHBondContact CD-OH 3.31Å; P170-Y217 HydrophobicContact CG-CE1 4.32Å; P170-Y217 WeakPolarHBondContact CG-OH 3.21Å; P170-L243 HydrophobicContact CG-CG 4.22Å; P170-A246 HydrophobicContact CG-CB 4.32Å
171	G	96.9	Very high	97.8	Very high	21 Å²	21	34.6 Å²	34.6	22%	0.216	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-65	-25.7	175.6	0	0	0	0	0	114.2	T122 K169	T122-G171 VanDerWaalsContact CG2-O 3.27Å; T122-G171 WeakPolarHBondContact CG2-O 3.21Å; K169-G171 PolarHBondContact O-N 3.32Å; K169-G171 VanDerWaalsContact O-N 3.08Å
172	N	98	Very high	97.8	Very high	9 Å²	9	29.2 Å²	29.2	5%	0.048	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-103	17.6	-178.4	-71.5	0.7	0	0	0	112.6	D167 K169 P170 M184	D167-N172 PolarHBondContact O-ND2 3.39Å; D167-N172 PolarHBondContact OD2-ND2 3.43Å; K169-N172 WeakPolarHBondContact CE-ND2 3.41Å; K169-N172 VanDerWaalsContact CE-OD1 3.24Å; K169-N172 WeakPolarHBondContact CE-OD1 3.42Å; K169-N172 HydrophobicContact CG-CB 4.07Å; K169-N172 PolarHBondContact O-N 2.94Å; P170-N172 PolarHBondContact O-N 3.17Å; N172-M184 HydrophobicContact CB-CG 4.5Å; N172-M184 WeakPolarHBondContact O-CG 2.97Å; N172-M184 PolarHBondContact O-N 2.63Å
173	V	98.7	Very high	97.8	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	115.1	172.4	-176.3	0	0	0	0	108.6	T122 L123 I149 P170 P181 L183 L243	T122-V173 CarbonylContact C-O 3.56Å; T122-V173 VanDerWaalsContact CA-O 3.24Å; T122-V173 WeakPolarHBondContact CA-O 3.21Å; L123-V173 HydrophobicContact CB-CB 3.99Å; L123-V173 HydrophobicContact CB-CG1 4.29Å; L123-V173 HydrophobicContact CD2-CB 4.36Å; L123-V173 HydrophobicContact CD2-CG1 4.41Å; L123-V173 PolarHBondContact N-O 2.82Å; I149-V173 HydrophobicContact CD1-CG1 4.23Å; I149-V173 HydrophobicContact CD1-CG2 4.05Å; I149-V173 HydrophobicContact CG1-CG1 4.25Å; I149-V173 HydrophobicContact CG1-CG2 4.3Å; P170-V173 PolarHBondContact O-N 3.42Å; V173-P181 HydrophobicContact CG1-CB 3.66Å; V173-L183 HydrophobicContact CG2-CD2 4.17Å; V173-L243 HydrophobicContact CG2-CD1 4.03Å
174	L	98.3	Very high	97.8	Very high	20 Å²	20	27.1 Å²	27.1	11%	0.105	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	145.5	169.7	-68.9	173.7	0	0	0	110.6	L90 G121 T122 F176 P181 V182 M184	L90-L174 HydrophobicContact CD1-CD1 3.86Å; L90-L174 HydrophobicContact CD2-CD1 3.86Å; L90-L174 HydrophobicContact CG-CD1 4.47Å; G121-L174 WeakPolarHBondContact O-CA 3.46Å; T122-L174 HydrophobicContact CG2-CD2 3.92Å; L174-F176 HydrophobicContact CB-CD2 4.32Å; L174-F176 HydrophobicContact CB-CE2 3.99Å; L174-F176 HydrophobicContact CD1-CE2 4.37Å; L174-P181 CarbonylContact O-C 3.54Å; L174-P181 WeakPolarHBondContact O-CA 3.43Å; L174-V182 HydrophobicContact CB-CB 4.46Å; L174-V182 PolarHBondContact N-O 3.43Å; L174-V182 PolarHBondContact O-N 2.84Å; L174-M184 HydrophobicContact CD1-CB 4.39Å; L174-M184 HydrophobicContact CD1-CG 4.49Å; L174-M184 HydrophobicContact CD1-SD 3.78Å; L174-M184 HydrophobicContact CD2-SD 3.77Å; L174-M184 HydrophobicContact CG-CG 4.18Å; L174-M184 HydrophobicContact CG-SD 3.49Å; L174-M184 WeakPolarHBondContact CG-SD 3.05Å
175	L	98.6	Very high	97.6	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.7	174	-62.6	177.3	0	0	0	109.8	S118 R120 G121 L123 E126 M145 M179	S118-L175 PolarHBondContact OG-O 3.09Å; R120-L175 HydrophobicContact CB-CB 4.01Å; R120-L175 WeakPolarHBondContact CB-O 3.47Å; G121-L175 PolarHBondContact O-N 3.04Å; L123-L175 HydrophobicContact CB-CD2 4.48Å; L123-L175 HydrophobicContact CB-CG 4.41Å; L123-L175 HydrophobicContact CD1-CD1 4.16Å; L123-L175 HydrophobicContact CD1-CD2 4.4Å; E126-L175 HydrophobicContact CB-CD1 3.77Å; E126-L175 HydrophobicContact CG-CD1 4.05Å; M145-L175 HydrophobicContact SD-CD2 4.03Å; L175-M179 HydrophobicContact CD1-CE 3.71Å; L175-M179 HydrophobicContact CD1-SD 4.35Å
176	F	97.7	Very high	97.5	Very high	19 Å²	19	29.2 Å²	29.2	8%	0.083	14%	0.141	C	C	.	.			trans	-96.6	-165.1	174.2	-83.8	-103.7	0	0	0	110.6	L90 R120 L174 M179 R180 V182	L90-F176 HydrophobicContact CD1-CE2 4.19Å; L90-F176 HydrophobicContact CD1-CZ 4.04Å; R120-F176 WeakPolarHBondContact CD-O 3.49Å; L174-F176 HydrophobicContact CB-CD2 4.32Å; L174-F176 HydrophobicContact CB-CE2 3.99Å; L174-F176 HydrophobicContact CD1-CE2 4.37Å; F176-M179 PolarHBondContact O-N 2.89Å; F176-R180 HydrophobicContact CB-CB 4.41Å; F176-R180 PolarHBondContact N-O 3.06Å; F176-V182 HydrophobicContact CB-CG2 4.47Å; F176-V182 HydrophobicContact CD2-CB 3.78Å; F176-V182 HydrophobicContact CD2-CG1 4.48Å; F176-V182 HydrophobicContact CD2-CG2 3.31Å; F176-V182 HydrophobicContact CE2-CB 3.8Å; F176-V182 HydrophobicContact CE2-CG1 4.05Å; F176-V182 HydrophobicContact CE2-CG2 3.71Å; F176-V182 HydrophobicContact CG-CG2 4.06Å
177	E	94.4	Very high	97.3	Very high	119 Å²	119	30.8 Å²	30.8	56%	0.556	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-49.6	146.5	171.7	-62.2	74.5	-162.8	0	0	110.9	M179 R180	E177-M179 PolarHBondContact O-N 3.1Å; E177-M179 VanDerWaalsContact O-N 3.08Å; E177-R180 WeakPolarHBondContact O-CB 3.46Å; E177-R180 PolarHBondContact O-N 2.92Å; E177-R180 VanDerWaalsContact O-N 3.1Å
178	E	94	Very high	97.2	Very high	182 Å²	182	30.7 Å²	30.7	85%	0.85	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	55.8	26.8	179.3	-61.9	170.4	-167.3	0	0	114.7	R180	E178-R180 PolarHBondContact O-N 2.9Å
179	M	96	Very high	97.2	Very high	15 Å²	15	31.1 Å²	31.1	7%	0.074	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	61.5	21.7	-178.8	-55.6	-66.4	-73.4	0	0	113.4	E126 L141 L175 F176 E177 P181	E126-M179 HydrophobicContact CG-CE 4.05Å; L141-M179 HydrophobicContact CD1-CE 4.4Å; L141-M179 HydrophobicContact CD1-CG 4.38Å; L141-M179 HydrophobicContact CD2-CB 3.93Å; L141-M179 HydrophobicContact CD2-CG 3.84Å; L175-M179 HydrophobicContact CD1-CE 3.71Å; L175-M179 HydrophobicContact CD1-SD 4.35Å; F176-M179 PolarHBondContact O-N 2.89Å; E177-M179 PolarHBondContact O-N 3.1Å; E177-M179 VanDerWaalsContact O-N 3.08Å; M179-P181 WeakPolarHBondContact O-CD 3.24Å
180	R	98.1	Very high	97.2	Very high	83 Å²	83	29.1 Å²	29.1	31%	0.313	15%	0.153	S	C	.	.			trans	-60.6	121.3	174.8	177.9	174.6	56.3	96.9	0.1	109.9	P87 F176 E177 E178	P87-R180 WeakPolarHBondContact O-CD 3.42Å; P87-R180 PolarHBondContact O-NH1 2.75Å; F176-R180 HydrophobicContact CB-CB 4.41Å; F176-R180 PolarHBondContact N-O 3.06Å; E177-R180 WeakPolarHBondContact O-CB 3.46Å; E177-R180 PolarHBondContact O-N 2.92Å; E177-R180 VanDerWaalsContact O-N 3.1Å; E178-R180 PolarHBondContact O-N 2.9Å
181	P	98.7	Very high	97.2	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.013	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	141.5	178.2	35.6	-39.5	0	0	0	110.4	N88 M145 I149 V173 L174 M179	N88-P181 PolarHBondContact ND2-O 3.37Å; M145-P181 WeakPolarHBondContact O-CG 3.44Å; I149-P181 HydrophobicContact CD1-CB 4.37Å; I149-P181 HydrophobicContact CG1-CB 3.77Å; I149-P181 HydrophobicContact CG1-CG 4.15Å; V173-P181 HydrophobicContact CG1-CB 3.66Å; L174-P181 CarbonylContact O-C 3.54Å; L174-P181 WeakPolarHBondContact O-CA 3.43Å; M179-P181 WeakPolarHBondContact O-CD 3.24Å
182	V	98.9	Very high	97.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	118.5	177.4	178.6	0	0	0	0	108.7	L89 L90 L174 F176	L89-V182 VanDerWaalsContact C-CG1 3.47Å; L90-V182 VanDerWaalsContact CA-CG1 3.45Å; L90-V182 HydrophobicContact CB-CG1 3.83Å; L90-V182 HydrophobicContact CD1-CG1 4.15Å; L90-V182 VanDerWaalsContact N-CG1 3.31Å; L174-V182 HydrophobicContact CB-CB 4.46Å; L174-V182 PolarHBondContact N-O 3.43Å; L174-V182 PolarHBondContact O-N 2.84Å; F176-V182 HydrophobicContact CB-CG2 4.47Å; F176-V182 HydrophobicContact CD2-CB 3.78Å; F176-V182 HydrophobicContact CD2-CG1 4.48Å; F176-V182 HydrophobicContact CD2-CG2 3.31Å; F176-V182 HydrophobicContact CE2-CB 3.8Å; F176-V182 HydrophobicContact CE2-CG1 4.05Å; F176-V182 HydrophobicContact CE2-CG2 3.71Å; F176-V182 HydrophobicContact CG-CG2 4.06Å
183	L	98.8	Very high	97.3	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	136.3	176.7	-66.9	175.3	0	0	0	110.8	N88 L89 L90 I149 L153 I168 V173 F186	N88-L183 PolarHBondContact O-N 3.44Å; L89-L183 HydrophobicContact CD2-CB 4.17Å; L89-L183 HydrophobicContact CD2-CD1 4.12Å; L90-L183 WeakPolarHBondContact CB-O 3.29Å; L90-L183 PolarHBondContact N-O 2.93Å; I149-L183 HydrophobicContact CG2-CD2 4.14Å; L153-L183 HydrophobicContact CD2-CD1 3.92Å; L153-L183 HydrophobicContact CG-CD1 3.97Å; I168-L183 HydrophobicContact CD1-CD1 4.44Å; I168-L183 HydrophobicContact CD1-CD2 3.6Å; V173-L183 HydrophobicContact CG2-CD2 4.17Å; L183-F186 HydrophobicContact CB-CE1 4.48Å; L183-F186 HydrophobicContact CB-CZ 4.4Å; L183-F186 WeakPolarHBondContact O-CZ 3.21Å
184	M	96.9	Very high	97.2	Very high	33 Å²	33	35.8 Å²	35.8	16%	0.163	19%	0.186	C	C	.	.			trans	-135.5	172.1	175.8	69.4	166.9	-74	0	0	110.9	L90 H165 N172 L174	L90-M184 HydrophobicContact CB-CB 4.15Å; L90-M184 HydrophobicContact CD2-CB 3.63Å; H165-M184 PolarHBondContact CE1-O 3.3Å; H165-M184 PolarHBondContact NE2-O 2.93Å; N172-M184 HydrophobicContact CB-CG 4.5Å; N172-M184 WeakPolarHBondContact O-CG 2.97Å; N172-M184 PolarHBondContact O-N 2.63Å; L174-M184 HydrophobicContact CD1-CB 4.39Å; L174-M184 HydrophobicContact CD1-CG 4.49Å; L174-M184 HydrophobicContact CD1-SD 3.78Å; L174-M184 HydrophobicContact CD2-SD 3.77Å; L174-M184 HydrophobicContact CG-CG 4.18Å; L174-M184 HydrophobicContact CG-SD 3.49Å; L174-M184 WeakPolarHBondContact CG-SD 3.05Å
185	D	94.6	Very high	97.2	Very high	43 Å²	43	38 Å²	38	23%	0.23	20%	0.202	C	C	.	.			trans	68.5	67.7	175.8	-152.6	22.7	0	0	0	113.9	K60 H165 G187	K60-D185 IonicContact NZ-OD1 2.84Å; K60-D185 PolarHBondContact NZ-OD1 2.96Å; H165-D185 PolarHBondContact CE1-O 2.84Å; H165-D185 VanDerWaalsContact CE1-O 3.27Å; D185-G187 PolarHBondContact O-N 3.35Å
186	F	96.8	Very high	97.1	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.013	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-83.2	16.5	-178	-56.6	-77.4	0	0	0	113.6	F79 Q80 L83 L89 L90 L156 H165 L183 S188 V189	F79-F186 HydrophobicContact CD1-CB 3.76Å; F79-F186 HydrophobicContact CD1-CG 4.23Å; F79-F186 HydrophobicContact CE1-CB 4.04Å; F79-F186 HydrophobicContact CE1-CD1 4.06Å; F79-F186 HydrophobicContact CE1-CG 4.16Å; Q80-F186 HydrophobicContact CB-CD2 4.09Å; Q80-F186 HydrophobicContact CG-CD2 3.55Å; Q80-F186 HydrophobicContact CG-CE2 3.81Å; L83-F186 HydrophobicContact CD1-CD1 4.28Å; L83-F186 HydrophobicContact CD1-CD2 4.05Å; L83-F186 HydrophobicContact CD1-CE1 3.97Å; L83-F186 HydrophobicContact CD1-CE2 3.72Å; L83-F186 HydrophobicContact CD1-CG 4.31Å; L83-F186 HydrophobicContact CD1-CZ 3.67Å; L89-F186 HydrophobicContact CB-CZ 4.41Å; L89-F186 HydrophobicContact CD2-CE1 4.09Å; L89-F186 HydrophobicContact CD2-CZ 4.05Å; L90-F186 HydrophobicContact CB-CE2 4.45Å; L156-F186 HydrophobicContact CD1-CE1 4.29Å; L156-F186 HydrophobicContact CD2-CE1 4.25Å; H165-F186 AromaticContact CD2-CD1 3.85Å; H165-F186 AromaticContact CD2-CE1 3.93Å; H165-F186 AromaticContact NE2-CD1 3.97Å; L183-F186 HydrophobicContact CB-CE1 4.48Å; L183-F186 HydrophobicContact CB-CZ 4.4Å; L183-F186 WeakPolarHBondContact O-CZ 3.21Å; F186-S188 VanDerWaalsContact C-N 3.26Å; F186-S188 PolarHBondContact O-N 3.47Å; F186-V189 HydrophobicContact CB-CG2 3.73Å; F186-V189 HydrophobicContact CD1-CG2 3.87Å; F186-V189 HydrophobicContact CG-CG2 4.3Å; F186-V189 WeakPolarHBondContact O-CB 3.49Å; F186-V189 WeakPolarHBondContact O-CG2 3.48Å; F186-V189 PolarHBondContact O-N 2.89Å
187	G	94.6	Very high	97.1	Very high	35 Å²	35	43.8 Å²	43.8	36%	0.361	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-63.5	-31	-179.3	0	0	0	0	0	113.4	D185 V189	D185-G187 PolarHBondContact O-N 3.35Å; G187-V189 VanDerWaalsContact C-N 3.34Å
188	S	96.5	Very high	97.2	Very high	9 Å²	9	41.1 Å²	41.1	6%	0.063	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-88.9	4.5	178.5	-51.6	0	0	0	0	113.8	H165 R166 F186 T190 F208 N212	H165-S188 CarbonylContact O-C 3.39Å; R166-S188 WeakPolarHBondContact CB-O 3.29Å; R166-S188 WeakPolarHBondContact CG-O 3.47Å; F186-S188 VanDerWaalsContact C-N 3.26Å; F186-S188 PolarHBondContact O-N 3.47Å; S188-T190 PolarHBondContact O-N 2.87Å; S188-F208 WeakPolarHBondContact O-CZ 3.27Å; S188-N212 WeakPolarHBondContact CB-O 3.37Å; S188-N212 PolarHBondContact OG-O 2.64Å
189	V	98.2	Very high	97.3	Very high	10 Å²	10	37.9 Å²	37.9	6%	0.061	21%	0.206	C	C	.	.			trans	-66	131.6	-175	165.8	0	0	0	0	111.9	F79 M163 S164 F186 G187	F79-V189 HydrophobicContact CD1-CB 4.37Å; F79-V189 HydrophobicContact CD1-CG1 4.22Å; F79-V189 HydrophobicContact CD1-CG2 4.41Å; F79-V189 HydrophobicContact CD2-CG1 4.34Å; F79-V189 HydrophobicContact CE1-CB 4.14Å; F79-V189 HydrophobicContact CE1-CG1 3.74Å; F79-V189 HydrophobicContact CE1-CG2 3.93Å; F79-V189 HydrophobicContact CE2-CG1 3.9Å; F79-V189 HydrophobicContact CG-CG1 4.5Å; F79-V189 HydrophobicContact CZ-CB 4.46Å; F79-V189 HydrophobicContact CZ-CG1 3.58Å; F79-V189 HydrophobicContact CZ-CG2 4.48Å; M163-V189 HydrophobicContact CB-CG1 3.89Å; M163-V189 HydrophobicContact CE-CG1 3.38Å; M163-V189 HydrophobicContact CG-CG1 4.25Å; S164-V189 WeakPolarHBondContact O-CA 3.23Å; F186-V189 HydrophobicContact CB-CG2 3.73Å; F186-V189 HydrophobicContact CD1-CG2 3.87Å; F186-V189 HydrophobicContact CG-CG2 4.3Å; F186-V189 WeakPolarHBondContact O-CB 3.49Å; F186-V189 WeakPolarHBondContact O-CG2 3.48Å; F186-V189 PolarHBondContact O-N 2.89Å; G187-V189 VanDerWaalsContact C-N 3.34Å
190	T	98	Very high	97.4	Very high	6 Å²	6	46.9 Å²	46.9	4%	0.037	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	165.7	175.3	70.4	0	0	0	0	110.6	M163 S164 R166 S188 S192 F208	M163-T190 WeakPolarHBondContact CA-O 3.49Å; M163-T190 WeakPolarHBondContact CE-O 3.46Å; S164-T190 PolarHBondContact N-O 3.45Å; S164-T190 PolarHBondContact O-N 2.93Å; R166-T190 HydrophobicContact CG-CG2 4.26Å; R166-T190 PolarHBondContact NE-OG1 3.02Å; S188-T190 PolarHBondContact O-N 2.87Å; T190-S192 PolarHBondContact O-N 3.35Å; T190-F208 HydrophobicContact CG2-CE1 3.86Å; T190-F208 HydrophobicContact CG2-CE2 3.92Å; T190-F208 HydrophobicContact CG2-CZ 3.37Å
