Q9ARM8_ORYSJ Loading...

Os01g0113800 protein

AlphaFold DB , UniProt , Accession Q9ARM8, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene n/a, Length 630 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	49.6	Very low	47.8	Very low	192 Å²	192	107.8 Å²	107.8	95%	0.946	62%	0.62	S	S	*	*				0	-43.4	0	-87.9	-173.1	172.6	0	0	112.8	T3 I4	M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 3.36Å; M1-I4 PolarHBondContact O-N 2.73Å
2	G	43.1	Very low	47.8	Very low	60 Å²	60	103.3 Å²	103.3	62%	0.619	60%	0.599	S	S	*	*	H	α-helix	trans	-58.6	-34.6	178.6	0	0	0	0	0	115.5	I4	G2-I4 VanDerWaalsContact C-N 3.29Å; G2-I4 PolarHBondContact O-N 2.82Å
3	T	46.6	Very low	47.6	Very low	112 Å²	112	102.8 Å²	102.8	69%	0.687	60%	0.598	S	S	*	*	H	α-helix	trans	-70.3	-19.5	175.4	39.1	0	0	0	0	114.4	M1 T7	M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 3.36Å; T3-T7 WeakPolarHBondContact O-CG2 3.24Å; T3-T7 PolarHBondContact O-N 3.31Å; T3-T7 PolarHBondContact O-OG1 2.98Å; T3-T7 VanDerWaalsContact O-OG1 3.14Å
4	I	51.5	Low	47.4	Very low	114 Å²	114	102.9 Å²	102.9	59%	0.585	60%	0.595	S	S	*	*	H	α-helix	trans	-83	-31.6	-179.4	-59.8	174.2	0	0	0	110.9	M1 G2 T7 A8	M1-I4 PolarHBondContact O-N 2.73Å; G2-I4 VanDerWaalsContact C-N 3.29Å; G2-I4 PolarHBondContact O-N 2.82Å; I4-T7 WeakPolarHBondContact CA-OG1 3.06Å; I4-T7 PolarHBondContact O-OG1 2.7Å; I4-A8 PolarHBondContact O-N 3.16Å
5	L	46.1	Very low	47.4	Very low	132 Å²	132	100.4 Å²	100.4	69%	0.691	59%	0.585	S	S	*	*	H	α-helix	trans	-74.4	-38.3	177.8	-78.8	157.7	0	0	0	111.7	A8 F9	L5-A8 PolarHBondContact O-N 3.3Å; L5-F9 PolarHBondContact O-N 2.97Å; L5-F9 VanDerWaalsContact O-N 3.12Å
6	A	46.5	Very low	47	Very low	54 Å²	54	103.9 Å²	103.9	45%	0.446	59%	0.594	S	S	.	*	H	α-helix	trans	-65.5	-39.3	176	0	0	0	0	0	112.3	F9 L10	A6-F9 PolarHBondContact O-N 3.29Å; A6-L10 PolarHBondContact O-N 3.1Å
7	T	50.9	Low	46.4	Very low	75 Å²	75	100.9 Å²	100.9	46%	0.46	59%	0.591	S	S	.	*	H	α-helix	trans	-68.3	-35.9	176	50.1	0	0	0	0	112.1	T3 I4 L11	T3-T7 WeakPolarHBondContact O-CG2 3.24Å; T3-T7 PolarHBondContact O-N 3.31Å; T3-T7 PolarHBondContact O-OG1 2.98Å; T3-T7 VanDerWaalsContact O-OG1 3.14Å; I4-T7 WeakPolarHBondContact CA-OG1 3.06Å; I4-T7 PolarHBondContact O-OG1 2.7Å; T7-L11 VanDerWaalsContact O-CB 3.29Å; T7-L11 WeakPolarHBondContact O-CB 3.45Å; T7-L11 WeakPolarHBondContact O-CD1 3.36Å; T7-L11 WeakPolarHBondContact O-CG 3.46Å; T7-L11 PolarHBondContact O-N 3.44Å
8	A	50.7	Low	46	Very low	58 Å²	58	98.7 Å²	98.7	48%	0.479	58%	0.582	S	S	.	*	H	α-helix	trans	-63.6	-40.7	174.3	0	0	0	0	0	112.5	I4 L5 L11 S12	I4-A8 PolarHBondContact O-N 3.16Å; L5-A8 PolarHBondContact O-N 3.3Å; A8-L11 PolarHBondContact O-N 2.65Å; A8-S12 PolarHBondContact O-N 3.19Å; A8-S12 VanDerWaalsContact O-N 3.1Å
9	F	44.4	Very low	45.4	Very low	158 Å²	158	103.8 Å²	103.8	69%	0.693	59%	0.591	S	S	*	*	H	α-helix	trans	-69.2	-43.2	178.4	-135.2	-85.8	0	0	0	111.8	L5 A6 L11 S12 V13	L5-F9 PolarHBondContact O-N 2.97Å; L5-F9 VanDerWaalsContact O-N 3.12Å; A6-F9 PolarHBondContact O-N 3.29Å; F9-L11 VanDerWaalsContact C-N 3.35Å; F9-L11 PolarHBondContact O-N 3.36Å; F9-S12 PolarHBondContact O-N 3.45Å; F9-S12 PolarHBondContact O-OG 2.93Å; F9-V13 PolarHBondContact O-N 3.24Å
10	L	45.5	Very low	44.9	Very low	112 Å²	112	105.9 Å²	105.9	59%	0.586	60%	0.599	S	S	*	*	H	α-helix	trans	-63.6	-37.3	174.6	-87.7	154.8	0	0	0	112.6	A6 S12 V13 L14	A6-L10 PolarHBondContact O-N 3.1Å; L10-S12 VanDerWaalsContact C-N 3.31Å; L10-S12 PolarHBondContact O-N 3.41Å; L10-V13 PolarHBondContact O-N 3.43Å; L10-L14 WeakPolarHBondContact O-CB 3.34Å; L10-L14 WeakPolarHBondContact O-CG 3.26Å; L10-L14 PolarHBondContact O-N 3.02Å
11	L	50.7	Low	44.3	Very low	119 Å²	119	104.5 Å²	104.5	62%	0.623	60%	0.601	S	S	*	*	H	α-helix	trans	-65.7	-33.1	174.4	-78	163	0	0	0	112.1	T7 A8 F9 S15	T7-L11 VanDerWaalsContact O-CB 3.29Å; T7-L11 WeakPolarHBondContact O-CB 3.45Å; T7-L11 WeakPolarHBondContact O-CD1 3.36Å; T7-L11 WeakPolarHBondContact O-CG 3.46Å; T7-L11 PolarHBondContact O-N 3.44Å; A8-L11 PolarHBondContact O-N 2.65Å; F9-L11 VanDerWaalsContact C-N 3.35Å; F9-L11 PolarHBondContact O-N 3.36Å; L11-S15 VanDerWaalsContact O-CB 3.28Å; L11-S15 WeakPolarHBondContact O-CB 3.44Å; L11-S15 PolarHBondContact O-N 3.01Å; L11-S15 PolarHBondContact O-OG 2.93Å
12	S	48.6	Very low	43.6	Very low	53 Å²	53	102.4 Å²	102.4	37%	0.371	59%	0.591	S	S	.	*	H	α-helix	trans	-67.3	-42.4	176.3	79	0	0	0	0	112.1	A8 F9 L10 S15 H16	A8-S12 PolarHBondContact O-N 3.19Å; A8-S12 VanDerWaalsContact O-N 3.1Å; F9-S12 PolarHBondContact O-N 3.45Å; F9-S12 PolarHBondContact O-OG 2.93Å; L10-S12 VanDerWaalsContact C-N 3.31Å; L10-S12 PolarHBondContact O-N 3.41Å; S12-S15 PolarHBondContact O-N 2.91Å; S12-S15 PolarHBondContact O-OG 2.98Å; S12-H16 PolarHBondContact O-N 3.13Å
13	V	45	Very low	43.2	Very low	97 Å²	97	101.9 Å²	101.9	59%	0.588	58%	0.581	S	S	*	*	H	α-helix	trans	-72.1	-40.1	179.4	-179.1	0	0	0	0	110.9	F9 L10 S15 H16 G17	F9-V13 PolarHBondContact O-N 3.24Å; L10-V13 PolarHBondContact O-N 3.43Å; V13-S15 VanDerWaalsContact C-N 3.33Å; V13-S15 PolarHBondContact O-N 3.18Å; V13-H16 PolarHBondContact O-N 3.49Å; V13-G17 PolarHBondContact O-N 3.02Å
14	L	44.6	Very low	42.5	Very low	105 Å²	105	101.7 Å²	101.7	55%	0.55	58%	0.584	S	S	.	*	H	α-helix	trans	-67	-33	174.7	-72.2	169	0	0	0	112.1	L10 H16 G17 S18	L10-L14 WeakPolarHBondContact O-CB 3.34Å; L10-L14 WeakPolarHBondContact O-CG 3.26Å; L10-L14 PolarHBondContact O-N 3.02Å; L14-H16 VanDerWaalsContact C-N 3.28Å; L14-H16 PolarHBondContact O-N 3.42Å; L14-G17 PolarHBondContact O-N 2.85Å; L14-S18 WeakPolarHBondContact O-CB 3.32Å; L14-S18 PolarHBondContact O-N 3.41Å; L14-S18 PolarHBondContact O-OG 3.5Å
15	S	47.7	Very low	41.7	Very low	65 Å²	65	100.6 Å²	100.6	46%	0.455	59%	0.586	S	S	.	*	H	α-helix	trans	-64.6	-30.5	175.6	75.9	0	0	0	0	113.5	L11 S12 V13	L11-S15 VanDerWaalsContact O-CB 3.28Å; L11-S15 WeakPolarHBondContact O-CB 3.44Å; L11-S15 PolarHBondContact O-N 3.01Å; L11-S15 PolarHBondContact O-OG 2.93Å; S12-S15 PolarHBondContact O-N 2.91Å; S12-S15 PolarHBondContact O-OG 2.98Å; V13-S15 VanDerWaalsContact C-N 3.33Å; V13-S15 PolarHBondContact O-N 3.18Å
16	H	40.3	Very low	41.4	Very low	157 Å²	157	96.3 Å²	96.3	73%	0.727	57%	0.567	S	S	*	*	H	α-helix	trans	-78.4	-36.2	175.1	-86.1	60.3	0	0	0	112.2	S12 V13 L14	S12-H16 PolarHBondContact O-N 3.13Å; V13-H16 PolarHBondContact O-N 3.49Å; L14-H16 VanDerWaalsContact C-N 3.28Å; L14-H16 PolarHBondContact O-N 3.42Å
17	G	37.8	Very low	41	Very low	52 Å²	52	103.2 Å²	103.2	54%	0.536	58%	0.582	S	S	.	*	H	α-helix	trans	-72	-36.5	176.5	0	0	0	0	0	113.9	V13 L14	V13-G17 PolarHBondContact O-N 3.02Å; L14-G17 PolarHBondContact O-N 2.85Å
18	S	37.6	Very low	40.8	Very low	61 Å²	61	106 Å²	106	43%	0.427	59%	0.594	S	S	.	*	H	α-helix	trans	-80.1	-15	-176.6	-55.2	0	0	0	0	114.3	L14 I20 A21	L14-S18 WeakPolarHBondContact O-CB 3.32Å; L14-S18 PolarHBondContact O-N 3.41Å; L14-S18 PolarHBondContact O-OG 3.5Å; S18-I20 VanDerWaalsContact C-N 3.26Å; S18-I20 PolarHBondContact O-N 3.43Å; S18-A21 PolarHBondContact O-N 3.19Å
19	Y	35.4	Very low	40.8	Very low	196 Å²	196	104.8 Å²	104.8	77%	0.769	58%	0.579	S	S	*	*	H	α-helix	trans	-70.2	-24	-179.6	-141.8	-92.1	0	0	0	112.9
20	I	35.3	Very low	41.2	Very low	146 Å²	146	102.9 Å²	102.9	75%	0.749	57%	0.573	S	S	*	*	H	α-helix	trans	-80.4	-29.1	179.9	-58.2	-179.9	0	0	0	111.4	S18	S18-I20 VanDerWaalsContact C-N 3.26Å; S18-I20 PolarHBondContact O-N 3.43Å
21	A	33.4	Very low	42	Very low	77 Å²	77	100.4 Å²	100.4	64%	0.636	56%	0.56	S	S	*	*	H	α-helix	trans	-87.4	-23	-173.2	0	0	0	0	0	115	S18	S18-A21 PolarHBondContact O-N 3.19Å
22	M	32.9	Very low	42.9	Very low	148 Å²	148	95.9 Å²	95.9	73%	0.729	54%	0.535	S	S	*	.	S	Bend	trans	-90.2	-2.2	178.6	-68.8	-167	-169.2	0	0	114.3	S24	M22-S24 VanDerWaalsContact C-N 3.3Å; M22-S24 PolarHBondContact O-N 3.07Å
23	A	35.2	Very low	43.8	Very low	49 Å²	49	95.6 Å²	95.6	41%	0.405	53%	0.527	S	S	.	.	S	Bend	trans	-70	-24.4	-178.8	0	0	0	0	0	113.2	W27	A23-W27 PolarHBondContact O-NE1 2.91Å; A23-W27 VanDerWaalsContact O-NE1 3.1Å
24	S	31.4	Very low	45	Very low	108 Å²	108	98.7 Å²	98.7	76%	0.755	53%	0.533	S	S	*	.	S	Bend	trans	-80.7	-25.5	-170.5	62	0	0	0	0	115.2	M22	M22-S24 VanDerWaalsContact C-N 3.3Å; M22-S24 PolarHBondContact O-N 3.07Å
25	S	35.2	Very low	46.3	Very low	91 Å²	91	99.2 Å²	99.2	64%	0.636	53%	0.532	S	S	*	.	S	Bend	trans	-97.7	-2.9	178	61.4	0	0	0	0	114
26	S	40.3	Very low	47.8	Very low	41 Å²	41	96.7 Å²	96.7	29%	0.287	51%	0.514	S	S	.	.	S	Bend	trans	-83.2	-14.4	-176	171.7	0	0	0	0	114.3	Q30	S26-Q30 WeakPolarHBondContact O-CG 3.35Å; S26-Q30 PolarHBondContact O-N 3.42Å; S26-Q30 PolarHBondContact OG-NE2 2.77Å
27	W	37.2	Very low	49.7	Very low	199 Å²	199	92.5 Å²	92.5	75%	0.754	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-33.3	-163.8	-75.2	37.8	0	0	0	112.9	A23	A23-W27 PolarHBondContact O-NE1 2.91Å; A23-W27 VanDerWaalsContact O-NE1 3.1Å
28	D	46.7	Very low	52	Low	134 Å²	134	92.2 Å²	92.2	72%	0.717	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-27.8	-177.7	-75.5	-21.6	0	0	0	114.1
29	D	51.7	Low	54.4	Low	33 Å²	33	90.9 Å²	90.9	18%	0.176	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-10	178.4	-77.1	-43.9	0	0	0	112.9	D31 S255 R258 F262	D29-D31 VanDerWaalsContact C-N 3.28Å; D29-D31 PolarHBondContact O-N 2.86Å; D29-S255 PolarHBondContact OD1-OG 3.22Å; D29-R258 IonicContact OD2-CZ 3.89Å; D29-R258 IonicContact OD2-NE 3.91Å; D29-R258 IonicContact OD2-NH2 2.98Å; D29-R258 PolarHBondContact OD2-NH2 3.11Å; D29-F262 HydrophobicContact CB-CE2 4.45Å; D29-F262 HydrophobicContact CB-CZ 4.19Å
30	Q	52.2	Low	57.1	Low	118 Å²	118	87.4 Å²	87.4	55%	0.551	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-13.5	-177.4	-96.6	-172.1	17.5	0	0	115	S26	S26-Q30 WeakPolarHBondContact O-CG 3.35Å; S26-Q30 PolarHBondContact O-N 3.42Å; S26-Q30 PolarHBondContact OG-NE2 2.77Å
31	D	62.7	Low	59.7	Low	60 Å²	60	81.4 Å²	81.4	32%	0.321	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	0.6	-170.4	-116.8	23.5	0	0	0	114.4	D29 F33 K34 H35	D29-D31 VanDerWaalsContact C-N 3.28Å; D29-D31 PolarHBondContact O-N 2.86Å; D31-F33 PolarHBondContact O-N 2.78Å; D31-K34 PolarHBondContact O-N 3.01Å; D31-K34 WeakPolarHBondContact OD1-CD 3.49Å; D31-K34 IonicContact OD1-NZ 2.72Å; D31-K34 PolarHBondContact OD1-NZ 2.8Å; D31-H35 PolarHBondContact O-N 3.2Å; D31-H35 PolarHBondContact O-ND1 2.82Å; D31-H35 IonicContact OD2-CE1 2.72Å; D31-H35 PolarHBondContact OD2-CE1 3.14Å; D31-H35 IonicContact OD2-ND1 3.36Å
32	F	70.4	Confident	62.4	Low	23 Å²	23	79.2 Å²	79.2	10%	0.101	42%	0.417	C	S	.	.	H	α-helix	trans	-58	-47.3	-179.2	-178	-94.5	0	0	0	112.7	K34 H35 C36 F50 A253 F254	F32-K34 VanDerWaalsContact C-N 3.3Å; F32-K34 PolarHBondContact O-N 2.87Å; F32-H35 PolarHBondContact O-N 3.01Å; F32-C36 HydrophobicContact CD1-CB 4.28Å; F32-C36 HydrophobicContact CE1-CB 3.89Å; F32-C36 HydrophobicContact CE2-CB 4.14Å; F32-C36 HydrophobicContact CZ-CB 3.81Å; F32-C36 WeakPolarHBondContact O-CA 3.39Å; F32-C36 VanDerWaalsContact O-CB 3.28Å; F32-C36 WeakPolarHBondContact O-CB 3.41Å; F32-C36 PolarHBondContact O-N 3.09Å; F32-F50 HydrophobicContact CE1-CB 4.04Å; F32-F50 HydrophobicContact CE1-CG 4.36Å; F32-F50 HydrophobicContact CZ-CB 3.93Å; F32-F50 AromaticContact CZ-CD2 3.88Å; F32-F50 HydrophobicContact CZ-CD2 3.88Å; F32-F50 AromaticContact CZ-CG 3.9Å; F32-F50 HydrophobicContact CZ-CG 3.9Å; F32-A253 HydrophobicContact CB-CB 4.3Å; F32-A253 HydrophobicContact CD1-CB 3.58Å; F32-A253 HydrophobicContact CE1-CB 4.03Å; F32-A253 HydrophobicContact CG-CB 3.9Å; F32-F254 VanDerWaalsContact CD2-O 3.24Å; F32-F254 WeakPolarHBondContact CD2-O 3.47Å; F32-F254 HydrophobicContact CE2-CB 4.1Å
33	F	66.7	Low	64.9	Low	47 Å²	47	80.7 Å²	80.7	21%	0.206	42%	0.419	C	S	.	.	H	α-helix	trans	-73.3	-19.9	-179.6	-76.7	-62.4	0	0	0	114.2	D31 P37 R251 M264	D31-F33 PolarHBondContact O-N 2.78Å; F33-P37 WeakPolarHBondContact O-CA 3.41Å; F33-R251 HydrophobicContact CE1-CB 4.4Å; F33-R251 HydrophobicContact CE2-CB 3.93Å; F33-R251 HydrophobicContact CZ-CB 3.43Å; F33-R251 VanDerWaalsContact CZ-CB 3.43Å; F33-R251 HydrophobicContact CZ-CG 4.2Å; F33-M264 HydrophobicContact CD2-CE 4.18Å; F33-M264 HydrophobicContact CD2-SD 3.59Å; F33-M264 VanDerWaalsContact CD2-SD 3.59Å; F33-M264 HydrophobicContact CE2-CB 4.07Å; F33-M264 HydrophobicContact CE2-CG 4.29Å; F33-M264 HydrophobicContact CE2-SD 3.52Å; F33-M264 VanDerWaalsContact CE2-SD 3.52Å
34	K	69.4	Low	67.3	Low	163 Å²	163	86.6 Å²	86.6	71%	0.709	44%	0.438	S	S	*	.	H	α-helix	trans	-72	-40.8	170.3	-95.3	165.3	166.3	-175.2	0	110.8	D31 F32	D31-K34 PolarHBondContact O-N 3.01Å; D31-K34 WeakPolarHBondContact OD1-CD 3.49Å; D31-K34 IonicContact OD1-NZ 2.72Å; D31-K34 PolarHBondContact OD1-NZ 2.8Å; F32-K34 VanDerWaalsContact C-N 3.3Å; F32-K34 PolarHBondContact O-N 2.87Å
35	H	73.7	Confident	70	Confident	115 Å²	115	81.9 Å²	81.9	53%	0.532	41%	0.407	S	S	.	.	H	α-helix	trans	-81.6	-29	178.5	-66.9	97.2	0	0	0	113.6	D31 F32 P37	D31-H35 PolarHBondContact O-N 3.2Å; D31-H35 PolarHBondContact O-ND1 2.82Å; D31-H35 IonicContact OD2-CE1 2.72Å; D31-H35 PolarHBondContact OD2-CE1 3.14Å; D31-H35 IonicContact OD2-ND1 3.36Å; F32-H35 PolarHBondContact O-N 3.01Å; H35-P37 VanDerWaalsContact C-CD 3.44Å
36	C	78	Confident	72.7	Confident	12 Å²	12	78.5 Å²	78.5	8%	0.081	38%	0.382	C	S	.	.	S	Bend	trans	-128.5	62.2	-176.1	-56.1	0	0	0	0	111.4	F32 C63	F32-C36 HydrophobicContact CD1-CB 4.28Å; F32-C36 HydrophobicContact CE1-CB 3.89Å; F32-C36 HydrophobicContact CE2-CB 4.14Å; F32-C36 HydrophobicContact CZ-CB 3.81Å; F32-C36 WeakPolarHBondContact O-CA 3.39Å; F32-C36 VanDerWaalsContact O-CB 3.28Å; F32-C36 WeakPolarHBondContact O-CB 3.41Å; F32-C36 PolarHBondContact O-N 3.09Å; C36-C63 WeakPolarHBondContact CA-SG 3.41Å; C36-C63 HydrophobicContact CB-CB 3.59Å; C36-C63 WeakPolarHBondContact CB-SG 3.46Å; C36-C63 WeakPolarHBondContact SG-CA 3.45Å; C36-C63 WeakPolarHBondContact SG-CB 3.31Å; C36-C63 CovalentContact SG-SG 2.03Å; C36-C63 PolarHBondContact SG-SG 2.81Å
37	P	81	Confident	75.1	Confident	70 Å²	70	78.8 Å²	78.8	46%	0.455	38%	0.379	S	S	.	.			trans	-68.4	149.7	-179.8	29.1	-35.3	0	0	0	111.7	F33 H35 S39	F33-P37 WeakPolarHBondContact O-CA 3.41Å; H35-P37 VanDerWaalsContact C-CD 3.44Å; P37-S39 PolarHBondContact O-N 3.43Å
38	P	86	Confident	77.5	Confident	45 Å²	45	69.5 Å²	69.5	29%	0.292	34%	0.344	S	S	.	.			trans	-57.5	139.5	170.4	-21.2	32.2	0	0	0	111.5	E47 I48 R49	P38-E47 HydrophobicContact CB-CG 3.78Å; P38-I48 WeakPolarHBondContact CA-O 3.45Å; P38-R49 HydrophobicContact CB-CB 4.14Å; P38-R49 HydrophobicContact CG-CB 4.32Å
39	S	87.9	Confident	79.5	Confident	33 Å²	33	64.5 Å²	64.5	23%	0.231	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-118.9	154.4	-178.1	-61.4	0	0	0	0	111.1	P37 I48	P37-S39 PolarHBondContact O-N 3.43Å; S39-I48 PolarHBondContact N-O 3.2Å; S39-I48 PolarHBondContact O-N 2.97Å
40	R	91	Very high	81.1	Confident	124 Å²	124	63.5 Å²	63.5	47%	0.468	31%	0.309	S	S	.	.			trans	-144.6	141.2	173.2	-68.5	-179.2	-178.5	-123.6	9.5	109.4	S42 G45 E47	R40-S42 VanDerWaalsContact C-N 3.33Å; R40-S42 WeakPolarHBondContact CB-O 3.46Å; R40-G45 PolarHBondContact NH1-O 3.35Å; R40-E47 HydrophobicContact CG-CB 4.43Å; R40-E47 IonicContact CZ-OE2 3.45Å; R40-E47 IonicContact NE-OE2 3.63Å; R40-E47 PolarHBondContact NE-OE2 3.42Å; R40-E47 IonicContact NH2-OE2 3.64Å; R40-E47 PolarHBondContact NH2-OE2 3.4Å
41	C	90.4	Very high	82.6	Confident	20 Å²	20	58.3 Å²	58.3	14%	0.135	29%	0.286	C	S	.	.	S	Bend	trans	-77.9	-20.1	172.5	-59.1	0	0	0	0	112.9	C72 T77	C41-C72 WeakPolarHBondContact CA-SG 3.29Å; C41-C72 HydrophobicContact CB-CB 3.7Å; C41-C72 WeakPolarHBondContact CB-SG 3.31Å; C41-C72 WeakPolarHBondContact SG-CA 3.36Å; C41-C72 WeakPolarHBondContact SG-CB 3.39Å; C41-C72 CovalentContact SG-SG 2.03Å; C41-C72 PolarHBondContact SG-SG 2.98Å; C41-T77 PolarHBondContact SG-OG1 3.21Å; C41-T77 VanDerWaalsContact SG-OG1 3.32Å
42	S	89.6	Confident	83.8	Confident	30 Å²	30	56 Å²	56	21%	0.21	27%	0.273	C	S	.	.	S	Bend	trans	-154.6	161.8	176.7	59.9	0	0	0	0	111	R40 H44 G45 Q75	R40-S42 VanDerWaalsContact C-N 3.33Å; R40-S42 WeakPolarHBondContact CB-O 3.46Å; S42-H44 PolarHBondContact O-N 3.46Å; S42-G45 PolarHBondContact O-N 2.86Å; S42-G45 VanDerWaalsContact O-N 3.08Å; S42-G45 WeakPolarHBondContact OG-CA 3.39Å; S42-G45 PolarHBondContact OG-N 3.26Å; S42-G45 VanDerWaalsContact OG-N 3.09Å; S42-Q75 WeakPolarHBondContact CB-O 3.47Å; S42-Q75 PolarHBondContact OG-O 3.14Å
43	K	86.1	Confident	84.4	Confident	179 Å²	179	58.1 Å²	58.1	78%	0.778	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-35.3	179.8	-173.2	179.6	-180	-177.9	0	112.8
44	H	85.9	Confident	85.3	Confident	174 Å²	174	57 Å²	57	81%	0.806	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-1	-179.5	-58.7	-67.1	0	0	0	113.4	S42	S42-H44 PolarHBondContact O-N 3.46Å
45	G	87.1	Confident	85.7	Confident	9 Å²	9	54.3 Å²	54.3	9%	0.093	27%	0.266	C	S	.	.	S	Bend	trans	-74.6	165.7	178.3	0	0	0	0	0	113.1	R40 S42	R40-G45 PolarHBondContact NH1-O 3.35Å; S42-G45 PolarHBondContact O-N 2.86Å; S42-G45 VanDerWaalsContact O-N 3.08Å; S42-G45 WeakPolarHBondContact OG-CA 3.39Å; S42-G45 PolarHBondContact OG-N 3.26Å; S42-G45 VanDerWaalsContact OG-N 3.09Å
46	P	91.7	Very high	85.5	Confident	19 Å²	19	51.6 Å²	51.6	12%	0.123	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-61.8	142.2	177.4	27.1	-34.1	0	0	0	110.9	T77 V89 I92	P46-T77 HydrophobicContact CG-CG2 4.48Å; P46-V89 HydrophobicContact CG-CG1 4.22Å; P46-I92 HydrophobicContact CB-CD1 4.31Å; P46-I92 HydrophobicContact CB-CG1 4.14Å
47	E	91.1	Very high	84.4	Confident	48 Å²	48	56.5 Å²	56.5	22%	0.224	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-73.8	126.1	171.2	-166.3	164.6	102.6	0	0	110.1	P38 R40 R49 Y94 R251	P38-E47 HydrophobicContact CB-CG 3.78Å; R40-E47 HydrophobicContact CG-CB 4.43Å; R40-E47 IonicContact CZ-OE2 3.45Å; R40-E47 IonicContact NE-OE2 3.63Å; R40-E47 PolarHBondContact NE-OE2 3.42Å; R40-E47 IonicContact NH2-OE2 3.64Å; R40-E47 PolarHBondContact NH2-OE2 3.4Å; E47-R49 WeakPolarHBondContact OE1-CD 3.42Å; E47-R49 IonicContact OE1-NE 2.79Å; E47-Y94 WeakPolarHBondContact O-CE2 3.45Å; E47-Y94 PolarHBondContact O-OH 3.29Å; E47-R251 IonicContact OE1-NH2 3.48Å
48	I	89.1	Confident	83.6	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.015	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-107.1	113.7	178.3	-52.7	166.5	0	0	0	107.9	P38 S39 H52 L54 L70 T77 I92	P38-I48 WeakPolarHBondContact CA-O 3.45Å; S39-I48 PolarHBondContact N-O 3.2Å; S39-I48 PolarHBondContact O-N 2.97Å; I48-H52 HydrophobicContact CG2-CB 4.23Å; I48-L54 HydrophobicContact CD1-CB 4.24Å; I48-L54 HydrophobicContact CD1-CD1 3.78Å; I48-L54 HydrophobicContact CG2-CB 4.28Å; I48-L70 HydrophobicContact CD1-CD1 4.38Å; I48-L70 HydrophobicContact CG1-CD1 4.32Å; I48-L70 HydrophobicContact CG2-CD1 3.73Å; I48-T77 HydrophobicContact CD1-CG2 3.57Å; I48-T77 HydrophobicContact CG1-CG2 4.33Å; I48-I92 HydrophobicContact CG1-CD1 4.32Å
49	R	87.7	Confident	82.5	Confident	30 Å²	30	59.2 Å²	59.2	11%	0.113	30%	0.304	C	S	.	.			trans	-147.3	168.8	177.2	59.3	-176.6	177.9	128.2	-0.1	110.5	P38 E47 H52 Y94 E246	P38-R49 HydrophobicContact CB-CB 4.14Å; P38-R49 HydrophobicContact CG-CB 4.32Å; E47-R49 WeakPolarHBondContact OE1-CD 3.42Å; E47-R49 IonicContact OE1-NE 2.79Å; R49-H52 CarbonylContact C-O 3.45Å; R49-H52 CarbonylContact O-C 3.55Å; R49-H52 WeakPolarHBondContact O-CA 3.31Å; R49-H52 PolarHBondContact O-N 2.92Å; R49-Y94 HydrophobicContact CG-CE1 3.81Å; R49-Y94 HydrophobicContact CG-CE2 3.88Å; R49-Y94 VanDerWaalsContact CG-CZ 3.45Å; R49-Y94 WeakPolarHBondContact CG-OH 3.43Å; R49-Y94 PolarHBondContact N-OH 2.92Å; R49-Y94 WeakPolarHBondContact O-CE1 3.48Å; R49-Y94 PolarHBondContact O-OH 3.25Å; R49-E246 IonicContact CZ-OE1 2.83Å; R49-E246 IonicContact CZ-OE2 2.78Å; R49-E246 IonicContact NH1-OE1 3.93Å; R49-E246 PolarHBondContact NH1-OE1 3.44Å; R49-E246 IonicContact NH1-OE2 3.43Å; R49-E246 IonicContact NH2-OE1 2.72Å; R49-E246 PolarHBondContact NH2-OE1 2.95Å; R49-E246 IonicContact NH2-OE2 3.59Å; R49-E246 PolarHBondContact NH2-OE2 3.34Å
50	F	85.4	Confident	81.6	Confident	11 Å²	11	60.2 Å²	60.2	5%	0.048	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.4	133.6	178	-171.8	-92.5	0	0	0	111.4	F32 H52 I238 C242 C252 F254 T261	F32-F50 HydrophobicContact CE1-CB 4.04Å; F32-F50 HydrophobicContact CE1-CG 4.36Å; F32-F50 HydrophobicContact CZ-CB 3.93Å; F32-F50 AromaticContact CZ-CD2 3.88Å; F32-F50 HydrophobicContact CZ-CD2 3.88Å; F32-F50 AromaticContact CZ-CG 3.9Å; F32-F50 HydrophobicContact CZ-CG 3.9Å; F50-H52 PolarHBondContact N-O 3.21Å; F50-I238 HydrophobicContact CE1-CG2 4.02Å; F50-I238 HydrophobicContact CZ-CG2 3.75Å; F50-C242 WeakPolarHBondContact CE1-SG 3.11Å; F50-C252 HydrophobicContact CD1-CB 4.2Å; F50-F254 HydrophobicContact CD2-CB 4.41Å; F50-F254 HydrophobicContact CE1-CB 4.14Å; F50-F254 HydrophobicContact CE2-CB 3.7Å; F50-F254 HydrophobicContact CE2-CG 4.34Å; F50-F254 HydrophobicContact CZ-CB 3.56Å; F50-F254 HydrophobicContact CZ-CD2 4.2Å; F50-F254 HydrophobicContact CZ-CG 4.17Å; F50-T261 HydrophobicContact CE1-CG2 4Å; F50-T261 HydrophobicContact CZ-CG2 4.17Å
51	P	84.3	Confident	80.4	Confident	9 Å²	9	59.1 Å²	59.1	6%	0.058	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	cis	-82.1	-2	11	34.2	-37.1	0	0	0	115.4	G64 S65 S66 I238	P51-G64 CarbonylContact O-C 3.47Å; P51-G64 WeakPolarHBondContact O-CA 3.25Å; P51-S65 PolarHBondContact O-N 3.28Å; P51-S66 PolarHBondContact O-N 3.17Å; P51-S66 PolarHBondContact O-OG 3.46Å; P51-I238 HydrophobicContact CB-CG2 3.81Å
52	H	87.5	Confident	79.3	Confident	13 Å²	13	60.3 Å²	60.3	6%	0.06	33%	0.33	C	S	.	.	S	Bend	trans	-87.7	153.9	175.9	-55.3	-54.1	0	0	0	111.9	I48 R49 F50 S66 L70 Y94 L233	I48-H52 HydrophobicContact CG2-CB 4.23Å; R49-H52 CarbonylContact C-O 3.45Å; R49-H52 CarbonylContact O-C 3.55Å; R49-H52 WeakPolarHBondContact O-CA 3.31Å; R49-H52 PolarHBondContact O-N 2.92Å; F50-H52 PolarHBondContact N-O 3.21Å; H52-S66 WeakPolarHBondContact CA-OG 3.49Å; H52-S66 VanDerWaalsContact ND1-CB 3.28Å; H52-S66 WeakPolarHBondContact ND1-CB 3.42Å; H52-S66 PolarHBondContact ND1-OG 3.36Å; H52-L70 HydrophobicContact CB-CD1 4.02Å; H52-Y94 AromaticContact CD2-CE1 3.91Å; H52-L233 WeakPolarHBondContact CE1-CD1 3.45Å; H52-L233 VanDerWaalsContact NE2-CD1 3.32Å; H52-L233 WeakPolarHBondContact NE2-CD1 3.37Å
53	R	83.8	Confident	78.6	Confident	66 Å²	66	59.2 Å²	59.2	25%	0.249	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	138	177.9	-179.2	174.4	77.2	103.7	-9	110.5	T59 P60 C63	R53-T59 PolarHBondContact NH1-O 3.11Å; R53-T59 PolarHBondContact NH1-OG1 3.47Å; R53-P60 WeakPolarHBondContact CD-O 3.2Å; R53-C63 HydrophobicContact CG-CB 4.5Å
54	L	84.5	Confident	77.9	Confident	25 Å²	25	51.6 Å²	51.6	13%	0.131	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	120.5	165.3	-174.5	71.5	0	0	0	108.5	I48 S56 T59 C72	I48-L54 HydrophobicContact CD1-CB 4.24Å; I48-L54 HydrophobicContact CD1-CD1 3.78Å; I48-L54 HydrophobicContact CG2-CB 4.28Å; L54-S56 PolarHBondContact O-N 2.74Å; L54-S56 VanDerWaalsContact O-N 3.09Å; L54-T59 PolarHBondContact O-OG1 3.14Å; L54-T59 VanDerWaalsContact O-OG1 3.1Å; L54-C72 VanDerWaalsContact CD1-SG 3.55Å; L54-C72 VanDerWaalsContact CD2-SG 3.59Å
55	Q	77.6	Confident	77.1	Confident	105 Å²	105	45.9 Å²	45.9	49%	0.491	27%	0.274	S	S	.	.			trans	-69.8	106.4	177.9	-172.4	171	6.6	0	0	108.8	L70 I71	Q55-L70 WeakPolarHBondContact CB-O 3.32Å; Q55-L70 PolarHBondContact N-O 3.38Å; Q55-I71 HydrophobicContact CB-CG2 4.07Å
56	S	69.4	Low	75.9	Confident	58 Å²	58	46.9 Å²	46.9	41%	0.406	28%	0.28	S	S	.	.			trans	-137.4	155.6	177.1	174.1	0	0	0	0	108.1	L54 N58	L54-S56 PolarHBondContact O-N 2.74Å; L54-S56 VanDerWaalsContact O-N 3.09Å; S56-N58 PolarHBondContact O-N 2.97Å; S56-N58 VanDerWaalsContact O-N 3.15Å
57	S	55.8	Low	74.6	Confident	115 Å²	115	51.4 Å²	51.4	80%	0.804	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.1	177	54.4	0	0	0	0	113.2
58	N	63.3	Low	73.8	Confident	137 Å²	137	49.5 Å²	49.5	73%	0.733	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	1.2	-168	-62.6	2.4	0	0	0	114.3	S56	S56-N58 PolarHBondContact O-N 2.97Å; S56-N58 VanDerWaalsContact O-N 3.15Å
59	T	63.9	Low	73.3	Confident	35 Å²	35	55.3 Å²	55.3	22%	0.215	32%	0.317	C	S	.	.	S	Bend	trans	-99.9	121.3	179.6	50.2	0	0	0	0	111.2	R53 L54	R53-T59 PolarHBondContact NH1-O 3.11Å; R53-T59 PolarHBondContact NH1-OG1 3.47Å; L54-T59 PolarHBondContact O-OG1 3.14Å; L54-T59 VanDerWaalsContact O-OG1 3.1Å
60	P	67.5	Low	73.3	Confident	55 Å²	55	53.9 Å²	53.9	36%	0.357	31%	0.311	S	S	.	.			trans	-53.2	147.2	174.5	-27.3	33.1	0	0	0	112.7	R53 S62 C63	R53-P60 WeakPolarHBondContact CD-O 3.2Å; P60-S62 WeakPolarHBondContact CB-OG 3.43Å; P60-S62 PolarHBondContact O-N 3.34Å; P60-C63 WeakPolarHBondContact O-CB 3.32Å; P60-C63 PolarHBondContact O-N 2.92Å
61	S	66.9	Low	73.5	Confident	101 Å²	101	55.6 Å²	55.6	71%	0.706	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-59.5	-29	173.9	52.1	0	0	0	0	112.2	C63 G64	S61-C63 PolarHBondContact O-N 3.3Å; S61-G64 PolarHBondContact O-N 2.82Å; S61-G64 VanDerWaalsContact O-O 3.06Å
62	S	68.2	Low	73.8	Confident	45 Å²	45	57.8 Å²	57.8	32%	0.315	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-63.4	-17.5	174.9	53.3	0	0	0	0	114.4	P60 G64	P60-S62 WeakPolarHBondContact CB-OG 3.43Å; P60-S62 PolarHBondContact O-N 3.34Å; S62-G64 VanDerWaalsContact C-N 3.26Å; S62-G64 PolarHBondContact O-N 3.3Å
63	C	74	Confident	73.8	Confident	7 Å²	7	60.9 Å²	60.9	5%	0.047	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-78.7	-2.4	-179.2	-62.3	0	0	0	0	114.6	C36 R53 P60 S61	C36-C63 WeakPolarHBondContact CA-SG 3.41Å; C36-C63 HydrophobicContact CB-CB 3.59Å; C36-C63 WeakPolarHBondContact CB-SG 3.46Å; C36-C63 WeakPolarHBondContact SG-CA 3.45Å; C36-C63 WeakPolarHBondContact SG-CB 3.31Å; C36-C63 CovalentContact SG-SG 2.03Å; C36-C63 PolarHBondContact SG-SG 2.81Å; R53-C63 HydrophobicContact CG-CB 4.5Å; P60-C63 WeakPolarHBondContact O-CB 3.32Å; P60-C63 PolarHBondContact O-N 2.92Å; S61-C63 PolarHBondContact O-N 3.3Å
64	G	71.8	Confident	74	Confident	19 Å²	19	61 Å²	61	20%	0.196	38%	0.381	C	S	.	.			trans	-156.8	136.6	174.9	0	0	0	0	0	111.9	P51 S61 S62	P51-G64 CarbonylContact O-C 3.47Å; P51-G64 WeakPolarHBondContact O-CA 3.25Å; S61-G64 PolarHBondContact O-N 2.82Å; S61-G64 VanDerWaalsContact O-O 3.06Å; S62-G64 VanDerWaalsContact C-N 3.26Å; S62-G64 PolarHBondContact O-N 3.3Å
65	S	68.4	Low	74.3	Confident	54 Å²	54	67 Å²	67	38%	0.378	41%	0.408	S	S	.	.			trans	-102.1	-16.1	174.1	175.1	0	0	0	0	112.4	P51 I238	P51-S65 PolarHBondContact O-N 3.28Å; S65-I238 WeakPolarHBondContact OG-CD1 3.46Å
66	S	61.2	Low	74.9	Confident	29 Å²	29	64.5 Å²	64.5	20%	0.203	40%	0.398	C	S	.	.			trans	-72.8	135.2	-176.6	76.8	0	0	0	0	110.9	P51 H52 A68	P51-S66 PolarHBondContact O-N 3.17Å; P51-S66 PolarHBondContact O-OG 3.46Å; H52-S66 WeakPolarHBondContact CA-OG 3.49Å; H52-S66 VanDerWaalsContact ND1-CB 3.28Å; H52-S66 WeakPolarHBondContact ND1-CB 3.42Å; H52-S66 PolarHBondContact ND1-OG 3.36Å; S66-A68 PolarHBondContact O-N 3.02Å
67	H	66.3	Low	76	Confident	115 Å²	115	61.9 Å²	61.9	53%	0.532	38%	0.379	S	S	.	.			trans	-65.9	-1.7	169.7	-57.9	-77.4	0	0	0	113.6	K69 N129 L131	H67-K69 PolarHBondContact O-N 2.7Å; H67-N129 PolarHBondContact CE1-OD1 3.25Å; H67-N129 PolarHBondContact NE2-OD1 3.5Å; H67-L131 HydrophobicContact CB-CD1 3.79Å
68	A	73	Confident	77.7	Confident	8 Å²	8	56.6 Å²	56.6	7%	0.066	34%	0.342	C	S	.	.			trans	-68.4	108.6	176.5	0	0	0	0	0	110.5	S66 L70 L79 L131	S66-A68 PolarHBondContact O-N 3.02Å; A68-L70 PolarHBondContact O-N 2.97Å; A68-L79 HydrophobicContact CB-CD1 3.76Å; A68-L131 HydrophobicContact CB-CD1 4.02Å; A68-L131 HydrophobicContact CB-CD2 3.93Å; A68-L131 VanDerWaalsContact N-CD1 3.3Å
69	K	78	Confident	79	Confident	124 Å²	124	50.3 Å²	50.3	54%	0.539	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	96.2	174.4	-68.3	-178.6	-177.1	178.6	0	109.8	H67 H80	H67-K69 PolarHBondContact O-N 2.7Å; K69-H80 HydrophobicContact CB-CB 4.11Å; K69-H80 PolarHBondContact O-N 3.08Å
70	L	89.2	Confident	79.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.1	176.5	-60.5	174.5	0	0	0	110.2	I48 H52 Q55 A68 T77 I78 L79 V89 I92 M99	I48-L70 HydrophobicContact CD1-CD1 4.38Å; I48-L70 HydrophobicContact CG1-CD1 4.32Å; I48-L70 HydrophobicContact CG2-CD1 3.73Å; H52-L70 HydrophobicContact CB-CD1 4.02Å; Q55-L70 WeakPolarHBondContact CB-O 3.32Å; Q55-L70 PolarHBondContact N-O 3.38Å; A68-L70 PolarHBondContact O-N 2.97Å; L70-T77 HydrophobicContact CD2-CG2 4.28Å; L70-I78 CarbonylContact C-O 3.49Å; L70-I78 VanDerWaalsContact CA-O 3.32Å; L70-I78 WeakPolarHBondContact CA-O 3.36Å; L70-L79 HydrophobicContact CD2-CB 3.92Å; L70-L79 HydrophobicContact CD2-CD1 3.88Å; L70-V89 HydrophobicContact CD2-CG2 3.75Å; L70-I92 HydrophobicContact CD1-CD1 4.44Å; L70-M99 HydrophobicContact CD1-CE 4.25Å; L70-M99 HydrophobicContact CD2-CE 4.37Å; L70-M99 HydrophobicContact CD2-SD 4.36Å
71	I	89.8	Confident	80.6	Confident	47 Å²	47	50.7 Å²	50.7	24%	0.241	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	164.4	172.9	62.8	162.3	0	0	0	110.4	Q55 I78 H80	Q55-I71 HydrophobicContact CB-CG2 4.07Å; I71-I78 HydrophobicContact CG1-CB 3.93Å; I71-I78 PolarHBondContact N-O 2.74Å; I71-I78 PolarHBondContact O-N 2.9Å; I71-H80 WeakPolarHBondContact CD1-NE2 3.11Å
72	C	89.7	Confident	80.9	Confident	55 Å²	55	51.7 Å²	51.7	37%	0.372	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.5	168.8	-60.4	0	0	0	0	110	C41 L54 D76	C41-C72 WeakPolarHBondContact CA-SG 3.29Å; C41-C72 HydrophobicContact CB-CB 3.7Å; C41-C72 WeakPolarHBondContact CB-SG 3.31Å; C41-C72 WeakPolarHBondContact SG-CA 3.36Å; C41-C72 WeakPolarHBondContact SG-CB 3.39Å; C41-C72 CovalentContact SG-SG 2.03Å; C41-C72 PolarHBondContact SG-SG 2.98Å; L54-C72 VanDerWaalsContact CD1-SG 3.55Å; L54-C72 VanDerWaalsContact CD2-SG 3.59Å; C72-D76 WeakPolarHBondContact CA-O 3.37Å
73	S	88.7	Confident	81.2	Confident	78 Å²	78	50.4 Å²	50.4	55%	0.545	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	100.6	167	-173.4	0	0	0	0	107.9	Q75 D76	S73-Q75 PolarHBondContact O-N 3.43Å; S73-D76 PolarHBondContact N-O 2.94Å; S73-D76 PolarHBondContact O-N 2.93Å; S73-D76 VanDerWaalsContact O-N 3.07Å
74	G	87.5	Confident	81.3	Confident	70 Å²	70	51 Å²	51	72%	0.722	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	-122.7	-167.5	0	0	0	0	0	111.3
75	Q	89.3	Confident	81.7	Confident	151 Å²	151	51.4 Å²	51.4	71%	0.706	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-7.3	178.7	-65.5	-171.9	-8	0	0	114	S42 S73	S42-Q75 WeakPolarHBondContact CB-O 3.47Å; S42-Q75 PolarHBondContact OG-O 3.14Å; S73-Q75 PolarHBondContact O-N 3.43Å
76	D	90.6	Very high	82.5	Confident	52 Å²	52	51.8 Å²	51.8	28%	0.278	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	139.4	-173.4	-74.3	-20.4	0	0	0	111.9	C72 S73 I78 K88	C72-D76 WeakPolarHBondContact CA-O 3.37Å; S73-D76 PolarHBondContact N-O 2.94Å; S73-D76 PolarHBondContact O-N 2.93Å; S73-D76 VanDerWaalsContact O-N 3.07Å; D76-I78 HydrophobicContact CB-CD1 3.7Å; D76-K88 VanDerWaalsContact CG-CE 3.43Å; D76-K88 WeakPolarHBondContact OD1-CE 3.43Å; D76-K88 IonicContact OD1-NZ 3.52Å; D76-K88 PolarHBondContact OD1-NZ 3.01Å; D76-K88 WeakPolarHBondContact OD2-CE 3.47Å; D76-K88 IonicContact OD2-NZ 3.12Å; D76-K88 PolarHBondContact OD2-NZ 3.32Å
77	T	93.3	Very high	83.8	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	121.8	170.2	-57.1	0	0	0	0	108.9	C41 P46 I48 L70 V89	C41-T77 PolarHBondContact SG-OG1 3.21Å; C41-T77 VanDerWaalsContact SG-OG1 3.32Å; P46-T77 HydrophobicContact CG-CG2 4.48Å; I48-T77 HydrophobicContact CD1-CG2 3.57Å; I48-T77 HydrophobicContact CG1-CG2 4.33Å; L70-T77 HydrophobicContact CD2-CG2 4.28Å; T77-V89 HydrophobicContact CG2-CB 3.94Å; T77-V89 HydrophobicContact CG2-CG2 4.06Å; T77-V89 PolarHBondContact O-N 3.46Å
78	I	91.6	Very high	85	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.026	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.4	-176.4	-47	-44.7	0	0	0	110.1	L70 I71 D76 P86 C87 F104	L70-I78 CarbonylContact C-O 3.49Å; L70-I78 VanDerWaalsContact CA-O 3.32Å; L70-I78 WeakPolarHBondContact CA-O 3.36Å; I71-I78 HydrophobicContact CG1-CB 3.93Å; I71-I78 PolarHBondContact N-O 2.74Å; I71-I78 PolarHBondContact O-N 2.9Å; D76-I78 HydrophobicContact CB-CD1 3.7Å; I78-P86 HydrophobicContact CG2-CB 3.73Å; I78-C87 CarbonylContact C-O 3.53Å; I78-C87 WeakPolarHBondContact CA-O 3.16Å; I78-F104 HydrophobicContact CD1-CE2 3.46Å; I78-F104 VanDerWaalsContact CD1-CE2 3.46Å; I78-F104 HydrophobicContact CD1-CZ 3.54Å; I78-F104 HydrophobicContact CG1-CE2 4.22Å; I78-F104 HydrophobicContact CG2-CE2 4.1Å
79	L	89.4	Confident	86	Confident	5 Å²	5	48 Å²	48	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	122.7	166.3	176.2	66.8	0	0	0	109.3	A68 L70 H81 P86 C87 V89 M99 I101 L231	A68-L79 HydrophobicContact CB-CD1 3.76Å; L70-L79 HydrophobicContact CD2-CB 3.92Å; L70-L79 HydrophobicContact CD2-CD1 3.88Å; L79-H81 PolarHBondContact O-N 3.39Å; L79-H81 VanDerWaalsContact O-N 3.12Å; L79-P86 WeakPolarHBondContact O-CA 3.2Å; L79-C87 HydrophobicContact CB-CB 4.48Å; L79-C87 PolarHBondContact N-O 3.44Å; L79-C87 PolarHBondContact O-N 3.5Å; L79-V89 HydrophobicContact CB-CG2 3.79Å; L79-M99 HydrophobicContact CD2-SD 4.23Å; L79-I101 HydrophobicContact CD2-CD1 4.25Å; L79-I101 HydrophobicContact CD2-CG2 3.98Å; L79-L231 HydrophobicContact CD2-CD1 4.07Å
80	H	84	Confident	86.7	Confident	89 Å²	89	44.4 Å²	44.4	41%	0.412	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	91.1	165.4	-78.3	-81.7	0	0	0	109.7	K69 I71	K69-H80 HydrophobicContact CB-CB 4.11Å; K69-H80 PolarHBondContact O-N 3.08Å; I71-H80 WeakPolarHBondContact CD1-NE2 3.11Å
81	H	82.3	Confident	86.9	Confident	8 Å²	8	46.4 Å²	46.4	4%	0.037	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	129.6	178.9	-169	-65.9	0	0	0	109.8	L79 F83 L84 G85 Y132	L79-H81 PolarHBondContact O-N 3.39Å; L79-H81 VanDerWaalsContact O-N 3.12Å; H81-F83 PolarHBondContact ND1-N 3.29Å; H81-F83 VanDerWaalsContact ND1-N 3.13Å; H81-F83 PolarHBondContact O-N 2.88Å; H81-L84 HydrophobicContact CB-CB 4.02Å; H81-L84 PolarHBondContact ND1-N 3.09Å; H81-G85 VanDerWaalsContact CB-O 3.22Å; H81-G85 WeakPolarHBondContact CB-O 3.42Å; H81-G85 PolarHBondContact N-O 2.98Å; H81-G85 WeakPolarHBondContact O-CA 3.31Å; H81-G85 PolarHBondContact O-N 3.47Å; H81-Y132 AromaticContact CE1-CZ 3.96Å; H81-Y132 PolarHBondContact CE1-OH 3.33Å; H81-Y132 AromaticContact NE2-CE1 3.87Å; H81-Y132 AromaticContact NE2-CZ 3.45Å; H81-Y132 PolarHBondContact NE2-OH 2.91Å
82	P	73.6	Confident	87	Confident	122 Å²	122	45.3 Å²	45.3	79%	0.792	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-36.7	-174.3	21.4	-32.8	0	0	0	112.7
83	F	73.9	Confident	87.1	Confident	19 Å²	19	45.4 Å²	45.4	8%	0.083	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-49.1	179	-177.8	-101.8	0	0	0	114.9	H81 G85 F116 I204 P205	H81-F83 PolarHBondContact ND1-N 3.29Å; H81-F83 VanDerWaalsContact ND1-N 3.13Å; H81-F83 PolarHBondContact O-N 2.88Å; F83-G85 VanDerWaalsContact C-N 3.33Å; F83-G85 PolarHBondContact O-N 3.23Å; F83-F116 AromaticContact CE1-CD1 3.86Å; F83-F116 HydrophobicContact CE1-CD1 3.86Å; F83-F116 AromaticContact CE1-CE1 3.53Å; F83-F116 HydrophobicContact CE1-CE1 3.53Å; F83-F116 HydrophobicContact CE1-CZ 4.46Å; F83-F116 HydrophobicContact CE2-CD1 4.14Å; F83-F116 AromaticContact CZ-CD1 3.18Å; F83-F116 HydrophobicContact CZ-CD1 3.18Å; F83-F116 AromaticContact CZ-CE1 3.39Å; F83-F116 HydrophobicContact CZ-CE1 3.39Å; F83-F116 HydrophobicContact CZ-CG 4.11Å; F83-F116 HydrophobicContact CZ-CZ 4.49Å; F83-I204 HydrophobicContact CE1-CG2 3.93Å; F83-I204 HydrophobicContact CE2-CG2 4.17Å; F83-I204 HydrophobicContact CZ-CG2 3.71Å; F83-P205 HydrophobicContact CB-CG 3.96Å; F83-P205 HydrophobicContact CD1-CG 4.45Å; F83-P205 HydrophobicContact CD2-CG 4.22Å; F83-P205 HydrophobicContact CG-CG 3.9Å
84	L	76.2	Confident	87.1	Confident	20 Å²	20	42.8 Å²	42.8	11%	0.105	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-7.2	-174.8	-59.3	176	0	0	0	114.4	H81 I101 P103 I223 I229	H81-L84 HydrophobicContact CB-CB 4.02Å; H81-L84 PolarHBondContact ND1-N 3.09Å; L84-I101 HydrophobicContact CD1-CD1 4.35Å; L84-P103 HydrophobicContact CD1-CG 4.11Å; L84-I223 HydrophobicContact CD2-CD1 4.3Å; L84-I223 HydrophobicContact CD2-CG1 4.22Å; L84-I223 HydrophobicContact CD2-CG2 3.52Å; L84-I229 HydrophobicContact CD1-CD1 3.97Å
85	G	79.7	Confident	87.2	Confident	26 Å²	26	45 Å²	45	27%	0.268	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	73.2	-151.9	-172.3	0	0	0	0	0	112.3	H81 F83 C87	H81-G85 VanDerWaalsContact CB-O 3.22Å; H81-G85 WeakPolarHBondContact CB-O 3.42Å; H81-G85 PolarHBondContact N-O 2.98Å; H81-G85 WeakPolarHBondContact O-CA 3.31Å; H81-G85 PolarHBondContact O-N 3.47Å; F83-G85 VanDerWaalsContact C-N 3.33Å; F83-G85 PolarHBondContact O-N 3.23Å; G85-C87 PolarHBondContact O-N 3.38Å; G85-C87 PolarHBondContact O-SG 3.29Å; G85-C87 VanDerWaalsContact O-SG 3.42Å
86	P	85.7	Confident	87.1	Confident	62 Å²	62	44.6 Å²	44.6	40%	0.403	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	129.3	-179	29.1	-33.7	0	0	0	110.7	I78 L79 F104	I78-P86 HydrophobicContact CG2-CB 3.73Å; L79-P86 WeakPolarHBondContact O-CA 3.2Å; P86-F104 HydrophobicContact CB-CD2 3.95Å; P86-F104 HydrophobicContact CB-CE2 4.48Å; P86-F104 HydrophobicContact CG-CD2 4.27Å; P86-F104 VanDerWaalsContact O-CD2 3.29Å; P86-F104 WeakPolarHBondContact O-CD2 3.36Å; P86-F104 PolarHBondContact O-N 3.21Å
87	C	88.1	Confident	87	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132	178.5	-57.7	0	0	0	0	110.2	I78 L79 G85 V89 I101 I102	I78-C87 CarbonylContact C-O 3.53Å; I78-C87 WeakPolarHBondContact CA-O 3.16Å; L79-C87 HydrophobicContact CB-CB 4.48Å; L79-C87 PolarHBondContact N-O 3.44Å; L79-C87 PolarHBondContact O-N 3.5Å; G85-C87 PolarHBondContact O-N 3.38Å; G85-C87 PolarHBondContact O-SG 3.29Å; G85-C87 VanDerWaalsContact O-SG 3.42Å; C87-V89 PolarHBondContact O-N 3.18Å; C87-I101 HydrophobicContact CB-CB 4.03Å; C87-I101 HydrophobicContact CB-CD1 4.03Å; C87-I101 HydrophobicContact CB-CG1 4.49Å; C87-I102 CarbonylContact C-O 3.54Å; C87-I102 WeakPolarHBondContact CA-O 3.5Å
88	K	92.4	Very high	86.8	Confident	69 Å²	69	43.3 Å²	43.3	30%	0.3	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	125.5	173.5	179.7	171.5	-179.7	154.8	0	110	D76 I101 I102 F104	D76-K88 VanDerWaalsContact CG-CE 3.43Å; D76-K88 WeakPolarHBondContact OD1-CE 3.43Å; D76-K88 IonicContact OD1-NZ 3.52Å; D76-K88 PolarHBondContact OD1-NZ 3.01Å; D76-K88 WeakPolarHBondContact OD2-CE 3.47Å; D76-K88 IonicContact OD2-NZ 3.12Å; D76-K88 PolarHBondContact OD2-NZ 3.32Å; K88-I101 CarbonylContact O-C 3.52Å; K88-I101 VanDerWaalsContact O-CA 3.25Å; K88-I101 WeakPolarHBondContact O-CA 3.48Å; K88-I102 PolarHBondContact N-O 3.07Å; K88-I102 PolarHBondContact O-N 3.43Å; K88-F104 HydrophobicContact CB-CE1 4.46Å; K88-F104 HydrophobicContact CB-CE2 4.23Å; K88-F104 HydrophobicContact CB-CZ 3.94Å
89	V	93.6	Very high	86.7	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	118.1	174.5	-175.5	0	0	0	0	109	P46 L70 T77 L79 C87 I92 M99 K100 I101	P46-V89 HydrophobicContact CG-CG1 4.22Å; L70-V89 HydrophobicContact CD2-CG2 3.75Å; T77-V89 HydrophobicContact CG2-CB 3.94Å; T77-V89 HydrophobicContact CG2-CG2 4.06Å; T77-V89 PolarHBondContact O-N 3.46Å; L79-V89 HydrophobicContact CB-CG2 3.79Å; C87-V89 PolarHBondContact O-N 3.18Å; V89-I92 HydrophobicContact CG1-CD1 4.23Å; V89-I92 HydrophobicContact CG1-CG1 3.84Å; V89-M99 HydrophobicContact CG1-CG 3.83Å; V89-M99 HydrophobicContact CG1-SD 4.13Å; V89-M99 HydrophobicContact CG2-SD 4.12Å; V89-K100 WeakPolarHBondContact CA-O 3.49Å; V89-I101 HydrophobicContact CG2-CG2 4.15Å
90	T	92.7	Very high	86.9	Confident	50 Å²	50	46.5 Å²	46.5	31%	0.307	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-35.4	-178.2	54.2	0	0	0	0	112.2	K100 I102 E228	T90-K100 PolarHBondContact N-O 2.89Å; T90-K100 WeakPolarHBondContact OG1-CB 3.49Å; T90-K100 PolarHBondContact OG1-O 3.47Å; T90-I102 HydrophobicContact CG2-CD1 3.58Å; T90-I102 HydrophobicContact CG2-CG1 3.93Å; T90-E228 WeakPolarHBondContact CB-OE2 3.3Å; T90-E228 PolarHBondContact OG1-OE2 2.99Å
91	A	93.2	Very high	87.3	Confident	41 Å²	41	42.2 Å²	42.2	34%	0.339	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	152.2	179.1	0	0	0	0	0	112.2	K100	A91-K100 HydrophobicContact CB-CB 4.39Å; A91-K100 HydrophobicContact CB-CD 4.16Å; A91-K100 PolarHBondContact O-N 3.04Å
92	I	91.9	Very high	87.6	Confident	24 Å²	24	44.6 Å²	44.6	12%	0.123	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	116.2	171.8	-54.2	175.2	0	0	0	107.5	P46 I48 L70 V89 Y94 M99	P46-I92 HydrophobicContact CB-CD1 4.31Å; P46-I92 HydrophobicContact CB-CG1 4.14Å; I48-I92 HydrophobicContact CG1-CD1 4.32Å; L70-I92 HydrophobicContact CD1-CD1 4.44Å; V89-I92 HydrophobicContact CG1-CD1 4.23Å; V89-I92 HydrophobicContact CG1-CG1 3.84Å; I92-Y94 HydrophobicContact CB-CE2 4.12Å; I92-Y94 HydrophobicContact CG2-CD2 4.05Å; I92-Y94 HydrophobicContact CG2-CE1 4.17Å; I92-Y94 HydrophobicContact CG2-CE2 3.59Å; I92-M99 HydrophobicContact CD1-CE 3.98Å; I92-M99 HydrophobicContact CG1-CE 4.11Å; I92-M99 HydrophobicContact CG1-CG 4.27Å
93	D	91.4	Very high	88.1	Confident	58 Å²	58	38.9 Å²	38.9	31%	0.31	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	101.7	175.5	-173.4	-20.7	0	0	0	109.7	K95 K96 A97 V98	D93-K95 VanDerWaalsContact C-N 3.33Å; D93-K95 PolarHBondContact O-N 2.9Å; D93-K95 WeakPolarHBondContact OD1-CB 3.18Å; D93-K95 PolarHBondContact OD1-N 2.88Å; D93-K96 HydrophobicContact CB-CB 4.36Å; D93-K96 PolarHBondContact O-N 2.77Å; D93-K96 PolarHBondContact OD1-N 3.3Å; D93-K96 VanDerWaalsContact OD1-N 3.14Å; D93-K96 VanDerWaalsContact OD2-CD 3.24Å; D93-K96 WeakPolarHBondContact OD2-CD 3.41Å; D93-K96 WeakPolarHBondContact OD2-CG 3.49Å; D93-A97 WeakPolarHBondContact O-CA 3.24Å; D93-A97 PolarHBondContact O-N 2.95Å; D93-V98 HydrophobicContact CB-CB 4.49Å; D93-V98 PolarHBondContact N-O 3.34Å; D93-V98 PolarHBondContact O-N 3.43Å
94	Y	89.1	Confident	88.3	Confident	23 Å²	23	42.3 Å²	42.3	9%	0.09	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-24.5	-179.8	-70.6	-84.1	0	0	0	113.9	E47 R49 H52 I92 K96	E47-Y94 WeakPolarHBondContact O-CE2 3.45Å; E47-Y94 PolarHBondContact O-OH 3.29Å; R49-Y94 HydrophobicContact CG-CE1 3.81Å; R49-Y94 HydrophobicContact CG-CE2 3.88Å; R49-Y94 VanDerWaalsContact CG-CZ 3.45Å; R49-Y94 WeakPolarHBondContact CG-OH 3.43Å; R49-Y94 PolarHBondContact N-OH 2.92Å; R49-Y94 WeakPolarHBondContact O-CE1 3.48Å; R49-Y94 PolarHBondContact O-OH 3.25Å; H52-Y94 AromaticContact CD2-CE1 3.91Å; I92-Y94 HydrophobicContact CB-CE2 4.12Å; I92-Y94 HydrophobicContact CG2-CD2 4.05Å; I92-Y94 HydrophobicContact CG2-CE1 4.17Å; I92-Y94 HydrophobicContact CG2-CE2 3.59Å; Y94-K96 VanDerWaalsContact C-N 3.34Å
95	K	89.3	Confident	87.6	Confident	117 Å²	117	43.7 Å²	43.7	51%	0.509	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-23.4	178.6	-70.9	-176.5	176.7	-176	0	112.5	D93 T243 E246 Q247	D93-K95 VanDerWaalsContact C-N 3.33Å; D93-K95 PolarHBondContact O-N 2.9Å; D93-K95 WeakPolarHBondContact OD1-CB 3.18Å; D93-K95 PolarHBondContact OD1-N 2.88Å; K95-T243 WeakPolarHBondContact O-CG2 3.29Å; K95-E246 WeakPolarHBondContact CE-O 3.37Å; K95-E246 HydrophobicContact CG-CB 3.96Å; K95-Q247 PolarHBondContact O-NE2 3.5Å
96	K	87.6	Confident	86.3	Confident	141 Å²	141	45.6 Å²	45.6	61%	0.613	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-8.1	177.2	-60.8	-175.7	-171.2	172	0	113.4	D93 Y94 V98	D93-K96 HydrophobicContact CB-CB 4.36Å; D93-K96 PolarHBondContact O-N 2.77Å; D93-K96 PolarHBondContact OD1-N 3.3Å; D93-K96 VanDerWaalsContact OD1-N 3.14Å; D93-K96 VanDerWaalsContact OD2-CD 3.24Å; D93-K96 WeakPolarHBondContact OD2-CD 3.41Å; D93-K96 WeakPolarHBondContact OD2-CG 3.49Å; Y94-K96 VanDerWaalsContact C-N 3.34Å; K96-V98 HydrophobicContact CB-CB 4.39Å; K96-V98 HydrophobicContact CB-CG2 3.98Å
97	A	87.9	Confident	84.1	Confident	9 Å²	9	48 Å²	48	7%	0.074	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	51.2	-170.1	0	0	0	0	0	112.8	D93 L233 L234 T243	D93-A97 WeakPolarHBondContact O-CA 3.24Å; D93-A97 PolarHBondContact O-N 2.95Å; A97-L233 WeakPolarHBondContact O-CB 3.39Å; A97-L233 PolarHBondContact O-N 3.06Å; A97-L234 HydrophobicContact CB-CD2 3.62Å; A97-L234 HydrophobicContact CB-CG 3.97Å; A97-T243 WeakPolarHBondContact CB-OG1 3.31Å
98	V	89.1	Confident	81.9	Confident	19 Å²	19	53.5 Å²	53.5	12%	0.115	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.8	-176.9	170.1	0	0	0	0	110.8	D93 K96 T230 L231	D93-V98 HydrophobicContact CB-CB 4.49Å; D93-V98 PolarHBondContact N-O 3.34Å; D93-V98 PolarHBondContact O-N 3.43Å; K96-V98 HydrophobicContact CB-CB 4.39Å; K96-V98 HydrophobicContact CB-CG2 3.98Å; V98-T230 HydrophobicContact CG1-CG2 3.24Å; V98-L231 WeakPolarHBondContact CA-O 3.35Å
