A0A5K4FE46_SCHMA Loading...

ANK_REP_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FE46, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 754 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	33.2	Very low	35.9	Very low	232 Å²	232	145.7 Å²	145.7	100%	1.143	79%	0.791	S	S	*	*				0	89.6	0	-74.2	-67.6	-172.9	0	0	107.1
2	D	36.9	Very low	36.1	Very low	151 Å²	151	147.6 Å²	147.6	81%	0.807	79%	0.79	S	S	*	*			trans	35.2	85.1	163	-54.8	-16.2	0	0	0	117.6	K4	D2-K4 PolarHBondContact O-N 3.42Å
3	G	34.5	Very low	36.2	Very low	82 Å²	82	150.1 Å²	150.1	85%	0.845	79%	0.79	S	S	*	*			trans	-65.9	95.9	164.7	0	0	0	0	0	110
4	K	34.7	Very low	36.1	Very low	192 Å²	192	152.5 Å²	152.5	84%	0.835	79%	0.791	S	S	*	*			trans	-63.5	125.6	167.8	-75.6	179.3	176.9	175.8	0	108.6	D2 S6	D2-K4 PolarHBondContact O-N 3.42Å; K4-S6 PolarHBondContact O-N 3.29Å
5	P	39.6	Very low	36.4	Very low	96 Å²	96	152.1 Å²	152.1	62%	0.623	79%	0.791	S	S	*	*			trans	-69.4	126.3	176.9	27.3	-30.7	0	0	0	109.4	Y7	P5-Y7 HydrophobicContact CG-CE2 4.08Å; P5-Y7 WeakPolarHBondContact O-CD2 3.5Å; P5-Y7 PolarHBondContact O-N 3.19Å
6	S	34.4	Very low	36.5	Very low	105 Å²	105	149.3 Å²	149.3	73%	0.734	79%	0.787	S	S	*	*			trans	-67.5	105.6	171.5	50.8	0	0	0	0	109	K4 E8	K4-S6 PolarHBondContact O-N 3.29Å; S6-E8 VanDerWaalsContact C-N 3.3Å; S6-E8 PolarHBondContact O-N 3.07Å; S6-E8 VanDerWaalsContact O-N 3.1Å
7	Y	37.9	Very low	36.6	Very low	206 Å²	206	152.5 Å²	152.5	81%	0.808	80%	0.796	S	S	*	*			trans	-77.4	84.2	168.1	-75.6	-91.1	0	0	0	108.6	P5 S9	P5-Y7 HydrophobicContact CG-CE2 4.08Å; P5-Y7 WeakPolarHBondContact O-CD2 3.5Å; P5-Y7 PolarHBondContact O-N 3.19Å; Y7-S9 PolarHBondContact O-N 2.9Å
8	E	32.6	Very low	37.4	Very low	172 Å²	172	148.6 Å²	148.6	80%	0.804	78%	0.784	S	S	*	*			trans	-85.1	89.9	157.9	-77	176.6	171.4	0	0	106.8	S6	S6-E8 VanDerWaalsContact C-N 3.3Å; S6-E8 PolarHBondContact O-N 3.07Å; S6-E8 VanDerWaalsContact O-N 3.1Å
9	S	39.8	Very low	38.4	Very low	83 Å²	83	149.8 Å²	149.8	58%	0.58	79%	0.785	S	S	*	*			trans	-115.4	95.3	160	68.9	0	0	0	0	107.4	Y7 D11	Y7-S9 PolarHBondContact O-N 2.9Å; S9-D11 PolarHBondContact O-N 2.87Å
10	D	35.4	Very low	39.6	Very low	143 Å²	143	146.5 Å²	146.5	77%	0.765	78%	0.78	S	S	*	*			trans	-66.8	72.7	166.6	-66.2	-35	0	0	0	109	E12	D10-E12 PolarHBondContact O-N 2.9Å; D10-E12 VanDerWaalsContact O-N 3.12Å
11	D	36.6	Very low	41.5	Very low	141 Å²	141	141.3 Å²	141.3	75%	0.754	76%	0.755	S	S	*	*			trans	-78.5	83.5	158.9	-71.8	-30.1	0	0	0	106.1	S9 F13	S9-D11 PolarHBondContact O-N 2.87Å; D11-F13 PolarHBondContact O-N 3.23Å
12	E	37.4	Very low	44.2	Very low	168 Å²	168	132.1 Å²	132.1	79%	0.785	71%	0.709	S	S	*	*			trans	-62.4	82.7	168.8	-73.1	-176	164.3	0	0	109	D10 F14	D10-E12 PolarHBondContact O-N 2.9Å; D10-E12 VanDerWaalsContact O-N 3.12Å; E12-F14 PolarHBondContact O-N 2.9Å
13	F	38	Very low	46.8	Very low	180 Å²	180	127 Å²	127	79%	0.789	68%	0.679	S	S	*	*			trans	-69.5	115.1	167.1	-155.6	-97.2	0	0	0	106.9	D11 D15	D11-F13 PolarHBondContact O-N 3.23Å; F13-D15 PolarHBondContact O-N 3.08Å
14	F	35.3	Very low	49.5	Very low	184 Å²	184	123.1 Å²	123.1	81%	0.807	64%	0.638	S	S	*	*			trans	-59.4	100.9	175.3	-87	-97.6	0	0	0	109.3	E12 C16	E12-F14 PolarHBondContact O-N 2.9Å; F14-C16 VanDerWaalsContact C-N 3.31Å; F14-C16 PolarHBondContact O-N 3.39Å
15	D	39.8	Very low	52.1	Low	146 Å²	146	114 Å²	114	78%	0.781	60%	0.599	S	S	*	*			trans	-64.7	92.5	169.9	-86.8	-22	0	0	0	108.3	F13 Q17	F13-D15 PolarHBondContact O-N 3.08Å; D15-Q17 PolarHBondContact O-N 3.38Å
16	C	38.3	Very low	54.4	Low	107 Å²	107	109.5 Å²	109.5	72%	0.723	57%	0.57	S	S	*	*			trans	-57.2	111.2	158.4	-75.4	0	0	0	0	106.6	F14 S18	F14-C16 VanDerWaalsContact C-N 3.31Å; F14-C16 PolarHBondContact O-N 3.39Å; C16-S18 PolarHBondContact O-N 3.46Å; C16-S18 PolarHBondContact O-OG 3.24Å
17	Q	39	Very low	56.9	Low	204 Å²	204	104.8 Å²	104.8	95%	0.953	54%	0.537	S	S	*	.			trans	-65	82.2	171	-70.2	-173.3	-5.9	0	0	108.8	D15	D15-Q17 PolarHBondContact O-N 3.38Å
18	S	49.4	Very low	58.9	Low	83 Å²	83	95.1 Å²	95.1	58%	0.58	50%	0.5	S	S	*	.			trans	-119.9	119.3	174.9	54.3	0	0	0	0	108.1	C16	C16-S18 PolarHBondContact O-N 3.46Å; C16-S18 PolarHBondContact O-OG 3.24Å
19	E	57.3	Low	60.9	Low	172 Å²	172	93.6 Å²	93.6	80%	0.804	50%	0.496	S	S	*	.	S	Bend	trans	8.9	129.1	163.5	-62.3	177.6	167.5	0	0	117.1	C21	E19-C21 PolarHBondContact O-N 3.34Å; E19-C21 PolarHBondContact O-SG 3.42Å
20	A	61.5	Low	62.4	Low	83 Å²	83	93.4 Å²	93.4	69%	0.686	50%	0.495	S	S	*	.			trans	-38.1	102	-176.8	0	0	0	0	0	113.4
21	C	81.1	Confident	64.1	Low	38 Å²	38	90.9 Å²	90.9	26%	0.257	48%	0.477	S	S	.	.			trans	-93.4	136.8	179.6	-71.3	0	0	0	0	110.4	E19 L57 F58	E19-C21 PolarHBondContact O-N 3.34Å; E19-C21 PolarHBondContact O-SG 3.42Å; C21-L57 HydrophobicContact CB-CD2 3.9Å; C21-F58 CarbonylContact C-O 3.6Å; C21-F58 WeakPolarHBondContact CA-O 3.14Å
22	F	89	Confident	66	Low	39 Å²	39	86.5 Å²	86.5	17%	0.171	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123.2	171.9	-63	-86.9	0	0	0	109.8	V36 L38 L57 F58 A59 H61 A64	F22-V36 HydrophobicContact CB-CG1 3.76Å; F22-V36 HydrophobicContact CD1-CG1 3.99Å; F22-V36 HydrophobicContact CG-CG1 4.3Å; F22-L38 HydrophobicContact CD1-CD2 3.57Å; F22-L38 HydrophobicContact CD1-CG 4.3Å; F22-L38 HydrophobicContact CE1-CD2 3.44Å; F22-L38 VanDerWaalsContact CE1-CD2 3.44Å; F22-L38 HydrophobicContact CE1-CG 4.24Å; F22-L38 HydrophobicContact CG-CD2 4.4Å; F22-L38 HydrophobicContact CZ-CD2 4.16Å; F22-L57 WeakPolarHBondContact O-CA 3.16Å; F22-F58 PolarHBondContact N-O 3.25Å; F22-F58 PolarHBondContact O-N 2.82Å; F22-A59 WeakPolarHBondContact CE2-O 3.44Å; F22-H61 HydrophobicContact CD1-CB 4.13Å; F22-H61 AromaticContact CD1-CD2 3.73Å; F22-H61 HydrophobicContact CD2-CB 4.28Å; F22-H61 HydrophobicContact CE1-CB 3.8Å; F22-H61 AromaticContact CE1-CD2 3.61Å; F22-H61 HydrophobicContact CE2-CB 3.98Å; F22-H61 HydrophobicContact CG-CB 4.36Å; F22-H61 HydrophobicContact CZ-CB 3.73Å; F22-A64 HydrophobicContact CB-CB 3.68Å; F22-A64 HydrophobicContact CG-CB 4.47Å