191	P	98.3	Very high	97.3	Very high	58 Å²	58	44.6 Å²	44.6	38%	0.377	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-48	142.7	161.1	-26.9	36	0	0	0	110.9	R166 I193 L194	R166-P191 PolarHBondContact NH2-O 3.3Å; P191-I193 VanDerWaalsContact C-N 3.3Å; P191-I193 PolarHBondContact O-N 3.46Å; P191-L194 HydrophobicContact CB-CD2 4.13Å; P191-L194 HydrophobicContact CG-CD2 4.47Å; P191-L194 WeakPolarHBondContact O-CD2 3.44Å
192	S	98.3	Very high	97.2	Very high	12 Å²	12	45 Å²	45	8%	0.084	24%	0.237	C	C	.	.	S	Bend	trans	-62.5	-38.3	-175.4	54	0	0	0	0	112.4	P162 S164 R166 T190 T232 E233	P162-S192 WeakPolarHBondContact CB-OG 3.48Å; P162-S192 VanDerWaalsContact O-CB 3.27Å; P162-S192 WeakPolarHBondContact O-CB 3.22Å; P162-S192 PolarHBondContact O-N 3.21Å; P162-S192 PolarHBondContact O-OG 3.2Å; S164-S192 WeakPolarHBondContact OG-CA 3.21Å; R166-S192 PolarHBondContact NH2-O 3.26Å; T190-S192 PolarHBondContact O-N 3.35Å; S192-T232 CarbonylContact O-C 3.58Å; S192-T232 WeakPolarHBondContact O-CA 3.48Å; S192-E233 PolarHBondContact O-N 2.92Å
193	I	98.3	Very high	97.1	Very high	94 Å²	94	50.9 Å²	50.9	48%	0.482	27%	0.265	S	S	.	.			trans	-104.9	121.4	175.6	-57.1	175.7	0	0	0	108.6	P191 N230 I231	P191-I193 VanDerWaalsContact C-N 3.3Å; P191-I193 PolarHBondContact O-N 3.46Å; I193-N230 HydrophobicContact CG2-CB 4.08Å; I193-I231 WeakPolarHBondContact CA-O 3.35Å
194	L	97.6	Very high	97.1	Very high	7 Å²	7	56.1 Å²	56.1	4%	0.037	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	103.2	174.2	-54	174.8	0	0	0	108.5	P191 W205 I231	P191-L194 HydrophobicContact CB-CD2 4.13Å; P191-L194 HydrophobicContact CG-CD2 4.47Å; P191-L194 WeakPolarHBondContact O-CD2 3.44Å; L194-W205 HydrophobicContact CB-CD2 4.39Å; L194-W205 HydrophobicContact CB-CZ2 3.91Å; L194-W205 HydrophobicContact CD1-CD2 3.92Å; L194-W205 HydrophobicContact CD1-CE3 3.74Å; L194-W205 HydrophobicContact CD1-CH2 3.85Å; L194-W205 HydrophobicContact CD1-CZ2 4.02Å; L194-W205 HydrophobicContact CD1-CZ3 3.7Å; L194-W205 HydrophobicContact CD2-CH2 3.64Å; L194-W205 HydrophobicContact CD2-CZ2 3.7Å; L194-W205 HydrophobicContact CD2-CZ3 4.31Å; L194-W205 HydrophobicContact CG-CH2 4.21Å; L194-W205 HydrophobicContact CG-CZ2 4.09Å; L194-I231 HydrophobicContact CB-CB 4.22Å; L194-I231 PolarHBondContact N-O 3.2Å; L194-I231 PolarHBondContact O-N 2.75Å
195	P	97.5	Very high	97.1	Very high	67 Å²	67	56.1 Å²	56.1	44%	0.435	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	139.9	176.3	-20	32.7	0	0	0	111.7	E197 N230	P195-E197 HydrophobicContact CB-CG 4.48Å; P195-N230 WeakPolarHBondContact CA-OD1 3.35Å
196	I	97.5	Very high	97.1	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.021	29%	0.293	C	S	.	.			trans	-112.6	88.7	172	-52.4	174.5	0	0	0	107.5	D201 A202 P225 I226 H228 E229 I231	I196-D201 HydrophobicContact CG2-CB 3.99Å; I196-A202 HydrophobicContact CG2-CB 3.75Å; I196-P225 HydrophobicContact CD1-CB 3.54Å; I196-I226 WeakPolarHBondContact CB-O 3.28Å; I196-I226 VanDerWaalsContact CD1-O 3.29Å; I196-I226 WeakPolarHBondContact CD1-O 3.43Å; I196-I226 WeakPolarHBondContact CG2-O 3.2Å; I196-H228 WeakPolarHBondContact O-CA 3.35Å; I196-H228 PolarHBondContact O-N 3.32Å; I196-E229 WeakPolarHBondContact CB-O 3.18Å; I196-E229 PolarHBondContact N-O 3.5Å; I196-I231 HydrophobicContact CD1-CD1 4.01Å; I196-I231 HydrophobicContact CD1-CG1 3.92Å
197	E	96.9	Very high	97.2	Very high	136 Å²	136	63.8 Å²	63.8	64%	0.636	32%	0.319	S	S	*	.			trans	-79.1	-28.3	-174.7	-60.2	-177.8	175.6	0	0	112	P195 D201 H228	P195-E197 HydrophobicContact CB-CG 4.48Å; E197-D201 WeakPolarHBondContact CB-OD2 3.5Å; E197-D201 PolarHBondContact N-OD2 2.98Å; E197-H228 PolarHBondContact O-CE1 3.26Å; E197-H228 PolarHBondContact O-ND1 2.93Å
198	N	97.1	Very high	97.3	Very high	63 Å²	63	64 Å²	64	34%	0.337	31%	0.31	S	S	.	.	S	Bend	trans	-151.8	176	-174.9	62.1	75.4	0	0	0	111.9	R200 D201 A202	N198-R200 PolarHBondContact O-N 3.34Å; N198-R200 WeakPolarHBondContact OD1-CA 3.4Å; N198-R200 WeakPolarHBondContact OD1-CB 3.47Å; N198-R200 PolarHBondContact OD1-N 3.08Å; N198-D201 PolarHBondContact N-OD2 2.91Å; N198-D201 PolarHBondContact ND2-OD2 2.78Å; N198-D201 PolarHBondContact O-N 3.04Å; N198-D201 VanDerWaalsContact O-N 3.15Å; N198-D201 PolarHBondContact OD1-N 3.33Å; N198-A202 PolarHBondContact O-N 2.91Å
199	I	96.1	Very high	97.3	Very high	115 Å²	115	63.6 Å²	63.6	59%	0.59	31%	0.307	S	S	*	.	H	α-helix	trans	-59.8	-33.5	-178.1	-63.1	170.1	0	0	0	112.1	D201 A202 E203 T227	I199-D201 VanDerWaalsContact C-N 3.34Å; I199-D201 PolarHBondContact O-N 3.4Å; I199-A202 WeakPolarHBondContact O-CB 3.37Å; I199-A202 PolarHBondContact O-N 2.92Å; I199-E203 HydrophobicContact CG2-CG 4.34Å; I199-E203 WeakPolarHBondContact O-CG 3.39Å; I199-E203 PolarHBondContact O-N 3.27Å; I199-T227 HydrophobicContact CG1-CG2 3.86Å
200	R	96.9	Very high	97.2	Very high	203 Å²	203	68.4 Å²	68.4	77%	0.766	33%	0.328	S	S	*	.	H	α-helix	trans	-68.3	-35.9	179.4	-56.4	177.9	177.2	174.9	-1	111.6	N198 A202 K204	N198-R200 PolarHBondContact O-N 3.34Å; N198-R200 WeakPolarHBondContact OD1-CA 3.4Å; N198-R200 WeakPolarHBondContact OD1-CB 3.47Å; N198-R200 PolarHBondContact OD1-N 3.08Å; R200-A202 VanDerWaalsContact C-N 3.31Å; R200-K204 VanDerWaalsContact O-CB 3.26Å; R200-K204 WeakPolarHBondContact O-CB 3.39Å; R200-K204 PolarHBondContact O-N 3.38Å
201	D	97.1	Very high	97	Very high	35 Å²	35	74 Å²	74	19%	0.187	35%	0.354	C	S	.	.	H	α-helix	trans	-65.6	-39.5	172.9	-60.3	-39.1	0	0	0	110.6	I196 E197 N198 I199 K204 W205	I196-D201 HydrophobicContact CG2-CB 3.99Å; E197-D201 WeakPolarHBondContact CB-OD2 3.5Å; E197-D201 PolarHBondContact N-OD2 2.98Å; N198-D201 PolarHBondContact N-OD2 2.91Å; N198-D201 PolarHBondContact ND2-OD2 2.78Å; N198-D201 PolarHBondContact O-N 3.04Å; N198-D201 VanDerWaalsContact O-N 3.15Å; N198-D201 PolarHBondContact OD1-N 3.33Å; I199-D201 VanDerWaalsContact C-N 3.34Å; I199-D201 PolarHBondContact O-N 3.4Å; D201-K204 PolarHBondContact O-N 3.38Å; D201-W205 PolarHBondContact O-N 3.42Å
202	A	96.7	Very high	96.9	Very high	12 Å²	12	73.3 Å²	73.3	10%	0.099	35%	0.347	C	S	.	.	H	α-helix	trans	-62.6	-46.9	177.1	0	0	0	0	0	111.3	I196 N198 I199 R200 W205 K206 P225	I196-A202 HydrophobicContact CG2-CB 3.75Å; N198-A202 PolarHBondContact O-N 2.91Å; I199-A202 WeakPolarHBondContact O-CB 3.37Å; I199-A202 PolarHBondContact O-N 2.92Å; R200-A202 VanDerWaalsContact C-N 3.31Å; A202-W205 PolarHBondContact O-N 3.31Å; A202-K206 WeakPolarHBondContact O-CB 3.45Å; A202-K206 PolarHBondContact O-N 2.99Å; A202-P225 HydrophobicContact CB-CB 4.09Å
203	E	97.2	Very high	96.8	Very high	123 Å²	123	73.1 Å²	73.1	58%	0.575	35%	0.346	S	S	*	.	H	α-helix	trans	-61	-45.9	175.6	-71.9	174.7	161.5	0	0	111.7	I199 W205 K206 E207	I199-E203 HydrophobicContact CG2-CG 4.34Å; I199-E203 WeakPolarHBondContact O-CG 3.39Å; I199-E203 PolarHBondContact O-N 3.27Å; E203-W205 PolarHBondContact O-N 3.23Å; E203-K206 WeakPolarHBondContact O-CB 3.41Å; E203-K206 PolarHBondContact O-N 3.03Å; E203-E207 PolarHBondContact O-N 3.13Å
204	K	97	Very high	96.7	Very high	110 Å²	110	69.7 Å²	69.7	48%	0.478	33%	0.331	S	S	.	.	H	α-helix	trans	-57.6	-47.4	176.7	174	-170.5	171.1	-170.3	0	112.1	R200 D201 K206 E207 F208	R200-K204 VanDerWaalsContact O-CB 3.26Å; R200-K204 WeakPolarHBondContact O-CB 3.39Å; R200-K204 PolarHBondContact O-N 3.38Å; D201-K204 PolarHBondContact O-N 3.38Å; K204-K206 VanDerWaalsContact C-N 3.33Å; K204-E207 PolarHBondContact O-N 2.67Å; K204-F208 WeakPolarHBondContact O-CB 3.43Å; K204-F208 PolarHBondContact O-N 2.92Å
205	W	96.8	Very high	96.7	Very high	33 Å²	33	72.4 Å²	72.4	13%	0.125	35%	0.345	C	S	.	.	H	α-helix	trans	-73.8	-27.1	-178.2	-67.6	126.8	0	0	0	112.9	L194 D201 A202 E203 F208 A209 P225 I231	L194-W205 HydrophobicContact CB-CD2 4.39Å; L194-W205 HydrophobicContact CB-CZ2 3.91Å; L194-W205 HydrophobicContact CD1-CD2 3.92Å; L194-W205 HydrophobicContact CD1-CE3 3.74Å; L194-W205 HydrophobicContact CD1-CH2 3.85Å; L194-W205 HydrophobicContact CD1-CZ2 4.02Å; L194-W205 HydrophobicContact CD1-CZ3 3.7Å; L194-W205 HydrophobicContact CD2-CH2 3.64Å; L194-W205 HydrophobicContact CD2-CZ2 3.7Å; L194-W205 HydrophobicContact CD2-CZ3 4.31Å; L194-W205 HydrophobicContact CG-CH2 4.21Å; L194-W205 HydrophobicContact CG-CZ2 4.09Å; D201-W205 PolarHBondContact O-N 3.42Å; A202-W205 PolarHBondContact O-N 3.31Å; E203-W205 PolarHBondContact O-N 3.23Å; W205-F208 HydrophobicContact CE3-CB 4.07Å; W205-F208 HydrophobicContact CE3-CD1 4.16Å; W205-F208 HydrophobicContact CE3-CG 4.08Å; W205-F208 HydrophobicContact CZ3-CD1 4.48Å; W205-F208 HydrophobicContact CZ3-CG 4.28Å; W205-A209 WeakPolarHBondContact O-CB 3.49Å; W205-A209 PolarHBondContact O-N 2.91Å; W205-P225 HydrophobicContact CB-CG 4.44Å; W205-I231 HydrophobicContact CB-CD1 3.59Å; W205-I231 HydrophobicContact CG-CD1 3.91Å
206	K	96.5	Very high	96.6	Very high	91 Å²	91	70.1 Å²	70.1	40%	0.396	33%	0.33	S	S	.	.	H	α-helix	trans	-66.3	-49.2	169.7	-174.8	-177.9	175.9	-174.5	0	111.6	A202 E203 K204 F208 A209 E210 P225	A202-K206 WeakPolarHBondContact O-CB 3.45Å; A202-K206 PolarHBondContact O-N 2.99Å; E203-K206 WeakPolarHBondContact O-CB 3.41Å; E203-K206 PolarHBondContact O-N 3.03Å; K204-K206 VanDerWaalsContact C-N 3.33Å; K206-F208 VanDerWaalsContact C-N 3.34Å; K206-F208 PolarHBondContact O-N 3.1Å; K206-A209 PolarHBondContact O-N 2.83Å; K206-A209 VanDerWaalsContact O-N 3.15Å; K206-E210 WeakPolarHBondContact CE-OE1 3.27Å; K206-E210 WeakPolarHBondContact O-CG 3.45Å; K206-E210 PolarHBondContact O-N 2.9Å; K206-P225 HydrophobicContact CB-CG 4.05Å
207	E	96.9	Very high	96.7	Very high	117 Å²	117	70.5 Å²	70.5	55%	0.547	33%	0.331	S	S	.	.	H	α-helix	trans	-59.9	-45.5	176	-176.6	178.2	-165.7	0	0	110.9	E203 K204 A209 E210 E211	E203-E207 PolarHBondContact O-N 3.13Å; K204-E207 PolarHBondContact O-N 2.67Å; E207-A209 VanDerWaalsContact C-N 3.31Å; E207-A209 PolarHBondContact O-N 2.9Å; E207-E210 WeakPolarHBondContact O-CB 3.24Å; E207-E210 PolarHBondContact O-N 3.38Å; E207-E211 PolarHBondContact O-N 3.46Å
208	F	96.9	Very high	96.7	Very high	39 Å²	39	64.8 Å²	64.8	17%	0.171	30%	0.303	C	S	.	.	H	α-helix	trans	-54.3	-47	173	171.5	-92.6	0	0	0	111.9	R166 S188 T190 K204 W205 K206 E211 N212	R166-F208 HydrophobicContact CB-CE1 4.44Å; R166-F208 HydrophobicContact CG-CE1 4.39Å; S188-F208 WeakPolarHBondContact O-CZ 3.27Å; T190-F208 HydrophobicContact CG2-CE1 3.86Å; T190-F208 HydrophobicContact CG2-CE2 3.92Å; T190-F208 HydrophobicContact CG2-CZ 3.37Å; K204-F208 WeakPolarHBondContact O-CB 3.43Å; K204-F208 PolarHBondContact O-N 2.92Å; W205-F208 HydrophobicContact CE3-CB 4.07Å; W205-F208 HydrophobicContact CE3-CD1 4.16Å; W205-F208 HydrophobicContact CE3-CG 4.08Å; W205-F208 HydrophobicContact CZ3-CD1 4.48Å; W205-F208 HydrophobicContact CZ3-CG 4.28Å; K206-F208 VanDerWaalsContact C-N 3.34Å; K206-F208 PolarHBondContact O-N 3.1Å; F208-E211 PolarHBondContact O-N 2.84Å; F208-N212 HydrophobicContact CD2-CB 4.3Å; F208-N212 VanDerWaalsContact CD2-ND2 3.29Å; F208-N212 WeakPolarHBondContact CD2-ND2 3.32Å; F208-N212 HydrophobicContact CE1-CB 4.19Å; F208-N212 HydrophobicContact CE2-CB 3.85Å; F208-N212 WeakPolarHBondContact CE2-ND2 3.32Å; F208-N212 HydrophobicContact CZ-CB 3.77Å; F208-N212 VanDerWaalsContact O-CB 3.25Å; F208-N212 WeakPolarHBondContact O-CB 3.28Å; F208-N212 PolarHBondContact O-N 2.79Å; F208-N212 PolarHBondContact O-ND2 3.03Å
209	A	97.1	Very high	96.8	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66.8	-37	-179.9	0	0	0	0	0	112.6	W205 K206 E207 E211 C213 R218 L222	W205-A209 WeakPolarHBondContact O-CB 3.49Å; W205-A209 PolarHBondContact O-N 2.91Å; K206-A209 PolarHBondContact O-N 2.83Å; K206-A209 VanDerWaalsContact O-N 3.15Å; E207-A209 VanDerWaalsContact C-N 3.31Å; E207-A209 PolarHBondContact O-N 2.9Å; A209-E211 VanDerWaalsContact C-N 3.29Å; A209-E211 PolarHBondContact O-N 2.85Å; A209-C213 HydrophobicContact CB-CB 4.44Å; A209-C213 WeakPolarHBondContact O-CA 3.45Å; A209-C213 VanDerWaalsContact O-CB 3.28Å; A209-C213 WeakPolarHBondContact O-CB 3.34Å; A209-C213 PolarHBondContact O-N 3.21Å; A209-R218 PolarHBondContact O-NE 2.96Å; A209-R218 PolarHBondContact O-NH2 2.91Å; A209-L222 HydrophobicContact CB-CB 3.76Å; A209-L222 HydrophobicContact CB-CD2 4.07Å; A209-L222 HydrophobicContact CB-CG 4.39Å; A209-L222 WeakPolarHBondContact CB-O 3.4Å
210	E	96.3	Very high	96.9	Very high	111 Å²	111	56.7 Å²	56.7	52%	0.519	26%	0.262	S	S	.	.	H	α-helix	trans	-58.9	-41.4	174.7	-75.9	175.6	-171.8	0	0	112.1	K206 E207 R218	K206-E210 WeakPolarHBondContact CE-OE1 3.27Å; K206-E210 WeakPolarHBondContact O-CG 3.45Å; K206-E210 PolarHBondContact O-N 2.9Å; E207-E210 WeakPolarHBondContact O-CB 3.24Å; E207-E210 PolarHBondContact O-N 3.38Å; E210-R218 PolarHBondContact O-NH2 2.84Å
211	E	94.4	Very high	96.9	Very high	124 Å²	124	48.1 Å²	48.1	58%	0.579	23%	0.23	S	C	*	.	H	α-helix	trans	-80.7	-37.9	179.1	-68.2	-173.6	162.4	0	0	114.1	E207 F208 A209	E207-E211 PolarHBondContact O-N 3.46Å; F208-E211 PolarHBondContact O-N 2.84Å; A209-E211 VanDerWaalsContact C-N 3.29Å; A209-E211 PolarHBondContact O-N 2.85Å
212	N	95	Very high	96.9	Very high	43 Å²	43	46.6 Å²	46.6	23%	0.23	22%	0.222	C	C	.	.	H	α-helix	trans	-114.8	-10.8	-162.6	-60.4	-85.9	0	0	0	114.3	S188 F208	S188-N212 WeakPolarHBondContact CB-O 3.37Å; S188-N212 PolarHBondContact OG-O 2.64Å; F208-N212 HydrophobicContact CD2-CB 4.3Å; F208-N212 VanDerWaalsContact CD2-ND2 3.29Å; F208-N212 WeakPolarHBondContact CD2-ND2 3.32Å; F208-N212 HydrophobicContact CE1-CB 4.19Å; F208-N212 HydrophobicContact CE2-CB 3.85Å; F208-N212 WeakPolarHBondContact CE2-ND2 3.32Å; F208-N212 HydrophobicContact CZ-CB 3.77Å; F208-N212 VanDerWaalsContact O-CB 3.25Å; F208-N212 WeakPolarHBondContact O-CB 3.28Å; F208-N212 PolarHBondContact O-N 2.79Å; F208-N212 PolarHBondContact O-ND2 3.03Å