99	M	90.7	Very high	79.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.9	170.5	-178.7	179.7	-62.2	0	0	110.6	L70 L79 V89 I92 I101 L231 L233	L70-M99 HydrophobicContact CD1-CE 4.25Å; L70-M99 HydrophobicContact CD2-CE 4.37Å; L70-M99 HydrophobicContact CD2-SD 4.36Å; L79-M99 HydrophobicContact CD2-SD 4.23Å; V89-M99 HydrophobicContact CG1-CG 3.83Å; V89-M99 HydrophobicContact CG1-SD 4.13Å; V89-M99 HydrophobicContact CG2-SD 4.12Å; I92-M99 HydrophobicContact CD1-CE 3.98Å; I92-M99 HydrophobicContact CG1-CE 4.11Å; I92-M99 HydrophobicContact CG1-CG 4.27Å; M99-I101 HydrophobicContact CG-CG2 3.96Å; M99-I101 HydrophobicContact SD-CG2 4.17Å; M99-L231 PolarHBondContact N-O 3.41Å; M99-L231 PolarHBondContact O-N 3.33Å; M99-L233 HydrophobicContact CB-CD1 3.65Å; M99-L233 HydrophobicContact CB-CG 4.35Å; M99-L233 HydrophobicContact CE-CD1 4.17Å
100	K	93	Very high	77.5	Confident	76 Å²	76	59.5 Å²	59.5	33%	0.33	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.2	177.2	-71.8	173.7	156	-139.3	0	110.4	V89 T90 A91 E228 I229	V89-K100 WeakPolarHBondContact CA-O 3.49Å; T90-K100 PolarHBondContact N-O 2.89Å; T90-K100 WeakPolarHBondContact OG1-CB 3.49Å; T90-K100 PolarHBondContact OG1-O 3.47Å; A91-K100 HydrophobicContact CB-CB 4.39Å; A91-K100 HydrophobicContact CB-CD 4.16Å; A91-K100 PolarHBondContact O-N 3.04Å; K100-E228 HydrophobicContact CB-CG 4.1Å; K100-E228 WeakPolarHBondContact CD-OE1 3.38Å; K100-E228 WeakPolarHBondContact CE-OE1 3.32Å; K100-E228 HydrophobicContact CG-CG 4.49Å; K100-E228 IonicContact NZ-OE1 3.94Å; K100-E228 PolarHBondContact NZ-OE1 3.5Å; K100-I229 CarbonylContact C-O 3.46Å; K100-I229 WeakPolarHBondContact CA-O 3.27Å
101	I	91.7	Very high	75.6	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.7	-176	65.9	167.3	0	0	0	112.2	L79 L84 C87 K88 V89 M99 E228 I229 L231	L79-I101 HydrophobicContact CD2-CD1 4.25Å; L79-I101 HydrophobicContact CD2-CG2 3.98Å; L84-I101 HydrophobicContact CD1-CD1 4.35Å; C87-I101 HydrophobicContact CB-CB 4.03Å; C87-I101 HydrophobicContact CB-CD1 4.03Å; C87-I101 HydrophobicContact CB-CG1 4.49Å; K88-I101 CarbonylContact O-C 3.52Å; K88-I101 VanDerWaalsContact O-CA 3.25Å; K88-I101 WeakPolarHBondContact O-CA 3.48Å; V89-I101 HydrophobicContact CG2-CG2 4.15Å; M99-I101 HydrophobicContact CG-CG2 3.96Å; M99-I101 HydrophobicContact SD-CG2 4.17Å; I101-E228 WeakPolarHBondContact O-CA 3.39Å; I101-I229 HydrophobicContact CG1-CB 4.05Å; I101-I229 PolarHBondContact N-O 3.29Å; I101-I229 PolarHBondContact O-N 3.4Å; I101-L231 HydrophobicContact CD1-CD1 3.83Å; I101-L231 HydrophobicContact CD1-CD2 4.27Å; I101-L231 HydrophobicContact CD1-CG 4.16Å; I101-L231 HydrophobicContact CG1-CD1 4.34Å; I101-L231 HydrophobicContact CG1-CG 4.31Å; I101-L231 HydrophobicContact CG2-CD1 4.37Å
102	I	89.3	Confident	73.8	Confident	58 Å²	58	58.5 Å²	58.5	30%	0.297	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.3	171.2	-62.4	175.4	0	0	0	107.6	C87 K88 T90 F104 S226 E228	C87-I102 CarbonylContact C-O 3.54Å; C87-I102 WeakPolarHBondContact CA-O 3.5Å; K88-I102 PolarHBondContact N-O 3.07Å; K88-I102 PolarHBondContact O-N 3.43Å; T90-I102 HydrophobicContact CG2-CD1 3.58Å; T90-I102 HydrophobicContact CG2-CG1 3.93Å; I102-F104 PolarHBondContact O-N 3.1Å; I102-S226 WeakPolarHBondContact CG2-O 3.29Å; I102-E228 HydrophobicContact CG1-CB 4.06Å; I102-E228 HydrophobicContact CG1-CG 4.36Å
103	P	83.9	Confident	71.8	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.013	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	131.2	174.8	-19.9	32.3	0	0	0	110.5	L84 G105 S226 I229	L84-P103 HydrophobicContact CD1-CG 4.11Å; P103-G105 PolarHBondContact O-N 2.95Å; P103-G105 VanDerWaalsContact O-N 3.1Å; P103-S226 PolarHBondContact O-OG 3.06Å; P103-S226 VanDerWaalsContact O-OG 3.1Å; P103-I229 HydrophobicContact CG-CD1 3.73Å
104	F	77.7	Confident	69.9	Low	91 Å²	91	63.5 Å²	63.5	40%	0.399	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-60.3	121.4	175.1	-78.3	-73	0	0	0	109.7	I78 P86 K88 I102	I78-F104 HydrophobicContact CD1-CE2 3.46Å; I78-F104 VanDerWaalsContact CD1-CE2 3.46Å; I78-F104 HydrophobicContact CD1-CZ 3.54Å; I78-F104 HydrophobicContact CG1-CE2 4.22Å; I78-F104 HydrophobicContact CG2-CE2 4.1Å; P86-F104 HydrophobicContact CB-CD2 3.95Å; P86-F104 HydrophobicContact CB-CE2 4.48Å; P86-F104 HydrophobicContact CG-CD2 4.27Å; P86-F104 VanDerWaalsContact O-CD2 3.29Å; P86-F104 WeakPolarHBondContact O-CD2 3.36Å; P86-F104 PolarHBondContact O-N 3.21Å; K88-F104 HydrophobicContact CB-CE1 4.46Å; K88-F104 HydrophobicContact CB-CE2 4.23Å; K88-F104 HydrophobicContact CB-CZ 3.94Å; I102-F104 PolarHBondContact O-N 3.1Å
105	G	62.4	Low	68.2	Low	49 Å²	49	65.6 Å²	65.6	51%	0.505	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-79	117	165.2	0	0	0	0	0	107.1	P103 S107	P103-G105 PolarHBondContact O-N 2.95Å; P103-G105 VanDerWaalsContact O-N 3.1Å; G105-S107 PolarHBondContact O-N 3.04Å; G105-S107 VanDerWaalsContact O-N 3.08Å
106	G	51.1	Low	66.7	Low	66 Å²	66	60.6 Å²	60.6	68%	0.68	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-54.6	120.9	166.1	0	0	0	0	0	107.6	S108	G106-S108 PolarHBondContact O-N 3.5Å
107	S	41.2	Very low	64.9	Low	113 Å²	113	59.5 Å²	59.5	79%	0.79	36%	0.364	S	S	*	.	S	Bend	trans	-50.3	128.9	168.2	54.3	0	0	0	0	107.9	G105	G105-S107 PolarHBondContact O-N 3.04Å; G105-S107 VanDerWaalsContact O-N 3.08Å
108	S	40.4	Very low	62.9	Low	114 Å²	114	63 Å²	63	80%	0.797	39%	0.387	S	S	*	.	S	Bend	trans	84.8	56.3	171.3	-39.2	0	0	0	0	117.1	G106	G106-S108 PolarHBondContact O-N 3.5Å
109	S	45	Very low	60.8	Low	86 Å²	86	64.1 Å²	64.1	60%	0.601	40%	0.395	S	S	*	.				164.6	142.8	129.4	50.8	0	0	0	0	112.3	C111	S109-C111 PolarHBondContact O-N 3.05Å
110	P	48.8	Very low	58.4	Low	112 Å²	112	70.9 Å²	70.9	73%	0.727	43%	0.431	S	S	*	.			trans	-77.2	29.7	179.5	31.9	-31.9	0	0	0	113.2
111	C	52.5	Low	56.2	Low	45 Å²	45	70.4 Å²	70.4	30%	0.304	43%	0.431	S	S	.	.			trans	-90.2	113.1	-175	156.5	0	0	0	0	110.6	S109 C171	S109-C111 PolarHBondContact O-N 3.05Å; C111-C171 WeakPolarHBondContact CA-SG 3.47Å; C111-C171 HydrophobicContact CB-CB 3.64Å; C111-C171 WeakPolarHBondContact CB-SG 3.46Å; C111-C171 WeakPolarHBondContact SG-CB 3.29Å; C111-C171 CovalentContact SG-SG 1.99Å; C111-C171 PolarHBondContact SG-SG 3.44Å
112	L	55.6	Low	53.7	Low	26 Å²	26	74.5 Å²	74.5	14%	0.136	46%	0.46	C	S	.	.			trans	-113.6	-11.3	-165.9	-67.7	170.7	0	0	0	115.9	H114 K115 F116 I224	L112-H114 VanDerWaalsContact C-N 3.26Å; L112-H114 PolarHBondContact O-N 3.37Å; L112-K115 HydrophobicContact CD2-CD 4.33Å; L112-K115 PolarHBondContact O-N 2.72Å; L112-F116 WeakPolarHBondContact O-CD2 3.49Å; L112-I224 HydrophobicContact CD1-CB 4Å; L112-I224 HydrophobicContact CD1-CG1 4.16Å; L112-I224 HydrophobicContact CD1-CG2 3.44Å; L112-I224 VanDerWaalsContact CD1-CG2 3.44Å
113	L	49.4	Very low	51.4	Low	48 Å²	48	76.7 Å²	76.7	25%	0.251	49%	0.487	S	S	.	.	H	α-helix	trans	-63.9	-32.1	178.1	-86.1	165.6	0	0	0	112.4	K115 F116 N117 I139 L168	L113-K115 VanDerWaalsContact C-N 3.3Å; L113-K115 PolarHBondContact O-N 3.3Å; L113-F116 PolarHBondContact O-N 2.81Å; L113-N117 VanDerWaalsContact O-CB 3.31Å; L113-N117 WeakPolarHBondContact O-CB 3.38Å; L113-N117 PolarHBondContact O-N 2.72Å; L113-I139 HydrophobicContact CD2-CD1 4.29Å; L113-I139 HydrophobicContact CD2-CG2 4.4Å; L113-L168 HydrophobicContact CD2-CD1 4.19Å
114	H	52.5	Low	49.2	Very low	138 Å²	138	83 Å²	83	64%	0.639	52%	0.521	S	S	*	.	H	α-helix	trans	-67.9	-28.2	-178.3	-146.3	-79.8	0	0	0	113.2	L112 F116 S118	L112-H114 VanDerWaalsContact C-N 3.26Å; L112-H114 PolarHBondContact O-N 3.37Å; H114-F116 VanDerWaalsContact C-N 3.3Å; H114-F116 PolarHBondContact O-N 3.42Å; H114-S118 PolarHBondContact O-OG 3.18Å
115	K	54.3	Low	47.5	Very low	67 Å²	67	83.5 Å²	83.5	29%	0.291	53%	0.531	S	S	.	.	H	α-helix	trans	-65.6	-32.2	176.5	-91	-176	174.7	179.9	0	112.6	L112 L113	L112-K115 HydrophobicContact CD2-CD 4.33Å; L112-K115 PolarHBondContact O-N 2.72Å; L113-K115 VanDerWaalsContact C-N 3.3Å; L113-K115 PolarHBondContact O-N 3.3Å
116	F	56.6	Low	46.4	Very low	12 Å²	12	86.1 Å²	86.1	5%	0.053	53%	0.533	C	S	.	.	H	α-helix	trans	-98.5	-21.2	-177.5	-64.6	-82.8	0	0	0	113.3	F83 L112 L113 H114 I139 L182 I204 I223	F83-F116 AromaticContact CE1-CD1 3.86Å; F83-F116 HydrophobicContact CE1-CD1 3.86Å; F83-F116 AromaticContact CE1-CE1 3.53Å; F83-F116 HydrophobicContact CE1-CE1 3.53Å; F83-F116 HydrophobicContact CE1-CZ 4.46Å; F83-F116 HydrophobicContact CE2-CD1 4.14Å; F83-F116 AromaticContact CZ-CD1 3.18Å; F83-F116 HydrophobicContact CZ-CD1 3.18Å; F83-F116 AromaticContact CZ-CE1 3.39Å; F83-F116 HydrophobicContact CZ-CE1 3.39Å; F83-F116 HydrophobicContact CZ-CG 4.11Å; F83-F116 HydrophobicContact CZ-CZ 4.49Å; L112-F116 WeakPolarHBondContact O-CD2 3.49Å; L113-F116 PolarHBondContact O-N 2.81Å; H114-F116 VanDerWaalsContact C-N 3.3Å; H114-F116 PolarHBondContact O-N 3.42Å; F116-I139 HydrophobicContact CB-CD1 3.45Å; F116-I139 VanDerWaalsContact CB-CD1 3.45Å; F116-I139 HydrophobicContact CG-CD1 4.08Å; F116-L182 HydrophobicContact CE1-CD2 4.49Å; F116-L182 HydrophobicContact CZ-CD2 4.39Å; F116-I204 HydrophobicContact CB-CD1 4.06Å; F116-I204 HydrophobicContact CD1-CB 4.29Å; F116-I204 HydrophobicContact CD1-CD1 3.6Å; F116-I204 HydrophobicContact CD1-CG1 3.94Å; F116-I204 HydrophobicContact CD1-CG2 3.39Å; F116-I204 HydrophobicContact CE1-CD1 4.48Å; F116-I204 HydrophobicContact CE1-CG2 3.39Å; F116-I204 HydrophobicContact CG-CD1 4.13Å; F116-I223 HydrophobicContact CZ-CG2 4.2Å
117	N	49.1	Very low	46.2	Very low	119 Å²	119	89 Å²	89	64%	0.636	53%	0.533	S	S	*	.	H	α-helix	trans	-89	-18.2	-174	-154.3	25.2	0	0	0	114.2	L113	L113-N117 VanDerWaalsContact O-CB 3.31Å; L113-N117 WeakPolarHBondContact O-CB 3.38Å; L113-N117 PolarHBondContact O-N 2.72Å
118	S	45.7	Very low	46.3	Very low	81 Å²	81	91.8 Å²	91.8	57%	0.566	53%	0.534	S	S	*	.	S	Bend	trans	-86	-3.9	-172.8	44.4	0	0	0	0	115.2	H114 N120	H114-S118 PolarHBondContact O-OG 3.18Å; S118-N120 PolarHBondContact O-N 3.47Å
119	T	45.6	Very low	46.8	Very low	44 Å²	44	90.7 Å²	90.7	27%	0.27	52%	0.519	S	S	.	.			trans	-93.3	99.9	176.1	41.7	0	0	0	0	110.8	L121	T119-L121 PolarHBondContact O-N 3.39Å; T119-L121 VanDerWaalsContact OG1-CD1 3.27Å; T119-L121 WeakPolarHBondContact OG1-CD1 3.4Å
120	N	40.1	Very low	47.6	Very low	141 Å²	141	89.6 Å²	89.6	75%	0.754	50%	0.504	S	S	*	.			trans	-60.4	81.2	151.6	-87.4	-21	0	0	0	107.3	S118 S122	S118-N120 PolarHBondContact O-N 3.47Å; N120-S122 PolarHBondContact O-N 3.26Å
121	L	47.1	Very low	48.4	Very low	66 Å²	66	85.9 Å²	85.9	35%	0.346	48%	0.478	S	S	.	.			trans	-70.3	111.9	172.1	-86.5	114.5	0	0	0	107.8	T119 A123	T119-L121 PolarHBondContact O-N 3.39Å; T119-L121 VanDerWaalsContact OG1-CD1 3.27Å; T119-L121 WeakPolarHBondContact OG1-CD1 3.4Å; L121-A123 PolarHBondContact O-N 3.12Å
122	S	39.7	Very low	49.5	Very low	86 Å²	86	84.6 Å²	84.6	60%	0.601	47%	0.467	S	S	*	.			trans	-49.8	128.7	153.1	168.9	0	0	0	0	107.7	N120 D124	N120-S122 PolarHBondContact O-N 3.26Å; S122-D124 PolarHBondContact O-N 3.1Å; S122-D124 PolarHBondContact OG-N 3.47Å
123	A	41.3	Very low	50.7	Low	105 Å²	105	87 Å²	87	87%	0.868	48%	0.479	S	S	*	.	S	Bend	trans	-64	-7.3	-179.1	0	0	0	0	0	113.4	L121	L121-A123 PolarHBondContact O-N 3.12Å
124	D	36.9	Very low	52.3	Low	135 Å²	135	86.1 Å²	86.1	72%	0.722	48%	0.476	S	S	*	.			trans	-113.5	59.1	-178.9	-84.2	-29.8	0	0	0	112.3	S122 N126	S122-D124 PolarHBondContact O-N 3.1Å; S122-D124 PolarHBondContact OG-N 3.47Å; D124-N126 PolarHBondContact O-N 3.18Å
125	V	42.8	Very low	53.9	Low	100 Å²	100	80.7 Å²	80.7	61%	0.606	45%	0.451	S	S	*	.			trans	-71.1	87.7	153.6	-177.7	0	0	0	0	106	D127	V125-D127 PolarHBondContact O-N 3.36Å
126	N	38.6	Very low	55.5	Low	105 Å²	105	79.3 Å²	79.3	56%	0.561	45%	0.449	S	S	*	.			trans	-38.6	119.5	176.3	-126.7	-15.7	0	0	0	109.9	D124 Q128 N129	D124-N126 PolarHBondContact O-N 3.18Å; N126-Q128 PolarHBondContact O-N 2.97Å; N126-N129 PolarHBondContact O-N 3.14Å
127	D	47.1	Very low	57	Low	126 Å²	126	78.7 Å²	78.7	67%	0.674	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-55.7	-21.3	-173.5	-128.4	-0.8	0	0	0	112.6	V125 N129 Q130	V125-D127 PolarHBondContact O-N 3.36Å; D127-N129 PolarHBondContact O-N 3.45Å; D127-Q130 PolarHBondContact OD1-NE2 3.06Å
128	Q	42	Very low	58.7	Low	172 Å²	172	77.9 Å²	77.9	80%	0.804	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-65.8	-15.7	177	-67.3	-170.3	-16.6	0	0	115	N126	N126-Q128 PolarHBondContact O-N 2.97Å
129	N	51	Low	60.7	Low	91 Å²	91	74.3 Å²	74.3	49%	0.487	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-108.4	13.3	-177	-75.9	-13.9	0	0	0	114.3	H67 N126 D127 L131	H67-N129 PolarHBondContact CE1-OD1 3.25Å; H67-N129 PolarHBondContact NE2-OD1 3.5Å; N126-N129 PolarHBondContact O-N 3.14Å; D127-N129 PolarHBondContact O-N 3.45Å; N129-L131 PolarHBondContact O-N 3.1Å
130	Q	62.5	Low	62.6	Low	63 Å²	63	72.5 Å²	72.5	29%	0.294	40%	0.397	S	S	.	.			trans	-70.6	115.9	178.1	-68.7	-155.5	29.9	0	0	111.6	D127 Y132 T134 L235	D127-Q130 PolarHBondContact OD1-NE2 3.06Å; Q130-Y132 VanDerWaalsContact C-N 3.33Å; Q130-T134 PolarHBondContact OE1-OG1 3.27Å; Q130-L235 HydrophobicContact CB-CD1 4.01Å; Q130-L235 WeakPolarHBondContact O-CD1 3.41Å
131	L	64.9	Low	64.8	Low	33 Å²	33	69.7 Å²	69.7	17%	0.173	38%	0.377	C	S	.	.	S	Bend	trans	-72.2	-27.1	-179.4	-162.8	97.9	0	0	0	112.9	H67 A68 N129 L233	H67-L131 HydrophobicContact CB-CD1 3.79Å; A68-L131 HydrophobicContact CB-CD1 4.02Å; A68-L131 HydrophobicContact CB-CD2 3.93Å; A68-L131 VanDerWaalsContact N-CD1 3.3Å; N129-L131 PolarHBondContact O-N 3.1Å; L131-L233 HydrophobicContact CD2-CD2 3.65Å; L131-L233 HydrophobicContact CG-CD2 4.05Å
132	Y	76.5	Confident	66.6	Low	18 Å²	18	66.6 Å²	66.6	7%	0.071	36%	0.36	C	S	.	.	S	Bend	trans	-155.8	161.2	-178	55.5	-87.3	0	0	0	109.2	H81 Q130 T134 P207 L231 D232	H81-Y132 AromaticContact CE1-CZ 3.96Å; H81-Y132 PolarHBondContact CE1-OH 3.33Å; H81-Y132 AromaticContact NE2-CE1 3.87Å; H81-Y132 AromaticContact NE2-CZ 3.45Å; H81-Y132 PolarHBondContact NE2-OH 2.91Å; Q130-Y132 VanDerWaalsContact C-N 3.33Å; Y132-T134 HydrophobicContact CD2-CG2 3.93Å; Y132-T134 HydrophobicContact CE2-CG2 3.4Å; Y132-P207 HydrophobicContact CD2-CB 3.89Å; Y132-P207 HydrophobicContact CD2-CG 4.43Å; Y132-P207 HydrophobicContact CE2-CB 3.6Å; Y132-P207 HydrophobicContact CE2-CG 3.66Å; Y132-L231 HydrophobicContact CD1-CB 4.4Å; Y132-L231 HydrophobicContact CD1-CD1 4.03Å; Y132-L231 HydrophobicContact CD1-CD2 4.12Å; Y132-L231 HydrophobicContact CD1-CG 4.43Å; Y132-L231 HydrophobicContact CD2-CD2 3.99Å; Y132-L231 HydrophobicContact CE1-CD1 4.2Å; Y132-L231 HydrophobicContact CE1-CD2 4.28Å; Y132-L231 HydrophobicContact CE2-CD2 4.12Å; Y132-L231 HydrophobicContact CG-CB 4.31Å; Y132-L231 HydrophobicContact CG-CD2 4.05Å; Y132-D232 WeakPolarHBondContact CA-O 3.49Å; Y132-D232 WeakPolarHBondContact CB-O 3.5Å
133	L	80.6	Confident	68.6	Low	76 Å²	76	65.3 Å²	65.3	40%	0.398	35%	0.351	S	S	.	.			trans	-67.8	138.2	178.4	-74.9	160.6	0	0	0	111.2	N208 L235	L133-N208 PolarHBondContact O-N 2.99Å; L133-L235 HydrophobicContact CD2-CD2 4.33Å; L133-L235 HydrophobicContact CG-CD1 4.33Å; L133-L235 HydrophobicContact CG-CD2 4.4Å
134	T	83.2	Confident	70.4	Confident	30 Å²	30	67.5 Å²	67.5	18%	0.184	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148	177.9	56.8	0	0	0	0	111.6	Q130 Y132 P205 I206	Q130-T134 PolarHBondContact OE1-OG1 3.27Å; Y132-T134 HydrophobicContact CD2-CG2 3.93Å; Y132-T134 HydrophobicContact CE2-CG2 3.4Å; T134-P205 HydrophobicContact CG2-CB 3.72Å; T134-I206 CarbonylContact C-O 3.55Å; T134-I206 WeakPolarHBondContact CA-O 3.38Å
135	E	86.2	Confident	72.3	Confident	25 Å²	25	66 Å²	66	12%	0.117	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.3	163	-75.6	-61.9	148.1	0	0	109.3	G137 R186 I206 N208 F216 M219	E135-G137 PolarHBondContact O-N 2.96Å; E135-R186 IonicContact OE1-CZ 2.77Å; E135-R186 IonicContact OE1-NE 3.06Å; E135-R186 IonicContact OE1-NH2 2.7Å; E135-R186 PolarHBondContact OE1-NH2 3.29Å; E135-R186 IonicContact OE2-CZ 2.67Å; E135-R186 IonicContact OE2-NE 3.75Å; E135-R186 PolarHBondContact OE2-NE 2.98Å; E135-R186 IonicContact OE2-NH2 2.95Å; E135-R186 PolarHBondContact OE2-NH2 2.95Å; E135-I206 PolarHBondContact N-O 3.03Å; E135-I206 VanDerWaalsContact O-CB 3.29Å; E135-I206 WeakPolarHBondContact O-CB 3.34Å; E135-I206 PolarHBondContact O-N 3.4Å; E135-N208 HydrophobicContact CG-CB 4Å; E135-N208 WeakPolarHBondContact CG-ND2 3.44Å; E135-N208 PolarHBondContact OE1-ND2 3.29Å; E135-F216 HydrophobicContact CB-CD2 4.13Å; E135-M219 HydrophobicContact CB-CE 4.15Å; E135-M219 HydrophobicContact CG-CE 3.87Å
136	P	87.2	Confident	73.5	Confident	37 Å²	37	62.8 Å²	62.8	24%	0.24	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	129.4	179.3	22.3	-27.9	0	0	0	111.9	T185 N203	P136-T185 HydrophobicContact CB-CG2 4.03Å; P136-T185 HydrophobicContact CG-CG2 4.49Å; P136-T185 WeakPolarHBondContact CG-OG1 3.42Å; P136-T185 PolarHBondContact O-N 3.4Å; P136-T185 PolarHBondContact O-OG1 3.41Å; P136-N203 HydrophobicContact CB-CB 4.02Å
137	G	88	Confident	74.8	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	160.9	171.6	0	0	0	0	0	112.6	E135 V183 I204	E135-G137 PolarHBondContact O-N 2.96Å; G137-V183 CarbonylContact C-O 3.54Å; G137-V183 VanDerWaalsContact CA-O 3.24Å; G137-V183 WeakPolarHBondContact CA-O 3.22Å; G137-I204 PolarHBondContact N-O 3.21Å; G137-I204 WeakPolarHBondContact O-CB 3.33Å; G137-I204 PolarHBondContact O-N 3.46Å
138	R	86.5	Confident	75.5	Confident	101 Å²	101	59.1 Å²	59.1	38%	0.381	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149.1	172.2	-76.4	-172.6	172.7	-145.8	-1.2	110.7	V183 T185 V198 N203	R138-V183 PolarHBondContact N-O 2.84Å; R138-V183 PolarHBondContact O-N 2.72Å; R138-T185 HydrophobicContact CG-CG2 3.92Å; R138-V198 HydrophobicContact CB-CG1 4.36Å; R138-N203 PolarHBondContact NE-OD1 2.86Å; R138-N203 PolarHBondContact NH2-OD1 2.95Å
139	I	85.7	Confident	76	Confident	6 Å²	6	56.1 Å²	56.1	3%	0.031	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.5	173	-60	172.2	0	0	0	108.5	L113 F116 L168 Y181 L182 V198 V199 S200 I204	L113-I139 HydrophobicContact CD2-CD1 4.29Å; L113-I139 HydrophobicContact CD2-CG2 4.4Å; F116-I139 HydrophobicContact CB-CD1 3.45Å; F116-I139 VanDerWaalsContact CB-CD1 3.45Å; F116-I139 HydrophobicContact CG-CD1 4.08Å; I139-L168 HydrophobicContact CD1-CD1 4.14Å; I139-L168 HydrophobicContact CG1-CD1 4.03Å; I139-L168 HydrophobicContact CG2-CD1 3.97Å; I139-Y181 CarbonylContact C-O 3.57Å; I139-Y181 VanDerWaalsContact CA-O 3.29Å; I139-Y181 WeakPolarHBondContact CA-O 3.32Å; I139-L182 HydrophobicContact CG1-CD1 4.37Å; I139-V198 WeakPolarHBondContact O-CA 3.29Å; I139-V199 HydrophobicContact CB-CG2 3.85Å; I139-V199 HydrophobicContact CG2-CG2 3.4Å; I139-V199 WeakPolarHBondContact O-CG2 3.5Å; I139-V199 PolarHBondContact O-N 3.35Å; I139-S200 PolarHBondContact N-OG 2.94Å; I139-S200 PolarHBondContact O-N 3.36Å; I139-I204 HydrophobicContact CD1-CD1 3.81Å; I139-I204 HydrophobicContact CG1-CD1 3.55Å
140	V	85.9	Confident	76	Confident	6 Å²	6	61.3 Å²	61.3	4%	0.036	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.3	178.4	-175.6	0	0	0	0	108.8	S180 Y181 V183 L192 C196 M197 V198	V140-S180 CarbonylContact O-C 3.54Å; V140-S180 WeakPolarHBondContact O-CA 3.45Å; V140-Y181 PolarHBondContact N-O 3.04Å; V140-Y181 PolarHBondContact O-N 3.36Å; V140-V183 HydrophobicContact CB-CG2 4.19Å; V140-V183 HydrophobicContact CG2-CB 4.16Å; V140-V183 HydrophobicContact CG2-CG2 3.82Å; V140-L192 HydrophobicContact CG1-CD1 4.27Å; V140-L192 HydrophobicContact CG2-CD1 4.24Å; V140-C196 HydrophobicContact CG1-CB 3.53Å; V140-M197 CarbonylContact C-O 3.53Å; V140-M197 WeakPolarHBondContact CA-O 3.37Å; V140-V198 HydrophobicContact CG2-CG2 4.35Å
141	R	86.4	Confident	75.3	Confident	83 Å²	83	62.4 Å²	62.4	31%	0.313	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.1	177	-168.8	174.2	-160.6	165.3	2.4	109.2	H178 F179 C196 M197 V199	R141-H178 HydrophobicContact CG-CB 3.66Å; R141-F179 CarbonylContact C-O 3.53Å; R141-F179 VanDerWaalsContact CA-O 3.3Å; R141-F179 WeakPolarHBondContact CA-O 3.2Å; R141-C196 CarbonylContact O-C 3.49Å; R141-C196 WeakPolarHBondContact O-CA 3.37Å; R141-M197 PolarHBondContact N-O 3.49Å; R141-M197 PolarHBondContact O-N 3.38Å; R141-V199 HydrophobicContact CB-CG1 3.62Å; R141-V199 HydrophobicContact CB-CG2 4.31Å
142	C	85.5	Confident	74.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	152	-178.3	-44.7	0	0	0	0	109.7	H178 F179 Y181 C196	C142-H178 CarbonylContact O-C 3.54Å; C142-H178 VanDerWaalsContact O-CA 3.29Å; C142-H178 WeakPolarHBondContact O-CA 3.48Å; C142-F179 PolarHBondContact N-O 3.33Å; C142-F179 PolarHBondContact O-N 2.87Å; C142-Y181 HydrophobicContact CB-CE2 4.31Å; C142-C196 HydrophobicContact CB-CB 4.1Å; C142-C196 WeakPolarHBondContact CB-SG 3.49Å; C142-C196 WeakPolarHBondContact SG-CB 3.34Å; C142-C196 CovalentContact SG-SG 2.03Å; C142-C196 PolarHBondContact SG-SG 3.38Å
143	S	82.7	Confident	72.6	Confident	60 Å²	60	69.6 Å²	69.6	42%	0.42	36%	0.364	S	S	.	.	S	Bend	trans	-79.7	-27.6	175.8	-42	0	0	0	0	111.8	F179 D195	S143-F179 WeakPolarHBondContact O-CE2 3.3Å; S143-D195 VanDerWaalsContact CA-OD2 3.22Å; S143-D195 WeakPolarHBondContact CA-OD2 3.34Å; S143-D195 WeakPolarHBondContact CB-OD2 3.47Å; S143-D195 PolarHBondContact N-OD2 3.38Å; S143-D195 PolarHBondContact OG-OD2 3.01Å
144	K	78.3	Confident	70.8	Confident	150 Å²	150	66.8 Å²	66.8	65%	0.652	35%	0.349	S	S	*	.	S	Bend	trans	-108.7	150.9	178.6	-65.8	-179.4	-178.3	177.4	0	113.1	F179 D195	K144-F179 WeakPolarHBondContact O-CD2 3.4Å; K144-D195 PolarHBondContact N-OD2 3.48Å; K144-D195 VanDerWaalsContact N-OD2 3.14Å
145	E	77	Confident	69	Low	105 Å²	105	71.8 Å²	71.8	49%	0.491	38%	0.375	S	S	.	.			trans	-68.6	132.6	173.7	-169.6	163.6	174.1	0	0	110.3	R167 F179	E145-R167 IonicContact OE1-CZ 3.83Å; E145-R167 IonicContact OE1-NH1 3.02Å; E145-R167 PolarHBondContact OE1-NH1 2.6Å; E145-R167 IonicContact OE1-NH2 3.58Å; E145-R167 IonicContact OE2-NH1 3.14Å; E145-R167 IonicContact OE2-NH2 3.99Å; E145-F179 HydrophobicContact CB-CD1 4.1Å; E145-F179 HydrophobicContact CB-CD2 4.43Å; E145-F179 HydrophobicContact CB-CE1 3.7Å; E145-F179 HydrophobicContact CB-CE2 4.07Å; E145-F179 HydrophobicContact CB-CG 4.46Å; E145-F179 HydrophobicContact CB-CZ 3.7Å; E145-F179 HydrophobicContact CG-CD1 4.2Å; E145-F179 HydrophobicContact CG-CE1 3.99Å; E145-F179 HydrophobicContact CG-CZ 4.48Å; E145-F179 VanDerWaalsContact N-CE2 3.31Å
146	F	68	Low	67.2	Low	32 Å²	32	74.2 Å²	74.2	14%	0.14	41%	0.406	C	S	.	.			trans	-100.4	111.5	-178.3	176.8	-117.7	0	0	0	110.1	T148 I161 V165 Y181 A191 P193	F146-T148 HydrophobicContact CD1-CG2 3.89Å; F146-T148 HydrophobicContact CE1-CG2 3.7Å; F146-I161 HydrophobicContact CE1-CG2 3.89Å; F146-I161 HydrophobicContact CZ-CG2 3.78Å; F146-V165 HydrophobicContact CD1-CG1 4.26Å; F146-V165 HydrophobicContact CE1-CG1 4.37Å; F146-V165 HydrophobicContact CE1-CG2 4.23Å; F146-Y181 HydrophobicContact CB-CE1 4.23Å; F146-Y181 HydrophobicContact CB-CE2 4.18Å; F146-Y181 PolarHBondContact N-OH 3.29Å; F146-A191 WeakPolarHBondContact CE2-O 3.24Å; F146-A191 WeakPolarHBondContact CZ-O 3.32Å; F146-P193 HydrophobicContact CB-CG 4.18Å; F146-P193 VanDerWaalsContact CD2-CD 3.45Å; F146-P193 HydrophobicContact CD2-CG 3.81Å; F146-P193 HydrophobicContact CG-CG 4.36Å
147	T	66.1	Low	65.1	Low	102 Å²	102	80.9 Å²	80.9	63%	0.626	43%	0.428	S	S	*	.			trans	-85.9	113.1	175.1	45.7	0	0	0	0	111	S149	T147-S149 PolarHBondContact O-N 2.9Å
148	T	61.2	Low	63.3	Low	51 Å²	51	87.9 Å²	87.9	31%	0.313	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	5.7	-177.2	53.8	0	0	0	0	115	F146 R150 V165	F146-T148 HydrophobicContact CD1-CG2 3.89Å; F146-T148 HydrophobicContact CE1-CG2 3.7Å; T148-R150 PolarHBondContact O-N 3.46Å; T148-V165 HydrophobicContact CG2-CB 4.33Å; T148-V165 HydrophobicContact CG2-CG1 4.47Å
149	S	53.6	Low	61.8	Low	109 Å²	109	85 Å²	85	76%	0.762	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-6.5	-174.2	59.5	0	0	0	0	114.4	T147 A151	T147-S149 PolarHBondContact O-N 2.9Å; S149-A151 PolarHBondContact O-N 2.72Å; S149-A151 VanDerWaalsContact O-N 3.15Å
150	R	49.8	Very low	61	Low	201 Å²	201	88 Å²	88	76%	0.758	48%	0.477	S	S	*	.			trans	-82.2	95.4	179.9	-145.6	172.1	-169.4	177.5	2.1	110	T148 S152	T148-R150 PolarHBondContact O-N 3.46Å; R150-S152 VanDerWaalsContact C-N 3.32Å; R150-S152 PolarHBondContact O-N 3.05Å
151	A	47.5	Very low	60.4	Low	86 Å²	86	88.2 Å²	88.2	71%	0.711	48%	0.478	S	S	*	.			trans	-66.9	95.8	159.1	0	0	0	0	0	107.8	S149	S149-A151 PolarHBondContact O-N 2.72Å; S149-A151 VanDerWaalsContact O-N 3.15Å
152	S	47.4	Very low	60	Low	35 Å²	35	85.2 Å²	85.2	25%	0.245	47%	0.471	C	S	.	.			trans	-90.1	125	171.4	55.4	0	0	0	0	109.2	R150 I154 I161	R150-S152 VanDerWaalsContact C-N 3.32Å; R150-S152 PolarHBondContact O-N 3.05Å; S152-I154 PolarHBondContact O-N 3.3Å; S152-I154 VanDerWaalsContact O-N 3.11Å; S152-I154 WeakPolarHBondContact OG-CD1 3.45Å; S152-I161 WeakPolarHBondContact OG-CD1 3.47Å
153	M	38.7	Very low	60	Low	166 Å²	166	88.2 Å²	88.2	82%	0.818	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	108.9	162.4	-72.2	-167	-150.5	0	0	108
154	I	43	Very low	60.2	Low	17 Å²	17	87.6 Å²	87.6	9%	0.087	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.1	173.7	-65.9	169.2	0	0	0	106.8	S152 G156 Y157 Y188 Y190	S152-I154 PolarHBondContact O-N 3.3Å; S152-I154 VanDerWaalsContact O-N 3.11Å; S152-I154 WeakPolarHBondContact OG-CD1 3.45Å; I154-G156 VanDerWaalsContact C-N 3.31Å; I154-G156 PolarHBondContact O-N 2.89Å; I154-Y157 PolarHBondContact O-N 3.29Å; I154-Y188 HydrophobicContact CG2-CD2 3.91Å; I154-Y188 HydrophobicContact CG2-CE2 3.74Å; I154-Y190 HydrophobicContact CD1-CE2 3.81Å; I154-Y190 HydrophobicContact CG1-CE2 4.23Å; I154-Y190 WeakPolarHBondContact CG2-OH 3.33Å
155	D	43.5	Very low	60.5	Low	136 Å²	136	80.7 Å²	80.7	73%	0.727	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	40.5	175.9	-76.2	-19.6	0	0	0	116.1	Y157	D155-Y157 WeakPolarHBondContact O-CD2 3.45Å; D155-Y157 PolarHBondContact O-N 3.2Å
156	G	50.1	Low	60.9	Low	76 Å²	76	76.1 Å²	76.1	78%	0.784	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	8.2	174.2	0	0	0	0	0	115	I154	I154-G156 VanDerWaalsContact C-N 3.31Å; I154-G156 PolarHBondContact O-N 2.89Å
157	Y	43.2	Very low	61.5	Low	176 Å²	176	80.7 Å²	80.7	69%	0.69	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.5	170	-70.5	-87	0	0	0	110.2	I154 D155 T159	I154-Y157 PolarHBondContact O-N 3.29Å; D155-Y157 WeakPolarHBondContact O-CD2 3.45Å; D155-Y157 PolarHBondContact O-N 3.2Å; Y157-T159 VanDerWaalsContact C-N 3.28Å; Y157-T159 PolarHBondContact O-N 3.35Å
158	N	50.3	Low	61.8	Low	148 Å²	148	76 Å²	76	79%	0.791	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	90.9	167.4	-86.5	-3.7	0	0	0	108.5
159	T	53.8	Low	62	Low	41 Å²	41	79.2 Å²	79.2	25%	0.252	43%	0.428	S	S	.	.			trans	-99.9	105.7	170	37.4	0	0	0	0	108	Y157 I161	Y157-T159 VanDerWaalsContact C-N 3.28Å; Y157-T159 PolarHBondContact O-N 3.35Å; T159-I161 PolarHBondContact O-N 3.29Å
160	V	69.3	Low	62.2	Low	67 Å²	67	77.6 Å²	77.6	41%	0.406	42%	0.415	S	S	.	.			trans	-74.3	109.3	177.6	-176.5	0	0	0	0	107.7	A162 D163	V160-A162 HydrophobicContact CG1-CB 3.84Å; V160-A162 PolarHBondContact O-N 3.46Å; V160-D163 HydrophobicContact CB-CB 4.48Å; V160-D163 PolarHBondContact O-N 2.97Å
161	I	73.7	Confident	62.5	Low	11 Å²	11	70.5 Å²	70.5	6%	0.056	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-55.6	-36.6	179	-65.3	172	0	0	0	110.9	F146 S152 T159 D163 K164 V165 L187 A191	F146-I161 HydrophobicContact CE1-CG2 3.89Å; F146-I161 HydrophobicContact CZ-CG2 3.78Å; S152-I161 WeakPolarHBondContact OG-CD1 3.47Å; T159-I161 PolarHBondContact O-N 3.29Å; I161-D163 PolarHBondContact O-N 3.06Å; I161-D163 VanDerWaalsContact O-N 3.1Å; I161-K164 PolarHBondContact O-N 3.38Å; I161-V165 HydrophobicContact CG2-CG2 4.19Å; I161-L187 HydrophobicContact CG1-CD1 4.29Å; I161-L187 HydrophobicContact CG2-CD1 4.12Å; I161-A191 HydrophobicContact CD1-CB 4.02Å; I161-A191 HydrophobicContact CG1-CB 4.47Å
162	A	77.2	Confident	62.6	Low	20 Å²	20	73.1 Å²	73.1	17%	0.165	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-57.4	-24.4	178.9	0	0	0	0	0	114.2	V160 K164 K217	V160-A162 HydrophobicContact CG1-CB 3.84Å; V160-A162 PolarHBondContact O-N 3.46Å; A162-K164 VanDerWaalsContact C-N 3.32Å; A162-K217 WeakPolarHBondContact O-CD 3.48Å
163	D	86.5	Confident	62.5	Low	64 Å²	64	83.4 Å²	83.4	34%	0.342	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-83.2	-9.8	179.3	-73.3	-25.1	0	0	0	113.4	V160 I161 T215 F216 K217	V160-D163 HydrophobicContact CB-CB 4.48Å; V160-D163 PolarHBondContact O-N 2.97Å; I161-D163 PolarHBondContact O-N 3.06Å; I161-D163 VanDerWaalsContact O-N 3.1Å; D163-T215 HydrophobicContact CB-CG2 4.1Å; D163-F216 WeakPolarHBondContact O-CB 3.28Å; D163-F216 PolarHBondContact O-N 3.23Å; D163-K217 WeakPolarHBondContact O-CB 3.27Å; D163-K217 PolarHBondContact O-N 3.05Å
164	K	86.3	Confident	62.8	Low	46 Å²	46	81.9 Å²	81.9	20%	0.2	43%	0.426	C	S	.	.	S	Bend	trans	-111.5	-1.8	-175.5	-69	-174.5	176.9	-179.3	0	114.2	I161 A162 S184 R186 L187 F216	I161-K164 PolarHBondContact O-N 3.38Å; A162-K164 VanDerWaalsContact C-N 3.32Å; K164-S184 PolarHBondContact O-N 3.02Å; K164-R186 PolarHBondContact NZ-O 3.41Å; K164-L187 HydrophobicContact CB-CB 4.41Å; K164-L187 HydrophobicContact CB-CD1 4.23Å; K164-L187 HydrophobicContact CD-CB 4.24Å; K164-L187 HydrophobicContact CD-CD1 3.98Å; K164-F216 WeakPolarHBondContact O-CD1 3.5Å
165	V	84.8	Confident	63.1	Low	6 Å²	6	85.5 Å²	85.5	4%	0.036	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.5	-173.4	-178.4	0	0	0	0	110.1	F146 T148 I161 Y181 V183 L187	F146-V165 HydrophobicContact CD1-CG1 4.26Å; F146-V165 HydrophobicContact CE1-CG1 4.37Å; F146-V165 HydrophobicContact CE1-CG2 4.23Å; T148-V165 HydrophobicContact CG2-CB 4.33Å; T148-V165 HydrophobicContact CG2-CG1 4.47Å; I161-V165 HydrophobicContact CG2-CG2 4.19Å; V165-Y181 HydrophobicContact CG1-CD1 3.84Å; V165-Y181 HydrophobicContact CG1-CG 4.24Å; V165-V183 HydrophobicContact CG1-CG2 4.31Å; V165-V183 HydrophobicContact CG2-CG1 4.29Å; V165-V183 HydrophobicContact CG2-CG2 4.39Å; V165-L187 HydrophobicContact CG2-CD2 3.54Å
166	V	84.9	Confident	63.7	Low	9 Å²	9	85.9 Å²	85.9	6%	0.055	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.6	174	-171.2	0	0	0	0	109.6	Y181 L182 K217 A220 E221 I224	V166-Y181 CarbonylContact O-C 3.6Å; V166-Y181 VanDerWaalsContact O-CA 3.26Å; V166-Y181 WeakPolarHBondContact O-CA 3.27Å; V166-L182 PolarHBondContact N-O 3.44Å; V166-L182 PolarHBondContact O-N 3.25Å; V166-K217 HydrophobicContact CG2-CB 3.98Å; V166-K217 HydrophobicContact CG2-CG 3.91Å; V166-A220 HydrophobicContact CG2-CB 3.79Å; V166-E221 HydrophobicContact CG1-CG 4.17Å; V166-I224 HydrophobicContact CB-CD1 4.44Å; V166-I224 HydrophobicContact CG1-CD1 3.53Å
167	R	80.1	Confident	64.4	Low	127 Å²	127	85.8 Å²	85.8	48%	0.479	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	132.7	175.6	-173	178.2	-178.9	170.4	6	110.1	E145 F179 Y181	E145-R167 IonicContact OE1-CZ 3.83Å; E145-R167 IonicContact OE1-NH1 3.02Å; E145-R167 PolarHBondContact OE1-NH1 2.6Å; E145-R167 IonicContact OE1-NH2 3.58Å; E145-R167 IonicContact OE2-NH1 3.14Å; E145-R167 IonicContact OE2-NH2 3.99Å; R167-F179 VanDerWaalsContact NH2-CE1 3.27Å; R167-Y181 HydrophobicContact CB-CD1 4.05Å; R167-Y181 HydrophobicContact CB-CE1 4.01Å; R167-Y181 HydrophobicContact CG-CD1 4.3Å; R167-Y181 HydrophobicContact CG-CE1 3.96Å
168	L	73	Confident	65.9	Low	4 Å²	4	80.4 Å²	80.4	2%	0.021	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	139.4	175.4	-59.6	174.5	0	0	0	109.8	L113 I139 S180 L182 I224	L113-L168 HydrophobicContact CD2-CD1 4.19Å; I139-L168 HydrophobicContact CD1-CD1 4.14Å; I139-L168 HydrophobicContact CG1-CD1 4.03Å; I139-L168 HydrophobicContact CG2-CD1 3.97Å; L168-S180 PolarHBondContact N-O 3Å; L168-L182 HydrophobicContact CD1-CB 4.26Å; L168-L182 HydrophobicContact CD2-CB 4.14Å; L168-L182 HydrophobicContact CG-CB 4.27Å; L168-I224 HydrophobicContact CD2-CD1 4.19Å
169	I	66.1	Low	67.3	Low	118 Å²	118	76 Å²	76	61%	0.605	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-89.8	122.5	177.7	-57.7	175.8	0	0	0	109.1
170	P	57.7	Low	68.8	Low	76 Å²	76	74.4 Å²	74.4	49%	0.494	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-64.3	144.3	178.1	-20.2	31.7	0	0	0	113.3
171	C	56.2	Low	69.5	Low	51 Å²	51	71.5 Å²	71.5	35%	0.345	37%	0.371	S	S	.	.	S	Bend	trans	-86.8	-28.4	-178.7	-61.5	0	0	0	0	115.1	C111	C111-C171 WeakPolarHBondContact CA-SG 3.47Å; C111-C171 HydrophobicContact CB-CB 3.64Å; C111-C171 WeakPolarHBondContact CB-SG 3.46Å; C111-C171 WeakPolarHBondContact SG-CB 3.29Å; C111-C171 CovalentContact SG-SG 1.99Å; C111-C171 PolarHBondContact SG-SG 3.44Å
172	L	48.4	Very low	70.2	Confident	141 Å²	141	71 Å²	71	74%	0.738	37%	0.368	S	S	*	.			trans	-101.9	128.5	-173.8	-76.7	151.1	0	0	0	107.6	D174	L172-D174 PolarHBondContact O-N 3.31Å
173	R	46.7	Very low	70.7	Confident	251 Å²	251	70.4 Å²	70.4	95%	0.947	36%	0.363	S	S	*	.	S	Bend	trans	-64.8	-11.7	170.2	-107.4	-175.3	-176.1	-163	1.2	112.7
174	D	43.5	Very low	70.9	Confident	134 Å²	134	67.6 Å²	67.6	72%	0.717	35%	0.348	S	S	*	.	S	Bend	trans	-98.8	132.5	176.3	-102.2	-33.7	0	0	0	112.5	L172	L172-D174 PolarHBondContact O-N 3.31Å
175	T	50	Low	70.9	Confident	94 Å²	94	68.1 Å²	68.1	58%	0.577	36%	0.355	S	S	*	.			trans	92.5	57.2	-176.6	74.5	0	0	0	0	116.5	S177	T175-S177 PolarHBondContact O-N 3.32Å
176	T	55.2	Low	70.9	Confident	144 Å²	144	75.1 Å²	75.1	88%	0.883	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	20	175.6	42.2	0	0	0	0	116.8
177	S	64.9	Low	70.8	Confident	73 Å²	73	75.6 Å²	75.6	51%	0.51	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-0.3	-178.7	56.7	0	0	0	0	115.9	T175	T175-S177 PolarHBondContact O-N 3.32Å
178	H	74.9	Confident	70.8	Confident	64 Å²	64	75.2 Å²	75.2	30%	0.296	38%	0.382	S	S	.	.			trans	-141.4	140.7	-172.8	-62.8	81.7	0	0	0	114	R141 C142	R141-H178 HydrophobicContact CG-CB 3.66Å; C142-H178 CarbonylContact O-C 3.54Å; C142-H178 VanDerWaalsContact O-CA 3.29Å; C142-H178 WeakPolarHBondContact O-CA 3.48Å
179	F	80.4	Confident	70.8	Confident	55 Å²	55	81.4 Å²	81.4	24%	0.241	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	134.5	175.3	-57.7	-94.3	0	0	0	110.4	R141 C142 S143 K144 E145 R167 Y181	R141-F179 CarbonylContact C-O 3.53Å; R141-F179 VanDerWaalsContact CA-O 3.3Å; R141-F179 WeakPolarHBondContact CA-O 3.2Å; C142-F179 PolarHBondContact N-O 3.33Å; C142-F179 PolarHBondContact O-N 2.87Å; S143-F179 WeakPolarHBondContact O-CE2 3.3Å; K144-F179 WeakPolarHBondContact O-CD2 3.4Å; E145-F179 HydrophobicContact CB-CD1 4.1Å; E145-F179 HydrophobicContact CB-CD2 4.43Å; E145-F179 HydrophobicContact CB-CE1 3.7Å; E145-F179 HydrophobicContact CB-CE2 4.07Å; E145-F179 HydrophobicContact CB-CG 4.46Å; E145-F179 HydrophobicContact CB-CZ 3.7Å; E145-F179 HydrophobicContact CG-CD1 4.2Å; E145-F179 HydrophobicContact CG-CE1 3.99Å; E145-F179 HydrophobicContact CG-CZ 4.48Å; E145-F179 VanDerWaalsContact N-CE2 3.31Å; R167-F179 VanDerWaalsContact NH2-CE1 3.27Å; F179-Y181 HydrophobicContact CB-CE2 3.54Å; F179-Y181 WeakPolarHBondContact CB-OH 3.27Å
180	S	84.3	Confident	71.4	Confident	8 Å²	8	82.5 Å²	82.5	6%	0.056	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.3	177.4	-62.3	0	0	0	0	111.7	V140 L168	V140-S180 CarbonylContact O-C 3.54Å; V140-S180 WeakPolarHBondContact O-CA 3.45Å; L168-S180 PolarHBondContact N-O 3Å
181	Y	85.2	Confident	72.4	Confident	5 Å²	5	79.5 Å²	79.5	2%	0.02	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139.7	-179.1	-57.1	-86.7	0	0	0	110.5	I139 V140 C142 F146 V165 V166 R167 F179	I139-Y181 CarbonylContact C-O 3.57Å; I139-Y181 VanDerWaalsContact CA-O 3.29Å; I139-Y181 WeakPolarHBondContact CA-O 3.32Å; V140-Y181 PolarHBondContact N-O 3.04Å; V140-Y181 PolarHBondContact O-N 3.36Å; C142-Y181 HydrophobicContact CB-CE2 4.31Å; F146-Y181 HydrophobicContact CB-CE1 4.23Å; F146-Y181 HydrophobicContact CB-CE2 4.18Å; F146-Y181 PolarHBondContact N-OH 3.29Å; V165-Y181 HydrophobicContact CG1-CD1 3.84Å; V165-Y181 HydrophobicContact CG1-CG 4.24Å; V166-Y181 CarbonylContact O-C 3.6Å; V166-Y181 VanDerWaalsContact O-CA 3.26Å; V166-Y181 WeakPolarHBondContact O-CA 3.27Å; R167-Y181 HydrophobicContact CB-CD1 4.05Å; R167-Y181 HydrophobicContact CB-CE1 4.01Å; R167-Y181 HydrophobicContact CG-CD1 4.3Å; R167-Y181 HydrophobicContact CG-CE1 3.96Å; F179-Y181 HydrophobicContact CB-CE2 3.54Å; F179-Y181 WeakPolarHBondContact CB-OH 3.27Å
182	L	87.1	Confident	73.4	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.005	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	120	162.2	178.6	63.9	0	0	0	108.2	F116 I139 V166 L168 I204 I206 F216 A220	F116-L182 HydrophobicContact CE1-CD2 4.49Å; F116-L182 HydrophobicContact CZ-CD2 4.39Å; I139-L182 HydrophobicContact CG1-CD1 4.37Å; V166-L182 PolarHBondContact N-O 3.44Å; V166-L182 PolarHBondContact O-N 3.25Å; L168-L182 HydrophobicContact CD1-CB 4.26Å; L168-L182 HydrophobicContact CD2-CB 4.14Å; L168-L182 HydrophobicContact CG-CB 4.27Å; L182-I204 HydrophobicContact CD1-CB 4.48Å; L182-I204 HydrophobicContact CD1-CD1 3.79Å; L182-I204 HydrophobicContact CD1-CG2 4.45Å; L182-I206 HydrophobicContact CD2-CD1 3.98Å; L182-F216 HydrophobicContact CD2-CZ 4.44Å; L182-F216 HydrophobicContact CG-CE1 4.23Å; L182-F216 HydrophobicContact CG-CZ 4.03Å; L182-A220 HydrophobicContact CD2-CB 3.75Å
183	V	88.7	Confident	75	Confident	8 Å²	8	72.7 Å²	72.7	5%	0.048	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.6	-170.8	-177.4	0	0	0	0	109.8	G137 R138 V140 V165 L187 L192	G137-V183 CarbonylContact C-O 3.54Å; G137-V183 VanDerWaalsContact CA-O 3.24Å; G137-V183 WeakPolarHBondContact CA-O 3.22Å; R138-V183 PolarHBondContact N-O 2.84Å; R138-V183 PolarHBondContact O-N 2.72Å; V140-V183 HydrophobicContact CB-CG2 4.19Å; V140-V183 HydrophobicContact CG2-CB 4.16Å; V140-V183 HydrophobicContact CG2-CG2 3.82Å; V165-V183 HydrophobicContact CG1-CG2 4.31Å; V165-V183 HydrophobicContact CG2-CG1 4.29Å; V165-V183 HydrophobicContact CG2-CG2 4.39Å; V183-L187 HydrophobicContact CG1-CB 3.83Å; V183-L187 HydrophobicContact CG1-CD2 3.46Å; V183-L187 VanDerWaalsContact CG1-CD2 3.46Å; V183-L187 HydrophobicContact CG1-CG 4.27Å; V183-L192 HydrophobicContact CG1-CD1 4.42Å; V183-L192 HydrophobicContact CG2-CD2 4.25Å
184	S	90	Very high	76.7	Confident	4 Å²	4	69.3 Å²	69.3	3%	0.028	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	135.9	170.9	177.4	0	0	0	0	110.4	K164 R186 L187	K164-S184 PolarHBondContact O-N 3.02Å; S184-R186 PolarHBondContact O-N 2.87Å; S184-R186 VanDerWaalsContact O-N 3.09Å; S184-R186 PolarHBondContact OG-N 2.62Å; S184-L187 WeakPolarHBondContact O-CB 3.42Å; S184-L187 PolarHBondContact O-N 3.22Å
185	T	86.8	Confident	78.6	Confident	58 Å²	58	65.5 Å²	65.5	36%	0.356	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-11.1	174.2	63	0	0	0	0	113.1	P136 R138 L187	P136-T185 HydrophobicContact CB-CG2 4.03Å; P136-T185 HydrophobicContact CG-CG2 4.49Å; P136-T185 WeakPolarHBondContact CG-OG1 3.42Å; P136-T185 PolarHBondContact O-N 3.4Å; P136-T185 PolarHBondContact O-OG1 3.41Å; R138-T185 HydrophobicContact CG-CG2 3.92Å; T185-L187 VanDerWaalsContact C-N 3.26Å
186	R	85.3	Confident	80.3	Confident	153 Å²	153	62.1 Å²	62.1	58%	0.577	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	5	171.2	-52.1	-169.4	-167.4	-147.1	4.2	113.2	E135 K164 S184	E135-R186 IonicContact OE1-CZ 2.77Å; E135-R186 IonicContact OE1-NE 3.06Å; E135-R186 IonicContact OE1-NH2 2.7Å; E135-R186 PolarHBondContact OE1-NH2 3.29Å; E135-R186 IonicContact OE2-CZ 2.67Å; E135-R186 IonicContact OE2-NE 3.75Å; E135-R186 PolarHBondContact OE2-NE 2.98Å; E135-R186 IonicContact OE2-NH2 2.95Å; E135-R186 PolarHBondContact OE2-NH2 2.95Å; K164-R186 PolarHBondContact NZ-O 3.41Å; S184-R186 PolarHBondContact O-N 2.87Å; S184-R186 VanDerWaalsContact O-N 3.09Å; S184-R186 PolarHBondContact OG-N 2.62Å
187	L	83.1	Confident	81.8	Confident	19 Å²	19	61 Å²	61	10%	0.099	30%	0.302	C	S	.	.	S	Bend	trans	-87.8	128.9	169.2	-172.8	71	0	0	0	108.9	I161 K164 V165 V183 S184 T185 A191 L192	I161-L187 HydrophobicContact CG1-CD1 4.29Å; I161-L187 HydrophobicContact CG2-CD1 4.12Å; K164-L187 HydrophobicContact CB-CB 4.41Å; K164-L187 HydrophobicContact CB-CD1 4.23Å; K164-L187 HydrophobicContact CD-CB 4.24Å; K164-L187 HydrophobicContact CD-CD1 3.98Å; V165-L187 HydrophobicContact CG2-CD2 3.54Å; V183-L187 HydrophobicContact CG1-CB 3.83Å; V183-L187 HydrophobicContact CG1-CD2 3.46Å; V183-L187 VanDerWaalsContact CG1-CD2 3.46Å; V183-L187 HydrophobicContact CG1-CG 4.27Å; S184-L187 WeakPolarHBondContact O-CB 3.42Å; S184-L187 PolarHBondContact O-N 3.22Å; T185-L187 VanDerWaalsContact C-N 3.26Å; L187-A191 HydrophobicContact CD1-CB 3.81Å; L187-A191 HydrophobicContact CD2-CB 4.18Å; L187-A191 HydrophobicContact CG-CB 3.92Å; L187-L192 HydrophobicContact CD2-CD2 3.94Å; L187-L192 HydrophobicContact CD2-CG 4.13Å
188	Y	80	Confident	82.7	Confident	118 Å²	118	60.8 Å²	60.8	46%	0.463	30%	0.297	S	S	.	.			trans	-66.7	139.6	175.5	-68.2	-78.8	0	0	0	111.2	I154 Y190 A191	I154-Y188 HydrophobicContact CG2-CD2 3.91Å; I154-Y188 HydrophobicContact CG2-CE2 3.74Å; Y188-Y190 AromaticContact CD1-CE1 3.88Å; Y188-Y190 HydrophobicContact CD1-CE1 3.88Å; Y188-Y190 HydrophobicContact CD2-CE1 4.23Å; Y188-Y190 AromaticContact CD2-CZ 3.89Å; Y188-Y190 VanDerWaalsContact CD2-OH 3.24Å; Y188-Y190 WeakPolarHBondContact CD2-OH 3.22Å; Y188-Y190 HydrophobicContact CG-CD1 4.42Å; Y188-Y190 AromaticContact CG-CE1 3.54Å; Y188-Y190 HydrophobicContact CG-CE1 3.54Å; Y188-Y190 AromaticContact CG-CZ 3.65Å; Y188-Y190 PolarHBondContact O-N 2.89Å; Y188-A191 VanDerWaalsContact O-CB 3.23Å; Y188-A191 WeakPolarHBondContact O-CB 3.48Å; Y188-A191 PolarHBondContact O-N 3.35Å
189	L	72.4	Confident	83	Confident	135 Å²	135	60.8 Å²	60.8	71%	0.707	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-56.6	-36.4	-175.4	-169.4	68	0	0	0	113	A191 L192	L189-A191 PolarHBondContact O-N 3.35Å; L189-A191 VanDerWaalsContact O-N 3.15Å; L189-L192 PolarHBondContact O-N 3.37Å
190	Y	77.9	Confident	82.9	Confident	140 Å²	140	59 Å²	59	55%	0.549	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-66.6	-12.6	178.6	62.9	-106.6	0	0	0	114.2	I154 Y188	I154-Y190 HydrophobicContact CD1-CE2 3.81Å; I154-Y190 HydrophobicContact CG1-CE2 4.23Å; I154-Y190 WeakPolarHBondContact CG2-OH 3.33Å; Y188-Y190 AromaticContact CD1-CE1 3.88Å; Y188-Y190 HydrophobicContact CD1-CE1 3.88Å; Y188-Y190 HydrophobicContact CD2-CE1 4.23Å; Y188-Y190 AromaticContact CD2-CZ 3.89Å; Y188-Y190 VanDerWaalsContact CD2-OH 3.24Å; Y188-Y190 WeakPolarHBondContact CD2-OH 3.22Å; Y188-Y190 HydrophobicContact CG-CD1 4.42Å; Y188-Y190 AromaticContact CG-CE1 3.54Å; Y188-Y190 HydrophobicContact CG-CE1 3.54Å; Y188-Y190 AromaticContact CG-CZ 3.65Å; Y188-Y190 PolarHBondContact O-N 2.89Å
191	A	79	Confident	82.3	Confident	13 Å²	13	67.1 Å²	67.1	11%	0.107	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-75.7	-15.5	174.1	0	0	0	0	0	112.1	F146 I161 L187 Y188 L189	F146-A191 WeakPolarHBondContact CE2-O 3.24Å; F146-A191 WeakPolarHBondContact CZ-O 3.32Å; I161-A191 HydrophobicContact CD1-CB 4.02Å; I161-A191 HydrophobicContact CG1-CB 4.47Å; L187-A191 HydrophobicContact CD1-CB 3.81Å; L187-A191 HydrophobicContact CD2-CB 4.18Å; L187-A191 HydrophobicContact CG-CB 3.92Å; Y188-A191 VanDerWaalsContact O-CB 3.23Å; Y188-A191 WeakPolarHBondContact O-CB 3.48Å; Y188-A191 PolarHBondContact O-N 3.35Å; L189-A191 PolarHBondContact O-N 3.35Å; L189-A191 VanDerWaalsContact O-N 3.15Å
192	L	78.4	Confident	81.8	Confident	16 Å²	16	67.9 Å²	67.9	8%	0.084	34%	0.339	C	S	.	.	S	Bend	trans	-97.1	152.5	177.5	-61.1	169.3	0	0	0	110.3	V140 V183 L187 L189 C196	V140-L192 HydrophobicContact CG1-CD1 4.27Å; V140-L192 HydrophobicContact CG2-CD1 4.24Å; V183-L192 HydrophobicContact CG1-CD1 4.42Å; V183-L192 HydrophobicContact CG2-CD2 4.25Å; L187-L192 HydrophobicContact CD2-CD2 3.94Å; L187-L192 HydrophobicContact CD2-CG 4.13Å; L189-L192 PolarHBondContact O-N 3.37Å; L192-C196 HydrophobicContact CB-CB 4.27Å
193	P	80.9	Confident	81.6	Confident	33 Å²	33	71.3 Å²	71.3	21%	0.214	36%	0.358	C	S	.	.			trans	-51.6	143.5	168.9	-26.1	31.6	0	0	0	112.4	F146 D195 C196	F146-P193 HydrophobicContact CB-CG 4.18Å; F146-P193 VanDerWaalsContact CD2-CD 3.45Å; F146-P193 HydrophobicContact CD2-CG 3.81Å; F146-P193 HydrophobicContact CG-CG 4.36Å; P193-D195 WeakPolarHBondContact CB-OD1 3.42Å; P193-D195 PolarHBondContact O-N 2.91Å; P193-D195 VanDerWaalsContact O-N 3.15Å; P193-C196 WeakPolarHBondContact CD-SG 3.41Å; P193-C196 WeakPolarHBondContact O-CB 3.34Å; P193-C196 PolarHBondContact O-N 3.49Å; P193-C196 PolarHBondContact O-SG 3.36Å
194	L	81.8	Confident	81.3	Confident	180 Å²	180	71 Å²	71	94%	0.942	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.6	-175.5	-68.7	171.7	0	0	0	113.6	C196	L194-C196 VanDerWaalsContact C-N 3.29Å
195	D	84.3	Confident	81	Confident	55 Å²	55	72.2 Å²	72.2	29%	0.294	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	0.7	177.7	61.8	-58.3	0	0	0	113.7	S143 K144 P193	S143-D195 VanDerWaalsContact CA-OD2 3.22Å; S143-D195 WeakPolarHBondContact CA-OD2 3.34Å; S143-D195 WeakPolarHBondContact CB-OD2 3.47Å; S143-D195 PolarHBondContact N-OD2 3.38Å; S143-D195 PolarHBondContact OG-OD2 3.01Å; K144-D195 PolarHBondContact N-OD2 3.48Å; K144-D195 VanDerWaalsContact N-OD2 3.14Å; P193-D195 WeakPolarHBondContact CB-OD1 3.42Å; P193-D195 PolarHBondContact O-N 2.91Å; P193-D195 VanDerWaalsContact O-N 3.15Å