23	Y	91.1	Very high	68	Low	43 Å²	43	86.5 Å²	86.5	17%	0.169	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	104.6	175.8	-61.3	-97	0	0	0	109.5	V36 F37 P40 A43 L55 L57	Y23-V36 CarbonylContact O-C 3.56Å; Y23-V36 WeakPolarHBondContact O-CA 3.39Å; Y23-F37 WeakPolarHBondContact CB-O 3.39Å; Y23-F37 WeakPolarHBondContact CD2-O 3.01Å; Y23-F37 PolarHBondContact N-O 3.02Å; Y23-F37 PolarHBondContact O-N 3Å; Y23-P40 HydrophobicContact CD1-CB 4.45Å; Y23-P40 HydrophobicContact CE1-CB 3.87Å; Y23-P40 HydrophobicContact CE1-CG 4.33Å; Y23-P40 HydrophobicContact CE2-CB 4.02Å; Y23-P40 HydrophobicContact CE2-CG 3.76Å; Y23-P40 WeakPolarHBondContact OH-CG 3.32Å; Y23-A43 HydrophobicContact CD1-CB 4.43Å; Y23-A43 HydrophobicContact CG-CB 4.08Å; Y23-L55 HydrophobicContact CD1-CD1 4.45Å; Y23-L55 HydrophobicContact CD1-CD2 4.5Å; Y23-L57 HydrophobicContact CD1-CD2 3.88Å; Y23-L57 HydrophobicContact CD1-CG 3.9Å; Y23-L57 HydrophobicContact CE1-CD1 4.4Å; Y23-L57 HydrophobicContact CE1-CD2 3.35Å; Y23-L57 HydrophobicContact CE1-CG 3.87Å; Y23-L57 HydrophobicContact CE2-CD2 4.45Å
24	A	91	Very high	70.2	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.8	177.5	0	0	0	0	0	110.8	V36 L55 K56 F58 A64 F67 A68	A24-V36 HydrophobicContact CB-CG2 4.33Å; A24-L55 CarbonylContact O-C 3.59Å; A24-L55 VanDerWaalsContact O-CA 3.29Å; A24-L55 WeakPolarHBondContact O-CA 3.31Å; A24-K56 PolarHBondContact N-O 3.31Å; A24-K56 PolarHBondContact O-N 3.25Å; A24-F58 HydrophobicContact CB-CD2 3.85Å; A24-F58 HydrophobicContact CB-CE2 3.82Å; A24-A64 HydrophobicContact CB-CB 4.05Å; A24-A64 WeakPolarHBondContact CB-O 3.07Å; A24-F67 HydrophobicContact CB-CB 4.32Å; A24-F67 HydrophobicContact CB-CD1 3.69Å; A24-F67 HydrophobicContact CB-CG 4.44Å; A24-A68 HydrophobicContact CB-CB 4.35Å
25	V	89.8	Confident	72.8	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	112.3	173.5	-179	0	0	0	0	108.1	G34 G35 F37 A43 K46 L47 A53 R54 L55	V25-G34 CarbonylContact O-C 3.4Å; V25-G34 WeakPolarHBondContact O-CA 3.29Å; V25-G35 PolarHBondContact N-O 3.49Å; V25-G35 PolarHBondContact O-N 3.38Å; V25-F37 HydrophobicContact CB-CE2 4.34Å; V25-F37 HydrophobicContact CG2-CD2 4.17Å; V25-F37 HydrophobicContact CG2-CE2 4.01Å; V25-A43 HydrophobicContact CG2-CB 4.34Å; V25-K46 HydrophobicContact CG1-CG 4.33Å; V25-L47 HydrophobicContact CG1-CB 4.48Å; V25-L47 HydrophobicContact CG1-CD1 4.34Å; V25-L47 HydrophobicContact CG2-CB 4.49Å; V25-A53 HydrophobicContact CG1-CB 3.98Å; V25-R54 CarbonylContact C-O 3.5Å; V25-R54 VanDerWaalsContact CA-O 3.31Å; V25-R54 WeakPolarHBondContact CA-O 3.44Å; V25-L55 HydrophobicContact CG2-CB 4.45Å; V25-L55 HydrophobicContact CG2-CD1 3.9Å; V25-L55 HydrophobicContact CG2-CG 4.5Å
26	A	88.8	Confident	75.3	Confident	2 Å²	2	65.7 Å²	65.7	2%	0.017	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138.2	171.8	0	0	0	0	0	110	A53 R54 F67 V72	A26-A53 CarbonylContact O-C 3.58Å; A26-A53 WeakPolarHBondContact O-CA 3.43Å; A26-A53 VanDerWaalsContact O-CB 3.27Å; A26-A53 WeakPolarHBondContact O-CB 3.42Å; A26-R54 PolarHBondContact N-O 3.42Å; A26-R54 PolarHBondContact O-N 2.9Å; A26-F67 HydrophobicContact CB-CD1 3.99Å; A26-F67 HydrophobicContact CB-CE1 3.68Å; A26-F67 HydrophobicContact CB-CZ 4.09Å; A26-F67 VanDerWaalsContact CB-O 3.31Å; A26-F67 WeakPolarHBondContact CB-O 3.44Å; A26-V72 HydrophobicContact CB-CG2 3.77Å
27	S	85.3	Confident	77.8	Confident	7 Å²	7	62.8 Å²	62.8	5%	0.049	36%	0.356	C	S	.	.			trans	-113.2	145.9	-177.9	-179.5	0	0	0	0	110.9	G32 I50 V72	S27-G32 WeakPolarHBondContact CB-O 2.98Å; S27-G32 PolarHBondContact OG-O 3.39Å; S27-I50 WeakPolarHBondContact OG-CG2 3.21Å; S27-V72 PolarHBondContact O-N 2.91Å
28	P	81	Confident	80.2	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.019	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-59.9	145.6	166.9	-19.9	32.4	0	0	0	111.6	S30 K31 V72 E74	P28-S30 PolarHBondContact O-N 3.35Å; P28-K31 HydrophobicContact CB-CB 4.4Å; P28-K31 HydrophobicContact CB-CD 4.45Å; P28-K31 HydrophobicContact CG-CD 4.29Å; P28-K31 PolarHBondContact O-N 3.46Å; P28-V72 HydrophobicContact CB-CB 4.5Å; P28-V72 HydrophobicContact CG-CB 4.25Å; P28-E74 HydrophobicContact CB-CG 3.82Å
29	L	74.2	Confident	82	Confident	139 Å²	139	57.8 Å²	57.8	73%	0.728	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	-31.9	-176.5	-103.4	133.6	0	0	0	114.1	P71	L29-P71 HydrophobicContact CB-CB 4.37Å; L29-P71 HydrophobicContact CD1-CB 3.38Å; L29-P71 HydrophobicContact CD1-CG 3.72Å; L29-P71 HydrophobicContact CG-CB 3.46Å; L29-P71 VanDerWaalsContact CG-CB 3.46Å; L29-P71 HydrophobicContact CG-CG 4.13Å
30	S	70.6	Confident	83.4	Confident	79 Å²	79	51.8 Å²	51.8	55%	0.552	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-8	-173	59	0	0	0	0	114.8	P28 E74	P28-S30 PolarHBondContact O-N 3.35Å; S30-E74 VanDerWaalsContact OG-CD 3.24Å; S30-E74 PolarHBondContact OG-OE1 3.31Å; S30-E74 PolarHBondContact OG-OE2 3.39Å
31	K	71.4	Confident	84.7	Confident	91 Å²	91	55.6 Å²	55.6	40%	0.396	31%	0.305	S	S	.	.	S	Bend	trans	-116.4	11.3	-165.1	-70.1	-178.6	179	134.5	0	115.7	P28 I50 T51 E74	P28-K31 HydrophobicContact CB-CB 4.4Å; P28-K31 HydrophobicContact CB-CD 4.45Å; P28-K31 HydrophobicContact CG-CD 4.29Å; P28-K31 PolarHBondContact O-N 3.46Å; K31-I50 HydrophobicContact CB-CG2 3.96Å; K31-T51 WeakPolarHBondContact CD-O 3.47Å; K31-E74 WeakPolarHBondContact CE-OE1 3.41Å; K31-E74 IonicContact NZ-OE1 2.72Å; K31-E74 PolarHBondContact NZ-OE1 3.3Å
32	G	76.1	Confident	85.1	Confident	49 Å²	49	61.7 Å²	61.7	51%	0.505	32%	0.323	S	S	.	.			trans	116.4	-174	175.2	0	0	0	0	0	112.9	S27	S27-G32 WeakPolarHBondContact CB-O 2.98Å; S27-G32 PolarHBondContact OG-O 3.39Å
33	Q	80.3	Confident	85.1	Confident	167 Å²	167	59.9 Å²	59.9	78%	0.78	32%	0.315	S	S	*	.			trans	-93.5	136.5	-179.9	-73.9	178.7	-13.2	0	0	111.5	K46	Q33-K46 WeakPolarHBondContact O-CE 3.24Å; Q33-K46 PolarHBondContact O-NZ 3.02Å
34	G	84	Confident	84.9	Confident	20 Å²	20	63.3 Å²	63.3	21%	0.206	33%	0.329	C	S	.	.			trans	-64.5	-171.3	165.8	0	0	0	0	0	112.6	V25	V25-G34 CarbonylContact O-C 3.4Å; V25-G34 WeakPolarHBondContact O-CA 3.29Å
35	G	90	Very high	84.9	Confident	17 Å²	17	69.4 Å²	69.4	18%	0.175	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.2	159.2	175.5	0	0	0	0	0	112.9	V25 F37	V25-G35 PolarHBondContact N-O 3.49Å; V25-G35 PolarHBondContact O-N 3.38Å; G35-F37 WeakPolarHBondContact O-CE2 3.27Å
36	V	91.9	Very high	84.8	Confident	37 Å²	37	72.8 Å²	72.8	22%	0.224	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.7	174.6	-175.8	0	0	0	0	108.9	F22 Y23 A24 A64 N65 A68	F22-V36 HydrophobicContact CB-CG1 3.76Å; F22-V36 HydrophobicContact CD1-CG1 3.99Å; F22-V36 HydrophobicContact CG-CG1 4.3Å; Y23-V36 CarbonylContact O-C 3.56Å; Y23-V36 WeakPolarHBondContact O-CA 3.39Å; A24-V36 HydrophobicContact CB-CG2 4.33Å; V36-A64 HydrophobicContact CG1-CB 3.75Å; V36-A64 VanDerWaalsContact CG2-C 3.5Å; V36-A64 HydrophobicContact CG2-CB 3.92Å; V36-A64 WeakPolarHBondContact CG2-O 3.46Å; V36-N65 HydrophobicContact CG2-CB 4.13Å; V36-A68 HydrophobicContact CG2-CB 3.88Å