213	C	96.3	Very high	96.9	Very high	8 Å²	8	47.2 Å²	47.2	5%	0.054	22%	0.223	C	C	.	.	S	Bend	trans	-114.2	135	-179.3	-58.4	0	0	0	0	111.2	R166 A209 L215 R218	R166-C213 PolarHBondContact O-SG 2.96Å; A209-C213 HydrophobicContact CB-CB 4.44Å; A209-C213 WeakPolarHBondContact O-CA 3.45Å; A209-C213 VanDerWaalsContact O-CB 3.28Å; A209-C213 WeakPolarHBondContact O-CB 3.34Å; A209-C213 PolarHBondContact O-N 3.21Å; C213-L215 PolarHBondContact O-N 2.73Å; C213-R218 HydrophobicContact CB-CB 4.4Å; C213-R218 HydrophobicContact CB-CG 4.08Å; C213-R218 PolarHBondContact O-NE 2.8Å; C213-R218 PolarHBondContact O-NH2 3.36Å
214	S	96.6	Very high	96.8	Very high	23 Å²	23	46.3 Å²	46.3	16%	0.161	22%	0.222	C	C	.	.			trans	-66.6	122.9	177.9	-61.7	0	0	0	0	111.9	D167 K169 T216 Y217 R218	D167-S214 WeakPolarHBondContact OD1-CB 3.46Å; D167-S214 PolarHBondContact OD1-N 3.41Å; D167-S214 PolarHBondContact OD1-OG 2.74Å; D167-S214 PolarHBondContact OD2-OG 3.24Å; K169-S214 WeakPolarHBondContact CD-OG 3.24Å; K169-S214 VanDerWaalsContact CE-OG 3.27Å; K169-S214 WeakPolarHBondContact CE-OG 3.36Å; K169-S214 PolarHBondContact NZ-OG 3.46Å; S214-T216 VanDerWaalsContact C-N 3.29Å; S214-T216 PolarHBondContact O-N 2.78Å; S214-T216 VanDerWaalsContact O-N 3.12Å; S214-Y217 CarbonylContact O-C 3.53Å; S214-Y217 PolarHBondContact O-N 3.35Å; S214-R218 WeakPolarHBondContact O-CB 3.24Å; S214-R218 PolarHBondContact O-N 3.16Å
215	L	96.9	Very high	96.6	Very high	64 Å²	64	41.7 Å²	41.7	34%	0.335	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-44.4	-171.3	179.3	65.4	0	0	0	113.8	C213 Y217 F223 H258 V264	C213-L215 PolarHBondContact O-N 2.73Å; L215-Y217 VanDerWaalsContact C-N 3.33Å; L215-Y217 PolarHBondContact O-N 2.9Å; L215-F223 HydrophobicContact CD1-CE1 3.6Å; L215-F223 HydrophobicContact CD1-CZ 3.81Å; L215-H258 WeakPolarHBondContact CD2-ND1 3.47Å; L215-V264 HydrophobicContact CD1-CB 4.32Å; L215-V264 HydrophobicContact CD1-CG1 4.24Å; L215-V264 HydrophobicContact CD2-CG2 4.43Å; L215-V264 HydrophobicContact CG-CB 4.32Å; L215-V264 HydrophobicContact CG-CG1 4.17Å; L215-V264 HydrophobicContact CG-CG2 4.41Å; L215-V264 WeakPolarHBondContact O-CG1 3.43Å
216	T	97.4	Very high	96.5	Very high	19 Å²	19	44.8 Å²	44.8	12%	0.117	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-4.1	-175.5	56.4	0	0	0	0	114.4	S214 S252 M254 D255 H258	S214-T216 VanDerWaalsContact C-N 3.29Å; S214-T216 PolarHBondContact O-N 2.78Å; S214-T216 VanDerWaalsContact O-N 3.12Å; T216-S252 PolarHBondContact O-OG 3.43Å; T216-M254 HydrophobicContact CG2-CB 4.1Å; T216-M254 WeakPolarHBondContact O-CB 3.39Å; T216-D255 WeakPolarHBondContact CB-OD1 3.45Å; T216-D255 VanDerWaalsContact CG2-OD1 3.26Å; T216-D255 WeakPolarHBondContact CG2-OD1 3.34Å; T216-D255 PolarHBondContact OG1-OD1 3.12Å; T216-H258 HydrophobicContact CG2-CB 4.13Å
217	Y	98.3	Very high	96.4	Very high	11 Å²	11	43 Å²	43	4%	0.043	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-5.1	173	-67.6	-99.5	0	0	0	111.9	I168 K169 P170 S214 L215 S239 C242 L243	I168-Y217 WeakPolarHBondContact O-CB 3.11Å; I168-Y217 WeakPolarHBondContact O-CD1 3.32Å; K169-Y217 HydrophobicContact CB-CD1 4Å; K169-Y217 HydrophobicContact CB-CD2 3.8Å; K169-Y217 HydrophobicContact CB-CE1 4.2Å; K169-Y217 HydrophobicContact CB-CE2 4.02Å; K169-Y217 HydrophobicContact CB-CG 3.82Å; P170-Y217 VanDerWaalsContact CD-CE1 3.41Å; P170-Y217 WeakPolarHBondContact CD-OH 3.31Å; P170-Y217 HydrophobicContact CG-CE1 4.32Å; P170-Y217 WeakPolarHBondContact CG-OH 3.21Å; S214-Y217 CarbonylContact O-C 3.53Å; S214-Y217 PolarHBondContact O-N 3.35Å; L215-Y217 VanDerWaalsContact C-N 3.33Å; L215-Y217 PolarHBondContact O-N 2.9Å; Y217-S239 PolarHBondContact O-OG 2.87Å; Y217-C242 HydrophobicContact CD1-CB 3.43Å; Y217-C242 VanDerWaalsContact CD1-CB 3.43Å; Y217-C242 HydrophobicContact CE1-CB 3.72Å; Y217-C242 HydrophobicContact CG-CB 4.21Å; Y217-L243 HydrophobicContact CE1-CB 4.34Å
218	R	98.3	Very high	96.3	Very high	17 Å²	17	44.8 Å²	44.8	6%	0.064	23%	0.226	C	C	.	.			trans	-67	133.6	-175.7	-172.8	-178.1	-55.9	167.3	2.6	111.2	A209 E210 C213 S214 L222 F223 W238	A209-R218 PolarHBondContact O-NE 2.96Å; A209-R218 PolarHBondContact O-NH2 2.91Å; E210-R218 PolarHBondContact O-NH2 2.84Å; C213-R218 HydrophobicContact CB-CB 4.4Å; C213-R218 HydrophobicContact CB-CG 4.08Å; C213-R218 PolarHBondContact O-NE 2.8Å; C213-R218 PolarHBondContact O-NH2 3.36Å; S214-R218 WeakPolarHBondContact O-CB 3.24Å; S214-R218 PolarHBondContact O-N 3.16Å; R218-L222 HydrophobicContact CG-CB 3.67Å; R218-L222 HydrophobicContact CG-CD1 4.19Å; R218-F223 HydrophobicContact CB-CE2 3.71Å; R218-F223 HydrophobicContact CB-CZ 3.76Å; R218-F223 HydrophobicContact CG-CD2 4.18Å; R218-F223 HydrophobicContact CG-CE1 4.5Å; R218-F223 HydrophobicContact CG-CE2 3.81Å; R218-F223 HydrophobicContact CG-CZ 3.99Å; R218-F223 WeakPolarHBondContact O-CE2 3.47Å; R218-W238 PolarHBondContact O-NE1 2.96Å; R218-W238 VanDerWaalsContact O-NE1 3.08Å
219	A	98.1	Very high	96.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.			trans	-71.8	151	178.3	0	0	0	0	0	112.7	E221 L222 F223 A235 W238	A219-E221 VanDerWaalsContact C-N 3.32Å; A219-E221 HydrophobicContact CB-CG 4.48Å; A219-E221 WeakPolarHBondContact CB-OE2 3.27Å; A219-E221 PolarHBondContact O-N 3.03Å; A219-L222 HydrophobicContact CB-CD1 4.21Å; A219-L222 WeakPolarHBondContact O-CB 3.49Å; A219-L222 PolarHBondContact O-N 3.42Å; A219-F223 WeakPolarHBondContact O-CD2 3.4Å; A219-A235 HydrophobicContact CB-CB 3.87Å; A219-W238 VanDerWaalsContact CA-CD1 3.45Å; A219-W238 HydrophobicContact CB-CB 3.82Å; A219-W238 HydrophobicContact CB-CG 3.86Å
220	P	97.7	Very high	96.2	Very high	8 Å²	8	52 Å²	52	5%	0.052	26%	0.263	C	S	.	.	H	α-helix	trans	-52.1	-44.7	179.5	-29.8	36.1	0	0	0	114.3	L222 F223 N224 W238 A268	P220-L222 PolarHBondContact O-N 3.26Å; P220-L222 VanDerWaalsContact O-N 3.14Å; P220-F223 WeakPolarHBondContact O-CB 3.45Å; P220-F223 PolarHBondContact O-N 3.25Å; P220-N224 PolarHBondContact O-N 2.91Å; P220-N224 VanDerWaalsContact O-N 3.11Å; P220-W238 VanDerWaalsContact CD-CD2 3.44Å; P220-W238 HydrophobicContact CG-CD2 4.19Å; P220-W238 HydrophobicContact CG-CE3 3.84Å; P220-W238 HydrophobicContact CG-CH2 3.61Å; P220-W238 HydrophobicContact CG-CZ2 3.96Å; P220-W238 HydrophobicContact CG-CZ3 3.52Å; P220-A268 HydrophobicContact CG-CB 4.3Å; P220-A268 WeakPolarHBondContact CG-O 3.4Å
221	E	97.4	Very high	96.3	Very high	22 Å²	22	46.8 Å²	46.8	10%	0.103	24%	0.238	C	C	.	.	H	α-helix	trans	-66.4	-13	179.9	66.9	-87.3	-155.8	0	0	113.6	A219 P225 A235 P299 R302	A219-E221 VanDerWaalsContact C-N 3.32Å; A219-E221 HydrophobicContact CB-CG 4.48Å; A219-E221 WeakPolarHBondContact CB-OE2 3.27Å; A219-E221 PolarHBondContact O-N 3.03Å; E221-P225 VanDerWaalsContact O-CA 3.27Å; E221-P225 WeakPolarHBondContact O-CA 3.36Å; E221-P225 WeakPolarHBondContact O-CG 3.43Å; E221-A235 WeakPolarHBondContact OE1-CA 3.36Å; E221-A235 PolarHBondContact OE1-N 3.5Å; E221-P299 HydrophobicContact CB-CG 4.3Å; E221-P299 HydrophobicContact CG-CG 4.13Å; E221-R302 IonicContact OE1-CZ 3.77Å; E221-R302 IonicContact OE1-NH1 3.57Å; E221-R302 PolarHBondContact OE1-NH1 2.94Å; E221-R302 IonicContact OE1-NH2 2.97Å; E221-R302 IonicContact OE2-CZ 3.35Å; E221-R302 IonicContact OE2-NH1 3.82Å; E221-R302 PolarHBondContact OE2-NH1 3.11Å; E221-R302 IonicContact OE2-NH2 2.88Å; E221-R302 PolarHBondContact OE2-NH2 3.42Å
222	L	97.4	Very high	96.5	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-92.8	-14.2	173.3	-68.5	171	0	0	0	112.7	A209 R218 A219 P220 I231 A235	A209-L222 HydrophobicContact CB-CB 3.76Å; A209-L222 HydrophobicContact CB-CD2 4.07Å; A209-L222 HydrophobicContact CB-CG 4.39Å; A209-L222 WeakPolarHBondContact CB-O 3.4Å; R218-L222 HydrophobicContact CG-CB 3.67Å; R218-L222 HydrophobicContact CG-CD1 4.19Å; A219-L222 HydrophobicContact CB-CD1 4.21Å; A219-L222 WeakPolarHBondContact O-CB 3.49Å; A219-L222 PolarHBondContact O-N 3.42Å; P220-L222 PolarHBondContact O-N 3.26Å; P220-L222 VanDerWaalsContact O-N 3.14Å; L222-I231 HydrophobicContact CD2-CD1 4.01Å; L222-I231 HydrophobicContact CD2-CG2 3.96Å; L222-A235 HydrophobicContact CD1-CB 4Å
223	F	96.5	Very high	96.7	Very high	24 Å²	24	42 Å²	42	11%	0.105	22%	0.216	C	C	.	.	H	α-helix	trans	-86	-38.3	168	-71.1	-75.6	0	0	0	111.9	L215 R218 A219 P220 V264 A265 A268	L215-F223 HydrophobicContact CD1-CE1 3.6Å; L215-F223 HydrophobicContact CD1-CZ 3.81Å; R218-F223 HydrophobicContact CB-CE2 3.71Å; R218-F223 HydrophobicContact CB-CZ 3.76Å; R218-F223 HydrophobicContact CG-CD2 4.18Å; R218-F223 HydrophobicContact CG-CE1 4.5Å; R218-F223 HydrophobicContact CG-CE2 3.81Å; R218-F223 HydrophobicContact CG-CZ 3.99Å; R218-F223 WeakPolarHBondContact O-CE2 3.47Å; A219-F223 WeakPolarHBondContact O-CD2 3.4Å; P220-F223 WeakPolarHBondContact O-CB 3.45Å; P220-F223 PolarHBondContact O-N 3.25Å; F223-V264 HydrophobicContact CZ-CG1 3.97Å; F223-A265 HydrophobicContact CB-CB 4.21Å; F223-A265 HydrophobicContact CD1-CB 3.54Å; F223-A265 HydrophobicContact CE1-CB 3.93Å; F223-A265 HydrophobicContact CG-CB 3.86Å; F223-A268 HydrophobicContact CD2-CB 4.14Å; F223-A268 HydrophobicContact CE2-CB 3.89Å
224	N	94.1	Very high	96.8	Very high	104 Å²	104	42.7 Å²	42.7	56%	0.556	22%	0.218	S	C	*	.	S	Bend	trans	-133.4	74.4	-179	-170.6	43	0	0	0	111	P220 I226	P220-N224 PolarHBondContact O-N 2.91Å; P220-N224 VanDerWaalsContact O-N 3.11Å; N224-I226 PolarHBondContact O-N 2.96Å
225	P	94.7	Very high	96.9	Very high	13 Å²	13	41.6 Å²	41.6	8%	0.084	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-61.3	132.3	175.2	-20.2	32.9	0	0	0	110.9	I196 A202 W205 K206 E221 I231	I196-P225 HydrophobicContact CD1-CB 3.54Å; A202-P225 HydrophobicContact CB-CB 4.09Å; W205-P225 HydrophobicContact CB-CG 4.44Å; K206-P225 HydrophobicContact CB-CG 4.05Å; E221-P225 VanDerWaalsContact O-CA 3.27Å; E221-P225 WeakPolarHBondContact O-CA 3.36Å; E221-P225 WeakPolarHBondContact O-CG 3.43Å; P225-I231 HydrophobicContact CB-CD1 4.36Å
226	I	93.6	Very high	97	Very high	98 Å²	98	38.8 Å²	38.8	50%	0.503	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-100.7	134.6	-175.1	-59	175.8	0	0	0	109.5	I196 N224 E229	I196-I226 WeakPolarHBondContact CB-O 3.28Å; I196-I226 VanDerWaalsContact CD1-O 3.29Å; I196-I226 WeakPolarHBondContact CD1-O 3.43Å; I196-I226 WeakPolarHBondContact CG2-O 3.2Å; N224-I226 PolarHBondContact O-N 2.96Å; I226-E229 HydrophobicContact CB-CB 4.2Å; I226-E229 HydrophobicContact CB-CG 3.91Å; I226-E229 HydrophobicContact CG2-CG 3.8Å; I226-E229 WeakPolarHBondContact O-CB 3.33Å; I226-E229 PolarHBondContact O-N 3.26Å
227	T	94.8	Very high	97	Very high	53 Å²	53	37.9 Å²	37.9	33%	0.325	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	142.1	175.4	54.3	0	0	0	0	111.7	I199 E229	I199-T227 HydrophobicContact CG1-CG2 3.86Å; T227-E229 PolarHBondContact O-N 3.46Å
228	H	94	Very high	97	Very high	155 Å²	155	37.4 Å²	37.4	72%	0.718	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	15.3	-175.7	-48.2	-60.3	0	0	0	115	I196 E197	I196-H228 WeakPolarHBondContact O-CA 3.35Å; I196-H228 PolarHBondContact O-N 3.32Å; E197-H228 PolarHBondContact O-CE1 3.26Å; E197-H228 PolarHBondContact O-ND1 2.93Å
229	E	95.8	Very high	97.1	Very high	109 Å²	109	36.7 Å²	36.7	51%	0.509	19%	0.186	S	C	.	.			trans	-109.6	173.3	170.3	-70.2	-77.2	174.7	0	0	110.3	I196 I226 T227	I196-E229 WeakPolarHBondContact CB-O 3.18Å; I196-E229 PolarHBondContact N-O 3.5Å; I226-E229 HydrophobicContact CB-CB 4.2Å; I226-E229 HydrophobicContact CB-CG 3.91Å; I226-E229 HydrophobicContact CG2-CG 3.8Å; I226-E229 WeakPolarHBondContact O-CB 3.33Å; I226-E229 PolarHBondContact O-N 3.26Å; T227-E229 PolarHBondContact O-N 3.46Å
230	N	96.9	Very high	97.1	Very high	82 Å²	82	36.7 Å²	36.7	44%	0.439	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.3	173.5	-64.3	-46.8	0	0	0	110.2	I193 P195 T232	I193-N230 HydrophobicContact CG2-CB 4.08Å; P195-N230 WeakPolarHBondContact CA-OD1 3.35Å; N230-T232 HydrophobicContact CB-CG2 3.94Å
231	I	98.1	Very high	97.1	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	120.6	159	-61.9	159.5	0	0	0	106.8	R166 I193 L194 I196 W205 L222 P225	R166-I231 VanDerWaalsContact NH1-CG2 3.27Å; I193-I231 WeakPolarHBondContact CA-O 3.35Å; L194-I231 HydrophobicContact CB-CB 4.22Å; L194-I231 PolarHBondContact N-O 3.2Å; L194-I231 PolarHBondContact O-N 2.75Å; I196-I231 HydrophobicContact CD1-CD1 4.01Å; I196-I231 HydrophobicContact CD1-CG1 3.92Å; W205-I231 HydrophobicContact CB-CD1 3.59Å; W205-I231 HydrophobicContact CG-CD1 3.91Å; L222-I231 HydrophobicContact CD2-CD1 4.01Å; L222-I231 HydrophobicContact CD2-CG2 3.96Å; P225-I231 HydrophobicContact CB-CD1 4.36Å
232	T	98.4	Very high	97.2	Very high	19 Å²	19	35.3 Å²	35.3	12%	0.117	18%	0.179	C	C	.	.			trans	-112.7	-176.3	-175.8	69.8	0	0	0	0	111.7	R166 S192 N230 K234 A235	R166-T232 PolarHBondContact NH1-O 3Å; S192-T232 CarbonylContact O-C 3.58Å; S192-T232 WeakPolarHBondContact O-CA 3.48Å; N230-T232 HydrophobicContact CB-CG2 3.94Å; T232-K234 PolarHBondContact O-N 3.45Å; T232-K234 VanDerWaalsContact O-N 3.11Å; T232-K234 WeakPolarHBondContact OG1-CB 3.35Å; T232-K234 VanDerWaalsContact OG1-CG 3.22Å; T232-K234 WeakPolarHBondContact OG1-CG 3.38Å; T232-K234 PolarHBondContact OG1-N 3.25Å; T232-A235 PolarHBondContact O-N 3.27Å