196	C	86.2	Confident	80.9	Confident	22 Å²	22	69.5 Å²	69.5	15%	0.149	35%	0.347	C	S	.	.			trans	-76.1	130.5	179.1	-69.1	0	0	0	0	112.4	V140 R141 C142 L192 P193 L194	V140-C196 HydrophobicContact CG1-CB 3.53Å; R141-C196 CarbonylContact O-C 3.49Å; R141-C196 WeakPolarHBondContact O-CA 3.37Å; C142-C196 HydrophobicContact CB-CB 4.1Å; C142-C196 WeakPolarHBondContact CB-SG 3.49Å; C142-C196 WeakPolarHBondContact SG-CB 3.34Å; C142-C196 CovalentContact SG-SG 2.03Å; C142-C196 PolarHBondContact SG-SG 3.38Å; L192-C196 HydrophobicContact CB-CB 4.27Å; P193-C196 WeakPolarHBondContact CD-SG 3.41Å; P193-C196 WeakPolarHBondContact O-CB 3.34Å; P193-C196 PolarHBondContact O-N 3.49Å; P193-C196 PolarHBondContact O-SG 3.36Å; L194-C196 VanDerWaalsContact C-N 3.29Å
197	M	85.5	Confident	81	Confident	120 Å²	120	62.3 Å²	62.3	59%	0.591	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.6	175.8	-59.8	-172.3	-64.2	0	0	111.4	V140 R141 V199	V140-M197 CarbonylContact C-O 3.53Å; V140-M197 WeakPolarHBondContact CA-O 3.37Å; R141-M197 PolarHBondContact N-O 3.49Å; R141-M197 PolarHBondContact O-N 3.38Å; M197-V199 PolarHBondContact O-N 3.15Å
198	V	84.5	Confident	81.2	Confident	69 Å²	69	62.9 Å²	62.9	42%	0.418	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	123.2	172.9	179.9	0	0	0	0	109	R138 I139 V140	R138-V198 HydrophobicContact CB-CG1 4.36Å; I139-V198 WeakPolarHBondContact O-CA 3.29Å; V140-V198 HydrophobicContact CG2-CG2 4.35Å
199	V	81.6	Confident	81.2	Confident	64 Å²	64	57.4 Å²	57.4	39%	0.388	30%	0.302	S	S	.	.			trans	-106.9	-15.6	179.2	-64.9	0	0	0	0	113.2	I139 R141 M197	I139-V199 HydrophobicContact CB-CG2 3.85Å; I139-V199 HydrophobicContact CG2-CG2 3.4Å; I139-V199 WeakPolarHBondContact O-CG2 3.5Å; I139-V199 PolarHBondContact O-N 3.35Å; R141-V199 HydrophobicContact CB-CG1 3.62Å; R141-V199 HydrophobicContact CB-CG2 4.31Å; M197-V199 PolarHBondContact O-N 3.15Å
200	S	78.2	Confident	81.2	Confident	17 Å²	17	60 Å²	60	12%	0.119	30%	0.304	C	S	.	.			trans	-75.2	128.8	174.1	54.7	0	0	0	0	111.2	I139 G202	I139-S200 PolarHBondContact N-OG 2.94Å; I139-S200 PolarHBondContact O-N 3.36Å; S200-G202 VanDerWaalsContact C-N 3.3Å; S200-G202 PolarHBondContact O-N 3.39Å
201	K	71.7	Confident	80.8	Confident	180 Å²	180	58.3 Å²	58.3	78%	0.783	31%	0.308	S	S	*	.	S	Bend	trans	-66.5	-26.1	177.5	-67.7	-174.8	179.5	-179.8	0	114.1
202	G	75.2	Confident	80.5	Confident	20 Å²	20	60.3 Å²	60.3	21%	0.206	33%	0.325	C	S	.	.	S	Bend	trans	-145.2	178.8	-178.2	0	0	0	0	0	112.6	S200	S200-G202 VanDerWaalsContact C-N 3.3Å; S200-G202 PolarHBondContact O-N 3.39Å
203	N	82.3	Confident	80.5	Confident	73 Å²	73	62.8 Å²	62.8	39%	0.39	36%	0.355	S	S	.	.			trans	-73.7	136.2	174.8	-68.2	-18.1	0	0	0	110.2	P136 R138 P205	P136-N203 HydrophobicContact CB-CB 4.02Å; R138-N203 PolarHBondContact NE-OD1 2.86Å; R138-N203 PolarHBondContact NH2-OD1 2.95Å; N203-P205 WeakPolarHBondContact O-CD 3.5Å
204	I	81.4	Confident	80.7	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.015	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	113.2	174.8	-67.9	162.4	0	0	0	107.6	F83 F116 G137 I139 L182 I206	F83-I204 HydrophobicContact CE1-CG2 3.93Å; F83-I204 HydrophobicContact CE2-CG2 4.17Å; F83-I204 HydrophobicContact CZ-CG2 3.71Å; F116-I204 HydrophobicContact CB-CD1 4.06Å; F116-I204 HydrophobicContact CD1-CB 4.29Å; F116-I204 HydrophobicContact CD1-CD1 3.6Å; F116-I204 HydrophobicContact CD1-CG1 3.94Å; F116-I204 HydrophobicContact CD1-CG2 3.39Å; F116-I204 HydrophobicContact CE1-CD1 4.48Å; F116-I204 HydrophobicContact CE1-CG2 3.39Å; F116-I204 HydrophobicContact CG-CD1 4.13Å; G137-I204 PolarHBondContact N-O 3.21Å; G137-I204 WeakPolarHBondContact O-CB 3.33Å; G137-I204 PolarHBondContact O-N 3.46Å; I139-I204 HydrophobicContact CD1-CD1 3.81Å; I139-I204 HydrophobicContact CG1-CD1 3.55Å; L182-I204 HydrophobicContact CD1-CB 4.48Å; L182-I204 HydrophobicContact CD1-CD1 3.79Å; L182-I204 HydrophobicContact CD1-CG2 4.45Å; I204-I206 HydrophobicContact CG2-CD1 3.7Å; I204-I206 HydrophobicContact CG2-CG1 4.48Å; I204-I206 PolarHBondContact O-N 2.92Å
205	P	83.9	Confident	81	Confident	29 Å²	29	56.4 Å²	56.4	19%	0.188	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	108.9	-178.9	29.3	-32.3	0	0	0	111	F83 T134 N203	F83-P205 HydrophobicContact CB-CG 3.96Å; F83-P205 HydrophobicContact CD1-CG 4.45Å; F83-P205 HydrophobicContact CD2-CG 4.22Å; F83-P205 HydrophobicContact CG-CG 3.9Å; T134-P205 HydrophobicContact CG2-CB 3.72Å; N203-P205 WeakPolarHBondContact O-CD 3.5Å
206	I	85.9	Confident	81.2	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	121	175	-53.6	-59.6	0	0	0	108.9	T134 E135 L182 I204 N208 F216 M219 I223	T134-I206 CarbonylContact C-O 3.55Å; T134-I206 WeakPolarHBondContact CA-O 3.38Å; E135-I206 PolarHBondContact N-O 3.03Å; E135-I206 VanDerWaalsContact O-CB 3.29Å; E135-I206 WeakPolarHBondContact O-CB 3.34Å; E135-I206 PolarHBondContact O-N 3.4Å; L182-I206 HydrophobicContact CD2-CD1 3.98Å; I204-I206 HydrophobicContact CG2-CD1 3.7Å; I204-I206 HydrophobicContact CG2-CG1 4.48Å; I204-I206 PolarHBondContact O-N 2.92Å; I206-N208 PolarHBondContact O-N 2.96Å; I206-F216 HydrophobicContact CB-CE2 4.35Å; I206-F216 HydrophobicContact CG1-CE2 3.74Å; I206-F216 HydrophobicContact CG1-CZ 4.15Å; I206-M219 HydrophobicContact CG2-CB 3.61Å; I206-I223 HydrophobicContact CD1-CD1 3.72Å; I206-I223 HydrophobicContact CG2-CD1 3.98Å
207	P	87	Confident	81.3	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.019	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	131.1	179.1	-23.2	34.3	0	0	0	112.5	Y132 I229 L231	Y132-P207 HydrophobicContact CD2-CB 3.89Å; Y132-P207 HydrophobicContact CD2-CG 4.43Å; Y132-P207 HydrophobicContact CE2-CB 3.6Å; Y132-P207 HydrophobicContact CE2-CG 3.66Å; P207-I229 HydrophobicContact CB-CG2 4.03Å; P207-I229 HydrophobicContact CG-CG2 4.22Å; P207-L231 HydrophobicContact CB-CD2 3.59Å; P207-L231 HydrophobicContact CG-CD2 3.95Å
208	N	86.3	Confident	81.4	Confident	30 Å²	30	55 Å²	55	16%	0.16	31%	0.307	C	S	.	.			trans	-119	98.4	-178.1	-175.8	4.1	0	0	0	112	L133 E135 I206 Y210 M219	L133-N208 PolarHBondContact O-N 2.99Å; E135-N208 HydrophobicContact CG-CB 4Å; E135-N208 WeakPolarHBondContact CG-ND2 3.44Å; E135-N208 PolarHBondContact OE1-ND2 3.29Å; I206-N208 PolarHBondContact O-N 2.96Å; N208-Y210 PolarHBondContact O-N 3.49Å; N208-Y210 VanDerWaalsContact O-N 3.15Å; N208-M219 VanDerWaalsContact CA-SD 3.54Å; N208-M219 HydrophobicContact CB-CE 4.24Å; N208-M219 HydrophobicContact CB-SD 3.86Å
209	P	81.4	Confident	81.7	Confident	4 Å²	4	52.1 Å²	52.1	3%	0.026	29%	0.29	C	S	.	.			trans	-75.7	99.2	171.1	29.5	-30.5	0	0	0	109.9	T211 A212 L214 T230 D232	P209-T211 PolarHBondContact O-N 3.14Å; P209-T211 VanDerWaalsContact O-N 3.13Å; P209-A212 HydrophobicContact CB-CB 4.11Å; P209-A212 HydrophobicContact CG-CB 3.96Å; P209-A212 PolarHBondContact O-N 3.48Å; P209-L214 HydrophobicContact CG-CD1 4.03Å; P209-T230 HydrophobicContact CB-CG2 4.4Å; P209-D232 WeakPolarHBondContact CA-OD2 3.06Å
210	Y	72.9	Confident	81.8	Confident	189 Å²	189	49.1 Å²	49.1	74%	0.741	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-54.2	-34.5	178.7	-172.8	-94.5	0	0	0	111.7	N208 A212 D232	N208-Y210 PolarHBondContact O-N 3.49Å; N208-Y210 VanDerWaalsContact O-N 3.15Å; Y210-A212 VanDerWaalsContact C-N 3.27Å; Y210-A212 PolarHBondContact O-N 2.99Å; Y210-D232 PolarHBondContact N-OD2 3.41Å
211	T	68.7	Low	82.2	Confident	104 Å²	104	51.5 Å²	51.5	64%	0.638	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-68.4	-20.7	-180	56.6	0	0	0	0	114.4	P209 D232	P209-T211 PolarHBondContact O-N 3.14Å; P209-T211 VanDerWaalsContact O-N 3.13Å; T211-D232 PolarHBondContact N-OD2 3.06Å; T211-D232 PolarHBondContact OG1-OD1 3.47Å; T211-D232 PolarHBondContact OG1-OD2 3.18Å
212	A	72.7	Confident	82.9	Confident	55 Å²	55	47.4 Å²	47.4	46%	0.455	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-98.4	-15.3	-174.5	0	0	0	0	0	114.3	P209 Y210 L214	P209-A212 HydrophobicContact CB-CB 4.11Å; P209-A212 HydrophobicContact CG-CB 3.96Å; P209-A212 PolarHBondContact O-N 3.48Å; Y210-A212 VanDerWaalsContact C-N 3.27Å; Y210-A212 PolarHBondContact O-N 2.99Å; A212-L214 VanDerWaalsContact C-N 3.3Å; A212-L214 HydrophobicContact CB-CD1 4.24Å; A212-L214 HydrophobicContact CB-CG 3.94Å; A212-L214 PolarHBondContact O-N 3.42Å
213	G	79	Confident	83.1	Confident	69 Å²	69	46.6 Å²	46.6	71%	0.711	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	31.7	177.6	0	0	0	0	0	114.8
214	L	84.7	Confident	82.9	Confident	43 Å²	43	44.7 Å²	44.7	23%	0.225	24%	0.241	C	C	.	.			trans	-77.3	148.2	-177.2	-63.3	176.5	0	0	0	112.4	P209 A212 Q218 M219	P209-L214 HydrophobicContact CG-CD1 4.03Å; A212-L214 VanDerWaalsContact C-N 3.3Å; A212-L214 HydrophobicContact CB-CD1 4.24Å; A212-L214 HydrophobicContact CB-CG 3.94Å; A212-L214 PolarHBondContact O-N 3.42Å; L214-Q218 HydrophobicContact CB-CB 4.4Å; L214-Q218 HydrophobicContact CD2-CB 4.48Å; L214-M219 HydrophobicContact CB-CG 3.71Å; L214-M219 HydrophobicContact CB-SD 4.35Å; L214-M219 HydrophobicContact CD1-CG 4.24Å
215	T	87.8	Confident	82.8	Confident	36 Å²	36	50 Å²	50	22%	0.221	27%	0.269	C	S	.	.			trans	-77.7	159	172.1	71.7	0	0	0	0	111.6	D163 K217 Q218 M219	D163-T215 HydrophobicContact CB-CG2 4.1Å; T215-K217 VanDerWaalsContact C-N 3.25Å; T215-K217 PolarHBondContact O-N 3.46Å; T215-Q218 PolarHBondContact O-N 3.48Å; T215-Q218 VanDerWaalsContact O-N 3.11Å; T215-Q218 WeakPolarHBondContact OG1-CG 3.3Å; T215-Q218 PolarHBondContact OG1-N 2.91Å; T215-M219 WeakPolarHBondContact O-CG 3.09Å; T215-M219 PolarHBondContact O-N 3.16Å
216	F	88.1	Confident	82.6	Confident	13 Å²	13	50.2 Å²	50.2	6%	0.057	27%	0.271	C	S	.	.	H	α-helix	trans	-55.2	-43.2	177.3	175.8	-89.8	0	0	0	111.8	E135 D163 K164 L182 I206 M219 A220	E135-F216 HydrophobicContact CB-CD2 4.13Å; D163-F216 WeakPolarHBondContact O-CB 3.28Å; D163-F216 PolarHBondContact O-N 3.23Å; K164-F216 WeakPolarHBondContact O-CD1 3.5Å; L182-F216 HydrophobicContact CD2-CZ 4.44Å; L182-F216 HydrophobicContact CG-CE1 4.23Å; L182-F216 HydrophobicContact CG-CZ 4.03Å; I206-F216 HydrophobicContact CB-CE2 4.35Å; I206-F216 HydrophobicContact CG1-CE2 3.74Å; I206-F216 HydrophobicContact CG1-CZ 4.15Å; F216-M219 HydrophobicContact CB-CE 4.49Å; F216-M219 PolarHBondContact O-N 2.6Å; F216-A220 WeakPolarHBondContact O-CB 3.1Å; F216-A220 PolarHBondContact O-N 2.91Å
217	K	87.5	Confident	82.6	Confident	68 Å²	68	51.9 Å²	51.9	30%	0.296	29%	0.285	S	S	.	.	H	α-helix	trans	-56.7	-50.6	174.7	171.2	167.4	177.8	-172.8	0	112.1	A162 D163 V166 T215 M219 A220 E221	A162-K217 WeakPolarHBondContact O-CD 3.48Å; D163-K217 WeakPolarHBondContact O-CB 3.27Å; D163-K217 PolarHBondContact O-N 3.05Å; V166-K217 HydrophobicContact CG2-CB 3.98Å; V166-K217 HydrophobicContact CG2-CG 3.91Å; T215-K217 VanDerWaalsContact C-N 3.25Å; T215-K217 PolarHBondContact O-N 3.46Å; K217-M219 VanDerWaalsContact C-N 3.31Å; K217-M219 PolarHBondContact O-N 3.46Å; K217-A220 PolarHBondContact O-N 2.81Å; K217-E221 WeakPolarHBondContact CE-OE1 3.48Å; K217-E221 HydrophobicContact CG-CG 4.25Å; K217-E221 IonicContact NZ-OE1 2.64Å; K217-E221 WeakPolarHBondContact O-CB 3.36Å; K217-E221 VanDerWaalsContact O-CG 3.28Å; K217-E221 WeakPolarHBondContact O-CG 3.42Å; K217-E221 PolarHBondContact O-N 3.48Å
218	Q	89.1	Confident	82.7	Confident	85 Å²	85	54.5 Å²	54.5	40%	0.397	30%	0.297	S	S	.	.	H	α-helix	trans	-61.4	-39.3	179.7	-71.1	171	-27.8	0	0	112.5	L214 T215 R222	L214-Q218 HydrophobicContact CB-CB 4.4Å; L214-Q218 HydrophobicContact CD2-CB 4.48Å; T215-Q218 PolarHBondContact O-N 3.48Å; T215-Q218 VanDerWaalsContact O-N 3.11Å; T215-Q218 WeakPolarHBondContact OG1-CG 3.3Å; T215-Q218 PolarHBondContact OG1-N 2.91Å; Q218-R222 WeakPolarHBondContact O-CG 3.34Å; Q218-R222 PolarHBondContact O-N 2.52Å; Q218-R222 VanDerWaalsContact O-N 3.15Å
219	M	89.4	Confident	82.9	Confident	10 Å²	10	53.5 Å²	53.5	5%	0.049	29%	0.291	C	S	.	.	H	α-helix	trans	-67.8	-45	178.1	-63.8	-174.4	-62.1	0	0	111.7	E135 I206 N208 L214 T215 F216 K217 R222 I223	E135-M219 HydrophobicContact CB-CE 4.15Å; E135-M219 HydrophobicContact CG-CE 3.87Å; I206-M219 HydrophobicContact CG2-CB 3.61Å; N208-M219 VanDerWaalsContact CA-SD 3.54Å; N208-M219 HydrophobicContact CB-CE 4.24Å; N208-M219 HydrophobicContact CB-SD 3.86Å; L214-M219 HydrophobicContact CB-CG 3.71Å; L214-M219 HydrophobicContact CB-SD 4.35Å; L214-M219 HydrophobicContact CD1-CG 4.24Å; T215-M219 WeakPolarHBondContact O-CG 3.09Å; T215-M219 PolarHBondContact O-N 3.16Å; F216-M219 HydrophobicContact CB-CE 4.49Å; F216-M219 PolarHBondContact O-N 2.6Å; K217-M219 VanDerWaalsContact C-N 3.31Å; K217-M219 PolarHBondContact O-N 3.46Å; M219-R222 PolarHBondContact O-N 3.43Å; M219-I223 PolarHBondContact O-N 2.67Å
220	A	85.3	Confident	83.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.2	-42.8	176.4	0	0	0	0	0	112	V166 L182 F216 K217 R222 I223 I224	V166-A220 HydrophobicContact CG2-CB 3.79Å; L182-A220 HydrophobicContact CD2-CB 3.75Å; F216-A220 WeakPolarHBondContact O-CB 3.1Å; F216-A220 PolarHBondContact O-N 2.91Å; K217-A220 PolarHBondContact O-N 2.81Å; A220-R222 VanDerWaalsContact C-N 3.29Å; A220-R222 PolarHBondContact O-N 3.37Å; A220-I223 WeakPolarHBondContact O-CB 3.37Å; A220-I223 PolarHBondContact O-N 3.06Å; A220-I223 VanDerWaalsContact O-N 3.13Å; A220-I224 WeakPolarHBondContact O-CB 3.13Å; A220-I224 VanDerWaalsContact O-CG1 3.26Å; A220-I224 WeakPolarHBondContact O-CG1 3.38Å; A220-I224 PolarHBondContact O-N 3.45Å
221	E	85.9	Confident	84.1	Confident	67 Å²	67	45.9 Å²	45.9	31%	0.313	26%	0.264	S	S	.	.	H	α-helix	trans	-61.2	-35.2	177	-77.6	175.3	164.3	0	0	112.4	V166 K217 I223 I224 N225	V166-E221 HydrophobicContact CG1-CG 4.17Å; K217-E221 WeakPolarHBondContact CE-OE1 3.48Å; K217-E221 HydrophobicContact CG-CG 4.25Å; K217-E221 IonicContact NZ-OE1 2.64Å; K217-E221 WeakPolarHBondContact O-CB 3.36Å; K217-E221 VanDerWaalsContact O-CG 3.28Å; K217-E221 WeakPolarHBondContact O-CG 3.42Å; K217-E221 PolarHBondContact O-N 3.48Å; E221-I223 VanDerWaalsContact C-N 3.34Å; E221-I223 PolarHBondContact O-N 2.72Å; E221-I224 PolarHBondContact O-N 3.19Å; E221-N225 VanDerWaalsContact O-CB 3.24Å; E221-N225 WeakPolarHBondContact O-CB 3.41Å; E221-N225 PolarHBondContact O-N 3.44Å; E221-N225 PolarHBondContact O-ND2 2.86Å; E221-N225 VanDerWaalsContact O-ND2 3.16Å
222	R	85.6	Confident	84.9	Confident	95 Å²	95	41.3 Å²	41.3	36%	0.358	24%	0.236	S	C	.	.	H	α-helix	trans	-62.6	-40.5	173.9	-75.6	174.6	178.3	-99.3	-1.2	112.4	Q218 M219 A220 S226 A227 E228 I229	Q218-R222 WeakPolarHBondContact O-CG 3.34Å; Q218-R222 PolarHBondContact O-N 2.52Å; Q218-R222 VanDerWaalsContact O-N 3.15Å; M219-R222 PolarHBondContact O-N 3.43Å; A220-R222 VanDerWaalsContact C-N 3.29Å; A220-R222 PolarHBondContact O-N 3.37Å; R222-S226 PolarHBondContact O-N 2.95Å; R222-A227 HydrophobicContact CB-CB 4.17Å; R222-A227 HydrophobicContact CG-CB 4.18Å; R222-A227 PolarHBondContact O-N 2.98Å; R222-E228 PolarHBondContact NH1-O 2.79Å; R222-I229 HydrophobicContact CB-CG1 4.14Å
223	I	81.2	Confident	85.3	Confident	3 Å²	3	39 Å²	39	2%	0.015	22%	0.216	C	C	.	.	H	α-helix	trans	-65.1	-47.7	174.9	-63.6	165.4	0	0	0	110.5	L84 F116 I206 M219 A220 E221 N225 S226 I229	L84-I223 HydrophobicContact CD2-CD1 4.3Å; L84-I223 HydrophobicContact CD2-CG1 4.22Å; L84-I223 HydrophobicContact CD2-CG2 3.52Å; F116-I223 HydrophobicContact CZ-CG2 4.2Å; I206-I223 HydrophobicContact CD1-CD1 3.72Å; I206-I223 HydrophobicContact CG2-CD1 3.98Å; M219-I223 PolarHBondContact O-N 2.67Å; A220-I223 WeakPolarHBondContact O-CB 3.37Å; A220-I223 PolarHBondContact O-N 3.06Å; A220-I223 VanDerWaalsContact O-N 3.13Å; E221-I223 VanDerWaalsContact C-N 3.34Å; E221-I223 PolarHBondContact O-N 2.72Å; I223-N225 VanDerWaalsContact C-N 3.3Å; I223-N225 PolarHBondContact O-N 3.25Å; I223-S226 PolarHBondContact O-N 3.27Å; I223-I229 HydrophobicContact CB-CD1 4.42Å; I223-I229 HydrophobicContact CG1-CD1 3.58Å
224	I	76.9	Confident	85	Confident	32 Å²	32	39.4 Å²	39.4	16%	0.164	20%	0.202	C	C	.	.	H	α-helix	trans	-58	-44.6	-179.3	-74.2	167.5	0	0	0	110.6	L112 V166 L168 A220 E221 S226	L112-I224 HydrophobicContact CD1-CB 4Å; L112-I224 HydrophobicContact CD1-CG1 4.16Å; L112-I224 HydrophobicContact CD1-CG2 3.44Å; L112-I224 VanDerWaalsContact CD1-CG2 3.44Å; V166-I224 HydrophobicContact CB-CD1 4.44Å; V166-I224 HydrophobicContact CG1-CD1 3.53Å; L168-I224 HydrophobicContact CD2-CD1 4.19Å; A220-I224 WeakPolarHBondContact O-CB 3.13Å; A220-I224 VanDerWaalsContact O-CG1 3.26Å; A220-I224 WeakPolarHBondContact O-CG1 3.38Å; A220-I224 PolarHBondContact O-N 3.45Å; E221-I224 PolarHBondContact O-N 3.19Å; I224-S226 VanDerWaalsContact C-N 3.3Å; I224-S226 PolarHBondContact O-N 2.85Å
225	N	79.3	Confident	84.1	Confident	115 Å²	115	40.7 Å²	40.7	62%	0.615	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	6	-176.4	-63.8	-28.9	0	0	0	113.5	E221 I223 A227	E221-N225 VanDerWaalsContact O-CB 3.24Å; E221-N225 WeakPolarHBondContact O-CB 3.41Å; E221-N225 PolarHBondContact O-N 3.44Å; E221-N225 PolarHBondContact O-ND2 2.86Å; E221-N225 VanDerWaalsContact O-ND2 3.16Å; I223-N225 VanDerWaalsContact C-N 3.3Å; I223-N225 PolarHBondContact O-N 3.25Å; N225-A227 PolarHBondContact O-N 3.41Å; N225-A227 VanDerWaalsContact O-N 3.11Å
226	S	79.5	Confident	83.3	Confident	33 Å²	33	41.5 Å²	41.5	23%	0.231	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	36.4	-172.9	-88.5	0	0	0	0	112.3	I102 P103 R222 I223 I224	I102-S226 WeakPolarHBondContact CG2-O 3.29Å; P103-S226 PolarHBondContact O-OG 3.06Å; P103-S226 VanDerWaalsContact O-OG 3.1Å; R222-S226 PolarHBondContact O-N 2.95Å; I223-S226 PolarHBondContact O-N 3.27Å; I224-S226 VanDerWaalsContact C-N 3.3Å; I224-S226 PolarHBondContact O-N 2.85Å
227	A	85.6	Confident	82.5	Confident	35 Å²	35	44.9 Å²	44.9	29%	0.289	25%	0.249	S	C	.	.			trans	-78.9	166.9	176.3	0	0	0	0	0	110.7	R222 N225 I229	R222-A227 HydrophobicContact CB-CB 4.17Å; R222-A227 HydrophobicContact CG-CB 4.18Å; R222-A227 PolarHBondContact O-N 2.98Å; N225-A227 PolarHBondContact O-N 3.41Å; N225-A227 VanDerWaalsContact O-N 3.11Å; A227-I229 PolarHBondContact O-N 2.99Å
228	E	90.7	Very high	82.1	Confident	59 Å²	59	43.1 Å²	43.1	28%	0.276	24%	0.242	S	C	.	.			trans	-64.3	127.4	173.6	-172.9	175	84.9	0	0	110.8	T90 K100 I101 I102 R222	T90-E228 WeakPolarHBondContact CB-OE2 3.3Å; T90-E228 PolarHBondContact OG1-OE2 2.99Å; K100-E228 HydrophobicContact CB-CG 4.1Å; K100-E228 WeakPolarHBondContact CD-OE1 3.38Å; K100-E228 WeakPolarHBondContact CE-OE1 3.32Å; K100-E228 HydrophobicContact CG-CG 4.49Å; K100-E228 IonicContact NZ-OE1 3.94Å; K100-E228 PolarHBondContact NZ-OE1 3.5Å; I101-E228 WeakPolarHBondContact O-CA 3.39Å; I102-E228 HydrophobicContact CG1-CB 4.06Å; I102-E228 HydrophobicContact CG1-CG 4.36Å; R222-E228 PolarHBondContact NH1-O 2.79Å
229	I	89.4	Confident	81.6	Confident	8 Å²	8	40.2 Å²	40.2	4%	0.041	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	140.4	177.8	-59.4	165.9	0	0	0	108.1	L84 K100 I101 P103 P207 R222 I223 A227 L231	L84-I229 HydrophobicContact CD1-CD1 3.97Å; K100-I229 CarbonylContact C-O 3.46Å; K100-I229 WeakPolarHBondContact CA-O 3.27Å; I101-I229 HydrophobicContact CG1-CB 4.05Å; I101-I229 PolarHBondContact N-O 3.29Å; I101-I229 PolarHBondContact O-N 3.4Å; P103-I229 HydrophobicContact CG-CD1 3.73Å; P207-I229 HydrophobicContact CB-CG2 4.03Å; P207-I229 HydrophobicContact CG-CG2 4.22Å; R222-I229 HydrophobicContact CB-CG1 4.14Å; I223-I229 HydrophobicContact CB-CD1 4.42Å; I223-I229 HydrophobicContact CG1-CD1 3.58Å; A227-I229 PolarHBondContact O-N 2.99Å; I229-L231 HydrophobicContact CG2-CD2 4.1Å
230	T	90.9	Very high	81.1	Confident	32 Å²	32	45.9 Å²	45.9	20%	0.196	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.2	176.8	-57.6	0	0	0	0	108.9	V98 P209	V98-T230 HydrophobicContact CG1-CG2 3.24Å; P209-T230 HydrophobicContact CB-CG2 4.4Å
231	L	88.4	Confident	81.1	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.7	175.2	-54.2	-176.6	0	0	0	109	L79 V98 M99 I101 Y132 P207 I229 L233	L79-L231 HydrophobicContact CD2-CD1 4.07Å; V98-L231 WeakPolarHBondContact CA-O 3.35Å; M99-L231 PolarHBondContact N-O 3.41Å; M99-L231 PolarHBondContact O-N 3.33Å; I101-L231 HydrophobicContact CD1-CD1 3.83Å; I101-L231 HydrophobicContact CD1-CD2 4.27Å; I101-L231 HydrophobicContact CD1-CG 4.16Å; I101-L231 HydrophobicContact CG1-CD1 4.34Å; I101-L231 HydrophobicContact CG1-CG 4.31Å; I101-L231 HydrophobicContact CG2-CD1 4.37Å; Y132-L231 HydrophobicContact CD1-CB 4.4Å; Y132-L231 HydrophobicContact CD1-CD1 4.03Å; Y132-L231 HydrophobicContact CD1-CD2 4.12Å; Y132-L231 HydrophobicContact CD1-CG 4.43Å; Y132-L231 HydrophobicContact CD2-CD2 3.99Å; Y132-L231 HydrophobicContact CE1-CD1 4.2Å; Y132-L231 HydrophobicContact CE1-CD2 4.28Å; Y132-L231 HydrophobicContact CE2-CD2 4.12Å; Y132-L231 HydrophobicContact CG-CB 4.31Å; Y132-L231 HydrophobicContact CG-CD2 4.05Å; P207-L231 HydrophobicContact CB-CD2 3.59Å; P207-L231 HydrophobicContact CG-CD2 3.95Å; I229-L231 HydrophobicContact CG2-CD2 4.1Å; L231-L233 HydrophobicContact CB-CD2 3.98Å
232	D	85.6	Confident	81.1	Confident	8 Å²	8	45.6 Å²	45.6	4%	0.043	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	110.1	171.4	-72.9	-6.9	0	0	0	108.5	Y132 P209 Y210 T211 L234	Y132-D232 WeakPolarHBondContact CA-O 3.49Å; Y132-D232 WeakPolarHBondContact CB-O 3.5Å; P209-D232 WeakPolarHBondContact CA-OD2 3.06Å; Y210-D232 PolarHBondContact N-OD2 3.41Å; T211-D232 PolarHBondContact N-OD2 3.06Å; T211-D232 PolarHBondContact OG1-OD1 3.47Å; T211-D232 PolarHBondContact OG1-OD2 3.18Å; D232-L234 VanDerWaalsContact C-N 3.29Å; D232-L234 PolarHBondContact O-N 2.97Å
233	L	82.1	Confident	81.2	Confident	8 Å²	8	41.7 Å²	41.7	4%	0.042	24%	0.241	C	C	.	.			trans	-94.8	28.8	-171.4	-53.5	172.7	0	0	0	112.5	H52 A97 M99 L131 L231 L235 P239	H52-L233 WeakPolarHBondContact CE1-CD1 3.45Å; H52-L233 VanDerWaalsContact NE2-CD1 3.32Å; H52-L233 WeakPolarHBondContact NE2-CD1 3.37Å; A97-L233 WeakPolarHBondContact O-CB 3.39Å; A97-L233 PolarHBondContact O-N 3.06Å; M99-L233 HydrophobicContact CB-CD1 3.65Å; M99-L233 HydrophobicContact CB-CG 4.35Å; M99-L233 HydrophobicContact CE-CD1 4.17Å; L131-L233 HydrophobicContact CD2-CD2 3.65Å; L131-L233 HydrophobicContact CG-CD2 4.05Å; L231-L233 HydrophobicContact CB-CD2 3.98Å; L233-L235 VanDerWaalsContact C-N 3.29Å; L233-L235 PolarHBondContact O-N 3.37Å; L233-P239 WeakPolarHBondContact O-CB 3.13Å; L233-P239 VanDerWaalsContact O-CG 3.24Å; L233-P239 WeakPolarHBondContact O-CG 3.4Å
234	L	71.1	Confident	81.5	Confident	77 Å²	77	47.7 Å²	47.7	40%	0.403	26%	0.263	S	S	.	.			trans	-84.5	3.8	-171.3	-73.4	165.7	0	0	0	114.3	A97 D232 G236	A97-L234 HydrophobicContact CB-CD2 3.62Å; A97-L234 HydrophobicContact CB-CG 3.97Å; D232-L234 VanDerWaalsContact C-N 3.29Å; D232-L234 PolarHBondContact O-N 2.97Å; L234-G236 PolarHBondContact O-N 3.39Å
235	L	67.8	Low	82	Confident	70 Å²	70	46.3 Å²	46.3	37%	0.366	26%	0.256	S	S	.	.			trans	-77.9	122.7	179.3	-70.5	172.1	0	0	0	110.6	Q130 L133 L233	Q130-L235 HydrophobicContact CB-CD1 4.01Å; Q130-L235 WeakPolarHBondContact O-CD1 3.41Å; L133-L235 HydrophobicContact CD2-CD2 4.33Å; L133-L235 HydrophobicContact CG-CD1 4.33Å; L133-L235 HydrophobicContact CG-CD2 4.4Å; L233-L235 VanDerWaalsContact C-N 3.29Å; L233-L235 PolarHBondContact O-N 3.37Å
236	G	69.6	Low	82.4	Confident	53 Å²	53	41.5 Å²	41.5	55%	0.546	23%	0.23	S	C	.	.	S	Bend	trans	100.7	164	180	0	0	0	0	0	114.6	L234	L234-G236 PolarHBondContact O-N 3.39Å
237	S	72.2	Confident	82.7	Confident	83 Å²	83	46 Å²	46	58%	0.58	25%	0.247	S	C	*	.	H	α-helix	trans	-70	-32.1	-176.6	55.9	0	0	0	0	113.3	N241	S237-N241 WeakPolarHBondContact O-CB 3.45Å; S237-N241 PolarHBondContact O-N 3.27Å; S237-N241 PolarHBondContact O-ND2 3.31Å
238	I	78.3	Confident	82.7	Confident	31 Å²	31	50 Å²	50	16%	0.159	26%	0.26	C	S	.	.	H	α-helix	trans	-69.2	-54.1	-173.8	-68.3	171.3	0	0	0	112.1	F50 P51 S65 Y240 N241 C242 F254 T261	F50-I238 HydrophobicContact CE1-CG2 4.02Å; F50-I238 HydrophobicContact CZ-CG2 3.75Å; P51-I238 HydrophobicContact CB-CG2 3.81Å; S65-I238 WeakPolarHBondContact OG-CD1 3.46Å; I238-Y240 VanDerWaalsContact C-N 3.26Å; I238-Y240 PolarHBondContact O-N 3.46Å; I238-N241 PolarHBondContact O-N 2.92Å; I238-C242 WeakPolarHBondContact O-CB 3.31Å; I238-C242 PolarHBondContact O-N 3.38Å; I238-C242 PolarHBondContact O-SG 3.36Å; I238-C242 VanDerWaalsContact O-SG 3.34Å; I238-F254 HydrophobicContact CD1-CE2 4.48Å; I238-T261 HydrophobicContact CB-CG2 4.15Å; I238-T261 HydrophobicContact CG1-CG2 3.85Å; I238-T261 HydrophobicContact CG2-CG2 3.86Å
239	P	78.2	Confident	82.3	Confident	25 Å²	25	49.9 Å²	49.9	16%	0.162	27%	0.274	C	S	.	.	H	α-helix	trans	-58.3	-38.7	175.8	-24.6	34.8	0	0	0	112.8	L233 C242 T243	L233-P239 WeakPolarHBondContact O-CB 3.13Å; L233-P239 VanDerWaalsContact O-CG 3.24Å; L233-P239 WeakPolarHBondContact O-CG 3.4Å; P239-C242 PolarHBondContact O-N 2.86Å; P239-T243 WeakPolarHBondContact O-CB 3.3Å; P239-T243 PolarHBondContact O-N 3.36Å; P239-T243 PolarHBondContact O-OG1 3.12Å
240	Y	80.4	Confident	82.1	Confident	129 Å²	129	51 Å²	51	51%	0.506	28%	0.279	S	S	.	.	H	α-helix	trans	-60.5	-50.2	177.3	179.4	-97	0	0	0	112.3	I238 C242 T243 R244	I238-Y240 VanDerWaalsContact C-N 3.26Å; I238-Y240 PolarHBondContact O-N 3.46Å; Y240-C242 PolarHBondContact O-N 3.4Å; Y240-T243 WeakPolarHBondContact O-CB 3.26Å; Y240-T243 PolarHBondContact O-N 3.46Å; Y240-R244 PolarHBondContact O-N 2.9Å
241	N	84.5	Confident	81.7	Confident	56 Å²	56	53.1 Å²	53.1	30%	0.299	28%	0.284	S	S	.	.	H	α-helix	trans	-64.2	-41.4	178.4	-71.1	-19.1	0	0	0	111.9	S237 I238 T243 R244 C245 T261	S237-N241 WeakPolarHBondContact O-CB 3.45Å; S237-N241 PolarHBondContact O-N 3.27Å; S237-N241 PolarHBondContact O-ND2 3.31Å; I238-N241 PolarHBondContact O-N 2.92Å; N241-T243 VanDerWaalsContact C-N 3.33Å; N241-T243 PolarHBondContact O-N 2.95Å; N241-R244 WeakPolarHBondContact O-CB 3.48Å; N241-R244 PolarHBondContact O-N 2.75Å; N241-C245 PolarHBondContact O-N 2.87Å; N241-C245 VanDerWaalsContact O-N 3.15Å; N241-C245 PolarHBondContact O-SG 3.16Å; N241-T261 WeakPolarHBondContact CB-OG1 3.43Å; N241-T261 PolarHBondContact ND2-OG1 2.78Å
242	C	87	Confident	81.6	Confident	5 Å²	5	53.2 Å²	53.2	3%	0.034	28%	0.284	C	S	.	.	H	α-helix	trans	-63.1	-40.3	176.9	-69.4	0	0	0	0	112.8	F50 I238 P239 Y240 R244 C245 E246 C252	F50-C242 WeakPolarHBondContact CE1-SG 3.11Å; I238-C242 WeakPolarHBondContact O-CB 3.31Å; I238-C242 PolarHBondContact O-N 3.38Å; I238-C242 PolarHBondContact O-SG 3.36Å; I238-C242 VanDerWaalsContact O-SG 3.34Å; P239-C242 PolarHBondContact O-N 2.86Å; Y240-C242 PolarHBondContact O-N 3.4Å; C242-R244 PolarHBondContact O-N 2.9Å; C242-C245 PolarHBondContact O-N 3.15Å; C242-E246 VanDerWaalsContact O-CG 3.24Å; C242-E246 WeakPolarHBondContact O-CG 3.35Å; C242-E246 PolarHBondContact O-N 3.43Å; C242-C252 WeakPolarHBondContact CA-SG 3.28Å; C242-C252 HydrophobicContact CB-CB 3.39Å; C242-C252 WeakPolarHBondContact CB-SG 3.46Å; C242-C252 WeakPolarHBondContact SG-CB 3.32Å; C242-C252 CovalentContact SG-SG 2.04Å; C242-C252 PolarHBondContact SG-SG 3.2Å
243	T	87.1	Confident	81.5	Confident	13 Å²	13	52.9 Å²	52.9	8%	0.08	28%	0.282	C	S	.	.	H	α-helix	trans	-57.3	-40.8	175.7	-55.2	0	0	0	0	111	K95 A97 P239 Y240 N241 E246 Q247	K95-T243 WeakPolarHBondContact O-CG2 3.29Å; A97-T243 WeakPolarHBondContact CB-OG1 3.31Å; P239-T243 WeakPolarHBondContact O-CB 3.3Å; P239-T243 PolarHBondContact O-N 3.36Å; P239-T243 PolarHBondContact O-OG1 3.12Å; Y240-T243 WeakPolarHBondContact O-CB 3.26Å; Y240-T243 PolarHBondContact O-N 3.46Å; N241-T243 VanDerWaalsContact C-N 3.33Å; N241-T243 PolarHBondContact O-N 2.95Å; T243-E246 PolarHBondContact O-N 2.93Å; T243-Q247 WeakPolarHBondContact O-CB 3.41Å; T243-Q247 VanDerWaalsContact O-CG 3.24Å; T243-Q247 WeakPolarHBondContact O-CG 3.49Å; T243-Q247 PolarHBondContact O-N 3.45Å
244	R	86.9	Confident	81.4	Confident	129 Å²	129	54 Å²	54	49%	0.487	29%	0.287	S	S	.	.	H	α-helix	trans	-64.4	-45.1	176.4	-70.2	-172.9	63.3	-173	-2.3	112.7	Y240 N241 C242 E246 Q247 Q248	Y240-R244 PolarHBondContact O-N 2.9Å; N241-R244 WeakPolarHBondContact O-CB 3.48Å; N241-R244 PolarHBondContact O-N 2.75Å; C242-R244 PolarHBondContact O-N 2.9Å; R244-E246 VanDerWaalsContact C-N 3.29Å; R244-E246 PolarHBondContact O-N 3.29Å; R244-Q247 PolarHBondContact O-N 3.2Å; R244-Q248 WeakPolarHBondContact O-CG 3.49Å; R244-Q248 PolarHBondContact O-N 2.82Å; R244-Q248 VanDerWaalsContact O-N 3.15Å
245	C	87.1	Confident	81.7	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-57.7	-46	175.7	-59.4	0	0	0	0	110.9	N241 C242 Q247 Q248 G249 Q250 C252 C263	N241-C245 PolarHBondContact O-N 2.87Å; N241-C245 VanDerWaalsContact O-N 3.15Å; N241-C245 PolarHBondContact O-SG 3.16Å; C242-C245 PolarHBondContact O-N 3.15Å; C245-Q247 PolarHBondContact O-N 2.97Å; C245-Q248 CarbonylContact O-C 3.57Å; C245-Q248 WeakPolarHBondContact O-CA 3.48Å; C245-Q248 WeakPolarHBondContact O-CB 3.46Å; C245-Q248 PolarHBondContact O-N 2.84Å; C245-Q248 VanDerWaalsContact O-N 3.09Å; C245-G249 PolarHBondContact O-N 2.87Å; C245-Q250 CarbonylContact C-O 3.56Å; C245-Q250 VanDerWaalsContact C-O 3.26Å; C245-Q250 HydrophobicContact CB-CB 4.39Å; C245-Q250 CarbonylContact O-C 3.6Å; C245-Q250 WeakPolarHBondContact O-CA 3.42Å; C245-Q250 WeakPolarHBondContact O-CB 3.39Å; C245-Q250 PolarHBondContact O-N 3.17Å; C245-Q250 VanDerWaalsContact O-O 3.06Å; C245-C252 HydrophobicContact CB-CB 4.33Å; C245-C263 WeakPolarHBondContact CA-SG 3.33Å; C245-C263 HydrophobicContact CB-CB 3.67Å; C245-C263 WeakPolarHBondContact CB-SG 3.47Å; C245-C263 WeakPolarHBondContact SG-CA 3.22Å; C245-C263 WeakPolarHBondContact SG-CB 3.4Å; C245-C263 CovalentContact SG-SG 2.03Å; C245-C263 PolarHBondContact SG-SG 2.95Å
246	E	88	Confident	81.8	Confident	15 Å²	15	51.1 Å²	51.1	7%	0.07	28%	0.279	C	S	.	.	H	α-helix	trans	-68.4	-35.6	-176.8	-67	-73.3	159.2	0	0	112.6	R49 K95 C242 T243 R244 Q248 G249 Q250	R49-E246 IonicContact CZ-OE1 2.83Å; R49-E246 IonicContact CZ-OE2 2.78Å; R49-E246 IonicContact NH1-OE1 3.93Å; R49-E246 PolarHBondContact NH1-OE1 3.44Å; R49-E246 IonicContact NH1-OE2 3.43Å; R49-E246 IonicContact NH2-OE1 2.72Å; R49-E246 PolarHBondContact NH2-OE1 2.95Å; R49-E246 IonicContact NH2-OE2 3.59Å; R49-E246 PolarHBondContact NH2-OE2 3.34Å; K95-E246 WeakPolarHBondContact CE-O 3.37Å; K95-E246 HydrophobicContact CG-CB 3.96Å; C242-E246 VanDerWaalsContact O-CG 3.24Å; C242-E246 WeakPolarHBondContact O-CG 3.35Å; C242-E246 PolarHBondContact O-N 3.43Å; T243-E246 PolarHBondContact O-N 2.93Å; R244-E246 VanDerWaalsContact C-N 3.29Å; R244-E246 PolarHBondContact O-N 3.29Å; E246-Q248 PolarHBondContact O-N 3.01Å; E246-G249 PolarHBondContact O-N 3.33Å; E246-G249 VanDerWaalsContact O-N 3.08Å; E246-Q250 WeakPolarHBondContact CA-O 3.27Å; E246-Q250 PolarHBondContact N-O 3.38Å
247	Q	86.9	Confident	81.7	Confident	128 Å²	128	55.9 Å²	55.9	60%	0.598	29%	0.287	S	S	*	.	H	α-helix	trans	-65.6	-28.7	172.4	-74.7	174.5	0.2	0	0	112.4	K95 T243 R244 C245 G249	K95-Q247 PolarHBondContact O-NE2 3.5Å; T243-Q247 WeakPolarHBondContact O-CB 3.41Å; T243-Q247 VanDerWaalsContact O-CG 3.24Å; T243-Q247 WeakPolarHBondContact O-CG 3.49Å; T243-Q247 PolarHBondContact O-N 3.45Å; R244-Q247 PolarHBondContact O-N 3.2Å; C245-Q247 PolarHBondContact O-N 2.97Å; Q247-G249 PolarHBondContact O-N 3.39Å
248	Q	84.1	Confident	81.8	Confident	119 Å²	119	59.2 Å²	59.2	56%	0.556	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	3.1	173.3	-66.7	174.8	-12.2	0	0	113.2	R244 C245 E246 Q250	R244-Q248 WeakPolarHBondContact O-CG 3.49Å; R244-Q248 PolarHBondContact O-N 2.82Å; R244-Q248 VanDerWaalsContact O-N 3.15Å; C245-Q248 CarbonylContact O-C 3.57Å; C245-Q248 WeakPolarHBondContact O-CA 3.48Å; C245-Q248 WeakPolarHBondContact O-CB 3.46Å; C245-Q248 PolarHBondContact O-N 2.84Å; C245-Q248 VanDerWaalsContact O-N 3.09Å; E246-Q248 PolarHBondContact O-N 3.01Å; Q248-Q250 HydrophobicContact CB-CG 4.45Å; Q248-Q250 PolarHBondContact O-N 3.11Å
249	G	82.5	Confident	81.7	Confident	55 Å²	55	63.8 Å²	63.8	57%	0.567	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	14.7	-177.1	0	0	0	0	0	113.9	C245 E246 Q247	C245-G249 PolarHBondContact O-N 2.87Å; E246-G249 PolarHBondContact O-N 3.33Å; E246-G249 VanDerWaalsContact O-N 3.08Å; Q247-G249 PolarHBondContact O-N 3.39Å
250	Q	84.7	Confident	81.8	Confident	31 Å²	31	68.8 Å²	68.8	15%	0.145	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-102.1	162.9	176.8	-63.1	177.4	-24.2	0	0	110.3	C245 E246 Q248 C263 H265	C245-Q250 CarbonylContact C-O 3.56Å; C245-Q250 VanDerWaalsContact C-O 3.26Å; C245-Q250 HydrophobicContact CB-CB 4.39Å; C245-Q250 CarbonylContact O-C 3.6Å; C245-Q250 WeakPolarHBondContact O-CA 3.42Å; C245-Q250 WeakPolarHBondContact O-CB 3.39Å; C245-Q250 PolarHBondContact O-N 3.17Å; C245-Q250 VanDerWaalsContact O-O 3.06Å; E246-Q250 WeakPolarHBondContact CA-O 3.27Å; E246-Q250 PolarHBondContact N-O 3.38Å; Q248-Q250 HydrophobicContact CB-CG 4.45Å; Q248-Q250 PolarHBondContact O-N 3.11Å; Q250-C263 HydrophobicContact CB-CB 4.03Å; Q250-H265 PolarHBondContact NE2-CD2 3.4Å; Q250-H265 PolarHBondContact NE2-CE1 3.42Å; Q250-H265 PolarHBondContact NE2-ND1 2.66Å; Q250-H265 PolarHBondContact NE2-NE2 2.8Å
251	R	83.9	Confident	82	Confident	78 Å²	78	63.8 Å²	63.8	29%	0.294	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	138.4	175	-60.7	-169.8	167.3	-173.3	-7.3	110.7	F33 E47 M264	F33-R251 HydrophobicContact CE1-CB 4.4Å; F33-R251 HydrophobicContact CE2-CB 3.93Å; F33-R251 HydrophobicContact CZ-CB 3.43Å; F33-R251 VanDerWaalsContact CZ-CB 3.43Å; F33-R251 HydrophobicContact CZ-CG 4.2Å; E47-R251 IonicContact OE1-NH2 3.48Å; R251-M264 PolarHBondContact N-O 3.45Å; R251-M264 PolarHBondContact O-N 3.12Å
252	C	85.7	Confident	81.9	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.02	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	135.6	172.5	-165	0	0	0	0	111.1	F50 C242 C245	F50-C252 HydrophobicContact CD1-CB 4.2Å; C242-C252 WeakPolarHBondContact CA-SG 3.28Å; C242-C252 HydrophobicContact CB-CB 3.39Å; C242-C252 WeakPolarHBondContact CB-SG 3.46Å; C242-C252 WeakPolarHBondContact SG-CB 3.32Å; C242-C252 CovalentContact SG-SG 2.04Å; C242-C252 PolarHBondContact SG-SG 3.2Å; C245-C252 HydrophobicContact CB-CB 4.33Å
253	A	82.9	Confident	81.8	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	166.7	173.1	0	0	0	0	0	110	F32 T261 F262 M264	F32-A253 HydrophobicContact CB-CB 4.3Å; F32-A253 HydrophobicContact CD1-CB 3.58Å; F32-A253 HydrophobicContact CE1-CB 4.03Å; F32-A253 HydrophobicContact CG-CB 3.9Å; A253-T261 CarbonylContact O-C 3.55Å; A253-T261 VanDerWaalsContact O-CA 3.27Å; A253-T261 WeakPolarHBondContact O-CA 3.47Å; A253-F262 HydrophobicContact CB-CD1 4.24Å; A253-F262 HydrophobicContact CB-CD2 4.43Å; A253-F262 HydrophobicContact CB-CE1 3.73Å; A253-F262 HydrophobicContact CB-CE2 3.97Å; A253-F262 HydrophobicContact CB-CZ 3.58Å; A253-F262 PolarHBondContact N-O 2.96Å; A253-F262 PolarHBondContact O-N 3.28Å; A253-M264 HydrophobicContact CB-CG 4.03Å; A253-M264 HydrophobicContact CB-SD 3.95Å
254	F	80.2	Confident	81.1	Confident	32 Å²	32	66.6 Å²	66.6	14%	0.14	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.1	178.7	-175.1	-98.4	0	0	0	110.6	F32 F50 I238 N259 T261	F32-F254 VanDerWaalsContact CD2-O 3.24Å; F32-F254 WeakPolarHBondContact CD2-O 3.47Å; F32-F254 HydrophobicContact CE2-CB 4.1Å; F50-F254 HydrophobicContact CD2-CB 4.41Å; F50-F254 HydrophobicContact CE1-CB 4.14Å; F50-F254 HydrophobicContact CE2-CB 3.7Å; F50-F254 HydrophobicContact CE2-CG 4.34Å; F50-F254 HydrophobicContact CZ-CB 3.56Å; F50-F254 HydrophobicContact CZ-CD2 4.2Å; F50-F254 HydrophobicContact CZ-CG 4.17Å; I238-F254 HydrophobicContact CD1-CE2 4.48Å; F254-N259 WeakPolarHBondContact CZ-OD1 3.43Å; F254-T261 HydrophobicContact CD2-CG2 4.06Å
255	S	76.8	Confident	80.2	Confident	5 Å²	5	67.7 Å²	67.7	4%	0.035	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	112.7	175.8	-178.5	0	0	0	0	108.3	D29 Q257 R258 N259 Q260	D29-S255 PolarHBondContact OD1-OG 3.22Å; S255-Q257 PolarHBondContact O-N 3.07Å; S255-R258 PolarHBondContact O-N 3.2Å; S255-R258 PolarHBondContact OG-N 3Å; S255-N259 WeakPolarHBondContact O-CA 3.41Å; S255-N259 PolarHBondContact O-N 2.71Å; S255-Q260 PolarHBondContact N-O 2.75Å; S255-Q260 PolarHBondContact O-N 3.26Å
256	S	70	Confident	78.7	Confident	82 Å²	82	74.3 Å²	74.3	57%	0.573	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-29.3	175.7	-62.7	0	0	0	0	112.3
257	Q	69.3	Low	76.9	Confident	153 Å²	153	76.6 Å²	76.6	72%	0.715	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-45.1	177.3	-66.6	-177.6	-0.7	0	0	112	S255 N259	S255-Q257 PolarHBondContact O-N 3.07Å; Q257-N259 VanDerWaalsContact C-N 3.33Å
258	R	74.2	Confident	74.6	Confident	153 Å²	153	75 Å²	75	58%	0.577	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-11	-179.6	-54.8	-175.5	-162	-164.1	6.3	113.1	D29 S255 Q260	D29-R258 IonicContact OD2-CZ 3.89Å; D29-R258 IonicContact OD2-NE 3.91Å; D29-R258 IonicContact OD2-NH2 2.98Å; D29-R258 PolarHBondContact OD2-NH2 3.11Å; S255-R258 PolarHBondContact O-N 3.2Å; S255-R258 PolarHBondContact OG-N 3Å; R258-Q260 HydrophobicContact CB-CB 4.23Å; R258-Q260 WeakPolarHBondContact O-CG 3.2Å; R258-Q260 PolarHBondContact O-N 2.71Å
259	N	76.2	Confident	72.2	Confident	126 Å²	126	80.7 Å²	80.7	67%	0.674	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	36.9	-170.4	-162.3	34.2	0	0	0	112.4	F254 S255 Q257	F254-N259 WeakPolarHBondContact CZ-OD1 3.43Å; S255-N259 WeakPolarHBondContact O-CA 3.41Å; S255-N259 PolarHBondContact O-N 2.71Å; Q257-N259 VanDerWaalsContact C-N 3.33Å
260	Q	79.4	Confident	69.8	Low	131 Å²	131	82.6 Å²	82.6	61%	0.612	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.8	150.1	-171.8	-76	179.3	10.2	0	0	111.9	S255 R258	S255-Q260 PolarHBondContact N-O 2.75Å; S255-Q260 PolarHBondContact O-N 3.26Å; R258-Q260 HydrophobicContact CB-CB 4.23Å; R258-Q260 WeakPolarHBondContact O-CG 3.2Å; R258-Q260 PolarHBondContact O-N 2.71Å
261	T	84.1	Confident	67.2	Low	23 Å²	23	90.7 Å²	90.7	14%	0.141	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	142.3	172.3	51.8	0	0	0	0	111.5	F50 I238 N241 A253 F254	F50-T261 HydrophobicContact CE1-CG2 4Å; F50-T261 HydrophobicContact CZ-CG2 4.17Å; I238-T261 HydrophobicContact CB-CG2 4.15Å; I238-T261 HydrophobicContact CG1-CG2 3.85Å; I238-T261 HydrophobicContact CG2-CG2 3.86Å; N241-T261 WeakPolarHBondContact CB-OG1 3.43Å; N241-T261 PolarHBondContact ND2-OG1 2.78Å; A253-T261 CarbonylContact O-C 3.55Å; A253-T261 VanDerWaalsContact O-CA 3.27Å; A253-T261 WeakPolarHBondContact O-CA 3.47Å; F254-T261 HydrophobicContact CD2-CG2 4.06Å
262	F	83.8	Confident	64.7	Low	53 Å²	53	92 Å²	92	23%	0.232	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	163.9	174.9	66.9	-80.6	0	0	0	111	D29 A253 M264	D29-F262 HydrophobicContact CB-CE2 4.45Å; D29-F262 HydrophobicContact CB-CZ 4.19Å; A253-F262 HydrophobicContact CB-CD1 4.24Å; A253-F262 HydrophobicContact CB-CD2 4.43Å; A253-F262 HydrophobicContact CB-CE1 3.73Å; A253-F262 HydrophobicContact CB-CE2 3.97Å; A253-F262 HydrophobicContact CB-CZ 3.58Å; A253-F262 PolarHBondContact N-O 2.96Å; A253-F262 PolarHBondContact O-N 3.28Å; F262-M264 HydrophobicContact CD2-CG 3.99Å; F262-M264 HydrophobicContact CE2-CG 3.37Å; F262-M264 HydrophobicContact CE2-SD 4.02Å; F262-M264 HydrophobicContact CZ-CG 4.16Å; F262-M264 HydrophobicContact CZ-SD 4.28Å
263	C	83.4	Confident	62.4	Low	45 Å²	45	99 Å²	99	30%	0.304	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.7	179.9	-48.7	0	0	0	0	110.6	C245 Q250	C245-C263 WeakPolarHBondContact CA-SG 3.33Å; C245-C263 HydrophobicContact CB-CB 3.67Å; C245-C263 WeakPolarHBondContact CB-SG 3.47Å; C245-C263 WeakPolarHBondContact SG-CA 3.22Å; C245-C263 WeakPolarHBondContact SG-CB 3.4Å; C245-C263 CovalentContact SG-SG 2.03Å; C245-C263 PolarHBondContact SG-SG 2.95Å; Q250-C263 HydrophobicContact CB-CB 4.03Å
264	M	72.8	Confident	60.1	Low	35 Å²	35	103.1 Å²	103.1	17%	0.172	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	131	175.5	-74.3	-172.5	76.2	0	0	111.2	F33 R251 A253 F262	F33-M264 HydrophobicContact CD2-CE 4.18Å; F33-M264 HydrophobicContact CD2-SD 3.59Å; F33-M264 VanDerWaalsContact CD2-SD 3.59Å; F33-M264 HydrophobicContact CE2-CB 4.07Å; F33-M264 HydrophobicContact CE2-CG 4.29Å; F33-M264 HydrophobicContact CE2-SD 3.52Å; F33-M264 VanDerWaalsContact CE2-SD 3.52Å; R251-M264 PolarHBondContact N-O 3.45Å; R251-M264 PolarHBondContact O-N 3.12Å; A253-M264 HydrophobicContact CB-CG 4.03Å; A253-M264 HydrophobicContact CB-SD 3.95Å; F262-M264 HydrophobicContact CD2-CG 3.99Å; F262-M264 HydrophobicContact CE2-CG 3.37Å; F262-M264 HydrophobicContact CE2-SD 4.02Å; F262-M264 HydrophobicContact CZ-CG 4.16Å; F262-M264 HydrophobicContact CZ-SD 4.28Å
265	H	67.2	Low	58.3	Low	153 Å²	153	105.7 Å²	105.7	71%	0.708	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-69.4	139.1	168.9	-76.3	-93.9	0	0	0	110.3	Q250 G267	Q250-H265 PolarHBondContact NE2-CD2 3.4Å; Q250-H265 PolarHBondContact NE2-CE1 3.42Å; Q250-H265 PolarHBondContact NE2-ND1 2.66Å; Q250-H265 PolarHBondContact NE2-NE2 2.8Å; H265-G267 PolarHBondContact O-N 3.28Å
266	H	57.4	Low	57	Low	141 Å²	141	109.4 Å²	109.4	65%	0.653	59%	0.588	S	S	*	*			trans	-60.4	109.7	174.7	-143.7	-67.3	0	0	0	108.5	S268	H266-S268 PolarHBondContact O-N 3.29Å
267	G	50.1	Low	56.8	Low	62 Å²	62	109.3 Å²	109.3	64%	0.639	59%	0.588	S	S	*	*			trans	-55.1	114.8	160.2	0	0	0	0	0	106.8	H265 R269	H265-G267 PolarHBondContact O-N 3.28Å; G267-R269 PolarHBondContact O-N 3.29Å
268	S	37.7	Very low	57	Low	94 Å²	94	107.7 Å²	107.7	66%	0.657	59%	0.588	S	S	*	*			trans	-63.2	93.1	-175.8	-174.7	0	0	0	0	109.3	H266 V270	H266-S268 PolarHBondContact O-N 3.29Å; S268-V270 PolarHBondContact O-N 3.35Å; S268-V270 VanDerWaalsContact O-N 3.13Å; S268-V270 WeakPolarHBondContact OG-CB 3.39Å; S268-V270 WeakPolarHBondContact OG-CG2 3.41Å
269	R	33.9	Very low	57.1	Low	239 Å²	239	103.6 Å²	103.6	90%	0.902	59%	0.587	S	S	*	*			trans	-81	52.7	156.6	-76.8	-170.1	176.6	-177.6	-0.1	108.6	G267 K271	G267-R269 PolarHBondContact O-N 3.29Å; R269-K271 PolarHBondContact O-N 3.34Å
270	V	31.6	Very low	57.2	Low	95 Å²	95	99.6 Å²	99.6	58%	0.576	57%	0.572	S	S	*	*			trans	-75.4	103.3	160.1	178.5	0	0	0	0	104.5	S268 V272	S268-V270 PolarHBondContact O-N 3.35Å; S268-V270 VanDerWaalsContact O-N 3.13Å; S268-V270 WeakPolarHBondContact OG-CB 3.39Å; S268-V270 WeakPolarHBondContact OG-CG2 3.41Å; V270-V272 HydrophobicContact CB-CG2 4.17Å; V270-V272 HydrophobicContact CG1-CB 4.41Å; V270-V272 HydrophobicContact CG1-CG2 3.54Å; V270-V272 PolarHBondContact O-N 2.99Å
271	K	29.7	Very low	57.2	Low	201 Å²	201	99.7 Å²	99.7	87%	0.874	57%	0.57	S	S	*	*			trans	-62.2	90.4	155.4	-73.4	-173.8	178.5	-176.2	0	105	R269 I273	R269-K271 PolarHBondContact O-N 3.34Å; K271-I273 PolarHBondContact O-N 3.42Å
272	V	32.9	Very low	57.4	Low	106 Å²	106	102.4 Å²	102.4	64%	0.642	59%	0.587	S	S	*	*			trans	-68.3	93.2	173.4	-177.4	0	0	0	0	105	V270 A274	V270-V272 HydrophobicContact CB-CG2 4.17Å; V270-V272 HydrophobicContact CG1-CB 4.41Å; V270-V272 HydrophobicContact CG1-CG2 3.54Å; V270-V272 PolarHBondContact O-N 2.99Å; V272-A274 HydrophobicContact CG1-CB 4.02Å; V272-A274 PolarHBondContact O-N 2.84Å
273	I	35.9	Very low	57.5	Low	149 Å²	149	102.3 Å²	102.3	76%	0.764	60%	0.595	S	S	*	*			trans	-67.9	91.4	154.6	-61.6	176.8	0	0	0	103.5	K271 A275	K271-I273 PolarHBondContact O-N 3.42Å; I273-A275 PolarHBondContact O-N 3.23Å
274	A	35	Very low	57.7	Low	88 Å²	88	104.4 Å²	104.4	73%	0.727	61%	0.607	S	S	*	*	S	Bend	trans	-68.6	84.5	179.3	0	0	0	0	0	108.5	V272	V272-A274 HydrophobicContact CG1-CB 4.02Å; V272-A274 PolarHBondContact O-N 2.84Å
275	A	42.8	Very low	58.4	Low	85 Å²	85	106.3 Å²	106.3	70%	0.702	62%	0.624	S	S	*	*			trans	-155.1	38	163.2	0	0	0	0	0	110.6	I273	I273-A275 PolarHBondContact O-N 3.23Å
276	T	49.8	Very low	59.6	Low	83 Å²	83	104.1 Å²	104.1	51%	0.509	62%	0.617	S	S	.	*			trans	-102	98.5	168.8	49.6	0	0	0	0	108.5	V278 F281	T276-V278 PolarHBondContact O-N 3.1Å; T276-F281 VanDerWaalsContact OG1-CE2 3.26Å; T276-F281 WeakPolarHBondContact OG1-CE2 3.44Å
277	S	64.7	Low	61.3	Low	80 Å²	80	101.7 Å²	101.7	56%	0.559	61%	0.611	S	S	*	*			trans	-38	138.2	164.8	159.7	0	0	0	0	110.5	A279 A280	S277-A279 PolarHBondContact O-N 3.34Å; S277-A279 WeakPolarHBondContact OG-CB 3.29Å; S277-A279 PolarHBondContact OG-N 2.88Å; S277-A280 WeakPolarHBondContact O-CB 3.38Å; S277-A280 PolarHBondContact O-N 3.46Å
278	V	75.4	Confident	63.3	Low	120 Å²	120	102.5 Å²	102.5	73%	0.727	60%	0.603	S	S	*	*	H	α-helix	trans	-46.5	-32.2	176	175.7	0	0	0	0	111.7	T276 A280 F281 V282	T276-V278 PolarHBondContact O-N 3.1Å; V278-A280 VanDerWaalsContact C-N 3.35Å; V278-A280 PolarHBondContact O-N 2.88Å; V278-F281 PolarHBondContact O-N 3.4Å; V278-V282 WeakPolarHBondContact O-CG2 3.3Å; V278-V282 PolarHBondContact O-N 3.4Å; V278-V282 VanDerWaalsContact O-N 3.15Å
279	A	75.6	Confident	65.9	Low	66 Å²	66	100.6 Å²	100.6	55%	0.545	59%	0.593	S	S	.	*	H	α-helix	trans	-60.5	-38.5	175.4	0	0	0	0	0	113.5	S277 V282 A283	S277-A279 PolarHBondContact O-N 3.34Å; S277-A279 WeakPolarHBondContact OG-CB 3.29Å; S277-A279 PolarHBondContact OG-N 2.88Å; A279-V282 PolarHBondContact O-N 3.01Å; A279-A283 WeakPolarHBondContact O-CB 3.43Å; A279-A283 PolarHBondContact O-N 3.41Å