37	F	91.5	Very high	84.7	Confident	46 Å²	46	74.8 Å²	74.8	20%	0.202	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143	-177.4	-56	-88.6	0	0	0	109.8	Y23 V25 G35 R42 A43 K46	Y23-F37 WeakPolarHBondContact CB-O 3.39Å; Y23-F37 WeakPolarHBondContact CD2-O 3.01Å; Y23-F37 PolarHBondContact N-O 3.02Å; Y23-F37 PolarHBondContact O-N 3Å; V25-F37 HydrophobicContact CB-CE2 4.34Å; V25-F37 HydrophobicContact CG2-CD2 4.17Å; V25-F37 HydrophobicContact CG2-CE2 4.01Å; G35-F37 WeakPolarHBondContact O-CE2 3.27Å; F37-R42 HydrophobicContact CD1-CB 3.75Å; F37-R42 HydrophobicContact CE1-CB 4.29Å; F37-R42 HydrophobicContact CG-CB 4.39Å; F37-A43 HydrophobicContact CB-CB 3.9Å; F37-A43 HydrophobicContact CD2-CB 3.85Å; F37-A43 HydrophobicContact CG-CB 4.06Å; F37-K46 HydrophobicContact CE2-CB 3.86Å; F37-K46 HydrophobicContact CE2-CG 3.94Å; F37-K46 HydrophobicContact CZ-CB 3.72Å; F37-K46 HydrophobicContact CZ-CD 4.36Å; F37-K46 HydrophobicContact CZ-CG 3.75Å
38	L	88.8	Confident	84.8	Confident	120 Å²	120	84.6 Å²	84.6	63%	0.628	42%	0.421	S	S	*	.	S	Bend	trans	-88	-27.8	167.3	-71.7	167.6	0	0	0	111.6	F22 P40	F22-L38 HydrophobicContact CD1-CD2 3.57Å; F22-L38 HydrophobicContact CD1-CG 4.3Å; F22-L38 HydrophobicContact CE1-CD2 3.44Å; F22-L38 VanDerWaalsContact CE1-CD2 3.44Å; F22-L38 HydrophobicContact CE1-CG 4.24Å; F22-L38 HydrophobicContact CG-CD2 4.4Å; F22-L38 HydrophobicContact CZ-CD2 4.16Å; L38-P40 WeakPolarHBondContact O-CD 3.32Å
39	D	87.5	Confident	85	Confident	62 Å²	62	88.2 Å²	88.2	33%	0.332	45%	0.446	S	S	.	.	S	Bend	trans	-91.6	116.1	179.3	178.9	1.4	0	0	0	109.8	K41 R42 A43	D39-K41 PolarHBondContact O-N 3.34Å; D39-K41 WeakPolarHBondContact OD1-CB 3.5Å; D39-K41 PolarHBondContact OD1-N 3.27Å; D39-R42 HydrophobicContact CB-CB 4.32Å; D39-R42 HydrophobicContact CB-CG 4.19Å; D39-R42 PolarHBondContact O-N 3Å; D39-R42 IonicContact OD2-NE 3.72Å; D39-A43 PolarHBondContact O-N 3.38Å
40	P	86.8	Confident	85.5	Confident	46 Å²	46	82 Å²	82	30%	0.299	41%	0.414	S	S	.	.	H	α-helix	trans	-54.5	-39.2	177.6	-6.6	7.5	0	0	0	111.9	Y23 L38 R42 A43 Y44	Y23-P40 HydrophobicContact CD1-CB 4.45Å; Y23-P40 HydrophobicContact CE1-CB 3.87Å; Y23-P40 HydrophobicContact CE1-CG 4.33Å; Y23-P40 HydrophobicContact CE2-CB 4.02Å; Y23-P40 HydrophobicContact CE2-CG 3.76Å; Y23-P40 WeakPolarHBondContact OH-CG 3.32Å; L38-P40 WeakPolarHBondContact O-CD 3.32Å; P40-R42 VanDerWaalsContact C-N 3.33Å; P40-R42 PolarHBondContact O-N 3.13Å; P40-A43 WeakPolarHBondContact O-CB 3.26Å; P40-A43 PolarHBondContact O-N 3.24Å; P40-A43 VanDerWaalsContact O-N 3.15Å; P40-Y44 HydrophobicContact CB-CD2 4.38Å; P40-Y44 HydrophobicContact CB-CE2 4.28Å; P40-Y44 WeakPolarHBondContact O-CD2 3.12Å; P40-Y44 PolarHBondContact O-N 3.23Å
41	K	88.9	Confident	86	Confident	162 Å²	162	83.7 Å²	83.7	70%	0.704	42%	0.421	S	S	*	.	H	α-helix	trans	-62.6	-41.3	-176.1	-65.4	-178.6	179.8	178.6	0	111.4	D39 Y44 L45	D39-K41 PolarHBondContact O-N 3.34Å; D39-K41 WeakPolarHBondContact OD1-CB 3.5Å; D39-K41 PolarHBondContact OD1-N 3.27Å; K41-Y44 PolarHBondContact O-N 3.45Å; K41-L45 WeakPolarHBondContact O-CG 3.39Å; K41-L45 PolarHBondContact O-N 3.22Å; K41-L45 VanDerWaalsContact O-N 3.07Å
42	R	90.1	Very high	86.5	Confident	167 Å²	167	81 Å²	81	63%	0.63	42%	0.419	S	S	*	.	H	α-helix	trans	-67.6	-40	176.1	-68.6	-179.2	-174.5	-174.1	-0.7	111.8	F37 D39 P40 Y44 L45 K46	F37-R42 HydrophobicContact CD1-CB 3.75Å; F37-R42 HydrophobicContact CE1-CB 4.29Å; F37-R42 HydrophobicContact CG-CB 4.39Å; D39-R42 HydrophobicContact CB-CB 4.32Å; D39-R42 HydrophobicContact CB-CG 4.19Å; D39-R42 PolarHBondContact O-N 3Å; D39-R42 IonicContact OD2-NE 3.72Å; P40-R42 VanDerWaalsContact C-N 3.33Å; P40-R42 PolarHBondContact O-N 3.13Å; R42-Y44 PolarHBondContact O-N 3.48Å; R42-L45 PolarHBondContact O-N 2.9Å; R42-K46 PolarHBondContact O-N 3.03Å
43	A	88.3	Confident	86.9	Confident	0 Å²	0	79 Å²	79	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-60.6	-45.5	176.4	0	0	0	0	0	111.6	Y23 V25 F37 D39 P40 K46 L47 L55	Y23-A43 HydrophobicContact CD1-CB 4.43Å; Y23-A43 HydrophobicContact CG-CB 4.08Å; V25-A43 HydrophobicContact CG2-CB 4.34Å; F37-A43 HydrophobicContact CB-CB 3.9Å; F37-A43 HydrophobicContact CD2-CB 3.85Å; F37-A43 HydrophobicContact CG-CB 4.06Å; D39-A43 PolarHBondContact O-N 3.38Å; P40-A43 WeakPolarHBondContact O-CB 3.26Å; P40-A43 PolarHBondContact O-N 3.24Å; P40-A43 VanDerWaalsContact O-N 3.15Å; A43-K46 PolarHBondContact O-N 3.07Å; A43-L47 WeakPolarHBondContact O-CB 3.34Å; A43-L47 PolarHBondContact O-N 3.19Å; A43-L55 HydrophobicContact CB-CD1 3.66Å
44	Y	87.7	Confident	87.2	Confident	116 Å²	116	77.7 Å²	77.7	46%	0.455	39%	0.386	S	S	.	.	H	α-helix	trans	-65.9	-38.8	177.7	-79	-67.4	0	0	0	113.1	P40 K41 R42 K46 L47 R48	P40-Y44 HydrophobicContact CB-CD2 4.38Å; P40-Y44 HydrophobicContact CB-CE2 4.28Å; P40-Y44 WeakPolarHBondContact O-CD2 3.12Å; P40-Y44 PolarHBondContact O-N 3.23Å; K41-Y44 PolarHBondContact O-N 3.45Å; R42-Y44 PolarHBondContact O-N 3.48Å; Y44-K46 VanDerWaalsContact C-N 3.33Å; Y44-K46 PolarHBondContact O-N 3.31Å; Y44-L47 HydrophobicContact CD1-CD2 4.29Å; Y44-L47 PolarHBondContact O-N 3.33Å; Y44-R48 WeakPolarHBondContact O-CB 3.39Å; Y44-R48 WeakPolarHBondContact O-CG 3.48Å; Y44-R48 PolarHBondContact O-N 3.48Å
45	L	90.3	Very high	87.5	Confident	127 Å²	127	78.9 Å²	78.9	67%	0.665	39%	0.387	S	S	*	.	H	α-helix	trans	-61.3	-43.3	174.1	-73.9	169.8	0	0	0	111.2	K41 R42 R48 S49	K41-L45 WeakPolarHBondContact O-CG 3.39Å; K41-L45 PolarHBondContact O-N 3.22Å; K41-L45 VanDerWaalsContact O-N 3.07Å; R42-L45 PolarHBondContact O-N 2.9Å; L45-R48 PolarHBondContact O-N 3.47Å; L45-S49 PolarHBondContact O-N 3.34Å; L45-S49 VanDerWaalsContact O-N 3.11Å
46	K	86.9	Confident	87.5	Confident	71 Å²	71	83.3 Å²	83.3	31%	0.309	40%	0.402	S	S	.	.	H	α-helix	trans	-65.9	-44.9	176.5	-169.3	67.6	168.3	172.7	0	111.7	V25 Q33 F37 R42 A43 Y44 R48 S49 I50	V25-K46 HydrophobicContact CG1-CG 4.33Å; Q33-K46 WeakPolarHBondContact O-CE 3.24Å; Q33-K46 PolarHBondContact O-NZ 3.02Å; F37-K46 HydrophobicContact CE2-CB 3.86Å; F37-K46 HydrophobicContact CE2-CG 3.94Å; F37-K46 HydrophobicContact CZ-CB 3.72Å; F37-K46 HydrophobicContact CZ-CD 4.36Å; F37-K46 HydrophobicContact CZ-CG 3.75Å; R42-K46 PolarHBondContact O-N 3.03Å; A43-K46 PolarHBondContact O-N 3.07Å; Y44-K46 VanDerWaalsContact C-N 3.33Å; Y44-K46 PolarHBondContact O-N 3.31Å; K46-R48 VanDerWaalsContact C-N 3.33Å; K46-R48 PolarHBondContact O-N 3.15Å; K46-S49 PolarHBondContact O-N 3.43Å; K46-S49 VanDerWaalsContact O-N 3.13Å; K46-S49 PolarHBondContact O-OG 2.6Å; K46-I50 HydrophobicContact CD-CD1 4.26Å; K46-I50 HydrophobicContact CG-CD1 4.35Å; K46-I50 PolarHBondContact O-N 2.98Å