233	E	98.5	Very high	97.3	Very high	48 Å²	48	35.1 Å²	35.1	22%	0.224	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-14.4	172.7	80.6	-63.6	159.1	0	0	113.8	L157 S164 S192 A235 D236 V237	L157-E233 HydrophobicContact CD1-CB 4.22Å; L157-E233 HydrophobicContact CD1-CG 3.86Å; L157-E233 HydrophobicContact CD2-CB 3.72Å; L157-E233 HydrophobicContact CD2-CG 4.14Å; S164-E233 VanDerWaalsContact OG-CA 3.25Å; S164-E233 WeakPolarHBondContact OG-CA 3.49Å; S164-E233 WeakPolarHBondContact OG-CB 3.41Å; S192-E233 PolarHBondContact O-N 2.92Å; E233-A235 PolarHBondContact O-N 2.93Å; E233-A235 VanDerWaalsContact O-N 3.13Å; E233-D236 WeakPolarHBondContact O-CB 3.45Å; E233-D236 PolarHBondContact O-N 3.02Å; E233-V237 PolarHBondContact O-N 3.45Å
234	K	98.7	Very high	97.3	Very high	22 Å²	22	34 Å²	34	10%	0.096	17%	0.173	C	C	.	.	H	α-helix	trans	-60.8	-20	176.1	-62.9	-66.2	-174.6	156.4	0	113.4	T232 D236 V237 W238 P299 R302 P303	T232-K234 PolarHBondContact O-N 3.45Å; T232-K234 VanDerWaalsContact O-N 3.11Å; T232-K234 WeakPolarHBondContact OG1-CB 3.35Å; T232-K234 VanDerWaalsContact OG1-CG 3.22Å; T232-K234 WeakPolarHBondContact OG1-CG 3.38Å; T232-K234 PolarHBondContact OG1-N 3.25Å; K234-D236 VanDerWaalsContact C-N 3.3Å; K234-V237 HydrophobicContact CD-CG2 4.3Å; K234-V237 WeakPolarHBondContact O-CB 3.47Å; K234-V237 PolarHBondContact O-N 3.07Å; K234-W238 PolarHBondContact O-N 3.36Å; K234-W238 VanDerWaalsContact O-N 3.09Å; K234-P299 HydrophobicContact CB-CB 3.76Å; K234-P299 HydrophobicContact CG-CB 4.27Å; K234-P299 WeakPolarHBondContact CG-O 3.5Å; K234-R302 VanDerWaalsContact C-NH1 3.35Å; K234-R302 HydrophobicContact CD-CB 4.21Å; K234-R302 PolarHBondContact NZ-O 3.36Å; K234-R302 PolarHBondContact O-NH1 2.83Å; K234-P303 PolarHBondContact NZ-O 2.96Å
235	A	98.7	Very high	97.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.8	-38.2	169.9	0	0	0	0	0	111.7	A219 E221 L222 T232 E233 V237 W238 S239	A219-A235 HydrophobicContact CB-CB 3.87Å; E221-A235 WeakPolarHBondContact OE1-CA 3.36Å; E221-A235 PolarHBondContact OE1-N 3.5Å; L222-A235 HydrophobicContact CD1-CB 4Å; T232-A235 PolarHBondContact O-N 3.27Å; E233-A235 PolarHBondContact O-N 2.93Å; E233-A235 VanDerWaalsContact O-N 3.13Å; A235-V237 VanDerWaalsContact C-N 3.29Å; A235-V237 PolarHBondContact O-N 2.95Å; A235-W238 PolarHBondContact O-N 3.31Å; A235-S239 PolarHBondContact O-N 3.01Å; A235-S239 VanDerWaalsContact O-N 3.17Å; A235-S239 PolarHBondContact O-OG 3.16Å; A235-S239 VanDerWaalsContact O-OG 3.07Å
236	D	98.8	Very high	97.5	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.027	14%	0.143	C	C	.	.	H	α-helix	trans	-68.9	-31.2	174.6	-68.5	-22.8	0	0	0	111.1	L153 S164 H165 R166 I168 E233 K234 S239 L240	L153-D236 HydrophobicContact CD1-CB 4.28Å; L153-D236 HydrophobicContact CD2-CB 4.39Å; S164-D236 WeakPolarHBondContact CA-OD2 3.44Å; S164-D236 VanDerWaalsContact CB-OD2 3.3Å; S164-D236 WeakPolarHBondContact CB-OD2 3.42Å; H165-D236 PolarHBondContact N-OD2 2.82Å; R166-D236 VanDerWaalsContact CA-OD1 3.32Å; R166-D236 WeakPolarHBondContact CA-OD1 3.17Å; R166-D236 PolarHBondContact N-OD1 3.46Å; I168-D236 HydrophobicContact CG1-CB 4.31Å; E233-D236 WeakPolarHBondContact O-CB 3.45Å; E233-D236 PolarHBondContact O-N 3.02Å; K234-D236 VanDerWaalsContact C-N 3.3Å; D236-S239 PolarHBondContact O-N 3.4Å; D236-L240 VanDerWaalsContact O-CB 3.22Å; D236-L240 WeakPolarHBondContact O-CB 3.26Å; D236-L240 PolarHBondContact O-N 3.39Å
237	V	98.9	Very high	97.6	Very high	1 Å²	1	24 Å²	24	1%	0.006	12%	0.12	C	C	.	.	H	α-helix	trans	-65.2	-40.6	174.8	176.7	0	0	0	0	111.7	E233 K234 A235 L240 G241 M294 R302 P303 L305 I308	E233-V237 PolarHBondContact O-N 3.45Å; K234-V237 HydrophobicContact CD-CG2 4.3Å; K234-V237 WeakPolarHBondContact O-CB 3.47Å; K234-V237 PolarHBondContact O-N 3.07Å; A235-V237 VanDerWaalsContact C-N 3.29Å; A235-V237 PolarHBondContact O-N 2.95Å; V237-L240 WeakPolarHBondContact O-CB 3.44Å; V237-L240 PolarHBondContact O-N 3.41Å; V237-G241 PolarHBondContact O-N 3.15Å; V237-M294 HydrophobicContact CG1-CB 4.23Å; V237-M294 HydrophobicContact CG1-CG 4.08Å; V237-R302 HydrophobicContact CG1-CB 3.94Å; V237-P303 HydrophobicContact CG1-CG 4.45Å; V237-L305 HydrophobicContact CG2-CD2 4.16Å; V237-L305 HydrophobicContact CG2-CG 4.49Å; V237-I308 HydrophobicContact CG1-CD1 3.75Å; V237-I308 HydrophobicContact CG2-CD1 4.29Å
238	W	98.8	Very high	97.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.9	-51	172.7	171.8	-81.4	0	0	0	111.3	R218 A219 P220 K234 A235 L240 G241 C242 M254 A268 A271 L295	R218-W238 PolarHBondContact O-NE1 2.96Å; R218-W238 VanDerWaalsContact O-NE1 3.08Å; A219-W238 VanDerWaalsContact CA-CD1 3.45Å; A219-W238 HydrophobicContact CB-CB 3.82Å; A219-W238 HydrophobicContact CB-CG 3.86Å; P220-W238 VanDerWaalsContact CD-CD2 3.44Å; P220-W238 HydrophobicContact CG-CD2 4.19Å; P220-W238 HydrophobicContact CG-CE3 3.84Å; P220-W238 HydrophobicContact CG-CH2 3.61Å; P220-W238 HydrophobicContact CG-CZ2 3.96Å; P220-W238 HydrophobicContact CG-CZ3 3.52Å; K234-W238 PolarHBondContact O-N 3.36Å; K234-W238 VanDerWaalsContact O-N 3.09Å; A235-W238 PolarHBondContact O-N 3.31Å; W238-L240 PolarHBondContact O-N 3.28Å; W238-G241 WeakPolarHBondContact O-CA 3.48Å; W238-G241 PolarHBondContact O-N 2.95Å; W238-C242 PolarHBondContact O-N 2.79Å; W238-M254 HydrophobicContact CH2-CE 4.5Å; W238-M254 HydrophobicContact CZ2-CE 4Å; W238-A268 HydrophobicContact CH2-CB 4.33Å; W238-A268 VanDerWaalsContact CH2-O 3.29Å; W238-A268 WeakPolarHBondContact CH2-O 3.3Å; W238-A268 HydrophobicContact CZ2-CB 3.81Å; W238-A271 HydrophobicContact CH2-CB 4.42Å; W238-A271 HydrophobicContact CZ3-CB 4.37Å; W238-L295 HydrophobicContact CD2-CD2 4.08Å; W238-L295 HydrophobicContact CE3-CD2 4.29Å; W238-L295 HydrophobicContact CZ2-CD2 4.44Å; W238-L295 VanDerWaalsContact CZ3-C 3.47Å; W238-L295 HydrophobicContact CZ3-CB 4.4Å; W238-L295 WeakPolarHBondContact CZ3-O 3.45Å
239	S	98.8	Very high	97.5	Very high	3 Å²	3	14.8 Å²	14.8	2%	0.021	7%	0.073	C	C	.	.	H	α-helix	trans	-57.1	-37.9	177.7	-57	0	0	0	0	111.8	I168 Y217 A235 D236 G241 C242 L243	I168-S239 WeakPolarHBondContact O-CB 3.45Å; Y217-S239 PolarHBondContact O-OG 2.87Å; A235-S239 PolarHBondContact O-N 3.01Å; A235-S239 VanDerWaalsContact O-N 3.17Å; A235-S239 PolarHBondContact O-OG 3.16Å; A235-S239 VanDerWaalsContact O-OG 3.07Å; D236-S239 PolarHBondContact O-N 3.4Å; S239-G241 VanDerWaalsContact C-N 3.34Å; S239-C242 WeakPolarHBondContact O-CB 3.24Å; S239-C242 PolarHBondContact O-N 3.17Å; S239-L243 WeakPolarHBondContact O-CB 3.43Å; S239-L243 PolarHBondContact O-N 3.47Å
240	L	98.7	Very high	97.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-67.3	-33.7	174	-172.1	63.4	0	0	0	112.1	M146 I149 C150 D236 V237 W238 L243 L244 M294 L305 I308	M146-L240 HydrophobicContact CE-CD1 3.48Å; M146-L240 VanDerWaalsContact CE-CD1 3.48Å; M146-L240 HydrophobicContact CE-CD2 4.08Å; M146-L240 HydrophobicContact CE-CG 3.51Å; M146-L240 HydrophobicContact SD-CD1 3.98Å; I149-L240 HydrophobicContact CB-CD1 4.29Å; I149-L240 HydrophobicContact CG2-CD1 3.56Å; C150-L240 WeakPolarHBondContact SG-CD2 3.49Å; D236-L240 VanDerWaalsContact O-CB 3.22Å; D236-L240 WeakPolarHBondContact O-CB 3.26Å; D236-L240 PolarHBondContact O-N 3.39Å; V237-L240 WeakPolarHBondContact O-CB 3.44Å; V237-L240 PolarHBondContact O-N 3.41Å; W238-L240 PolarHBondContact O-N 3.28Å; L240-L243 PolarHBondContact O-N 3.26Å; L240-L244 WeakPolarHBondContact O-CB 3.46Å; L240-L244 PolarHBondContact O-N 3.41Å; L240-M294 HydrophobicContact CB-CE 3.74Å; L240-M294 HydrophobicContact CD2-CE 3.82Å; L240-M294 HydrophobicContact CG-CE 3.49Å; L240-M294 VanDerWaalsContact CG-CE 3.49Å; L240-L305 HydrophobicContact CD2-CD2 4.22Å; L240-I308 HydrophobicContact CD2-CD1 4.14Å; L240-I308 HydrophobicContact CD2-CG2 4.41Å
241	G	98.6	Very high	97.2	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.4	-44.6	171.4	0	0	0	0	0	111.7	V237 W238 S239 L243 L244 Y245 M294	V237-G241 PolarHBondContact O-N 3.15Å; W238-G241 WeakPolarHBondContact O-CA 3.48Å; W238-G241 PolarHBondContact O-N 2.95Å; S239-G241 VanDerWaalsContact C-N 3.34Å; G241-L243 VanDerWaalsContact C-N 3.3Å; G241-L243 PolarHBondContact O-N 2.98Å; G241-L244 PolarHBondContact O-N 3.32Å; G241-Y245 WeakPolarHBondContact O-CB 3.18Å; G241-Y245 PolarHBondContact O-N 3.28Å; G241-M294 VanDerWaalsContact N-CE 3.26Å
242	C	98.4	Very high	97.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-61	-39.4	172	-73.7	0	0	0	0	112	Y217 W238 S239 Y245 A246	Y217-C242 HydrophobicContact CD1-CB 3.43Å; Y217-C242 VanDerWaalsContact CD1-CB 3.43Å; Y217-C242 HydrophobicContact CE1-CB 3.72Å; Y217-C242 HydrophobicContact CG-CB 4.21Å; W238-C242 PolarHBondContact O-N 2.79Å; S239-C242 WeakPolarHBondContact O-CB 3.24Å; S239-C242 PolarHBondContact O-N 3.17Å; C242-Y245 PolarHBondContact O-N 3.18Å; C242-A246 WeakPolarHBondContact O-CB 3.49Å; C242-A246 PolarHBondContact O-N 3.44Å
243	L	98.6	Very high	96.9	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-66.6	-45.4	177.2	-171.8	156.5	0	0	0	111.6	L123 M146 I149 I168 P170 V173 Y217 S239 L240 G241 Y245 A246 L247	L123-L243 HydrophobicContact CD2-CD2 4.13Å; M146-L243 HydrophobicContact SD-CD2 3.73Å; I149-L243 HydrophobicContact CD1-CD1 4.02Å; I149-L243 HydrophobicContact CD1-CD2 3.86Å; I168-L243 HydrophobicContact CG2-CD1 3.98Å; P170-L243 HydrophobicContact CG-CG 4.22Å; V173-L243 HydrophobicContact CG2-CD1 4.03Å; Y217-L243 HydrophobicContact CE1-CB 4.34Å; S239-L243 WeakPolarHBondContact O-CB 3.43Å; S239-L243 PolarHBondContact O-N 3.47Å; L240-L243 PolarHBondContact O-N 3.26Å; G241-L243 VanDerWaalsContact C-N 3.3Å; G241-L243 PolarHBondContact O-N 2.98Å; L243-Y245 VanDerWaalsContact C-N 3.29Å; L243-Y245 PolarHBondContact O-N 3.2Å; L243-A246 CarbonylContact O-C 3.43Å; L243-A246 WeakPolarHBondContact O-CB 3.37Å; L243-A246 PolarHBondContact O-N 3.17Å; L243-A246 VanDerWaalsContact O-N 3.1Å; L243-L247 HydrophobicContact CD2-CD1 3.7Å; L243-L247 HydrophobicContact CD2-CG 4Å; L243-L247 WeakPolarHBondContact O-CG 3.4Å; L243-L247 PolarHBondContact O-N 3.24Å
244	L	97.8	Very high	96.7	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-58.1	-45.2	174.6	177.5	54.3	0	0	0	111	I142 M146 L240 G241 A246 L247 I248 M291 M294 F312	I142-L244 HydrophobicContact CG2-CD1 3.66Å; M146-L244 HydrophobicContact CE-CB 3.75Å; M146-L244 HydrophobicContact CE-CD1 4.34Å; M146-L244 HydrophobicContact CE-CD2 4.37Å; M146-L244 HydrophobicContact CE-CG 4.37Å; M146-L244 HydrophobicContact CG-CD1 4.13Å; M146-L244 HydrophobicContact SD-CB 4.12Å; M146-L244 HydrophobicContact SD-CD1 4.26Å; L240-L244 WeakPolarHBondContact O-CB 3.46Å; L240-L244 PolarHBondContact O-N 3.41Å; G241-L244 PolarHBondContact O-N 3.32Å; L244-A246 VanDerWaalsContact C-N 3.31Å; L244-A246 PolarHBondContact O-N 2.77Å; L244-L247 WeakPolarHBondContact O-CB 3.39Å; L244-L247 PolarHBondContact O-N 2.82Å; L244-L247 VanDerWaalsContact O-N 3.17Å; L244-I248 HydrophobicContact CD1-CD1 3.92Å; L244-I248 HydrophobicContact CD1-CG1 4.4Å; L244-I248 HydrophobicContact CG-CD1 4.16Å; L244-I248 WeakPolarHBondContact O-CG1 3.5Å; L244-I248 PolarHBondContact O-N 2.88Å; L244-I248 VanDerWaalsContact O-N 3.17Å; L244-M291 HydrophobicContact CD2-CB 3.97Å; L244-M291 HydrophobicContact CD2-CG 4.43Å; L244-M291 HydrophobicContact CG-SD 4.3Å; L244-M294 HydrophobicContact CD2-SD 4.11Å; L244-F312 HydrophobicContact CD1-CE1 4.33Å; L244-F312 HydrophobicContact CD1-CZ 3.81Å; L244-F312 HydrophobicContact CD2-CZ 3.89Å; L244-F312 HydrophobicContact CG-CZ 4.48Å
245	Y	96.3	Very high	96.5	Very high	4 Å²	4	10 Å²	10	2%	0.016	5%	0.048	C	C	.	.	H	α-helix	trans	-58.4	-44.7	174.6	-172.2	-72.7	0	0	0	110.7	G241 C242 L243 L247 I248 F249 K251 P253 F256 I273 H274 F275 P276 M291	G241-Y245 WeakPolarHBondContact O-CB 3.18Å; G241-Y245 PolarHBondContact O-N 3.28Å; C242-Y245 PolarHBondContact O-N 3.18Å; L243-Y245 VanDerWaalsContact C-N 3.29Å; L243-Y245 PolarHBondContact O-N 3.2Å; Y245-L247 VanDerWaalsContact C-N 3.32Å; Y245-L247 PolarHBondContact O-N 3.02Å; Y245-I248 CarbonylContact O-C 3.58Å; Y245-I248 PolarHBondContact O-N 3.44Å; Y245-I248 VanDerWaalsContact O-N 3.09Å; Y245-F249 HydrophobicContact CD1-CB 4.12Å; Y245-F249 AromaticContact CD1-CD2 3.65Å; Y245-F249 HydrophobicContact CD1-CD2 3.65Å; Y245-F249 HydrophobicContact CD1-CG 4.36Å; Y245-F249 AromaticContact CD2-CD2 3.68Å; Y245-F249 HydrophobicContact CD2-CD2 3.68Å; Y245-F249 AromaticContact CD2-CE2 3.84Å; Y245-F249 HydrophobicContact CD2-CE2 3.84Å; Y245-F249 HydrophobicContact CE1-CB 3.67Å; Y245-F249 AromaticContact CE1-CD2 3.5Å; Y245-F249 HydrophobicContact CE1-CD2 3.5Å; Y245-F249 VanDerWaalsContact CE1-CD2 3.5Å; Y245-F249 HydrophobicContact CE1-CE2 4.47Å; Y245-F249 AromaticContact CE1-CG 3.94Å; Y245-F249 HydrophobicContact CE1-CG 3.94Å; Y245-F249 AromaticContact CE2-CD2 3.55Å; Y245-F249 HydrophobicContact CE2-CD2 3.55Å; Y245-F249 AromaticContact CE2-CE2 3.72Å; Y245-F249 HydrophobicContact CE2-CE2 3.72Å; Y245-F249 AromaticContact CG-CD2 3.72Å; Y245-F249 HydrophobicContact CG-CD2 3.72Å; Y245-F249 HydrophobicContact CG-CE2 4.28Å; Y245-F249 AromaticContact CZ-CD2 3.45Å; Y245-F249 VanDerWaalsContact CZ-CD2 3.45Å; Y245-F249 WeakPolarHBondContact O-CD2 3.43Å; Y245-F249 PolarHBondContact O-N 2.92Å; Y245-K251 WeakPolarHBondContact CD1-O 3.47Å; Y245-K251 WeakPolarHBondContact CE1-O 3.48Å; Y245-P253 VanDerWaalsContact CD1-CD 3.49Å; Y245-P253 HydrophobicContact CD1-CG 3.78Å; Y245-P253 HydrophobicContact CD2-CG 3.61Å; Y245-P253 HydrophobicContact CE1-CG 4.12Å; Y245-P253 HydrophobicContact CE2-CG 3.94Å; Y245-P253 HydrophobicContact CG-CG 3.53Å; Y245-F256 HydrophobicContact CE1-CE2 4.03Å; Y245-I273 HydrophobicContact CD2-CG2 4.32Å; Y245-I273 HydrophobicContact CE2-CG2 4.09Å; Y245-H274 PolarHBondContact OH-O 2.78Å; Y245-F275 AromaticContact CD2-CD1 3.93Å; Y245-F275 HydrophobicContact CD2-CD1 3.93Å; Y245-F275 AromaticContact CD2-CE1 3.66Å; Y245-F275 HydrophobicContact CD2-CE1 3.66Å; Y245-F275 AromaticContact CE2-CD1 3.59Å; Y245-F275 HydrophobicContact CE2-CD1 3.59Å; Y245-F275 AromaticContact CE2-CE1 3.76Å; Y245-F275 HydrophobicContact CE2-CE1 3.76Å; Y245-F275 HydrophobicContact CE2-CG 4.48Å; Y245-P276 WeakPolarHBondContact OH-CD 3.41Å; Y245-M291 WeakPolarHBondContact CA-SD 3.4Å; Y245-M291 WeakPolarHBondContact CB-SD 3.42Å; Y245-M291 HydrophobicContact CD2-CE 4.49Å; Y245-M291 HydrophobicContact CD2-SD 3.64Å; Y245-M291 HydrophobicContact CG-SD 3.95Å