280	A	77.2	Confident	68.7	Low	43 Å²	43	92.7 Å²	92.7	36%	0.355	57%	0.572	S	S	.	*	H	α-helix	trans	-68.8	-39.2	179.5	0	0	0	0	0	111.9	S277 V278 A283 V284	S277-A280 WeakPolarHBondContact O-CB 3.38Å; S277-A280 PolarHBondContact O-N 3.46Å; V278-A280 VanDerWaalsContact C-N 3.35Å; V278-A280 PolarHBondContact O-N 2.88Å; A280-A283 PolarHBondContact O-N 2.82Å; A280-V284 VanDerWaalsContact O-CG2 3.31Å; A280-V284 WeakPolarHBondContact O-CG2 3.22Å; A280-V284 PolarHBondContact O-N 3.24Å
281	F	80.6	Confident	71.7	Confident	132 Å²	132	92.3 Å²	92.3	58%	0.579	57%	0.57	S	S	*	*	H	α-helix	trans	-64.2	-46.1	175.2	-97.5	-75.4	0	0	0	111.7	T276 V278 A283 V284 S285	T276-F281 VanDerWaalsContact OG1-CE2 3.26Å; T276-F281 WeakPolarHBondContact OG1-CE2 3.44Å; V278-F281 PolarHBondContact O-N 3.4Å; F281-A283 VanDerWaalsContact C-N 3.31Å; F281-A283 PolarHBondContact O-N 3.2Å; F281-V284 PolarHBondContact O-N 3.32Å; F281-S285 WeakPolarHBondContact O-CB 3.22Å; F281-S285 PolarHBondContact O-N 3.19Å; F281-S285 PolarHBondContact O-OG 3.17Å
282	V	87.5	Confident	74.7	Confident	81 Å²	81	87.5 Å²	87.5	49%	0.491	55%	0.553	S	S	.	*	H	α-helix	trans	-59.9	-43.2	176.7	174.9	0	0	0	0	110.8	V278 A279 S285 L286	V278-V282 WeakPolarHBondContact O-CG2 3.3Å; V278-V282 PolarHBondContact O-N 3.4Å; V278-V282 VanDerWaalsContact O-N 3.15Å; A279-V282 PolarHBondContact O-N 3.01Å; V282-S285 PolarHBondContact O-N 3.11Å; V282-L286 HydrophobicContact CG1-CD1 3.96Å; V282-L286 WeakPolarHBondContact O-CB 3.41Å; V282-L286 WeakPolarHBondContact O-CG 3.29Å; V282-L286 PolarHBondContact O-N 2.84Å
283	A	86.5	Confident	77.6	Confident	50 Å²	50	89.1 Å²	89.1	41%	0.413	55%	0.548	S	S	.	.	H	α-helix	trans	-61.6	-46.8	177.1	0	0	0	0	0	112.3	A279 A280 F281 L286 V287	A279-A283 WeakPolarHBondContact O-CB 3.43Å; A279-A283 PolarHBondContact O-N 3.41Å; A280-A283 PolarHBondContact O-N 2.82Å; F281-A283 VanDerWaalsContact C-N 3.31Å; F281-A283 PolarHBondContact O-N 3.2Å; A283-L286 PolarHBondContact O-N 3.47Å; A283-V287 VanDerWaalsContact O-CG2 3.32Å; A283-V287 WeakPolarHBondContact O-CG2 3.18Å; A283-V287 PolarHBondContact O-N 2.92Å
284	V	86.9	Confident	80.2	Confident	90 Å²	90	87 Å²	87	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-64.3	-42.6	178.6	172.3	0	0	0	0	111.4	A280 F281 L286 V287 V288	A280-V284 VanDerWaalsContact O-CG2 3.31Å; A280-V284 WeakPolarHBondContact O-CG2 3.22Å; A280-V284 PolarHBondContact O-N 3.24Å; F281-V284 PolarHBondContact O-N 3.32Å; V284-L286 VanDerWaalsContact C-N 3.33Å; V284-L286 PolarHBondContact O-N 3.47Å; V284-V287 PolarHBondContact O-N 3.29Å; V284-V288 HydrophobicContact CG1-CG2 4.38Å; V284-V288 WeakPolarHBondContact O-CG2 3.46Å; V284-V288 PolarHBondContact O-N 2.84Å
285	S	87.2	Confident	82.9	Confident	75 Å²	75	85 Å²	85	52%	0.524	52%	0.519	S	S	.	.	H	α-helix	trans	-61.6	-40.7	176.9	-66.5	0	0	0	0	112.3	F281 V282 V288 A289	F281-S285 WeakPolarHBondContact O-CB 3.22Å; F281-S285 PolarHBondContact O-N 3.19Å; F281-S285 PolarHBondContact O-OG 3.17Å; V282-S285 PolarHBondContact O-N 3.11Å; S285-V288 PolarHBondContact O-N 3.36Å; S285-A289 WeakPolarHBondContact O-CB 3.48Å; S285-A289 PolarHBondContact O-N 3.46Å
286	L	93.6	Very high	85.1	Confident	107 Å²	107	86.3 Å²	86.3	56%	0.56	51%	0.514	S	S	*	.	H	α-helix	trans	-64	-40.9	174.2	-75.4	166.2	0	0	0	111.8	V282 A283 V284 A289 T290	V282-L286 HydrophobicContact CG1-CD1 3.96Å; V282-L286 WeakPolarHBondContact O-CB 3.41Å; V282-L286 WeakPolarHBondContact O-CG 3.29Å; V282-L286 PolarHBondContact O-N 2.84Å; A283-L286 PolarHBondContact O-N 3.47Å; V284-L286 VanDerWaalsContact C-N 3.33Å; V284-L286 PolarHBondContact O-N 3.47Å; L286-A289 PolarHBondContact O-N 3.1Å; L286-T290 WeakPolarHBondContact O-CB 3.47Å; L286-T290 VanDerWaalsContact O-CG2 3.3Å; L286-T290 WeakPolarHBondContact O-CG2 3.4Å; L286-T290 PolarHBondContact O-N 2.98Å; L286-T290 PolarHBondContact O-OG1 3.18Å
287	V	92.9	Very high	87	Confident	89 Å²	89	86.9 Å²	86.9	54%	0.539	51%	0.509	S	S	.	.	H	α-helix	trans	-64.9	-43.9	176.5	173	0	0	0	0	111.4	A283 V284 T290 V291	A283-V287 VanDerWaalsContact O-CG2 3.32Å; A283-V287 WeakPolarHBondContact O-CG2 3.18Å; A283-V287 PolarHBondContact O-N 2.92Å; V284-V287 PolarHBondContact O-N 3.29Å; V287-T290 VanDerWaalsContact CA-OG1 3.29Å; V287-T290 WeakPolarHBondContact CA-OG1 3.47Å; V287-T290 PolarHBondContact O-N 3.39Å; V287-T290 PolarHBondContact O-OG1 3.24Å; V287-V291 HydrophobicContact CG1-CG2 4.45Å; V287-V291 VanDerWaalsContact O-CG2 3.29Å; V287-V291 WeakPolarHBondContact O-CG2 3.49Å; V287-V291 PolarHBondContact O-N 3.28Å
288	V	92.5	Very high	88.1	Confident	79 Å²	79	88.7 Å²	88.7	48%	0.479	51%	0.508	S	S	.	.	H	α-helix	trans	-65	-43.9	177.6	173.6	0	0	0	0	111.2	V284 S285 T290 V291 L292	V284-V288 HydrophobicContact CG1-CG2 4.38Å; V284-V288 WeakPolarHBondContact O-CG2 3.46Å; V284-V288 PolarHBondContact O-N 2.84Å; S285-V288 PolarHBondContact O-N 3.36Å; V288-T290 VanDerWaalsContact C-N 3.33Å; V288-T290 PolarHBondContact O-N 2.99Å; V288-V291 PolarHBondContact O-N 3.41Å; V288-L292 HydrophobicContact CG1-CD1 3.91Å; V288-L292 HydrophobicContact CG1-CG 4.39Å; V288-L292 WeakPolarHBondContact O-CB 3.25Å; V288-L292 WeakPolarHBondContact O-CG 3.35Å; V288-L292 PolarHBondContact O-N 2.94Å
289	A	92.6	Very high	88.5	Confident	54 Å²	54	91.8 Å²	91.8	45%	0.446	51%	0.507	S	S	.	.	H	α-helix	trans	-62.1	-40.9	177.6	0	0	0	0	0	111.9	S285 L286 Y293	S285-A289 WeakPolarHBondContact O-CB 3.48Å; S285-A289 PolarHBondContact O-N 3.46Å; L286-A289 PolarHBondContact O-N 3.1Å; A289-Y293 VanDerWaalsContact O-CB 3.25Å; A289-Y293 WeakPolarHBondContact O-CB 3.41Å; A289-Y293 PolarHBondContact O-N 3.36Å
290	T	92.8	Very high	88.9	Confident	73 Å²	73	95.9 Å²	95.9	45%	0.448	51%	0.51	S	S	.	.	H	α-helix	trans	-67.2	-43	176.5	48.1	0	0	0	0	112	L286 V287 V288 Y293 L294	L286-T290 WeakPolarHBondContact O-CB 3.47Å; L286-T290 VanDerWaalsContact O-CG2 3.3Å; L286-T290 WeakPolarHBondContact O-CG2 3.4Å; L286-T290 PolarHBondContact O-N 2.98Å; L286-T290 PolarHBondContact O-OG1 3.18Å; V287-T290 VanDerWaalsContact CA-OG1 3.29Å; V287-T290 WeakPolarHBondContact CA-OG1 3.47Å; V287-T290 PolarHBondContact O-N 3.39Å; V287-T290 PolarHBondContact O-OG1 3.24Å; V288-T290 VanDerWaalsContact C-N 3.33Å; V288-T290 PolarHBondContact O-N 2.99Å; T290-Y293 PolarHBondContact O-N 3Å; T290-L294 WeakPolarHBondContact O-CB 3.4Å; T290-L294 VanDerWaalsContact O-CG 3.22Å; T290-L294 WeakPolarHBondContact O-CG 3.28Å; T290-L294 PolarHBondContact O-N 3.32Å
291	V	93	Very high	89.3	Confident	88 Å²	88	97.8 Å²	97.8	53%	0.533	51%	0.514	S	S	.	.	H	α-helix	trans	-63.1	-42.8	175.3	172	0	0	0	0	111.7	V287 V288 L294 S295	V287-V291 HydrophobicContact CG1-CG2 4.45Å; V287-V291 VanDerWaalsContact O-CG2 3.29Å; V287-V291 WeakPolarHBondContact O-CG2 3.49Å; V287-V291 PolarHBondContact O-N 3.28Å; V288-V291 PolarHBondContact O-N 3.41Å; V291-L294 PolarHBondContact O-N 3.41Å; V291-S295 WeakPolarHBondContact O-CB 3.46Å; V291-S295 PolarHBondContact O-N 3.1Å; V291-S295 PolarHBondContact O-OG 2.9Å
292	L	93.2	Very high	89.3	Confident	99 Å²	99	96.8 Å²	96.8	52%	0.518	51%	0.511	S	S	.	.	H	α-helix	trans	-62.9	-45.6	175.1	-75.6	171.6	0	0	0	111.3	V288 L294 S295 L296	V288-L292 HydrophobicContact CG1-CD1 3.91Å; V288-L292 HydrophobicContact CG1-CG 4.39Å; V288-L292 WeakPolarHBondContact O-CB 3.25Å; V288-L292 WeakPolarHBondContact O-CG 3.35Å; V288-L292 PolarHBondContact O-N 2.94Å; L292-L294 PolarHBondContact O-N 3.46Å; L292-S295 WeakPolarHBondContact CA-OG 3.43Å; L292-S295 PolarHBondContact O-N 3.38Å; L292-S295 PolarHBondContact O-OG 2.87Å; L292-L296 WeakPolarHBondContact O-CB 3.38Å; L292-L296 VanDerWaalsContact O-CG 3.28Å; L292-L296 WeakPolarHBondContact O-CG 3.46Å; L292-L296 PolarHBondContact O-N 2.9Å
293	Y	93	Very high	88.8	Confident	140 Å²	140	97.9 Å²	97.9	55%	0.549	51%	0.51	S	S	.	.	H	α-helix	trans	-59.5	-47.1	175.8	173.6	-98.2	0	0	0	111.8	A289 T290 L296 K297	A289-Y293 VanDerWaalsContact O-CB 3.25Å; A289-Y293 WeakPolarHBondContact O-CB 3.41Å; A289-Y293 PolarHBondContact O-N 3.36Å; T290-Y293 PolarHBondContact O-N 3Å; Y293-L296 PolarHBondContact O-N 3.45Å; Y293-K297 HydrophobicContact CE1-CD 3.95Å; Y293-K297 WeakPolarHBondContact O-CB 3.34Å; Y293-K297 PolarHBondContact O-N 3.49Å
294	L	92.4	Very high	88.4	Confident	104 Å²	104	98 Å²	98	55%	0.545	51%	0.506	S	S	.	.	H	α-helix	trans	-64.9	-41.1	179.8	-70.9	173.7	0	0	0	112.2	T290 V291 L292 K297 Q298	T290-L294 WeakPolarHBondContact O-CB 3.4Å; T290-L294 VanDerWaalsContact O-CG 3.22Å; T290-L294 WeakPolarHBondContact O-CG 3.28Å; T290-L294 PolarHBondContact O-N 3.32Å; V291-L294 PolarHBondContact O-N 3.41Å; L292-L294 PolarHBondContact O-N 3.46Å; L294-K297 PolarHBondContact O-N 3.41Å; L294-Q298 WeakPolarHBondContact O-CB 3.4Å; L294-Q298 PolarHBondContact O-N 2.85Å
295	S	90.6	Very high	88.1	Confident	46 Å²	46	99.5 Å²	99.5	32%	0.322	51%	0.507	S	S	.	.	H	α-helix	trans	-68.8	-39.1	178	61.2	0	0	0	0	112.9	V291 L292 Q298 R299	V291-S295 WeakPolarHBondContact O-CB 3.46Å; V291-S295 PolarHBondContact O-N 3.1Å; V291-S295 PolarHBondContact O-OG 2.9Å; L292-S295 WeakPolarHBondContact CA-OG 3.43Å; L292-S295 PolarHBondContact O-N 3.38Å; L292-S295 PolarHBondContact O-OG 2.87Å; S295-Q298 PolarHBondContact O-N 2.97Å; S295-R299 PolarHBondContact O-N 2.94Å
296	L	89.9	Confident	87.5	Confident	114 Å²	114	100.6 Å²	100.6	60%	0.597	51%	0.506	S	S	*	.	H	α-helix	trans	-66.1	-43.2	172.7	-71.1	173.1	0	0	0	111.1	L292 Y293 Q298 R299 Y300	L292-L296 WeakPolarHBondContact O-CB 3.38Å; L292-L296 VanDerWaalsContact O-CG 3.28Å; L292-L296 WeakPolarHBondContact O-CG 3.46Å; L292-L296 PolarHBondContact O-N 2.9Å; Y293-L296 PolarHBondContact O-N 3.45Å; L296-Q298 VanDerWaalsContact C-N 3.34Å; L296-Q298 PolarHBondContact O-N 3.45Å; L296-R299 PolarHBondContact O-N 2.76Å; L296-Y300 WeakPolarHBondContact O-CB 3.4Å; L296-Y300 PolarHBondContact O-N 2.66Å
297	K	89.2	Confident	86.5	Confident	95 Å²	95	101.3 Å²	101.3	41%	0.413	51%	0.505	S	S	.	.	H	α-helix	trans	-61.8	-41.6	175.1	-175.3	175.3	-178	176.9	0	111.5	Y293 L294 Y300 N301	Y293-K297 HydrophobicContact CE1-CD 3.95Å; Y293-K297 WeakPolarHBondContact O-CB 3.34Å; Y293-K297 PolarHBondContact O-N 3.49Å; L294-K297 PolarHBondContact O-N 3.41Å; K297-Y300 PolarHBondContact O-N 3.12Å; K297-N301 VanDerWaalsContact O-CB 3.3Å; K297-N301 WeakPolarHBondContact O-CB 3.34Å; K297-N301 PolarHBondContact O-N 3.41Å; K297-N301 PolarHBondContact O-OD1 2.87Å
298	Q	88.6	Confident	85.7	Confident	117 Å²	117	100.6 Å²	100.6	55%	0.547	50%	0.501	S	S	.	.	H	α-helix	trans	-63.1	-48.9	176.1	-177.1	-179.9	-13.9	0	0	111.3	L294 S295 L296 Y300 N301 E302	L294-Q298 WeakPolarHBondContact O-CB 3.4Å; L294-Q298 PolarHBondContact O-N 2.85Å; S295-Q298 PolarHBondContact O-N 2.97Å; L296-Q298 VanDerWaalsContact C-N 3.34Å; L296-Q298 PolarHBondContact O-N 3.45Å; Q298-Y300 VanDerWaalsContact C-N 3.33Å; Q298-Y300 PolarHBondContact O-N 3.22Å; Q298-N301 PolarHBondContact O-N 2.98Å; Q298-E302 HydrophobicContact CG-CG 4.5Å; Q298-E302 PolarHBondContact NE2-OE1 2.89Å; Q298-E302 WeakPolarHBondContact O-CG 3.5Å; Q298-E302 PolarHBondContact O-N 2.79Å
299	R	82.6	Confident	84.9	Confident	186 Å²	186	100.3 Å²	100.3	70%	0.702	49%	0.494	S	S	*	.	H	α-helix	trans	-59.7	-43	176.7	-77.2	-173	-177.4	-177.7	2.7	112.5	S295 L296 E302 E303	S295-R299 PolarHBondContact O-N 2.94Å; L296-R299 PolarHBondContact O-N 2.76Å; R299-E302 PolarHBondContact O-N 3.3Å; R299-E303 PolarHBondContact O-N 3.23Å
300	Y	83.8	Confident	83.7	Confident	152 Å²	152	100.4 Å²	100.4	60%	0.596	49%	0.486	S	S	*	.	H	α-helix	trans	-61.7	-45.8	175.6	177.3	-98.5	0	0	0	111.3	L296 K297 Q298 E302 E303 V304	L296-Y300 WeakPolarHBondContact O-CB 3.4Å; L296-Y300 PolarHBondContact O-N 2.66Å; K297-Y300 PolarHBondContact O-N 3.12Å; Q298-Y300 VanDerWaalsContact C-N 3.33Å; Q298-Y300 PolarHBondContact O-N 3.22Å; Y300-E302 PolarHBondContact O-N 2.98Å; Y300-E303 PolarHBondContact O-N 3.14Å; Y300-V304 HydrophobicContact CD1-CG2 4.15Å; Y300-V304 HydrophobicContact CD2-CG2 4.48Å; Y300-V304 HydrophobicContact CE1-CG2 3.73Å; Y300-V304 HydrophobicContact CE2-CG2 4.1Å; Y300-V304 VanDerWaalsContact O-CG2 3.3Å; Y300-V304 WeakPolarHBondContact O-CG2 3.23Å; Y300-V304 PolarHBondContact O-N 2.88Å
301	N	85.6	Confident	82.6	Confident	82 Å²	82	102.6 Å²	102.6	44%	0.439	49%	0.489	S	S	.	.	H	α-helix	trans	-63.3	-39.7	177.4	-73.3	-6	0	0	0	112.2	K297 Q298 V304 H305	K297-N301 VanDerWaalsContact O-CB 3.3Å; K297-N301 WeakPolarHBondContact O-CB 3.34Å; K297-N301 PolarHBondContact O-N 3.41Å; K297-N301 PolarHBondContact O-OD1 2.87Å; Q298-N301 PolarHBondContact O-N 2.98Å; N301-V304 PolarHBondContact O-N 3.44Å; N301-H305 WeakPolarHBondContact O-CB 3.11Å; N301-H305 PolarHBondContact O-N 2.94Å
302	E	81.2	Confident	81.7	Confident	112 Å²	112	102.9 Å²	102.9	52%	0.523	49%	0.488	S	S	.	.	H	α-helix	trans	-63.8	-42.1	174.5	-76.5	174.2	-170.7	0	0	111.5	Q298 R299 Y300 H305 L306	Q298-E302 HydrophobicContact CG-CG 4.5Å; Q298-E302 PolarHBondContact NE2-OE1 2.89Å; Q298-E302 WeakPolarHBondContact O-CG 3.5Å; Q298-E302 PolarHBondContact O-N 2.79Å; R299-E302 PolarHBondContact O-N 3.3Å; Y300-E302 PolarHBondContact O-N 2.98Å; E302-H305 PolarHBondContact O-N 2.71Å; E302-L306 VanDerWaalsContact O-CB 3.26Å; E302-L306 WeakPolarHBondContact O-CB 3.49Å; E302-L306 PolarHBondContact O-N 3.27Å
303	E	77.3	Confident	80.6	Confident	103 Å²	103	107.5 Å²	107.5	48%	0.481	50%	0.498	S	S	.	.	H	α-helix	trans	-64.7	-43.8	175.6	-170	-172.6	157.1	0	0	111.7	R299 Y300 L306 K307	R299-E303 PolarHBondContact O-N 3.23Å; Y300-E303 PolarHBondContact O-N 3.14Å; E303-L306 PolarHBondContact O-N 3.48Å; E303-K307 WeakPolarHBondContact O-CG 3.44Å; E303-K307 PolarHBondContact O-N 2.84Å; E303-K307 VanDerWaalsContact OE1-CE 3.24Å; E303-K307 WeakPolarHBondContact OE1-CE 3.33Å; E303-K307 IonicContact OE1-NZ 3.62Å; E303-K307 PolarHBondContact OE1-NZ 3.25Å
304	V	78.5	Confident	79.4	Confident	54 Å²	54	101.6 Å²	101.6	33%	0.327	48%	0.477	S	S	.	.	H	α-helix	trans	-63.1	-47.3	175.4	171.7	0	0	0	0	110.4	Y300 N301 L306 K307 V308	Y300-V304 HydrophobicContact CD1-CG2 4.15Å; Y300-V304 HydrophobicContact CD2-CG2 4.48Å; Y300-V304 HydrophobicContact CE1-CG2 3.73Å; Y300-V304 HydrophobicContact CE2-CG2 4.1Å; Y300-V304 VanDerWaalsContact O-CG2 3.3Å; Y300-V304 WeakPolarHBondContact O-CG2 3.23Å; Y300-V304 PolarHBondContact O-N 2.88Å; N301-V304 PolarHBondContact O-N 3.44Å; V304-L306 VanDerWaalsContact C-N 3.32Å; V304-L306 PolarHBondContact O-N 2.9Å; V304-K307 PolarHBondContact O-N 3.49Å; V304-V308 HydrophobicContact CG1-CG2 4.34Å; V304-V308 VanDerWaalsContact O-CG2 3.3Å; V304-V308 WeakPolarHBondContact O-CG2 3.21Å; V304-V308 PolarHBondContact O-N 3.31Å
305	H	78.9	Confident	78.2	Confident	120 Å²	120	99.9 Å²	99.9	56%	0.556	46%	0.463	S	S	*	.	H	α-helix	trans	-59.3	-43.8	177.6	-175.4	-77.5	0	0	0	111.3	N301 E302 V308 E309	N301-H305 WeakPolarHBondContact O-CB 3.11Å; N301-H305 PolarHBondContact O-N 2.94Å; E302-H305 PolarHBondContact O-N 2.71Å; H305-V308 PolarHBondContact O-N 2.86Å; H305-E309 VanDerWaalsContact CE1-CG 3.46Å; H305-E309 WeakPolarHBondContact CE1-CG 3.48Å; H305-E309 WeakPolarHBondContact O-CB 3.24Å; H305-E309 PolarHBondContact O-N 3.3Å
306	L	75	Confident	77	Confident	98 Å²	98	100.7 Å²	100.7	51%	0.513	48%	0.48	S	S	.	.	H	α-helix	trans	-63.5	-42.5	177	-168.7	74.1	0	0	0	111.6	E302 E303 V304 V308 E309 M310	E302-L306 VanDerWaalsContact O-CB 3.26Å; E302-L306 WeakPolarHBondContact O-CB 3.49Å; E302-L306 PolarHBondContact O-N 3.27Å; E303-L306 PolarHBondContact O-N 3.48Å; V304-L306 VanDerWaalsContact C-N 3.32Å; V304-L306 PolarHBondContact O-N 2.9Å; L306-V308 VanDerWaalsContact C-N 3.35Å; L306-E309 PolarHBondContact O-N 2.84Å; L306-M310 HydrophobicContact CD1-CE 3.91Å; L306-M310 HydrophobicContact CD2-CE 3.55Å; L306-M310 HydrophobicContact CG-CE 3.45Å; L306-M310 VanDerWaalsContact CG-CE 3.45Å; L306-M310 HydrophobicContact CG-SD 4.17Å; L306-M310 VanDerWaalsContact O-CB 3.3Å; L306-M310 WeakPolarHBondContact O-CB 3.41Å; L306-M310 WeakPolarHBondContact O-CG 3.3Å; L306-M310 PolarHBondContact O-N 3.49Å
307	K	72.2	Confident	75.8	Confident	122 Å²	122	98.4 Å²	98.4	53%	0.53	47%	0.47	S	S	.	.	H	α-helix	trans	-62.1	-41.1	174.1	-75.7	175.2	-174.5	165.9	0	111.9	E303 V304 M310 F311	E303-K307 WeakPolarHBondContact O-CG 3.44Å; E303-K307 PolarHBondContact O-N 2.84Å; E303-K307 VanDerWaalsContact OE1-CE 3.24Å; E303-K307 WeakPolarHBondContact OE1-CE 3.33Å; E303-K307 IonicContact OE1-NZ 3.62Å; E303-K307 PolarHBondContact OE1-NZ 3.25Å; V304-K307 PolarHBondContact O-N 3.49Å; K307-M310 PolarHBondContact O-N 2.77Å; K307-F311 WeakPolarHBondContact O-CB 3.42Å; K307-F311 PolarHBondContact O-N 2.72Å
308	V	75.8	Confident	74.9	Confident	74 Å²	74	97.9 Å²	97.9	45%	0.448	48%	0.478	S	S	.	.	H	α-helix	trans	-64.5	-51.3	176.3	171.5	0	0	0	0	110.7	V304 H305 L306 M310 F311 L312	V304-V308 HydrophobicContact CG1-CG2 4.34Å; V304-V308 VanDerWaalsContact O-CG2 3.3Å; V304-V308 WeakPolarHBondContact O-CG2 3.21Å; V304-V308 PolarHBondContact O-N 3.31Å; H305-V308 PolarHBondContact O-N 2.86Å; L306-V308 VanDerWaalsContact C-N 3.35Å; V308-M310 VanDerWaalsContact C-N 3.3Å; V308-M310 PolarHBondContact O-N 3Å; V308-F311 WeakPolarHBondContact O-CB 3.42Å; V308-F311 PolarHBondContact O-N 3.04Å; V308-F311 VanDerWaalsContact O-N 3.14Å; V308-L312 HydrophobicContact CG1-CD1 3.93Å; V308-L312 HydrophobicContact CG1-CG 4.31Å; V308-L312 VanDerWaalsContact O-CG 3.32Å; V308-L312 WeakPolarHBondContact O-CG 3.2Å; V308-L312 PolarHBondContact O-N 3.29Å
309	E	77.1	Confident	74.6	Confident	74 Å²	74	100 Å²	100	35%	0.346	49%	0.486	S	S	.	.	H	α-helix	trans	-58.5	-40.2	176.4	-81.9	-65.8	142.4	0	0	112.4	H305 L306 L312 R313	H305-E309 VanDerWaalsContact CE1-CG 3.46Å; H305-E309 WeakPolarHBondContact CE1-CG 3.48Å; H305-E309 WeakPolarHBondContact O-CB 3.24Å; H305-E309 PolarHBondContact O-N 3.3Å; L306-E309 PolarHBondContact O-N 2.84Å; E309-L312 PolarHBondContact O-N 3.02Å; E309-R313 WeakPolarHBondContact O-CB 3.37Å; E309-R313 WeakPolarHBondContact O-CG 3.2Å; E309-R313 PolarHBondContact O-N 2.87Å
310	M	67.1	Low	75	Confident	56 Å²	56	92.3 Å²	92.3	28%	0.276	46%	0.46	S	S	.	.	H	α-helix	trans	-66.2	-40.7	175.9	-74.4	172.8	-179.4	0	0	112.3	L306 K307 V308 R313 T314 N354	L306-M310 HydrophobicContact CD1-CE 3.91Å; L306-M310 HydrophobicContact CD2-CE 3.55Å; L306-M310 HydrophobicContact CG-CE 3.45Å; L306-M310 VanDerWaalsContact CG-CE 3.45Å; L306-M310 HydrophobicContact CG-SD 4.17Å; L306-M310 VanDerWaalsContact O-CB 3.3Å; L306-M310 WeakPolarHBondContact O-CB 3.41Å; L306-M310 WeakPolarHBondContact O-CG 3.3Å; L306-M310 PolarHBondContact O-N 3.49Å; K307-M310 PolarHBondContact O-N 2.77Å; V308-M310 VanDerWaalsContact C-N 3.3Å; V308-M310 PolarHBondContact O-N 3Å; M310-R313 PolarHBondContact O-N 3.49Å; M310-T314 WeakPolarHBondContact O-CB 3.44Å; M310-T314 PolarHBondContact O-N 2.62Å; M310-T314 VanDerWaalsContact O-N 3.08Å; M310-T314 PolarHBondContact O-OG1 3.38Å; M310-N354 HydrophobicContact CB-CB 4.39Å; M310-N354 HydrophobicContact CG-CB 4.13Å; M310-N354 HydrophobicContact SD-CB 4.29Å
311	F	70	Confident	75.3	Confident	118 Å²	118	87.9 Å²	87.9	52%	0.518	45%	0.449	S	S	.	.	H	α-helix	trans	-61	-51.1	172.9	177.9	-90.3	0	0	0	110.2	K307 V308 R313 T314 Y315	K307-F311 WeakPolarHBondContact O-CB 3.42Å; K307-F311 PolarHBondContact O-N 2.72Å; V308-F311 WeakPolarHBondContact O-CB 3.42Å; V308-F311 PolarHBondContact O-N 3.04Å; V308-F311 VanDerWaalsContact O-N 3.14Å; F311-R313 VanDerWaalsContact C-N 3.31Å; F311-R313 PolarHBondContact O-N 3.23Å; F311-T314 PolarHBondContact O-N 3.13Å; F311-Y315 HydrophobicContact CD1-CD2 4.35Å; F311-Y315 AromaticContact CD2-CD2 3.48Å; F311-Y315 HydrophobicContact CD2-CD2 3.48Å; F311-Y315 VanDerWaalsContact CD2-CD2 3.48Å; F311-Y315 AromaticContact CD2-CE2 3.53Å; F311-Y315 HydrophobicContact CD2-CE2 3.53Å; F311-Y315 HydrophobicContact CE1-CD2 4.28Å; F311-Y315 AromaticContact CE2-CD2 3.4Å; F311-Y315 HydrophobicContact CE2-CD2 3.4Å; F311-Y315 AromaticContact CE2-CE2 3.43Å; F311-Y315 HydrophobicContact CE2-CE2 3.43Å; F311-Y315 VanDerWaalsContact CE2-CE2 3.43Å; F311-Y315 HydrophobicContact CE2-CG 4.15Å; F311-Y315 AromaticContact CG-CD2 3.96Å; F311-Y315 HydrophobicContact CG-CD2 3.96Å; F311-Y315 HydrophobicContact CG-CE2 4.41Å; F311-Y315 AromaticContact CZ-CD2 3.82Å; F311-Y315 HydrophobicContact CZ-CD2 3.82Å; F311-Y315 HydrophobicContact CZ-CE2 4.25Å; F311-Y315 HydrophobicContact CZ-CG 4.16Å; F311-Y315 WeakPolarHBondContact O-CD2 3.08Å; F311-Y315 PolarHBondContact O-N 2.93Å
312	L	73.2	Confident	75.7	Confident	95 Å²	95	92 Å²	92	50%	0.497	46%	0.458	S	S	.	.	H	α-helix	trans	-59.3	-38.8	178.9	-68.3	175.2	0	0	0	112.4	V308 E309 G316	V308-L312 HydrophobicContact CG1-CD1 3.93Å; V308-L312 HydrophobicContact CG1-CG 4.31Å; V308-L312 VanDerWaalsContact O-CG 3.32Å; V308-L312 WeakPolarHBondContact O-CG 3.2Å; V308-L312 PolarHBondContact O-N 3.29Å; E309-L312 PolarHBondContact O-N 3.02Å; L312-G316 WeakPolarHBondContact O-CA 3.45Å; L312-G316 PolarHBondContact O-N 3.33Å
313	R	70.6	Confident	76.3	Confident	196 Å²	196	88.7 Å²	88.7	74%	0.74	44%	0.441	S	S	*	.	H	α-helix	trans	-67.3	-35.6	174.3	-76.9	-175.3	-174.5	-164.2	1.1	113.6	E309 M310 F311	E309-R313 WeakPolarHBondContact O-CB 3.37Å; E309-R313 WeakPolarHBondContact O-CG 3.2Å; E309-R313 PolarHBondContact O-N 2.87Å; M310-R313 PolarHBondContact O-N 3.49Å; F311-R313 VanDerWaalsContact C-N 3.31Å; F311-R313 PolarHBondContact O-N 3.23Å
314	T	66.9	Low	77.2	Confident	16 Å²	16	86.5 Å²	86.5	10%	0.098	44%	0.435	C	S	.	.	H	α-helix	trans	-74.6	-43.2	-177.9	-53.3	0	0	0	0	111.3	M310 F311 L352 N354 L392	M310-T314 WeakPolarHBondContact O-CB 3.44Å; M310-T314 PolarHBondContact O-N 2.62Å; M310-T314 VanDerWaalsContact O-N 3.08Å; M310-T314 PolarHBondContact O-OG1 3.38Å; F311-T314 PolarHBondContact O-N 3.13Å; T314-L352 HydrophobicContact CG2-CD1 4.38Å; T314-N354 PolarHBondContact OG1-ND2 3Å; T314-L392 HydrophobicContact CG2-CD2 3.61Å
315	Y	68.7	Low	77.9	Confident	67 Å²	67	85.4 Å²	85.4	26%	0.263	43%	0.426	S	S	.	.	H	α-helix	trans	-100	-6.5	-174.3	-67.1	-85.4	0	0	0	113.5	F311 T317 H390 L392	F311-Y315 HydrophobicContact CD1-CD2 4.35Å; F311-Y315 AromaticContact CD2-CD2 3.48Å; F311-Y315 HydrophobicContact CD2-CD2 3.48Å; F311-Y315 VanDerWaalsContact CD2-CD2 3.48Å; F311-Y315 AromaticContact CD2-CE2 3.53Å; F311-Y315 HydrophobicContact CD2-CE2 3.53Å; F311-Y315 HydrophobicContact CE1-CD2 4.28Å; F311-Y315 AromaticContact CE2-CD2 3.4Å; F311-Y315 HydrophobicContact CE2-CD2 3.4Å; F311-Y315 AromaticContact CE2-CE2 3.43Å; F311-Y315 HydrophobicContact CE2-CE2 3.43Å; F311-Y315 VanDerWaalsContact CE2-CE2 3.43Å; F311-Y315 HydrophobicContact CE2-CG 4.15Å; F311-Y315 AromaticContact CG-CD2 3.96Å; F311-Y315 HydrophobicContact CG-CD2 3.96Å; F311-Y315 HydrophobicContact CG-CE2 4.41Å; F311-Y315 AromaticContact CZ-CD2 3.82Å; F311-Y315 HydrophobicContact CZ-CD2 3.82Å; F311-Y315 HydrophobicContact CZ-CE2 4.25Å; F311-Y315 HydrophobicContact CZ-CG 4.16Å; F311-Y315 WeakPolarHBondContact O-CD2 3.08Å; F311-Y315 PolarHBondContact O-N 2.93Å; Y315-T317 VanDerWaalsContact C-N 3.31Å; Y315-H390 AromaticContact CD1-CD2 3.63Å; Y315-H390 AromaticContact CD1-NE2 3.97Å; Y315-H390 AromaticContact CE1-CD2 3.46Å; Y315-H390 VanDerWaalsContact CE1-CD2 3.46Å; Y315-H390 WeakPolarHBondContact CE1-CD2 3.3Å; Y315-L392 HydrophobicContact CE1-CD2 4.14Å
316	G	64.6	Low	78.7	Confident	64 Å²	64	83 Å²	83	66%	0.66	42%	0.422	S	S	*	.	S	Bend	trans	-76.9	-15.5	176.8	0	0	0	0	0	113.8	L312	L312-G316 WeakPolarHBondContact O-CA 3.45Å; L312-G316 PolarHBondContact O-N 3.33Å
317	T	65.7	Low	79.7	Confident	66 Å²	66	82.2 Å²	82.2	41%	0.405	42%	0.416	S	S	.	.			trans	-87.3	118.8	174.6	54.7	0	0	0	0	110.3	Y315 K319	Y315-T317 VanDerWaalsContact C-N 3.31Å; T317-K319 PolarHBondContact O-N 2.93Å; T317-K319 VanDerWaalsContact O-N 3.12Å
318	S	69.4	Low	80.8	Confident	83 Å²	83	76.4 Å²	76.4	58%	0.58	39%	0.391	S	S	*	.	S	Bend	trans	-71.9	-2.5	-179.6	72.8	0	0	0	0	114.7
319	K	83	Confident	81.8	Confident	162 Å²	162	77.5 Å²	77.5	70%	0.704	39%	0.389	S	S	*	.	S	Bend	trans	-129.7	141.2	-176.2	-66.1	-179	-177.2	176.2	0	109.8	T317	T317-K319 PolarHBondContact O-N 2.93Å; T317-K319 VanDerWaalsContact O-N 3.12Å
320	P	90.2	Very high	82.7	Confident	25 Å²	25	81.2 Å²	81.2	16%	0.162	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-64.3	139.3	178	24.4	-33.2	0	0	0	111.1	G381 L391 F394	P320-G381 WeakPolarHBondContact CD-O 3.01Å; P320-L391 HydrophobicContact CB-CD2 4.15Å; P320-L391 HydrophobicContact CB-CG 4.1Å; P320-L391 HydrophobicContact CG-CD2 4.16Å; P320-F394 HydrophobicContact CB-CD1 4.07Å; P320-F394 HydrophobicContact CB-CE1 4.42Å; P320-F394 HydrophobicContact CG-CD1 4.1Å; P320-F394 HydrophobicContact CG-CE1 4.15Å
321	T	91.2	Very high	84.2	Confident	58 Å²	58	79.1 Å²	79.1	36%	0.356	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	132.4	-179.5	-63.6	0	0	0	0	110.8	Y323 L392 G393 F394	T321-Y323 HydrophobicContact CG2-CD2 4.14Å; T321-Y323 HydrophobicContact CG2-CE1 4.13Å; T321-Y323 HydrophobicContact CG2-CE2 3.67Å; T321-Y323 VanDerWaalsContact O-CD2 3.26Å; T321-Y323 WeakPolarHBondContact O-CD2 3.3Å; T321-L392 PolarHBondContact N-O 2.72Å; T321-G393 CarbonylContact O-C 3.55Å; T321-G393 WeakPolarHBondContact O-CA 3.45Å; T321-F394 PolarHBondContact O-N 3.08Å
322	R	92.6	Very high	85.4	Confident	169 Å²	169	73.6 Å²	73.6	64%	0.638	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	122.1	171.4	-172.5	174.5	-176.2	175.4	2.6	110.1	F394 S396	R322-F394 WeakPolarHBondContact CA-O 2.89Å; R322-F394 HydrophobicContact CB-CE1 4.35Å; R322-F394 HydrophobicContact CB-CE2 4.03Å; R322-F394 HydrophobicContact CB-CZ 3.83Å; R322-F394 HydrophobicContact CG-CD2 4.32Å; R322-F394 HydrophobicContact CG-CE2 3.71Å; R322-F394 HydrophobicContact CG-CZ 4.03Å; R322-S396 PolarHBondContact NH2-O 3.46Å; R322-S396 VanDerWaalsContact NH2-O 3.14Å
323	Y	94.6	Very high	86.5	Confident	43 Å²	43	77.2 Å²	77.2	17%	0.169	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	151.5	175.9	-66.7	-86.6	0	0	0	111.5	T321 Q327 I331 F394 C395 I404	T321-Y323 HydrophobicContact CG2-CD2 4.14Å; T321-Y323 HydrophobicContact CG2-CE1 4.13Å; T321-Y323 HydrophobicContact CG2-CE2 3.67Å; T321-Y323 VanDerWaalsContact O-CD2 3.26Å; T321-Y323 WeakPolarHBondContact O-CD2 3.3Å; Y323-Q327 HydrophobicContact CD1-CB 4.06Å; Y323-I331 HydrophobicContact CD1-CD1 4.01Å; Y323-I331 HydrophobicContact CE1-CD1 4.05Å; Y323-I331 HydrophobicContact CG-CD1 4.42Å; Y323-F394 PolarHBondContact N-O 3.45Å; Y323-C395 WeakPolarHBondContact O-CA 3.4Å; Y323-I404 HydrophobicContact CD2-CD1 3.3Å; Y323-I404 HydrophobicContact CE2-CD1 3.7Å; Y323-I404 HydrophobicContact CG-CD1 3.94Å
324	T	95.3	Very high	87.6	Confident	57 Å²	57	77.1 Å²	77.1	35%	0.35	38%	0.377	S	S	.	.			trans	-79.2	157.5	166.7	60.5	0	0	0	0	111	S326 Q327 V328 E397	T324-S326 PolarHBondContact O-N 2.78Å; T324-Q327 WeakPolarHBondContact O-CB 3.34Å; T324-Q327 PolarHBondContact O-N 2.67Å; T324-Q327 VanDerWaalsContact OG1-CD 3.31Å; T324-Q327 VanDerWaalsContact OG1-CG 3.27Å; T324-Q327 WeakPolarHBondContact OG1-CG 3.5Å; T324-Q327 PolarHBondContact OG1-N 3.29Å; T324-Q327 PolarHBondContact OG1-OE1 3.08Å; T324-V328 PolarHBondContact O-N 2.84Å; T324-E397 WeakPolarHBondContact CA-OE1 3.43Å; T324-E397 WeakPolarHBondContact CB-OE1 3.44Å; T324-E397 WeakPolarHBondContact CG2-OE1 3.34Å
325	F	94.4	Very high	88.9	Confident	31 Å²	31	78.6 Å²	78.6	14%	0.136	38%	0.382	C	S	.	.	H	α-helix	trans	-62.9	-33.2	178	-177	-103.2	0	0	0	111.9	Q327 V328 K329 F335 M362 E397 R400	F325-Q327 VanDerWaalsContact C-N 3.32Å; F325-Q327 PolarHBondContact O-N 3.26Å; F325-V328 PolarHBondContact O-N 3.49Å; F325-K329 WeakPolarHBondContact O-CB 3.43Å; F325-K329 PolarHBondContact O-N 2.87Å; F325-F335 HydrophobicContact CE2-CE2 4.4Å; F325-F335 AromaticContact CE2-CZ 3.87Å; F325-F335 HydrophobicContact CE2-CZ 3.87Å; F325-F335 AromaticContact CZ-CE2 3.96Å; F325-F335 HydrophobicContact CZ-CE2 3.96Å; F325-F335 AromaticContact CZ-CZ 3.9Å; F325-F335 HydrophobicContact CZ-CZ 3.9Å; F325-M362 HydrophobicContact CE2-CE 3.88Å; F325-E397 WeakPolarHBondContact CB-OE2 3.39Å; F325-E397 VanDerWaalsContact N-CD 3.3Å; F325-E397 PolarHBondContact N-OE1 2.92Å; F325-E397 PolarHBondContact N-OE2 3.21Å; F325-E397 VanDerWaalsContact N-OE2 3.12Å; F325-R400 HydrophobicContact CD2-CB 3.91Å; F325-R400 HydrophobicContact CD2-CG 4.31Å; F325-R400 HydrophobicContact CE2-CB 4.27Å; F325-R400 HydrophobicContact CE2-CG 4.35Å; F325-R400 HydrophobicContact CG-CB 4.49Å
326	S	94.9	Very high	90.1	Very high	68 Å²	68	83.8 Å²	83.8	48%	0.476	41%	0.406	S	S	.	.	H	α-helix	trans	-60.1	-41.7	173.4	-177.1	0	0	0	0	111.9	T324 K329 K330	T324-S326 PolarHBondContact O-N 2.78Å; S326-K329 PolarHBondContact O-N 2.86Å; S326-K330 WeakPolarHBondContact O-CG 3.38Å; S326-K330 PolarHBondContact O-N 2.79Å; S326-K330 VanDerWaalsContact O-N 3.11Å
327	Q	96.4	Very high	91.5	Very high	82 Å²	82	85.4 Å²	85.4	38%	0.383	40%	0.396	S	S	.	.	H	α-helix	trans	-67.5	-43.1	174.5	-72.9	163.9	-44.2	0	0	111.7	Y323 T324 F325 K329 K330 I331	Y323-Q327 HydrophobicContact CD1-CB 4.06Å; T324-Q327 WeakPolarHBondContact O-CB 3.34Å; T324-Q327 PolarHBondContact O-N 2.67Å; T324-Q327 VanDerWaalsContact OG1-CD 3.31Å; T324-Q327 VanDerWaalsContact OG1-CG 3.27Å; T324-Q327 WeakPolarHBondContact OG1-CG 3.5Å; T324-Q327 PolarHBondContact OG1-N 3.29Å; T324-Q327 PolarHBondContact OG1-OE1 3.08Å; F325-Q327 VanDerWaalsContact C-N 3.32Å; F325-Q327 PolarHBondContact O-N 3.26Å; Q327-K329 VanDerWaalsContact C-N 3.31Å; Q327-K329 PolarHBondContact O-N 3.4Å; Q327-K330 WeakPolarHBondContact O-CA 3.32Å; Q327-K330 WeakPolarHBondContact O-CB 3.44Å; Q327-K330 PolarHBondContact O-N 3.14Å; Q327-I331 WeakPolarHBondContact O-CG1 3.3Å; Q327-I331 PolarHBondContact O-N 3.03Å
328	V	96.4	Very high	92.9	Very high	0 Å²	0	87.5 Å²	87.5	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-57.4	-45.8	174.8	175.6	0	0	0	0	111	T324 F325 K330 I331 T332 F335 V360 M362 C395 A402 I404	T324-V328 PolarHBondContact O-N 2.84Å; F325-V328 PolarHBondContact O-N 3.49Å; V328-K330 PolarHBondContact O-N 2.97Å; V328-I331 PolarHBondContact O-N 2.91Å; V328-I331 VanDerWaalsContact O-N 3.14Å; V328-T332 HydrophobicContact CG1-CG2 4.39Å; V328-T332 PolarHBondContact O-N 3Å; V328-T332 PolarHBondContact O-OG1 3.45Å; V328-T332 VanDerWaalsContact O-OG1 3.12Å; V328-F335 HydrophobicContact CG1-CE1 4.13Å; V328-F335 HydrophobicContact CG1-CZ 4.31Å; V328-V360 HydrophobicContact CG1-CG1 3.74Å; V328-M362 HydrophobicContact CG1-SD 4.15Å; V328-C395 HydrophobicContact CG2-CB 3.57Å; V328-A402 HydrophobicContact CG1-CB 4.4Å; V328-I404 HydrophobicContact CG2-CD1 4.33Å
329	K	95.8	Very high	93.9	Very high	97 Å²	97	86.8 Å²	86.8	42%	0.422	39%	0.392	S	S	.	.	H	α-helix	trans	-60.3	-32.5	176.1	-169.3	175.3	-175.9	175	0	112.4	F325 S326 Q327 R333 R334 F335	F325-K329 WeakPolarHBondContact O-CB 3.43Å; F325-K329 PolarHBondContact O-N 2.87Å; S326-K329 PolarHBondContact O-N 2.86Å; Q327-K329 VanDerWaalsContact C-N 3.31Å; Q327-K329 PolarHBondContact O-N 3.4Å; K329-R333 PolarHBondContact O-N 3.41Å; K329-R334 HydrophobicContact CG-CB 4.39Å; K329-R334 HydrophobicContact CG-CG 4.15Å; K329-R334 WeakPolarHBondContact O-CA 3.4Å; K329-R334 PolarHBondContact O-N 3.44Å; K329-F335 HydrophobicContact CB-CE2 4.3Å; K329-F335 HydrophobicContact CG-CE2 4.1Å
330	K	96.5	Very high	94	Very high	153 Å²	153	80.5 Å²	80.5	67%	0.665	37%	0.373	S	S	*	.	H	α-helix	trans	-72.6	-46.2	172.9	-70.8	173.4	-176.9	179.5	0	111.5	S326 Q327 V328 T332 R333	S326-K330 WeakPolarHBondContact O-CG 3.38Å; S326-K330 PolarHBondContact O-N 2.79Å; S326-K330 VanDerWaalsContact O-N 3.11Å; Q327-K330 WeakPolarHBondContact O-CA 3.32Å; Q327-K330 WeakPolarHBondContact O-CB 3.44Å; Q327-K330 PolarHBondContact O-N 3.14Å; V328-K330 PolarHBondContact O-N 2.97Å; K330-T332 VanDerWaalsContact C-N 3.3Å; K330-T332 PolarHBondContact O-N 3Å; K330-R333 PolarHBondContact O-N 2.88Å
331	I	97	Very high	93.8	Very high	12 Å²	12	84.9 Å²	84.9	6%	0.062	39%	0.391	C	S	.	.	H	α-helix	trans	-55.9	-44.7	178.7	-70.7	164.8	0	0	0	110.8	Y323 Q327 V328 R333 G350 K351 L352 V358 V360 I404	Y323-I331 HydrophobicContact CD1-CD1 4.01Å; Y323-I331 HydrophobicContact CE1-CD1 4.05Å; Y323-I331 HydrophobicContact CG-CD1 4.42Å; Q327-I331 WeakPolarHBondContact O-CG1 3.3Å; Q327-I331 PolarHBondContact O-N 3.03Å; V328-I331 PolarHBondContact O-N 2.91Å; V328-I331 VanDerWaalsContact O-N 3.14Å; I331-R333 VanDerWaalsContact C-N 3.28Å; I331-R333 PolarHBondContact O-N 3.45Å; I331-G350 CarbonylContact O-C 3.48Å; I331-G350 WeakPolarHBondContact O-CA 3.48Å; I331-K351 PolarHBondContact O-N 2.88Å; I331-L352 HydrophobicContact CD1-CD2 3.78Å; I331-L352 HydrophobicContact CG1-CD2 4.2Å; I331-L352 HydrophobicContact CG2-CD2 4.43Å; I331-V358 HydrophobicContact CG2-CG2 3.55Å; I331-V360 HydrophobicContact CG2-CG2 4.05Å; I331-I404 HydrophobicContact CD1-CD1 4.27Å
332	T	96.4	Very high	92.8	Very high	2 Å²	2	84.4 Å²	84.4	1%	0.012	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	5.1	-179.5	63.1	0	0	0	0	114	V328 K330 R334 F335 K336 V360	V328-T332 HydrophobicContact CG1-CG2 4.39Å; V328-T332 PolarHBondContact O-N 3Å; V328-T332 PolarHBondContact O-OG1 3.45Å; V328-T332 VanDerWaalsContact O-OG1 3.12Å; K330-T332 VanDerWaalsContact C-N 3.3Å; K330-T332 PolarHBondContact O-N 3Å; T332-R334 VanDerWaalsContact C-N 3.25Å; T332-R334 PolarHBondContact O-N 2.93Å; T332-F335 HydrophobicContact CG2-CD1 3.95Å; T332-F335 HydrophobicContact CG2-CE1 4.02Å; T332-F335 PolarHBondContact O-N 3.38Å; T332-F335 VanDerWaalsContact OG1-CD1 3.28Å; T332-F335 WeakPolarHBondContact OG1-CD1 3.38Å; T332-F335 WeakPolarHBondContact OG1-CE1 3.19Å; T332-F335 PolarHBondContact OG1-N 2.79Å; T332-K336 PolarHBondContact O-N 2.83Å; T332-V360 HydrophobicContact CG2-CB 3.67Å; T332-V360 HydrophobicContact CG2-CG1 3.87Å; T332-V360 HydrophobicContact CG2-CG2 3.58Å
333	R	95	Very high	91.7	Very high	170 Å²	170	80 Å²	80	64%	0.642	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	46.7	-174.1	-59.9	176.7	175.2	-179.1	-4.9	112.3	K329 K330 I331 K336	K329-R333 PolarHBondContact O-N 3.41Å; K330-R333 PolarHBondContact O-N 2.88Å; I331-R333 VanDerWaalsContact C-N 3.28Å; I331-R333 PolarHBondContact O-N 3.45Å; R333-K336 HydrophobicContact CB-CB 4.43Å
334	R	94.6	Very high	90.4	Very high	195 Å²	195	81 Å²	81	74%	0.736	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	43.2	-173.4	-50	177.7	177.9	-178.6	-0.1	112.8	K329 T332 K336	K329-R334 HydrophobicContact CG-CB 4.39Å; K329-R334 HydrophobicContact CG-CG 4.15Å; K329-R334 WeakPolarHBondContact O-CA 3.4Å; K329-R334 PolarHBondContact O-N 3.44Å; T332-R334 VanDerWaalsContact C-N 3.25Å; T332-R334 PolarHBondContact O-N 2.93Å; R334-K336 VanDerWaalsContact C-N 3.29Å; R334-K336 PolarHBondContact O-N 3.2Å
335	F	93.6	Very high	89.9	Confident	46 Å²	46	78.7 Å²	78.7	20%	0.202	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	37	176	-49.8	-74.2	0	0	0	113.3	F325 V328 K329 T332 Y348 M362	F325-F335 HydrophobicContact CE2-CE2 4.4Å; F325-F335 AromaticContact CE2-CZ 3.87Å; F325-F335 HydrophobicContact CE2-CZ 3.87Å; F325-F335 AromaticContact CZ-CE2 3.96Å; F325-F335 HydrophobicContact CZ-CE2 3.96Å; F325-F335 AromaticContact CZ-CZ 3.9Å; F325-F335 HydrophobicContact CZ-CZ 3.9Å; V328-F335 HydrophobicContact CG1-CE1 4.13Å; V328-F335 HydrophobicContact CG1-CZ 4.31Å; K329-F335 HydrophobicContact CB-CE2 4.3Å; K329-F335 HydrophobicContact CG-CE2 4.1Å; T332-F335 HydrophobicContact CG2-CD1 3.95Å; T332-F335 HydrophobicContact CG2-CE1 4.02Å; T332-F335 PolarHBondContact O-N 3.38Å; T332-F335 VanDerWaalsContact OG1-CD1 3.28Å; T332-F335 WeakPolarHBondContact OG1-CD1 3.38Å; T332-F335 WeakPolarHBondContact OG1-CE1 3.19Å; T332-F335 PolarHBondContact OG1-N 2.79Å; F335-Y348 HydrophobicContact CB-CD1 3.73Å; F335-Y348 HydrophobicContact CB-CE1 3.6Å; F335-Y348 HydrophobicContact CB-CE2 4.44Å; F335-Y348 HydrophobicContact CB-CG 4.21Å; F335-Y348 HydrophobicContact CD1-CD1 4.33Å; F335-Y348 AromaticContact CD1-CD2 3.75Å; F335-Y348 HydrophobicContact CD1-CD2 3.75Å; F335-Y348 AromaticContact CD1-CE2 3.93Å; F335-Y348 HydrophobicContact CD1-CE2 3.93Å; F335-Y348 AromaticContact CD1-CG 3.95Å; F335-Y348 HydrophobicContact CD1-CG 3.95Å; F335-Y348 HydrophobicContact CG-CE1 4.48Å; F335-Y348 WeakPolarHBondContact O-CE1 3.34Å; F335-M362 HydrophobicContact CD1-CG 4.33Å; F335-M362 HydrophobicContact CE1-CE 4.39Å; F335-M362 HydrophobicContact CE1-CG 3.94Å; F335-M362 HydrophobicContact CE1-SD 3.61Å; F335-M362 HydrophobicContact CZ-CE 4.46Å; F335-M362 HydrophobicContact CZ-SD 4.19Å
336	K	93.8	Very high	89.7	Confident	177 Å²	177	77.2 Å²	77.2	77%	0.77	39%	0.391	S	S	*	.			trans	-68.9	-39.6	-171.5	-176.7	179.5	179.7	-177.2	0	113.6	T332 R333 R334	T332-K336 PolarHBondContact O-N 2.83Å; R333-K336 HydrophobicContact CB-CB 4.43Å; R334-K336 VanDerWaalsContact C-N 3.29Å; R334-K336 PolarHBondContact O-N 3.2Å
337	E	95.1	Very high	89.7	Confident	98 Å²	98	75.9 Å²	75.9	46%	0.458	38%	0.38	S	S	.	.			trans	-115.8	100.7	-172.1	-171.7	176.1	161.5	0	0	109.3	Y348 K349	E337-Y348 CarbonylContact O-C 3.57Å; E337-Y348 VanDerWaalsContact O-CA 3.28Å; E337-Y348 WeakPolarHBondContact O-CA 3.43Å; E337-K349 HydrophobicContact CB-CB 4.17Å; E337-K349 HydrophobicContact CG-CB 4.07Å; E337-K349 HydrophobicContact CG-CD 4.33Å; E337-K349 PolarHBondContact O-N 3.43Å; E337-K349 WeakPolarHBondContact OE1-CD 3.3Å; E337-K349 IonicContact OE1-NZ 3.38Å; E337-K349 PolarHBondContact OE1-NZ 2.77Å
338	K	94.4	Very high	89.7	Confident	110 Å²	110	73.8 Å²	73.8	48%	0.478	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	128	174.3	-177.1	-179	178.7	-174.5	0	109	Q341 T346 Y348	K338-Q341 VanDerWaalsContact CE-CB 3.44Å; K338-T346 HydrophobicContact CD-CG2 4Å; K338-T346 HydrophobicContact CG-CG2 3.8Å; K338-Y348 HydrophobicContact CB-CD1 4.23Å; K338-Y348 HydrophobicContact CB-CE1 4.17Å; K338-Y348 HydrophobicContact CG-CE1 4.49Å
339	V	90	Very high	89.7	Confident	68 Å²	68	77 Å²	77	41%	0.412	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-36	-179.7	-179.4	0	0	0	0	110.8	V347 K349 F407	V339-V347 HydrophobicContact CB-CG1 4.35Å; V339-V347 PolarHBondContact N-O 3.41Å; V339-K349 HydrophobicContact CG2-CB 3.71Å; V339-F407 HydrophobicContact CG2-CE2 4.23Å
340	G	86.1	Confident	89.7	Confident	30 Å²	30	72.9 Å²	72.9	31%	0.309	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	165.7	179.5	0	0	0	0	0	112.1	V347	G340-V347 PolarHBondContact N-O 2.87Å; G340-V347 PolarHBondContact O-N 3.19Å
341	Q	84.9	Confident	89.7	Confident	117 Å²	117	70.8 Å²	70.8	55%	0.547	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	138.2	172	179.7	177	20.7	0	0	108.9	K338 G345 T346 E364	K338-Q341 VanDerWaalsContact CE-CB 3.44Å; Q341-G345 WeakPolarHBondContact CA-O 3.49Å; Q341-T346 HydrophobicContact CB-CG2 4.45Å; Q341-T346 WeakPolarHBondContact CG-OG1 3.24Å; Q341-E364 PolarHBondContact NE2-OE2 3.42Å
342	G	71.9	Confident	89.4	Confident	47 Å²	47	70.9 Å²	70.9	49%	0.485	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	-168.6	177	0	0	0	0	0	111.4	F344 G345	G342-F344 PolarHBondContact O-N 3.5Å; G342-G345 PolarHBondContact N-O 2.88Å; G342-G345 PolarHBondContact O-N 2.86Å
343	G	68.7	Low	88.9	Confident	77 Å²	77	79.5 Å²	79.5	79%	0.794	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.7	-178.9	0	0	0	0	0	114.6
344	F	68.3	Low	88.1	Confident	65 Å²	65	73.7 Å²	73.7	29%	0.285	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	6.5	179	-54.3	-77	0	0	0	113.8	G342 K361 L363 D478	G342-F344 PolarHBondContact O-N 3.5Å; F344-K361 VanDerWaalsContact CB-CE 3.46Å; F344-L363 WeakPolarHBondContact O-CD2 3.01Å; F344-D478 VanDerWaalsContact CD2-OD2 3.3Å; F344-D478 WeakPolarHBondContact CD2-OD2 3.37Å; F344-D478 WeakPolarHBondContact CE2-OD2 3.44Å
345	G	83.1	Confident	87.7	Confident	7 Å²	7	65.6 Å²	65.6	7%	0.072	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	111.1	-161.1	177.5	0	0	0	0	0	114.4	Q341 G342 M362	Q341-G345 WeakPolarHBondContact CA-O 3.49Å; G342-G345 PolarHBondContact N-O 2.88Å; G342-G345 PolarHBondContact O-N 2.86Å; G345-M362 CarbonylContact C-O 3.58Å; G345-M362 VanDerWaalsContact CA-O 3.3Å; G345-M362 WeakPolarHBondContact CA-O 3.35Å
346	T	91.3	Very high	87.4	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.006	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.6	-172.9	-60.3	0	0	0	0	111.6	K338 Q341 Y348 M362 E364	K338-T346 HydrophobicContact CD-CG2 4Å; K338-T346 HydrophobicContact CG-CG2 3.8Å; Q341-T346 HydrophobicContact CB-CG2 4.45Å; Q341-T346 WeakPolarHBondContact CG-OG1 3.24Å; T346-Y348 HydrophobicContact CG2-CD2 4.11Å; T346-Y348 HydrophobicContact CG2-CE1 3.99Å; T346-Y348 HydrophobicContact CG2-CE2 3.4Å; T346-Y348 VanDerWaalsContact CG2-CE2 3.4Å; T346-Y348 WeakPolarHBondContact CG2-OH 3.12Å; T346-M362 PolarHBondContact N-O 3.26Å; T346-M362 WeakPolarHBondContact O-CB 3.46Å; T346-M362 PolarHBondContact O-N 3.47Å; T346-E364 WeakPolarHBondContact CB-OE1 3.13Å; T346-E364 PolarHBondContact OG1-OE1 2.97Å; T346-E364 PolarHBondContact OG1-OE2 3.4Å
347	V	93.9	Very high	87.4	Confident	39 Å²	39	58.6 Å²	58.6	24%	0.236	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.6	178.5	-173.9	0	0	0	0	110.1	V339 G340 A359 V360 K361	V339-V347 HydrophobicContact CB-CG1 4.35Å; V339-V347 PolarHBondContact N-O 3.41Å; G340-V347 PolarHBondContact N-O 2.87Å; G340-V347 PolarHBondContact O-N 3.19Å; V347-A359 HydrophobicContact CG1-CB 3.98Å; V347-V360 CarbonylContact C-O 3.47Å; V347-V360 WeakPolarHBondContact CA-O 2.86Å; V347-K361 HydrophobicContact CG2-CB 4.1Å; V347-K361 HydrophobicContact CG2-CG 4.09Å
348	Y	96.7	Very high	87.4	Confident	39 Å²	39	53.9 Å²	53.9	15%	0.153	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145	177.7	-61.2	-88.1	0	0	0	111	F335 E337 K338 T346 A359 V360 M362	F335-Y348 HydrophobicContact CB-CD1 3.73Å; F335-Y348 HydrophobicContact CB-CE1 3.6Å; F335-Y348 HydrophobicContact CB-CE2 4.44Å; F335-Y348 HydrophobicContact CB-CG 4.21Å; F335-Y348 HydrophobicContact CD1-CD1 4.33Å; F335-Y348 AromaticContact CD1-CD2 3.75Å; F335-Y348 HydrophobicContact CD1-CD2 3.75Å; F335-Y348 AromaticContact CD1-CE2 3.93Å; F335-Y348 HydrophobicContact CD1-CE2 3.93Å; F335-Y348 AromaticContact CD1-CG 3.95Å; F335-Y348 HydrophobicContact CD1-CG 3.95Å; F335-Y348 HydrophobicContact CG-CE1 4.48Å; F335-Y348 WeakPolarHBondContact O-CE1 3.34Å; E337-Y348 CarbonylContact O-C 3.57Å; E337-Y348 VanDerWaalsContact O-CA 3.28Å; E337-Y348 WeakPolarHBondContact O-CA 3.43Å; K338-Y348 HydrophobicContact CB-CD1 4.23Å; K338-Y348 HydrophobicContact CB-CE1 4.17Å; K338-Y348 HydrophobicContact CG-CE1 4.49Å; T346-Y348 HydrophobicContact CG2-CD2 4.11Å; T346-Y348 HydrophobicContact CG2-CE1 3.99Å; T346-Y348 HydrophobicContact CG2-CE2 3.4Å; T346-Y348 VanDerWaalsContact CG2-CE2 3.4Å; T346-Y348 WeakPolarHBondContact CG2-OH 3.12Å; Y348-A359 CarbonylContact O-C 2.98Å; Y348-V360 PolarHBondContact N-O 3.31Å; Y348-V360 PolarHBondContact O-N 3.03Å; Y348-M362 HydrophobicContact CD2-CB 4.49Å; Y348-M362 HydrophobicContact CD2-CG 3.69Å; Y348-M362 HydrophobicContact CE2-CB 4.14Å; Y348-M362 HydrophobicContact CE2-CG 3.61Å
349	K	96.8	Very high	87.6	Confident	67 Å²	67	49.4 Å²	49.4	29%	0.291	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	141.1	169.7	-162.3	-179.9	-174.2	172.6	0	109.8	E337 V339 F407	E337-K349 HydrophobicContact CB-CB 4.17Å; E337-K349 HydrophobicContact CG-CB 4.07Å; E337-K349 HydrophobicContact CG-CD 4.33Å; E337-K349 PolarHBondContact O-N 3.43Å; E337-K349 WeakPolarHBondContact OE1-CD 3.3Å; E337-K349 IonicContact OE1-NZ 3.38Å; E337-K349 PolarHBondContact OE1-NZ 2.77Å; V339-K349 HydrophobicContact CG2-CB 3.71Å; K349-F407 HydrophobicContact CD-CE2 4.09Å; K349-F407 HydrophobicContact CD-CZ 4.12Å; K349-F407 HydrophobicContact CG-CD2 4.01Å; K349-F407 HydrophobicContact CG-CE2 3.89Å; K349-F407 HydrophobicContact CG-CZ 4.38Å
350	G	96.5	Very high	87.9	Confident	10 Å²	10	46.1 Å²	46.1	10%	0.103	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	177.6	177.5	0	0	0	0	0	112.4	I331 V358	I331-G350 CarbonylContact O-C 3.48Å; I331-G350 WeakPolarHBondContact O-CA 3.48Å; G350-V358 PolarHBondContact N-O 3.34Å; G350-V358 PolarHBondContact O-N 3.17Å
351	K	95.3	Very high	88.2	Confident	109 Å²	109	45.7 Å²	45.7	47%	0.474	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	125.1	174.3	-163	176.6	-171.9	176.9	0	108.4	I331 G355 V356	I331-K351 PolarHBondContact O-N 2.88Å; K351-G355 VanDerWaalsContact CE-C 3.46Å; K351-G355 WeakPolarHBondContact CE-O 3.37Å; K351-G355 WeakPolarHBondContact CG-O 3.46Å; K351-V356 WeakPolarHBondContact CA-O 3.46Å
352	L	91.8	Very high	88.6	Confident	14 Å²	14	41.2 Å²	41.2	7%	0.073	25%	0.25	C	S	.	.			trans	-64.6	164.5	172.5	-66.3	-179	0	0	0	110.3	T314 I331 N354 G355 V356 V358 L392 I404	T314-L352 HydrophobicContact CG2-CD1 4.38Å; I331-L352 HydrophobicContact CD1-CD2 3.78Å; I331-L352 HydrophobicContact CG1-CD2 4.2Å; I331-L352 HydrophobicContact CG2-CD2 4.43Å; L352-N354 WeakPolarHBondContact CB-OD1 2.97Å; L352-N354 PolarHBondContact O-N 2.88Å; L352-G355 WeakPolarHBondContact O-CA 3.45Å; L352-G355 PolarHBondContact O-N 2.87Å; L352-V356 HydrophobicContact CB-CB 4.45Å; L352-V356 HydrophobicContact CD1-CB 4.26Å; L352-V356 PolarHBondContact N-O 3.27Å; L352-V358 HydrophobicContact CD1-CG1 3.91Å; L352-V358 HydrophobicContact CD2-CG1 4.22Å; L352-V358 HydrophobicContact CD2-CG2 4.41Å; L352-V358 HydrophobicContact CG-CG1 3.65Å; L352-V358 HydrophobicContact CG-CG2 4.38Å; L352-L392 HydrophobicContact CD1-CD1 4.33Å; L352-I404 HydrophobicContact CD2-CG2 4.48Å