47	L	87.6	Confident	87.4	Confident	44 Å²	44	85.6 Å²	85.6	23%	0.23	41%	0.412	C	S	.	.	H	α-helix	trans	-57.5	-44.4	176.9	-178.7	67.9	0	0	0	111.8	V25 A43 Y44 S49 I50 A53 L55	V25-L47 HydrophobicContact CG1-CB 4.48Å; V25-L47 HydrophobicContact CG1-CD1 4.34Å; V25-L47 HydrophobicContact CG2-CB 4.49Å; A43-L47 WeakPolarHBondContact O-CB 3.34Å; A43-L47 PolarHBondContact O-N 3.19Å; Y44-L47 HydrophobicContact CD1-CD2 4.29Å; Y44-L47 PolarHBondContact O-N 3.33Å; L47-S49 VanDerWaalsContact C-N 3.31Å; L47-S49 PolarHBondContact O-N 3.14Å; L47-I50 PolarHBondContact O-N 3.27Å; L47-A53 HydrophobicContact CD1-CB 3.78Å; L47-A53 WeakPolarHBondContact CD1-O 3.41Å; L47-L55 HydrophobicContact CD1-CB 3.95Å; L47-L55 HydrophobicContact CD2-CB 3.81Å; L47-L55 HydrophobicContact CD2-CD1 4.4Å; L47-L55 HydrophobicContact CG-CB 4.38Å
48	R	86.9	Confident	87.3	Confident	214 Å²	214	85 Å²	85	81%	0.808	41%	0.409	S	S	*	.	H	α-helix	trans	-69.4	-28.3	177.9	-73.3	-178.7	179.2	-172.6	1.2	113.2	Y44 L45 K46 I50	Y44-R48 WeakPolarHBondContact O-CB 3.39Å; Y44-R48 WeakPolarHBondContact O-CG 3.48Å; Y44-R48 PolarHBondContact O-N 3.48Å; L45-R48 PolarHBondContact O-N 3.47Å; K46-R48 VanDerWaalsContact C-N 3.33Å; K46-R48 PolarHBondContact O-N 3.15Å; R48-I50 VanDerWaalsContact C-N 3.29Å; R48-I50 PolarHBondContact O-N 3.41Å
49	S	85.9	Confident	87.2	Confident	78 Å²	78	83 Å²	83	55%	0.545	41%	0.41	S	S	.	.	H	α-helix	trans	-74	-17.8	178.7	71.6	0	0	0	0	113.9	L45 K46 L47	L45-S49 PolarHBondContact O-N 3.34Å; L45-S49 VanDerWaalsContact O-N 3.11Å; K46-S49 PolarHBondContact O-N 3.43Å; K46-S49 VanDerWaalsContact O-N 3.13Å; K46-S49 PolarHBondContact O-OG 2.6Å; L47-S49 VanDerWaalsContact C-N 3.31Å; L47-S49 PolarHBondContact O-N 3.14Å
50	I	84.8	Confident	87.2	Confident	9 Å²	9	83.5 Å²	83.5	5%	0.046	41%	0.413	C	S	.	.	S	Bend	trans	-119.7	104.6	-175.3	-57	174	0	0	0	109.5	S27 K31 K46 L47 R48 G52 A53	S27-I50 WeakPolarHBondContact OG-CG2 3.21Å; K31-I50 HydrophobicContact CB-CG2 3.96Å; K46-I50 HydrophobicContact CD-CD1 4.26Å; K46-I50 HydrophobicContact CG-CD1 4.35Å; K46-I50 PolarHBondContact O-N 2.98Å; L47-I50 PolarHBondContact O-N 3.27Å; R48-I50 VanDerWaalsContact C-N 3.29Å; R48-I50 PolarHBondContact O-N 3.41Å; I50-G52 PolarHBondContact O-N 2.87Å; I50-G52 VanDerWaalsContact O-N 3.17Å; I50-A53 HydrophobicContact CB-CB 3.7Å; I50-A53 HydrophobicContact CG2-CB 3.73Å; I50-A53 VanDerWaalsContact O-CB 3.3Å; I50-A53 WeakPolarHBondContact O-CB 3.48Å; I50-A53 PolarHBondContact O-N 3.47Å
51	T	79.8	Confident	87.3	Confident	114 Å²	114	85.7 Å²	85.7	70%	0.699	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	116.4	179.9	-18.4	0	0	0	0	110.9	K31	K31-T51 WeakPolarHBondContact CD-O 3.47Å
52	G	81.7	Confident	87.3	Confident	34 Å²	34	82.5 Å²	82.5	35%	0.351	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.1	-0.6	-176.4	0	0	0	0	0	114.5	I50 R54	I50-G52 PolarHBondContact O-N 2.87Å; I50-G52 VanDerWaalsContact O-N 3.17Å; G52-R54 PolarHBondContact O-NH1 3.32Å
53	A	86.2	Confident	87.3	Confident	9 Å²	9	78 Å²	78	7%	0.074	40%	0.402	C	S	.	.			trans	-60.1	156.5	170.6	0	0	0	0	0	112.1	V25 A26 L47 I50	V25-A53 HydrophobicContact CG1-CB 3.98Å; A26-A53 CarbonylContact O-C 3.58Å; A26-A53 WeakPolarHBondContact O-CA 3.43Å; A26-A53 VanDerWaalsContact O-CB 3.27Å; A26-A53 WeakPolarHBondContact O-CB 3.42Å; L47-A53 HydrophobicContact CD1-CB 3.78Å; L47-A53 WeakPolarHBondContact CD1-O 3.41Å; I50-A53 HydrophobicContact CB-CB 3.7Å; I50-A53 HydrophobicContact CG2-CB 3.73Å; I50-A53 VanDerWaalsContact O-CB 3.3Å; I50-A53 WeakPolarHBondContact O-CB 3.48Å; I50-A53 PolarHBondContact O-N 3.47Å
54	R	85.9	Confident	87.3	Confident	139 Å²	139	78 Å²	78	53%	0.525	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.6	179.6	-65	-67.9	-176.9	-96.5	1.2	108.8	V25 A26 G52 F67 V72	V25-R54 CarbonylContact C-O 3.5Å; V25-R54 VanDerWaalsContact CA-O 3.31Å; V25-R54 WeakPolarHBondContact CA-O 3.44Å; A26-R54 PolarHBondContact N-O 3.42Å; A26-R54 PolarHBondContact O-N 2.9Å; G52-R54 PolarHBondContact O-NH1 3.32Å; R54-F67 HydrophobicContact CB-CZ 4.13Å; R54-V72 HydrophobicContact CB-CG2 4.46Å; R54-V72 HydrophobicContact CG-CG1 4.25Å; R54-V72 HydrophobicContact CG-CG2 4.19Å
55	L	90	Very high	87.5	Confident	44 Å²	44	75.9 Å²	75.9	23%	0.23	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.9	176.7	175.3	140.8	0	0	0	109.7	Y23 A24 V25 A43 L47 L57	Y23-L55 HydrophobicContact CD1-CD1 4.45Å; Y23-L55 HydrophobicContact CD1-CD2 4.5Å; A24-L55 CarbonylContact O-C 3.59Å; A24-L55 VanDerWaalsContact O-CA 3.29Å; A24-L55 WeakPolarHBondContact O-CA 3.31Å; V25-L55 HydrophobicContact CG2-CB 4.45Å; V25-L55 HydrophobicContact CG2-CD1 3.9Å; V25-L55 HydrophobicContact CG2-CG 4.5Å; A43-L55 HydrophobicContact CB-CD1 3.66Å; L47-L55 HydrophobicContact CD1-CB 3.95Å; L47-L55 HydrophobicContact CD2-CB 3.81Å; L47-L55 HydrophobicContact CD2-CD1 4.4Å; L47-L55 HydrophobicContact CG-CB 4.38Å; L55-L57 HydrophobicContact CD2-CD1 4.46Å
56	K	89.7	Confident	87.4	Confident	110 Å²	110	76 Å²	76	48%	0.478	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	143.8	174.6	-176	170.3	175.1	-175	0	110	A24 F58 F67	A24-K56 PolarHBondContact N-O 3.31Å; A24-K56 PolarHBondContact O-N 3.25Å; K56-F58 HydrophobicContact CB-CD2 4.45Å; K56-F58 HydrophobicContact CB-CE2 3.69Å; K56-F58 HydrophobicContact CB-CZ 4.23Å; K56-F58 HydrophobicContact CD-CE1 4.27Å; K56-F58 HydrophobicContact CD-CE2 3.9Å; K56-F58 HydrophobicContact CD-CZ 3.54Å; K56-F58 HydrophobicContact CG-CD2 4.28Å; K56-F58 HydrophobicContact CG-CE2 3.62Å; K56-F58 HydrophobicContact CG-CZ 3.81Å; K56-F67 HydrophobicContact CB-CD1 4.14Å; K56-F67 HydrophobicContact CB-CE1 3.69Å; K56-F67 HydrophobicContact CB-CE2 4.28Å; K56-F67 HydrophobicContact CB-CZ 3.77Å; K56-F67 HydrophobicContact CD-CD2 4.39Å; K56-F67 HydrophobicContact CD-CE2 4.17Å; K56-F67 HydrophobicContact CD-CZ 4.46Å
57	L	89.7	Confident	87.4	Confident	86 Å²	86	75.1 Å²	75.1	45%	0.45	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	141.9	175.7	-66.3	99.6	0	0	0	110.5	C21 F22 Y23 L55	C21-L57 HydrophobicContact CB-CD2 3.9Å; F22-L57 WeakPolarHBondContact O-CA 3.16Å; Y23-L57 HydrophobicContact CD1-CD2 3.88Å; Y23-L57 HydrophobicContact CD1-CG 3.9Å; Y23-L57 HydrophobicContact CE1-CD1 4.4Å; Y23-L57 HydrophobicContact CE1-CD2 3.35Å; Y23-L57 HydrophobicContact CE1-CG 3.87Å; Y23-L57 HydrophobicContact CE2-CD2 4.45Å; L55-L57 HydrophobicContact CD2-CD1 4.46Å