246	A	96.7	Very high	96	Very high	1 Å²	1	12 Å²	12	1%	0.008	6%	0.056	C	C	.	.	H	α-helix	trans	-66.1	-29.5	177.3	0	0	0	0	0	113.6	I127 P170 C242 L243 L244 I248 F250	I127-A246 HydrophobicContact CD1-CB 4.19Å; P170-A246 HydrophobicContact CG-CB 4.32Å; C242-A246 WeakPolarHBondContact O-CB 3.49Å; C242-A246 PolarHBondContact O-N 3.44Å; L243-A246 CarbonylContact O-C 3.43Å; L243-A246 WeakPolarHBondContact O-CB 3.37Å; L243-A246 PolarHBondContact O-N 3.17Å; L243-A246 VanDerWaalsContact O-N 3.1Å; L244-A246 VanDerWaalsContact C-N 3.31Å; L244-A246 PolarHBondContact O-N 2.77Å; A246-I248 VanDerWaalsContact C-N 3.28Å; A246-I248 PolarHBondContact O-N 2.73Å; A246-F250 CarbonylContact O-C 3.49Å; A246-F250 WeakPolarHBondContact O-CA 3.2Å; A246-F250 PolarHBondContact O-N 3.5Å
247	L	95.5	Very high	95.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.6	-30	171.8	-72.2	177	0	0	0	112.5	L123 I127 F137 I142 M145 M146 L243 L244 Y245	L123-L247 HydrophobicContact CD1-CD2 3.8Å; L123-L247 HydrophobicContact CD2-CD2 3.88Å; L123-L247 HydrophobicContact CG-CD2 4.2Å; I127-L247 HydrophobicContact CD1-CD2 4.33Å; I127-L247 HydrophobicContact CG1-CD2 4.45Å; F137-L247 HydrophobicContact CD2-CD2 4.33Å; F137-L247 WeakPolarHBondContact CD2-O 3.24Å; F137-L247 HydrophobicContact CE1-CD2 4.43Å; F137-L247 HydrophobicContact CE2-CD2 4.08Å; F137-L247 HydrophobicContact CZ-CD2 4.1Å; I142-L247 HydrophobicContact CG1-CB 4.42Å; I142-L247 HydrophobicContact CG2-CB 4.45Å; I142-L247 HydrophobicContact CG2-CD1 4.09Å; M145-L247 HydrophobicContact CE-CD1 4.11Å; M145-L247 HydrophobicContact CE-CD2 3.55Å; M145-L247 HydrophobicContact CE-CG 4.46Å; M145-L247 HydrophobicContact SD-CD2 4.37Å; M146-L247 HydrophobicContact CG-CD1 4.07Å; M146-L247 HydrophobicContact SD-CD1 3.82Å; L243-L247 HydrophobicContact CD2-CD1 3.7Å; L243-L247 HydrophobicContact CD2-CG 4Å; L243-L247 WeakPolarHBondContact O-CG 3.4Å; L243-L247 PolarHBondContact O-N 3.24Å; L244-L247 WeakPolarHBondContact O-CB 3.39Å; L244-L247 PolarHBondContact O-N 2.82Å; L244-L247 VanDerWaalsContact O-N 3.17Å; Y245-L247 VanDerWaalsContact C-N 3.32Å; Y245-L247 PolarHBondContact O-N 3.02Å
248	I	93.2	Very high	95.4	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.01	8%	0.082	C	C	.	.	H	α-helix	trans	-93.6	-32.7	-177.6	-61.9	170.4	0	0	0	112	M136 I142 L244 Y245 A246 V283 M291	M136-I248 WeakPolarHBondContact CE-O 3.22Å; I142-I248 HydrophobicContact CD1-CG1 4.01Å; L244-I248 HydrophobicContact CD1-CD1 3.92Å; L244-I248 HydrophobicContact CD1-CG1 4.4Å; L244-I248 HydrophobicContact CG-CD1 4.16Å; L244-I248 WeakPolarHBondContact O-CG1 3.5Å; L244-I248 PolarHBondContact O-N 2.88Å; L244-I248 VanDerWaalsContact O-N 3.17Å; Y245-I248 CarbonylContact O-C 3.58Å; Y245-I248 PolarHBondContact O-N 3.44Å; Y245-I248 VanDerWaalsContact O-N 3.09Å; A246-I248 VanDerWaalsContact C-N 3.28Å; A246-I248 PolarHBondContact O-N 2.73Å; I248-V283 HydrophobicContact CD1-CG1 4.21Å; I248-V283 HydrophobicContact CG2-CG1 4.44Å; I248-V283 HydrophobicContact CG2-CG2 3.57Å; I248-M291 HydrophobicContact CD1-CE 4.1Å; I248-M291 HydrophobicContact CD1-SD 4.46Å
249	F	92.4	Very high	95.1	Very high	13 Å²	13	21.3 Å²	21.3	6%	0.057	12%	0.115	C	C	.	.	H	α-helix	trans	-125.6	12.1	-172.5	-53.6	-68.9	0	0	0	113.5	Y245 K251 F275 P276 M291	Y245-F249 HydrophobicContact CD1-CB 4.12Å; Y245-F249 AromaticContact CD1-CD2 3.65Å; Y245-F249 HydrophobicContact CD1-CD2 3.65Å; Y245-F249 HydrophobicContact CD1-CG 4.36Å; Y245-F249 AromaticContact CD2-CD2 3.68Å; Y245-F249 HydrophobicContact CD2-CD2 3.68Å; Y245-F249 AromaticContact CD2-CE2 3.84Å; Y245-F249 HydrophobicContact CD2-CE2 3.84Å; Y245-F249 HydrophobicContact CE1-CB 3.67Å; Y245-F249 AromaticContact CE1-CD2 3.5Å; Y245-F249 HydrophobicContact CE1-CD2 3.5Å; Y245-F249 VanDerWaalsContact CE1-CD2 3.5Å; Y245-F249 HydrophobicContact CE1-CE2 4.47Å; Y245-F249 AromaticContact CE1-CG 3.94Å; Y245-F249 HydrophobicContact CE1-CG 3.94Å; Y245-F249 AromaticContact CE2-CD2 3.55Å; Y245-F249 HydrophobicContact CE2-CD2 3.55Å; Y245-F249 AromaticContact CE2-CE2 3.72Å; Y245-F249 HydrophobicContact CE2-CE2 3.72Å; Y245-F249 AromaticContact CG-CD2 3.72Å; Y245-F249 HydrophobicContact CG-CD2 3.72Å; Y245-F249 HydrophobicContact CG-CE2 4.28Å; Y245-F249 AromaticContact CZ-CD2 3.45Å; Y245-F249 VanDerWaalsContact CZ-CD2 3.45Å; Y245-F249 WeakPolarHBondContact O-CD2 3.43Å; Y245-F249 PolarHBondContact O-N 2.92Å; F249-K251 PolarHBondContact O-N 3.45Å; F249-F275 HydrophobicContact CE2-CD1 4Å; F249-F275 HydrophobicContact CZ-CD1 4.38Å; F249-P276 HydrophobicContact CD1-CG 3.99Å; F249-P276 HydrophobicContact CE1-CG 4.28Å; F249-P276 HydrophobicContact CG-CG 4.41Å; F249-M291 HydrophobicContact CE2-CE 4.06Å
250	F	93.6	Very high	94.8	Very high	18 Å²	18	28.9 Å²	28.9	8%	0.079	14%	0.143	C	C	.	.	S	Bend	trans	63.4	-3.5	178.8	-56.7	-57.2	0	0	0	117.4	I127 R130 M136 F137 A246	I127-F250 HydrophobicContact CG2-CB 4.16Å; I127-F250 HydrophobicContact CG2-CD1 4.23Å; I127-F250 WeakPolarHBondContact CG2-O 3.48Å; R130-F250 HydrophobicContact CB-CD1 4.48Å; R130-F250 HydrophobicContact CB-CE1 3.69Å; R130-F250 HydrophobicContact CB-CZ 4.29Å; M136-F250 HydrophobicContact CE-CE2 4.32Å; M136-F250 HydrophobicContact CE-CZ 4.35Å; M136-F250 HydrophobicContact SD-CD2 4.47Å; M136-F250 HydrophobicContact SD-CE2 3.41Å; M136-F250 WeakPolarHBondContact SD-CE2 3.37Å; M136-F250 HydrophobicContact SD-CZ 3.49Å; M136-F250 WeakPolarHBondContact SD-CZ 3.32Å; F137-F250 HydrophobicContact CD2-CE1 4.35Å; F137-F250 HydrophobicContact CE2-CE1 4.44Å; A246-F250 CarbonylContact O-C 3.49Å; A246-F250 WeakPolarHBondContact O-CA 3.2Å; A246-F250 PolarHBondContact O-N 3.5Å
251	K	93.6	Very high	94.4	Very high	105 Å²	105	32.2 Å²	32.2	46%	0.457	18%	0.177	S	C	.	.	S	Bend	trans	-146.6	150.6	177.7	-69.6	-173	177.3	-176	0	109.5	Y245 F249 D255 F256	Y245-K251 WeakPolarHBondContact CD1-O 3.47Å; Y245-K251 WeakPolarHBondContact CE1-O 3.48Å; F249-K251 PolarHBondContact O-N 3.45Å; K251-D255 HydrophobicContact CB-CB 4.25Å; K251-F256 HydrophobicContact CB-CD2 4.38Å; K251-F256 HydrophobicContact CB-CE2 3.63Å; K251-F256 HydrophobicContact CB-CZ 3.75Å; K251-F256 HydrophobicContact CD-CE1 4Å; K251-F256 HydrophobicContact CD-CE2 4.47Å; K251-F256 HydrophobicContact CD-CZ 3.93Å; K251-F256 HydrophobicContact CG-CZ 4.3Å
252	S	95.3	Very high	94.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.			trans	-68.3	159.8	172.1	73.1	0	0	0	0	110.9	T216 M254 D255 F256	T216-S252 PolarHBondContact O-OG 3.43Å; S252-M254 PolarHBondContact O-N 3.41Å; S252-D255 VanDerWaalsContact CB-OD2 3.31Å; S252-D255 WeakPolarHBondContact CB-OD2 3.12Å; S252-D255 PolarHBondContact N-OD2 3.34Å; S252-D255 PolarHBondContact O-N 3.46Å; S252-D255 PolarHBondContact OG-N 3.26Å; S252-D255 VanDerWaalsContact OG-N 3.1Å; S252-D255 PolarHBondContact OG-OD1 2.9Å; S252-D255 PolarHBondContact OG-OD2 2.83Å; S252-F256 VanDerWaalsContact O-CD2 3.27Å; S252-F256 WeakPolarHBondContact O-CD2 3.47Å
253	P	94.1	Very high	93.9	Very high	9 Å²	9	38.8 Å²	38.8	6%	0.058	22%	0.217	C	C	.	.	H	α-helix	trans	-56.7	-38.9	175	-22.9	33	0	0	0	112.2	Y245 F256 V257 I273 L295	Y245-P253 VanDerWaalsContact CD1-CD 3.49Å; Y245-P253 HydrophobicContact CD1-CG 3.78Å; Y245-P253 HydrophobicContact CD2-CG 3.61Å; Y245-P253 HydrophobicContact CE1-CG 4.12Å; Y245-P253 HydrophobicContact CE2-CG 3.94Å; Y245-P253 HydrophobicContact CG-CG 3.53Å; P253-F256 PolarHBondContact O-N 2.99Å; P253-V257 PolarHBondContact O-N 3.41Å; P253-I273 HydrophobicContact CB-CD1 4.15Å; P253-I273 HydrophobicContact CB-CG2 4.02Å; P253-I273 HydrophobicContact CG-CD1 4.48Å; P253-I273 HydrophobicContact CG-CG2 3.94Å; P253-L295 HydrophobicContact CG-CD1 4.18Å
254	M	95.3	Very high	93.8	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-77.6	-20.6	-175.7	-57.9	-58.9	144.4	0	0	112.8	T216 W238 S252 F256 V257 H258 V264 A267 A268 I273	T216-M254 HydrophobicContact CG2-CB 4.1Å; T216-M254 WeakPolarHBondContact O-CB 3.39Å; W238-M254 HydrophobicContact CH2-CE 4.5Å; W238-M254 HydrophobicContact CZ2-CE 4Å; S252-M254 PolarHBondContact O-N 3.41Å; M254-F256 VanDerWaalsContact C-N 3.27Å; M254-F256 PolarHBondContact O-N 2.79Å; M254-V257 PolarHBondContact O-N 2.76Å; M254-V257 HydrophobicContact SD-CG2 4.37Å; M254-H258 VanDerWaalsContact O-CB 3.3Å; M254-H258 WeakPolarHBondContact O-CB 3.46Å; M254-H258 PolarHBondContact O-N 2.79Å; M254-V264 HydrophobicContact CB-CG1 3.93Å; M254-V264 HydrophobicContact CG-CG1 4.17Å; M254-V264 HydrophobicContact SD-CG1 4.24Å; M254-A267 HydrophobicContact CE-CB 4.44Å; M254-A267 HydrophobicContact SD-CB 3.85Å; M254-A268 HydrophobicContact CE-CB 4.35Å; M254-A268 HydrophobicContact SD-CB 4.23Å; M254-I273 HydrophobicContact CE-CD1 3.54Å
255	D	93.8	Very high	93.6	Very high	48 Å²	48	40.7 Å²	40.7	26%	0.257	23%	0.232	S	C	.	.	H	α-helix	trans	-63.8	-36	171.1	-66.8	-43	0	0	0	110.8	T216 K251 S252 A259	T216-D255 WeakPolarHBondContact CB-OD1 3.45Å; T216-D255 VanDerWaalsContact CG2-OD1 3.26Å; T216-D255 WeakPolarHBondContact CG2-OD1 3.34Å; T216-D255 PolarHBondContact OG1-OD1 3.12Å; K251-D255 HydrophobicContact CB-CB 4.25Å; S252-D255 VanDerWaalsContact CB-OD2 3.31Å; S252-D255 WeakPolarHBondContact CB-OD2 3.12Å; S252-D255 PolarHBondContact N-OD2 3.34Å; S252-D255 PolarHBondContact O-N 3.46Å; S252-D255 PolarHBondContact OG-N 3.26Å; S252-D255 VanDerWaalsContact OG-N 3.1Å; S252-D255 PolarHBondContact OG-OD1 2.9Å; S252-D255 PolarHBondContact OG-OD2 2.83Å; D255-A259 VanDerWaalsContact O-CB 3.25Å; D255-A259 WeakPolarHBondContact O-CB 3.32Å; D255-A259 PolarHBondContact O-N 3.29Å
256	F	89.9	Confident	93.5	Very high	40 Å²	40	46.7 Å²	46.7	18%	0.175	26%	0.263	C	S	.	.	H	α-helix	trans	-67.4	-44	174.6	-65.3	-76.8	0	0	0	111.9	Y245 K251 S252 P253 M254 A259 R260 Y330	Y245-F256 HydrophobicContact CE1-CE2 4.03Å; K251-F256 HydrophobicContact CB-CD2 4.38Å; K251-F256 HydrophobicContact CB-CE2 3.63Å; K251-F256 HydrophobicContact CB-CZ 3.75Å; K251-F256 HydrophobicContact CD-CE1 4Å; K251-F256 HydrophobicContact CD-CE2 4.47Å; K251-F256 HydrophobicContact CD-CZ 3.93Å; K251-F256 HydrophobicContact CG-CZ 4.3Å; S252-F256 VanDerWaalsContact O-CD2 3.27Å; S252-F256 WeakPolarHBondContact O-CD2 3.47Å; P253-F256 PolarHBondContact O-N 2.99Å; M254-F256 VanDerWaalsContact C-N 3.27Å; M254-F256 PolarHBondContact O-N 2.79Å; F256-A259 PolarHBondContact O-N 2.87Å; F256-R260 WeakPolarHBondContact O-CG 3.46Å; F256-R260 PolarHBondContact O-N 3.08Å; F256-Y330 HydrophobicContact CD1-CE1 4.2Å; F256-Y330 HydrophobicContact CE1-CD1 4.47Å; F256-Y330 AromaticContact CE1-CE1 3.63Å; F256-Y330 HydrophobicContact CE1-CE1 3.63Å; F256-Y330 HydrophobicContact CE1-CE2 4.18Å; F256-Y330 AromaticContact CE1-CZ 3.48Å; F256-Y330 VanDerWaalsContact CE1-CZ 3.48Å; F256-Y330 WeakPolarHBondContact CE1-OH 3.29Å; F256-Y330 HydrophobicContact CZ-CE1 4.26Å; F256-Y330 AromaticContact CZ-CZ 3.96Å; F256-Y330 WeakPolarHBondContact CZ-OH 3.32Å
257	V	91.8	Very high	93.4	Very high	17 Å²	17	47.6 Å²	47.6	10%	0.103	27%	0.271	C	S	.	.	H	α-helix	trans	-59.3	-49.8	175.8	177.3	0	0	0	0	110.2	P253 M254 A259 R260 G261 D262 V264 A267	P253-V257 PolarHBondContact O-N 3.41Å; M254-V257 PolarHBondContact O-N 2.76Å; M254-V257 HydrophobicContact SD-CG2 4.37Å; V257-A259 PolarHBondContact O-N 2.9Å; V257-R260 PolarHBondContact O-N 2.9Å; V257-G261 PolarHBondContact O-N 2.79Å; V257-D262 HydrophobicContact CG1-CB 3.56Å; V257-D262 PolarHBondContact O-N 3Å; V257-D262 VanDerWaalsContact O-N 3.15Å; V257-V264 HydrophobicContact CG1-CG2 4.32Å; V257-A267 HydrophobicContact CB-CB 4.25Å; V257-A267 HydrophobicContact CG1-CB 3.62Å; V257-A267 HydrophobicContact CG2-CB 3.75Å
258	H	92.8	Very high	93.4	Very high	103 Å²	103	47.6 Å²	47.6	48%	0.477	27%	0.271	S	S	.	.	H	α-helix	trans	-60.4	-44.8	179.2	-168.6	116.5	0	0	0	111.7	L215 T216 M254 R260 G261 V264	L215-H258 WeakPolarHBondContact CD2-ND1 3.47Å; T216-H258 HydrophobicContact CG2-CB 4.13Å; M254-H258 VanDerWaalsContact O-CB 3.3Å; M254-H258 WeakPolarHBondContact O-CB 3.46Å; M254-H258 PolarHBondContact O-N 2.79Å; H258-R260 PolarHBondContact O-N 3.38Å; H258-G261 PolarHBondContact O-N 2.84Å; H258-V264 HydrophobicContact CB-CG2 3.74Å
259	A	92.6	Very high	93.5	Very high	83 Å²	83	50 Å²	50	69%	0.686	29%	0.288	S	S	*	.	H	α-helix	trans	-63.8	-27.5	-178.9	0	0	0	0	0	113.4	D255 F256 V257 G261	D255-A259 VanDerWaalsContact O-CB 3.25Å; D255-A259 WeakPolarHBondContact O-CB 3.32Å; D255-A259 PolarHBondContact O-N 3.29Å; F256-A259 PolarHBondContact O-N 2.87Å; V257-A259 PolarHBondContact O-N 2.9Å; A259-G261 VanDerWaalsContact C-N 3.29Å
260	R	90.9	Very high	93.5	Very high	162 Å²	162	52.9 Å²	52.9	61%	0.611	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-7.8	173.1	-65.9	-170.3	-49.6	-151.3	0.6	113.7	F256 V257 H258 D262	F256-R260 WeakPolarHBondContact O-CG 3.46Å; F256-R260 PolarHBondContact O-N 3.08Å; V257-R260 PolarHBondContact O-N 2.9Å; H258-R260 PolarHBondContact O-N 3.38Å; R260-D262 VanDerWaalsContact C-N 3.3Å; R260-D262 IonicContact CZ-OD2 2.78Å; R260-D262 IonicContact NE-OD2 3.43Å; R260-D262 PolarHBondContact NE-OD2 2.89Å; R260-D262 IonicContact NH2-OD2 3.59Å; R260-D262 PolarHBondContact NH2-OD2 3.2Å