353	L	85.6	Confident	89.3	Confident	183 Å²	183	40.6 Å²	40.6	96%	0.958	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-32.8	-179.4	-72.2	171.9	0	0	0	112.9	G355	L353-G355 PolarHBondContact O-N 2.67Å
354	N	78.8	Confident	89.4	Confident	48 Å²	48	41.5 Å²	41.5	26%	0.257	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-2.9	175.7	63.6	-0.3	0	0	0	113.7	M310 T314 L352 V356	M310-N354 HydrophobicContact CB-CB 4.39Å; M310-N354 HydrophobicContact CG-CB 4.13Å; M310-N354 HydrophobicContact SD-CB 4.29Å; T314-N354 PolarHBondContact OG1-ND2 3Å; L352-N354 WeakPolarHBondContact CB-OD1 2.97Å; L352-N354 PolarHBondContact O-N 2.88Å; N354-V356 WeakPolarHBondContact OD1-CG2 3.05Å; N354-V356 PolarHBondContact OD1-N 3.28Å
355	G	85.1	Confident	89.2	Confident	25 Å²	25	43.3 Å²	43.3	26%	0.258	23%	0.232	S	C	.	.			trans	93.6	0.7	175.1	0	0	0	0	0	116.4	K351 L352 L353	K351-G355 VanDerWaalsContact CE-C 3.46Å; K351-G355 WeakPolarHBondContact CE-O 3.37Å; K351-G355 WeakPolarHBondContact CG-O 3.46Å; L352-G355 WeakPolarHBondContact O-CA 3.45Å; L352-G355 PolarHBondContact O-N 2.87Å; L353-G355 PolarHBondContact O-N 2.67Å
356	V	88.3	Confident	87.6	Confident	26 Å²	26	47.8 Å²	47.8	16%	0.158	26%	0.26	C	S	.	.			trans	-64.9	126.2	174.9	175.3	0	0	0	0	109.6	K351 L352 N354 V358	K351-V356 WeakPolarHBondContact CA-O 3.46Å; L352-V356 HydrophobicContact CB-CB 4.45Å; L352-V356 HydrophobicContact CD1-CB 4.26Å; L352-V356 PolarHBondContact N-O 3.27Å; N354-V356 WeakPolarHBondContact OD1-CG2 3.05Å; N354-V356 PolarHBondContact OD1-N 3.28Å; V356-V358 HydrophobicContact CG1-CG1 4.44Å
357	P	93	Very high	85.6	Confident	50 Å²	50	53.7 Å²	53.7	33%	0.325	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	136.9	175.6	30.6	-34.2	0	0	0	110.3	F407	P357-F407 HydrophobicContact CB-CB 3.97Å; P357-F407 HydrophobicContact CB-CD1 4.45Å; P357-F407 HydrophobicContact CB-CG 4.47Å; P357-F407 HydrophobicContact CG-CB 4.45Å; P357-F407 WeakPolarHBondContact O-CB 3.06Å; P357-F407 PolarHBondContact O-N 2.84Å
358	V	96	Very high	83.9	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	154.1	-176.8	-66.1	0	0	0	0	112.2	I331 G350 L352 V356 V360 L392 I404 Y405	I331-V358 HydrophobicContact CG2-CG2 3.55Å; G350-V358 PolarHBondContact N-O 3.34Å; G350-V358 PolarHBondContact O-N 3.17Å; L352-V358 HydrophobicContact CD1-CG1 3.91Å; L352-V358 HydrophobicContact CD2-CG1 4.22Å; L352-V358 HydrophobicContact CD2-CG2 4.41Å; L352-V358 HydrophobicContact CG-CG1 3.65Å; L352-V358 HydrophobicContact CG-CG2 4.38Å; V356-V358 HydrophobicContact CG1-CG1 4.44Å; V358-V360 HydrophobicContact CG2-CG2 4.2Å; V358-L392 HydrophobicContact CG1-CD1 3.55Å; V358-I404 HydrophobicContact CB-CG2 3.82Å; V358-I404 HydrophobicContact CG1-CG2 4.01Å; V358-I404 HydrophobicContact CG2-CG2 4Å; V358-Y405 CarbonylContact C-O 3.58Å; V358-Y405 WeakPolarHBondContact CA-O 3.47Å; V358-Y405 WeakPolarHBondContact CB-O 3.3Å
359	A	96.7	Very high	82.3	Confident	15 Å²	15	57 Å²	57	12%	0.124	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.5	167.6	0	0	0	0	0	109.2	V347 Y348 I404 Y405 F407	V347-A359 HydrophobicContact CG1-CB 3.98Å; Y348-A359 CarbonylContact O-C 2.98Å; A359-I404 WeakPolarHBondContact O-CA 3.37Å; A359-Y405 PolarHBondContact N-O 2.95Å; A359-Y405 PolarHBondContact O-N 2.93Å; A359-F407 HydrophobicContact CB-CD2 4.25Å
360	V	96.5	Very high	81.1	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	103.4	-178.3	-178	0	0	0	0	109	V328 I331 T332 V347 Y348 V358 M362 A402 L403 I404	V328-V360 HydrophobicContact CG1-CG1 3.74Å; I331-V360 HydrophobicContact CG2-CG2 4.05Å; T332-V360 HydrophobicContact CG2-CB 3.67Å; T332-V360 HydrophobicContact CG2-CG1 3.87Å; T332-V360 HydrophobicContact CG2-CG2 3.58Å; V347-V360 CarbonylContact C-O 3.47Å; V347-V360 WeakPolarHBondContact CA-O 2.86Å; Y348-V360 PolarHBondContact N-O 3.31Å; Y348-V360 PolarHBondContact O-N 3.03Å; V358-V360 HydrophobicContact CG2-CG2 4.2Å; V360-M362 HydrophobicContact CG1-SD 4.06Å; V360-M362 PolarHBondContact O-N 3.19Å; V360-A402 HydrophobicContact CG1-CB 4.22Å; V360-L403 CarbonylContact C-O 3.53Å; V360-L403 WeakPolarHBondContact CA-O 3.44Å; V360-I404 HydrophobicContact CG2-CG1 4.3Å; V360-I404 HydrophobicContact CG2-CG2 4.42Å
361	K	93.9	Very high	80.2	Confident	20 Å²	20	58.3 Å²	58.3	9%	0.087	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	107.4	175.2	-175.7	-178.7	179.7	-171.3	0	108.8	F344 V347 L363 E376 A402 L403 D478	F344-K361 VanDerWaalsContact CB-CE 3.46Å; V347-K361 HydrophobicContact CG2-CB 4.1Å; V347-K361 HydrophobicContact CG2-CG 4.09Å; K361-L363 HydrophobicContact CD-CD2 4.17Å; K361-L363 HydrophobicContact CG-CD2 4.07Å; K361-E376 IonicContact NZ-OE1 3.73Å; K361-E376 IonicContact NZ-OE2 3.2Å; K361-A402 CarbonylContact O-C 3.46Å; K361-A402 VanDerWaalsContact O-CA 3.25Å; K361-A402 WeakPolarHBondContact O-CA 3.11Å; K361-L403 HydrophobicContact CB-CB 4.41Å; K361-L403 PolarHBondContact N-O 2.7Å; K361-L403 PolarHBondContact O-N 2.53Å; K361-D478 IonicContact NZ-OD1 3.47Å; K361-D478 PolarHBondContact NZ-OD1 2.81Å
362	M	92.4	Very high	79.4	Confident	23 Å²	23	56.4 Å²	56.4	11%	0.113	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	122.2	171.7	-64.8	-57.9	-54.4	0	0	108.8	F325 V328 F335 G345 T346 Y348 V360 E364 A402	F325-M362 HydrophobicContact CE2-CE 3.88Å; V328-M362 HydrophobicContact CG1-SD 4.15Å; F335-M362 HydrophobicContact CD1-CG 4.33Å; F335-M362 HydrophobicContact CE1-CE 4.39Å; F335-M362 HydrophobicContact CE1-CG 3.94Å; F335-M362 HydrophobicContact CE1-SD 3.61Å; F335-M362 HydrophobicContact CZ-CE 4.46Å; F335-M362 HydrophobicContact CZ-SD 4.19Å; G345-M362 CarbonylContact C-O 3.58Å; G345-M362 VanDerWaalsContact CA-O 3.3Å; G345-M362 WeakPolarHBondContact CA-O 3.35Å; T346-M362 PolarHBondContact N-O 3.26Å; T346-M362 WeakPolarHBondContact O-CB 3.46Å; T346-M362 PolarHBondContact O-N 3.47Å; Y348-M362 HydrophobicContact CD2-CB 4.49Å; Y348-M362 HydrophobicContact CD2-CG 3.69Å; Y348-M362 HydrophobicContact CE2-CB 4.14Å; Y348-M362 HydrophobicContact CE2-CG 3.61Å; V360-M362 HydrophobicContact CG1-SD 4.06Å; V360-M362 PolarHBondContact O-N 3.19Å; M362-E364 PolarHBondContact O-N 2.84Å; M362-A402 HydrophobicContact CE-CB 4.17Å; M362-A402 HydrophobicContact SD-CB 3.52Å; M362-A402 VanDerWaalsContact SD-CB 3.52Å
363	L	86	Confident	79	Confident	35 Å²	35	56.5 Å²	56.5	18%	0.183	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	111.4	178.4	-56.2	178.1	0	0	0	108.3	F344 K361 F373 R401 L403	F344-L363 WeakPolarHBondContact O-CD2 3.01Å; K361-L363 HydrophobicContact CD-CD2 4.17Å; K361-L363 HydrophobicContact CG-CD2 4.07Å; L363-F373 HydrophobicContact CD1-CB 3.63Å; L363-F373 HydrophobicContact CD1-CD2 3.62Å; L363-F373 HydrophobicContact CD1-CG 4.06Å; L363-R401 HydrophobicContact CB-CB 4.26Å; L363-R401 HydrophobicContact CD1-CB 4.09Å; L363-R401 PolarHBondContact N-O 2.72Å; L363-L403 HydrophobicContact CD1-CD1 4.43Å
364	E	70.6	Confident	79	Confident	95 Å²	95	52 Å²	52	44%	0.444	30%	0.299	S	S	.	.			trans	-93.1	6.3	-169.2	-69.9	-179.7	173.9	0	0	114	Q341 T346 M362 P366	Q341-E364 PolarHBondContact NE2-OE2 3.42Å; T346-E364 WeakPolarHBondContact CB-OE1 3.13Å; T346-E364 PolarHBondContact OG1-OE1 2.97Å; T346-E364 PolarHBondContact OG1-OE2 3.4Å; M362-E364 PolarHBondContact O-N 2.84Å; E364-P366 WeakPolarHBondContact O-CD 3.06Å
365	N	64.1	Low	79.2	Confident	104 Å²	104	51 Å²	51	56%	0.556	30%	0.295	S	S	*	.			trans	-97.6	96.5	-171.8	-132	-4.9	0	0	0	112	T367	N365-T367 PolarHBondContact O-N 3Å; N365-T367 PolarHBondContact OD1-OG1 2.95Å
366	P	50	Low	79.4	Confident	101 Å²	101	49.9 Å²	49.9	66%	0.656	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-19.5	178.4	29.3	-36.3	0	0	0	113.1	E364	E364-P366 WeakPolarHBondContact O-CD 3.06Å
367	T	50.4	Low	79.4	Confident	124 Å²	124	50 Å²	50	76%	0.761	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-14.8	-176.9	48.4	0	0	0	0	113.7	N365	N365-T367 PolarHBondContact O-N 3Å; N365-T367 PolarHBondContact OD1-OG1 2.95Å
368	G	57.6	Low	79	Confident	29 Å²	29	49.6 Å²	49.6	30%	0.299	28%	0.284	S	S	.	.	S	Bend	trans	-76.6	130.7	173.1	0	0	0	0	0	110.8	G370 R401	G368-G370 PolarHBondContact O-N 3.27Å; G368-R401 PolarHBondContact O-NH1 3.18Å
369	D	62.4	Low	78.5	Confident	119 Å²	119	49.8 Å²	49.8	64%	0.636	29%	0.285	S	S	*	.			trans	-43.4	-25.5	165.8	47.1	21.3	0	0	0	113.3	E371 R401	D369-E371 HydrophobicContact CB-CG 4.18Å; D369-E371 VanDerWaalsContact OD1-CB 3.31Å; D369-E371 WeakPolarHBondContact OD1-CB 3.43Å; D369-E371 WeakPolarHBondContact OD1-CG 3.32Å; D369-E371 PolarHBondContact OD1-N 2.9Å; D369-E371 VanDerWaalsContact OD2-CG 3.23Å; D369-E371 WeakPolarHBondContact OD2-CG 3.4Å; D369-R401 PolarHBondContact O-NH2 2.89Å; D369-R401 VanDerWaalsContact O-NH2 3.12Å
370	G	72.6	Confident	78.1	Confident	7 Å²	7	49.1 Å²	49.1	7%	0.072	28%	0.28	C	S	.	.	S	Bend	trans	96.6	13.6	-178.1	0	0	0	0	0	112.3	G368 D372 F373 I374	G368-G370 PolarHBondContact O-N 3.27Å; G370-D372 VanDerWaalsContact C-N 3.26Å; G370-D372 PolarHBondContact O-N 2.87Å; G370-F373 WeakPolarHBondContact O-CB 3.46Å; G370-F373 PolarHBondContact O-N 2.03Å; G370-F373 VanDerWaalsContact O-N 3.11Å; G370-I374 WeakPolarHBondContact O-CG1 3.36Å; G370-I374 PolarHBondContact O-N 3.12Å
371	E	77.9	Confident	77.6	Confident	97 Å²	97	49.4 Å²	49.4	45%	0.453	28%	0.283	S	S	.	.	H	α-helix	trans	-56.8	-40.7	178.5	-72.2	-66.7	138.8	0	0	111.2	D369 F373 I374 T375	D369-E371 HydrophobicContact CB-CG 4.18Å; D369-E371 VanDerWaalsContact OD1-CB 3.31Å; D369-E371 WeakPolarHBondContact OD1-CB 3.43Å; D369-E371 WeakPolarHBondContact OD1-CG 3.32Å; D369-E371 PolarHBondContact OD1-N 2.9Å; D369-E371 VanDerWaalsContact OD2-CG 3.23Å; D369-E371 WeakPolarHBondContact OD2-CG 3.4Å; E371-F373 PolarHBondContact O-N 3.06Å; E371-I374 PolarHBondContact O-N 3.31Å; E371-T375 WeakPolarHBondContact O-CB 3.45Å; E371-T375 PolarHBondContact O-N 3.5Å; E371-T375 PolarHBondContact O-OG1 3.18Å
372	D	77.7	Confident	77	Confident	69 Å²	69	57.5 Å²	57.5	37%	0.369	31%	0.312	S	S	.	.	H	α-helix	trans	-61.6	-43.2	177	-63.3	-3.1	0	0	0	111.5	G370 T375 E376	G370-D372 VanDerWaalsContact C-N 3.26Å; G370-D372 PolarHBondContact O-N 2.87Å; D372-T375 PolarHBondContact O-N 3.37Å; D372-E376 WeakPolarHBondContact O-CB 3.26Å; D372-E376 PolarHBondContact O-N 3.39Å
373	F	84.8	Confident	76.8	Confident	16 Å²	16	56.6 Å²	56.6	7%	0.07	31%	0.308	C	S	.	.	H	α-helix	trans	-63.8	-47	176.5	172.9	-101.1	0	0	0	111.6	L363 G370 E371 T375 E376 V377 F394 R401 L403	L363-F373 HydrophobicContact CD1-CB 3.63Å; L363-F373 HydrophobicContact CD1-CD2 3.62Å; L363-F373 HydrophobicContact CD1-CG 4.06Å; G370-F373 WeakPolarHBondContact O-CB 3.46Å; G370-F373 PolarHBondContact O-N 2.03Å; G370-F373 VanDerWaalsContact O-N 3.11Å; E371-F373 PolarHBondContact O-N 3.06Å; F373-T375 VanDerWaalsContact C-N 3.34Å; F373-E376 PolarHBondContact O-N 2.94Å; F373-V377 HydrophobicContact CD2-CG2 4.17Å; F373-V377 HydrophobicContact CE1-CG2 4.22Å; F373-V377 HydrophobicContact CE2-CG2 3.77Å; F373-V377 HydrophobicContact CZ-CG2 3.8Å; F373-V377 WeakPolarHBondContact O-CB 3.3Å; F373-V377 WeakPolarHBondContact O-CG2 3.36Å; F373-V377 PolarHBondContact O-N 2.96Å; F373-F394 HydrophobicContact CE2-CB 4.17Å; F373-F394 HydrophobicContact CZ-CB 4.21Å; F373-F394 AromaticContact CZ-CD2 3.88Å; F373-F394 HydrophobicContact CZ-CD2 3.88Å; F373-F394 HydrophobicContact CZ-CG 4.36Å; F373-R401 HydrophobicContact CD1-CG 4.43Å; F373-R401 HydrophobicContact CD2-CB 4Å; F373-R401 HydrophobicContact CD2-CG 4.48Å; F373-R401 HydrophobicContact CE2-CB 4.25Å; F373-R401 HydrophobicContact CG-CB 4.28Å; F373-R401 HydrophobicContact CG-CG 4.33Å; F373-L403 HydrophobicContact CD2-CD2 3.94Å; F373-L403 HydrophobicContact CD2-CG 4.24Å; F373-L403 HydrophobicContact CE2-CD2 3.76Å; F373-L403 HydrophobicContact CE2-CG 4.33Å
374	I	85.2	Confident	76.9	Confident	90 Å²	90	58.8 Å²	58.8	46%	0.462	32%	0.317	S	S	.	.	H	α-helix	trans	-63.1	-45.5	179.7	-66.9	167.8	0	0	0	109.7	G370 E371 V377 A378	G370-I374 WeakPolarHBondContact O-CG1 3.36Å; G370-I374 PolarHBondContact O-N 3.12Å; E371-I374 PolarHBondContact O-N 3.31Å; I374-V377 PolarHBondContact O-N 3Å; I374-A378 WeakPolarHBondContact O-CB 3.48Å; I374-A378 PolarHBondContact O-N 3.28Å
375	T	83.3	Confident	78	Confident	26 Å²	26	56.8 Å²	56.8	16%	0.16	31%	0.308	C	S	.	.	H	α-helix	trans	-58.1	-50.7	177.9	-65.3	0	0	0	0	110.5	E371 D372 F373 A378 T379 A482	E371-T375 WeakPolarHBondContact O-CB 3.45Å; E371-T375 PolarHBondContact O-N 3.5Å; E371-T375 PolarHBondContact O-OG1 3.18Å; D372-T375 PolarHBondContact O-N 3.37Å; F373-T375 VanDerWaalsContact C-N 3.34Å; T375-A378 PolarHBondContact O-N 2.84Å; T375-T379 HydrophobicContact CG2-CG2 4.38Å; T375-T379 VanDerWaalsContact O-CB 3.29Å; T375-T379 WeakPolarHBondContact O-CB 3.43Å; T375-T379 VanDerWaalsContact O-CG2 3.26Å; T375-T379 WeakPolarHBondContact O-CG2 3.46Å; T375-T379 PolarHBondContact O-N 3.48Å; T375-T379 PolarHBondContact O-OG1 2.93Å; T375-A482 HydrophobicContact CG2-CB 4.39Å; T375-A482 WeakPolarHBondContact CG2-O 3.19Å
376	E	87.4	Confident	79.4	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.009	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-51.3	-178.9	-165.5	158	-172.7	0	0	110	K361 D372 F373 A378 T379 I380 L403 Y405 F479	K361-E376 IonicContact NZ-OE1 3.73Å; K361-E376 IonicContact NZ-OE2 3.2Å; D372-E376 WeakPolarHBondContact O-CB 3.26Å; D372-E376 PolarHBondContact O-N 3.39Å; F373-E376 PolarHBondContact O-N 2.94Å; E376-A378 VanDerWaalsContact C-N 3.35Å; E376-A378 PolarHBondContact O-N 3.44Å; E376-T379 PolarHBondContact O-N 3.14Å; E376-T379 PolarHBondContact O-OG1 3.42Å; E376-I380 HydrophobicContact CG-CG2 4.15Å; E376-I380 VanDerWaalsContact O-CG2 3.3Å; E376-I380 WeakPolarHBondContact O-CG2 3.3Å; E376-I380 PolarHBondContact O-N 3.31Å; E376-L403 HydrophobicContact CB-CD1 4.18Å; E376-L403 HydrophobicContact CG-CD1 3.71Å; E376-L403 WeakPolarHBondContact OE2-CD1 3.12Å; E376-Y405 VanDerWaalsContact CG-OH 3.26Å; E376-Y405 WeakPolarHBondContact CG-OH 3.37Å; E376-Y405 PolarHBondContact OE1-OH 2.82Å; E376-F479 HydrophobicContact CG-CB 4.11Å
377	V	88.5	Confident	81.6	Confident	29 Å²	29	51.5 Å²	51.5	18%	0.176	28%	0.284	C	S	.	.	H	α-helix	trans	-61.3	-39.6	177.7	176.4	0	0	0	0	112.7	F373 I374 G381 L391 F394 L403	F373-V377 HydrophobicContact CD2-CG2 4.17Å; F373-V377 HydrophobicContact CE1-CG2 4.22Å; F373-V377 HydrophobicContact CE2-CG2 3.77Å; F373-V377 HydrophobicContact CZ-CG2 3.8Å; F373-V377 WeakPolarHBondContact O-CB 3.3Å; F373-V377 WeakPolarHBondContact O-CG2 3.36Å; F373-V377 PolarHBondContact O-N 2.96Å; I374-V377 PolarHBondContact O-N 3Å; V377-G381 WeakPolarHBondContact O-CA 3.29Å; V377-G381 PolarHBondContact O-N 3.04Å; V377-L391 HydrophobicContact CG2-CD2 4.5Å; V377-F394 HydrophobicContact CG1-CD1 4.17Å; V377-F394 HydrophobicContact CG1-CE1 4.25Å; V377-F394 HydrophobicContact CG2-CB 4.18Å; V377-F394 HydrophobicContact CG2-CG 4.26Å; V377-L403 HydrophobicContact CG2-CD2 3.58Å
378	A	85.4	Confident	83.8	Confident	40 Å²	40	45.7 Å²	45.7	33%	0.331	25%	0.249	S	C	.	.	H	α-helix	trans	-73.5	-30.6	-178.7	0	0	0	0	0	113.3	I374 T375 E376	I374-A378 WeakPolarHBondContact O-CB 3.48Å; I374-A378 PolarHBondContact O-N 3.28Å; T375-A378 PolarHBondContact O-N 2.84Å; E376-A378 VanDerWaalsContact C-N 3.35Å; E376-A378 PolarHBondContact O-N 3.44Å
379	T	86.1	Confident	85.6	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-85.9	-74.8	177.9	53.7	0	0	0	0	110.7	T375 E376 G381 R382 I383 A482 L484	T375-T379 HydrophobicContact CG2-CG2 4.38Å; T375-T379 VanDerWaalsContact O-CB 3.29Å; T375-T379 WeakPolarHBondContact O-CB 3.43Å; T375-T379 VanDerWaalsContact O-CG2 3.26Å; T375-T379 WeakPolarHBondContact O-CG2 3.46Å; T375-T379 PolarHBondContact O-N 3.48Å; T375-T379 PolarHBondContact O-OG1 2.93Å; E376-T379 PolarHBondContact O-N 3.14Å; E376-T379 PolarHBondContact O-OG1 3.42Å; T379-G381 VanDerWaalsContact C-N 3.26Å; T379-G381 PolarHBondContact O-N 3.34Å; T379-R382 PolarHBondContact O-N 2.83Å; T379-I383 WeakPolarHBondContact O-CG1 3.21Å; T379-A482 HydrophobicContact CG2-CB 4.16Å; T379-L484 HydrophobicContact CG2-CD1 4.06Å; T379-L484 HydrophobicContact CG2-CD2 4.05Å; T379-L484 HydrophobicContact CG2-CG 3.7Å
380	I	88	Confident	87	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-69	-24.9	-169.8	-153.7	179.6	0	0	0	112.6	E376 R382 I383 I388 I389 L391 Y405 F479	E376-I380 HydrophobicContact CG-CG2 4.15Å; E376-I380 VanDerWaalsContact O-CG2 3.3Å; E376-I380 WeakPolarHBondContact O-CG2 3.3Å; E376-I380 PolarHBondContact O-N 3.31Å; I380-R382 PolarHBondContact O-N 3.16Å; I380-I383 HydrophobicContact CG1-CB 4.46Å; I380-I383 HydrophobicContact CG1-CD1 4.4Å; I380-I383 PolarHBondContact O-N 3.32Å; I380-I388 HydrophobicContact CD1-CG2 4.28Å; I380-I388 HydrophobicContact CG1-CG2 4.39Å; I380-I389 HydrophobicContact CD1-CG2 3.4Å; I380-I389 VanDerWaalsContact CD1-CG2 3.4Å; I380-I389 WeakPolarHBondContact CD1-O 3.21Å; I380-L391 HydrophobicContact CG2-CB 3.74Å; I380-L391 HydrophobicContact CG2-CD2 3.78Å; I380-L391 HydrophobicContact CG2-CG 4.28Å; I380-Y405 HydrophobicContact CD1-CE1 4.06Å; I380-Y405 HydrophobicContact CG2-CE1 4.32Å; I380-F479 HydrophobicContact CB-CB 4.31Å; I380-F479 HydrophobicContact CB-CD1 4.49Å; I380-F479 HydrophobicContact CB-CD2 4.18Å; I380-F479 HydrophobicContact CB-CG 4.08Å; I380-F479 HydrophobicContact CD1-CD2 3.35Å; I380-F479 HydrophobicContact CD1-CE2 3.44Å; I380-F479 VanDerWaalsContact CD1-CE2 3.44Å; I380-F479 HydrophobicContact CD1-CG 4.13Å; I380-F479 HydrophobicContact CD1-CZ 4.29Å; I380-F479 HydrophobicContact CG1-CD2 3.95Å; I380-F479 HydrophobicContact CG1-CE2 3.99Å; I380-F479 HydrophobicContact CG1-CG 4.3Å; I380-F479 HydrophobicContact CG1-CZ 4.4Å
381	G	86.2	Confident	88	Confident	6 Å²	6	39.5 Å²	39.5	6%	0.062	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-62.5	-5.4	177.4	0	0	0	0	0	115.1	P320 V377 T379	P320-G381 WeakPolarHBondContact CD-O 3.01Å; V377-G381 WeakPolarHBondContact O-CA 3.29Å; V377-G381 PolarHBondContact O-N 3.04Å; T379-G381 VanDerWaalsContact C-N 3.26Å; T379-G381 PolarHBondContact O-N 3.34Å
382	R	81.5	Confident	88.7	Confident	189 Å²	189	35.3 Å²	35.3	71%	0.713	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-118.2	0.5	176.2	-59.7	179.3	-179.4	178.3	1	113.2	T379 I380	T379-R382 PolarHBondContact O-N 2.83Å; I380-R382 PolarHBondContact O-N 3.16Å
383	I	87.3	Confident	89.5	Confident	4 Å²	4	32 Å²	32	2%	0.021	17%	0.169	C	C	.	.			trans	-99.8	129	-171.5	-59.4	176.1	0	0	0	109.3	T379 I380 I388 Y447 L448 I456 F479	T379-I383 WeakPolarHBondContact O-CG1 3.21Å; I380-I383 HydrophobicContact CG1-CB 4.46Å; I380-I383 HydrophobicContact CG1-CD1 4.4Å; I380-I383 PolarHBondContact O-N 3.32Å; I383-I388 HydrophobicContact CG2-CB 4.19Å; I383-I388 HydrophobicContact CG2-CD1 3.56Å; I383-I388 HydrophobicContact CG2-CG1 4.48Å; I383-I388 HydrophobicContact CG2-CG2 3.92Å; I383-Y447 HydrophobicContact CG2-CD1 4.31Å; I383-Y447 HydrophobicContact CG2-CE1 3.96Å; I383-L448 HydrophobicContact CD1-CD2 3.69Å; I383-I456 HydrophobicContact CD1-CD1 3.38Å; I383-I456 HydrophobicContact CG1-CD1 3.98Å; I383-F479 HydrophobicContact CD1-CE1 4.06Å
384	H	88.4	Confident	90	Very high	81 Å²	81	33 Å²	33	38%	0.375	17%	0.174	S	C	.	.			trans	-132.7	107.4	172.5	-59.7	80.9	0	0	0	107.7	H390	H384-H390 AromaticContact CD2-CE1 3.32Å; H384-H390 PolarHBondContact CD2-CE1 3.01Å; H384-H390 AromaticContact CD2-ND1 3.6Å; H384-H390 AromaticContact NE2-CE1 3.16Å; H384-H390 PolarHBondContact NE2-CE1 3.31Å; H384-H390 AromaticContact NE2-ND1 3.84Å
385	H	93.2	Very high	90.4	Very high	54 Å²	54	28.7 Å²	28.7	25%	0.25	15%	0.152	C	C	.	.			trans	-152	144.2	179.9	-172.2	-95.5	0	0	0	109.7	N387 I388 Y447	H385-N387 PolarHBondContact ND1-N 2.96Å; H385-N387 VanDerWaalsContact ND1-N 3.11Å; H385-N387 PolarHBondContact O-N 2.87Å; H385-I388 HydrophobicContact CB-CB 4.15Å; H385-I388 HydrophobicContact CB-CD1 3.77Å; H385-I388 HydrophobicContact CB-CG1 3.96Å; H385-I388 PolarHBondContact O-N 3.26Å; H385-I388 VanDerWaalsContact O-N 3.14Å; H385-I388 VanDerWaalsContact O-O 3.09Å; H385-Y447 HydrophobicContact CB-CD1 3.86Å; H385-Y447 HydrophobicContact CB-CE1 4.17Å; H385-Y447 HydrophobicContact CB-CG 4.32Å; H385-Y447 AromaticContact CD2-CD2 3.9Å; H385-Y447 AromaticContact CD2-CG 3.61Å
386	A	92.9	Very high	90.7	Very high	74 Å²	74	29.1 Å²	29.1	61%	0.612	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-36.1	-176.5	0	0	0	0	0	112.6	K475	A386-K475 WeakPolarHBondContact O-CG 3.26Å; A386-K475 PolarHBondContact O-NZ 2.81Å
387	N	97.6	Very high	90.8	Very high	19 Å²	19	32.8 Å²	32.8	10%	0.102	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	20.8	-178.9	-55.3	111.4	0	0	0	115.2	H385 G440 P474 K475 I476	H385-N387 PolarHBondContact ND1-N 2.96Å; H385-N387 VanDerWaalsContact ND1-N 3.11Å; H385-N387 PolarHBondContact O-N 2.87Å; N387-G440 WeakPolarHBondContact CB-O 3.1Å; N387-G440 WeakPolarHBondContact ND2-CA 3.46Å; N387-G440 PolarHBondContact OD1-O 3.34Å; N387-P474 VanDerWaalsContact CA-O 3.22Å; N387-P474 WeakPolarHBondContact CA-O 3.26Å; N387-P474 WeakPolarHBondContact CB-O 3.48Å; N387-P474 PolarHBondContact ND2-O 2.9Å; N387-K475 WeakPolarHBondContact O-CA 3.1Å; N387-I476 PolarHBondContact O-N 2.97Å
388	I	96.4	Very high	90.5	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.015	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-129.4	139.1	174.1	-56.8	172.7	0	0	0	108.1	I380 I383 H385 Y447 L448 F479	I380-I388 HydrophobicContact CD1-CG2 4.28Å; I380-I388 HydrophobicContact CG1-CG2 4.39Å; I383-I388 HydrophobicContact CG2-CB 4.19Å; I383-I388 HydrophobicContact CG2-CD1 3.56Å; I383-I388 HydrophobicContact CG2-CG1 4.48Å; I383-I388 HydrophobicContact CG2-CG2 3.92Å; H385-I388 HydrophobicContact CB-CB 4.15Å; H385-I388 HydrophobicContact CB-CD1 3.77Å; H385-I388 HydrophobicContact CB-CG1 3.96Å; H385-I388 PolarHBondContact O-N 3.26Å; H385-I388 VanDerWaalsContact O-N 3.14Å; H385-I388 VanDerWaalsContact O-O 3.09Å; I388-Y447 HydrophobicContact CD1-CD1 3.88Å; I388-L448 HydrophobicContact CD1-CD1 4.45Å; I388-L448 HydrophobicContact CD1-CD2 3.65Å; I388-L448 HydrophobicContact CD1-CG 3.81Å; I388-F479 HydrophobicContact CG2-CE2 3.78Å; I388-F479 HydrophobicContact CG2-CZ 3.59Å
389	I	94.9	Very high	90.3	Very high	2 Å²	2	38 Å²	38	1%	0.01	21%	0.214	C	C	.	.			trans	-63.8	136.7	178.6	-163.4	71.3	0	0	0	110.1	I380 Y405 E406 M408 L467 K475 I476	I380-I389 HydrophobicContact CD1-CG2 3.4Å; I380-I389 VanDerWaalsContact CD1-CG2 3.4Å; I380-I389 WeakPolarHBondContact CD1-O 3.21Å; I389-Y405 HydrophobicContact CG1-CD1 3.91Å; I389-Y405 HydrophobicContact CG1-CG 4.3Å; I389-Y405 HydrophobicContact CG2-CD1 3.97Å; I389-Y405 HydrophobicContact CG2-CE1 4.01Å; I389-E406 HydrophobicContact CD1-CG 3.6Å; I389-E406 HydrophobicContact CG1-CG 4.15Å; I389-M408 HydrophobicContact CD1-CE 3.7Å; I389-M408 HydrophobicContact CD1-CG 3.47Å; I389-M408 VanDerWaalsContact CD1-CG 3.47Å; I389-M408 HydrophobicContact CD1-SD 3.98Å; I389-L467 HydrophobicContact CD1-CD1 4.15Å; I389-K475 HydrophobicContact CB-CB 4.49Å; I389-K475 HydrophobicContact CD1-CB 4.44Å; I389-K475 HydrophobicContact CD1-CD 4.3Å; I389-I476 WeakPolarHBondContact CB-O 3.48Å; I389-I476 WeakPolarHBondContact CG2-O 3.21Å; I389-I476 PolarHBondContact N-O 3.3Å
390	H	92.5	Very high	90.4	Very high	20 Å²	20	44 Å²	44	9%	0.093	24%	0.236	C	C	.	.			trans	-92.3	124.1	-179.6	-173.2	55.1	0	0	0	112.1	Y315 H384 L392 E406	Y315-H390 AromaticContact CD1-CD2 3.63Å; Y315-H390 AromaticContact CD1-NE2 3.97Å; Y315-H390 AromaticContact CE1-CD2 3.46Å; Y315-H390 VanDerWaalsContact CE1-CD2 3.46Å; Y315-H390 WeakPolarHBondContact CE1-CD2 3.3Å; H384-H390 AromaticContact CD2-CE1 3.32Å; H384-H390 PolarHBondContact CD2-CE1 3.01Å; H384-H390 AromaticContact CD2-ND1 3.6Å; H384-H390 AromaticContact NE2-CE1 3.16Å; H384-H390 PolarHBondContact NE2-CE1 3.31Å; H384-H390 AromaticContact NE2-ND1 3.84Å; H390-L392 VanDerWaalsContact CD2-CD2 3.43Å; H390-L392 WeakPolarHBondContact CD2-CD2 3.21Å; H390-L392 PolarHBondContact O-N 2.92Å; H390-E406 HydrophobicContact CB-CG 4.13Å; H390-E406 WeakPolarHBondContact CB-OE1 3.45Å; H390-E406 PolarHBondContact N-OE1 2.95Å; H390-E406 PolarHBondContact O-N 3.44Å
391	L	93.6	Very high	90.5	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	108.6	172.1	-178.6	70.1	0	0	0	109.9	P320 V377 I380 G393 L403 Y405	P320-L391 HydrophobicContact CB-CD2 4.15Å; P320-L391 HydrophobicContact CB-CG 4.1Å; P320-L391 HydrophobicContact CG-CD2 4.16Å; V377-L391 HydrophobicContact CG2-CD2 4.5Å; I380-L391 HydrophobicContact CG2-CB 3.74Å; I380-L391 HydrophobicContact CG2-CD2 3.78Å; I380-L391 HydrophobicContact CG2-CG 4.28Å; L391-G393 VanDerWaalsContact CD1-O 3.31Å; L391-G393 WeakPolarHBondContact CD1-O 3.26Å; L391-L403 HydrophobicContact CD1-CB 3.99Å; L391-L403 HydrophobicContact CD1-CD2 3.99Å; L391-L403 HydrophobicContact CD2-CD2 4.37Å; L391-Y405 HydrophobicContact CB-CD1 4.21Å; L391-Y405 HydrophobicContact CB-CE1 3.79Å; L391-Y405 HydrophobicContact CD1-CD1 4.03Å; L391-Y405 HydrophobicContact CD1-CE1 3.55Å; L391-Y405 HydrophobicContact CD1-CE2 4.3Å; L391-Y405 HydrophobicContact CG-CE1 4.27Å
392	L	92.7	Very high	90.9	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.047	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-30.5	-179.1	-65.8	169.5	0	0	0	112.4	T314 Y315 T321 L352 V358 H390 I404 E406	T314-L392 HydrophobicContact CG2-CD2 3.61Å; Y315-L392 HydrophobicContact CE1-CD2 4.14Å; T321-L392 PolarHBondContact N-O 2.72Å; L352-L392 HydrophobicContact CD1-CD1 4.33Å; V358-L392 HydrophobicContact CG1-CD1 3.55Å; H390-L392 VanDerWaalsContact CD2-CD2 3.43Å; H390-L392 WeakPolarHBondContact CD2-CD2 3.21Å; H390-L392 PolarHBondContact O-N 2.92Å; L392-I404 HydrophobicContact CB-CG2 4.49Å; L392-I404 WeakPolarHBondContact CB-O 3.46Å; L392-I404 PolarHBondContact N-O 3.5Å; L392-E406 HydrophobicContact CD1-CB 4.28Å
393	G	94.1	Very high	91.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	174.6	-176.8	0	0	0	0	0	114.5	T321 L391 I404	T321-G393 CarbonylContact O-C 3.55Å; T321-G393 WeakPolarHBondContact O-CA 3.45Å; L391-G393 VanDerWaalsContact CD1-O 3.31Å; L391-G393 WeakPolarHBondContact CD1-O 3.26Å; G393-I404 PolarHBondContact N-O 3.19Å; G393-I404 WeakPolarHBondContact O-CB 3.28Å; G393-I404 PolarHBondContact O-N 3.04Å
394	F	94.5	Very high	91.9	Very high	37 Å²	37	37 Å²	37	16%	0.162	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	159.5	178.7	64.1	-88.2	0	0	0	111.1	P320 T321 R322 Y323 F373 V377 A402 L403	P320-F394 HydrophobicContact CB-CD1 4.07Å; P320-F394 HydrophobicContact CB-CE1 4.42Å; P320-F394 HydrophobicContact CG-CD1 4.1Å; P320-F394 HydrophobicContact CG-CE1 4.15Å; T321-F394 PolarHBondContact O-N 3.08Å; R322-F394 WeakPolarHBondContact CA-O 2.89Å; R322-F394 HydrophobicContact CB-CE1 4.35Å; R322-F394 HydrophobicContact CB-CE2 4.03Å; R322-F394 HydrophobicContact CB-CZ 3.83Å; R322-F394 HydrophobicContact CG-CD2 4.32Å; R322-F394 HydrophobicContact CG-CE2 3.71Å; R322-F394 HydrophobicContact CG-CZ 4.03Å; Y323-F394 PolarHBondContact N-O 3.45Å; F373-F394 HydrophobicContact CE2-CB 4.17Å; F373-F394 HydrophobicContact CZ-CB 4.21Å; F373-F394 AromaticContact CZ-CD2 3.88Å; F373-F394 HydrophobicContact CZ-CD2 3.88Å; F373-F394 HydrophobicContact CZ-CG 4.36Å; V377-F394 HydrophobicContact CG1-CD1 4.17Å; V377-F394 HydrophobicContact CG1-CE1 4.25Å; V377-F394 HydrophobicContact CG2-CB 4.18Å; V377-F394 HydrophobicContact CG2-CG 4.26Å; F394-A402 CarbonylContact C-O 3.47Å; F394-A402 WeakPolarHBondContact CA-O 3.11Å; F394-L403 HydrophobicContact CB-CD2 4.12Å
395	C	93.8	Very high	92.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137.1	169.7	172.5	0	0	0	0	108.9	Y323 V328 R401 A402	Y323-C395 WeakPolarHBondContact O-CA 3.4Å; V328-C395 HydrophobicContact CG2-CB 3.57Å; C395-R401 VanDerWaalsContact O-CA 3.29Å; C395-R401 WeakPolarHBondContact O-CA 3.44Å; C395-A402 HydrophobicContact CB-CB 4.05Å; C395-A402 PolarHBondContact N-O 3.18Å; C395-A402 PolarHBondContact O-N 2.82Å
396	S	90.6	Very high	92.3	Very high	34 Å²	34	32.5 Å²	32.5	24%	0.238	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	95.4	174.2	-177.4	0	0	0	0	109	R322	R322-S396 PolarHBondContact NH2-O 3.46Å; R322-S396 VanDerWaalsContact NH2-O 3.14Å
397	E	88.3	Confident	92.3	Very high	79 Å²	79	30.5 Å²	30.5	37%	0.369	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	101.2	177.5	-74.2	-177.2	-178	0	0	109.8	T324 F325 T399 R400	T324-E397 WeakPolarHBondContact CA-OE1 3.43Å; T324-E397 WeakPolarHBondContact CB-OE1 3.44Å; T324-E397 WeakPolarHBondContact CG2-OE1 3.34Å; F325-E397 WeakPolarHBondContact CB-OE2 3.39Å; F325-E397 VanDerWaalsContact N-CD 3.3Å; F325-E397 PolarHBondContact N-OE1 2.92Å; F325-E397 PolarHBondContact N-OE2 3.21Å; F325-E397 VanDerWaalsContact N-OE2 3.12Å; E397-T399 PolarHBondContact O-N 2.82Å; E397-R400 PolarHBondContact N-O 3.14Å; E397-R400 WeakPolarHBondContact O-CB 3.24Å; E397-R400 PolarHBondContact O-N 3.25Å
398	G	82.6	Confident	92.2	Very high	70 Å²	70	30.2 Å²	30.2	72%	0.722	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	-125.5	-173.5	0	0	0	0	0	111.4	R400	G398-R400 VanDerWaalsContact C-N 3.29Å
399	T	81.7	Confident	91.9	Very high	108 Å²	108	31.7 Å²	31.7	66%	0.663	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-7.2	175.8	56.8	0	0	0	0	113.5	E397 R401	E397-T399 PolarHBondContact O-N 2.82Å; T399-R401 PolarHBondContact O-N 2.65Å
400	R	87.6	Confident	91.7	Very high	131 Å²	131	33.2 Å²	33.2	49%	0.494	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	97.9	-177.5	-59	177.6	-179.6	171.7	2.5	109.9	F325 E397 G398	F325-R400 HydrophobicContact CD2-CB 3.91Å; F325-R400 HydrophobicContact CD2-CG 4.31Å; F325-R400 HydrophobicContact CE2-CB 4.27Å; F325-R400 HydrophobicContact CE2-CG 4.35Å; F325-R400 HydrophobicContact CG-CB 4.49Å; E397-R400 PolarHBondContact N-O 3.14Å; E397-R400 WeakPolarHBondContact O-CB 3.24Å; E397-R400 PolarHBondContact O-N 3.25Å; G398-R400 VanDerWaalsContact C-N 3.29Å
401	R	91.2	Very high	91.7	Very high	54 Å²	54	36.5 Å²	36.5	20%	0.204	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.4	177.5	-63	171.4	-177.3	151	-12.7	110.2	L363 G368 D369 F373 C395 T399	L363-R401 HydrophobicContact CB-CB 4.26Å; L363-R401 HydrophobicContact CD1-CB 4.09Å; L363-R401 PolarHBondContact N-O 2.72Å; G368-R401 PolarHBondContact O-NH1 3.18Å; D369-R401 PolarHBondContact O-NH2 2.89Å; D369-R401 VanDerWaalsContact O-NH2 3.12Å; F373-R401 HydrophobicContact CD1-CG 4.43Å; F373-R401 HydrophobicContact CD2-CB 4Å; F373-R401 HydrophobicContact CD2-CG 4.48Å; F373-R401 HydrophobicContact CE2-CB 4.25Å; F373-R401 HydrophobicContact CG-CB 4.28Å; F373-R401 HydrophobicContact CG-CG 4.33Å; C395-R401 VanDerWaalsContact O-CA 3.29Å; C395-R401 WeakPolarHBondContact O-CA 3.44Å; T399-R401 PolarHBondContact O-N 2.65Å
402	A	94.1	Very high	91.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	148.5	176.7	0	0	0	0	0	111.5	V328 V360 K361 M362 F394 C395	V328-A402 HydrophobicContact CG1-CB 4.4Å; V360-A402 HydrophobicContact CG1-CB 4.22Å; K361-A402 CarbonylContact O-C 3.46Å; K361-A402 VanDerWaalsContact O-CA 3.25Å; K361-A402 WeakPolarHBondContact O-CA 3.11Å; M362-A402 HydrophobicContact CE-CB 4.17Å; M362-A402 HydrophobicContact SD-CB 3.52Å; M362-A402 VanDerWaalsContact SD-CB 3.52Å; F394-A402 CarbonylContact C-O 3.47Å; F394-A402 WeakPolarHBondContact CA-O 3.11Å; C395-A402 HydrophobicContact CB-CB 4.05Å; C395-A402 PolarHBondContact N-O 3.18Å; C395-A402 PolarHBondContact O-N 2.82Å
403	L	94.5	Very high	91.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.5	174.2	-62	166.8	0	0	0	108.9	V360 K361 L363 F373 E376 V377 L391 F394 Y405	V360-L403 CarbonylContact C-O 3.53Å; V360-L403 WeakPolarHBondContact CA-O 3.44Å; K361-L403 HydrophobicContact CB-CB 4.41Å; K361-L403 PolarHBondContact N-O 2.7Å; K361-L403 PolarHBondContact O-N 2.53Å; L363-L403 HydrophobicContact CD1-CD1 4.43Å; F373-L403 HydrophobicContact CD2-CD2 3.94Å; F373-L403 HydrophobicContact CD2-CG 4.24Å; F373-L403 HydrophobicContact CE2-CD2 3.76Å; F373-L403 HydrophobicContact CE2-CG 4.33Å; E376-L403 HydrophobicContact CB-CD1 4.18Å; E376-L403 HydrophobicContact CG-CD1 3.71Å; E376-L403 WeakPolarHBondContact OE2-CD1 3.12Å; V377-L403 HydrophobicContact CG2-CD2 3.58Å; L391-L403 HydrophobicContact CD1-CB 3.99Å; L391-L403 HydrophobicContact CD1-CD2 3.99Å; L391-L403 HydrophobicContact CD2-CD2 4.37Å; F394-L403 HydrophobicContact CB-CD2 4.12Å; L403-Y405 HydrophobicContact CB-CD2 4.31Å; L403-Y405 HydrophobicContact CB-CE2 3.6Å; L403-Y405 HydrophobicContact CD1-CE2 4.28Å
404	I	95.6	Very high	91.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	108.7	-174.9	-54.3	165.9	0	0	0	107.6	Y323 V328 I331 L352 V358 A359 V360 L392 G393	Y323-I404 HydrophobicContact CD2-CD1 3.3Å; Y323-I404 HydrophobicContact CE2-CD1 3.7Å; Y323-I404 HydrophobicContact CG-CD1 3.94Å; V328-I404 HydrophobicContact CG2-CD1 4.33Å; I331-I404 HydrophobicContact CD1-CD1 4.27Å; L352-I404 HydrophobicContact CD2-CG2 4.48Å; V358-I404 HydrophobicContact CB-CG2 3.82Å; V358-I404 HydrophobicContact CG1-CG2 4.01Å; V358-I404 HydrophobicContact CG2-CG2 4Å; A359-I404 WeakPolarHBondContact O-CA 3.37Å; V360-I404 HydrophobicContact CG2-CG1 4.3Å; V360-I404 HydrophobicContact CG2-CG2 4.42Å; L392-I404 HydrophobicContact CB-CG2 4.49Å; L392-I404 WeakPolarHBondContact CB-O 3.46Å; L392-I404 PolarHBondContact N-O 3.5Å; G393-I404 PolarHBondContact N-O 3.19Å; G393-I404 WeakPolarHBondContact O-CB 3.28Å; G393-I404 PolarHBondContact O-N 3.04Å
405	Y	95.3	Very high	91.2	Very high	19 Å²	19	40.9 Å²	40.9	8%	0.075	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	157.9	179.8	-67.9	-72.2	0	0	0	111.2	V358 A359 E376 I380 I389 L391 L403	V358-Y405 CarbonylContact C-O 3.58Å; V358-Y405 WeakPolarHBondContact CA-O 3.47Å; V358-Y405 WeakPolarHBondContact CB-O 3.3Å; A359-Y405 PolarHBondContact N-O 2.95Å; A359-Y405 PolarHBondContact O-N 2.93Å; E376-Y405 VanDerWaalsContact CG-OH 3.26Å; E376-Y405 WeakPolarHBondContact CG-OH 3.37Å; E376-Y405 PolarHBondContact OE1-OH 2.82Å; I380-Y405 HydrophobicContact CD1-CE1 4.06Å; I380-Y405 HydrophobicContact CG2-CE1 4.32Å; I389-Y405 HydrophobicContact CG1-CD1 3.91Å; I389-Y405 HydrophobicContact CG1-CG 4.3Å; I389-Y405 HydrophobicContact CG2-CD1 3.97Å; I389-Y405 HydrophobicContact CG2-CE1 4.01Å; L391-Y405 HydrophobicContact CB-CD1 4.21Å; L391-Y405 HydrophobicContact CB-CE1 3.79Å; L391-Y405 HydrophobicContact CD1-CD1 4.03Å; L391-Y405 HydrophobicContact CD1-CE1 3.55Å; L391-Y405 HydrophobicContact CD1-CE2 4.3Å; L391-Y405 HydrophobicContact CG-CE1 4.27Å; L403-Y405 HydrophobicContact CB-CD2 4.31Å; L403-Y405 HydrophobicContact CB-CE2 3.6Å; L403-Y405 HydrophobicContact CD1-CE2 4.28Å
406	E	93	Very high	90.9	Very high	22 Å²	22	42.4 Å²	42.4	10%	0.103	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	139.6	159	52.7	171.3	155.9	0	0	110.3	I389 H390 L392 M408 K475	I389-E406 HydrophobicContact CD1-CG 3.6Å; I389-E406 HydrophobicContact CG1-CG 4.15Å; H390-E406 HydrophobicContact CB-CG 4.13Å; H390-E406 WeakPolarHBondContact CB-OE1 3.45Å; H390-E406 PolarHBondContact N-OE1 2.95Å; H390-E406 PolarHBondContact O-N 3.44Å; L392-E406 HydrophobicContact CD1-CB 4.28Å; E406-M408 HydrophobicContact CB-CE 4.08Å; E406-M408 HydrophobicContact CG-CE 3.51Å; E406-M408 WeakPolarHBondContact OE2-CE 3.24Å; E406-K475 IonicContact OE1-NZ 3.94Å; E406-K475 PolarHBondContact OE1-NZ 3.42Å; E406-K475 IonicContact OE2-NZ 2.79Å; E406-K475 PolarHBondContact OE2-NZ 2.75Å
407	F	94.5	Very high	90.6	Very high	31 Å²	31	41 Å²	41	14%	0.136	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-80.1	128.8	-178.7	-179.8	-102.9	0	0	0	111.4	V339 K349 P357 A359 P409	V339-F407 HydrophobicContact CG2-CE2 4.23Å; K349-F407 HydrophobicContact CD-CE2 4.09Å; K349-F407 HydrophobicContact CD-CZ 4.12Å; K349-F407 HydrophobicContact CG-CD2 4.01Å; K349-F407 HydrophobicContact CG-CE2 3.89Å; K349-F407 HydrophobicContact CG-CZ 4.38Å; P357-F407 HydrophobicContact CB-CB 3.97Å; P357-F407 HydrophobicContact CB-CD1 4.45Å; P357-F407 HydrophobicContact CB-CG 4.47Å; P357-F407 HydrophobicContact CG-CB 4.45Å; P357-F407 WeakPolarHBondContact O-CB 3.06Å; P357-F407 PolarHBondContact O-N 2.84Å; A359-F407 HydrophobicContact CB-CD2 4.25Å; F407-P409 HydrophobicContact CE1-CB 4.25Å
408	M	94.6	Very high	90.1	Very high	14 Å²	14	37.7 Å²	37.7	7%	0.069	20%	0.197	C	C	.	.			trans	-99.1	110.9	177.4	-67	-64	118.9	0	0	110.4	I389 E406 L467 D469 K475	I389-M408 HydrophobicContact CD1-CE 3.7Å; I389-M408 HydrophobicContact CD1-CG 3.47Å; I389-M408 VanDerWaalsContact CD1-CG 3.47Å; I389-M408 HydrophobicContact CD1-SD 3.98Å; E406-M408 HydrophobicContact CB-CE 4.08Å; E406-M408 HydrophobicContact CG-CE 3.51Å; E406-M408 WeakPolarHBondContact OE2-CE 3.24Å; M408-L467 HydrophobicContact CB-CB 3.79Å; M408-L467 HydrophobicContact CB-CD1 4.19Å; M408-L467 HydrophobicContact CB-CG 4.49Å; M408-L467 HydrophobicContact CG-CB 3.58Å; M408-L467 HydrophobicContact CG-CD1 3.86Å; M408-L467 HydrophobicContact CG-CG 4.36Å; M408-D469 HydrophobicContact SD-CB 3.95Å; M408-K475 HydrophobicContact CE-CD 3.71Å; M408-K475 HydrophobicContact SD-CD 3.51Å; M408-K475 VanDerWaalsContact SD-CD 3.51Å
409	P	90.4	Very high	89.1	Confident	33 Å²	33	39.8 Å²	39.8	21%	0.214	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-27.7	-170.3	31.2	-38.1	0	0	0	114	F407 E411 Y470	F407-P409 HydrophobicContact CE1-CB 4.25Å; P409-E411 VanDerWaalsContact C-N 3.32Å; P409-Y470 HydrophobicContact CB-CD1 4.11Å; P409-Y470 HydrophobicContact CB-CE1 3.77Å; P409-Y470 HydrophobicContact CG-CD1 3.56Å; P409-Y470 HydrophobicContact CG-CD2 3.88Å; P409-Y470 HydrophobicContact CG-CE1 3.63Å; P409-Y470 HydrophobicContact CG-CE2 3.94Å; P409-Y470 HydrophobicContact CG-CG 3.68Å
410	N	91.6	Very high	87.9	Confident	34 Å²	34	38.5 Å²	38.5	18%	0.182	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	11.6	-177.2	-70.5	-41.2	0	0	0	112.5	Y416 L468 D469 F472	N410-Y416 WeakPolarHBondContact O-CE2 3.39Å; N410-Y416 PolarHBondContact O-OH 2.81Å; N410-L468 HydrophobicContact CB-CB 3.66Å; N410-L468 PolarHBondContact N-O 2.74Å; N410-D469 PolarHBondContact ND2-O 2.67Å; N410-F472 HydrophobicContact CB-CE2 4.27Å; N410-F472 HydrophobicContact CB-CZ 4.24Å; N410-F472 VanDerWaalsContact CG-CE2 3.49Å; N410-F472 WeakPolarHBondContact ND2-CD2 3.02Å; N410-F472 VanDerWaalsContact ND2-CE2 3.32Å; N410-F472 WeakPolarHBondContact ND2-CE2 3.45Å
411	E	92	Very high	86.2	Confident	90 Å²	90	37.3 Å²	37.3	42%	0.421	18%	0.181	S	C	.	.			trans	57.9	-151.5	176.2	-62	168.4	-152	0	0	112.9	P409 K415 L467 L468	P409-E411 VanDerWaalsContact C-N 3.32Å; E411-K415 VanDerWaalsContact CD-NZ 3.29Å; E411-K415 IonicContact OE1-NZ 3.68Å; E411-K415 PolarHBondContact OE1-NZ 2.85Å; E411-K415 WeakPolarHBondContact OE2-CD 3.42Å; E411-K415 IonicContact OE2-NZ 3.43Å; E411-K415 PolarHBondContact OE2-NZ 2.83Å; E411-L467 CarbonylContact O-C 3.48Å; E411-L467 WeakPolarHBondContact O-CA 3.04Å; E411-L468 PolarHBondContact O-N 2.66Å
412	S	93.3	Very high	84.2	Confident	18 Å²	18	44 Å²	44	13%	0.126	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-86	152.8	-177.4	64.2	0	0	0	0	112.8	E414 K415 Y416 H464 I466	S412-E414 PolarHBondContact O-N 3.42Å; S412-K415 WeakPolarHBondContact O-CB 3.5Å; S412-K415 PolarHBondContact O-N 3.08Å; S412-Y416 WeakPolarHBondContact O-CD2 3.15Å; S412-H464 VanDerWaalsContact CB-O 3.24Å; S412-H464 WeakPolarHBondContact CB-O 3.42Å; S412-I466 CarbonylContact C-O 3.57Å; S412-I466 VanDerWaalsContact CA-O 3.28Å; S412-I466 WeakPolarHBondContact CA-O 3.49Å
413	L	93.5	Very high	81.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.9	174.6	178.3	61.6	0	0	0	112.3	K415 Y416 I417 L429 I437 I441 P463 I466 L528	L413-K415 PolarHBondContact O-N 3.48Å; L413-Y416 PolarHBondContact O-N 3.47Å; L413-I417 HydrophobicContact CD1-CG2 3.88Å; L413-I417 HydrophobicContact CG-CG2 3.93Å; L413-I417 PolarHBondContact O-N 2.85Å; L413-L429 HydrophobicContact CD1-CD1 3.57Å; L413-I437 HydrophobicContact CD1-CD1 3.98Å; L413-I437 HydrophobicContact CD1-CG2 4.08Å; L413-I437 HydrophobicContact CD2-CG2 3.82Å; L413-I441 HydrophobicContact CD2-CD1 4.32Å; L413-P463 PolarHBondContact N-O 3.29Å; L413-I466 HydrophobicContact CB-CB 3.9Å; L413-I466 HydrophobicContact CB-CG2 4.13Å; L413-I466 HydrophobicContact CD2-CB 4.27Å; L413-I466 HydrophobicContact CD2-CG2 4.26Å; L413-I466 PolarHBondContact N-O 3.02Å; L413-L528 HydrophobicContact CD2-CD2 4.04Å
414	E	89.7	Confident	79.6	Confident	50 Å²	50	54.4 Å²	54.4	23%	0.234	27%	0.273	C	S	.	.	H	α-helix	trans	-46.7	-38.4	177.3	-178.4	174.3	-156.4	0	0	112.6	S412 Y416 F418 P463 H464 R537	S412-E414 PolarHBondContact O-N 3.42Å; E414-Y416 PolarHBondContact O-N 3.35Å; E414-F418 HydrophobicContact CG-CD2 4.01Å; E414-F418 HydrophobicContact CG-CE2 3.94Å; E414-F418 WeakPolarHBondContact O-CD2 3.46Å; E414-P463 HydrophobicContact CB-CB 3.94Å; E414-P463 PolarHBondContact N-O 3.15Å; E414-H464 IonicContact OE2-CG 2.84Å; E414-H464 IonicContact OE2-ND1 3.37Å; E414-H464 PolarHBondContact OE2-ND1 3.09Å; E414-R537 IonicContact OE1-NH2 2.85Å; E414-R537 PolarHBondContact OE1-NH2 2.63Å
415	K	86.9	Confident	77.2	Confident	71 Å²	71	60.9 Å²	60.9	31%	0.309	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-23.8	-179.2	-176.6	171.5	-173.1	175.3	0	113.6	E411 S412 L413 Q426	E411-K415 VanDerWaalsContact CD-NZ 3.29Å; E411-K415 IonicContact OE1-NZ 3.68Å; E411-K415 PolarHBondContact OE1-NZ 2.85Å; E411-K415 WeakPolarHBondContact OE2-CD 3.42Å; E411-K415 IonicContact OE2-NZ 3.43Å; E411-K415 PolarHBondContact OE2-NZ 2.83Å; S412-K415 WeakPolarHBondContact O-CB 3.5Å; S412-K415 PolarHBondContact O-N 3.08Å; L413-K415 PolarHBondContact O-N 3.48Å; K415-Q426 PolarHBondContact O-NE2 3.42Å; K415-Q426 PolarHBondContact O-OE1 3.38Å
416	Y	87.4	Confident	75.2	Confident	32 Å²	32	62.4 Å²	62.4	13%	0.125	32%	0.323	C	S	.	.	H	α-helix	trans	-111.5	-6.1	-170.5	-54.8	-89.4	0	0	0	114.4	N410 S412 L413 E414 L468 F472	N410-Y416 WeakPolarHBondContact O-CE2 3.39Å; N410-Y416 PolarHBondContact O-OH 2.81Å; S412-Y416 WeakPolarHBondContact O-CD2 3.15Å; L413-Y416 PolarHBondContact O-N 3.47Å; E414-Y416 PolarHBondContact O-N 3.35Å; Y416-L468 HydrophobicContact CD2-CD1 3.68Å; Y416-L468 HydrophobicContact CE2-CD1 3.6Å; Y416-F472 HydrophobicContact CD1-CE1 4.04Å; Y416-F472 AromaticContact CE1-CE1 3.67Å; Y416-F472 HydrophobicContact CE1-CE1 3.67Å; Y416-F472 AromaticContact CE1-CZ 3.82Å; Y416-F472 HydrophobicContact CE1-CZ 3.82Å; Y416-F472 HydrophobicContact CE2-CE1 4.28Å; Y416-F472 HydrophobicContact CG-CE1 4.47Å; Y416-F472 AromaticContact CZ-CE1 3.8Å; Y416-F472 AromaticContact CZ-CZ 3.96Å
417	I	84.4	Confident	73.7	Confident	4 Å²	4	69.6 Å²	69.6	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-102.2	-18.4	-177.6	60.1	166.8	0	0	0	113.2	L413 L429 P463 E531 M532 G535	L413-I417 HydrophobicContact CD1-CG2 3.88Å; L413-I417 HydrophobicContact CG-CG2 3.93Å; L413-I417 PolarHBondContact O-N 2.85Å; I417-L429 HydrophobicContact CG2-CD1 3.94Å; I417-P463 HydrophobicContact CD1-CB 3.45Å; I417-P463 VanDerWaalsContact CD1-CB 3.45Å; I417-P463 HydrophobicContact CD1-CG 3.35Å; I417-P463 HydrophobicContact CG1-CB 4.44Å; I417-E531 HydrophobicContact CD1-CB 4.38Å; I417-M532 HydrophobicContact CG2-CB 4.13Å; I417-M532 HydrophobicContact CG2-CG 3.97Å; I417-G535 CarbonylContact O-C 3.57Å; I417-G535 VanDerWaalsContact O-CA 3.29Å; I417-G535 WeakPolarHBondContact O-CA 3.21Å
418	F	77.5	Confident	72.5	Confident	10 Å²	10	69.7 Å²	69.7	4%	0.044	36%	0.358	C	S	.	.	S	Bend	trans	-114.2	137	179.3	-53.8	-51.8	0	0	0	109.9	E414 H420 E531 R536 R537	E414-F418 HydrophobicContact CG-CD2 4.01Å; E414-F418 HydrophobicContact CG-CE2 3.94Å; E414-F418 WeakPolarHBondContact O-CD2 3.46Å; F418-H420 PolarHBondContact O-N 2.77Å; F418-E531 HydrophobicContact CE1-CB 4.18Å; F418-E531 HydrophobicContact CZ-CB 4.35Å; F418-R536 WeakPolarHBondContact CE1-O 3.36Å; F418-R537 HydrophobicContact CD1-CG 3.55Å; F418-R537 HydrophobicContact CD2-CG 4.05Å; F418-R537 HydrophobicContact CE1-CB 4.14Å; F418-R537 HydrophobicContact CE1-CG 3.4Å; F418-R537 VanDerWaalsContact CE1-CG 3.4Å; F418-R537 HydrophobicContact CE2-CG 3.87Å; F418-R537 HydrophobicContact CG-CG 3.89Å; F418-R537 HydrophobicContact CZ-CB 4.41Å; F418-R537 HydrophobicContact CZ-CG 3.55Å
419	L	62.4	Low	71.9	Confident	115 Å²	115	69.8 Å²	69.8	60%	0.602	36%	0.359	S	S	*	.			trans	-68.8	102.4	170.4	-73.7	161.1	0	0	0	108.7	D421 L428	L419-D421 PolarHBondContact O-N 2.98Å; L419-L428 HydrophobicContact CD1-CD1 4.33Å; L419-L428 HydrophobicContact CD2-CD1 3.93Å; L419-L428 HydrophobicContact CD2-CD2 4.21Å; L419-L428 HydrophobicContact CD2-CG 4Å; L419-L428 HydrophobicContact CG-CD1 4.04Å; L419-L428 HydrophobicContact CG-CD2 4.18Å; L419-L428 HydrophobicContact CG-CG 4.36Å
420	H	57.4	Low	71.8	Confident	81 Å²	81	70.1 Å²	70.1	38%	0.375	36%	0.362	S	S	.	.			trans	-91.6	91.2	172.7	-77.3	-18.4	0	0	0	109.5	F418 T424 R537	F418-H420 PolarHBondContact O-N 2.77Å; H420-T424 PolarHBondContact O-OG1 3.44Å; H420-T424 VanDerWaalsContact O-OG1 3.06Å; H420-R537 PolarHBondContact CE1-NH2 3.32Å