58	F	90	Very high	87.5	Confident	32 Å²	32	73.2 Å²	73.2	14%	0.14	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	145.8	177.9	-66.7	-92.1	0	0	0	110	C21 F22 A24 K56 D63 A64 F67	C21-F58 CarbonylContact C-O 3.6Å; C21-F58 WeakPolarHBondContact CA-O 3.14Å; F22-F58 PolarHBondContact N-O 3.25Å; F22-F58 PolarHBondContact O-N 2.82Å; A24-F58 HydrophobicContact CB-CD2 3.85Å; A24-F58 HydrophobicContact CB-CE2 3.82Å; K56-F58 HydrophobicContact CB-CD2 4.45Å; K56-F58 HydrophobicContact CB-CE2 3.69Å; K56-F58 HydrophobicContact CB-CZ 4.23Å; K56-F58 HydrophobicContact CD-CE1 4.27Å; K56-F58 HydrophobicContact CD-CE2 3.9Å; K56-F58 HydrophobicContact CD-CZ 3.54Å; K56-F58 HydrophobicContact CG-CD2 4.28Å; K56-F58 HydrophobicContact CG-CE2 3.62Å; K56-F58 HydrophobicContact CG-CZ 3.81Å; F58-D63 HydrophobicContact CD1-CB 3.65Å; F58-D63 HydrophobicContact CE1-CB 4.08Å; F58-D63 HydrophobicContact CG-CB 4.38Å; F58-A64 HydrophobicContact CB-CB 3.88Å; F58-A64 HydrophobicContact CD2-CB 3.99Å; F58-A64 HydrophobicContact CG-CB 4.12Å; F58-F67 HydrophobicContact CE1-CB 4.48Å; F58-F67 HydrophobicContact CE2-CB 3.53Å; F58-F67 AromaticContact CE2-CD1 3.87Å; F58-F67 HydrophobicContact CE2-CD1 3.87Å; F58-F67 HydrophobicContact CE2-CD2 4.3Å; F58-F67 AromaticContact CE2-CG 3.63Å; F58-F67 HydrophobicContact CE2-CG 3.63Å; F58-F67 HydrophobicContact CZ-CB 3.43Å; F58-F67 VanDerWaalsContact CZ-CB 3.43Å; F58-F67 HydrophobicContact CZ-CD1 4.32Å; F58-F67 AromaticContact CZ-CD2 3.94Å; F58-F67 HydrophobicContact CZ-CD2 3.94Å; F58-F67 AromaticContact CZ-CG 3.64Å; F58-F67 HydrophobicContact CZ-CG 3.64Å
59	A	87.5	Confident	87.4	Confident	78 Å²	78	68.3 Å²	68.3	65%	0.645	37%	0.372	S	S	*	.	S	Bend	trans	-78.8	-25.6	172.9	0	0	0	0	0	112.3	F22	F22-A59 WeakPolarHBondContact CE2-O 3.44Å
60	N	86.6	Confident	87.2	Confident	73 Å²	73	68.2 Å²	68.2	39%	0.39	37%	0.368	S	S	.	.	S	Bend	trans	-110	134.7	-177.4	-175.1	8.7	0	0	0	111	V62 D63 A64	N60-V62 VanDerWaalsContact C-N 3.28Å; N60-V62 PolarHBondContact O-N 3.31Å; N60-V62 PolarHBondContact OD1-N 3.18Å; N60-D63 PolarHBondContact ND2-OD1 3.41Å; N60-A64 WeakPolarHBondContact O-CB 3.44Å; N60-A64 PolarHBondContact O-N 2.86Å
61	H	88.1	Confident	86.9	Confident	93 Å²	93	70.6 Å²	70.6	43%	0.431	38%	0.384	S	S	.	.	H	α-helix	trans	-63.9	-33	178	-178.2	-83.6	0	0	0	112.5	F22 A64 N65	F22-H61 HydrophobicContact CD1-CB 4.13Å; F22-H61 AromaticContact CD1-CD2 3.73Å; F22-H61 HydrophobicContact CD2-CB 4.28Å; F22-H61 HydrophobicContact CE1-CB 3.8Å; F22-H61 AromaticContact CE1-CD2 3.61Å; F22-H61 HydrophobicContact CE2-CB 3.98Å; F22-H61 HydrophobicContact CG-CB 4.36Å; F22-H61 HydrophobicContact CZ-CB 3.73Å; H61-A64 WeakPolarHBondContact O-CB 3.43Å; H61-A64 PolarHBondContact O-N 3.21Å; H61-N65 WeakPolarHBondContact O-CB 3.33Å; H61-N65 PolarHBondContact O-N 3.21Å
62	V	89.5	Confident	86.5	Confident	95 Å²	95	66.6 Å²	66.6	58%	0.576	36%	0.36	S	S	*	.	H	α-helix	trans	-63.1	-53	-178	-179.3	0	0	0	0	110.3	N60 A64 N65 E66	N60-V62 VanDerWaalsContact C-N 3.28Å; N60-V62 PolarHBondContact O-N 3.31Å; N60-V62 PolarHBondContact OD1-N 3.18Å; V62-A64 VanDerWaalsContact C-N 3.3Å; V62-A64 PolarHBondContact O-N 3.45Å; V62-N65 PolarHBondContact O-N 3.5Å; V62-N65 VanDerWaalsContact O-N 3.13Å; V62-E66 PolarHBondContact O-N 3.25Å
63	D	90	Very high	85.8	Confident	72 Å²	72	70 Å²	70	39%	0.385	37%	0.37	S	S	.	.	H	α-helix	trans	-63.6	-37.8	179	-47.7	-9.9	0	0	0	111.3	F58 N60 N65 E66 F67	F58-D63 HydrophobicContact CD1-CB 3.65Å; F58-D63 HydrophobicContact CE1-CB 4.08Å; F58-D63 HydrophobicContact CG-CB 4.38Å; N60-D63 PolarHBondContact ND2-OD1 3.41Å; D63-N65 VanDerWaalsContact C-N 3.32Å; D63-N65 PolarHBondContact O-N 3.02Å; D63-E66 PolarHBondContact O-N 3.38Å; D63-F67 PolarHBondContact O-N 3.48Å
64	A	89.8	Confident	84.5	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-59.5	-44.8	174.3	0	0	0	0	0	111.4	F22 A24 V36 F58 N60 H61 V62 F67 A68	F22-A64 HydrophobicContact CB-CB 3.68Å; F22-A64 HydrophobicContact CG-CB 4.47Å; A24-A64 HydrophobicContact CB-CB 4.05Å; A24-A64 WeakPolarHBondContact CB-O 3.07Å; V36-A64 HydrophobicContact CG1-CB 3.75Å; V36-A64 VanDerWaalsContact CG2-C 3.5Å; V36-A64 HydrophobicContact CG2-CB 3.92Å; V36-A64 WeakPolarHBondContact CG2-O 3.46Å; F58-A64 HydrophobicContact CB-CB 3.88Å; F58-A64 HydrophobicContact CD2-CB 3.99Å; F58-A64 HydrophobicContact CG-CB 4.12Å; N60-A64 WeakPolarHBondContact O-CB 3.44Å; N60-A64 PolarHBondContact O-N 2.86Å; H61-A64 WeakPolarHBondContact O-CB 3.43Å; H61-A64 PolarHBondContact O-N 3.21Å; V62-A64 VanDerWaalsContact C-N 3.3Å; V62-A64 PolarHBondContact O-N 3.45Å; A64-F67 PolarHBondContact O-N 3.49Å; A64-A68 WeakPolarHBondContact O-CB 3.46Å; A64-A68 PolarHBondContact O-N 3.49Å
65	N	90.6	Very high	82.9	Confident	71 Å²	71	75.6 Å²	75.6	38%	0.38	40%	0.4	S	S	.	.	H	α-helix	trans	-72.2	-35.7	-179.5	-170.5	62.3	0	0	0	111.8	V36 H61 V62 D63 A68 N69	V36-N65 HydrophobicContact CG2-CB 4.13Å; H61-N65 WeakPolarHBondContact O-CB 3.33Å; H61-N65 PolarHBondContact O-N 3.21Å; V62-N65 PolarHBondContact O-N 3.5Å; V62-N65 VanDerWaalsContact O-N 3.13Å; D63-N65 VanDerWaalsContact C-N 3.32Å; D63-N65 PolarHBondContact O-N 3.02Å; N65-A68 PolarHBondContact O-N 3.31Å; N65-N69 PolarHBondContact ND2-ND2 3.21Å; N65-N69 WeakPolarHBondContact O-CB 3.47Å; N65-N69 PolarHBondContact O-N 3.27Å; N65-N69 VanDerWaalsContact O-N 3.09Å; N65-N69 PolarHBondContact O-ND2 2.66Å; N65-N69 PolarHBondContact OD1-ND2 2.76Å
66	E	89	Confident	80.9	Confident	129 Å²	129	77.9 Å²	77.9	60%	0.603	41%	0.413	S	S	*	.	H	α-helix	trans	-60.5	-46.7	172.4	-172.2	176.3	-178	0	0	110.9	V62 D63 N69 T70	V62-E66 PolarHBondContact O-N 3.25Å; D63-E66 PolarHBondContact O-N 3.38Å; E66-N69 PolarHBondContact O-N 3.07Å; E66-T70 PolarHBondContact O-N 3.16Å; E66-T70 PolarHBondContact O-OG1 3.06Å