261	G	91.2	Very high	93.3	Very high	69 Å²	69	53.3 Å²	53.3	71%	0.711	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	12.3	-174.3	0	0	0	0	0	113.9	V257 H258 A259	V257-G261 PolarHBondContact O-N 2.79Å; H258-G261 PolarHBondContact O-N 2.84Å; A259-G261 VanDerWaalsContact C-N 3.29Å
262	D	92.4	Very high	93.1	Very high	78 Å²	78	55.1 Å²	55.1	42%	0.417	33%	0.331	S	S	.	.			trans	-76.4	159.7	176.6	-66.1	-31.2	0	0	0	111	V257 R260 V264	V257-D262 HydrophobicContact CG1-CB 3.56Å; V257-D262 PolarHBondContact O-N 3Å; V257-D262 VanDerWaalsContact O-N 3.15Å; R260-D262 VanDerWaalsContact C-N 3.3Å; R260-D262 IonicContact CZ-OD2 2.78Å; R260-D262 IonicContact NE-OD2 3.43Å; R260-D262 PolarHBondContact NE-OD2 2.89Å; R260-D262 IonicContact NH2-OD2 3.59Å; R260-D262 PolarHBondContact NH2-OD2 3.2Å; D262-V264 PolarHBondContact O-N 3.13Å; D262-V264 VanDerWaalsContact O-N 3.12Å
263	S	95	Very high	92.9	Very high	60 Å²	60	56.2 Å²	56.2	42%	0.42	34%	0.336	S	S	.	.			trans	-71.3	108.1	175.7	177.2	0	0	0	0	111.5	A265 L266 A267	S263-A265 PolarHBondContact O-N 3.17Å; S263-L266 PolarHBondContact O-N 2.92Å; S263-L266 PolarHBondContact OG-N 3.2Å; S263-A267 PolarHBondContact O-N 3.35Å
264	V	95.1	Very high	92.5	Very high	9 Å²	9	62.2 Å²	62.2	6%	0.055	36%	0.363	C	S	.	.	H	α-helix	trans	-56.3	-39.5	172.6	175.5	0	0	0	0	111.6	L215 F223 M254 V257 H258 D262 L266 A267 A268	L215-V264 HydrophobicContact CD1-CB 4.32Å; L215-V264 HydrophobicContact CD1-CG1 4.24Å; L215-V264 HydrophobicContact CD2-CG2 4.43Å; L215-V264 HydrophobicContact CG-CB 4.32Å; L215-V264 HydrophobicContact CG-CG1 4.17Å; L215-V264 HydrophobicContact CG-CG2 4.41Å; L215-V264 WeakPolarHBondContact O-CG1 3.43Å; F223-V264 HydrophobicContact CZ-CG1 3.97Å; M254-V264 HydrophobicContact CB-CG1 3.93Å; M254-V264 HydrophobicContact CG-CG1 4.17Å; M254-V264 HydrophobicContact SD-CG1 4.24Å; V257-V264 HydrophobicContact CG1-CG2 4.32Å; H258-V264 HydrophobicContact CB-CG2 3.74Å; D262-V264 PolarHBondContact O-N 3.13Å; D262-V264 VanDerWaalsContact O-N 3.12Å; V264-L266 PolarHBondContact O-N 3.2Å; V264-A267 PolarHBondContact O-N 3.44Å; V264-A268 WeakPolarHBondContact O-CB 3.41Å; V264-A268 PolarHBondContact O-N 3.31Å
265	A	94.5	Very high	92.1	Very high	31 Å²	31	63.5 Å²	63.5	26%	0.256	37%	0.369	S	S	.	.	H	α-helix	trans	-62.2	-45.1	178.7	0	0	0	0	0	111.8	F223 S263 C269	F223-A265 HydrophobicContact CB-CB 4.21Å; F223-A265 HydrophobicContact CD1-CB 3.54Å; F223-A265 HydrophobicContact CE1-CB 3.93Å; F223-A265 HydrophobicContact CG-CB 3.86Å; S263-A265 PolarHBondContact O-N 3.17Å; A265-C269 WeakPolarHBondContact O-CB 3.41Å; A265-C269 PolarHBondContact O-N 3.01Å; A265-C269 PolarHBondContact O-SG 2.9Å
266	L	94.5	Very high	91.4	Very high	130 Å²	130	62 Å²	62	68%	0.681	36%	0.362	S	S	*	.	H	α-helix	trans	-66.1	-41.9	177.3	-69.1	177.8	0	0	0	111.5	S263 V264 C269 S270	S263-L266 PolarHBondContact O-N 2.92Å; S263-L266 PolarHBondContact OG-N 3.2Å; V264-L266 PolarHBondContact O-N 3.2Å; L266-C269 PolarHBondContact O-N 3.34Å; L266-S270 WeakPolarHBondContact O-CB 3.3Å; L266-S270 PolarHBondContact O-N 3.5Å; L266-S270 PolarHBondContact O-OG 3.38Å
267	A	94.7	Very high	90.3	Very high	21 Å²	21	66.5 Å²	66.5	17%	0.174	39%	0.386	C	S	.	.	H	α-helix	trans	-62.6	-47	177.9	0	0	0	0	0	111.8	M254 V257 S263 V264 S270 A271	M254-A267 HydrophobicContact CE-CB 4.44Å; M254-A267 HydrophobicContact SD-CB 3.85Å; V257-A267 HydrophobicContact CB-CB 4.25Å; V257-A267 HydrophobicContact CG1-CB 3.62Å; V257-A267 HydrophobicContact CG2-CB 3.75Å; S263-A267 PolarHBondContact O-N 3.35Å; V264-A267 PolarHBondContact O-N 3.44Å; A267-S270 PolarHBondContact O-N 3.18Å; A267-S270 PolarHBondContact O-OG 2.99Å; A267-A271 PolarHBondContact O-N 2.97Å; A267-A271 VanDerWaalsContact O-N 3.14Å
268	A	95.2	Very high	89.1	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-59.2	-50.5	175.6	0	0	0	0	0	111.4	P220 F223 W238 M254 V264 S270 A271	P220-A268 HydrophobicContact CG-CB 4.3Å; P220-A268 WeakPolarHBondContact CG-O 3.4Å; F223-A268 HydrophobicContact CD2-CB 4.14Å; F223-A268 HydrophobicContact CE2-CB 3.89Å; W238-A268 HydrophobicContact CH2-CB 4.33Å; W238-A268 VanDerWaalsContact CH2-O 3.29Å; W238-A268 WeakPolarHBondContact CH2-O 3.3Å; W238-A268 HydrophobicContact CZ2-CB 3.81Å; M254-A268 HydrophobicContact CE-CB 4.35Å; M254-A268 HydrophobicContact SD-CB 4.23Å; V264-A268 WeakPolarHBondContact O-CB 3.41Å; V264-A268 PolarHBondContact O-N 3.31Å; A268-S270 VanDerWaalsContact C-N 3.27Å; A268-S270 PolarHBondContact O-N 3.14Å; A268-A271 PolarHBondContact O-N 3.16Å
269	C	94.4	Very high	87.7	Confident	53 Å²	53	67.7 Å²	67.7	36%	0.358	40%	0.397	S	S	.	.	H	α-helix	trans	-63.6	-29.6	179.2	-69.8	0	0	0	0	113.8	A265 L266 A271	A265-C269 WeakPolarHBondContact O-CB 3.41Å; A265-C269 PolarHBondContact O-N 3.01Å; A265-C269 PolarHBondContact O-SG 2.9Å; L266-C269 PolarHBondContact O-N 3.34Å; C269-A271 VanDerWaalsContact C-N 3.34Å
270	S	93.5	Very high	86.3	Confident	73 Å²	73	64.7 Å²	64.7	51%	0.51	37%	0.371	S	S	.	.	H	α-helix	trans	-75.3	-23.4	175	75.7	0	0	0	0	113.5	L266 A267 A268 N272	L266-S270 WeakPolarHBondContact O-CB 3.3Å; L266-S270 PolarHBondContact O-N 3.5Å; L266-S270 PolarHBondContact O-OG 3.38Å; A267-S270 PolarHBondContact O-N 3.18Å; A267-S270 PolarHBondContact O-OG 2.99Å; A268-S270 VanDerWaalsContact C-N 3.27Å; A268-S270 PolarHBondContact O-N 3.14Å; S270-N272 PolarHBondContact O-N 3.28Å; S270-N272 PolarHBondContact OG-N 3.46Å
271	A	89.8	Confident	84.9	Confident	27 Å²	27	61.4 Å²	61.4	22%	0.223	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	24.4	-170.8	0	0	0	0	0	114.7	W238 A267 A268 C269 I273 L295 A297	W238-A271 HydrophobicContact CH2-CB 4.42Å; W238-A271 HydrophobicContact CZ3-CB 4.37Å; A267-A271 PolarHBondContact O-N 2.97Å; A267-A271 VanDerWaalsContact O-N 3.14Å; A268-A271 PolarHBondContact O-N 3.16Å; C269-A271 VanDerWaalsContact C-N 3.34Å; A271-I273 VanDerWaalsContact C-N 3.29Å; A271-I273 PolarHBondContact O-N 3.24Å; A271-L295 WeakPolarHBondContact CB-O 3.32Å; A271-A297 HydrophobicContact CB-CB 3.72Å
272	N	89.1	Confident	84.1	Confident	143 Å²	143	60.4 Å²	60.4	77%	0.765	35%	0.351	S	S	*	.			trans	-82.7	77	176.1	-171	18.8	0	0	0	109.7	S270	S270-N272 PolarHBondContact O-N 3.28Å; S270-N272 PolarHBondContact OG-N 3.46Å
273	I	89.8	Confident	83.7	Confident	23 Å²	23	57 Å²	57	12%	0.118	33%	0.333	C	S	.	.			trans	-79.3	123.4	-175.6	-52.8	-56.4	0	0	0	110	Y245 P253 M254 A271 F275 L295	Y245-I273 HydrophobicContact CD2-CG2 4.32Å; Y245-I273 HydrophobicContact CE2-CG2 4.09Å; P253-I273 HydrophobicContact CB-CD1 4.15Å; P253-I273 HydrophobicContact CB-CG2 4.02Å; P253-I273 HydrophobicContact CG-CD1 4.48Å; P253-I273 HydrophobicContact CG-CG2 3.94Å; M254-I273 HydrophobicContact CE-CD1 3.54Å; A271-I273 VanDerWaalsContact C-N 3.29Å; A271-I273 PolarHBondContact O-N 3.24Å; I273-F275 HydrophobicContact CB-CE2 4.04Å; I273-F275 HydrophobicContact CB-CZ 4.13Å; I273-F275 HydrophobicContact CG2-CD2 4.44Å; I273-F275 HydrophobicContact CG2-CE1 3.99Å; I273-F275 HydrophobicContact CG2-CE2 3.89Å; I273-F275 HydrophobicContact CG2-CZ 3.64Å; I273-L295 HydrophobicContact CD1-CD1 4.39Å; I273-L295 HydrophobicContact CG1-CB 4Å; I273-L295 HydrophobicContact CG1-CD1 3.98Å; I273-L295 HydrophobicContact CG2-CD1 4.1Å
274	H	87.2	Confident	83.3	Confident	134 Å²	134	54.4 Å²	54.4	62%	0.62	32%	0.315	S	S	*	.			trans	-85.7	127.6	172.6	-177.2	69.2	0	0	0	110.3	Y245	Y245-H274 PolarHBondContact OH-O 2.78Å
275	F	85.3	Confident	82.9	Confident	29 Å²	29	58.4 Å²	58.4	13%	0.127	34%	0.341	C	S	.	.			trans	-106.9	126.8	172.6	-62.2	-81.9	0	0	0	109.6	Y245 F249 I273 I277 M291 E292	Y245-F275 AromaticContact CD2-CD1 3.93Å; Y245-F275 HydrophobicContact CD2-CD1 3.93Å; Y245-F275 AromaticContact CD2-CE1 3.66Å; Y245-F275 HydrophobicContact CD2-CE1 3.66Å; Y245-F275 AromaticContact CE2-CD1 3.59Å; Y245-F275 HydrophobicContact CE2-CD1 3.59Å; Y245-F275 AromaticContact CE2-CE1 3.76Å; Y245-F275 HydrophobicContact CE2-CE1 3.76Å; Y245-F275 HydrophobicContact CE2-CG 4.48Å; F249-F275 HydrophobicContact CE2-CD1 4Å; F249-F275 HydrophobicContact CZ-CD1 4.38Å; I273-F275 HydrophobicContact CB-CE2 4.04Å; I273-F275 HydrophobicContact CB-CZ 4.13Å; I273-F275 HydrophobicContact CG2-CD2 4.44Å; I273-F275 HydrophobicContact CG2-CE1 3.99Å; I273-F275 HydrophobicContact CG2-CE2 3.89Å; I273-F275 HydrophobicContact CG2-CZ 3.64Å; F275-I277 PolarHBondContact O-N 3.34Å; F275-M291 HydrophobicContact CD1-CE 3.88Å; F275-M291 HydrophobicContact CE1-CE 3.38Å; F275-M291 HydrophobicContact CE1-CG 4.07Å; F275-M291 HydrophobicContact CE1-SD 3.82Å; F275-M291 HydrophobicContact CZ-CE 4.36Å; F275-M291 HydrophobicContact CZ-CG 4.43Å; F275-E292 HydrophobicContact CE2-CG 3.72Å; F275-E292 HydrophobicContact CZ-CG 3.79Å
276	P	78.9	Confident	82.7	Confident	18 Å²	18	62.8 Å²	62.8	12%	0.117	36%	0.356	C	S	.	.			trans	-63.6	104.6	179.8	-20.2	31.1	0	0	0	111.1	Y245 F249 D278 S279 C280	Y245-P276 WeakPolarHBondContact OH-CD 3.41Å; F249-P276 HydrophobicContact CD1-CG 3.99Å; F249-P276 HydrophobicContact CE1-CG 4.28Å; F249-P276 HydrophobicContact CG-CG 4.41Å; P276-D278 VanDerWaalsContact C-N 3.3Å; P276-D278 PolarHBondContact O-N 2.91Å; P276-S279 PolarHBondContact O-N 3.46Å; P276-C280 PolarHBondContact O-N 2.87Å; P276-C280 PolarHBondContact O-SG 3.42Å
277	I	67.5	Low	82.5	Confident	134 Å²	134	56.8 Å²	56.8	69%	0.687	32%	0.324	S	S	*	.	H	α-helix	trans	-52.5	-47.3	-170.6	-63.2	167.7	0	0	0	111.7	F275 S279 C280	F275-I277 PolarHBondContact O-N 3.34Å; I277-S279 PolarHBondContact O-N 3.32Å; I277-C280 PolarHBondContact O-N 2.88Å
278	D	66.3	Low	82.3	Confident	128 Å²	128	57.2 Å²	57.2	68%	0.684	32%	0.324	S	S	*	.	H	α-helix	trans	-63.4	-35.2	-176.9	-60.2	-34	0	0	0	111.1	P276 S281 Q325	P276-D278 VanDerWaalsContact C-N 3.3Å; P276-D278 PolarHBondContact O-N 2.91Å; D278-S281 PolarHBondContact O-OG 3.47Å; D278-Q325 PolarHBondContact O-NE2 2.8Å
279	S	64.7	Low	82.2	Confident	16 Å²	16	64.5 Å²	64.5	11%	0.112	36%	0.355	C	S	.	.	H	α-helix	trans	-83.5	-19.9	-177.1	-53.1	0	0	0	0	112.2	P276 I277 S281 Q325	P276-S279 PolarHBondContact O-N 3.46Å; I277-S279 PolarHBondContact O-N 3.32Å; S279-S281 VanDerWaalsContact C-N 3.33Å; S279-S281 PolarHBondContact O-N 2.96Å; S279-Q325 VanDerWaalsContact CA-NE2 3.34Å; S279-Q325 PolarHBondContact OG-NE2 3.45Å; S279-Q325 PolarHBondContact OG-OE1 3.23Å
280	C	61.6	Low	82.3	Confident	20 Å²	20	62.7 Å²	62.7	14%	0.135	34%	0.342	C	S	.	.	H	α-helix	trans	-73.2	-19.1	178.3	-72.9	0	0	0	0	113.8	P276 I277 N282 V283 I288	P276-C280 PolarHBondContact O-N 2.87Å; P276-C280 PolarHBondContact O-SG 3.42Å; I277-C280 PolarHBondContact O-N 2.88Å; C280-N282 PolarHBondContact O-N 3.44Å; C280-V283 PolarHBondContact O-N 3Å; C280-I288 HydrophobicContact CB-CD1 4.1Å
281	S	62.2	Low	82.4	Confident	94 Å²	94	59.2 Å²	59.2	66%	0.657	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.6	-174.8	68.8	0	0	0	0	113.9	D278 S279	D278-S281 PolarHBondContact O-OG 3.47Å; S279-S281 VanDerWaalsContact C-N 3.33Å; S279-S281 PolarHBondContact O-N 2.96Å
282	N	74.9	Confident	82.7	Confident	47 Å²	47	62.6 Å²	62.6	25%	0.251	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-3.7	179.6	-61.8	-27.1	0	0	0	113.2	C280 Y321 C322	C280-N282 PolarHBondContact O-N 3.44Å; N282-Y321 HydrophobicContact CB-CD2 4.32Å; N282-Y321 HydrophobicContact CB-CE2 4.17Å; N282-Y321 WeakPolarHBondContact O-CD2 3.48Å; N282-Y321 VanDerWaalsContact O-CE2 3.31Å; N282-Y321 WeakPolarHBondContact O-CE2 3.21Å; N282-C322 PolarHBondContact ND2-O 3.42Å
283	V	83.4	Confident	83.1	Confident	8 Å²	8	57.4 Å²	57.4	5%	0.048	31%	0.306	C	S	.	.	S	Bend	trans	-87.1	126.6	179	-175.4	0	0	0	0	108.3	I248 C280 L287 I288 Y321	I248-V283 HydrophobicContact CD1-CG1 4.21Å; I248-V283 HydrophobicContact CG2-CG1 4.44Å; I248-V283 HydrophobicContact CG2-CG2 3.57Å; C280-V283 PolarHBondContact O-N 3Å; V283-L287 HydrophobicContact CG1-CB 4.19Å; V283-I288 HydrophobicContact CB-CD1 4.24Å; V283-I288 HydrophobicContact CB-CG1 4.23Å; V283-I288 HydrophobicContact CG1-CD1 4.32Å; V283-I288 HydrophobicContact CG1-CG1 3.75Å; V283-Y321 HydrophobicContact CG2-CE2 3.91Å
284	P	86.3	Confident	83.5	Confident	5 Å²	5	56.3 Å²	56.3	3%	0.032	30%	0.3	C	S	.	.			trans	-51.8	129.3	173.8	-25.9	32.6	0	0	0	111.3	L139 E286 L287 I288 I319	L139-P284 HydrophobicContact CD1-CG 4.46Å; L139-P284 HydrophobicContact CD2-CG 3.95Å; P284-E286 PolarHBondContact O-N 3.38Å; P284-E286 VanDerWaalsContact O-N 3.11Å; P284-L287 HydrophobicContact CB-CB 4.47Å; P284-L287 HydrophobicContact CB-CG 4.33Å; P284-L287 HydrophobicContact CG-CD1 4.26Å; P284-L287 HydrophobicContact CG-CG 4.48Å; P284-L287 WeakPolarHBondContact O-CB 3.47Å; P284-L287 PolarHBondContact O-N 3.43Å; P284-I288 PolarHBondContact O-N 3.4Å; P284-I319 HydrophobicContact CB-CD1 4.1Å; P284-I319 HydrophobicContact CG-CD1 3.85Å; P284-I319 HydrophobicContact CG-CG2 4.25Å
285	P	87.8	Confident	84	Confident	92 Å²	92	50.1 Å²	50.1	60%	0.597	27%	0.272	S	S	*	.	H	α-helix	trans	-54.4	-33.2	-179.9	-27.8	35.4	0	0	0	113.4	L287 I288 K289	P285-L287 VanDerWaalsContact C-N 3.3Å; P285-L287 PolarHBondContact O-N 3.14Å; P285-I288 PolarHBondContact O-N 3.41Å; P285-K289 PolarHBondContact O-N 2.93Å
286	E	89.7	Confident	84.6	Confident	124 Å²	124	50 Å²	50	58%	0.579	27%	0.274	S	S	*	.	H	α-helix	trans	-63.7	-34.7	177.3	-63	74	-164	0	0	112.2	P284 L290	P284-E286 PolarHBondContact O-N 3.38Å; P284-E286 VanDerWaalsContact O-N 3.11Å; E286-L290 WeakPolarHBondContact O-CB 3.03Å; E286-L290 PolarHBondContact O-N 3.02Å