421	D	50.6	Low	71.8	Confident	106 Å²	106	68.6 Å²	68.6	57%	0.567	35%	0.354	S	S	*	.			trans	68.8	137.1	170.7	-160.6	9.5	0	0	0	115.4	L419 N423 T424	L419-D421 PolarHBondContact O-N 2.98Å; D421-N423 PolarHBondContact O-N 3.01Å; D421-N423 PolarHBondContact OD2-ND2 3.07Å; D421-T424 PolarHBondContact O-N 3Å
422	H	50.2	Low	71.7	Confident	195 Å²	195	68.1 Å²	68.1	90%	0.903	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.9	-178.5	-71.7	-73.1	0	0	0	113.3
423	N	45.7	Very low	71.7	Confident	134 Å²	134	70.9 Å²	70.9	72%	0.717	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-11.8	-174.2	-64.4	-45	0	0	0	114.5	D421	D421-N423 PolarHBondContact O-N 3.01Å; D421-N423 PolarHBondContact OD2-ND2 3.07Å
424	T	45.1	Very low	71.7	Confident	84 Å²	84	71.1 Å²	71.1	52%	0.515	37%	0.365	S	S	.	.	S	Bend	trans	-109.1	119.6	175.8	3.2	0	0	0	0	109.2	H420 D421 Q426	H420-T424 PolarHBondContact O-OG1 3.44Å; H420-T424 VanDerWaalsContact O-OG1 3.06Å; D421-T424 PolarHBondContact O-N 3Å; T424-Q426 PolarHBondContact O-N 3Å
425	P	46.1	Very low	71.9	Confident	135 Å²	135	70.6 Å²	70.6	88%	0.877	36%	0.364	S	S	*	.			trans	-71.3	75	172.2	29.4	-31.7	0	0	0	108.1
426	Q	53.2	Low	72.4	Confident	51 Å²	51	71.4 Å²	71.4	24%	0.238	37%	0.371	C	S	.	.			trans	-90	108.3	176.3	-161.9	160.6	22.8	0	0	107.2	K415 T424 L428	K415-Q426 PolarHBondContact O-NE2 3.42Å; K415-Q426 PolarHBondContact O-OE1 3.38Å; T424-Q426 PolarHBondContact O-N 3Å; Q426-L428 PolarHBondContact O-N 3.47Å; Q426-L428 VanDerWaalsContact O-N 3.1Å
427	E	60.3	Low	72.9	Confident	174 Å²	174	69.9 Å²	69.9	81%	0.813	37%	0.365	S	S	*	.			trans	-67.2	109.4	176.6	-157.8	174.3	-171.5	0	0	107.9
428	L	69.9	Low	73.5	Confident	32 Å²	32	69.7 Å²	69.7	17%	0.168	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-56.7	151.9	171.5	-73.4	175	0	0	0	109.5	L419 Q426 S430 S568	L419-L428 HydrophobicContact CD1-CD1 4.33Å; L419-L428 HydrophobicContact CD2-CD1 3.93Å; L419-L428 HydrophobicContact CD2-CD2 4.21Å; L419-L428 HydrophobicContact CD2-CG 4Å; L419-L428 HydrophobicContact CG-CD1 4.04Å; L419-L428 HydrophobicContact CG-CD2 4.18Å; L419-L428 HydrophobicContact CG-CG 4.36Å; Q426-L428 PolarHBondContact O-N 3.47Å; Q426-L428 VanDerWaalsContact O-N 3.1Å; L428-S430 PolarHBondContact O-N 3.19Å; L428-S568 WeakPolarHBondContact CD1-OG 3.05Å
429	L	83.4	Confident	74.5	Confident	16 Å²	16	70.3 Å²	70.3	8%	0.084	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-56.2	131.3	178	-68.6	170.8	0	0	0	111	L413 I417 K433 M434 I437 M532	L413-L429 HydrophobicContact CD1-CD1 3.57Å; I417-L429 HydrophobicContact CG2-CD1 3.94Å; L429-K433 HydrophobicContact CD2-CB 4.16Å; L429-M434 HydrophobicContact CB-CE 4.23Å; L429-M434 HydrophobicContact CB-CG 3.82Å; L429-M434 WeakPolarHBondContact O-CE 3.36Å; L429-I437 HydrophobicContact CD1-CD1 3.79Å; L429-I437 HydrophobicContact CD2-CD1 3.93Å; L429-M532 HydrophobicContact CD1-SD 4.34Å
430	S	87.7	Confident	76.2	Confident	40 Å²	40	65 Å²	65	28%	0.28	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-67	150.9	168.3	65.9	0	0	0	0	110.2	L428 N432 K433 M434	L428-S430 PolarHBondContact O-N 3.19Å; S430-N432 PolarHBondContact O-N 3.32Å; S430-N432 VanDerWaalsContact O-N 3.17Å; S430-K433 WeakPolarHBondContact O-CA 3.24Å; S430-K433 WeakPolarHBondContact O-CB 3.28Å; S430-K433 PolarHBondContact O-N 3.15Å; S430-M434 PolarHBondContact O-N 3.32Å
431	P	90.2	Very high	78.2	Confident	3 Å²	3	61.2 Å²	61.2	2%	0.019	32%	0.324	C	S	.	.	H	α-helix	trans	-54.5	-35.7	179.2	-33.5	42.2	0	0	0	114.1	K433 M434 L435 M571 E575 V579	P431-K433 PolarHBondContact O-N 3.24Å; P431-M434 WeakPolarHBondContact O-CB 3.23Å; P431-M434 PolarHBondContact O-N 3.46Å; P431-L435 PolarHBondContact O-N 3.19Å; P431-M571 HydrophobicContact CG-CG 4.39Å; P431-M571 HydrophobicContact CG-SD 3.91Å; P431-E575 HydrophobicContact CB-CB 4.02Å; P431-E575 HydrophobicContact CB-CG 4.1Å; P431-E575 HydrophobicContact CG-CB 3.92Å; P431-E575 HydrophobicContact CG-CG 4.13Å; P431-V579 HydrophobicContact CB-CG2 3.87Å; P431-V579 HydrophobicContact CG-CG2 3.87Å
432	N	91.5	Very high	80.5	Confident	79 Å²	79	56.1 Å²	56.1	42%	0.422	30%	0.297	S	S	.	.	H	α-helix	trans	-59	-45.2	172.3	-70.6	-57.4	0	0	0	111.9	S430 L435 D436 M578	S430-N432 PolarHBondContact O-N 3.32Å; S430-N432 VanDerWaalsContact O-N 3.17Å; N432-L435 WeakPolarHBondContact O-CB 3.01Å; N432-L435 PolarHBondContact O-N 3.38Å; N432-D436 PolarHBondContact O-N 2.95Å; N432-M578 WeakPolarHBondContact OD1-CE 3.36Å; N432-M578 PolarHBondContact OD1-SD 3.42Å
433	K	92	Very high	82.8	Confident	76 Å²	76	52.3 Å²	52.3	33%	0.33	28%	0.275	S	S	.	.	H	α-helix	trans	-68.9	-37.5	176.7	-73.1	-64.6	-173.4	-175.9	0	112.4	L429 S430 P431 L435 D436 I437	L429-K433 HydrophobicContact CD2-CB 4.16Å; S430-K433 WeakPolarHBondContact O-CA 3.24Å; S430-K433 WeakPolarHBondContact O-CB 3.28Å; S430-K433 PolarHBondContact O-N 3.15Å; P431-K433 PolarHBondContact O-N 3.24Å; K433-L435 VanDerWaalsContact C-N 3.28Å; K433-L435 PolarHBondContact O-N 3.4Å; K433-D436 PolarHBondContact O-N 3.19Å; K433-I437 WeakPolarHBondContact O-CB 3.42Å; K433-I437 WeakPolarHBondContact O-CD1 3.19Å; K433-I437 WeakPolarHBondContact O-CG1 3.27Å; K433-I437 PolarHBondContact O-N 2.61Å
434	M	93.7	Very high	85.3	Confident	5 Å²	5	46 Å²	46	3%	0.025	24%	0.241	C	C	.	.	H	α-helix	trans	-58.4	-43.3	173	-63.1	-175.4	-176.8	0	0	111.2	L429 S430 P431 I437 A438 M532 L567 L582	L429-M434 HydrophobicContact CB-CE 4.23Å; L429-M434 HydrophobicContact CB-CG 3.82Å; L429-M434 WeakPolarHBondContact O-CE 3.36Å; S430-M434 PolarHBondContact O-N 3.32Å; P431-M434 WeakPolarHBondContact O-CB 3.23Å; P431-M434 PolarHBondContact O-N 3.46Å; M434-I437 PolarHBondContact O-N 3.44Å; M434-A438 WeakPolarHBondContact O-CB 3.44Å; M434-A438 PolarHBondContact O-N 2.81Å; M434-M532 HydrophobicContact CB-CE 4.07Å; M434-M532 HydrophobicContact CB-CG 4.09Å; M434-M532 HydrophobicContact CB-SD 3.89Å; M434-M532 VanDerWaalsContact CE-O 3.29Å; M434-M532 WeakPolarHBondContact CE-O 3.38Å; M434-M532 HydrophobicContact CG-CG 3.77Å; M434-M532 HydrophobicContact CG-SD 4.08Å; M434-M532 VanDerWaalsContact O-CE 3.32Å; M434-M532 WeakPolarHBondContact O-CE 3.4Å; M434-M532 HydrophobicContact SD-CG 4.06Å; M434-L567 HydrophobicContact CE-CD1 3.96Å; M434-L567 HydrophobicContact CE-CD2 4.2Å; M434-L582 HydrophobicContact CB-CD1 3.99Å
435	L	95.3	Very high	87.8	Confident	39 Å²	39	42 Å²	42	20%	0.204	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-50.2	177.2	179.9	66	0	0	0	111.8	P431 N432 K433 I437 A438 L439 M578 L582 I607	P431-L435 PolarHBondContact O-N 3.19Å; N432-L435 WeakPolarHBondContact O-CB 3.01Å; N432-L435 PolarHBondContact O-N 3.38Å; K433-L435 VanDerWaalsContact C-N 3.28Å; K433-L435 PolarHBondContact O-N 3.4Å; L435-I437 VanDerWaalsContact C-N 3.29Å; L435-I437 PolarHBondContact O-N 2.9Å; L435-A438 PolarHBondContact O-N 2.04Å; L435-L439 VanDerWaalsContact O-CB 3.27Å; L435-L439 WeakPolarHBondContact O-CB 3.41Å; L435-L439 PolarHBondContact O-N 3.39Å; L435-M578 HydrophobicContact CD2-CG 4.4Å; L435-M578 HydrophobicContact CD2-SD 3.9Å; L435-L582 HydrophobicContact CB-CD1 4.48Å; L435-L582 HydrophobicContact CD1-CD2 3.99Å; L435-L582 HydrophobicContact CD1-CG 4.41Å; L435-I607 HydrophobicContact CD1-CG2 3.48Å; L435-I607 VanDerWaalsContact CD1-CG2 3.48Å
436	D	96.4	Very high	90.3	Very high	88 Å²	88	38 Å²	38	47%	0.471	19%	0.186	S	C	.	.	H	α-helix	trans	-57.6	-43.3	177.9	-73.7	-22.5	0	0	0	111.7	N432 K433 G440	N432-D436 PolarHBondContact O-N 2.95Å; K433-D436 PolarHBondContact O-N 3.19Å; D436-G440 PolarHBondContact O-N 3.33Å
437	I	97.5	Very high	92.3	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.1	-49.8	179.3	-71.5	165.2	0	0	0	110.6	L413 L429 K433 M434 L435 L439 G440 I441 L468 P474 M532	L413-I437 HydrophobicContact CD1-CD1 3.98Å; L413-I437 HydrophobicContact CD1-CG2 4.08Å; L413-I437 HydrophobicContact CD2-CG2 3.82Å; L429-I437 HydrophobicContact CD1-CD1 3.79Å; L429-I437 HydrophobicContact CD2-CD1 3.93Å; K433-I437 WeakPolarHBondContact O-CB 3.42Å; K433-I437 WeakPolarHBondContact O-CD1 3.19Å; K433-I437 WeakPolarHBondContact O-CG1 3.27Å; K433-I437 PolarHBondContact O-N 2.61Å; M434-I437 PolarHBondContact O-N 3.44Å; L435-I437 VanDerWaalsContact C-N 3.29Å; L435-I437 PolarHBondContact O-N 2.9Å; I437-L439 VanDerWaalsContact C-N 3.29Å; I437-L439 PolarHBondContact O-N 2.73Å; I437-G440 PolarHBondContact O-N 3.33Å; I437-I441 HydrophobicContact CG2-CD1 3.72Å; I437-I441 HydrophobicContact CG2-CG1 4.44Å; I437-I441 VanDerWaalsContact O-CG1 3.24Å; I437-I441 WeakPolarHBondContact O-CG1 3.47Å; I437-I441 PolarHBondContact O-N 3.45Å; I437-L468 HydrophobicContact CD1-CD2 4.35Å; I437-L468 HydrophobicContact CG1-CD2 4.44Å; I437-P474 HydrophobicContact CG2-CB 4.27Å; I437-P474 WeakPolarHBondContact O-CG 3.18Å; I437-M532 HydrophobicContact CB-SD 4.44Å; I437-M532 HydrophobicContact CG2-SD 4.14Å
438	A	98.2	Very high	93.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-56.5	-45	176.8	0	0	0	0	0	111.5	M434 L435 I441 A442 V529 M532 L582 I607	M434-A438 WeakPolarHBondContact O-CB 3.44Å; M434-A438 PolarHBondContact O-N 2.81Å; L435-A438 PolarHBondContact O-N 2.04Å; A438-I441 PolarHBondContact O-N 3.07Å; A438-A442 VanDerWaalsContact O-CB 3.29Å; A438-A442 WeakPolarHBondContact O-CB 3.18Å; A438-A442 PolarHBondContact O-N 3.26Å; A438-V529 HydrophobicContact CB-CG2 4.28Å; A438-M532 HydrophobicContact CB-CE 3.89Å; A438-L582 HydrophobicContact CB-CD2 3.65Å; A438-I607 HydrophobicContact CB-CD1 4.34Å
439	L	98.4	Very high	95.1	Very high	23 Å²	23	29.3 Å²	29.3	12%	0.12	14%	0.142	C	C	.	.	H	α-helix	trans	-65	-44.1	179.8	-178.7	58.2	0	0	0	111.9	L435 I437 A442 R443 V604 I607 T608	L435-L439 VanDerWaalsContact O-CB 3.27Å; L435-L439 WeakPolarHBondContact O-CB 3.41Å; L435-L439 PolarHBondContact O-N 3.39Å; I437-L439 VanDerWaalsContact C-N 3.29Å; I437-L439 PolarHBondContact O-N 2.73Å; L439-A442 PolarHBondContact O-N 2.91Å; L439-R443 HydrophobicContact CD1-CG 4.46Å; L439-R443 WeakPolarHBondContact O-CG 3.16Å; L439-R443 PolarHBondContact O-N 2.93Å; L439-V604 HydrophobicContact CD1-CG1 4.07Å; L439-I607 HydrophobicContact CB-CG2 4.04Å; L439-I607 HydrophobicContact CD1-CB 4.45Å; L439-I607 HydrophobicContact CD1-CG2 4.07Å; L439-T608 HydrophobicContact CD1-CG2 3.69Å; L439-T608 HydrophobicContact CD2-CG2 4.06Å
440	G	98.5	Very high	95.4	Very high	5 Å²	5	32.2 Å²	32.2	5%	0.052	16%	0.155	C	C	.	.	H	α-helix	trans	-62.4	-45.5	177.3	0	0	0	0	0	112.3	N387 D436 I437 A442 R443 G444	N387-G440 WeakPolarHBondContact CB-O 3.1Å; N387-G440 WeakPolarHBondContact ND2-CA 3.46Å; N387-G440 PolarHBondContact OD1-O 3.34Å; D436-G440 PolarHBondContact O-N 3.33Å; I437-G440 PolarHBondContact O-N 3.33Å; G440-A442 VanDerWaalsContact C-N 3.33Å; G440-A442 PolarHBondContact O-N 2.89Å; G440-R443 PolarHBondContact O-N 3.43Å; G440-G444 PolarHBondContact O-N 2.98Å
441	I	98.7	Very high	95.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60	-46.3	174.4	-61.4	162.7	0	0	0	109.9	L413 I437 A438 R443 G444 M445 I466 P474 I476 F525 L528	L413-I441 HydrophobicContact CD2-CD1 4.32Å; I437-I441 HydrophobicContact CG2-CD1 3.72Å; I437-I441 HydrophobicContact CG2-CG1 4.44Å; I437-I441 VanDerWaalsContact O-CG1 3.24Å; I437-I441 WeakPolarHBondContact O-CG1 3.47Å; I437-I441 PolarHBondContact O-N 3.45Å; A438-I441 PolarHBondContact O-N 3.07Å; I441-R443 VanDerWaalsContact C-N 3.34Å; I441-R443 PolarHBondContact O-N 3.12Å; I441-G444 PolarHBondContact O-N 3.22Å; I441-G444 VanDerWaalsContact O-N 3.15Å; I441-M445 HydrophobicContact CG2-CG 4.34Å; I441-M445 HydrophobicContact CG2-SD 3.94Å; I441-M445 WeakPolarHBondContact O-CG 3.5Å; I441-M445 PolarHBondContact O-N 2.88Å; I441-I466 HydrophobicContact CD1-CD1 4.28Å; I441-I466 HydrophobicContact CD1-CG1 3.97Å; I441-I466 HydrophobicContact CD1-CG2 3.98Å; I441-I466 HydrophobicContact CG1-CD1 4.15Å; I441-I466 HydrophobicContact CG1-CG1 4.32Å; I441-I466 HydrophobicContact CG1-CG2 4.03Å; I441-I466 HydrophobicContact CG2-CD1 4.31Å; I441-P474 HydrophobicContact CG1-CB 3.85Å; I441-P474 HydrophobicContact CG1-CG 4.18Å; I441-I476 HydrophobicContact CG2-CD1 4.34Å; I441-I476 HydrophobicContact CG2-CG1 4.42Å; I441-F525 HydrophobicContact CB-CD2 4.41Å; I441-F525 HydrophobicContact CB-CE2 4.15Å; I441-F525 HydrophobicContact CG2-CD2 3.73Å; I441-F525 HydrophobicContact CG2-CE2 3.98Å; I441-L528 HydrophobicContact CD1-CD1 4.36Å; I441-L528 HydrophobicContact CD1-CD2 3.89Å
442	A	98.7	Very high	94.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.4	-41.8	-178.9	0	0	0	0	0	112.8	A438 L439 G440 M445 E446 F525 M600 V603 V604 I607	A438-A442 VanDerWaalsContact O-CB 3.29Å; A438-A442 WeakPolarHBondContact O-CB 3.18Å; A438-A442 PolarHBondContact O-N 3.26Å; L439-A442 PolarHBondContact O-N 2.91Å; G440-A442 VanDerWaalsContact C-N 3.33Å; G440-A442 PolarHBondContact O-N 2.89Å; A442-M445 PolarHBondContact O-N 3.5Å; A442-E446 WeakPolarHBondContact O-CB 3Å; A442-E446 PolarHBondContact O-N 2.79Å; A442-F525 HydrophobicContact CB-CE2 4.1Å; A442-F525 HydrophobicContact CB-CZ 4.05Å; A442-M600 VanDerWaalsContact CA-CE 3.45Å; A442-M600 HydrophobicContact CB-CE 3.66Å; A442-V603 HydrophobicContact CB-CG1 4.09Å; A442-V604 HydrophobicContact CB-CG2 3.75Å; A442-I607 HydrophobicContact CB-CD1 4.13Å
443	R	98.5	Very high	94.4	Very high	115 Å²	115	36.4 Å²	36.4	43%	0.434	19%	0.185	S	C	.	.	H	α-helix	trans	-64.6	-42.6	173.6	-74.1	173.8	172.6	165.9	-0.8	112.3	L439 G440 I441 M445 E446 Y447 V604	L439-R443 HydrophobicContact CD1-CG 4.46Å; L439-R443 WeakPolarHBondContact O-CG 3.16Å; L439-R443 PolarHBondContact O-N 2.93Å; G440-R443 PolarHBondContact O-N 3.43Å; I441-R443 VanDerWaalsContact C-N 3.34Å; I441-R443 PolarHBondContact O-N 3.12Å; R443-M445 VanDerWaalsContact C-N 3.33Å; R443-M445 PolarHBondContact O-N 2.94Å; R443-E446 PolarHBondContact O-N 2.74Å; R443-Y447 PolarHBondContact O-N 3.45Å; R443-V604 HydrophobicContact CG-CG2 4.16Å
444	G	98	Very high	94.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.4	-46.9	174	0	0	0	0	0	111.8	G440 I441 Y447 L448	G440-G444 PolarHBondContact O-N 2.98Å; I441-G444 PolarHBondContact O-N 3.22Å; I441-G444 VanDerWaalsContact O-N 3.15Å; G444-Y447 WeakPolarHBondContact O-CB 3.11Å; G444-Y447 PolarHBondContact O-N 2.85Å; G444-L448 WeakPolarHBondContact O-CG 3.46Å; G444-L448 PolarHBondContact O-N 2.92Å; G444-L448 VanDerWaalsContact O-N 3.1Å
445	M	98	Very high	94	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-69.4	-37.9	178	-66.5	178.2	57.8	0	0	113.3	I441 A442 R443 Y447 L448 H449 I461 I476 D521 F525 M600	I441-M445 HydrophobicContact CG2-CG 4.34Å; I441-M445 HydrophobicContact CG2-SD 3.94Å; I441-M445 WeakPolarHBondContact O-CG 3.5Å; I441-M445 PolarHBondContact O-N 2.88Å; A442-M445 PolarHBondContact O-N 3.5Å; R443-M445 VanDerWaalsContact C-N 3.33Å; R443-M445 PolarHBondContact O-N 2.94Å; M445-Y447 VanDerWaalsContact C-N 3.27Å; M445-Y447 PolarHBondContact O-N 3.2Å; M445-L448 WeakPolarHBondContact O-CB 3.49Å; M445-L448 PolarHBondContact O-N 3.34Å; M445-H449 WeakPolarHBondContact O-CB 3.33Å; M445-H449 PolarHBondContact O-CD2 3.3Å; M445-H449 VanDerWaalsContact O-CG 3.24Å; M445-H449 PolarHBondContact O-N 3.46Å; M445-I461 HydrophobicContact CE-CG1 4.44Å; M445-I461 HydrophobicContact CG-CD1 4.46Å; M445-I461 HydrophobicContact SD-CD1 4.4Å; M445-I461 HydrophobicContact SD-CG1 4.29Å; M445-I461 HydrophobicContact SD-CG2 4.4Å; M445-I476 HydrophobicContact CG-CD1 3.67Å; M445-D521 HydrophobicContact CE-CB 3.61Å; M445-D521 WeakPolarHBondContact CE-O 3.31Å; M445-F525 HydrophobicContact CE-CB 3.89Å; M445-F525 HydrophobicContact SD-CB 3.74Å; M445-F525 HydrophobicContact SD-CD2 3.86Å; M445-F525 HydrophobicContact SD-CG 4.09Å; M445-M600 HydrophobicContact CB-CE 3.92Å; M445-M600 HydrophobicContact CB-CG 3.85Å; M445-M600 HydrophobicContact CB-SD 4.4Å; M445-M600 HydrophobicContact CE-CE 4.07Å; M445-M600 HydrophobicContact CE-CG 4.16Å; M445-M600 HydrophobicContact CE-SD 3.79Å; M445-M600 HydrophobicContact CG-CE 4.5Å; M445-M600 HydrophobicContact SD-CE 3.93Å; M445-M600 HydrophobicContact SD-SD 4.44Å
446	E	97.4	Very high	93.9	Very high	52 Å²	52	36.8 Å²	36.8	24%	0.243	19%	0.185	C	C	.	.	H	α-helix	trans	-55.9	-45.2	171.9	177.9	179	-131.6	0	0	111	A442 R443 L448 H449 Q450 G451 M600 T601	A442-E446 WeakPolarHBondContact O-CB 3Å; A442-E446 PolarHBondContact O-N 2.79Å; R443-E446 PolarHBondContact O-N 2.74Å; E446-L448 PolarHBondContact O-N 2.9Å; E446-H449 PolarHBondContact O-N 3.33Å; E446-Q450 PolarHBondContact O-N 3.38Å; E446-G451 PolarHBondContact O-N 2.83Å; E446-M600 HydrophobicContact CB-CB 3.95Å; E446-T601 WeakPolarHBondContact OE1-CA 3.32Å; E446-T601 WeakPolarHBondContact OE1-CB 3.22Å; E446-T601 VanDerWaalsContact OE1-CG2 3.3Å; E446-T601 WeakPolarHBondContact OE1-CG2 3.49Å; E446-T601 PolarHBondContact OE1-OG1 3.47Å
447	Y	96.1	Very high	93.7	Very high	70 Å²	70	32.7 Å²	32.7	28%	0.275	16%	0.163	S	C	.	.	I	π-helix	trans	-61.1	-42.5	175.8	-174.5	-102.6	0	0	0	112.3	I383 H385 I388 R443 G444 M445 H449 G451 C452	I383-Y447 HydrophobicContact CG2-CD1 4.31Å; I383-Y447 HydrophobicContact CG2-CE1 3.96Å; H385-Y447 HydrophobicContact CB-CD1 3.86Å; H385-Y447 HydrophobicContact CB-CE1 4.17Å; H385-Y447 HydrophobicContact CB-CG 4.32Å; H385-Y447 AromaticContact CD2-CD2 3.9Å; H385-Y447 AromaticContact CD2-CG 3.61Å; I388-Y447 HydrophobicContact CD1-CD1 3.88Å; R443-Y447 PolarHBondContact O-N 3.45Å; G444-Y447 WeakPolarHBondContact O-CB 3.11Å; G444-Y447 PolarHBondContact O-N 2.85Å; M445-Y447 VanDerWaalsContact C-N 3.27Å; M445-Y447 PolarHBondContact O-N 3.2Å; Y447-H449 PolarHBondContact O-N 2.8Å; Y447-G451 CarbonylContact O-C 3.52Å; Y447-G451 WeakPolarHBondContact O-CA 3.25Å; Y447-G451 PolarHBondContact O-N 3.48Å; Y447-C452 WeakPolarHBondContact CE1-SG 3.31Å; Y447-C452 PolarHBondContact O-N 2.75Å; Y447-C452 VanDerWaalsContact O-N 3.08Å
448	L	94.9	Very high	93.6	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.163	C	C	.	.	I	π-helix	trans	-62.5	-41.7	174.9	-67	178.8	0	0	0	112.5	I383 I388 G444 M445 E446 I456 I476 F479	I383-L448 HydrophobicContact CD1-CD2 3.69Å; I388-L448 HydrophobicContact CD1-CD1 4.45Å; I388-L448 HydrophobicContact CD1-CD2 3.65Å; I388-L448 HydrophobicContact CD1-CG 3.81Å; G444-L448 WeakPolarHBondContact O-CG 3.46Å; G444-L448 PolarHBondContact O-N 2.92Å; G444-L448 VanDerWaalsContact O-N 3.1Å; M445-L448 WeakPolarHBondContact O-CB 3.49Å; M445-L448 PolarHBondContact O-N 3.34Å; E446-L448 PolarHBondContact O-N 2.9Å; L448-I456 HydrophobicContact CB-CB 4.19Å; L448-I456 HydrophobicContact CD2-CB 4.05Å; L448-I456 HydrophobicContact CD2-CD1 4.11Å; L448-I456 HydrophobicContact CD2-CG2 4.15Å; L448-I456 PolarHBondContact O-N 2.96Å; L448-I476 HydrophobicContact CD1-CD1 4.49Å; L448-F479 HydrophobicContact CD1-CE1 3.91Å; L448-F479 HydrophobicContact CD1-CZ 4.03Å; L448-F479 HydrophobicContact CD2-CE1 3.76Å; L448-F479 HydrophobicContact CD2-CZ 4.13Å
449	H	94.3	Very high	93.3	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.009	16%	0.164	C	C	.	.	I	π-helix	trans	-79.8	-31.1	-173.5	-68.5	-177.7	0	0	0	113.3	M445 E446 Y447 R455 I456 Y518 D521 M600	M445-H449 WeakPolarHBondContact O-CB 3.33Å; M445-H449 PolarHBondContact O-CD2 3.3Å; M445-H449 VanDerWaalsContact O-CG 3.24Å; M445-H449 PolarHBondContact O-N 3.46Å; E446-H449 PolarHBondContact O-N 3.33Å; Y447-H449 PolarHBondContact O-N 2.8Å; H449-R455 WeakPolarHBondContact O-CG 3.2Å; H449-R455 PolarHBondContact O-NE 2.89Å; H449-I456 PolarHBondContact CD2-O 2.93Å; H449-Y518 PolarHBondContact CE1-O 3.3Å; H449-Y518 VanDerWaalsContact CE1-O 3.29Å; H449-Y518 AromaticContact ND1-CD2 3.52Å; H449-D521 IonicContact CD2-OD2 2.71Å; H449-D521 IonicContact CE1-OD2 3.2Å; H449-D521 IonicContact NE2-OD2 3.78Å; H449-D521 PolarHBondContact NE2-OD2 2.71Å; H449-M600 WeakPolarHBondContact ND1-CG 3.49Å
450	Q	90	Very high	93.1	Very high	78 Å²	78	31.9 Å²	31.9	36%	0.364	16%	0.158	S	C	.	.	I	π-helix	trans	-138.6	-28.9	-169.9	-58.3	-176.6	5.8	0	0	114.3	E446 R487 T601	E446-Q450 PolarHBondContact O-N 3.38Å; Q450-R487 PolarHBondContact O-NH2 3.06Å; Q450-T601 PolarHBondContact OE1-OG1 2.82Å; Q450-T601 VanDerWaalsContact OE1-OG1 3.06Å
451	G	82.6	Confident	93	Very high	40 Å²	40	31.7 Å²	31.7	41%	0.412	16%	0.156	S	C	.	.	I	π-helix	trans	-73.5	-29.2	-177	0	0	0	0	0	114.6	E446 Y447	E446-G451 PolarHBondContact O-N 2.83Å; Y447-G451 CarbonylContact O-C 3.52Å; Y447-G451 WeakPolarHBondContact O-CA 3.25Å; Y447-G451 PolarHBondContact O-N 3.48Å
452	C	83.3	Confident	92.8	Very high	15 Å²	15	32.8 Å²	32.8	10%	0.101	16%	0.161	C	C	.	.	S	Bend	trans	-82.6	157.2	180	-69	0	0	0	0	113.7	Y447 Q454 I456 R487	Y447-C452 WeakPolarHBondContact CE1-SG 3.31Å; Y447-C452 PolarHBondContact O-N 2.75Å; Y447-C452 VanDerWaalsContact O-N 3.08Å; C452-Q454 VanDerWaalsContact C-N 3.27Å; C452-Q454 WeakPolarHBondContact CB-O 3.2Å; C452-Q454 PolarHBondContact O-N 3.43Å; C452-I456 HydrophobicContact CB-CD1 4.36Å; C452-I456 HydrophobicContact CB-CG1 4.5Å; C452-R487 PolarHBondContact O-NE 2.96Å; C452-R487 PolarHBondContact O-NH2 3.12Å
453	N	82.7	Confident	92.6	Very high	155 Å²	155	32.8 Å²	32.8	83%	0.829	16%	0.161	S	C	*	.	S	Bend	trans	-58.5	-40	174.1	-72.9	-13.8	0	0	0	112.2
454	Q	86.4	Confident	92.3	Very high	83 Å²	83	32 Å²	32	39%	0.388	16%	0.162	S	C	.	.	S	Bend	trans	-109.5	144.4	169.9	-67.6	179.2	-52.6	0	0	108.1	C452 L484	C452-Q454 VanDerWaalsContact C-N 3.27Å; C452-Q454 WeakPolarHBondContact CB-O 3.2Å; C452-Q454 PolarHBondContact O-N 3.43Å; Q454-L484 HydrophobicContact CB-CD2 4.04Å
455	R	90.8	Very high	92.2	Very high	40 Å²	40	32.2 Å²	32.2	15%	0.151	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	135.1	174.5	179.6	173.3	-66	135.7	0.6	108.9	H449 L457 C485 R487	H449-R455 WeakPolarHBondContact O-CG 3.2Å; H449-R455 PolarHBondContact O-NE 2.89Å; R455-L457 HydrophobicContact CG-CD1 3.83Å; R455-C485 HydrophobicContact CB-CB 4.36Å; R455-C485 PolarHBondContact N-O 3.11Å; R455-C485 PolarHBondContact O-N 3.35Å; R455-R487 PolarHBondContact NH1-O 3.28Å
456	I	92.6	Very high	92.1	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.7	-178.4	-50.8	-174.4	0	0	0	108.4	I383 L448 H449 C452 F479 A482 K483 L484	I383-I456 HydrophobicContact CD1-CD1 3.38Å; I383-I456 HydrophobicContact CG1-CD1 3.98Å; L448-I456 HydrophobicContact CB-CB 4.19Å; L448-I456 HydrophobicContact CD2-CB 4.05Å; L448-I456 HydrophobicContact CD2-CD1 4.11Å; L448-I456 HydrophobicContact CD2-CG2 4.15Å; L448-I456 PolarHBondContact O-N 2.96Å; H449-I456 PolarHBondContact CD2-O 2.93Å; C452-I456 HydrophobicContact CB-CD1 4.36Å; C452-I456 HydrophobicContact CB-CG1 4.5Å; I456-F479 HydrophobicContact CG2-CD1 4.47Å; I456-F479 HydrophobicContact CG2-CE1 4.39Å; I456-A482 HydrophobicContact CG2-CB 4.38Å; I456-K483 WeakPolarHBondContact CA-O 3.47Å; I456-L484 HydrophobicContact CD1-CD2 4.11Å; I456-L484 HydrophobicContact CG1-CD2 3.82Å
457	L	92.9	Very high	92.1	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.3	171.6	-76.3	65.1	0	0	0	107.7	R455 F459 A482 K483 C485 V492 S517 D521	R455-L457 HydrophobicContact CG-CD1 3.83Å; L457-F459 HydrophobicContact CB-CD2 4.07Å; L457-F459 HydrophobicContact CB-CE1 4.24Å; L457-F459 HydrophobicContact CB-CE2 3.67Å; L457-F459 HydrophobicContact CB-CZ 3.78Å; L457-F459 HydrophobicContact CD2-CE1 3.8Å; L457-F459 HydrophobicContact CD2-CE2 3.99Å; L457-F459 HydrophobicContact CD2-CZ 3.3Å; L457-F459 HydrophobicContact CG-CZ 4.18Å; L457-A482 CarbonylContact O-C 3.53Å; L457-A482 WeakPolarHBondContact O-CA 3.46Å; L457-A482 WeakPolarHBondContact O-CB 3.5Å; L457-K483 PolarHBondContact N-O 2.92Å; L457-K483 PolarHBondContact O-N 2.82Å; L457-C485 HydrophobicContact CD1-CB 4.44Å; L457-V492 HydrophobicContact CD2-CB 4.48Å; L457-V492 HydrophobicContact CD2-CG2 3.75Å; L457-S517 VanDerWaalsContact CD2-C 3.5Å; L457-D521 WeakPolarHBondContact CA-OD2 3.28Å
458	H	94.1	Very high	92.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.			trans	-84.8	-42.4	-175.4	-168.5	-82.8	0	0	0	112.4	D460 I461 S477 D478 F479 D521	H458-D460 PolarHBondContact CE1-O 3.14Å; H458-D460 VanDerWaalsContact ND1-C 3.29Å; H458-D460 PolarHBondContact ND1-N 3.48Å; H458-D460 PolarHBondContact O-N 2.93Å; H458-I461 HydrophobicContact CB-CD1 3.81Å; H458-I461 HydrophobicContact CB-CG1 3.97Å; H458-I461 PolarHBondContact ND1-N 3.05Å; H458-S477 PolarHBondContact CE1-O 2.99Å; H458-S477 VanDerWaalsContact CE1-O 3.31Å; H458-S477 PolarHBondContact NE2-O 3.31Å; H458-D478 PolarHBondContact CE1-O 2.03Å; H458-D478 PolarHBondContact NE2-O 3.06Å; H458-F479 AromaticContact CD2-CD1 3.93Å; H458-F479 AromaticContact CD2-CE1 3.79Å; H458-F479 AromaticContact CD2-CZ 3.87Å; H458-F479 AromaticContact NE2-CD2 3.92Å; H458-F479 AromaticContact NE2-CE2 3.99Å; H458-D521 PolarHBondContact N-OD1 3.46Å; H458-D521 PolarHBondContact N-OD2 2.82Å
459	F	93.3	Very high	92	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.018	16%	0.157	C	C	.	.	S	Bend	trans	61.2	-5.3	-177.5	-64.1	-55.5	0	0	0	117.6	L457 K483 M494 G499 L508 I516 D521	L457-F459 HydrophobicContact CB-CD2 4.07Å; L457-F459 HydrophobicContact CB-CE1 4.24Å; L457-F459 HydrophobicContact CB-CE2 3.67Å; L457-F459 HydrophobicContact CB-CZ 3.78Å; L457-F459 HydrophobicContact CD2-CE1 3.8Å; L457-F459 HydrophobicContact CD2-CE2 3.99Å; L457-F459 HydrophobicContact CD2-CZ 3.3Å; L457-F459 HydrophobicContact CG-CZ 4.18Å; F459-K483 HydrophobicContact CE2-CB 3.98Å; F459-M494 HydrophobicContact CD2-SD 4.31Å; F459-M494 HydrophobicContact CE2-SD 3.74Å; F459-M494 HydrophobicContact CZ-SD 4.01Å; F459-G499 VanDerWaalsContact O-CA 3.23Å; F459-G499 WeakPolarHBondContact O-CA 3.4Å; F459-L508 HydrophobicContact CD1-CD1 4.31Å; F459-L508 HydrophobicContact CD1-CD2 4.19Å; F459-L508 HydrophobicContact CE1-CD2 4.01Å; F459-I516 HydrophobicContact CE1-CG2 3.93Å; F459-I516 HydrophobicContact CZ-CG2 4.02Å; F459-D521 WeakPolarHBondContact CA-OD1 3.39Å; F459-D521 PolarHBondContact N-OD1 2.98Å
460	D	93.1	Very high	91.8	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.011	19%	0.186	C	C	.	.			trans	-133.2	42.5	176.5	-153.8	34.7	0	0	0	113.7	H458 K462 N465 L481 T500	H458-D460 PolarHBondContact CE1-O 3.14Å; H458-D460 VanDerWaalsContact ND1-C 3.29Å; H458-D460 PolarHBondContact ND1-N 3.48Å; H458-D460 PolarHBondContact O-N 2.93Å; D460-K462 PolarHBondContact O-N 3.36Å; D460-K462 IonicContact OD1-NZ 3.23Å; D460-K462 PolarHBondContact OD1-NZ 3.04Å; D460-K462 IonicContact OD2-NZ 2.88Å; D460-K462 PolarHBondContact OD2-NZ 2.95Å; D460-N465 PolarHBondContact O-ND2 3.45Å; D460-N465 PolarHBondContact OD2-ND2 3.06Å; D460-L481 HydrophobicContact CB-CD1 4.12Å; D460-T500 WeakPolarHBondContact OD1-CB 3.45Å; D460-T500 PolarHBondContact OD1-N 3.2Å; D460-T500 PolarHBondContact OD1-OG1 2.82Å
461	I	97.2	Very high	91.8	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.199	C	C	.	.			trans	-71.9	115.6	173.6	-60.8	-63.7	0	0	0	108.9	M445 H458 I476 S524 L528	M445-I461 HydrophobicContact CE-CG1 4.44Å; M445-I461 HydrophobicContact CG-CD1 4.46Å; M445-I461 HydrophobicContact SD-CD1 4.4Å; M445-I461 HydrophobicContact SD-CG1 4.29Å; M445-I461 HydrophobicContact SD-CG2 4.4Å; H458-I461 HydrophobicContact CB-CD1 3.81Å; H458-I461 HydrophobicContact CB-CG1 3.97Å; H458-I461 PolarHBondContact ND1-N 3.05Å; I461-I476 HydrophobicContact CD1-CD1 4.49Å; I461-I476 HydrophobicContact CD1-CG2 3.74Å; I461-S524 WeakPolarHBondContact O-CB 3.4Å; I461-L528 HydrophobicContact CG2-CD1 4Å
462	K	94.8	Very high	92.2	Very high	23 Å²	23	40 Å²	40	10%	0.1	19%	0.191	C	C	.	.	S	Bend	trans	-158.9	159.4	179.2	68.7	-163.5	-172.9	-154.3	0	110.1	D460 H464 N465 I466 T500 Y503	D460-K462 PolarHBondContact O-N 3.36Å; D460-K462 IonicContact OD1-NZ 3.23Å; D460-K462 PolarHBondContact OD1-NZ 3.04Å; D460-K462 IonicContact OD2-NZ 2.88Å; D460-K462 PolarHBondContact OD2-NZ 2.95Å; K462-H464 HydrophobicContact CD-CB 4.46Å; K462-H464 HydrophobicContact CG-CB 4.1Å; K462-H464 PolarHBondContact O-N 3.41Å; K462-H464 VanDerWaalsContact O-N 3.12Å; K462-N465 WeakPolarHBondContact CE-ND2 3.5Å; K462-N465 WeakPolarHBondContact CE-OD1 3.45Å; K462-N465 HydrophobicContact CG-CB 4.14Å; K462-N465 PolarHBondContact O-N 3.43Å; K462-I466 PolarHBondContact O-N 3.12Å; K462-T500 HydrophobicContact CD-CG2 3.96Å; K462-T500 VanDerWaalsContact CD-OG1 3.3Å; K462-T500 WeakPolarHBondContact CD-OG1 3.48Å; K462-T500 PolarHBondContact NZ-OG1 3.37Å; K462-Y503 HydrophobicContact CB-CD1 4.18Å; K462-Y503 HydrophobicContact CB-CD2 3.74Å; K462-Y503 HydrophobicContact CB-CE1 4.18Å; K462-Y503 HydrophobicContact CB-CE2 3.72Å; K462-Y503 HydrophobicContact CB-CG 3.97Å
463	P	93.9	Very high	92.8	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-52.3	-36.1	-178.6	-27.1	33.6	0	0	0	114.6	L413 E414 I417 N465 I466 Y503 L528 E531	L413-P463 PolarHBondContact N-O 3.29Å; E414-P463 HydrophobicContact CB-CB 3.94Å; E414-P463 PolarHBondContact N-O 3.15Å; I417-P463 HydrophobicContact CD1-CB 3.45Å; I417-P463 VanDerWaalsContact CD1-CB 3.45Å; I417-P463 HydrophobicContact CD1-CG 3.35Å; I417-P463 HydrophobicContact CG1-CB 4.44Å; P463-N465 VanDerWaalsContact C-N 3.26Å; P463-N465 PolarHBondContact O-N 3.14Å; P463-I466 PolarHBondContact O-N 3.48Å; P463-Y503 VanDerWaalsContact CD-CZ 3.45Å; P463-Y503 WeakPolarHBondContact CD-OH 3.45Å; P463-Y503 HydrophobicContact CG-CE1 4.35Å; P463-L528 HydrophobicContact CG-CG 4.16Å; P463-E531 WeakPolarHBondContact CG-OE2 3.4Å
464	H	92.3	Very high	93.5	Very high	99 Å²	99	34.3 Å²	34.3	46%	0.458	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-60.9	-34.5	177.5	-170	81.9	0	0	0	113.3	S412 E414 K462	S412-H464 VanDerWaalsContact CB-O 3.24Å; S412-H464 WeakPolarHBondContact CB-O 3.42Å; E414-H464 IonicContact OE2-CG 2.84Å; E414-H464 IonicContact OE2-ND1 3.37Å; E414-H464 PolarHBondContact OE2-ND1 3.09Å; K462-H464 HydrophobicContact CD-CB 4.46Å; K462-H464 HydrophobicContact CG-CB 4.1Å; K462-H464 PolarHBondContact O-N 3.41Å; K462-H464 VanDerWaalsContact O-N 3.12Å
465	N	94.9	Very high	94.1	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-93	1.5	-175.6	-70.7	-3.9	0	0	0	112.8	D460 K462 P463 S477 D478	D460-N465 PolarHBondContact O-ND2 3.45Å; D460-N465 PolarHBondContact OD2-ND2 3.06Å; K462-N465 WeakPolarHBondContact CE-ND2 3.5Å; K462-N465 WeakPolarHBondContact CE-OD1 3.45Å; K462-N465 HydrophobicContact CG-CB 4.14Å; K462-N465 PolarHBondContact O-N 3.43Å; P463-N465 VanDerWaalsContact C-N 3.26Å; P463-N465 PolarHBondContact O-N 3.14Å; N465-S477 WeakPolarHBondContact O-CB 2.96Å; N465-S477 PolarHBondContact O-N 2.86Å; N465-S477 PolarHBondContact O-OG 3.27Å; N465-D478 HydrophobicContact CB-CB 4.4Å
466	I	97.5	Very high	94.5	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	107.3	170.9	-54.5	-50.9	0	0	0	108.2	S412 L413 I441 K462 P463 P474 I476 L528	S412-I466 CarbonylContact C-O 3.57Å; S412-I466 VanDerWaalsContact CA-O 3.28Å; S412-I466 WeakPolarHBondContact CA-O 3.49Å; L413-I466 HydrophobicContact CB-CB 3.9Å; L413-I466 HydrophobicContact CB-CG2 4.13Å; L413-I466 HydrophobicContact CD2-CB 4.27Å; L413-I466 HydrophobicContact CD2-CG2 4.26Å; L413-I466 PolarHBondContact N-O 3.02Å; I441-I466 HydrophobicContact CD1-CD1 4.28Å; I441-I466 HydrophobicContact CD1-CG1 3.97Å; I441-I466 HydrophobicContact CD1-CG2 3.98Å; I441-I466 HydrophobicContact CG1-CD1 4.15Å; I441-I466 HydrophobicContact CG1-CG1 4.32Å; I441-I466 HydrophobicContact CG1-CG2 4.03Å; I441-I466 HydrophobicContact CG2-CD1 4.31Å; K462-I466 PolarHBondContact O-N 3.12Å; P463-I466 PolarHBondContact O-N 3.48Å; I466-P474 HydrophobicContact CG2-CB 3.69Å; I466-I476 HydrophobicContact CD1-CB 4.43Å; I466-I476 HydrophobicContact CD1-CG1 3.92Å; I466-L528 HydrophobicContact CD1-CD1 4.37Å; I466-L528 HydrophobicContact CG1-CD1 3.71Å
467	L	97.1	Very high	94.6	Very high	43 Å²	43	29.8 Å²	29.8	23%	0.225	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	153.9	177.2	-57.8	177.5	0	0	0	111.2	I389 M408 E411 P474 K475	I389-L467 HydrophobicContact CD1-CD1 4.15Å; M408-L467 HydrophobicContact CB-CB 3.79Å; M408-L467 HydrophobicContact CB-CD1 4.19Å; M408-L467 HydrophobicContact CB-CG 4.49Å; M408-L467 HydrophobicContact CG-CB 3.58Å; M408-L467 HydrophobicContact CG-CD1 3.86Å; M408-L467 HydrophobicContact CG-CG 4.36Å; E411-L467 CarbonylContact O-C 3.48Å; E411-L467 WeakPolarHBondContact O-CA 3.04Å; L467-P474 CarbonylContact O-C 3.56Å; L467-P474 WeakPolarHBondContact O-CA 3.38Å; L467-K475 PolarHBondContact N-O 2.91Å; L467-K475 PolarHBondContact O-N 3.31Å
468	L	96.1	Very high	94.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.5	-176.2	-61.3	174.2	0	0	0	111.3	N410 E411 Y416 I437 F472 P474	N410-L468 HydrophobicContact CB-CB 3.66Å; N410-L468 PolarHBondContact N-O 2.74Å; E411-L468 PolarHBondContact O-N 2.66Å; Y416-L468 HydrophobicContact CD2-CD1 3.68Å; Y416-L468 HydrophobicContact CE2-CD1 3.6Å; I437-L468 HydrophobicContact CD1-CD2 4.35Å; I437-L468 HydrophobicContact CG1-CD2 4.44Å; L468-F472 HydrophobicContact CD1-CD1 3.88Å; L468-F472 HydrophobicContact CD1-CE1 4.08Å; L468-P474 HydrophobicContact CD2-CB 4.39Å
469	D	93.1	Very high	94.2	Very high	30 Å²	30	30.6 Å²	30.6	16%	0.16	15%	0.149	C	C	.	.			trans	-77.5	-178.1	174.9	79.8	2.9	0	0	0	112.4	M408 N410 N471 F472 S473	M408-D469 HydrophobicContact SD-CB 3.95Å; N410-D469 PolarHBondContact ND2-O 2.67Å; D469-N471 PolarHBondContact O-N 3.28Å; D469-N471 VanDerWaalsContact O-N 3.11Å; D469-N471 WeakPolarHBondContact OD1-CA 3.33Å; D469-N471 PolarHBondContact OD1-N 3.37Å; D469-F472 PolarHBondContact O-N 3.26Å; D469-F472 PolarHBondContact OD1-N 3.19Å; D469-S473 PolarHBondContact N-O 3.34Å; D469-S473 VanDerWaalsContact N-O 3.11Å; D469-S473 WeakPolarHBondContact OD1-CB 3.5Å; D469-S473 PolarHBondContact OD1-N 2.98Å; D469-S473 WeakPolarHBondContact OD2-CB 3.36Å
470	Y	89.5	Confident	93.8	Very high	158 Å²	158	30.5 Å²	30.5	62%	0.62	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-28.6	179.2	-70.2	-81	0	0	0	114.4	P409	P409-Y470 HydrophobicContact CB-CD1 4.11Å; P409-Y470 HydrophobicContact CB-CE1 3.77Å; P409-Y470 HydrophobicContact CG-CD1 3.56Å; P409-Y470 HydrophobicContact CG-CD2 3.88Å; P409-Y470 HydrophobicContact CG-CE1 3.63Å; P409-Y470 HydrophobicContact CG-CE2 3.94Å; P409-Y470 HydrophobicContact CG-CG 3.68Å
471	N	90.1	Very high	93.3	Very high	120 Å²	120	31.6 Å²	31.6	64%	0.642	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	9.9	-178.4	-63.8	-33.8	0	0	0	112.5	D469 S473	D469-N471 PolarHBondContact O-N 3.28Å; D469-N471 VanDerWaalsContact O-N 3.11Å; D469-N471 WeakPolarHBondContact OD1-CA 3.33Å; D469-N471 PolarHBondContact OD1-N 3.37Å; N471-S473 PolarHBondContact O-N 3.3Å
472	F	91.6	Very high	93	Very high	57 Å²	57	31.7 Å²	31.7	25%	0.25	16%	0.156	C	C	.	.			trans	61.2	25.7	-171.4	-85.1	-106	0	0	0	113.2	N410 Y416 L468 D469	N410-F472 HydrophobicContact CB-CE2 4.27Å; N410-F472 HydrophobicContact CB-CZ 4.24Å; N410-F472 VanDerWaalsContact CG-CE2 3.49Å; N410-F472 WeakPolarHBondContact ND2-CD2 3.02Å; N410-F472 VanDerWaalsContact ND2-CE2 3.32Å; N410-F472 WeakPolarHBondContact ND2-CE2 3.45Å; Y416-F472 HydrophobicContact CD1-CE1 4.04Å; Y416-F472 AromaticContact CE1-CE1 3.67Å; Y416-F472 HydrophobicContact CE1-CE1 3.67Å; Y416-F472 AromaticContact CE1-CZ 3.82Å; Y416-F472 HydrophobicContact CE1-CZ 3.82Å; Y416-F472 HydrophobicContact CE2-CE1 4.28Å; Y416-F472 HydrophobicContact CG-CE1 4.47Å; Y416-F472 AromaticContact CZ-CE1 3.8Å; Y416-F472 AromaticContact CZ-CZ 3.96Å; L468-F472 HydrophobicContact CD1-CD1 3.88Å; L468-F472 HydrophobicContact CD1-CE1 4.08Å; D469-F472 PolarHBondContact O-N 3.26Å; D469-F472 PolarHBondContact OD1-N 3.19Å
473	S	95.2	Very high	92.7	Very high	45 Å²	45	33.3 Å²	33.3	32%	0.315	16%	0.163	S	C	.	.			trans	-79.9	136.1	172.2	-56.6	0	0	0	0	109.9	D469 N471	D469-S473 PolarHBondContact N-O 3.34Å; D469-S473 VanDerWaalsContact N-O 3.11Å; D469-S473 WeakPolarHBondContact OD1-CB 3.5Å; D469-S473 PolarHBondContact OD1-N 2.98Å; D469-S473 WeakPolarHBondContact OD2-CB 3.36Å; N471-S473 PolarHBondContact O-N 3.3Å
474	P	98	Very high	92.4	Very high	4 Å²	4	36 Å²	36	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	141.6	-176.6	33.9	-38.8	0	0	0	112	N387 I437 I441 I466 L467 L468	N387-P474 VanDerWaalsContact CA-O 3.22Å; N387-P474 WeakPolarHBondContact CA-O 3.26Å; N387-P474 WeakPolarHBondContact CB-O 3.48Å; N387-P474 PolarHBondContact ND2-O 2.9Å; I437-P474 HydrophobicContact CG2-CB 4.27Å; I437-P474 WeakPolarHBondContact O-CG 3.18Å; I441-P474 HydrophobicContact CG1-CB 3.85Å; I441-P474 HydrophobicContact CG1-CG 4.18Å; I466-P474 HydrophobicContact CG2-CB 3.69Å; L467-P474 CarbonylContact O-C 3.56Å; L467-P474 WeakPolarHBondContact O-CA 3.38Å; L468-P474 HydrophobicContact CD2-CB 4.39Å
475	K	98.2	Very high	92	Very high	20 Å²	20	31.6 Å²	31.6	9%	0.087	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	117.1	172.3	-78.7	166.2	173.6	-82.6	0	109.9	A386 N387 I389 E406 M408 L467 S477	A386-K475 WeakPolarHBondContact O-CG 3.26Å; A386-K475 PolarHBondContact O-NZ 2.81Å; N387-K475 WeakPolarHBondContact O-CA 3.1Å; I389-K475 HydrophobicContact CB-CB 4.49Å; I389-K475 HydrophobicContact CD1-CB 4.44Å; I389-K475 HydrophobicContact CD1-CD 4.3Å; E406-K475 IonicContact OE1-NZ 3.94Å; E406-K475 PolarHBondContact OE1-NZ 3.42Å; E406-K475 IonicContact OE2-NZ 2.79Å; E406-K475 PolarHBondContact OE2-NZ 2.75Å; M408-K475 HydrophobicContact CE-CD 3.71Å; M408-K475 HydrophobicContact SD-CD 3.51Å; M408-K475 VanDerWaalsContact SD-CD 3.51Å; L467-K475 PolarHBondContact N-O 2.91Å; L467-K475 PolarHBondContact O-N 3.31Å; K475-S477 PolarHBondContact O-N 3.48Å
476	I	98.3	Very high	91.4	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	132.7	174.4	-57.8	167.5	0	0	0	108.6	N387 I389 I441 M445 L448 I461 I466 F479	N387-I476 PolarHBondContact O-N 2.97Å; I389-I476 WeakPolarHBondContact CB-O 3.48Å; I389-I476 WeakPolarHBondContact CG2-O 3.21Å; I389-I476 PolarHBondContact N-O 3.3Å; I441-I476 HydrophobicContact CG2-CD1 4.34Å; I441-I476 HydrophobicContact CG2-CG1 4.42Å; M445-I476 HydrophobicContact CG-CD1 3.67Å; L448-I476 HydrophobicContact CD1-CD1 4.49Å; I461-I476 HydrophobicContact CD1-CD1 4.49Å; I461-I476 HydrophobicContact CD1-CG2 3.74Å; I466-I476 HydrophobicContact CD1-CB 4.43Å; I466-I476 HydrophobicContact CD1-CG1 3.92Å; I476-F479 HydrophobicContact CG2-CE2 4.23Å; I476-F479 HydrophobicContact CG2-CZ 4.23Å
477	S	95	Very high	90.4	Very high	13 Å²	13	40.2 Å²	40.2	9%	0.091	20%	0.196	C	C	.	.			trans	-135.4	173.7	-178.3	72.2	0	0	0	0	111.8	H458 N465 K475	H458-S477 PolarHBondContact CE1-O 2.99Å; H458-S477 VanDerWaalsContact CE1-O 3.31Å; H458-S477 PolarHBondContact NE2-O 3.31Å; N465-S477 WeakPolarHBondContact O-CB 2.96Å; N465-S477 PolarHBondContact O-N 2.86Å; N465-S477 PolarHBondContact O-OG 3.27Å; K475-S477 PolarHBondContact O-N 3.48Å
478	D	89.6	Confident	89.4	Confident	18 Å²	18	44.9 Å²	44.9	10%	0.096	22%	0.221	C	C	.	.			trans	66.1	72.9	178.4	-155.7	10.3	0	0	0	115	F344 K361 H458 N465 G480	F344-D478 VanDerWaalsContact CD2-OD2 3.3Å; F344-D478 WeakPolarHBondContact CD2-OD2 3.37Å; F344-D478 WeakPolarHBondContact CE2-OD2 3.44Å; K361-D478 IonicContact NZ-OD1 3.47Å; K361-D478 PolarHBondContact NZ-OD1 2.81Å; H458-D478 PolarHBondContact CE1-O 2.03Å; H458-D478 PolarHBondContact NE2-O 3.06Å; N465-D478 HydrophobicContact CB-CB 4.4Å; D478-G480 PolarHBondContact O-N 3.21Å
479	F	90.3	Very high	88.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-88.2	17	-178.8	-74.7	-108.8	0	0	0	112.9	E376 I380 I383 I388 L448 I456 H458 I476 L481 A482	E376-F479 HydrophobicContact CG-CB 4.11Å; I380-F479 HydrophobicContact CB-CB 4.31Å; I380-F479 HydrophobicContact CB-CD1 4.49Å; I380-F479 HydrophobicContact CB-CD2 4.18Å; I380-F479 HydrophobicContact CB-CG 4.08Å; I380-F479 HydrophobicContact CD1-CD2 3.35Å; I380-F479 HydrophobicContact CD1-CE2 3.44Å; I380-F479 VanDerWaalsContact CD1-CE2 3.44Å; I380-F479 HydrophobicContact CD1-CG 4.13Å; I380-F479 HydrophobicContact CD1-CZ 4.29Å; I380-F479 HydrophobicContact CG1-CD2 3.95Å; I380-F479 HydrophobicContact CG1-CE2 3.99Å; I380-F479 HydrophobicContact CG1-CG 4.3Å; I380-F479 HydrophobicContact CG1-CZ 4.4Å; I383-F479 HydrophobicContact CD1-CE1 4.06Å; I388-F479 HydrophobicContact CG2-CE2 3.78Å; I388-F479 HydrophobicContact CG2-CZ 3.59Å; L448-F479 HydrophobicContact CD1-CE1 3.91Å; L448-F479 HydrophobicContact CD1-CZ 4.03Å; L448-F479 HydrophobicContact CD2-CE1 3.76Å; L448-F479 HydrophobicContact CD2-CZ 4.13Å; I456-F479 HydrophobicContact CG2-CD1 4.47Å; I456-F479 HydrophobicContact CG2-CE1 4.39Å; H458-F479 AromaticContact CD2-CD1 3.93Å; H458-F479 AromaticContact CD2-CE1 3.79Å; H458-F479 AromaticContact CD2-CZ 3.87Å; H458-F479 AromaticContact NE2-CD2 3.92Å; H458-F479 AromaticContact NE2-CE2 3.99Å; I476-F479 HydrophobicContact CG2-CE2 4.23Å; I476-F479 HydrophobicContact CG2-CZ 4.23Å; F479-L481 PolarHBondContact O-N 2.95Å; F479-A482 HydrophobicContact CB-CB 4.01Å; F479-A482 HydrophobicContact CD1-CB 3.92Å; F479-A482 HydrophobicContact CG-CB 4.43Å; F479-A482 WeakPolarHBondContact O-CB 3.23Å; F479-A482 PolarHBondContact O-N 2.99Å
480	G	83.6	Confident	87.2	Confident	2 Å²	2	51.5 Å²	51.5	2%	0.021	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-59.4	-29.9	-177.4	0	0	0	0	0	113.7	D478	D478-G480 PolarHBondContact O-N 3.21Å
481	L	84.1	Confident	86.7	Confident	25 Å²	25	47.6 Å²	47.6	13%	0.131	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-97.1	-0.1	178.2	-61.9	-176	0	0	0	114.1	D460 F479 R498	D460-L481 HydrophobicContact CB-CD1 4.12Å; F479-L481 PolarHBondContact O-N 2.95Å; L481-R498 HydrophobicContact CD1-CB 4.3Å; L481-R498 HydrophobicContact CD2-CG 4.36Å
482	A	90.1	Very high	86.2	Confident	2 Å²	2	42.2 Å²	42.2	2%	0.017	22%	0.218	C	C	.	.			trans	-64.2	158.7	-170.9	0	0	0	0	0	112.5	T375 T379 I456 L457 F479	T375-A482 HydrophobicContact CG2-CB 4.39Å; T375-A482 WeakPolarHBondContact CG2-O 3.19Å; T379-A482 HydrophobicContact CG2-CB 4.16Å; I456-A482 HydrophobicContact CG2-CB 4.38Å; L457-A482 CarbonylContact O-C 3.53Å; L457-A482 WeakPolarHBondContact O-CA 3.46Å; L457-A482 WeakPolarHBondContact O-CB 3.5Å; F479-A482 HydrophobicContact CB-CB 4.01Å; F479-A482 HydrophobicContact CD1-CB 3.92Å; F479-A482 HydrophobicContact CG-CB 4.43Å; F479-A482 WeakPolarHBondContact O-CB 3.23Å; F479-A482 PolarHBondContact O-N 2.99Å
483	K	88.7	Confident	85.3	Confident	58 Å²	58	44.8 Å²	44.8	25%	0.252	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	130.4	177	-173.8	161.7	172.3	170	0	112	I456 L457 F459 V492 T493 M494	I456-K483 WeakPolarHBondContact CA-O 3.47Å; L457-K483 PolarHBondContact N-O 2.92Å; L457-K483 PolarHBondContact O-N 2.82Å; F459-K483 HydrophobicContact CE2-CB 3.98Å; K483-V492 HydrophobicContact CD-CG1 3.62Å; K483-T493 PolarHBondContact NZ-O 2.9Å; K483-M494 HydrophobicContact CD-CE 3.89Å
484	L	87.2	Confident	84.2	Confident	58 Å²	58	44.1 Å²	44.1	30%	0.304	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	128.1	170.6	-66.7	165.6	0	0	0	109.6	T379 Q454 I456	T379-L484 HydrophobicContact CG2-CD1 4.06Å; T379-L484 HydrophobicContact CG2-CD2 4.05Å; T379-L484 HydrophobicContact CG2-CG 3.7Å; Q454-L484 HydrophobicContact CB-CD2 4.04Å; I456-L484 HydrophobicContact CD1-CD2 4.11Å; I456-L484 HydrophobicContact CG1-CD2 3.82Å
485	C	84.7	Confident	82.7	Confident	5 Å²	5	50.4 Å²	50.4	3%	0.034	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.5	177.6	-58	0	0	0	0	109.7	R455 L457 V492	R455-C485 HydrophobicContact CB-CB 4.36Å; R455-C485 PolarHBondContact N-O 3.11Å; R455-C485 PolarHBondContact O-N 3.35Å; L457-C485 HydrophobicContact CD1-CB 4.44Å; C485-V492 WeakPolarHBondContact SG-CG2 3.39Å
486	P	82	Confident	81.3	Confident	52 Å²	52	57.1 Å²	57.1	34%	0.338	30%	0.299	S	S	.	.			trans	-53.6	144.5	165.4	-23.7	35	0	0	0	110.6	D488 Q489	P486-D488 VanDerWaalsContact C-N 3.28Å; P486-D488 WeakPolarHBondContact CB-OD1 3.44Å; P486-D488 PolarHBondContact O-N 3.44Å; P486-Q489 HydrophobicContact CB-CB 4.22Å; P486-Q489 HydrophobicContact CB-CG 4.22Å; P486-Q489 HydrophobicContact CG-CB 4.48Å; P486-Q489 HydrophobicContact CG-CG 4.4Å; P486-Q489 PolarHBondContact O-N 2.95Å; P486-Q489 VanDerWaalsContact O-O 3.07Å
487	R	76.5	Confident	79.9	Confident	134 Å²	134	60.9 Å²	60.9	51%	0.506	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-35.4	-175.8	-94.6	-175.2	167.2	-167.8	-0.5	112.8	Q450 C452 R455 Q489	Q450-R487 PolarHBondContact O-NH2 3.06Å; C452-R487 PolarHBondContact O-NE 2.96Å; C452-R487 PolarHBondContact O-NH2 3.12Å; R455-R487 PolarHBondContact NH1-O 3.28Å; R487-Q489 VanDerWaalsContact C-N 3.31Å
488	D	74.7	Confident	79	Confident	140 Å²	140	63.4 Å²	63.4	75%	0.749	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-20	177.8	59	-36.8	0	0	0	113	P486	P486-D488 VanDerWaalsContact C-N 3.28Å; P486-D488 WeakPolarHBondContact CB-OD1 3.44Å; P486-D488 PolarHBondContact O-N 3.44Å
489	Q	71.2	Confident	78.6	Confident	111 Å²	111	63.8 Å²	63.8	52%	0.519	35%	0.345	S	S	.	.			trans	-96.7	104.4	173.3	-66.3	-175.5	-11.4	0	0	110.5	P486 R487	P486-Q489 HydrophobicContact CB-CB 4.22Å; P486-Q489 HydrophobicContact CB-CG 4.22Å; P486-Q489 HydrophobicContact CG-CB 4.48Å; P486-Q489 HydrophobicContact CG-CG 4.4Å; P486-Q489 PolarHBondContact O-N 2.95Å; P486-Q489 VanDerWaalsContact O-O 3.07Å; R487-Q489 VanDerWaalsContact C-N 3.31Å