67	F	87.3	Confident	79	Confident	53 Å²	53	78.8 Å²	78.8	23%	0.232	42%	0.422	C	S	.	.	H	α-helix	trans	-62.7	-44.9	175.5	-177.6	-96.4	0	0	0	112.6	A24 A26 R54 K56 F58 D63 A64 N69 T70	A24-F67 HydrophobicContact CB-CB 4.32Å; A24-F67 HydrophobicContact CB-CD1 3.69Å; A24-F67 HydrophobicContact CB-CG 4.44Å; A26-F67 HydrophobicContact CB-CD1 3.99Å; A26-F67 HydrophobicContact CB-CE1 3.68Å; A26-F67 HydrophobicContact CB-CZ 4.09Å; A26-F67 VanDerWaalsContact CB-O 3.31Å; A26-F67 WeakPolarHBondContact CB-O 3.44Å; R54-F67 HydrophobicContact CB-CZ 4.13Å; K56-F67 HydrophobicContact CB-CD1 4.14Å; K56-F67 HydrophobicContact CB-CE1 3.69Å; K56-F67 HydrophobicContact CB-CE2 4.28Å; K56-F67 HydrophobicContact CB-CZ 3.77Å; K56-F67 HydrophobicContact CD-CD2 4.39Å; K56-F67 HydrophobicContact CD-CE2 4.17Å; K56-F67 HydrophobicContact CD-CZ 4.46Å; F58-F67 HydrophobicContact CE1-CB 4.48Å; F58-F67 HydrophobicContact CE2-CB 3.53Å; F58-F67 AromaticContact CE2-CD1 3.87Å; F58-F67 HydrophobicContact CE2-CD1 3.87Å; F58-F67 HydrophobicContact CE2-CD2 4.3Å; F58-F67 AromaticContact CE2-CG 3.63Å; F58-F67 HydrophobicContact CE2-CG 3.63Å; F58-F67 HydrophobicContact CZ-CB 3.43Å; F58-F67 VanDerWaalsContact CZ-CB 3.43Å; F58-F67 HydrophobicContact CZ-CD1 4.32Å; F58-F67 AromaticContact CZ-CD2 3.94Å; F58-F67 HydrophobicContact CZ-CD2 3.94Å; F58-F67 AromaticContact CZ-CG 3.64Å; F58-F67 HydrophobicContact CZ-CG 3.64Å; D63-F67 PolarHBondContact O-N 3.48Å; A64-F67 PolarHBondContact O-N 3.49Å; F67-N69 PolarHBondContact O-N 2.94Å; F67-T70 PolarHBondContact O-N 2.68Å; F67-T70 VanDerWaalsContact O-N 3.15Å
68	A	87.7	Confident	76.8	Confident	5 Å²	5	80.4 Å²	80.4	4%	0.041	44%	0.439	C	S	.	.	H	α-helix	trans	-62.9	-29.6	-179.7	0	0	0	0	0	113.4	A24 V36 A64 N65	A24-A68 HydrophobicContact CB-CB 4.35Å; V36-A68 HydrophobicContact CG2-CB 3.88Å; A64-A68 WeakPolarHBondContact O-CB 3.46Å; A64-A68 PolarHBondContact O-N 3.49Å; N65-A68 PolarHBondContact O-N 3.31Å
69	N	86.5	Confident	74.4	Confident	111 Å²	111	84.1 Å²	84.1	59%	0.594	46%	0.461	S	S	*	.	H	α-helix	trans	-91.4	-11.5	177.6	-68.3	-49.3	0	0	0	113.6	N65 E66 F67 P71	N65-N69 PolarHBondContact ND2-ND2 3.21Å; N65-N69 WeakPolarHBondContact O-CB 3.47Å; N65-N69 PolarHBondContact O-N 3.27Å; N65-N69 VanDerWaalsContact O-N 3.09Å; N65-N69 PolarHBondContact O-ND2 2.66Å; N65-N69 PolarHBondContact OD1-ND2 2.76Å; E66-N69 PolarHBondContact O-N 3.07Å; F67-N69 PolarHBondContact O-N 2.94Å; N69-P71 VanDerWaalsContact O-CD 3.3Å; N69-P71 WeakPolarHBondContact O-CD 3.45Å
70	T	81.8	Confident	72.6	Confident	76 Å²	76	84.7 Å²	84.7	47%	0.466	46%	0.458	S	S	.	.	S	Bend	trans	-73.5	116.6	174.2	-58	0	0	0	0	108.3	E66 F67 V72	E66-T70 PolarHBondContact O-N 3.16Å; E66-T70 PolarHBondContact O-OG1 3.06Å; F67-T70 PolarHBondContact O-N 2.68Å; F67-T70 VanDerWaalsContact O-N 3.15Å; T70-V72 PolarHBondContact O-N 3.18Å
71	P	77.4	Confident	70.6	Confident	58 Å²	58	89.4 Å²	89.4	38%	0.377	47%	0.471	S	S	.	.			trans	-68.6	135.6	-178.8	27.4	-32.3	0	0	0	110.7	L29 N69 D73	L29-P71 HydrophobicContact CB-CB 4.37Å; L29-P71 HydrophobicContact CD1-CB 3.38Å; L29-P71 HydrophobicContact CD1-CG 3.72Å; L29-P71 HydrophobicContact CG-CB 3.46Å; L29-P71 VanDerWaalsContact CG-CB 3.46Å; L29-P71 HydrophobicContact CG-CG 4.13Å; N69-P71 VanDerWaalsContact O-CD 3.3Å; N69-P71 WeakPolarHBondContact O-CD 3.45Å; P71-D73 PolarHBondContact O-N 3.49Å
72	V	72.3	Confident	68.5	Low	31 Å²	31	90 Å²	90	19%	0.188	48%	0.484	C	S	.	.	B	Isolated β-bridge	trans	-76.3	111.2	176.4	-176.1	0	0	0	0	108	A26 S27 P28 R54 T70 E74	A26-V72 HydrophobicContact CB-CG2 3.77Å; S27-V72 PolarHBondContact O-N 2.91Å; P28-V72 HydrophobicContact CB-CB 4.5Å; P28-V72 HydrophobicContact CG-CB 4.25Å; R54-V72 HydrophobicContact CB-CG2 4.46Å; R54-V72 HydrophobicContact CG-CG1 4.25Å; R54-V72 HydrophobicContact CG-CG2 4.19Å; T70-V72 PolarHBondContact O-N 3.18Å; V72-E74 PolarHBondContact O-N 3.47Å; V72-E74 VanDerWaalsContact O-N 3.12Å
73	D	66.7	Low	66.4	Low	105 Å²	105	90 Å²	90	56%	0.561	49%	0.485	S	S	*	.			trans	-54.4	114.8	178	-73.1	-33.4	0	0	0	111	P71 E75	P71-D73 PolarHBondContact O-N 3.49Å; D73-E75 VanDerWaalsContact C-N 3.26Å; D73-E75 PolarHBondContact O-N 3.43Å
74	E	59.2	Low	64.3	Low	75 Å²	75	90.9 Å²	90.9	35%	0.35	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-71.1	-24.5	174.6	-68.4	-159.2	130.5	0	0	111.7	P28 S30 K31 V72 N76 L77	P28-E74 HydrophobicContact CB-CG 3.82Å; S30-E74 VanDerWaalsContact OG-CD 3.24Å; S30-E74 PolarHBondContact OG-OE1 3.31Å; S30-E74 PolarHBondContact OG-OE2 3.39Å; K31-E74 WeakPolarHBondContact CE-OE1 3.41Å; K31-E74 IonicContact NZ-OE1 2.72Å; K31-E74 PolarHBondContact NZ-OE1 3.3Å; V72-E74 PolarHBondContact O-N 3.47Å; V72-E74 VanDerWaalsContact O-N 3.12Å; E74-N76 PolarHBondContact O-N 3.47Å; E74-L77 HydrophobicContact CB-CD1 4.08Å; E74-L77 HydrophobicContact CG-CD1 4.41Å; E74-L77 WeakPolarHBondContact O-CB 3.46Å; E74-L77 WeakPolarHBondContact O-CD1 3.42Å; E74-L77 PolarHBondContact O-N 3.27Å; E74-L77 VanDerWaalsContact O-N 3.08Å
75	E	51.5	Low	62.1	Low	190 Å²	190	96.5 Å²	96.5	89%	0.888	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-69.2	-19.2	-176.1	-63.7	-167.4	170.8	0	0	113.3	D73	D73-E75 VanDerWaalsContact C-N 3.26Å; D73-E75 PolarHBondContact O-N 3.43Å
76	N	47.2	Very low	59.9	Low	92 Å²	92	102.3 Å²	102.3	49%	0.492	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-93.8	18.1	173.5	-78.8	-36.3	0	0	0	113.6	E74 C78 N79 P80	E74-N76 PolarHBondContact O-N 3.47Å; N76-C78 PolarHBondContact O-N 2.94Å; N76-N79 PolarHBondContact O-N 2.98Å; N76-P80 HydrophobicContact CB-CB 4.38Å; N76-P80 WeakPolarHBondContact O-CD 3.48Å
77	L	50.7	Low	58	Low	129 Å²	129	99.4 Å²	99.4	68%	0.675	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-63.2	-14.4	168.2	-97	98.4	0	0	0	113.5	E74 N79	E74-L77 HydrophobicContact CB-CD1 4.08Å; E74-L77 HydrophobicContact CG-CD1 4.41Å; E74-L77 WeakPolarHBondContact O-CB 3.46Å; E74-L77 WeakPolarHBondContact O-CD1 3.42Å; E74-L77 PolarHBondContact O-N 3.27Å; E74-L77 VanDerWaalsContact O-N 3.08Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.11Å
78	C	43.4	Very low	56.3	Low	120 Å²	120	104.7 Å²	104.7	81%	0.811	58%	0.584	S	S	*	*	S	Bend	trans	-88.4	74	162.4	-82	0	0	0	0	110.1	N76	N76-C78 PolarHBondContact O-N 2.94Å
79	N	40.6	Very low	54.9	Low	111 Å²	111	109.2 Å²	109.2	59%	0.594	61%	0.611	S	S	*	*			trans	42.5	96.3	166.1	-82.6	-13.9	0	0	0	116.1	N76 L77 Y81	N76-N79 PolarHBondContact O-N 2.98Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.11Å; N79-Y81 WeakPolarHBondContact CB-O 3.32Å; N79-Y81 PolarHBondContact O-N 2.99Å; N79-Y81 VanDerWaalsContact O-O 3.11Å
80	P	48.4	Very low	54	Low	89 Å²	89	107.9 Å²	107.9	58%	0.578	60%	0.601	S	S	*	*	S	Bend	trans	-71.5	8.3	171	31.1	-32.2	0	0	0	113.2	N76	N76-P80 HydrophobicContact CB-CB 4.38Å; N76-P80 WeakPolarHBondContact O-CD 3.48Å
81	Y	45.6	Very low	53.7	Low	172 Å²	172	108.5 Å²	108.5	68%	0.675	61%	0.609	S	S	*	*	S	Bend	trans	-113.5	133.5	165.3	-62.5	-79.9	0	0	0	106.2	N79 P83	N79-Y81 WeakPolarHBondContact CB-O 3.32Å; N79-Y81 PolarHBondContact O-N 2.99Å; N79-Y81 VanDerWaalsContact O-O 3.11Å; Y81-P83 VanDerWaalsContact O-N 3.14Å