287	L	90.1	Very high	85.5	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-73	-36.7	175.3	-77	-170.9	0	0	0	112.3	L139 V283 P284 P285 L290 M291 F312 V315	L139-L287 HydrophobicContact CD1-CD1 3.4Å; L139-L287 VanDerWaalsContact CD1-CD1 3.4Å; V283-L287 HydrophobicContact CG1-CB 4.19Å; P284-L287 HydrophobicContact CB-CB 4.47Å; P284-L287 HydrophobicContact CB-CG 4.33Å; P284-L287 HydrophobicContact CG-CD1 4.26Å; P284-L287 HydrophobicContact CG-CG 4.48Å; P284-L287 WeakPolarHBondContact O-CB 3.47Å; P284-L287 PolarHBondContact O-N 3.43Å; P285-L287 VanDerWaalsContact C-N 3.3Å; P285-L287 PolarHBondContact O-N 3.14Å; L287-L290 HydrophobicContact CD2-CD2 4.35Å; L287-L290 PolarHBondContact O-N 3.39Å; L287-M291 VanDerWaalsContact O-CB 3.27Å; L287-M291 WeakPolarHBondContact O-CB 3.42Å; L287-M291 PolarHBondContact O-N 3.09Å; L287-F312 HydrophobicContact CD2-CD1 4.06Å; L287-F312 HydrophobicContact CD2-CE1 3.52Å; L287-F312 HydrophobicContact CD2-CZ 4.04Å; L287-V315 HydrophobicContact CD2-CG2 3.92Å; L287-V315 HydrophobicContact CG-CG2 4.28Å
288	I	91.2	Very high	86.8	Confident	31 Å²	31	48 Å²	48	16%	0.159	27%	0.269	C	S	.	.	H	α-helix	trans	-61.7	-49.4	173.1	-60.9	176.2	0	0	0	109	C280 V283 P284 P285 L290 M291 E292	C280-I288 HydrophobicContact CB-CD1 4.1Å; V283-I288 HydrophobicContact CB-CD1 4.24Å; V283-I288 HydrophobicContact CB-CG1 4.23Å; V283-I288 HydrophobicContact CG1-CD1 4.32Å; V283-I288 HydrophobicContact CG1-CG1 3.75Å; P284-I288 PolarHBondContact O-N 3.4Å; P285-I288 PolarHBondContact O-N 3.41Å; I288-L290 VanDerWaalsContact C-N 3.34Å; I288-L290 PolarHBondContact O-N 3.43Å; I288-M291 WeakPolarHBondContact O-CB 3.38Å; I288-M291 PolarHBondContact O-N 2.84Å; I288-M291 VanDerWaalsContact O-N 3.15Å; I288-E292 HydrophobicContact CG2-CG 4.39Å; I288-E292 WeakPolarHBondContact O-CG 3.49Å; I288-E292 PolarHBondContact O-N 2.91Å
289	K	93.4	Very high	88.4	Confident	153 Å²	153	43 Å²	43	67%	0.665	24%	0.244	S	C	*	.	H	α-helix	trans	-59.9	-41.3	178.1	-174.9	178.5	179	-178.9	0	112.9	P285 A293	P285-K289 PolarHBondContact O-N 2.93Å; K289-A293 WeakPolarHBondContact O-CB 3.12Å; K289-A293 PolarHBondContact O-N 3.09Å
290	L	95.8	Very high	89.9	Confident	14 Å²	14	48.5 Å²	48.5	7%	0.073	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-45.8	175.5	176.7	61.7	0	0	0	111.1	E286 L287 I288 A293 M294 P303 I308 F312	E286-L290 WeakPolarHBondContact O-CB 3.03Å; E286-L290 PolarHBondContact O-N 3.02Å; L287-L290 HydrophobicContact CD2-CD2 4.35Å; L287-L290 PolarHBondContact O-N 3.39Å; I288-L290 VanDerWaalsContact C-N 3.34Å; I288-L290 PolarHBondContact O-N 3.43Å; L290-A293 PolarHBondContact O-N 3.47Å; L290-M294 HydrophobicContact CD1-CG 4.41Å; L290-M294 HydrophobicContact CD1-SD 4.2Å; L290-M294 HydrophobicContact CG-SD 3.88Å; L290-M294 VanDerWaalsContact O-CG 3.24Å; L290-M294 WeakPolarHBondContact O-CG 3.42Å; L290-M294 PolarHBondContact O-N 2.94Å; L290-P303 HydrophobicContact CD1-CG 4.27Å; L290-I308 HydrophobicContact CD1-CG1 4.31Å; L290-F312 HydrophobicContact CD2-CD2 4.06Å; L290-F312 HydrophobicContact CD2-CE2 3.66Å; L290-F312 HydrophobicContact CD2-CZ 4.02Å
291	M	95.5	Very high	91.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.3	-41.8	179	-177.7	168.5	39.5	0	0	112.1	L244 Y245 I248 F249 F275 L287 I288 M294 L295	L244-M291 HydrophobicContact CD2-CB 3.97Å; L244-M291 HydrophobicContact CD2-CG 4.43Å; L244-M291 HydrophobicContact CG-SD 4.3Å; Y245-M291 WeakPolarHBondContact CA-SD 3.4Å; Y245-M291 WeakPolarHBondContact CB-SD 3.42Å; Y245-M291 HydrophobicContact CD2-CE 4.49Å; Y245-M291 HydrophobicContact CD2-SD 3.64Å; Y245-M291 HydrophobicContact CG-SD 3.95Å; I248-M291 HydrophobicContact CD1-CE 4.1Å; I248-M291 HydrophobicContact CD1-SD 4.46Å; F249-M291 HydrophobicContact CE2-CE 4.06Å; F275-M291 HydrophobicContact CD1-CE 3.88Å; F275-M291 HydrophobicContact CE1-CE 3.38Å; F275-M291 HydrophobicContact CE1-CG 4.07Å; F275-M291 HydrophobicContact CE1-SD 3.82Å; F275-M291 HydrophobicContact CZ-CE 4.36Å; F275-M291 HydrophobicContact CZ-CG 4.43Å; L287-M291 VanDerWaalsContact O-CB 3.27Å; L287-M291 WeakPolarHBondContact O-CB 3.42Å; L287-M291 PolarHBondContact O-N 3.09Å; I288-M291 WeakPolarHBondContact O-CB 3.38Å; I288-M291 PolarHBondContact O-N 2.84Å; I288-M291 VanDerWaalsContact O-N 3.15Å; M291-M294 PolarHBondContact O-N 2.88Å; M291-L295 HydrophobicContact CG-CD1 3.93Å; M291-L295 WeakPolarHBondContact O-CB 3.37Å; M291-L295 VanDerWaalsContact O-CG 3.32Å; M291-L295 WeakPolarHBondContact O-CG 3.5Å; M291-L295 PolarHBondContact O-N 3.24Å
292	E	95.8	Very high	93.3	Very high	98 Å²	98	48.3 Å²	48.3	46%	0.458	26%	0.258	S	S	.	.	H	α-helix	trans	-58	-46.3	171.4	-73.3	174.9	154.9	0	0	111.4	F275 I288 M294 L295 S296	F275-E292 HydrophobicContact CE2-CG 3.72Å; F275-E292 HydrophobicContact CZ-CG 3.79Å; I288-E292 HydrophobicContact CG2-CG 4.39Å; I288-E292 WeakPolarHBondContact O-CG 3.49Å; I288-E292 PolarHBondContact O-N 2.91Å; E292-M294 PolarHBondContact O-N 2.81Å; E292-L295 CarbonylContact O-C 3.5Å; E292-L295 PolarHBondContact O-N 2.8Å; E292-S296 PolarHBondContact O-N 2.97Å; E292-S296 PolarHBondContact O-OG 2.88Å
293	A	97.7	Very high	94.5	Very high	34 Å²	34	46.9 Å²	46.9	28%	0.281	25%	0.251	S	S	.	.	H	α-helix	trans	-62	-42.8	177.8	0	0	0	0	0	111.8	K289 L290 L295 S296 R302	K289-A293 WeakPolarHBondContact O-CB 3.12Å; K289-A293 PolarHBondContact O-N 3.09Å; L290-A293 PolarHBondContact O-N 3.47Å; A293-L295 VanDerWaalsContact C-N 3.29Å; A293-L295 PolarHBondContact O-N 2.57Å; A293-S296 WeakPolarHBondContact O-CB 3.31Å; A293-S296 PolarHBondContact O-N 3.04Å; A293-S296 PolarHBondContact O-OG 2.86Å; A293-R302 WeakPolarHBondContact O-CA 3.49Å
294	M	98.6	Very high	95.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-32.9	175.7	-67.1	164.8	73.6	0	0	112.9	M146 V237 L240 G241 L244 L290 M291 E292 S296 R302 P303 I308	M146-M294 HydrophobicContact CE-CE 4.08Å; V237-M294 HydrophobicContact CG1-CB 4.23Å; V237-M294 HydrophobicContact CG1-CG 4.08Å; L240-M294 HydrophobicContact CB-CE 3.74Å; L240-M294 HydrophobicContact CD2-CE 3.82Å; L240-M294 HydrophobicContact CG-CE 3.49Å; L240-M294 VanDerWaalsContact CG-CE 3.49Å; G241-M294 VanDerWaalsContact N-CE 3.26Å; L244-M294 HydrophobicContact CD2-SD 4.11Å; L290-M294 HydrophobicContact CD1-CG 4.41Å; L290-M294 HydrophobicContact CD1-SD 4.2Å; L290-M294 HydrophobicContact CG-SD 3.88Å; L290-M294 VanDerWaalsContact O-CG 3.24Å; L290-M294 WeakPolarHBondContact O-CG 3.42Å; L290-M294 PolarHBondContact O-N 2.94Å; M291-M294 PolarHBondContact O-N 2.88Å; E292-M294 PolarHBondContact O-N 2.81Å; M294-S296 VanDerWaalsContact C-N 3.31Å; M294-S296 PolarHBondContact O-N 3.2Å; M294-R302 WeakPolarHBondContact O-CD 3.43Å; M294-P303 HydrophobicContact CG-CG 3.82Å; M294-I308 HydrophobicContact CE-CD1 4.09Å; M294-I308 HydrophobicContact CE-CG2 4.5Å; M294-I308 HydrophobicContact CG-CD1 4.17Å; M294-I308 HydrophobicContact CG-CG1 4.38Å; M294-I308 HydrophobicContact SD-CD1 4.35Å; M294-I308 HydrophobicContact SD-CG1 4.41Å; M294-I308 HydrophobicContact SD-CG2 4.46Å
295	L	98	Very high	95.8	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	26.2	179.6	-64.6	173.2	0	0	0	113.1	W238 P253 A271 I273 M291 E292 A293	W238-L295 HydrophobicContact CD2-CD2 4.08Å; W238-L295 HydrophobicContact CE3-CD2 4.29Å; W238-L295 HydrophobicContact CZ2-CD2 4.44Å; W238-L295 VanDerWaalsContact CZ3-C 3.47Å; W238-L295 HydrophobicContact CZ3-CB 4.4Å; W238-L295 WeakPolarHBondContact CZ3-O 3.45Å; P253-L295 HydrophobicContact CG-CD1 4.18Å; A271-L295 WeakPolarHBondContact CB-O 3.32Å; I273-L295 HydrophobicContact CD1-CD1 4.39Å; I273-L295 HydrophobicContact CG1-CB 4Å; I273-L295 HydrophobicContact CG1-CD1 3.98Å; I273-L295 HydrophobicContact CG2-CD1 4.1Å; M291-L295 HydrophobicContact CG-CD1 3.93Å; M291-L295 WeakPolarHBondContact O-CB 3.37Å; M291-L295 VanDerWaalsContact O-CG 3.32Å; M291-L295 WeakPolarHBondContact O-CG 3.5Å; M291-L295 PolarHBondContact O-N 3.24Å; E292-L295 CarbonylContact O-C 3.5Å; E292-L295 PolarHBondContact O-N 2.8Å; A293-L295 VanDerWaalsContact C-N 3.29Å; A293-L295 PolarHBondContact O-N 2.57Å
296	S	98	Very high	96.3	Very high	26 Å²	26	48.9 Å²	48.9	18%	0.182	26%	0.263	C	S	.	.			trans	-71.4	135.5	172	-59.2	0	0	0	0	111.4	E292 A293 M294 N298 R302	E292-S296 PolarHBondContact O-N 2.97Å; E292-S296 PolarHBondContact O-OG 2.88Å; A293-S296 WeakPolarHBondContact O-CB 3.31Å; A293-S296 PolarHBondContact O-N 3.04Å; A293-S296 PolarHBondContact O-OG 2.86Å; M294-S296 VanDerWaalsContact C-N 3.31Å; M294-S296 PolarHBondContact O-N 3.2Å; S296-N298 VanDerWaalsContact C-N 3.35Å; S296-N298 PolarHBondContact O-N 3.45Å; S296-R302 PolarHBondContact O-NE 3.09Å; S296-R302 PolarHBondContact O-NH2 2.86Å
297	A	96.5	Very high	96.7	Very high	38 Å²	38	48.2 Å²	48.2	31%	0.314	26%	0.26	S	S	.	.	S	Bend	trans	-58.6	-46.7	178.5	0	0	0	0	0	111.7	A271 P299 R302	A271-A297 HydrophobicContact CB-CB 3.72Å; A297-P299 WeakPolarHBondContact O-CD 3.42Å; A297-R302 PolarHBondContact O-NH2 2.75Å
298	N	96.5	Very high	97.1	Very high	73 Å²	73	48.1 Å²	48.1	39%	0.39	26%	0.259	S	S	.	.	S	Bend	trans	-76.6	122.4	176.2	174.6	12.6	0	0	0	110.7	S296 Q300 D301	S296-N298 VanDerWaalsContact C-N 3.35Å; S296-N298 PolarHBondContact O-N 3.45Å; N298-Q300 PolarHBondContact O-N 3.42Å; N298-Q300 PolarHBondContact OD1-N 2.86Å; N298-Q300 VanDerWaalsContact OD1-N 3.12Å; N298-D301 VanDerWaalsContact CB-OD2 3.26Å; N298-D301 WeakPolarHBondContact CB-OD2 3.41Å; N298-D301 PolarHBondContact ND2-OD2 3.09Å; N298-D301 PolarHBondContact O-N 2.9Å
299	P	97.9	Very high	97.4	Very high	24 Å²	24	47 Å²	47	16%	0.156	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-57.8	-29.4	179.7	-26	35.5	0	0	0	114.7	E221 K234 A297 D301 R302	E221-P299 HydrophobicContact CB-CG 4.3Å; E221-P299 HydrophobicContact CG-CG 4.13Å; K234-P299 HydrophobicContact CB-CB 3.76Å; K234-P299 HydrophobicContact CG-CB 4.27Å; K234-P299 WeakPolarHBondContact CG-O 3.5Å; A297-P299 WeakPolarHBondContact O-CD 3.42Å; P299-D301 VanDerWaalsContact C-N 3.29Å; P299-D301 PolarHBondContact O-N 2.87Å; P299-R302 PolarHBondContact O-N 3Å
300	Q	96.7	Very high	97.6	Very high	131 Å²	131	44.3 Å²	44.3	61%	0.612	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-70.7	-25.1	-178.6	-61.3	-59	-28.6	0	0	113.2	N298 R302	N298-Q300 PolarHBondContact O-N 3.42Å; N298-Q300 PolarHBondContact OD1-N 2.86Å; N298-Q300 VanDerWaalsContact OD1-N 3.12Å; Q300-R302 VanDerWaalsContact C-N 3.3Å
301	D	97.8	Very high	97.7	Very high	106 Å²	106	46 Å²	46	57%	0.567	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-82.4	-12.5	179.5	-62.4	-37.7	0	0	0	112.2	N298 P299	N298-D301 VanDerWaalsContact CB-OD2 3.26Å; N298-D301 WeakPolarHBondContact CB-OD2 3.41Å; N298-D301 PolarHBondContact ND2-OD2 3.09Å; N298-D301 PolarHBondContact O-N 2.9Å; P299-D301 VanDerWaalsContact C-N 3.29Å; P299-D301 PolarHBondContact O-N 2.87Å
302	R	98.5	Very high	97.6	Very high	4 Å²	4	46 Å²	46	2%	0.015	26%	0.257	C	S	.	.	S	Bend	trans	-75.1	145.9	177.7	-56.9	178.9	-162.7	144.6	10.9	110.3	E221 K234 V237 A293 M294 S296 A297 P299 Q300	E221-R302 IonicContact OE1-CZ 3.77Å; E221-R302 IonicContact OE1-NH1 3.57Å; E221-R302 PolarHBondContact OE1-NH1 2.94Å; E221-R302 IonicContact OE1-NH2 2.97Å; E221-R302 IonicContact OE2-CZ 3.35Å; E221-R302 IonicContact OE2-NH1 3.82Å; E221-R302 PolarHBondContact OE2-NH1 3.11Å; E221-R302 IonicContact OE2-NH2 2.88Å; E221-R302 PolarHBondContact OE2-NH2 3.42Å; K234-R302 VanDerWaalsContact C-NH1 3.35Å; K234-R302 HydrophobicContact CD-CB 4.21Å; K234-R302 PolarHBondContact NZ-O 3.36Å; K234-R302 PolarHBondContact O-NH1 2.83Å; V237-R302 HydrophobicContact CG1-CB 3.94Å; A293-R302 WeakPolarHBondContact O-CA 3.49Å; M294-R302 WeakPolarHBondContact O-CD 3.43Å; S296-R302 PolarHBondContact O-NE 3.09Å; S296-R302 PolarHBondContact O-NH2 2.86Å; A297-R302 PolarHBondContact O-NH2 2.75Å; P299-R302 PolarHBondContact O-N 3Å; Q300-R302 VanDerWaalsContact C-N 3.3Å
303	P	98.6	Very high	97.5	Very high	16 Å²	16	46.8 Å²	46.8	10%	0.104	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-66.3	161.9	174.7	27.9	-34.4	0	0	0	112.1	K234 V237 L290 M294 Q307 I308	K234-P303 PolarHBondContact NZ-O 2.96Å; V237-P303 HydrophobicContact CG1-CG 4.45Å; L290-P303 HydrophobicContact CD1-CG 4.27Å; M294-P303 HydrophobicContact CG-CG 3.82Å; P303-Q307 HydrophobicContact CB-CB 3.98Å; P303-I308 HydrophobicContact CB-CG1 4.01Å; P303-I308 HydrophobicContact CG-CD1 4.02Å; P303-I308 HydrophobicContact CG-CG1 3.63Å
304	S	98.6	Very high	97.1	Very high	37 Å²	37	50.4 Å²	50.4	26%	0.259	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-76.7	161.1	165.8	73	0	0	0	0	110.8	T306 Q307 I308	S304-T306 PolarHBondContact O-N 3.47Å; S304-Q307 WeakPolarHBondContact O-CB 3.49Å; S304-Q307 PolarHBondContact O-N 2.58Å; S304-Q307 VanDerWaalsContact O-N 3.07Å; S304-Q307 WeakPolarHBondContact OG-CG 3.4Å; S304-Q307 PolarHBondContact OG-N 3.27Å; S304-Q307 PolarHBondContact OG-OE1 3.38Å; S304-I308 WeakPolarHBondContact O-CG1 3.36Å; S304-I308 PolarHBondContact O-N 3.37Å
305	L	98.7	Very high	96.4	Very high	11 Å²	11	50.9 Å²	50.9	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-56.8	-39.4	175.7	-65.6	170.2	0	0	0	112.2	L153 I154 L157 V237 L240 Q307 I308 V309	L153-L305 HydrophobicContact CB-CD1 3.49Å; L153-L305 VanDerWaalsContact CB-CD1 3.49Å; L153-L305 HydrophobicContact CB-CD2 4.17Å; L153-L305 HydrophobicContact CB-CG 4.49Å; L153-L305 HydrophobicContact CD1-CD1 4.48Å; L153-L305 HydrophobicContact CD1-CD2 3.77Å; I154-L305 HydrophobicContact CD1-CB 4Å; I154-L305 HydrophobicContact CG1-CB 3.71Å; I154-L305 HydrophobicContact CG1-CD1 3.95Å; L157-L305 HydrophobicContact CD1-CD1 3.58Å; V237-L305 HydrophobicContact CG2-CD2 4.16Å; V237-L305 HydrophobicContact CG2-CG 4.49Å; L240-L305 HydrophobicContact CD2-CD2 4.22Å; L305-Q307 VanDerWaalsContact C-N 3.35Å; L305-Q307 PolarHBondContact O-N 2.68Å; L305-I308 HydrophobicContact CD2-CD1 4.4Å; L305-I308 WeakPolarHBondContact O-CB 3Å; L305-I308 PolarHBondContact O-N 2.84Å; L305-V309 WeakPolarHBondContact O-CG2 3.47Å; L305-V309 PolarHBondContact O-N 3.05Å