490	S	71.7	Confident	78.3	Confident	59 Å²	59	65.9 Å²	65.9	41%	0.413	36%	0.358	S	S	.	.			trans	-81.9	-28.4	174.2	55	0	0	0	0	113.2	S517	S490-S517 WeakPolarHBondContact O-CA 3.29Å; S490-S517 WeakPolarHBondContact O-CB 3.43Å
491	I	79.4	Confident	78.3	Confident	76 Å²	76	72 Å²	72	39%	0.39	39%	0.387	S	S	.	.			trans	-98.1	131.8	-173	-62.7	152.6	0	0	0	109.5	E515 I516	I491-E515 VanDerWaalsContact CD1-CD 3.47Å; I491-E515 WeakPolarHBondContact CD1-OE1 3.35Å; I491-E515 WeakPolarHBondContact CD1-OE2 3.43Å; I491-E515 HydrophobicContact CG1-CB 4.07Å; I491-E515 HydrophobicContact CG2-CB 4.1Å; I491-I516 WeakPolarHBondContact CA-O 3.24Å
492	V	79.6	Confident	78.4	Confident	6 Å²	6	72 Å²	72	4%	0.036	39%	0.393	C	S	.	.			trans	-114.9	125.6	-174.5	-174.6	0	0	0	0	110.2	L457 K483 C485 M494 I516	L457-V492 HydrophobicContact CD2-CB 4.48Å; L457-V492 HydrophobicContact CD2-CG2 3.75Å; K483-V492 HydrophobicContact CD-CG1 3.62Å; C485-V492 WeakPolarHBondContact SG-CG2 3.39Å; V492-M494 HydrophobicContact CG1-CG 4.36Å; V492-I516 HydrophobicContact CB-CG2 4.37Å; V492-I516 PolarHBondContact N-O 2.9Å
493	T	74.1	Confident	78.6	Confident	111 Å²	111	73.1 Å²	73.1	68%	0.681	40%	0.397	S	S	*	.			trans	-81.8	134.5	167.1	48	0	0	0	0	109.7	K483	K483-T493 PolarHBondContact NZ-O 2.9Å
494	M	71.8	Confident	78.7	Confident	31 Å²	31	72.5 Å²	72.5	15%	0.153	40%	0.397	C	S	.	.			trans	-128.1	133.7	179.1	-70.5	-99	63	0	0	107.7	F459 K483 V492 I516	F459-M494 HydrophobicContact CD2-SD 4.31Å; F459-M494 HydrophobicContact CE2-SD 3.74Å; F459-M494 HydrophobicContact CZ-SD 4.01Å; K483-M494 HydrophobicContact CD-CE 3.89Å; V492-M494 HydrophobicContact CG1-CG 4.36Å; M494-I516 HydrophobicContact CB-CD1 4.22Å; M494-I516 HydrophobicContact CG-CD1 4.1Å
495	T	65.5	Low	78.9	Confident	136 Å²	136	69.8 Å²	69.8	83%	0.834	38%	0.382	S	S	*	.	S	Bend	trans	-89.8	-18.9	178.6	45.5	0	0	0	0	112.9
496	K	68.7	Low	79.2	Confident	162 Å²	162	69.6 Å²	69.6	70%	0.704	38%	0.381	S	S	*	.	S	Bend	trans	-139.5	145.9	178.3	-65.7	-178.7	-178.7	176.1	0	109.3
497	A	69.2	Low	79.6	Confident	79 Å²	79	67.1 Å²	67.1	65%	0.653	37%	0.365	S	S	*	.			trans	-63.2	139	168.1	0	0	0	0	0	109.5
498	R	76.2	Confident	80.2	Confident	67 Å²	67	61.6 Å²	61.6	25%	0.253	35%	0.345	S	S	.	.			trans	-135.4	149.5	-178.5	-69.7	-177.9	177.7	176.9	-2.5	109.2	L481	L481-R498 HydrophobicContact CD1-CB 4.3Å; L481-R498 HydrophobicContact CD2-CG 4.36Å
499	G	81.2	Confident	80.7	Confident	25 Å²	25	61.5 Å²	61.5	26%	0.258	34%	0.335	S	S	.	.	S	Bend	trans	117.6	174.6	177	0	0	0	0	0	113.4	F459	F459-G499 VanDerWaalsContact O-CA 3.23Å; F459-G499 WeakPolarHBondContact O-CA 3.4Å
500	T	84.9	Confident	81.4	Confident	45 Å²	45	57.7 Å²	57.7	28%	0.276	32%	0.321	S	S	.	.			trans	-101	131.5	-179.4	-59.6	0	0	0	0	111.1	D460 K462 G502 Y503 I504	D460-T500 WeakPolarHBondContact OD1-CB 3.45Å; D460-T500 PolarHBondContact OD1-N 3.2Å; D460-T500 PolarHBondContact OD1-OG1 2.82Å; K462-T500 HydrophobicContact CD-CG2 3.96Å; K462-T500 VanDerWaalsContact CD-OG1 3.3Å; K462-T500 WeakPolarHBondContact CD-OG1 3.48Å; K462-T500 PolarHBondContact NZ-OG1 3.37Å; T500-G502 PolarHBondContact O-N 2.84Å; T500-Y503 HydrophobicContact CG2-CD2 4.21Å; T500-Y503 HydrophobicContact CG2-CE2 4.43Å; T500-Y503 PolarHBondContact O-N 2.83Å; T500-I504 WeakPolarHBondContact O-CG1 3.41Å; T500-I504 PolarHBondContact O-N 2.76Å
501	M	83.5	Confident	81.9	Confident	129 Å²	129	60.6 Å²	60.6	64%	0.635	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	136	176.4	-174.8	174.2	173.3	0	0	111.1	W539	M501-W539 HydrophobicContact CE-CG 4.46Å
502	G	86.1	Confident	82.1	Confident	25 Å²	25	64.3 Å²	64.3	26%	0.258	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	96	-27.7	-171.6	0	0	0	0	0	114.1	T500 M527	T500-G502 PolarHBondContact O-N 2.84Å; G502-M527 WeakPolarHBondContact O-CE 3.33Å
503	Y	92.7	Very high	82.4	Confident	26 Å²	26	67.5 Å²	67.5	10%	0.102	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-6.2	-179.1	-48.5	-86.7	0	0	0	113.5	K462 P463 T500 A505 S524 M527 E531	K462-Y503 HydrophobicContact CB-CD1 4.18Å; K462-Y503 HydrophobicContact CB-CD2 3.74Å; K462-Y503 HydrophobicContact CB-CE1 4.18Å; K462-Y503 HydrophobicContact CB-CE2 3.72Å; K462-Y503 HydrophobicContact CB-CG 3.97Å; P463-Y503 VanDerWaalsContact CD-CZ 3.45Å; P463-Y503 WeakPolarHBondContact CD-OH 3.45Å; P463-Y503 HydrophobicContact CG-CE1 4.35Å; T500-Y503 HydrophobicContact CG2-CD2 4.21Å; T500-Y503 HydrophobicContact CG2-CE2 4.43Å; T500-Y503 PolarHBondContact O-N 2.83Å; Y503-A505 PolarHBondContact O-N 3.04Å; Y503-S524 WeakPolarHBondContact O-CB 3.07Å; Y503-S524 PolarHBondContact O-OG 3.11Å; Y503-M527 HydrophobicContact CD1-CB 3.86Å; Y503-M527 HydrophobicContact CE1-CB 4.45Å; Y503-E531 WeakPolarHBondContact CE1-OE2 3.44Å; Y503-E531 VanDerWaalsContact CZ-OE2 3.29Å; Y503-E531 PolarHBondContact OH-OE1 3.25Å; Y503-E531 PolarHBondContact OH-OE2 3.25Å
504	I	91.6	Very high	83	Confident	46 Å²	46	63.4 Å²	63.4	24%	0.236	34%	0.337	C	S	.	.			trans	-70.2	124.3	179.8	-64.9	164.1	0	0	0	109.6	T500 L508 Y509 Y523	T500-I504 WeakPolarHBondContact O-CG1 3.41Å; T500-I504 PolarHBondContact O-N 2.76Å; I504-L508 HydrophobicContact CG2-CB 3.71Å; I504-L508 HydrophobicContact CG2-CD1 3.97Å; I504-L508 HydrophobicContact CG2-CG 4.5Å; I504-Y509 HydrophobicContact CG2-CD1 3.92Å; I504-Y523 WeakPolarHBondContact O-CE1 3.07Å
505	A	91.9	Very high	83.8	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.35	C	S	.	.			trans	-66.4	143.8	174.9	0	0	0	0	0	111.9	Y503 E507 L508 Y523	Y503-A505 PolarHBondContact O-N 3.04Å; A505-E507 VanDerWaalsContact C-N 3.27Å; A505-E507 VanDerWaalsContact CB-CD 3.49Å; A505-E507 VanDerWaalsContact CB-OE1 3.27Å; A505-E507 WeakPolarHBondContact CB-OE1 3.49Å; A505-E507 WeakPolarHBondContact CB-OE2 3.36Å; A505-E507 PolarHBondContact O-N 3.4Å; A505-E507 VanDerWaalsContact O-N 3.14Å; A505-L508 HydrophobicContact CB-CD1 4.17Å; A505-L508 WeakPolarHBondContact O-CB 3.41Å; A505-L508 PolarHBondContact O-N 3.48Å; A505-Y523 HydrophobicContact CB-CD1 3.97Å; A505-Y523 HydrophobicContact CB-CG 3.85Å
506	P	90.1	Very high	85	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-51	-40.5	-177.5	-31	36.5	0	0	0	115.7	L508 Y509 S510 F513 Y523 W592	P506-L508 PolarHBondContact O-N 2.86Å; P506-Y509 VanDerWaalsContact CA-CE1 3.43Å; P506-Y509 HydrophobicContact CB-CE1 4.41Å; P506-Y509 PolarHBondContact O-N 3.46Å; P506-S510 PolarHBondContact O-N 3.29Å; P506-F513 HydrophobicContact CB-CB 3.83Å; P506-F513 HydrophobicContact CB-CD1 4.02Å; P506-F513 HydrophobicContact CB-CD2 3.71Å; P506-F513 HydrophobicContact CB-CE2 4.27Å; P506-F513 HydrophobicContact CB-CG 3.57Å; P506-Y523 HydrophobicContact CG-CE2 4.19Å; P506-W592 HydrophobicContact CB-CE3 3.59Å; P506-W592 HydrophobicContact CB-CZ3 3.65Å; P506-W592 HydrophobicContact CG-CD2 4.34Å; P506-W592 HydrophobicContact CG-CE3 3.3Å; P506-W592 HydrophobicContact CG-CH2 4.43Å; P506-W592 HydrophobicContact CG-CZ3 3.36Å
507	E	90.5	Very high	86.1	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-68.7	-14.5	-178.9	70.2	-81.8	-170	0	0	114.5	A505 S510 F513 I516 S520 P594 R597	A505-E507 VanDerWaalsContact C-N 3.27Å; A505-E507 VanDerWaalsContact CB-CD 3.49Å; A505-E507 VanDerWaalsContact CB-OE1 3.27Å; A505-E507 WeakPolarHBondContact CB-OE1 3.49Å; A505-E507 WeakPolarHBondContact CB-OE2 3.36Å; A505-E507 PolarHBondContact O-N 3.4Å; A505-E507 VanDerWaalsContact O-N 3.14Å; E507-S510 WeakPolarHBondContact CA-O 3.38Å; E507-F513 HydrophobicContact CB-CB 4.32Å; E507-I516 HydrophobicContact CG-CG1 4.17Å; E507-I516 WeakPolarHBondContact O-CG1 3.41Å; E507-S520 WeakPolarHBondContact OE1-CA 3.24Å; E507-S520 WeakPolarHBondContact OE1-CB 3.37Å; E507-S520 PolarHBondContact OE1-OG 2.96Å; E507-P594 HydrophobicContact CB-CG 4.19Å; E507-P594 HydrophobicContact CG-CG 3.9Å; E507-R597 VanDerWaalsContact CD-NH1 3.33Å; E507-R597 IonicContact OE1-CZ 3.41Å; E507-R597 IonicContact OE1-NH1 3.19Å; E507-R597 PolarHBondContact OE1-NH1 3.18Å; E507-R597 IonicContact OE1-NH2 2.74Å; E507-R597 IonicContact OE2-CZ 3.54Å; E507-R597 IonicContact OE2-NH1 2.81Å; E507-R597 PolarHBondContact OE2-NH1 3.18Å; E507-R597 IonicContact OE2-NH2 2.77Å; E507-R597 PolarHBondContact OE2-NH2 3.08Å
508	L	88.9	Confident	87.2	Confident	17 Å²	17	51.1 Å²	51.1	9%	0.089	26%	0.258	C	S	.	.	H	α-helix	trans	-76.4	-28.3	176.4	-79.2	163.5	0	0	0	112.5	F459 I504 A505 P506 I516	F459-L508 HydrophobicContact CD1-CD1 4.31Å; F459-L508 HydrophobicContact CD1-CD2 4.19Å; F459-L508 HydrophobicContact CE1-CD2 4.01Å; I504-L508 HydrophobicContact CG2-CB 3.71Å; I504-L508 HydrophobicContact CG2-CD1 3.97Å; I504-L508 HydrophobicContact CG2-CG 4.5Å; A505-L508 HydrophobicContact CB-CD1 4.17Å; A505-L508 WeakPolarHBondContact O-CB 3.41Å; A505-L508 PolarHBondContact O-N 3.48Å; P506-L508 PolarHBondContact O-N 2.86Å; L508-I516 HydrophobicContact CD2-CD1 4Å; L508-I516 HydrophobicContact CD2-CG1 4.28Å; L508-I516 HydrophobicContact CD2-CG2 3.96Å
509	Y	85.3	Confident	88.1	Confident	138 Å²	138	49 Å²	49	54%	0.541	25%	0.251	S	S	.	.	H	α-helix	trans	-107.3	-17.8	176.9	61.1	-101.9	0	0	0	113.5	I504 P506 F513	I504-Y509 HydrophobicContact CG2-CD1 3.92Å; P506-Y509 VanDerWaalsContact CA-CE1 3.43Å; P506-Y509 HydrophobicContact CB-CE1 4.41Å; P506-Y509 PolarHBondContact O-N 3.46Å; Y509-F513 HydrophobicContact CE2-CE2 4.08Å
510	S	85.6	Confident	88.8	Confident	31 Å²	31	47.9 Å²	47.9	22%	0.217	24%	0.239	C	C	.	.			trans	-144.5	120.5	172.9	173.6	0	0	0	0	112.6	P506 E507 N512 F513	P506-S510 PolarHBondContact O-N 3.29Å; E507-S510 WeakPolarHBondContact CA-O 3.38Å; S510-N512 PolarHBondContact O-N 3.4Å; S510-N512 VanDerWaalsContact O-N 3.12Å; S510-N512 PolarHBondContact OG-N 2.78Å; S510-F513 PolarHBondContact O-N 2.8Å
511	R	82.1	Confident	89.4	Confident	120 Å²	120	45.8 Å²	45.8	45%	0.453	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-63.8	-15.7	178.4	-65.2	-66.6	-176.1	172.2	-3.6	113.5	F513 G514 I516	R511-F513 PolarHBondContact O-N 3.49Å; R511-G514 PolarHBondContact O-N 3.15Å; R511-G514 VanDerWaalsContact O-N 3.1Å; R511-I516 VanDerWaalsContact CZ-CD1 3.41Å
512	N	85.5	Confident	90.1	Very high	155 Å²	155	39.6 Å²	39.6	83%	0.829	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-65.3	-22.4	177.1	-65.2	-8.6	0	0	0	112.5	S510 G514	S510-N512 PolarHBondContact O-N 3.4Å; S510-N512 VanDerWaalsContact O-N 3.12Å; S510-N512 PolarHBondContact OG-N 2.78Å; N512-G514 VanDerWaalsContact C-N 3.33Å
513	F	85.1	Confident	90.6	Very high	73 Å²	73	39 Å²	39	32%	0.32	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-82.7	-10.7	176.2	-65.7	-74.9	0	0	0	113.6	P506 E507 Y509 S510 R511 W592 P594	P506-F513 HydrophobicContact CB-CB 3.83Å; P506-F513 HydrophobicContact CB-CD1 4.02Å; P506-F513 HydrophobicContact CB-CD2 3.71Å; P506-F513 HydrophobicContact CB-CE2 4.27Å; P506-F513 HydrophobicContact CB-CG 3.57Å; E507-F513 HydrophobicContact CB-CB 4.32Å; Y509-F513 HydrophobicContact CE2-CE2 4.08Å; S510-F513 PolarHBondContact O-N 2.8Å; R511-F513 PolarHBondContact O-N 3.49Å; F513-W592 HydrophobicContact CD1-CD2 4.4Å; F513-W592 AromaticContact CD1-CE3 3.55Å; F513-W592 HydrophobicContact CD1-CE3 3.55Å; F513-W592 HydrophobicContact CD1-CZ3 4.18Å; F513-W592 HydrophobicContact CE1-CD2 4.18Å; F513-W592 AromaticContact CE1-CE3 3.35Å; F513-W592 HydrophobicContact CE1-CE3 3.35Å; F513-W592 AromaticContact CE1-CZ3 3.64Å; F513-W592 HydrophobicContact CE1-CZ3 3.64Å; F513-W592 HydrophobicContact CG-CE3 4.38Å; F513-W592 HydrophobicContact CZ-CE3 4.06Å; F513-W592 AromaticContact CZ-CZ3 3.86Å; F513-W592 HydrophobicContact CZ-CZ3 3.86Å; F513-P594 WeakPolarHBondContact O-CD 3.23Å
514	G	86.7	Confident	90.8	Very high	24 Å²	24	37.9 Å²	37.9	25%	0.247	18%	0.182	C	C	.	.			trans	131.9	-164.3	177.3	0	0	0	0	0	113.7	R511 N512	R511-G514 PolarHBondContact O-N 3.15Å; R511-G514 VanDerWaalsContact O-N 3.1Å; N512-G514 VanDerWaalsContact C-N 3.33Å
515	E	89	Confident	91.1	Very high	91 Å²	91	35.7 Å²	35.7	43%	0.425	17%	0.171	S	C	.	.			trans	-96.2	135.7	-174.7	-61.3	177.1	114.3	0	0	111.7	I491 S517 R595	I491-E515 VanDerWaalsContact CD1-CD 3.47Å; I491-E515 WeakPolarHBondContact CD1-OE1 3.35Å; I491-E515 WeakPolarHBondContact CD1-OE2 3.43Å; I491-E515 HydrophobicContact CG1-CB 4.07Å; I491-E515 HydrophobicContact CG2-CB 4.1Å; E515-S517 PolarHBondContact O-N 2.88Å; E515-R595 IonicContact OE2-NH2 2.75Å
516	I	89.6	Confident	91.4	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.015	17%	0.171	C	C	.	.			trans	-68.3	128.4	177.7	-58.1	168.5	0	0	0	109.1	F459 I491 V492 M494 E507 L508 R511	F459-I516 HydrophobicContact CE1-CG2 3.93Å; F459-I516 HydrophobicContact CZ-CG2 4.02Å; I491-I516 WeakPolarHBondContact CA-O 3.24Å; V492-I516 HydrophobicContact CB-CG2 4.37Å; V492-I516 PolarHBondContact N-O 2.9Å; M494-I516 HydrophobicContact CB-CD1 4.22Å; M494-I516 HydrophobicContact CG-CD1 4.1Å; E507-I516 HydrophobicContact CG-CG1 4.17Å; E507-I516 WeakPolarHBondContact O-CG1 3.41Å; L508-I516 HydrophobicContact CD2-CD1 4Å; L508-I516 HydrophobicContact CD2-CG1 4.28Å; L508-I516 HydrophobicContact CD2-CG2 3.96Å; R511-I516 VanDerWaalsContact CZ-CD1 3.41Å
517	S	92.1	Very high	91.6	Very high	13 Å²	13	35.9 Å²	35.9	9%	0.091	17%	0.171	C	C	.	.	S	Bend	trans	-153.5	-171.9	178.6	64.7	0	0	0	0	109.7	L457 S490 E515 K519 S520	L457-S517 VanDerWaalsContact CD2-C 3.5Å; S490-S517 WeakPolarHBondContact O-CA 3.29Å; S490-S517 WeakPolarHBondContact O-CB 3.43Å; E515-S517 PolarHBondContact O-N 2.88Å; S517-K519 PolarHBondContact O-N 2.85Å; S517-K519 WeakPolarHBondContact OG-CB 3.46Å; S517-K519 VanDerWaalsContact OG-CG 3.31Å; S517-K519 WeakPolarHBondContact OG-CG 3.32Å; S517-K519 PolarHBondContact OG-N 2.96Å; S517-S520 WeakPolarHBondContact O-CB 3.47Å; S517-S520 PolarHBondContact O-N 3.36Å; S517-S520 PolarHBondContact O-OG 3.01Å
518	Y	93.3	Very high	91.9	Very high	43 Å²	43	35.8 Å²	35.8	17%	0.169	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-16.9	172	69	-90.9	0	0	0	113.8	H449 S520 D521 V522	H449-Y518 PolarHBondContact CE1-O 3.3Å; H449-Y518 VanDerWaalsContact CE1-O 3.29Å; H449-Y518 AromaticContact ND1-CD2 3.52Å; Y518-S520 PolarHBondContact O-N 3.1Å; Y518-D521 PolarHBondContact O-N 2.9Å; Y518-V522 HydrophobicContact CD2-CG2 4.42Å; Y518-V522 PolarHBondContact O-N 3.24Å
519	K	95.5	Very high	92.2	Very high	23 Å²	23	35.1 Å²	35.1	10%	0.1	17%	0.168	C	C	.	.	H	α-helix	trans	-63.5	-20.1	173.1	-61.3	-65.9	-171.3	165.2	0	113.6	S517 V522 Y523 P594 R597 P598	S517-K519 PolarHBondContact O-N 2.85Å; S517-K519 WeakPolarHBondContact OG-CB 3.46Å; S517-K519 VanDerWaalsContact OG-CG 3.31Å; S517-K519 WeakPolarHBondContact OG-CG 3.32Å; S517-K519 PolarHBondContact OG-N 2.96Å; K519-V522 HydrophobicContact CD-CG2 4.33Å; K519-V522 WeakPolarHBondContact O-CB 3.27Å; K519-V522 PolarHBondContact O-N 3.14Å; K519-Y523 PolarHBondContact O-N 3.4Å; K519-Y523 VanDerWaalsContact O-N 3.12Å; K519-P594 HydrophobicContact CB-CB 3.82Å; K519-P594 WeakPolarHBondContact CD-O 2.95Å; K519-P594 HydrophobicContact CG-CB 4.3Å; K519-P594 WeakPolarHBondContact CG-O 3.29Å; K519-R597 HydrophobicContact CD-CB 4.19Å; K519-R597 PolarHBondContact NZ-O 3.15Å; K519-R597 PolarHBondContact O-NH1 3.5Å; K519-P598 PolarHBondContact NZ-O 2.79Å
520	S	95	Very high	92.6	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	14%	0.142	C	C	.	.	H	α-helix	trans	-68.1	-40	173.5	-52.6	0	0	0	0	110.9	E507 S517 Y518 V522 Y523 S524	E507-S520 WeakPolarHBondContact OE1-CA 3.24Å; E507-S520 WeakPolarHBondContact OE1-CB 3.37Å; E507-S520 PolarHBondContact OE1-OG 2.96Å; S517-S520 WeakPolarHBondContact O-CB 3.47Å; S517-S520 PolarHBondContact O-N 3.36Å; S517-S520 PolarHBondContact O-OG 3.01Å; Y518-S520 PolarHBondContact O-N 3.1Å; S520-V522 VanDerWaalsContact C-N 3.31Å; S520-V522 PolarHBondContact O-N 3.2Å; S520-Y523 WeakPolarHBondContact O-CB 3.44Å; S520-Y523 PolarHBondContact O-N 2.86Å; S520-S524 PolarHBondContact O-N 3.2Å; S520-S524 PolarHBondContact O-OG 2.81Å
521	D	96.7	Very high	92.8	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-66.1	-36.3	172.7	-63.8	-24.8	0	0	0	111.5	M445 H449 L457 H458 F459 Y518 Y523 S524 F525	M445-D521 HydrophobicContact CE-CB 3.61Å; M445-D521 WeakPolarHBondContact CE-O 3.31Å; H449-D521 IonicContact CD2-OD2 2.71Å; H449-D521 IonicContact CE1-OD2 3.2Å; H449-D521 IonicContact NE2-OD2 3.78Å; H449-D521 PolarHBondContact NE2-OD2 2.71Å; L457-D521 WeakPolarHBondContact CA-OD2 3.28Å; H458-D521 PolarHBondContact N-OD1 3.46Å; H458-D521 PolarHBondContact N-OD2 2.82Å; F459-D521 WeakPolarHBondContact CA-OD1 3.39Å; F459-D521 PolarHBondContact N-OD1 2.98Å; Y518-D521 PolarHBondContact O-N 2.9Å; D521-Y523 VanDerWaalsContact C-N 3.26Å; D521-Y523 PolarHBondContact O-N 3.42Å; D521-S524 WeakPolarHBondContact O-CB 3.37Å; D521-S524 PolarHBondContact O-N 3.34Å; D521-S524 VanDerWaalsContact O-N 3.17Å; D521-F525 PolarHBondContact O-N 3.12Å
522	V	98.1	Very high	93.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58.6	-41.3	176.3	-178.5	0	0	0	0	110.5	Y518 K519 S520 F525 G526 C589 R597 M600	Y518-V522 HydrophobicContact CD2-CG2 4.42Å; Y518-V522 PolarHBondContact O-N 3.24Å; K519-V522 HydrophobicContact CD-CG2 4.33Å; K519-V522 WeakPolarHBondContact O-CB 3.27Å; K519-V522 PolarHBondContact O-N 3.14Å; S520-V522 VanDerWaalsContact C-N 3.31Å; S520-V522 PolarHBondContact O-N 3.2Å; V522-F525 WeakPolarHBondContact O-CB 3.47Å; V522-F525 PolarHBondContact O-N 3.04Å; V522-G526 PolarHBondContact O-N 3.23Å; V522-C589 HydrophobicContact CG1-CB 3.86Å; V522-C589 WeakPolarHBondContact O-CB 3.13Å; V522-R597 HydrophobicContact CG1-CB 4.22Å; V522-M600 HydrophobicContact CB-SD 4.39Å; V522-M600 HydrophobicContact CG1-SD 4.33Å; V522-M600 HydrophobicContact CG2-CG 4.19Å; V522-M600 HydrophobicContact CG2-SD 3.81Å
523	Y	97	Very high	93.3	Very high	12 Å²	12	14.1 Å²	14.1	5%	0.047	7%	0.071	C	C	.	.	H	α-helix	trans	-61.1	-49.3	174.3	-179.5	-82.4	0	0	0	111.5	I504 A505 P506 K519 S520 D521 F525 G526 M527 Y550 C589 I590	I504-Y523 WeakPolarHBondContact O-CE1 3.07Å; A505-Y523 HydrophobicContact CB-CD1 3.97Å; A505-Y523 HydrophobicContact CB-CG 3.85Å; P506-Y523 HydrophobicContact CG-CE2 4.19Å; K519-Y523 PolarHBondContact O-N 3.4Å; K519-Y523 VanDerWaalsContact O-N 3.12Å; S520-Y523 WeakPolarHBondContact O-CB 3.44Å; S520-Y523 PolarHBondContact O-N 2.86Å; D521-Y523 VanDerWaalsContact C-N 3.26Å; D521-Y523 PolarHBondContact O-N 3.42Å; Y523-F525 VanDerWaalsContact C-N 3.28Å; Y523-F525 PolarHBondContact O-N 3.27Å; Y523-G526 WeakPolarHBondContact O-CA 3.07Å; Y523-G526 PolarHBondContact O-N 3.32Å; Y523-M527 HydrophobicContact CD1-CG 3.94Å; Y523-M527 HydrophobicContact CE1-CG 3.47Å; Y523-M527 VanDerWaalsContact CE1-CG 3.47Å; Y523-M527 HydrophobicContact CE1-SD 4.17Å; Y523-M527 PolarHBondContact O-N 3.28Å; Y523-Y550 PolarHBondContact OH-OH 2.85Å; Y523-C589 WeakPolarHBondContact CA-O 3.43Å; Y523-I590 HydrophobicContact CD2-CB 3.99Å; Y523-I590 HydrophobicContact CD2-CG2 4.24Å; Y523-I590 HydrophobicContact CE2-CB 3.84Å; Y523-I590 HydrophobicContact CE2-CG2 4.24Å
524	S	97.5	Very high	93.3	Very high	3 Å²	3	10.8 Å²	10.8	2%	0.021	6%	0.057	C	C	.	.	H	α-helix	trans	-58.9	-39.1	178.1	-52.1	0	0	0	0	112.4	I461 Y503 S520 D521 M527 L528	I461-S524 WeakPolarHBondContact O-CB 3.4Å; Y503-S524 WeakPolarHBondContact O-CB 3.07Å; Y503-S524 PolarHBondContact O-OG 3.11Å; S520-S524 PolarHBondContact O-N 3.2Å; S520-S524 PolarHBondContact O-OG 2.81Å; D521-S524 WeakPolarHBondContact O-CB 3.37Å; D521-S524 PolarHBondContact O-N 3.34Å; D521-S524 VanDerWaalsContact O-N 3.17Å; S524-M527 PolarHBondContact O-N 3.31Å; S524-L528 WeakPolarHBondContact O-CB 3.35Å; S524-L528 PolarHBondContact O-N 3Å
525	F	98.5	Very high	92.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-60.7	-45.5	171.6	170.5	-94.5	0	0	0	112.3	I441 A442 M445 D521 V522 Y523 M527 L528 V529 M600 V603 I607	I441-F525 HydrophobicContact CB-CD2 4.41Å; I441-F525 HydrophobicContact CB-CE2 4.15Å; I441-F525 HydrophobicContact CG2-CD2 3.73Å; I441-F525 HydrophobicContact CG2-CE2 3.98Å; A442-F525 HydrophobicContact CB-CE2 4.1Å; A442-F525 HydrophobicContact CB-CZ 4.05Å; M445-F525 HydrophobicContact CE-CB 3.89Å; M445-F525 HydrophobicContact SD-CB 3.74Å; M445-F525 HydrophobicContact SD-CD2 3.86Å; M445-F525 HydrophobicContact SD-CG 4.09Å; D521-F525 PolarHBondContact O-N 3.12Å; V522-F525 WeakPolarHBondContact O-CB 3.47Å; V522-F525 PolarHBondContact O-N 3.04Å; Y523-F525 VanDerWaalsContact C-N 3.28Å; Y523-F525 PolarHBondContact O-N 3.27Å; F525-M527 PolarHBondContact O-N 3.08Å; F525-L528 WeakPolarHBondContact O-CB 3.4Å; F525-L528 PolarHBondContact O-N 3.09Å; F525-V529 HydrophobicContact CD1-CG2 4.39Å; F525-V529 HydrophobicContact CD2-CG2 4.31Å; F525-V529 HydrophobicContact CE1-CG2 3.89Å; F525-V529 HydrophobicContact CE2-CG2 3.82Å; F525-V529 HydrophobicContact CZ-CG2 3.59Å; F525-V529 WeakPolarHBondContact O-CG2 3.18Å; F525-V529 PolarHBondContact O-N 2.91Å; F525-M600 HydrophobicContact CD1-CE 4.16Å; F525-M600 HydrophobicContact CD2-CE 4.2Å; F525-M600 HydrophobicContact CE1-CE 4.37Å; F525-M600 HydrophobicContact CE2-CE 4.39Å; F525-M600 HydrophobicContact CG-CE 4.08Å; F525-M600 HydrophobicContact CZ-CE 4.47Å; F525-V603 HydrophobicContact CD1-CG1 4.26Å; F525-V603 HydrophobicContact CE1-CG1 3.47Å; F525-V603 VanDerWaalsContact CE1-CG1 3.47Å; F525-V603 HydrophobicContact CZ-CG1 3.9Å; F525-I607 HydrophobicContact CZ-CD1 4.05Å
526	G	97.3	Very high	92.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-57.5	-49	175.9	0	0	0	0	0	111.8	V522 Y523 L528 V529 L530	V522-G526 PolarHBondContact O-N 3.23Å; Y523-G526 WeakPolarHBondContact O-CA 3.07Å; Y523-G526 PolarHBondContact O-N 3.32Å; G526-L528 VanDerWaalsContact C-N 3.34Å; G526-L528 PolarHBondContact O-N 3.34Å; G526-V529 PolarHBondContact O-N 2.99Å; G526-L530 WeakPolarHBondContact O-CG 3.41Å; G526-L530 PolarHBondContact O-N 2.97Å
527	M	95.3	Very high	91.3	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.02	7%	0.072	C	C	.	.	H	α-helix	trans	-59	-43.4	176.8	-66.7	-56.5	-65.5	0	0	112.5	G502 Y503 Y523 S524 F525 V529 L530 E531 F551 P552 I590	G502-M527 WeakPolarHBondContact O-CE 3.33Å; Y503-M527 HydrophobicContact CD1-CB 3.86Å; Y503-M527 HydrophobicContact CE1-CB 4.45Å; Y523-M527 HydrophobicContact CD1-CG 3.94Å; Y523-M527 HydrophobicContact CE1-CG 3.47Å; Y523-M527 VanDerWaalsContact CE1-CG 3.47Å; Y523-M527 HydrophobicContact CE1-SD 4.17Å; Y523-M527 PolarHBondContact O-N 3.28Å; S524-M527 PolarHBondContact O-N 3.31Å; F525-M527 PolarHBondContact O-N 3.08Å; M527-V529 PolarHBondContact O-N 3.24Å; M527-L530 PolarHBondContact O-N 3.13Å; M527-L530 HydrophobicContact SD-CD1 4.32Å; M527-E531 WeakPolarHBondContact O-CG 3.39Å; M527-E531 PolarHBondContact O-N 2.97Å; M527-F551 HydrophobicContact CE-CD1 4.25Å; M527-P552 HydrophobicContact CE-CG 3.83Å; M527-P552 HydrophobicContact SD-CG 3.92Å; M527-I590 HydrophobicContact CG-CG2 4.05Å; M527-I590 HydrophobicContact SD-CG2 3.81Å
528	L	96	Very high	90	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.8	-46.9	175.5	-179.2	160.9	0	0	0	111.9	L413 I441 I461 P463 I466 S524 F525 G526 L530 E531 M532	L413-L528 HydrophobicContact CD2-CD2 4.04Å; I441-L528 HydrophobicContact CD1-CD1 4.36Å; I441-L528 HydrophobicContact CD1-CD2 3.89Å; I461-L528 HydrophobicContact CG2-CD1 4Å; P463-L528 HydrophobicContact CG-CG 4.16Å; I466-L528 HydrophobicContact CD1-CD1 4.37Å; I466-L528 HydrophobicContact CG1-CD1 3.71Å; S524-L528 WeakPolarHBondContact O-CB 3.35Å; S524-L528 PolarHBondContact O-N 3Å; F525-L528 WeakPolarHBondContact O-CB 3.4Å; F525-L528 PolarHBondContact O-N 3.09Å; G526-L528 VanDerWaalsContact C-N 3.34Å; G526-L528 PolarHBondContact O-N 3.34Å; L528-L530 VanDerWaalsContact C-N 3.35Å; L528-E531 PolarHBondContact O-N 3.09Å; L528-M532 PolarHBondContact O-N 3.15Å
529	V	95.9	Very high	88.4	Confident	2 Å²	2	21.4 Å²	21.4	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-67.3	-37.3	179.8	175.2	0	0	0	0	111.1	A438 F525 G526 M527 E531 M532 V533 L582 A586	A438-V529 HydrophobicContact CB-CG2 4.28Å; F525-V529 HydrophobicContact CD1-CG2 4.39Å; F525-V529 HydrophobicContact CD2-CG2 4.31Å; F525-V529 HydrophobicContact CE1-CG2 3.89Å; F525-V529 HydrophobicContact CE2-CG2 3.82Å; F525-V529 HydrophobicContact CZ-CG2 3.59Å; F525-V529 WeakPolarHBondContact O-CG2 3.18Å; F525-V529 PolarHBondContact O-N 2.91Å; G526-V529 PolarHBondContact O-N 2.99Å; M527-V529 PolarHBondContact O-N 3.24Å; V529-E531 PolarHBondContact O-N 2.95Å; V529-M532 HydrophobicContact CG1-CE 4.37Å; V529-M532 HydrophobicContact CG2-CE 4.34Å; V529-M532 WeakPolarHBondContact O-CB 3.35Å; V529-M532 PolarHBondContact O-N 3.43Å; V529-V533 HydrophobicContact CG1-CG1 4.32Å; V529-V533 WeakPolarHBondContact O-CG2 3.28Å; V529-V533 PolarHBondContact O-N 3.46Å; V529-L582 HydrophobicContact CG1-CB 4Å; V529-A586 HydrophobicContact CB-CB 3.86Å; V529-A586 HydrophobicContact CG1-CB 3.8Å
530	L	92.2	Very high	86.5	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.6	-42.4	174.6	-72.9	-178.1	0	0	0	112.4	G526 M527 L528 V533 S534 F551 P552 I555 A586 L587 I590	G526-L530 WeakPolarHBondContact O-CG 3.41Å; G526-L530 PolarHBondContact O-N 2.97Å; M527-L530 PolarHBondContact O-N 3.13Å; M527-L530 HydrophobicContact SD-CD1 4.32Å; L528-L530 VanDerWaalsContact C-N 3.35Å; L530-V533 WeakPolarHBondContact O-CG2 3.43Å; L530-S534 VanDerWaalsContact O-CB 3.27Å; L530-S534 WeakPolarHBondContact O-CB 3.38Å; L530-S534 PolarHBondContact O-N 3.25Å; L530-S534 VanDerWaalsContact O-N 3.1Å; L530-S534 PolarHBondContact O-OG 3.15Å; L530-F551 HydrophobicContact CB-CE1 3.98Å; L530-F551 HydrophobicContact CB-CZ 4.33Å; L530-P552 HydrophobicContact CD1-CB 4.3Å; L530-I555 HydrophobicContact CB-CD1 3.67Å; L530-I555 HydrophobicContact CD1-CD1 4.39Å; L530-I555 HydrophobicContact CD2-CB 4.3Å; L530-I555 HydrophobicContact CD2-CD1 3.84Å; L530-I555 HydrophobicContact CD2-CG2 3.66Å; L530-I555 HydrophobicContact CG-CD1 4.15Å; L530-A586 HydrophobicContact CD2-CB 3.68Å; L530-A586 HydrophobicContact CG-CB 3.78Å; L530-L587 HydrophobicContact CD2-CD2 4.3Å; L530-L587 HydrophobicContact CD2-CG 4.35Å; L530-I590 HydrophobicContact CD1-CD1 3.74Å; L530-I590 HydrophobicContact CD1-CG1 4.43Å; L530-I590 HydrophobicContact CD1-CG2 4.36Å
531	E	90	Very high	84.2	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.009	13%	0.127	C	C	.	.	H	α-helix	trans	-64	-42	173.5	-69.4	-173.7	153.4	0	0	111.7	I417 F418 P463 Y503 M527 L528 V529 S534 G535 R536 S538 F551	I417-E531 HydrophobicContact CD1-CB 4.38Å; F418-E531 HydrophobicContact CE1-CB 4.18Å; F418-E531 HydrophobicContact CZ-CB 4.35Å; P463-E531 WeakPolarHBondContact CG-OE2 3.4Å; Y503-E531 WeakPolarHBondContact CE1-OE2 3.44Å; Y503-E531 VanDerWaalsContact CZ-OE2 3.29Å; Y503-E531 PolarHBondContact OH-OE1 3.25Å; Y503-E531 PolarHBondContact OH-OE2 3.25Å; M527-E531 WeakPolarHBondContact O-CG 3.39Å; M527-E531 PolarHBondContact O-N 2.97Å; L528-E531 PolarHBondContact O-N 3.09Å; V529-E531 PolarHBondContact O-N 2.95Å; E531-S534 PolarHBondContact O-N 3.02Å; E531-S534 PolarHBondContact O-OG 2.8Å; E531-G535 PolarHBondContact O-N 2.79Å; E531-R536 WeakPolarHBondContact CG-O 3.02Å; E531-S538 WeakPolarHBondContact OE1-CB 3.36Å; E531-S538 PolarHBondContact OE1-N 3.34Å; E531-S538 PolarHBondContact OE1-OG 3.03Å; E531-F551 HydrophobicContact CG-CE1 4.11Å; E531-F551 HydrophobicContact CG-CZ 4.11Å
532	M	90.9	Very high	81.7	Confident	1 Å²	1	31 Å²	31	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-62.2	-44.6	179	-176.9	169.8	60.2	0	0	112.7	I417 L429 M434 I437 A438 L528 V529	I417-M532 HydrophobicContact CG2-CB 4.13Å; I417-M532 HydrophobicContact CG2-CG 3.97Å; L429-M532 HydrophobicContact CD1-SD 4.34Å; M434-M532 HydrophobicContact CB-CE 4.07Å; M434-M532 HydrophobicContact CB-CG 4.09Å; M434-M532 HydrophobicContact CB-SD 3.89Å; M434-M532 VanDerWaalsContact CE-O 3.29Å; M434-M532 WeakPolarHBondContact CE-O 3.38Å; M434-M532 HydrophobicContact CG-CG 3.77Å; M434-M532 HydrophobicContact CG-SD 4.08Å; M434-M532 VanDerWaalsContact O-CE 3.32Å; M434-M532 WeakPolarHBondContact O-CE 3.4Å; M434-M532 HydrophobicContact SD-CG 4.06Å; I437-M532 HydrophobicContact CB-SD 4.44Å; I437-M532 HydrophobicContact CG2-SD 4.14Å; A438-M532 HydrophobicContact CB-CE 3.89Å; L528-M532 PolarHBondContact O-N 3.15Å; V529-M532 HydrophobicContact CG1-CE 4.37Å; V529-M532 HydrophobicContact CG2-CE 4.34Å; V529-M532 WeakPolarHBondContact O-CB 3.35Å; V529-M532 PolarHBondContact O-N 3.43Å
533	V	88.8	Confident	79.4	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-76.2	-25.1	-179.7	-62	0	0	0	0	113.5	V529 L530 V579 L582 A583	V529-V533 HydrophobicContact CG1-CG1 4.32Å; V529-V533 WeakPolarHBondContact O-CG2 3.28Å; V529-V533 PolarHBondContact O-N 3.46Å; L530-V533 WeakPolarHBondContact O-CG2 3.43Å; V533-V579 HydrophobicContact CB-CG1 3.91Å; V533-V579 HydrophobicContact CG1-CG1 4.22Å; V533-L582 HydrophobicContact CG1-CB 3.71Å; V533-L582 HydrophobicContact CG1-CD1 4.23Å; V533-A583 HydrophobicContact CG2-CB 4.25Å
534	S	83.2	Confident	76.9	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-92	-19.4	-179.6	63.5	0	0	0	0	113.8	L530 E531 R536 F551	L530-S534 VanDerWaalsContact O-CB 3.27Å; L530-S534 WeakPolarHBondContact O-CB 3.38Å; L530-S534 PolarHBondContact O-N 3.25Å; L530-S534 VanDerWaalsContact O-N 3.1Å; L530-S534 PolarHBondContact O-OG 3.15Å; E531-S534 PolarHBondContact O-N 3.02Å; E531-S534 PolarHBondContact O-OG 2.8Å; S534-R536 PolarHBondContact O-N 2.92Å; S534-R536 PolarHBondContact OG-N 2.98Å; S534-F551 WeakPolarHBondContact OG-CE2 3.45Å; S534-F551 WeakPolarHBondContact OG-CZ 3.25Å
535	G	79	Confident	74.4	Confident	17 Å²	17	49.7 Å²	49.7	18%	0.175	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	13.6	-171.9	0	0	0	0	0	113.9	I417 E531	I417-G535 CarbonylContact O-C 3.57Å; I417-G535 VanDerWaalsContact O-CA 3.29Å; I417-G535 WeakPolarHBondContact O-CA 3.21Å; E531-G535 PolarHBondContact O-N 2.79Å
536	R	72.5	Confident	71.8	Confident	117 Å²	117	56.9 Å²	56.9	44%	0.442	28%	0.28	S	S	.	.	S	Bend	trans	-120.7	145.2	-173.2	-69.3	-177.5	-178.8	-161.4	-2.9	111	F418 E531 S534 F551	F418-R536 WeakPolarHBondContact CE1-O 3.36Å; E531-R536 WeakPolarHBondContact CG-O 3.02Å; S534-R536 PolarHBondContact O-N 2.92Å; S534-R536 PolarHBondContact OG-N 2.98Å; R536-F551 HydrophobicContact CB-CE2 4.06Å
537	R	73.1	Confident	69.3	Low	101 Å²	101	62.8 Å²	62.8	38%	0.381	31%	0.312	S	S	.	.			trans	-70.3	135.6	171	-69.3	-179.6	171.9	-134.7	-12.3	109.7	E414 F418 H420 W539	E414-R537 IonicContact OE1-NH2 2.85Å; E414-R537 PolarHBondContact OE1-NH2 2.63Å; F418-R537 HydrophobicContact CD1-CG 3.55Å; F418-R537 HydrophobicContact CD2-CG 4.05Å; F418-R537 HydrophobicContact CE1-CB 4.14Å; F418-R537 HydrophobicContact CE1-CG 3.4Å; F418-R537 VanDerWaalsContact CE1-CG 3.4Å; F418-R537 HydrophobicContact CE2-CG 3.87Å; F418-R537 HydrophobicContact CG-CG 3.89Å; F418-R537 HydrophobicContact CZ-CB 4.41Å; F418-R537 HydrophobicContact CZ-CG 3.55Å; H420-R537 PolarHBondContact CE1-NH2 3.32Å; R537-W539 PolarHBondContact O-N 2.95Å
538	S	64.6	Low	67.3	Low	26 Å²	26	71.4 Å²	71.4	18%	0.182	35%	0.352	C	S	.	.	S	Bend	trans	-64.4	-23.7	174.9	59	0	0	0	0	112.7	E531	E531-S538 WeakPolarHBondContact OE1-CB 3.36Å; E531-S538 PolarHBondContact OE1-N 3.34Å; E531-S538 PolarHBondContact OE1-OG 3.03Å
539	W	59.7	Low	65.6	Low	137 Å²	137	75 Å²	75	52%	0.519	37%	0.374	S	S	.	.			trans	-134.6	103	174.7	-172.9	80.2	0	0	0	109.1	M501 R537 P541	M501-W539 HydrophobicContact CE-CG 4.46Å; R537-W539 PolarHBondContact O-N 2.95Å; W539-P541 HydrophobicContact CE3-CG 4.18Å; W539-P541 HydrophobicContact CH2-CB 3.84Å; W539-P541 HydrophobicContact CH2-CG 3.71Å; W539-P541 HydrophobicContact CZ2-CB 4.02Å; W539-P541 HydrophobicContact CZ2-CG 4.33Å; W539-P541 HydrophobicContact CZ3-CB 4.22Å; W539-P541 HydrophobicContact CZ3-CG 3.62Å
540	D	54.3	Low	64.5	Low	50 Å²	50	79.8 Å²	79.8	27%	0.267	39%	0.392	S	S	.	.			trans	-115.3	105.3	171	-171.9	-11.5	0	0	0	109.1	S542 I543	D540-S542 VanDerWaalsContact CG-OG 3.25Å; D540-S542 PolarHBondContact O-N 2.81Å; D540-S542 WeakPolarHBondContact OD1-CA 3.49Å; D540-S542 VanDerWaalsContact OD1-CB 3.27Å; D540-S542 WeakPolarHBondContact OD1-CB 3.04Å; D540-S542 PolarHBondContact OD1-N 3.32Å; D540-S542 PolarHBondContact OD1-OG 2.93Å; D540-S542 PolarHBondContact OD2-OG 2.03Å; D540-I543 HydrophobicContact CB-CD1 3.7Å; D540-I543 HydrophobicContact CB-CG1 3.82Å; D540-I543 PolarHBondContact O-N 2.8Å
541	P	48	Very low	63.9	Low	87 Å²	87	81 Å²	81	57%	0.565	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-15	178.3	29	-33.6	0	0	0	112.7	W539	W539-P541 HydrophobicContact CE3-CG 4.18Å; W539-P541 HydrophobicContact CH2-CB 3.84Å; W539-P541 HydrophobicContact CH2-CG 3.71Å; W539-P541 HydrophobicContact CZ2-CB 4.02Å; W539-P541 HydrophobicContact CZ2-CG 4.33Å; W539-P541 HydrophobicContact CZ3-CB 4.22Å; W539-P541 HydrophobicContact CZ3-CG 3.62Å
542	S	44.6	Very low	63.5	Low	90 Å²	90	80.9 Å²	80.9	63%	0.629	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-16.4	179.9	77	0	0	0	0	113.4	D540 K544	D540-S542 VanDerWaalsContact CG-OG 3.25Å; D540-S542 PolarHBondContact O-N 2.81Å; D540-S542 WeakPolarHBondContact OD1-CA 3.49Å; D540-S542 VanDerWaalsContact OD1-CB 3.27Å; D540-S542 WeakPolarHBondContact OD1-CB 3.04Å; D540-S542 PolarHBondContact OD1-N 3.32Å; D540-S542 PolarHBondContact OD1-OG 2.93Å; D540-S542 PolarHBondContact OD2-OG 2.03Å; S542-K544 PolarHBondContact O-N 3.47Å
543	I	49.1	Very low	63	Low	87 Å²	87	82 Å²	82	45%	0.446	40%	0.403	S	S	.	.			trans	-74.5	83.1	171.8	-57.5	177.4	0	0	0	107.9	D540 N545 Q546	D540-I543 HydrophobicContact CB-CD1 3.7Å; D540-I543 HydrophobicContact CB-CG1 3.82Å; D540-I543 PolarHBondContact O-N 2.8Å; I543-N545 WeakPolarHBondContact CG2-O 3.37Å; I543-N545 PolarHBondContact O-N 2.87Å; I543-N545 VanDerWaalsContact O-N 3.14Å; I543-Q546 PolarHBondContact O-N 2.81Å
544	K	45.3	Very low	62.6	Low	203 Å²	203	84.6 Å²	84.6	88%	0.883	41%	0.412	S	S	*	.	S	Bend	trans	-53.6	-29.4	175.6	-76.5	-175.8	175.6	-179.2	0	113	S542	S542-K544 PolarHBondContact O-N 3.47Å
545	N	43	Very low	62.4	Low	116 Å²	116	84.5 Å²	84.5	62%	0.62	41%	0.411	S	S	*	.			trans	-105.7	72.7	176.5	-72.1	-0.3	0	0	0	109.3	I543 N547	I543-N545 WeakPolarHBondContact CG2-O 3.37Å; I543-N545 PolarHBondContact O-N 2.87Å; I543-N545 VanDerWaalsContact O-N 3.14Å; N545-N547 PolarHBondContact O-N 2.88Å
546	Q	44.9	Very low	62.7	Low	152 Å²	152	84.9 Å²	84.9	71%	0.71	41%	0.408	S	S	*	.			trans	-63.2	65.8	153.6	-71.1	-173.7	-7.9	0	0	108	I543 E548	I543-Q546 PolarHBondContact O-N 2.81Å; Q546-E548 PolarHBondContact O-N 3.27Å
547	N	44.5	Very low	63.2	Low	123 Å²	123	82.3 Å²	82.3	66%	0.658	40%	0.401	S	S	*	.			trans	-63	89.3	171	-77.3	3.5	0	0	0	106.6	N545 V549	N545-N547 PolarHBondContact O-N 2.88Å; N547-V549 VanDerWaalsContact C-N 3.35Å; N547-V549 PolarHBondContact O-N 2.82Å
548	E	54.1	Low	63.6	Low	186 Å²	186	79 Å²	79	87%	0.869	39%	0.389	S	S	*	.	S	Bend	trans	62.4	-5.9	150.6	-63.4	179.6	164.4	0	0	120.7	Q546	Q546-E548 PolarHBondContact O-N 3.27Å
549	V	59.3	Low	64.4	Low	76 Å²	76	78 Å²	78	46%	0.461	38%	0.382	S	S	.	.			trans	-121.9	117.9	-176.7	-165.3	0	0	0	0	113.2	N547 F551 E553 W554	N547-V549 VanDerWaalsContact C-N 3.35Å; N547-V549 PolarHBondContact O-N 2.82Å; V549-F551 PolarHBondContact O-N 2.92Å; V549-E553 HydrophobicContact CG1-CB 3.81Å; V549-E553 HydrophobicContact CG1-CG 3.76Å; V549-W554 HydrophobicContact CB-CB 4.38Å; V549-W554 HydrophobicContact CG1-CB 3.86Å
550	Y	73.2	Confident	65.4	Low	102 Å²	102	75 Å²	75	40%	0.4	38%	0.375	S	S	.	.			trans	-53.7	134.2	172.7	176.6	-129	0	0	0	110.5	Y523 P552 E553 W554 F621	Y523-Y550 PolarHBondContact OH-OH 2.85Å; Y550-P552 HydrophobicContact CD1-CB 4.14Å; Y550-P552 HydrophobicContact CD1-CG 4.1Å; Y550-P552 HydrophobicContact CE1-CB 3.85Å; Y550-P552 HydrophobicContact CE1-CG 3.55Å; Y550-P552 HydrophobicContact CE2-CG 4.27Å; Y550-E553 CarbonylContact O-C 3.55Å; Y550-E553 VanDerWaalsContact O-CA 3.32Å; Y550-E553 WeakPolarHBondContact O-CA 3.39Å; Y550-E553 VanDerWaalsContact O-CB 3.25Å; Y550-E553 WeakPolarHBondContact O-CB 3.32Å; Y550-E553 PolarHBondContact O-N 3.36Å; Y550-W554 PolarHBondContact O-N 3.2Å; Y550-F621 AromaticContact CD1-CD1 3.51Å; Y550-F621 HydrophobicContact CD1-CD1 3.51Å; Y550-F621 AromaticContact CD1-CE1 3.52Å; Y550-F621 HydrophobicContact CD1-CE1 3.52Å; Y550-F621 HydrophobicContact CD1-CG 4.44Å; Y550-F621 HydrophobicContact CD1-CZ 4.44Å; Y550-F621 AromaticContact CE1-CD1 3.77Å; Y550-F621 HydrophobicContact CE1-CD1 3.77Å; Y550-F621 AromaticContact CE1-CE1 3.47Å; Y550-F621 HydrophobicContact CE1-CE1 3.47Å; Y550-F621 VanDerWaalsContact CE1-CE1 3.47Å
551	F	80	Confident	66.6	Low	24 Å²	24	76.2 Å²	76.2	11%	0.105	39%	0.385	C	S	.	.	H	α-helix	trans	-51	-47.8	-169.9	165	-102.6	0	0	0	114.5	M527 L530 E531 S534 R536 V549 E553 W554 I555	M527-F551 HydrophobicContact CE-CD1 4.25Å; L530-F551 HydrophobicContact CB-CE1 3.98Å; L530-F551 HydrophobicContact CB-CZ 4.33Å; E531-F551 HydrophobicContact CG-CE1 4.11Å; E531-F551 HydrophobicContact CG-CZ 4.11Å; S534-F551 WeakPolarHBondContact OG-CE2 3.45Å; S534-F551 WeakPolarHBondContact OG-CZ 3.25Å; R536-F551 HydrophobicContact CB-CE2 4.06Å; V549-F551 PolarHBondContact O-N 2.92Å; F551-E553 VanDerWaalsContact C-N 3.31Å; F551-E553 PolarHBondContact O-N 2.72Å; F551-W554 HydrophobicContact CD2-CE3 4.38Å; F551-W554 PolarHBondContact O-N 2.79Å; F551-I555 HydrophobicContact CD1-CD1 4.44Å; F551-I555 HydrophobicContact CD2-CD1 4.34Å; F551-I555 HydrophobicContact CE1-CD1 3.79Å; F551-I555 HydrophobicContact CE2-CD1 3.67Å; F551-I555 HydrophobicContact CE2-CG1 4.34Å; F551-I555 HydrophobicContact CZ-CD1 3.38Å; F551-I555 HydrophobicContact CZ-CG1 4.47Å; F551-I555 PolarHBondContact O-N 3.18Å; F551-I555 VanDerWaalsContact O-N 3.14Å
552	P	81.5	Confident	67.7	Low	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-62.5	-32.7	172.9	-29.3	40.4	0	0	0	115	M527 L530 Y550 I555 Y556 I590 F621	M527-P552 HydrophobicContact CE-CG 3.83Å; M527-P552 HydrophobicContact SD-CG 3.92Å; L530-P552 HydrophobicContact CD1-CB 4.3Å; Y550-P552 HydrophobicContact CD1-CB 4.14Å; Y550-P552 HydrophobicContact CD1-CG 4.1Å; Y550-P552 HydrophobicContact CE1-CB 3.85Å; Y550-P552 HydrophobicContact CE1-CG 3.55Å; Y550-P552 HydrophobicContact CE2-CG 4.27Å; P552-I555 PolarHBondContact O-N 3.34Å; P552-Y556 WeakPolarHBondContact O-CB 3.21Å; P552-Y556 PolarHBondContact O-N 3.17Å; P552-I590 HydrophobicContact CB-CD1 3.57Å; P552-I590 HydrophobicContact CG-CD1 4.28Å; P552-F621 HydrophobicContact CB-CE1 3.6Å; P552-F621 HydrophobicContact CB-CE2 4.44Å; P552-F621 HydrophobicContact CB-CZ 3.33Å; P552-F621 WeakPolarHBondContact O-CZ 3.43Å
553	E	80.5	Confident	68.9	Low	26 Å²	26	75 Å²	75	12%	0.121	38%	0.375	C	S	.	.	H	α-helix	trans	-67.2	-43.3	174.4	-174.5	170.4	-158.6	0	0	111.1	V549 Y550 F551 I555 Y556 E557 K619 F621	V549-E553 HydrophobicContact CG1-CB 3.81Å; V549-E553 HydrophobicContact CG1-CG 3.76Å; Y550-E553 CarbonylContact O-C 3.55Å; Y550-E553 VanDerWaalsContact O-CA 3.32Å; Y550-E553 WeakPolarHBondContact O-CA 3.39Å; Y550-E553 VanDerWaalsContact O-CB 3.25Å; Y550-E553 WeakPolarHBondContact O-CB 3.32Å; Y550-E553 PolarHBondContact O-N 3.36Å; F551-E553 VanDerWaalsContact C-N 3.31Å; F551-E553 PolarHBondContact O-N 2.72Å; E553-I555 VanDerWaalsContact C-N 3.29Å; E553-I555 PolarHBondContact O-N 2.81Å; E553-Y556 WeakPolarHBondContact O-CB 3.46Å; E553-Y556 PolarHBondContact O-N 2.87Å; E553-Y556 VanDerWaalsContact O-N 3.11Å; E553-E557 WeakPolarHBondContact O-CG 3.42Å; E553-E557 PolarHBondContact O-N 2.72Å; E553-K619 WeakPolarHBondContact OE1-CE 3.46Å; E553-K619 IonicContact OE1-NZ 3.68Å; E553-K619 PolarHBondContact OE1-NZ 2.93Å; E553-F621 HydrophobicContact CB-CB 4.41Å; E553-F621 HydrophobicContact CB-CD1 4.29Å; E553-F621 HydrophobicContact CB-CD2 3.45Å; E553-F621 VanDerWaalsContact CB-CD2 3.45Å; E553-F621 HydrophobicContact CB-CE2 3.75Å; E553-F621 HydrophobicContact CB-CG 3.74Å; E553-F621 HydrophobicContact CB-CZ 4.28Å; E553-F621 HydrophobicContact CG-CB 4.34Å; E553-F621 HydrophobicContact CG-CD2 3.64Å; E553-F621 HydrophobicContact CG-CE2 4.28Å; E553-F621 HydrophobicContact CG-CG 4.08Å; E553-F621 VanDerWaalsContact N-CZ 3.34Å
554	W	80.2	Confident	69.7	Low	54 Å²	54	76.2 Å²	76.2	21%	0.205	38%	0.379	C	S	.	.	H	α-helix	trans	-58.8	-41.4	175.5	174.6	76.7	0	0	0	112	V549 Y550 F551 K558	V549-W554 HydrophobicContact CB-CB 4.38Å; V549-W554 HydrophobicContact CG1-CB 3.86Å; Y550-W554 PolarHBondContact O-N 3.2Å; F551-W554 HydrophobicContact CD2-CE3 4.38Å; F551-W554 PolarHBondContact O-N 2.79Å; W554-K558 HydrophobicContact CZ2-CG 4.22Å; W554-K558 WeakPolarHBondContact O-CG 3.48Å; W554-K558 PolarHBondContact O-N 2.81Å; W554-K558 VanDerWaalsContact O-N 3.07Å
555	I	79.5	Confident	70.8	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-67.3	-42.7	174.9	-66	173.4	0	0	0	111.3	L530 F551 P552 E553 E557 K558 V559 F565	L530-I555 HydrophobicContact CB-CD1 3.67Å; L530-I555 HydrophobicContact CD1-CD1 4.39Å; L530-I555 HydrophobicContact CD2-CB 4.3Å; L530-I555 HydrophobicContact CD2-CD1 3.84Å; L530-I555 HydrophobicContact CD2-CG2 3.66Å; L530-I555 HydrophobicContact CG-CD1 4.15Å; F551-I555 HydrophobicContact CD1-CD1 4.44Å; F551-I555 HydrophobicContact CD2-CD1 4.34Å; F551-I555 HydrophobicContact CE1-CD1 3.79Å; F551-I555 HydrophobicContact CE2-CD1 3.67Å; F551-I555 HydrophobicContact CE2-CG1 4.34Å; F551-I555 HydrophobicContact CZ-CD1 3.38Å; F551-I555 HydrophobicContact CZ-CG1 4.47Å; F551-I555 PolarHBondContact O-N 3.18Å; F551-I555 VanDerWaalsContact O-N 3.14Å; P552-I555 PolarHBondContact O-N 3.34Å; E553-I555 VanDerWaalsContact C-N 3.29Å; E553-I555 PolarHBondContact O-N 2.81Å; I555-E557 VanDerWaalsContact C-N 3.32Å; I555-E557 PolarHBondContact O-N 2.8Å; I555-K558 WeakPolarHBondContact O-CB 3.11Å; I555-K558 PolarHBondContact O-N 3.15Å; I555-V559 HydrophobicContact CG2-CG2 4.11Å; I555-V559 WeakPolarHBondContact O-CG2 3.46Å; I555-V559 PolarHBondContact O-N 3.01Å; I555-F565 HydrophobicContact CB-CE1 4.46Å; I555-F565 HydrophobicContact CG1-CE1 4.34Å; I555-F565 HydrophobicContact CG2-CE1 3.75Å; I555-F565 HydrophobicContact CG2-CZ 3.9Å
556	Y	83.8	Confident	71.6	Confident	25 Å²	25	66.8 Å²	66.8	10%	0.098	34%	0.341	C	S	.	.	H	α-helix	trans	-56	-48.8	176.9	-175.9	-85.6	0	0	0	111.1	P552 E553 K558 V559 I560 L587 V616 P617 K619 F621	P552-Y556 WeakPolarHBondContact O-CB 3.21Å; P552-Y556 PolarHBondContact O-N 3.17Å; E553-Y556 WeakPolarHBondContact O-CB 3.46Å; E553-Y556 PolarHBondContact O-N 2.87Å; E553-Y556 VanDerWaalsContact O-N 3.11Å; Y556-K558 VanDerWaalsContact C-N 3.35Å; Y556-K558 PolarHBondContact O-N 2.83Å; Y556-V559 PolarHBondContact O-N 3.37Å; Y556-I560 HydrophobicContact CD1-CD1 4.1Å; Y556-I560 HydrophobicContact CD1-CG2 4.13Å; Y556-I560 HydrophobicContact CE1-CD1 3.85Å; Y556-I560 HydrophobicContact CE1-CG2 3.72Å; Y556-I560 WeakPolarHBondContact O-CG2 3.34Å; Y556-I560 PolarHBondContact O-N 3.11Å; Y556-L587 HydrophobicContact CD2-CD1 4.01Å; Y556-L587 HydrophobicContact CD2-CD2 4.2Å; Y556-V616 HydrophobicContact CE2-CG1 4.34Å; Y556-P617 WeakPolarHBondContact CE2-O 3.07Å; Y556-P617 PolarHBondContact OH-O 2.78Å; Y556-K619 HydrophobicContact CD1-CB 4.45Å; Y556-K619 HydrophobicContact CD1-CD 4.25Å; Y556-K619 HydrophobicContact CD1-CG 4.08Å; Y556-K619 HydrophobicContact CE1-CB 3.77Å; Y556-K619 HydrophobicContact CE1-CD 4.03Å; Y556-K619 HydrophobicContact CE1-CG 3.85Å; Y556-K619 HydrophobicContact CE2-CB 4.26Å; Y556-K619 PolarHBondContact OH-N 2.64Å; Y556-F621 HydrophobicContact CG-CE2 4.3Å
557	E	83.5	Confident	72.4	Confident	63 Å²	63	60.7 Å²	60.7	29%	0.294	31%	0.313	S	S	.	.	H	α-helix	trans	-60.2	-41.5	177.1	-65.7	-56.6	146.1	0	0	112	E553 I555 V559 I560 T561 K619	E553-E557 WeakPolarHBondContact O-CG 3.42Å; E553-E557 PolarHBondContact O-N 2.72Å; I555-E557 VanDerWaalsContact C-N 3.32Å; I555-E557 PolarHBondContact O-N 2.8Å; E557-V559 PolarHBondContact O-N 3.32Å; E557-I560 VanDerWaalsContact O-CG1 3.31Å; E557-I560 WeakPolarHBondContact O-CG1 3.36Å; E557-I560 PolarHBondContact O-N 3.29Å; E557-I560 VanDerWaalsContact OE2-CD1 3.29Å; E557-I560 WeakPolarHBondContact OE2-CD1 3.37Å; E557-T561 WeakPolarHBondContact O-CB 3.38Å; E557-T561 VanDerWaalsContact O-CG2 3.26Å; E557-T561 WeakPolarHBondContact O-CG2 3.33Å; E557-T561 PolarHBondContact O-N 3.33Å; E557-T561 PolarHBondContact O-OG1 3.07Å; E557-K619 IonicContact OE1-NZ 3.52Å; E557-K619 PolarHBondContact OE1-NZ 3.34Å
558	K	81.1	Confident	73.2	Confident	32 Å²	32	59.3 Å²	59.3	14%	0.139	31%	0.313	C	S	.	.	H	α-helix	trans	-60	-45.2	173.6	-76.6	-68.9	-169.6	176.2	0	112.7	W554 I555 Y556 T561 G562 Q563 F565	W554-K558 HydrophobicContact CZ2-CG 4.22Å; W554-K558 WeakPolarHBondContact O-CG 3.48Å; W554-K558 PolarHBondContact O-N 2.81Å; W554-K558 VanDerWaalsContact O-N 3.07Å; I555-K558 WeakPolarHBondContact O-CB 3.11Å; I555-K558 PolarHBondContact O-N 3.15Å; Y556-K558 VanDerWaalsContact C-N 3.35Å; Y556-K558 PolarHBondContact O-N 2.83Å; K558-T561 PolarHBondContact O-OG1 3.25Å; K558-G562 PolarHBondContact O-N 2.8Å; K558-G562 VanDerWaalsContact O-N 3.1Å; K558-Q563 HydrophobicContact CD-CB 3.47Å; K558-Q563 VanDerWaalsContact CD-CB 3.47Å; K558-Q563 HydrophobicContact CD-CG 4.44Å; K558-Q563 VanDerWaalsContact CE-OE1 3.31Å; K558-Q563 PolarHBondContact O-N 2.78Å; K558-Q563 VanDerWaalsContact O-N 3.16Å; K558-F565 HydrophobicContact CB-CE1 4.19Å