82	P	43.8	Very low	54.1	Low	107 Å²	107	107 Å²	107	70%	0.695	60%	0.599	S	S	*	*			trans	-45.9	133.3	161.4	23.3	-32.2	0	0	0	106	S84	P82-S84 PolarHBondContact O-N 3.43Å
83	P	44.3	Very low	54.9	Low	93 Å²	93	109.6 Å²	109.6	60%	0.604	62%	0.617	S	S	*	*			trans	-45.6	113.6	-178.1	18.8	-31	0	0	0	105.4	Y81 P85	Y81-P83 VanDerWaalsContact O-N 3.14Å; P83-P85 WeakPolarHBondContact O-CA 3.32Å
84	S	45.6	Very low	56	Low	91 Å²	91	107.2 Å²	107.2	64%	0.636	60%	0.601	S	S	*	*			trans	-45.8	116.1	179.8	-54.7	0	0	0	0	103.6	P82 K86	P82-S84 PolarHBondContact O-N 3.43Å; S84-K86 VanDerWaalsContact O-CA 3.23Å; S84-K86 WeakPolarHBondContact O-CA 3.48Å; S84-K86 PolarHBondContact O-N 2.89Å
85	P	43.9	Very low	57.6	Low	119 Å²	119	108.1 Å²	108.1	77%	0.773	61%	0.613	S	S	*	*			trans	-44.5	111.2	-159.6	14.5	-30	0	0	0	104.7	P83 A87	P83-P85 WeakPolarHBondContact O-CA 3.32Å; P85-A87 WeakPolarHBondContact O-CA 3.47Å; P85-A87 PolarHBondContact O-N 2.93Å
86	K	45.7	Very low	59.4	Low	193 Å²	193	102.8 Å²	102.8	84%	0.839	60%	0.597	S	S	*	*			trans	-34.4	104.9	-159.7	-86	-178.6	-178.8	176.5	0	103.3	S84 D88	S84-K86 VanDerWaalsContact O-CA 3.23Å; S84-K86 WeakPolarHBondContact O-CA 3.48Å; S84-K86 PolarHBondContact O-N 2.89Å; K86-D88 PolarHBondContact O-N 2.87Å
87	A	47.4	Very low	61.5	Low	67 Å²	67	99.5 Å²	99.5	55%	0.554	58%	0.582	S	S	*	*			trans	-50.7	126.8	-168.2	0	0	0	0	0	102.1	P85 V89	P85-A87 WeakPolarHBondContact O-CA 3.47Å; P85-A87 PolarHBondContact O-N 2.93Å; A87-V89 HydrophobicContact CB-CG2 3.36Å; A87-V89 WeakPolarHBondContact O-CG2 3.19Å; A87-V89 PolarHBondContact O-N 3.17Å
88	D	51.6	Low	63.5	Low	164 Å²	164	96.2 Å²	96.2	88%	0.877	57%	0.57	S	S	*	*			trans	-70.5	61.2	-176.4	-150.9	12.2	0	0	0	104.1	K86 E90	K86-D88 PolarHBondContact O-N 2.87Å; D88-E90 PolarHBondContact O-N 3.14Å
89	V	58.6	Low	65.7	Low	100 Å²	100	97.8 Å²	97.8	61%	0.606	57%	0.565	S	S	*	*			trans	-76.3	96.5	-170.6	177.4	0	0	0	0	98	A87 S91	A87-V89 HydrophobicContact CB-CG2 3.36Å; A87-V89 WeakPolarHBondContact O-CG2 3.19Å; A87-V89 PolarHBondContact O-N 3.17Å; V89-S91 WeakPolarHBondContact O-CA 3.4Å; V89-S91 WeakPolarHBondContact O-CB 3.4Å; V89-S91 PolarHBondContact O-N 3.32Å
90	E	68.2	Low	68.2	Low	83 Å²	83	99.3 Å²	99.3	39%	0.388	57%	0.569	S	S	.	*			trans	-48	88.5	163.7	-62.3	178.6	175.9	0	0	106.1	D88 Y176 V179 R187	D88-E90 PolarHBondContact O-N 3.14Å; E90-Y176 HydrophobicContact CB-CD1 4.3Å; E90-Y176 WeakPolarHBondContact O-CE1 3.37Å; E90-V179 HydrophobicContact CB-CG2 4.2Å; E90-V179 VanDerWaalsContact CD-CG2 3.43Å; E90-V179 HydrophobicContact CG-CG2 3.91Å; E90-V179 WeakPolarHBondContact OE2-CG2 3.36Å; E90-R187 IonicContact OE2-CZ 2.9Å; E90-R187 IonicContact OE2-NH1 3.35Å; E90-R187 PolarHBondContact OE2-NH1 3.11Å; E90-R187 IonicContact OE2-NH2 3.49Å; E90-R187 PolarHBondContact OE2-NH2 3.08Å
91	S	76.3	Confident	70.4	Confident	90 Å²	90	97.5 Å²	97.5	63%	0.629	56%	0.557	S	S	*	*			trans	-94.1	122.7	-169.6	67.9	0	0	0	0	107	V89	V89-S91 WeakPolarHBondContact O-CA 3.4Å; V89-S91 WeakPolarHBondContact O-CB 3.4Å; V89-S91 PolarHBondContact O-N 3.32Å
92	S	85.2	Confident	72.7	Confident	25 Å²	25	90.8 Å²	90.8	18%	0.175	53%	0.532	C	S	.	.			trans	-62.6	139.8	174.4	-169.2	0	0	0	0	110.5	Y94 L175	S92-Y94 PolarHBondContact O-N 3.33Å; S92-Y94 PolarHBondContact OG-N 3.47Å; S92-L175 VanDerWaalsContact CA-O 3.31Å; S92-L175 WeakPolarHBondContact CA-O 3.44Å; S92-L175 WeakPolarHBondContact CB-O 3.07Å; S92-L175 WeakPolarHBondContact OG-CD1 3.35Å; S92-L175 PolarHBondContact OG-O 2.82Å
93	P	88.1	Confident	75.1	Confident	86 Å²	86	90.6 Å²	90.6	56%	0.558	53%	0.529	S	S	*	.	S	Bend	trans	-69.7	-6.2	171.5	29.1	-33.1	0	0	0	112.4	L175 P177	P93-L175 VanDerWaalsContact CD-O 3.29Å; P93-L175 WeakPolarHBondContact CD-O 3.49Å; P93-P177 HydrophobicContact CG-CG 4.29Å
94	Y	91.4	Very high	77.6	Confident	56 Å²	56	93.9 Å²	93.9	22%	0.22	53%	0.529	C	S	.	.	S	Bend	trans	-100	135.8	-179.4	-61.9	-83.7	0	0	0	111.8	S92 N124 P125 R174 L175	S92-Y94 PolarHBondContact O-N 3.33Å; S92-Y94 PolarHBondContact OG-N 3.47Å; Y94-N124 WeakPolarHBondContact CB-OD1 3.43Å; Y94-P125 HydrophobicContact CD1-CG 4.19Å; Y94-P125 HydrophobicContact CD2-CG 3.52Å; Y94-P125 HydrophobicContact CE1-CG 4.31Å; Y94-P125 HydrophobicContact CE2-CG 3.69Å; Y94-P125 HydrophobicContact CG-CG 3.82Å; Y94-R174 HydrophobicContact CE2-CG 3.96Å; Y94-R174 WeakPolarHBondContact CE2-O 3.34Å; Y94-R174 PolarHBondContact OH-NE 3.22Å; Y94-R174 PolarHBondContact OH-NH2 2.91Å; Y94-R174 VanDerWaalsContact OH-NH2 3.08Å; Y94-L175 HydrophobicContact CD2-CD1 4.49Å
95	P	91.1	Very high	80	Confident	94 Å²	94	89.6 Å²	89.6	61%	0.61	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-69.7	151.9	174.8	30.2	-34.5	0	0	0	111	A97 N124	P95-A97 PolarHBondContact O-N 2.88Å; P95-N124 PolarHBondContact O-ND2 2.9Å
96	S	90.5	Very high	82.4	Confident	77 Å²	77	87.1 Å²	87.1	54%	0.538	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-57.2	139	171.7	-65.7	0	0	0	0	111.2	S98 T131	S96-S98 PolarHBondContact O-N 3.43Å; S96-T131 WeakPolarHBondContact OG-CG2 3.41Å
97	A	90.7	Very high	84.8	Confident	23 Å²	23	81.2 Å²	81.2	19%	0.19	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-65	131.2	-178.1	0	0	0	0	0	111.7	P95 L102 I127	P95-A97 PolarHBondContact O-N 2.88Å; A97-L102 HydrophobicContact CB-CD2 3.77Å; A97-L102 HydrophobicContact CB-CG 4.1Å; A97-I127 HydrophobicContact CB-CG1 4.35Å
98	S	92	Very high	87.1	Confident	60 Å²	60	81 Å²	81	42%	0.42	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-69.7	151.6	175.9	86	0	0	0	0	111.4	S96 Q100 T101 L102	S96-S98 PolarHBondContact O-N 3.43Å; S98-Q100 VanDerWaalsContact C-N 3.26Å; S98-Q100 PolarHBondContact O-N 2.91Å; S98-T101 WeakPolarHBondContact O-CB 3.47Å; S98-T101 PolarHBondContact O-N 3.09Å; S98-T101 PolarHBondContact OG-N 3.49Å; S98-T101 PolarHBondContact OG-OG1 3.46Å; S98-L102 WeakPolarHBondContact O-CG 3.36Å; S98-L102 PolarHBondContact O-N 3.42Å
99	Q	91.1	Very high	89.2	Confident	153 Å²	153	73.3 Å²	73.3	72%	0.715	40%	0.404	S	S	*	.	H	α-helix	trans	-57.9	-37.2	177.8	-69.5	-177.5	-8.4	0	0	112.8	T101 L102 V103	Q99-T101 VanDerWaalsContact C-N 3.33Å; Q99-T101 PolarHBondContact O-N 2.86Å; Q99-L102 PolarHBondContact O-N 2.72Å; Q99-V103 WeakPolarHBondContact O-CG2 3.43Å; Q99-V103 PolarHBondContact O-N 3.37Å
100	Q	92.3	Very high	90.9	Very high	143 Å²	143	71.4 Å²	71.4	67%	0.668	39%	0.391	S	S	*	.	H	α-helix	trans	-64	-40.8	176.6	-63.8	-177.2	12.2	0	0	111.5	S98 L102 V103 R104	S98-Q100 VanDerWaalsContact C-N 3.26Å; S98-Q100 PolarHBondContact O-N 2.91Å; Q100-L102 VanDerWaalsContact C-N 3.33Å; Q100-V103 PolarHBondContact O-N 3.11Å; Q100-R104 WeakPolarHBondContact O-CG 3.49Å; Q100-R104 PolarHBondContact O-N 3.15Å