306	T	98.3	Very high	95.3	Very high	99 Å²	99	54.3 Å²	54.3	61%	0.607	30%	0.298	S	S	*	.	H	α-helix	trans	-62.2	-40.9	176	-47.4	0	0	0	0	112.1	S304 I308 V309 E310	S304-T306 PolarHBondContact O-N 3.47Å; T306-I308 VanDerWaalsContact C-N 3.33Å; T306-V309 PolarHBondContact O-N 2.9Å; T306-E310 WeakPolarHBondContact O-CB 3.34Å; T306-E310 PolarHBondContact O-N 3.45Å
307	Q	98.5	Very high	93.8	Very high	111 Å²	111	61.1 Å²	61.1	52%	0.519	33%	0.328	S	S	.	.	H	α-helix	trans	-66.5	-35.2	175.8	-72.9	171.7	-41	0	0	112.1	P303 S304 L305 S311	P303-Q307 HydrophobicContact CB-CB 3.98Å; S304-Q307 WeakPolarHBondContact O-CB 3.49Å; S304-Q307 PolarHBondContact O-N 2.58Å; S304-Q307 VanDerWaalsContact O-N 3.07Å; S304-Q307 WeakPolarHBondContact OG-CG 3.4Å; S304-Q307 PolarHBondContact OG-N 3.27Å; S304-Q307 PolarHBondContact OG-OE1 3.38Å; L305-Q307 VanDerWaalsContact C-N 3.35Å; L305-Q307 PolarHBondContact O-N 2.68Å; Q307-S311 WeakPolarHBondContact O-CB 3.43Å; Q307-S311 PolarHBondContact O-N 3.09Å; Q307-S311 PolarHBondContact O-OG 2.97Å
308	I	98.7	Very high	91.8	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-65.6	-48.7	175.3	-63.1	164.6	0	0	0	110	V237 L240 L290 M294 P303 S304 L305 T306 E310 S311 F312	V237-I308 HydrophobicContact CG1-CD1 3.75Å; V237-I308 HydrophobicContact CG2-CD1 4.29Å; L240-I308 HydrophobicContact CD2-CD1 4.14Å; L240-I308 HydrophobicContact CD2-CG2 4.41Å; L290-I308 HydrophobicContact CD1-CG1 4.31Å; M294-I308 HydrophobicContact CE-CD1 4.09Å; M294-I308 HydrophobicContact CE-CG2 4.5Å; M294-I308 HydrophobicContact CG-CD1 4.17Å; M294-I308 HydrophobicContact CG-CG1 4.38Å; M294-I308 HydrophobicContact SD-CD1 4.35Å; M294-I308 HydrophobicContact SD-CG1 4.41Å; M294-I308 HydrophobicContact SD-CG2 4.46Å; P303-I308 HydrophobicContact CB-CG1 4.01Å; P303-I308 HydrophobicContact CG-CD1 4.02Å; P303-I308 HydrophobicContact CG-CG1 3.63Å; S304-I308 WeakPolarHBondContact O-CG1 3.36Å; S304-I308 PolarHBondContact O-N 3.37Å; L305-I308 HydrophobicContact CD2-CD1 4.4Å; L305-I308 WeakPolarHBondContact O-CB 3Å; L305-I308 PolarHBondContact O-N 2.84Å; T306-I308 VanDerWaalsContact C-N 3.33Å; I308-E310 VanDerWaalsContact C-N 3.3Å; I308-E310 PolarHBondContact O-N 3.09Å; I308-S311 WeakPolarHBondContact O-CB 3.41Å; I308-S311 PolarHBondContact O-N 3.35Å; I308-F312 HydrophobicContact CG2-CD2 3.83Å; I308-F312 HydrophobicContact CG2-CE2 3.74Å; I308-F312 VanDerWaalsContact O-CD2 3.32Å; I308-F312 WeakPolarHBondContact O-CD2 3.29Å; I308-F312 PolarHBondContact O-N 3.28Å
309	V	98.4	Very high	89.8	Confident	9 Å²	9	67.7 Å²	67.7	6%	0.055	35%	0.351	C	S	.	.	H	α-helix	trans	-56	-46.4	175.9	170.9	0	0	0	0	111	I147 C150 I154 L305 T306 S311 F312 K313	I147-V309 HydrophobicContact CG2-CG1 4.38Å; C150-V309 HydrophobicContact CB-CG2 3.32Å; I154-V309 HydrophobicContact CD1-CG2 4.32Å; L305-V309 WeakPolarHBondContact O-CG2 3.47Å; L305-V309 PolarHBondContact O-N 3.05Å; T306-V309 PolarHBondContact O-N 2.9Å; V309-S311 PolarHBondContact O-N 2.89Å; V309-F312 PolarHBondContact O-N 3.38Å; V309-K313 HydrophobicContact CG1-CD 4.14Å; V309-K313 WeakPolarHBondContact O-CG 3.49Å; V309-K313 PolarHBondContact O-N 3.37Å
310	E	97.4	Very high	87.4	Confident	96 Å²	96	74.2 Å²	74.2	45%	0.449	38%	0.381	S	S	.	.	H	α-helix	trans	-64.5	-40	179.2	-170.6	55.3	-148.2	0	0	112.1	T306 I308 F312 K313 N314	T306-E310 WeakPolarHBondContact O-CB 3.34Å; T306-E310 PolarHBondContact O-N 3.45Å; I308-E310 VanDerWaalsContact C-N 3.3Å; I308-E310 PolarHBondContact O-N 3.09Å; E310-F312 VanDerWaalsContact C-N 3.35Å; E310-F312 PolarHBondContact O-N 3.01Å; E310-K313 PolarHBondContact O-N 3.49Å; E310-N314 PolarHBondContact O-N 3.26Å; E310-N314 VanDerWaalsContact O-N 3.14Å; E310-N314 PolarHBondContact O-ND2 3.1Å; E310-N314 PolarHBondContact OE1-ND2 2.62Å
311	S	96.2	Very high	85.2	Confident	50 Å²	50	69.7 Å²	69.7	35%	0.35	36%	0.359	S	S	.	.	H	α-helix	trans	-60	-45.4	175.4	-59.2	0	0	0	0	111.1	Q307 I308 V309 N314 V315	Q307-S311 WeakPolarHBondContact O-CB 3.43Å; Q307-S311 PolarHBondContact O-N 3.09Å; Q307-S311 PolarHBondContact O-OG 2.97Å; I308-S311 WeakPolarHBondContact O-CB 3.41Å; I308-S311 PolarHBondContact O-N 3.35Å; V309-S311 PolarHBondContact O-N 2.89Å; S311-N314 PolarHBondContact O-N 2.9Å; S311-V315 WeakPolarHBondContact O-CG2 3.34Å; S311-V315 PolarHBondContact O-N 3.22Å
312	F	95.1	Very high	82.5	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-65.7	-38	176.6	-85.1	-70.1	0	0	0	113.5	I142 K143 M146 I147 L244 L287 L290 I308 V309 E310 N314 V315	I142-F312 HydrophobicContact CG2-CE1 4.25Å; K143-F312 HydrophobicContact CB-CD1 4.33Å; K143-F312 WeakPolarHBondContact CD-O 3.43Å; K143-F312 WeakPolarHBondContact CE-O 3.3Å; K143-F312 HydrophobicContact CG-CB 4.33Å; K143-F312 PolarHBondContact NZ-O 3.21Å; M146-F312 HydrophobicContact CB-CD1 4.29Å; M146-F312 HydrophobicContact CB-CD2 3.78Å; M146-F312 HydrophobicContact CB-CE1 3.94Å; M146-F312 HydrophobicContact CB-CE2 3.4Å; M146-F312 VanDerWaalsContact CB-CE2 3.4Å; M146-F312 HydrophobicContact CB-CG 4.22Å; M146-F312 HydrophobicContact CB-CZ 3.51Å; M146-F312 HydrophobicContact CE-CE2 3.85Å; M146-F312 HydrophobicContact CE-CZ 4.01Å; M146-F312 HydrophobicContact CG-CE1 3.97Å; M146-F312 HydrophobicContact CG-CE2 3.84Å; M146-F312 HydrophobicContact CG-CZ 3.47Å; M146-F312 VanDerWaalsContact CG-CZ 3.47Å; I147-F312 HydrophobicContact CD1-CB 4Å; I147-F312 HydrophobicContact CG1-CB 3.79Å; L244-F312 HydrophobicContact CD1-CE1 4.33Å; L244-F312 HydrophobicContact CD1-CZ 3.81Å; L244-F312 HydrophobicContact CD2-CZ 3.89Å; L244-F312 HydrophobicContact CG-CZ 4.48Å; L287-F312 HydrophobicContact CD2-CD1 4.06Å; L287-F312 HydrophobicContact CD2-CE1 3.52Å; L287-F312 HydrophobicContact CD2-CZ 4.04Å; L290-F312 HydrophobicContact CD2-CD2 4.06Å; L290-F312 HydrophobicContact CD2-CE2 3.66Å; L290-F312 HydrophobicContact CD2-CZ 4.02Å; I308-F312 HydrophobicContact CG2-CD2 3.83Å; I308-F312 HydrophobicContact CG2-CE2 3.74Å; I308-F312 VanDerWaalsContact O-CD2 3.32Å; I308-F312 WeakPolarHBondContact O-CD2 3.29Å; I308-F312 PolarHBondContact O-N 3.28Å; V309-F312 PolarHBondContact O-N 3.38Å; E310-F312 VanDerWaalsContact C-N 3.35Å; E310-F312 PolarHBondContact O-N 3.01Å; F312-N314 VanDerWaalsContact C-N 3.26Å; F312-N314 PolarHBondContact O-N 3.34Å; F312-V315 PolarHBondContact O-N 3.43Å
313	K	92.6	Very high	79.9	Confident	114 Å²	114	71.5 Å²	71.5	50%	0.496	37%	0.374	S	S	.	.	H	α-helix	trans	-59.2	-39.6	176.1	-77.9	174.7	178.6	173.6	0	111.9	K143 I147 V309 E310 V315	K143-K313 PolarHBondContact NZ-O 3.08Å; I147-K313 HydrophobicContact CD1-CG 4.15Å; V309-K313 HydrophobicContact CG1-CD 4.14Å; V309-K313 WeakPolarHBondContact O-CG 3.49Å; V309-K313 PolarHBondContact O-N 3.37Å; E310-K313 PolarHBondContact O-N 3.49Å; K313-V315 VanDerWaalsContact C-N 3.33Å; K313-V315 PolarHBondContact O-N 2.98Å
314	N	90	Very high	77	Confident	110 Å²	110	78.2 Å²	78.2	59%	0.588	41%	0.409	S	S	*	.	H	α-helix	trans	-79.6	-8.4	-178.6	-69	-47.2	0	0	0	114.5	E310 S311 F312 P316	E310-N314 PolarHBondContact O-N 3.26Å; E310-N314 VanDerWaalsContact O-N 3.14Å; E310-N314 PolarHBondContact O-ND2 3.1Å; E310-N314 PolarHBondContact OE1-ND2 2.62Å; S311-N314 PolarHBondContact O-N 2.9Å; F312-N314 VanDerWaalsContact C-N 3.26Å; F312-N314 PolarHBondContact O-N 3.34Å; N314-P316 WeakPolarHBondContact O-CD 3.18Å
315	V	83.4	Confident	74.3	Confident	10 Å²	10	78.4 Å²	78.4	6%	0.061	41%	0.406	C	S	.	.	S	Bend	trans	-69.2	122.7	171.1	178.5	0	0	0	0	109.4	L139 K143 L287 S311 F312 K313	L139-V315 HydrophobicContact CD1-CG1 4.19Å; L139-V315 HydrophobicContact CD2-CG1 3.72Å; L139-V315 HydrophobicContact CG-CG1 4.2Å; K143-V315 PolarHBondContact NZ-O 2.97Å; K143-V315 VanDerWaalsContact NZ-O 3.09Å; L287-V315 HydrophobicContact CD2-CG2 3.92Å; L287-V315 HydrophobicContact CG-CG2 4.28Å; S311-V315 WeakPolarHBondContact O-CG2 3.34Å; S311-V315 PolarHBondContact O-N 3.22Å; F312-V315 PolarHBondContact O-N 3.43Å; K313-V315 VanDerWaalsContact C-N 3.33Å; K313-V315 PolarHBondContact O-N 2.98Å
316	P	75	Confident	71.3	Confident	75 Å²	75	83.5 Å²	83.5	49%	0.487	44%	0.442	S	S	.	.			trans	-61.9	142.1	-180	-20.5	31.3	0	0	0	112.5	N314 E318 I319	N314-P316 WeakPolarHBondContact O-CD 3.18Å; P316-E318 VanDerWaalsContact C-N 3.28Å; P316-E318 PolarHBondContact O-N 2.58Å; P316-I319 HydrophobicContact CB-CG1 4.39Å; P316-I319 HydrophobicContact CG-CD1 4.34Å
317	E	65.9	Low	68.4	Low	170 Å²	170	82.8 Å²	82.8	79%	0.794	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-26	177.8	-66.1	-175.5	173.7	0	0	112.9	I319	E317-I319 VanDerWaalsContact C-N 3.33Å; E317-I319 PolarHBondContact O-N 2.93Å
318	E	55.8	Low	65.6	Low	184 Å²	184	81.5 Å²	81.5	86%	0.86	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-2.4	-168.3	-63.8	178.6	171.2	0	0	114.7	P316 M320	P316-E318 VanDerWaalsContact C-N 3.28Å; P316-E318 PolarHBondContact O-N 2.58Å; E318-M320 VanDerWaalsContact C-N 3.32Å; E318-M320 PolarHBondContact O-N 3.41Å
319	I	52.9	Low	62.4	Low	64 Å²	64	87.7 Å²	87.7	33%	0.328	48%	0.48	S	S	.	.			trans	-72.8	93.8	176.6	-55.8	175.7	0	0	0	107.9	L139 P284 P316 E317 Y321	L139-I319 HydrophobicContact CD2-CB 3.98Å; P284-I319 HydrophobicContact CB-CD1 4.1Å; P284-I319 HydrophobicContact CG-CD1 3.85Å; P284-I319 HydrophobicContact CG-CG2 4.25Å; P316-I319 HydrophobicContact CB-CG1 4.39Å; P316-I319 HydrophobicContact CG-CD1 4.34Å; E317-I319 VanDerWaalsContact C-N 3.33Å; E317-I319 PolarHBondContact O-N 2.93Å; I319-Y321 PolarHBondContact O-N 3.02Å
320	M	49.3	Very low	59.7	Low	161 Å²	161	93.4 Å²	93.4	79%	0.793	50%	0.501	S	S	*	.			trans	-59.1	100.4	169.1	-89.1	-155.1	-83.2	0	0	109	E318 C322	E318-M320 VanDerWaalsContact C-N 3.32Å; E318-M320 PolarHBondContact O-N 3.41Å; M320-C322 PolarHBondContact O-N 2.91Å
321	Y	48.8	Very low	56.5	Low	36 Å²	36	94.3 Å²	94.3	14%	0.141	52%	0.518	C	S	.	.			trans	-70.6	78	167.6	-163.7	-88	0	0	0	108.1	M136 N282 V283 I319	M136-Y321 HydrophobicContact CB-CD1 3.94Å; M136-Y321 HydrophobicContact CB-CE1 3.49Å; M136-Y321 VanDerWaalsContact CB-CE1 3.49Å; M136-Y321 HydrophobicContact CE-CE1 3.87Å; M136-Y321 WeakPolarHBondContact CE-OH 3.05Å; M136-Y321 HydrophobicContact CG-CE1 3.76Å; N282-Y321 HydrophobicContact CB-CD2 4.32Å; N282-Y321 HydrophobicContact CB-CE2 4.17Å; N282-Y321 WeakPolarHBondContact O-CD2 3.48Å; N282-Y321 VanDerWaalsContact O-CE2 3.31Å; N282-Y321 WeakPolarHBondContact O-CE2 3.21Å; V283-Y321 HydrophobicContact CG2-CE2 3.91Å; I319-Y321 PolarHBondContact O-N 3.02Å
322	C	42.3	Very low	53.7	Low	74 Å²	74	102.6 Å²	102.6	50%	0.5	56%	0.557	S	S	.	*			trans	-99.2	124.9	-175.3	-80.8	0	0	0	0	112.3	N282 M320	N282-C322 PolarHBondContact ND2-O 3.42Å; M320-C322 PolarHBondContact O-N 2.91Å
323	N	43.5	Very low	51.6	Low	75 Å²	75	107.7 Å²	107.7	40%	0.401	59%	0.585	S	S	.	*			trans	-65.9	131.1	-175.2	-128.2	-11	0	0	0	112.8	N134	N134-N323 PolarHBondContact O-ND2 2.78Å
324	N	37.3	Very low	49.4	Very low	156 Å²	156	107.4 Å²	107.4	83%	0.834	59%	0.59	S	S	*	*			trans	-147.1	69.1	157.4	-95.2	-15.9	0	0	0	108.4
325	Q	43.3	Very low	47.2	Very low	42 Å²	42	107.2 Å²	107.2	20%	0.196	59%	0.59	C	S	.	*			trans	-133.1	99.5	170.9	-71	-157.7	-44.9	0	0	111.6	N134 D278 S279	N134-Q325 PolarHBondContact ND2-O 3.28Å; D278-Q325 PolarHBondContact O-NE2 2.8Å; S279-Q325 VanDerWaalsContact CA-NE2 3.34Å; S279-Q325 PolarHBondContact OG-NE2 3.45Å; S279-Q325 PolarHBondContact OG-OE1 3.23Å
326	S	35.2	Very low	45	Very low	118 Å²	118	112.9 Å²	112.9	83%	0.825	62%	0.621	S	S	*	*			trans	-71.3	127.2	155.5	35.1	0	0	0	0	108.1
327	A	37.1	Very low	43.2	Very low	83 Å²	83	115.3 Å²	115.3	69%	0.686	63%	0.629	S	S	*	*			trans	50.8	87.9	159.1	0	0	0	0	0	117.1	T329	A327-T329 PolarHBondContact O-N 3.49Å; A327-T329 VanDerWaalsContact O-N 3.08Å
328	I	38.8	Very low	41.7	Very low	85 Å²	85	111.7 Å²	111.7	44%	0.436	62%	0.618	S	S	.	*			trans	-58.6	111.7	156.6	-58.7	164.5	0	0	0	108	Y330	I328-Y330 HydrophobicContact CB-CE2 4.45Å; I328-Y330 HydrophobicContact CG2-CD2 3.52Å; I328-Y330 HydrophobicContact CG2-CE1 4.32Å; I328-Y330 HydrophobicContact CG2-CE2 3.2Å; I328-Y330 HydrophobicContact CG2-CG 4.2Å
329	T	32.2	Very low	40.7	Very low	130 Å²	130	106.5 Å²	106.5	80%	0.798	60%	0.601	S	S	*	*			trans	-106.2	104.4	161.5	29.4	0	0	0	0	107.3	A327 S331	A327-T329 PolarHBondContact O-N 3.49Å; A327-T329 VanDerWaalsContact O-N 3.08Å; T329-S331 PolarHBondContact O-N 3.07Å
330	Y	41.4	Very low	39.7	Very low	129 Å²	129	109.8 Å²	109.8	51%	0.506	62%	0.622	S	S	.	*			trans	-70.5	107.6	164.8	-69.2	-80.6	0	0	0	107	F256 I328 L332	F256-Y330 HydrophobicContact CD1-CE1 4.2Å; F256-Y330 HydrophobicContact CE1-CD1 4.47Å; F256-Y330 AromaticContact CE1-CE1 3.63Å; F256-Y330 HydrophobicContact CE1-CE1 3.63Å; F256-Y330 HydrophobicContact CE1-CE2 4.18Å; F256-Y330 AromaticContact CE1-CZ 3.48Å; F256-Y330 VanDerWaalsContact CE1-CZ 3.48Å; F256-Y330 WeakPolarHBondContact CE1-OH 3.29Å; F256-Y330 HydrophobicContact CZ-CE1 4.26Å; F256-Y330 AromaticContact CZ-CZ 3.96Å; F256-Y330 WeakPolarHBondContact CZ-OH 3.32Å; I328-Y330 HydrophobicContact CB-CE2 4.45Å; I328-Y330 HydrophobicContact CG2-CD2 3.52Å; I328-Y330 HydrophobicContact CG2-CE1 4.32Å; I328-Y330 HydrophobicContact CG2-CE2 3.2Å; I328-Y330 HydrophobicContact CG2-CG 4.2Å; Y330-L332 PolarHBondContact O-N 3.12Å
331	S	31.1	Very low	38.9	Very low	114 Å²	114	105.5 Å²	105.5	80%	0.797	61%	0.608	S	S	*	*			trans	-66.7	112.2	161.6	56.2	0	0	0	0	107.4	T329	T329-S331 PolarHBondContact O-N 3.07Å
332	L	35.8	Very low	38	Very low	224 Å²	224	111.8 Å²	111.8	100%	1.173	65%	0.65	S	S	*	*			trans	-53.1	0	164.2	-69.8	164.9	0	0	0	110.9	Y330	Y330-L332 PolarHBondContact O-N 3.12Å

Retrieved 332 of 332 residues in 176.5 ms (Link to these results)

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