559	V	81.5	Confident	73.9	Confident	5 Å²	5	55.9 Å²	55.9	3%	0.03	29%	0.292	C	S	.	.	H	α-helix	trans	-66.1	-40.8	-178.3	173.1	0	0	0	0	111.9	I555 Y556 E557 F565 A583 L584 L587	I555-V559 HydrophobicContact CG2-CG2 4.11Å; I555-V559 WeakPolarHBondContact O-CG2 3.46Å; I555-V559 PolarHBondContact O-N 3.01Å; Y556-V559 PolarHBondContact O-N 3.37Å; E557-V559 PolarHBondContact O-N 3.32Å; V559-F565 HydrophobicContact CG2-CE2 4.24Å; V559-F565 HydrophobicContact CG2-CZ 3.63Å; V559-A583 HydrophobicContact CG2-CB 3.68Å; V559-L584 HydrophobicContact CG1-CD2 3.56Å; V559-L584 HydrophobicContact CG1-CG 3.94Å; V559-L587 HydrophobicContact CB-CD1 4.19Å; V559-L587 HydrophobicContact CG1-CD1 4.32Å; V559-L587 HydrophobicContact CG2-CD1 4.04Å
560	I	81	Confident	74.6	Confident	73 Å²	73	61.1 Å²	61.1	37%	0.374	31%	0.311	S	S	.	.	H	α-helix	trans	-75.4	-37.8	-179.8	69	179.2	0	0	0	112.1	Y556 E557 G562 V616	Y556-I560 HydrophobicContact CD1-CD1 4.1Å; Y556-I560 HydrophobicContact CD1-CG2 4.13Å; Y556-I560 HydrophobicContact CE1-CD1 3.85Å; Y556-I560 HydrophobicContact CE1-CG2 3.72Å; Y556-I560 WeakPolarHBondContact O-CG2 3.34Å; Y556-I560 PolarHBondContact O-N 3.11Å; E557-I560 VanDerWaalsContact O-CG1 3.31Å; E557-I560 WeakPolarHBondContact O-CG1 3.36Å; E557-I560 PolarHBondContact O-N 3.29Å; E557-I560 VanDerWaalsContact OE2-CD1 3.29Å; E557-I560 WeakPolarHBondContact OE2-CD1 3.37Å; I560-G562 PolarHBondContact O-N 2.79Å; I560-V616 HydrophobicContact CG2-CG1 3.98Å
561	T	79.6	Confident	75	Confident	77 Å²	77	57.3 Å²	57.3	47%	0.472	30%	0.298	S	S	.	.	H	α-helix	trans	-75.9	-10.4	178.5	56	0	0	0	0	112.7	E557 K558 Q563	E557-T561 WeakPolarHBondContact O-CB 3.38Å; E557-T561 VanDerWaalsContact O-CG2 3.26Å; E557-T561 WeakPolarHBondContact O-CG2 3.33Å; E557-T561 PolarHBondContact O-N 3.33Å; E557-T561 PolarHBondContact O-OG1 3.07Å; K558-T561 PolarHBondContact O-OG1 3.25Å; T561-Q563 PolarHBondContact O-N 2.84Å; T561-Q563 WeakPolarHBondContact OG1-CG 3.44Å
562	G	71.6	Confident	75.4	Confident	49 Å²	49	59.4 Å²	59.4	51%	0.505	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	15.4	-176.3	0	0	0	0	0	113.2	K558 I560	K558-G562 PolarHBondContact O-N 2.8Å; K558-G562 VanDerWaalsContact O-N 3.1Å; I560-G562 PolarHBondContact O-N 2.79Å
563	Q	68.7	Low	75.7	Confident	103 Å²	103	64.6 Å²	64.6	48%	0.481	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-71.1	137.2	176.4	-72.9	-178.5	10.4	0	0	110.3	K558 T561	K558-Q563 HydrophobicContact CD-CB 3.47Å; K558-Q563 VanDerWaalsContact CD-CB 3.47Å; K558-Q563 HydrophobicContact CD-CG 4.44Å; K558-Q563 VanDerWaalsContact CE-OE1 3.31Å; K558-Q563 PolarHBondContact O-N 2.78Å; K558-Q563 VanDerWaalsContact O-N 3.16Å; T561-Q563 PolarHBondContact O-N 2.84Å; T561-Q563 WeakPolarHBondContact OG1-CG 3.44Å
564	E	67.6	Low	76.1	Confident	112 Å²	112	69.3 Å²	69.3	52%	0.523	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-65.2	141.8	-179.8	-66.6	-176.1	173	0	0	111.9	K576	E564-K576 WeakPolarHBondContact OE1-CE 3.29Å; E564-K576 IonicContact OE1-NZ 2.82Å; E564-K576 PolarHBondContact OE1-NZ 3.44Å
565	F	68.7	Low	76.5	Confident	17 Å²	17	67.4 Å²	67.4	8%	0.075	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-69.3	129.6	166.5	-66.4	-76.8	0	0	0	108	I555 K558 V559 L567 V579 A583	I555-F565 HydrophobicContact CB-CE1 4.46Å; I555-F565 HydrophobicContact CG1-CE1 4.34Å; I555-F565 HydrophobicContact CG2-CE1 3.75Å; I555-F565 HydrophobicContact CG2-CZ 3.9Å; K558-F565 HydrophobicContact CB-CE1 4.19Å; V559-F565 HydrophobicContact CG2-CE2 4.24Å; V559-F565 HydrophobicContact CG2-CZ 3.63Å; F565-L567 PolarHBondContact O-N 3.41Å; F565-V579 HydrophobicContact CD2-CG1 3.44Å; F565-V579 VanDerWaalsContact CD2-CG1 3.44Å; F565-V579 HydrophobicContact CE2-CG1 3.9Å; F565-V579 HydrophobicContact CG-CG1 4.21Å; F565-A583 HydrophobicContact CE2-CB 4.06Å; F565-A583 HydrophobicContact CZ-CB 3.81Å
566	V	59	Low	76.9	Confident	104 Å²	104	69.8 Å²	69.8	63%	0.63	36%	0.362	S	S	*	.			trans	-74.5	75.7	179.3	-172.8	0	0	0	0	108.7
567	L	62.2	Low	77.2	Confident	23 Å²	23	73.2 Å²	73.2	12%	0.12	38%	0.379	C	S	.	.			trans	-87.9	137.8	161.3	-64.6	174	0	0	0	106.5	M434 F565 R569 M571 V579	M434-L567 HydrophobicContact CE-CD1 3.96Å; M434-L567 HydrophobicContact CE-CD2 4.2Å; F565-L567 PolarHBondContact O-N 3.41Å; L567-R569 PolarHBondContact O-N 3.42Å; L567-M571 HydrophobicContact CD1-CE 4.24Å; L567-M571 HydrophobicContact CD1-SD 3.85Å; L567-V579 HydrophobicContact CD1-CG2 4.41Å
568	S	59.8	Low	77.6	Confident	95 Å²	95	71.7 Å²	71.7	66%	0.664	37%	0.373	S	S	*	.	S	Bend	trans	-64.4	1.6	-172.4	53.4	0	0	0	0	115.2	L428	L428-S568 WeakPolarHBondContact CD1-OG 3.05Å
569	R	69.6	Low	78.1	Confident	113 Å²	113	70.3 Å²	70.3	43%	0.426	37%	0.367	S	S	.	.	S	Bend	trans	-122.5	137.1	-174	-170.4	-175.7	69.1	112.3	6.8	110.2	L567 M571 E575	L567-R569 PolarHBondContact O-N 3.42Å; R569-M571 PolarHBondContact O-N 3.2Å; R569-E575 IonicContact CZ-OE1 2.7Å; R569-E575 IonicContact CZ-OE2 3.64Å; R569-E575 IonicContact NH1-OE1 3.61Å; R569-E575 PolarHBondContact NH1-OE1 2.85Å; R569-E575 IonicContact NH1-OE2 2.74Å; R569-E575 IonicContact NH2-OE1 2.82Å; R569-E575 PolarHBondContact NH2-OE1 3.13Å; R569-E575 IonicContact NH2-OE2 3.66Å; R569-E575 PolarHBondContact NH2-OE2 2.77Å
570	E	73.2	Confident	78.5	Confident	187 Å²	187	75.2 Å²	75.2	87%	0.874	39%	0.385	S	S	*	.			trans	-61.5	128.2	169.1	-165.2	168.9	-166.3	0	0	110
571	M	81.8	Confident	79.2	Confident	22 Å²	22	72.8 Å²	72.8	11%	0.108	37%	0.371	C	S	.	.			trans	-108.1	144.5	-175.3	-70.9	-175.7	-74.3	0	0	111.2	P431 L567 R569 E575 K576 V579	P431-M571 HydrophobicContact CG-CG 4.39Å; P431-M571 HydrophobicContact CG-SD 3.91Å; L567-M571 HydrophobicContact CD1-CE 4.24Å; L567-M571 HydrophobicContact CD1-SD 3.85Å; R569-M571 PolarHBondContact O-N 3.2Å; M571-E575 WeakPolarHBondContact CA-OE2 3.28Å; M571-E575 HydrophobicContact CB-CB 4Å; M571-E575 HydrophobicContact CG-CB 4.42Å; M571-K576 HydrophobicContact CB-CG 3.97Å; M571-K576 HydrophobicContact CE-CG 4.4Å; M571-K576 WeakPolarHBondContact O-CE 3.44Å; M571-V579 HydrophobicContact SD-CG2 3.94Å
572	T	88.3	Confident	79.9	Confident	68 Å²	68	69.2 Å²	69.2	42%	0.417	35%	0.349	S	S	.	.			trans	-69.1	163.2	169	82.3	0	0	0	0	111.2	E574 E575 K576	T572-E574 VanDerWaalsContact C-N 3.26Å; T572-E574 VanDerWaalsContact CB-OE2 3.24Å; T572-E574 WeakPolarHBondContact CB-OE2 3.22Å; T572-E574 PolarHBondContact O-N 2.86Å; T572-E574 PolarHBondContact OG1-N 3.39Å; T572-E574 PolarHBondContact OG1-OE2 3.42Å; T572-E575 PolarHBondContact N-OE2 3.26Å; T572-E575 WeakPolarHBondContact O-CB 3.29Å; T572-E575 PolarHBondContact O-N 2.95Å; T572-E575 VanDerWaalsContact O-N 3.13Å; T572-E575 WeakPolarHBondContact OG1-CG 3.33Å; T572-E575 PolarHBondContact OG1-N 3.21Å; T572-K576 WeakPolarHBondContact O-CG 3.13Å; T572-K576 PolarHBondContact O-N 2.95Å
573	E	87.6	Confident	81	Confident	109 Å²	109	66.9 Å²	66.9	51%	0.509	33%	0.325	S	S	.	.	H	α-helix	trans	-62	-35.1	176.9	-74.3	-57.6	131.4	0	0	112.4	E575 K576 Q577	E573-E575 VanDerWaalsContact C-N 3.35Å; E573-K576 PolarHBondContact O-N 3.46Å; E573-K576 WeakPolarHBondContact OE1-CD 3.45Å; E573-K576 WeakPolarHBondContact OE1-CE 3.13Å; E573-K576 IonicContact OE1-NZ 2.66Å; E573-K576 PolarHBondContact OE1-NZ 3.19Å; E573-Q577 WeakPolarHBondContact O-CG 3.26Å; E573-Q577 PolarHBondContact O-N 3.05Å
574	E	89.1	Confident	82.2	Confident	124 Å²	124	62.2 Å²	62.2	58%	0.579	30%	0.304	S	S	*	.	H	α-helix	trans	-63.3	-43	173.4	-57.6	76.4	-163.9	0	0	111.1	T572 Q577 M578	T572-E574 VanDerWaalsContact C-N 3.26Å; T572-E574 VanDerWaalsContact CB-OE2 3.24Å; T572-E574 WeakPolarHBondContact CB-OE2 3.22Å; T572-E574 PolarHBondContact O-N 2.86Å; T572-E574 PolarHBondContact OG1-N 3.39Å; T572-E574 PolarHBondContact OG1-OE2 3.42Å; E574-Q577 PolarHBondContact O-N 2.95Å; E574-M578 HydrophobicContact CB-CE 4.48Å; E574-M578 WeakPolarHBondContact O-CG 3.5Å; E574-M578 PolarHBondContact O-N 3.12Å
575	E	89.6	Confident	83.6	Confident	14 Å²	14	57 Å²	57	7%	0.065	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-42.2	176.9	-75	-177.9	145.3	0	0	112.3	P431 R569 M571 T572 E573 Q577 M578 V579	P431-E575 HydrophobicContact CB-CB 4.02Å; P431-E575 HydrophobicContact CB-CG 4.1Å; P431-E575 HydrophobicContact CG-CB 3.92Å; P431-E575 HydrophobicContact CG-CG 4.13Å; R569-E575 IonicContact CZ-OE1 2.7Å; R569-E575 IonicContact CZ-OE2 3.64Å; R569-E575 IonicContact NH1-OE1 3.61Å; R569-E575 PolarHBondContact NH1-OE1 2.85Å; R569-E575 IonicContact NH1-OE2 2.74Å; R569-E575 IonicContact NH2-OE1 2.82Å; R569-E575 PolarHBondContact NH2-OE1 3.13Å; R569-E575 IonicContact NH2-OE2 3.66Å; R569-E575 PolarHBondContact NH2-OE2 2.77Å; M571-E575 WeakPolarHBondContact CA-OE2 3.28Å; M571-E575 HydrophobicContact CB-CB 4Å; M571-E575 HydrophobicContact CG-CB 4.42Å; T572-E575 PolarHBondContact N-OE2 3.26Å; T572-E575 WeakPolarHBondContact O-CB 3.29Å; T572-E575 PolarHBondContact O-N 2.95Å; T572-E575 VanDerWaalsContact O-N 3.13Å; T572-E575 WeakPolarHBondContact OG1-CG 3.33Å; T572-E575 PolarHBondContact OG1-N 3.21Å; E573-E575 VanDerWaalsContact C-N 3.35Å; E575-Q577 VanDerWaalsContact C-N 3.32Å; E575-Q577 PolarHBondContact O-N 3.11Å; E575-M578 HydrophobicContact CB-CE 4.39Å; E575-M578 HydrophobicContact CG-CE 3.92Å; E575-M578 WeakPolarHBondContact O-CB 3.33Å; E575-M578 PolarHBondContact O-N 3.25Å; E575-V579 WeakPolarHBondContact O-CG2 3.24Å; E575-V579 PolarHBondContact O-N 3.05Å
576	K	87.9	Confident	84.9	Confident	51 Å²	51	56.2 Å²	56.2	22%	0.222	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-42.1	173.8	-67.8	177.1	-164.1	179.9	0	111.7	E564 M571 T572 E573 V579 R580	E564-K576 WeakPolarHBondContact OE1-CE 3.29Å; E564-K576 IonicContact OE1-NZ 2.82Å; E564-K576 PolarHBondContact OE1-NZ 3.44Å; M571-K576 HydrophobicContact CB-CG 3.97Å; M571-K576 HydrophobicContact CE-CG 4.4Å; M571-K576 WeakPolarHBondContact O-CE 3.44Å; T572-K576 WeakPolarHBondContact O-CG 3.13Å; T572-K576 PolarHBondContact O-N 2.95Å; E573-K576 PolarHBondContact O-N 3.46Å; E573-K576 WeakPolarHBondContact OE1-CD 3.45Å; E573-K576 WeakPolarHBondContact OE1-CE 3.13Å; E573-K576 IonicContact OE1-NZ 2.66Å; E573-K576 PolarHBondContact OE1-NZ 3.19Å; K576-V579 PolarHBondContact O-N 3.22Å; K576-R580 VanDerWaalsContact O-CB 3.31Å; K576-R580 WeakPolarHBondContact O-CB 3.33Å; K576-R580 PolarHBondContact O-N 3.2Å
577	Q	90	Very high	86.7	Confident	96 Å²	96	51.3 Å²	51.3	45%	0.449	25%	0.246	S	C	.	.	H	α-helix	trans	-63.2	-40.5	175.6	-72.5	-179.8	21.3	0	0	111.9	E573 E574 E575 R580 Q581 L611	E573-Q577 WeakPolarHBondContact O-CG 3.26Å; E573-Q577 PolarHBondContact O-N 3.05Å; E574-Q577 PolarHBondContact O-N 2.95Å; E575-Q577 VanDerWaalsContact C-N 3.32Å; E575-Q577 PolarHBondContact O-N 3.11Å; Q577-R580 PolarHBondContact O-N 2.86Å; Q577-Q581 VanDerWaalsContact O-CB 3.31Å; Q577-Q581 WeakPolarHBondContact O-CB 3.33Å; Q577-Q581 PolarHBondContact O-N 3.47Å; Q577-L611 HydrophobicContact CB-CD2 4.09Å; Q577-L611 HydrophobicContact CG-CD2 4.18Å
578	M	92	Very high	88.3	Confident	32 Å²	32	53 Å²	53	16%	0.158	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-48.1	175.4	-74.5	-174.4	-86	0	0	112.2	N432 L435 E574 E575 R580 Q581 L582	N432-M578 WeakPolarHBondContact OD1-CE 3.36Å; N432-M578 PolarHBondContact OD1-SD 3.42Å; L435-M578 HydrophobicContact CD2-CG 4.4Å; L435-M578 HydrophobicContact CD2-SD 3.9Å; E574-M578 HydrophobicContact CB-CE 4.48Å; E574-M578 WeakPolarHBondContact O-CG 3.5Å; E574-M578 PolarHBondContact O-N 3.12Å; E575-M578 HydrophobicContact CB-CE 4.39Å; E575-M578 HydrophobicContact CG-CE 3.92Å; E575-M578 WeakPolarHBondContact O-CB 3.33Å; E575-M578 PolarHBondContact O-N 3.25Å; M578-R580 VanDerWaalsContact C-N 3.34Å; M578-R580 PolarHBondContact O-N 3.36Å; M578-Q581 WeakPolarHBondContact O-CB 3.4Å; M578-Q581 PolarHBondContact O-N 2.84Å; M578-L582 WeakPolarHBondContact O-CG 3.5Å; M578-L582 PolarHBondContact O-N 3.2Å
579	V	91	Very high	90.1	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-44.2	177.7	177.4	0	0	0	0	110.7	P431 V533 F565 L567 M571 E575 K576 Q581 L582 A583	P431-V579 HydrophobicContact CB-CG2 3.87Å; P431-V579 HydrophobicContact CG-CG2 3.87Å; V533-V579 HydrophobicContact CB-CG1 3.91Å; V533-V579 HydrophobicContact CG1-CG1 4.22Å; F565-V579 HydrophobicContact CD2-CG1 3.44Å; F565-V579 VanDerWaalsContact CD2-CG1 3.44Å; F565-V579 HydrophobicContact CE2-CG1 3.9Å; F565-V579 HydrophobicContact CG-CG1 4.21Å; L567-V579 HydrophobicContact CD1-CG2 4.41Å; M571-V579 HydrophobicContact SD-CG2 3.94Å; E575-V579 WeakPolarHBondContact O-CG2 3.24Å; E575-V579 PolarHBondContact O-N 3.05Å; K576-V579 PolarHBondContact O-N 3.22Å; V579-Q581 VanDerWaalsContact C-N 3.35Å; V579-Q581 PolarHBondContact O-N 3.34Å; V579-L582 PolarHBondContact O-N 3.2Å; V579-A583 WeakPolarHBondContact O-CB 3.41Å; V579-A583 PolarHBondContact O-N 3.22Å
580	R	91.3	Very high	91.3	Very high	109 Å²	109	43.4 Å²	43.4	41%	0.411	20%	0.201	S	C	.	.	H	α-helix	trans	-61.7	-41.6	176.6	-173.4	175.5	-174.2	163.6	5.8	112.2	K576 Q577 M578 A583 L584	K576-R580 VanDerWaalsContact O-CB 3.31Å; K576-R580 WeakPolarHBondContact O-CB 3.33Å; K576-R580 PolarHBondContact O-N 3.2Å; Q577-R580 PolarHBondContact O-N 2.86Å; M578-R580 VanDerWaalsContact C-N 3.34Å; M578-R580 PolarHBondContact O-N 3.36Å; R580-A583 PolarHBondContact O-N 3.37Å; R580-L584 HydrophobicContact CG-CD1 4.42Å; R580-L584 WeakPolarHBondContact O-CG 3.24Å; R580-L584 PolarHBondContact O-N 3.16Å
581	Q	94.3	Very high	92.3	Very high	21 Å²	21	34.8 Å²	34.8	10%	0.098	16%	0.16	C	C	.	.	H	α-helix	trans	-61.3	-49.3	176.4	-177.5	166	-5.1	0	0	111.3	Q577 M578 V579 A583 L584 V585 M606 I607 G609 L611 I614	Q577-Q581 VanDerWaalsContact O-CB 3.31Å; Q577-Q581 WeakPolarHBondContact O-CB 3.33Å; Q577-Q581 PolarHBondContact O-N 3.47Å; M578-Q581 WeakPolarHBondContact O-CB 3.4Å; M578-Q581 PolarHBondContact O-N 2.84Å; V579-Q581 VanDerWaalsContact C-N 3.35Å; V579-Q581 PolarHBondContact O-N 3.34Å; Q581-A583 VanDerWaalsContact C-N 3.33Å; Q581-A583 PolarHBondContact O-N 2.83Å; Q581-L584 PolarHBondContact O-N 3.31Å; Q581-V585 VanDerWaalsContact O-CG2 3.31Å; Q581-V585 WeakPolarHBondContact O-CG2 3.43Å; Q581-V585 PolarHBondContact O-N 3.1Å; Q581-M606 PolarHBondContact NE2-O 3.06Å; Q581-I607 PolarHBondContact NE2-O 3.1Å; Q581-G609 PolarHBondContact NE2-O 3.24Å; Q581-L611 HydrophobicContact CB-CD1 3.92Å; Q581-L611 HydrophobicContact CG-CD1 4.41Å; Q581-I614 HydrophobicContact CG-CD1 3.76Å
582	L	95.6	Very high	92.7	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-59.8	-43.2	176.7	-71.8	177	0	0	0	111.9	M434 L435 A438 V529 V533 M578 V579 V585 A586 I607	M434-L582 HydrophobicContact CB-CD1 3.99Å; L435-L582 HydrophobicContact CB-CD1 4.48Å; L435-L582 HydrophobicContact CD1-CD2 3.99Å; L435-L582 HydrophobicContact CD1-CG 4.41Å; A438-L582 HydrophobicContact CB-CD2 3.65Å; V529-L582 HydrophobicContact CG1-CB 4Å; V533-L582 HydrophobicContact CG1-CB 3.71Å; V533-L582 HydrophobicContact CG1-CD1 4.23Å; M578-L582 WeakPolarHBondContact O-CG 3.5Å; M578-L582 PolarHBondContact O-N 3.2Å; V579-L582 PolarHBondContact O-N 3.2Å; L582-V585 PolarHBondContact O-N 2.97Å; L582-A586 VanDerWaalsContact O-CB 3.3Å; L582-A586 WeakPolarHBondContact O-CB 3.47Å; L582-A586 PolarHBondContact O-N 2.99Å; L582-I607 HydrophobicContact CD2-CG1 4.44Å
583	A	93.4	Very high	92.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-45.9	176.8	0	0	0	0	0	111.9	V533 V559 F565 V579 R580 Q581 V585 A586 L587	V533-A583 HydrophobicContact CG2-CB 4.25Å; V559-A583 HydrophobicContact CG2-CB 3.68Å; F565-A583 HydrophobicContact CE2-CB 4.06Å; F565-A583 HydrophobicContact CZ-CB 3.81Å; V579-A583 WeakPolarHBondContact O-CB 3.41Å; V579-A583 PolarHBondContact O-N 3.22Å; R580-A583 PolarHBondContact O-N 3.37Å; Q581-A583 VanDerWaalsContact C-N 3.33Å; Q581-A583 PolarHBondContact O-N 2.83Å; A583-V585 PolarHBondContact O-N 3.13Å; A583-A586 PolarHBondContact O-N 3.11Å; A583-L587 WeakPolarHBondContact O-CB 3.24Å; A583-L587 VanDerWaalsContact O-CG 3.24Å; A583-L587 WeakPolarHBondContact O-CG 3.33Å; A583-L587 PolarHBondContact O-N 3.01Å
584	L	94.5	Very high	93	Very high	6 Å²	6	32.3 Å²	32.3	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-62	-44.4	176.8	-75.6	171.6	0	0	0	112.5	V559 R580 Q581 A586 L587 W588 L611 I614 V616	V559-L584 HydrophobicContact CG1-CD2 3.56Å; V559-L584 HydrophobicContact CG1-CG 3.94Å; R580-L584 HydrophobicContact CG-CD1 4.42Å; R580-L584 WeakPolarHBondContact O-CG 3.24Å; R580-L584 PolarHBondContact O-N 3.16Å; Q581-L584 PolarHBondContact O-N 3.31Å; L584-A586 VanDerWaalsContact C-N 3.3Å; L584-A586 PolarHBondContact O-N 3.1Å; L584-L587 PolarHBondContact O-N 3.17Å; L584-W588 VanDerWaalsContact O-CD1 3.31Å; L584-W588 PolarHBondContact O-N 3.44Å; L584-L611 HydrophobicContact CD1-CD1 3.65Å; L584-I614 HydrophobicContact CB-CG2 3.91Å; L584-I614 HydrophobicContact CD1-CG2 4.35Å; L584-V616 HydrophobicContact CD2-CB 4.45Å; L584-V616 HydrophobicContact CD2-CG1 4.47Å; L584-V616 HydrophobicContact CD2-CG2 4.16Å
585	V	97.1	Very high	93.2	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.012	15%	0.151	C	C	.	.	H	α-helix	trans	-58.6	-46.2	175	173.1	0	0	0	0	110.4	Q581 L582 A583 L587 W588 C589 V603 M606 I607 I614	Q581-V585 VanDerWaalsContact O-CG2 3.31Å; Q581-V585 WeakPolarHBondContact O-CG2 3.43Å; Q581-V585 PolarHBondContact O-N 3.1Å; L582-V585 PolarHBondContact O-N 2.97Å; A583-V585 PolarHBondContact O-N 3.13Å; V585-L587 PolarHBondContact O-N 3.42Å; V585-W588 WeakPolarHBondContact O-CB 3.01Å; V585-W588 PolarHBondContact O-N 2.93Å; V585-C589 PolarHBondContact O-N 2.86Å; V585-C589 VanDerWaalsContact O-N 3.09Å; V585-C589 PolarHBondContact O-SG 2.95Å; V585-V603 HydrophobicContact CG1-CG1 3.82Å; V585-M606 HydrophobicContact CG2-CB 3.68Å; V585-M606 HydrophobicContact CG2-CE 4.15Å; V585-I607 HydrophobicContact CG1-CD1 4.39Å; V585-I607 HydrophobicContact CG1-CG1 4.03Å; V585-I607 HydrophobicContact CG2-CG1 4.23Å; V585-I614 HydrophobicContact CG2-CD1 3.96Å
586	A	96.6	Very high	93.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.7	-39.8	179.6	0	0	0	0	0	112.3	V529 L530 L582 A583 L584 W588 C589 I590	V529-A586 HydrophobicContact CB-CB 3.86Å; V529-A586 HydrophobicContact CG1-CB 3.8Å; L530-A586 HydrophobicContact CD2-CB 3.68Å; L530-A586 HydrophobicContact CG-CB 3.78Å; L582-A586 VanDerWaalsContact O-CB 3.3Å; L582-A586 WeakPolarHBondContact O-CB 3.47Å; L582-A586 PolarHBondContact O-N 2.99Å; A583-A586 PolarHBondContact O-N 3.11Å; L584-A586 VanDerWaalsContact C-N 3.3Å; L584-A586 PolarHBondContact O-N 3.1Å; A586-W588 VanDerWaalsContact C-N 3.32Å; A586-W588 PolarHBondContact O-N 3.03Å; A586-C589 WeakPolarHBondContact O-CA 3.26Å; A586-C589 VanDerWaalsContact O-CB 3.3Å; A586-C589 WeakPolarHBondContact O-CB 3.09Å; A586-C589 PolarHBondContact O-N 3.09Å; A586-I590 PolarHBondContact O-N 2.8Å; A586-I590 VanDerWaalsContact O-N 3.14Å
587	L	95.1	Very high	93.8	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-63.6	-34	174.9	-71.1	171.4	0	0	0	112.8	L530 Y556 V559 A583 L584 V585 C589 I590 Q591 P617	L530-L587 HydrophobicContact CD2-CD2 4.3Å; L530-L587 HydrophobicContact CD2-CG 4.35Å; Y556-L587 HydrophobicContact CD2-CD1 4.01Å; Y556-L587 HydrophobicContact CD2-CD2 4.2Å; V559-L587 HydrophobicContact CB-CD1 4.19Å; V559-L587 HydrophobicContact CG1-CD1 4.32Å; V559-L587 HydrophobicContact CG2-CD1 4.04Å; A583-L587 WeakPolarHBondContact O-CB 3.24Å; A583-L587 VanDerWaalsContact O-CG 3.24Å; A583-L587 WeakPolarHBondContact O-CG 3.33Å; A583-L587 PolarHBondContact O-N 3.01Å; L584-L587 PolarHBondContact O-N 3.17Å; V585-L587 PolarHBondContact O-N 3.42Å; L587-C589 VanDerWaalsContact C-N 3.33Å; L587-I590 HydrophobicContact CD2-CD1 4.1Å; L587-I590 WeakPolarHBondContact O-CG1 3.27Å; L587-Q591 PolarHBondContact O-NE2 3.02Å; L587-P617 HydrophobicContact CB-CG 3.46Å; L587-P617 VanDerWaalsContact CB-CG 3.46Å
588	W	97	Very high	94.2	Very high	60 Å²	60	33 Å²	33	23%	0.227	14%	0.143	C	C	.	.	H	α-helix	trans	-66.5	-35.7	169.2	-86.8	105.1	0	0	0	112.3	L584 V585 A586 I590 Q591 P598 M606 Q615 P617	L584-W588 VanDerWaalsContact O-CD1 3.31Å; L584-W588 PolarHBondContact O-N 3.44Å; V585-W588 WeakPolarHBondContact O-CB 3.01Å; V585-W588 PolarHBondContact O-N 2.93Å; A586-W588 VanDerWaalsContact C-N 3.32Å; A586-W588 PolarHBondContact O-N 3.03Å; W588-I590 VanDerWaalsContact C-N 3.34Å; W588-I590 PolarHBondContact O-N 2.95Å; W588-Q591 WeakPolarHBondContact O-CG 2.83Å; W588-P598 HydrophobicContact CB-CG 4.25Å; W588-P598 WeakPolarHBondContact O-CD 3.04Å; W588-M606 HydrophobicContact CB-CE 4.09Å; W588-M606 VanDerWaalsContact CD1-CE 3.48Å; W588-M606 HydrophobicContact CG-CE 3.83Å; W588-Q615 PolarHBondContact NE1-O 3.42Å; W588-P617 HydrophobicContact CD2-CB 3.69Å; W588-P617 HydrophobicContact CE3-CB 4.15Å; W588-P617 HydrophobicContact CG-CB 3.92Å; W588-P617 HydrophobicContact CG-CG 4.29Å; W588-P617 HydrophobicContact CZ2-CB 4.08Å
589	C	97.7	Very high	94.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-70	-26.4	179.6	-70.2	0	0	0	0	113.8	V522 Y523 V585 A586 L587 R597 V603	V522-C589 HydrophobicContact CG1-CB 3.86Å; V522-C589 WeakPolarHBondContact O-CB 3.13Å; Y523-C589 WeakPolarHBondContact CA-O 3.43Å; V585-C589 PolarHBondContact O-N 2.86Å; V585-C589 VanDerWaalsContact O-N 3.09Å; V585-C589 PolarHBondContact O-SG 2.95Å; A586-C589 WeakPolarHBondContact O-CA 3.26Å; A586-C589 VanDerWaalsContact O-CB 3.3Å; A586-C589 WeakPolarHBondContact O-CB 3.09Å; A586-C589 PolarHBondContact O-N 3.09Å; L587-C589 VanDerWaalsContact C-N 3.33Å; C589-R597 WeakPolarHBondContact O-CD 3.43Å; C589-R597 VanDerWaalsContact O-CG 3.27Å; C589-R597 WeakPolarHBondContact O-CG 3.1Å; C589-V603 VanDerWaalsContact SG-CG2 3.54Å
590	I	94.9	Very high	94.7	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.026	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	15.6	-174.8	63.4	152.5	0	0	0	115	Y523 M527 L530 P552 A586 L587 W588 W592 F621	Y523-I590 HydrophobicContact CD2-CB 3.99Å; Y523-I590 HydrophobicContact CD2-CG2 4.24Å; Y523-I590 HydrophobicContact CE2-CB 3.84Å; Y523-I590 HydrophobicContact CE2-CG2 4.24Å; M527-I590 HydrophobicContact CG-CG2 4.05Å; M527-I590 HydrophobicContact SD-CG2 3.81Å; L530-I590 HydrophobicContact CD1-CD1 3.74Å; L530-I590 HydrophobicContact CD1-CG1 4.43Å; L530-I590 HydrophobicContact CD1-CG2 4.36Å; P552-I590 HydrophobicContact CB-CD1 3.57Å; P552-I590 HydrophobicContact CG-CD1 4.28Å; A586-I590 PolarHBondContact O-N 2.8Å; A586-I590 VanDerWaalsContact O-N 3.14Å; L587-I590 HydrophobicContact CD2-CD1 4.1Å; L587-I590 WeakPolarHBondContact O-CG1 3.27Å; W588-I590 VanDerWaalsContact C-N 3.34Å; W588-I590 PolarHBondContact O-N 2.95Å; I590-W592 PolarHBondContact O-N 2.81Å; I590-F621 HydrophobicContact CD1-CZ 4.19Å
591	Q	94.1	Very high	95	Very high	6 Å²	6	29.4 Å²	29.4	3%	0.028	14%	0.136	C	C	.	.			trans	-56.8	137.9	177.7	-66.1	-63.9	-52.5	0	0	111.6	L587 W588 N593 N596 R597 P618	L587-Q591 PolarHBondContact O-NE2 3.02Å; W588-Q591 WeakPolarHBondContact O-CG 2.83Å; Q591-N593 PolarHBondContact O-N 2.78Å; Q591-N596 HydrophobicContact CB-CB 3.99Å; Q591-N596 HydrophobicContact CG-CB 4.34Å; Q591-R597 HydrophobicContact CB-CG 4Å; Q591-R597 PolarHBondContact O-NE 3.43Å; Q591-R597 PolarHBondContact O-NH2 3.38Å; Q591-P618 PolarHBondContact NE2-O 2.8Å
592	W	89.2	Confident	95.2	Very high	74 Å²	74	34 Å²	34	28%	0.28	16%	0.156	S	C	.	.	S	Bend	trans	-57.1	-49.6	-176.1	-76.2	101.2	0	0	0	112.7	P506 F513 I590 P594 R597 P620	P506-W592 HydrophobicContact CB-CE3 3.59Å; P506-W592 HydrophobicContact CB-CZ3 3.65Å; P506-W592 HydrophobicContact CG-CD2 4.34Å; P506-W592 HydrophobicContact CG-CE3 3.3Å; P506-W592 HydrophobicContact CG-CH2 4.43Å; P506-W592 HydrophobicContact CG-CZ3 3.36Å; F513-W592 HydrophobicContact CD1-CD2 4.4Å; F513-W592 AromaticContact CD1-CE3 3.55Å; F513-W592 HydrophobicContact CD1-CE3 3.55Å; F513-W592 HydrophobicContact CD1-CZ3 4.18Å; F513-W592 HydrophobicContact CE1-CD2 4.18Å; F513-W592 AromaticContact CE1-CE3 3.35Å; F513-W592 HydrophobicContact CE1-CE3 3.35Å; F513-W592 AromaticContact CE1-CZ3 3.64Å; F513-W592 HydrophobicContact CE1-CZ3 3.64Å; F513-W592 HydrophobicContact CG-CE3 4.38Å; F513-W592 HydrophobicContact CZ-CE3 4.06Å; F513-W592 AromaticContact CZ-CZ3 3.86Å; F513-W592 HydrophobicContact CZ-CZ3 3.86Å; I590-W592 PolarHBondContact O-N 2.81Å; W592-P594 VanDerWaalsContact O-CD 3.3Å; W592-P594 WeakPolarHBondContact O-CD 3.33Å; W592-R597 PolarHBondContact O-NH2 2.87Å; W592-R597 VanDerWaalsContact O-NH2 3.07Å; W592-P620 VanDerWaalsContact CD1-C 3.47Å; W592-P620 PolarHBondContact NE1-O 1.99Å
593	N	90.7	Very high	95.3	Very high	69 Å²	69	33.9 Å²	33.9	37%	0.369	16%	0.155	S	C	.	.	S	Bend	trans	-75.7	118.3	175.8	-172.2	-26.7	0	0	0	109.7	Q591 R595 N596	Q591-N593 PolarHBondContact O-N 2.78Å; N593-R595 PolarHBondContact O-N 2.81Å; N593-R595 WeakPolarHBondContact OD1-CB 3.35Å; N593-R595 PolarHBondContact OD1-N 3.39Å; N593-N596 PolarHBondContact O-N 2.98Å
594	P	93	Very high	95.5	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.032	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-55.7	-27.5	179.5	-25.3	34.1	0	0	0	114.1	E507 F513 K519 W592 N596 R597	E507-P594 HydrophobicContact CB-CG 4.19Å; E507-P594 HydrophobicContact CG-CG 3.9Å; F513-P594 WeakPolarHBondContact O-CD 3.23Å; K519-P594 HydrophobicContact CB-CB 3.82Å; K519-P594 WeakPolarHBondContact CD-O 2.95Å; K519-P594 HydrophobicContact CG-CB 4.3Å; K519-P594 WeakPolarHBondContact CG-O 3.29Å; W592-P594 VanDerWaalsContact O-CD 3.3Å; W592-P594 WeakPolarHBondContact O-CD 3.33Å; P594-N596 VanDerWaalsContact C-N 3.26Å; P594-N596 PolarHBondContact O-N 3.23Å; P594-R597 PolarHBondContact O-N 3.34Å
595	R	91.9	Very high	95.7	Very high	194 Å²	194	38.5 Å²	38.5	73%	0.732	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-66.2	-27.3	178.2	-63.7	-176	178	178	0.7	113	E515 N593	E515-R595 IonicContact OE2-NH2 2.75Å; N593-R595 PolarHBondContact O-N 2.81Å; N593-R595 WeakPolarHBondContact OD1-CB 3.35Å; N593-R595 PolarHBondContact OD1-N 3.39Å
596	N	94.4	Very high	95.7	Very high	86 Å²	86	39.3 Å²	39.3	46%	0.46	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-85.4	-16	-179	-65.5	-10.7	0	0	0	112.8	Q591 N593 P594	Q591-N596 HydrophobicContact CB-CB 3.99Å; Q591-N596 HydrophobicContact CG-CB 4.34Å; N593-N596 PolarHBondContact O-N 2.98Å; P594-N596 VanDerWaalsContact C-N 3.26Å; P594-N596 PolarHBondContact O-N 3.23Å
597	R	96.6	Very high	95.8	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.019	19%	0.186	C	C	.	.	S	Bend	trans	-69.8	147.2	175.8	-57.2	173.8	-166.8	151.9	12.6	109.3	E507 K519 V522 C589 Q591 W592 P594	E507-R597 VanDerWaalsContact CD-NH1 3.33Å; E507-R597 IonicContact OE1-CZ 3.41Å; E507-R597 IonicContact OE1-NH1 3.19Å; E507-R597 PolarHBondContact OE1-NH1 3.18Å; E507-R597 IonicContact OE1-NH2 2.74Å; E507-R597 IonicContact OE2-CZ 3.54Å; E507-R597 IonicContact OE2-NH1 2.81Å; E507-R597 PolarHBondContact OE2-NH1 3.18Å; E507-R597 IonicContact OE2-NH2 2.77Å; E507-R597 PolarHBondContact OE2-NH2 3.08Å; K519-R597 HydrophobicContact CD-CB 4.19Å; K519-R597 PolarHBondContact NZ-O 3.15Å; K519-R597 PolarHBondContact O-NH1 3.5Å; V522-R597 HydrophobicContact CG1-CB 4.22Å; C589-R597 WeakPolarHBondContact O-CD 3.43Å; C589-R597 VanDerWaalsContact O-CG 3.27Å; C589-R597 WeakPolarHBondContact O-CG 3.1Å; Q591-R597 HydrophobicContact CB-CG 4Å; Q591-R597 PolarHBondContact O-NE 3.43Å; Q591-R597 PolarHBondContact O-NH2 3.38Å; W592-R597 PolarHBondContact O-NH2 2.87Å; W592-R597 VanDerWaalsContact O-NH2 3.07Å; P594-R597 PolarHBondContact O-N 3.34Å
598	P	97.6	Very high	95.8	Very high	15 Å²	15	43.4 Å²	43.4	10%	0.097	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-68	166.9	173.8	27.6	-34.5	0	0	0	112.4	K519 W588 K602 V603 M606	K519-P598 PolarHBondContact NZ-O 2.79Å; W588-P598 HydrophobicContact CB-CG 4.25Å; W588-P598 WeakPolarHBondContact O-CD 3.04Å; P598-K602 HydrophobicContact CB-CB 3.96Å; P598-K602 HydrophobicContact CB-CG 3.92Å; P598-V603 HydrophobicContact CB-CG2 3.99Å; P598-V603 HydrophobicContact CG-CG2 3.52Å; P598-M606 HydrophobicContact CB-SD 4.4Å
599	S	96.8	Very high	95.7	Very high	29 Å²	29	42 Å²	42	20%	0.203	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-80.9	160.6	162.4	63.2	0	0	0	0	109.7	T601 K602 V603	S599-T601 PolarHBondContact O-N 3.35Å; S599-K602 CarbonylContact O-C 3.26Å; S599-K602 WeakPolarHBondContact O-CA 3.37Å; S599-K602 WeakPolarHBondContact O-CB 2.98Å; S599-K602 PolarHBondContact O-N 2.83Å; S599-K602 PolarHBondContact OG-N 3.07Å; S599-V603 WeakPolarHBondContact O-CG2 3.16Å; S599-V603 PolarHBondContact O-N 3.15Å
600	M	97.8	Very high	95.5	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-32.1	177.4	-67.9	-49.6	-62.5	0	0	113.2	A442 M445 E446 H449 V522 F525 K602 V603 V604	A442-M600 VanDerWaalsContact CA-CE 3.45Å; A442-M600 HydrophobicContact CB-CE 3.66Å; M445-M600 HydrophobicContact CB-CE 3.92Å; M445-M600 HydrophobicContact CB-CG 3.85Å; M445-M600 HydrophobicContact CB-SD 4.4Å; M445-M600 HydrophobicContact CE-CE 4.07Å; M445-M600 HydrophobicContact CE-CG 4.16Å; M445-M600 HydrophobicContact CE-SD 3.79Å; M445-M600 HydrophobicContact CG-CE 4.5Å; M445-M600 HydrophobicContact SD-CE 3.93Å; M445-M600 HydrophobicContact SD-SD 4.44Å; E446-M600 HydrophobicContact CB-CB 3.95Å; H449-M600 WeakPolarHBondContact ND1-CG 3.49Å; V522-M600 HydrophobicContact CB-SD 4.39Å; V522-M600 HydrophobicContact CG1-SD 4.33Å; V522-M600 HydrophobicContact CG2-CG 4.19Å; V522-M600 HydrophobicContact CG2-SD 3.81Å; F525-M600 HydrophobicContact CD1-CE 4.16Å; F525-M600 HydrophobicContact CD2-CE 4.2Å; F525-M600 HydrophobicContact CE1-CE 4.37Å; F525-M600 HydrophobicContact CE2-CE 4.39Å; F525-M600 HydrophobicContact CG-CE 4.08Å; F525-M600 HydrophobicContact CZ-CE 4.47Å; M600-K602 VanDerWaalsContact C-N 3.34Å; M600-K602 PolarHBondContact O-N 3.34Å; M600-V603 HydrophobicContact CE-CB 4.16Å; M600-V603 HydrophobicContact CE-CG1 3.95Å; M600-V603 HydrophobicContact CE-CG2 4.47Å; M600-V603 WeakPolarHBondContact O-CB 3.31Å; M600-V603 PolarHBondContact O-N 2.96Å; M600-V603 HydrophobicContact SD-CB 4.35Å; M600-V603 HydrophobicContact SD-CG2 4.11Å; M600-V604 WeakPolarHBondContact O-CG2 3.47Å; M600-V604 PolarHBondContact O-N 3.18Å
601	T	97	Very high	95.2	Very high	37 Å²	37	51.9 Å²	51.9	23%	0.227	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-44.2	169	-51.5	0	0	0	0	112.5	E446 Q450 S599 V604 N605	E446-T601 WeakPolarHBondContact OE1-CA 3.32Å; E446-T601 WeakPolarHBondContact OE1-CB 3.22Å; E446-T601 VanDerWaalsContact OE1-CG2 3.3Å; E446-T601 WeakPolarHBondContact OE1-CG2 3.49Å; E446-T601 PolarHBondContact OE1-OG1 3.47Å; Q450-T601 PolarHBondContact OE1-OG1 2.82Å; Q450-T601 VanDerWaalsContact OE1-OG1 3.06Å; S599-T601 PolarHBondContact O-N 3.35Å; T601-V604 PolarHBondContact O-N 2.8Å; T601-N605 VanDerWaalsContact O-CG 3.25Å; T601-N605 PolarHBondContact O-N 3.07Å; T601-N605 PolarHBondContact O-ND2 3Å
602	K	97.7	Very high	95	Very high	116 Å²	116	58.5 Å²	58.5	50%	0.504	28%	0.284	S	S	.	.	H	α-helix	trans	-67.9	-37.8	176.6	-176.5	61	175.5	-179.1	0	111.2	P598 S599 M600 N605 M606	P598-K602 HydrophobicContact CB-CB 3.96Å; P598-K602 HydrophobicContact CB-CG 3.92Å; S599-K602 CarbonylContact O-C 3.26Å; S599-K602 WeakPolarHBondContact O-CA 3.37Å; S599-K602 WeakPolarHBondContact O-CB 2.98Å; S599-K602 PolarHBondContact O-N 2.83Å; S599-K602 PolarHBondContact OG-N 3.07Å; M600-K602 VanDerWaalsContact C-N 3.34Å; M600-K602 PolarHBondContact O-N 3.34Å; K602-N605 PolarHBondContact O-N 3.44Å; K602-M606 HydrophobicContact CD-CG 4.43Å; K602-M606 HydrophobicContact CG-CG 4.43Å; K602-M606 HydrophobicContact CG-SD 4.02Å; K602-M606 WeakPolarHBondContact O-CG 2.81Å; K602-M606 PolarHBondContact O-N 3.45Å
603	V	98.5	Very high	95.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59	-50	173.3	171.9	0	0	0	0	110.9	A442 F525 V585 C589 P598 S599 M600 N605 M606 I607	A442-V603 HydrophobicContact CB-CG1 4.09Å; F525-V603 HydrophobicContact CD1-CG1 4.26Å; F525-V603 HydrophobicContact CE1-CG1 3.47Å; F525-V603 VanDerWaalsContact CE1-CG1 3.47Å; F525-V603 HydrophobicContact CZ-CG1 3.9Å; V585-V603 HydrophobicContact CG1-CG1 3.82Å; C589-V603 VanDerWaalsContact SG-CG2 3.54Å; P598-V603 HydrophobicContact CB-CG2 3.99Å; P598-V603 HydrophobicContact CG-CG2 3.52Å; S599-V603 WeakPolarHBondContact O-CG2 3.16Å; S599-V603 PolarHBondContact O-N 3.15Å; M600-V603 HydrophobicContact CE-CB 4.16Å; M600-V603 HydrophobicContact CE-CG1 3.95Å; M600-V603 HydrophobicContact CE-CG2 4.47Å; M600-V603 WeakPolarHBondContact O-CB 3.31Å; M600-V603 PolarHBondContact O-N 2.96Å; M600-V603 HydrophobicContact SD-CB 4.35Å; M600-V603 HydrophobicContact SD-CG2 4.11Å; V603-N605 VanDerWaalsContact C-N 3.3Å; V603-N605 PolarHBondContact O-N 3.27Å; V603-M606 PolarHBondContact O-N 3.39Å; V603-M606 VanDerWaalsContact O-N 3.08Å; V603-I607 HydrophobicContact CG1-CD1 3.77Å; V603-I607 HydrophobicContact CG1-CG1 4.4Å; V603-I607 WeakPolarHBondContact O-CG1 3.45Å; V603-I607 PolarHBondContact O-N 2.91Å
604	V	98.1	Very high	95.3	Very high	12 Å²	12	58.7 Å²	58.7	7%	0.073	29%	0.29	C	S	.	.	H	α-helix	trans	-55.2	-47.5	175.8	170.3	0	0	0	0	110.4	L439 A442 R443 M600 T601 M606 I607 T608	L439-V604 HydrophobicContact CD1-CG1 4.07Å; A442-V604 HydrophobicContact CB-CG2 3.75Å; R443-V604 HydrophobicContact CG-CG2 4.16Å; M600-V604 WeakPolarHBondContact O-CG2 3.47Å; M600-V604 PolarHBondContact O-N 3.18Å; T601-V604 PolarHBondContact O-N 2.8Å; V604-M606 VanDerWaalsContact C-N 3.32Å; V604-M606 PolarHBondContact O-N 3.25Å; V604-I607 PolarHBondContact O-N 2.85Å; V604-T608 HydrophobicContact CG1-CG2 4.49Å; V604-T608 WeakPolarHBondContact O-CG2 3.3Å; V604-T608 PolarHBondContact O-N 3.33Å; V604-T608 PolarHBondContact O-OG1 2.8Å
605	N	97.7	Very high	95.2	Very high	92 Å²	92	65.9 Å²	65.9	49%	0.492	32%	0.323	S	S	.	.	H	α-helix	trans	-64.2	-32.7	177.9	-69.3	-21.1	0	0	0	113.7	T601 K602 V603 G609	T601-N605 VanDerWaalsContact O-CG 3.25Å; T601-N605 PolarHBondContact O-N 3.07Å; T601-N605 PolarHBondContact O-ND2 3Å; K602-N605 PolarHBondContact O-N 3.44Å; V603-N605 VanDerWaalsContact C-N 3.3Å; V603-N605 PolarHBondContact O-N 3.27Å; N605-G609 WeakPolarHBondContact O-CA 3.29Å; N605-G609 PolarHBondContact O-N 2.03Å
606	M	98.1	Very high	95.2	Very high	19 Å²	19	60.1 Å²	60.1	9%	0.094	31%	0.309	C	S	.	.	H	α-helix	trans	-73.7	-35.9	175.6	-67.5	164.5	72.6	0	0	111.3	Q581 V585 W588 P598 K602 V603 V604 I614	Q581-M606 PolarHBondContact NE2-O 3.06Å; V585-M606 HydrophobicContact CG2-CB 3.68Å; V585-M606 HydrophobicContact CG2-CE 4.15Å; W588-M606 HydrophobicContact CB-CE 4.09Å; W588-M606 VanDerWaalsContact CD1-CE 3.48Å; W588-M606 HydrophobicContact CG-CE 3.83Å; P598-M606 HydrophobicContact CB-SD 4.4Å; K602-M606 HydrophobicContact CD-CG 4.43Å; K602-M606 HydrophobicContact CG-CG 4.43Å; K602-M606 HydrophobicContact CG-SD 4.02Å; K602-M606 WeakPolarHBondContact O-CG 2.81Å; K602-M606 PolarHBondContact O-N 3.45Å; V603-M606 PolarHBondContact O-N 3.39Å; V603-M606 VanDerWaalsContact O-N 3.08Å; V604-M606 VanDerWaalsContact C-N 3.32Å; V604-M606 PolarHBondContact O-N 3.25Å; M606-I614 HydrophobicContact CB-CD1 4.12Å; M606-I614 HydrophobicContact CB-CG1 4.47Å; M606-I614 HydrophobicContact CE-CG2 3.81Å; M606-I614 WeakPolarHBondContact O-CD1 3.22Å
607	I	97.6	Very high	95	Very high	7 Å²	7	56.1 Å²	56.1	4%	0.036	29%	0.288	C	S	.	.	H	α-helix	trans	-69.9	-41.2	176.9	-67.2	172.2	0	0	0	111.3	L435 A438 L439 A442 F525 Q581 L582 V585 V603 V604	L435-I607 HydrophobicContact CD1-CG2 3.48Å; L435-I607 VanDerWaalsContact CD1-CG2 3.48Å; A438-I607 HydrophobicContact CB-CD1 4.34Å; L439-I607 HydrophobicContact CB-CG2 4.04Å; L439-I607 HydrophobicContact CD1-CB 4.45Å; L439-I607 HydrophobicContact CD1-CG2 4.07Å; A442-I607 HydrophobicContact CB-CD1 4.13Å; F525-I607 HydrophobicContact CZ-CD1 4.05Å; Q581-I607 PolarHBondContact NE2-O 3.1Å; L582-I607 HydrophobicContact CD2-CG1 4.44Å; V585-I607 HydrophobicContact CG1-CD1 4.39Å; V585-I607 HydrophobicContact CG1-CG1 4.03Å; V585-I607 HydrophobicContact CG2-CG1 4.23Å; V603-I607 HydrophobicContact CG1-CD1 3.77Å; V603-I607 HydrophobicContact CG1-CG1 4.4Å; V603-I607 WeakPolarHBondContact O-CG1 3.45Å; V603-I607 PolarHBondContact O-N 2.91Å; V604-I607 PolarHBondContact O-N 2.85Å
608	T	96.3	Very high	94.6	Very high	79 Å²	79	59.2 Å²	59.2	49%	0.485	31%	0.308	S	S	.	.	H	α-helix	trans	-85.5	-14.4	179.8	59.2	0	0	0	0	113.7	L439 V604	L439-T608 HydrophobicContact CD1-CG2 3.69Å; L439-T608 HydrophobicContact CD2-CG2 4.06Å; V604-T608 HydrophobicContact CG1-CG2 4.49Å; V604-T608 WeakPolarHBondContact O-CG2 3.3Å; V604-T608 PolarHBondContact O-N 3.33Å; V604-T608 PolarHBondContact O-OG1 2.8Å
609	G	94.6	Very high	94	Very high	32 Å²	32	61.9 Å²	61.9	33%	0.33	32%	0.319	S	S	.	.	S	Bend	trans	-79.2	-176.1	179	0	0	0	0	0	113.5	Q581 N605	Q581-G609 PolarHBondContact NE2-O 3.24Å; N605-G609 WeakPolarHBondContact O-CA 3.29Å; N605-G609 PolarHBondContact O-N 2.03Å
610	R	92.4	Very high	92.7	Very high	185 Å²	185	61.2 Å²	61.2	70%	0.698	31%	0.314	S	S	*	.			trans	-84.7	136.9	176.2	-63.8	-175.1	-179.6	179.1	-0.7	111	Q612 N613	R610-Q612 PolarHBondContact O-N 3.05Å; R610-N613 WeakPolarHBondContact O-CB 3.06Å; R610-N613 PolarHBondContact O-N 3.15Å
611	L	89.3	Confident	91.4	Very high	27 Å²	27	62.1 Å²	62.1	14%	0.141	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-51.4	-39.4	176.6	173.4	60.9	0	0	0	112.9	Q577 Q581 L584 N613 I614	Q577-L611 HydrophobicContact CB-CD2 4.09Å; Q577-L611 HydrophobicContact CG-CD2 4.18Å; Q581-L611 HydrophobicContact CB-CD1 3.92Å; Q581-L611 HydrophobicContact CG-CD1 4.41Å; L584-L611 HydrophobicContact CD1-CD1 3.65Å; L611-N613 PolarHBondContact O-N 3.4Å; L611-N613 VanDerWaalsContact O-N 3.09Å; L611-I614 PolarHBondContact O-N 2.86Å
612	Q	90.1	Very high	89.6	Confident	145 Å²	145	66.6 Å²	66.6	68%	0.678	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-63	-19.3	-178.6	-57.7	84.8	6.4	0	0	113.6	R610 I614	R610-Q612 PolarHBondContact O-N 3.05Å; Q612-I614 VanDerWaalsContact C-N 3.31Å
613	N	92.7	Very high	87.3	Confident	129 Å²	129	64.2 Å²	64.2	69%	0.69	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-87	-2.9	178.8	-63.1	-15.1	0	0	0	112.7	R610 L611	R610-N613 WeakPolarHBondContact O-CB 3.06Å; R610-N613 PolarHBondContact O-N 3.15Å; L611-N613 PolarHBondContact O-N 3.4Å; L611-N613 VanDerWaalsContact O-N 3.09Å
614	I	93	Very high	84.8	Confident	18 Å²	18	75 Å²	75	9%	0.092	39%	0.385	C	S	.	.			trans	-102.7	107.1	-179.7	-53.5	175.5	0	0	0	108.2	Q581 L584 V585 M606 L611 Q612	Q581-I614 HydrophobicContact CG-CD1 3.76Å; L584-I614 HydrophobicContact CB-CG2 3.91Å; L584-I614 HydrophobicContact CD1-CG2 4.35Å; V585-I614 HydrophobicContact CG2-CD1 3.96Å; M606-I614 HydrophobicContact CB-CD1 4.12Å; M606-I614 HydrophobicContact CB-CG1 4.47Å; M606-I614 HydrophobicContact CE-CG2 3.81Å; M606-I614 WeakPolarHBondContact O-CD1 3.22Å; L611-I614 PolarHBondContact O-N 2.86Å; Q612-I614 VanDerWaalsContact C-N 3.31Å
615	Q	92	Very high	82.2	Confident	156 Å²	156	81.9 Å²	81.9	73%	0.729	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-69.1	150.3	171.8	-67.3	178.6	-10.3	0	0	110.4	W588	W588-Q615 PolarHBondContact NE1-O 3.42Å
616	V	90.6	Very high	79.4	Confident	73 Å²	73	82.4 Å²	82.4	44%	0.442	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-62.9	125.3	170.9	-177.4	0	0	0	0	108.1	Y556 I560 L584	Y556-V616 HydrophobicContact CE2-CG1 4.34Å; I560-V616 HydrophobicContact CG2-CG1 3.98Å; L584-V616 HydrophobicContact CD2-CB 4.45Å; L584-V616 HydrophobicContact CD2-CG1 4.47Å; L584-V616 HydrophobicContact CD2-CG2 4.16Å
617	P	91	Very high	76.2	Confident	1 Å²	1	89.8 Å²	89.8	1%	0.006	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-64.8	156.7	177.4	23.4	-29.1	0	0	0	110.9	Y556 L587 W588	Y556-P617 WeakPolarHBondContact CE2-O 3.07Å; Y556-P617 PolarHBondContact OH-O 2.78Å; L587-P617 HydrophobicContact CB-CG 3.46Å; L587-P617 VanDerWaalsContact CB-CG 3.46Å; W588-P617 HydrophobicContact CD2-CB 3.69Å; W588-P617 HydrophobicContact CE3-CB 4.15Å; W588-P617 HydrophobicContact CG-CB 3.92Å; W588-P617 HydrophobicContact CG-CG 4.29Å; W588-P617 HydrophobicContact CZ2-CB 4.08Å
618	P	88.5	Confident	73.6	Confident	70 Å²	70	95.1 Å²	95.1	46%	0.455	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-60.4	144.6	172.3	26	-31.6	0	0	0	110.1	Q591 P620	Q591-P618 PolarHBondContact NE2-O 2.8Å; P618-P620 WeakPolarHBondContact O-CD 3.34Å; P618-P620 VanDerWaalsContact O-N 3.09Å
619	K	83.9	Confident	70.6	Confident	72 Å²	72	99.6 Å²	99.6	31%	0.313	51%	0.513	S	S	.	.			trans	-58.9	114.2	175.2	-172.6	168.6	177	165.9	0	107.6	E553 Y556 E557 F621	E553-K619 WeakPolarHBondContact OE1-CE 3.46Å; E553-K619 IonicContact OE1-NZ 3.68Å; E553-K619 PolarHBondContact OE1-NZ 2.93Å; Y556-K619 HydrophobicContact CD1-CB 4.45Å; Y556-K619 HydrophobicContact CD1-CD 4.25Å; Y556-K619 HydrophobicContact CD1-CG 4.08Å; Y556-K619 HydrophobicContact CE1-CB 3.77Å; Y556-K619 HydrophobicContact CE1-CD 4.03Å; Y556-K619 HydrophobicContact CE1-CG 3.85Å; Y556-K619 HydrophobicContact CE2-CB 4.26Å; Y556-K619 PolarHBondContact OH-N 2.64Å; E557-K619 IonicContact OE1-NZ 3.52Å; E557-K619 PolarHBondContact OE1-NZ 3.34Å; K619-F621 VanDerWaalsContact C-N 3.27Å; K619-F621 HydrophobicContact CG-CD2 3.96Å; K619-F621 PolarHBondContact O-N 2.85Å
620	P	70.4	Confident	68	Low	15 Å²	15	107.6 Å²	107.6	10%	0.097	56%	0.56	C	S	.	*			trans	-76	-23.5	-177.4	29.6	-31.4	0	0	0	110.3	W592 P618	W592-P620 VanDerWaalsContact CD1-C 3.47Å; W592-P620 PolarHBondContact NE1-O 1.99Å; P618-P620 WeakPolarHBondContact O-CD 3.34Å; P618-P620 VanDerWaalsContact O-N 3.09Å
621	F	69.8	Low	66.8	Low	20 Å²	20	103.8 Å²	103.8	9%	0.088	55%	0.553	C	S	.	*	S	Bend	trans	-83.2	135.6	-173	-35.7	-68.6	0	0	0	111.6	Y550 P552 E553 Y556 I590 K619 S623	Y550-F621 AromaticContact CD1-CD1 3.51Å; Y550-F621 HydrophobicContact CD1-CD1 3.51Å; Y550-F621 AromaticContact CD1-CE1 3.52Å; Y550-F621 HydrophobicContact CD1-CE1 3.52Å; Y550-F621 HydrophobicContact CD1-CG 4.44Å; Y550-F621 HydrophobicContact CD1-CZ 4.44Å; Y550-F621 AromaticContact CE1-CD1 3.77Å; Y550-F621 HydrophobicContact CE1-CD1 3.77Å; Y550-F621 AromaticContact CE1-CE1 3.47Å; Y550-F621 HydrophobicContact CE1-CE1 3.47Å; Y550-F621 VanDerWaalsContact CE1-CE1 3.47Å; P552-F621 HydrophobicContact CB-CE1 3.6Å; P552-F621 HydrophobicContact CB-CE2 4.44Å; P552-F621 HydrophobicContact CB-CZ 3.33Å; P552-F621 WeakPolarHBondContact O-CZ 3.43Å; E553-F621 HydrophobicContact CB-CB 4.41Å; E553-F621 HydrophobicContact CB-CD1 4.29Å; E553-F621 HydrophobicContact CB-CD2 3.45Å; E553-F621 VanDerWaalsContact CB-CD2 3.45Å; E553-F621 HydrophobicContact CB-CE2 3.75Å; E553-F621 HydrophobicContact CB-CG 3.74Å; E553-F621 HydrophobicContact CB-CZ 4.28Å; E553-F621 HydrophobicContact CG-CB 4.34Å; E553-F621 HydrophobicContact CG-CD2 3.64Å; E553-F621 HydrophobicContact CG-CE2 4.28Å; E553-F621 HydrophobicContact CG-CG 4.08Å; E553-F621 VanDerWaalsContact N-CZ 3.34Å; Y556-F621 HydrophobicContact CG-CE2 4.3Å; I590-F621 HydrophobicContact CD1-CZ 4.19Å; K619-F621 VanDerWaalsContact C-N 3.27Å; K619-F621 HydrophobicContact CG-CD2 3.96Å; K619-F621 PolarHBondContact O-N 2.85Å; F621-S623 PolarHBondContact O-N 2.76Å
622	V	59.4	Low	65.6	Low	131 Å²	131	107.8 Å²	107.8	79%	0.794	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-69	121.5	166	-174.4	0	0	0	0	106.4	Y624	V622-Y624 PolarHBondContact O-N 2.69Å
623	S	49.1	Very low	64.3	Low	66 Å²	66	105.7 Å²	105.7	46%	0.462	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-56.9	127.9	175.7	38.2	0	0	0	0	109.4	F621 E625	F621-S623 PolarHBondContact O-N 2.76Å; S623-E625 PolarHBondContact O-N 3.14Å
624	Y	45.7	Very low	62.6	Low	227 Å²	227	104.4 Å²	104.4	89%	0.89	56%	0.562	S	S	*	*			trans	-72.1	49.8	172.3	-122.5	-89.6	0	0	0	110.4	V622 S626	V622-Y624 PolarHBondContact O-N 2.69Å; Y624-S626 PolarHBondContact O-N 3.21Å; Y624-S626 VanDerWaalsContact O-N 3.14Å
625	E	43.2	Very low	60.7	Low	155 Å²	155	109.8 Å²	109.8	72%	0.724	59%	0.591	S	S	*	*			trans	-82.7	90.2	169.1	-79.4	-172.9	171.1	0	0	108.8	S623 H627	S623-E625 PolarHBondContact O-N 3.14Å; E625-H627 PolarHBondContact O-N 3.26Å
626	S	38.9	Very low	58.6	Low	103 Å²	103	106.7 Å²	106.7	72%	0.72	58%	0.582	S	S	*	*			trans	39.5	70.9	143.6	61.3	0	0	0	0	116.9	Y624	Y624-S626 PolarHBondContact O-N 3.21Å; Y624-S626 VanDerWaalsContact O-N 3.14Å
627	H	32.1	Very low	56.3	Low	175 Å²	175	109.1 Å²	109.1	81%	0.81	59%	0.592	S	S	*	*			trans	-94.1	116.1	145.7	-73.2	-48.8	0	0	0	107.4	E625 M629	E625-H627 PolarHBondContact O-N 3.26Å; H627-M629 PolarHBondContact O-N 3.01Å
628	P	42.4	Very low	53.6	Low	119 Å²	119	117.4 Å²	117.4	77%	0.773	64%	0.637	S	S	*	*			trans	-59.5	114.9	166.9	-5	18.6	0	0	0	105.7
629	M	33.4	Very low	50.7	Low	172 Å²	172	121.3 Å²	121.3	85%	0.847	65%	0.652	S	S	*	*			trans	-61	132.4	166.6	-85	-162.7	-85.8	0	0	107.4	H627	H627-M629 PolarHBondContact O-N 3.01Å
630	P	40.6	Very low	47.7	Very low	201 Å²	201	125.8 Å²	125.8	100%	1.305	68%	0.683	S	S	*	*			trans	-54	0	-177.7	-23.9	31.4	0	0	0	114.4

Retrieved 630 of 630 residues in 2011.9 ms (Link to these results)

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