101	T	94.8	Very high	92.1	Very high	52 Å²	52	71.4 Å²	71.4	32%	0.319	40%	0.4	S	S	.	.	H	α-helix	trans	-62.7	-41.6	174.8	-51.6	0	0	0	0	110.9	S98 Q99 R104 F105 M120 I127	S98-T101 WeakPolarHBondContact O-CB 3.47Å; S98-T101 PolarHBondContact O-N 3.09Å; S98-T101 PolarHBondContact OG-N 3.49Å; S98-T101 PolarHBondContact OG-OG1 3.46Å; Q99-T101 VanDerWaalsContact C-N 3.33Å; Q99-T101 PolarHBondContact O-N 2.86Å; T101-R104 PolarHBondContact O-N 2.98Å; T101-F105 WeakPolarHBondContact O-CB 3.21Å; T101-F105 PolarHBondContact O-N 2.85Å; T101-M120 HydrophobicContact CG2-CE 3.91Å; T101-I127 HydrophobicContact CG2-CD1 3.91Å
102	L	94.8	Very high	93	Very high	30 Å²	30	68.2 Å²	68.2	16%	0.157	38%	0.381	C	S	.	.	H	α-helix	trans	-66.8	-39.1	178.1	-65.1	179	0	0	0	113.1	A97 S98 Q99 Q100 R104 F105 R106 I127 T136 L138	A97-L102 HydrophobicContact CB-CD2 3.77Å; A97-L102 HydrophobicContact CB-CG 4.1Å; S98-L102 WeakPolarHBondContact O-CG 3.36Å; S98-L102 PolarHBondContact O-N 3.42Å; Q99-L102 PolarHBondContact O-N 2.72Å; Q100-L102 VanDerWaalsContact C-N 3.33Å; L102-R104 VanDerWaalsContact C-N 3.35Å; L102-F105 PolarHBondContact O-N 3.18Å; L102-R106 WeakPolarHBondContact O-CB 3.42Å; L102-R106 PolarHBondContact O-N 2.87Å; L102-I127 HydrophobicContact CD2-CG1 3.82Å; L102-T136 HydrophobicContact CD1-CG2 3.88Å; L102-T136 HydrophobicContact CD2-CG2 3.54Å; L102-T136 HydrophobicContact CG-CG2 4.37Å; L102-L138 HydrophobicContact CB-CD2 4.49Å; L102-L138 HydrophobicContact CD2-CD2 4.13Å
103	V	94	Very high	93.4	Very high	104 Å²	104	70.4 Å²	70.4	63%	0.63	39%	0.391	S	S	*	.	H	α-helix	trans	-62.9	-43.7	173.8	172.6	0	0	0	0	110.6	Q99 Q100 S107	Q99-V103 WeakPolarHBondContact O-CG2 3.43Å; Q99-V103 PolarHBondContact O-N 3.37Å; Q100-V103 PolarHBondContact O-N 3.11Å; V103-S107 PolarHBondContact O-N 2.91Å
104	R	95.1	Very high	93.8	Very high	162 Å²	162	68.3 Å²	68.3	61%	0.611	38%	0.377	S	S	*	.	H	α-helix	trans	-62	-45.4	174.2	-71.3	177.6	-175.1	-178.9	3.3	111.6	Q100 T101 L102 R106 S107 M108 M120	Q100-R104 WeakPolarHBondContact O-CG 3.49Å; Q100-R104 PolarHBondContact O-N 3.15Å; T101-R104 PolarHBondContact O-N 2.98Å; L102-R104 VanDerWaalsContact C-N 3.35Å; R104-R106 VanDerWaalsContact C-N 3.35Å; R104-R106 PolarHBondContact O-N 3.47Å; R104-S107 WeakPolarHBondContact O-CB 3.49Å; R104-S107 PolarHBondContact O-N 3.21Å; R104-S107 VanDerWaalsContact O-N 3.13Å; R104-M108 WeakPolarHBondContact O-CG 3.36Å; R104-M108 PolarHBondContact O-N 3.5Å; R104-M120 HydrophobicContact CB-CE 4.35Å
105	F	96.4	Very high	94	Very high	1 Å²	1	71.7 Å²	71.7	0%	0.004	40%	0.398	C	S	.	.	H	α-helix	trans	-59.6	-45.8	179.6	-176.9	-113.1	0	0	0	112	T101 L102 S107 M108 L109 V117 M120 V121 I127 L128 L138	T101-F105 WeakPolarHBondContact O-CB 3.21Å; T101-F105 PolarHBondContact O-N 2.85Å; L102-F105 PolarHBondContact O-N 3.18Å; F105-S107 VanDerWaalsContact C-N 3.33Å; F105-S107 PolarHBondContact O-N 3.04Å; F105-M108 WeakPolarHBondContact O-CB 3.16Å; F105-M108 PolarHBondContact O-N 3.13Å; F105-M108 VanDerWaalsContact O-N 3.12Å; F105-L109 HydrophobicContact CD1-CD1 3.93Å; F105-L109 HydrophobicContact CD1-CG 4.46Å; F105-L109 HydrophobicContact CE1-CD1 3.62Å; F105-L109 HydrophobicContact CE1-CG 4.23Å; F105-L109 HydrophobicContact CZ-CD1 4.19Å; F105-L109 HydrophobicContact CZ-CD2 4.36Å; F105-L109 HydrophobicContact CZ-CG 4.39Å; F105-L109 WeakPolarHBondContact O-CG 3.28Å; F105-L109 PolarHBondContact O-N 3.14Å; F105-V117 HydrophobicContact CE2-CB 4.46Å; F105-V117 HydrophobicContact CE2-CG1 3.76Å; F105-V117 HydrophobicContact CZ-CG1 4.13Å; F105-M120 HydrophobicContact CB-CE 3.71Å; F105-M120 HydrophobicContact CB-SD 4.33Å; F105-M120 HydrophobicContact CD2-CB 4.18Å; F105-M120 HydrophobicContact CD2-CE 4.1Å; F105-M120 HydrophobicContact CD2-SD 3.98Å; F105-M120 HydrophobicContact CG-CE 4.41Å; F105-V121 HydrophobicContact CE2-CG2 4.1Å; F105-V121 HydrophobicContact CZ-CG2 4.36Å; F105-I127 HydrophobicContact CB-CD1 3.68Å; F105-I127 HydrophobicContact CB-CG1 4.27Å; F105-I127 HydrophobicContact CD1-CD1 4.25Å; F105-I127 HydrophobicContact CD1-CG1 4.11Å; F105-I127 HydrophobicContact CD2-CD1 3.49Å; F105-I127 VanDerWaalsContact CD2-CD1 3.49Å; F105-I127 HydrophobicContact CD2-CG1 4.13Å; F105-I127 HydrophobicContact CE1-CG1 4.47Å; F105-I127 HydrophobicContact CE2-CD1 4.13Å; F105-I127 HydrophobicContact CE2-CG1 4.47Å; F105-I127 HydrophobicContact CE2-CG2 4.22Å; F105-I127 HydrophobicContact CG-CD1 3.55Å; F105-I127 HydrophobicContact CG-CG1 3.92Å; F105-I127 HydrophobicContact CZ-CG2 4.32Å; F105-L128 HydrophobicContact CE1-CD2 4.14Å; F105-L128 HydrophobicContact CZ-CD2 3.74Å; F105-L138 HydrophobicContact CD1-CD1 4.04Å; F105-L138 HydrophobicContact CD1-CD2 3.8Å; F105-L138 HydrophobicContact CE1-CD1 4.19Å; F105-L138 HydrophobicContact CE1-CD2 4.37Å
106	R	95.5	Very high	94.2	Very high	66 Å²	66	68.3 Å²	68.3	25%	0.249	38%	0.378	C	S	.	.	H	α-helix	trans	-58.9	-44.7	173.7	179.3	-179.3	169.2	-176.7	1.7	112.2	L102 R104 M108 L109 D110 L138 Q139	L102-R106 WeakPolarHBondContact O-CB 3.42Å; L102-R106 PolarHBondContact O-N 2.87Å; R104-R106 VanDerWaalsContact C-N 3.35Å; R104-R106 PolarHBondContact O-N 3.47Å; R106-M108 PolarHBondContact O-N 3.15Å; R106-L109 WeakPolarHBondContact O-CB 3.33Å; R106-L109 PolarHBondContact O-N 3.15Å; R106-L109 VanDerWaalsContact O-N 3.12Å; R106-D110 IonicContact NE-OD2 3.74Å; R106-D110 WeakPolarHBondContact O-CB 3.47Å; R106-D110 PolarHBondContact O-N 3.17Å; R106-L138 HydrophobicContact CB-CB 4.38Å; R106-L138 HydrophobicContact CB-CD1 4.44Å; R106-Q139 VanDerWaalsContact NH1-CD 3.35Å
107	S	94.9	Very high	94.6	Very high	69 Å²	69	64.7 Å²	64.7	48%	0.483	35%	0.353	S	S	.	.	H	α-helix	trans	-57.9	-38	175.8	-172.8	0	0	0	0	112	V103 R104 F105 D110 S111	V103-S107 PolarHBondContact O-N 2.91Å; R104-S107 WeakPolarHBondContact O-CB 3.49Å; R104-S107 PolarHBondContact O-N 3.21Å; R104-S107 VanDerWaalsContact O-N 3.13Å; F105-S107 VanDerWaalsContact C-N 3.33Å; F105-S107 PolarHBondContact O-N 3.04Å; S107-D110 PolarHBondContact O-N 3.12Å; S107-S111 WeakPolarHBondContact O-CB 3.36Å; S107-S111 PolarHBondContact O-N 3.12Å; S107-S111 PolarHBondContact O-OG 3.38Å
108	M	96.6	Very high	94.8	Very high	64 Å²	64	68.3 Å²	68.3	32%	0.315	37%	0.365	S	S	.	.	H	α-helix	trans	-69.1	-37.7	175.1	-61.3	-57.7	163.4	0	0	112.8	R104 F105 R106 S111 G112 N113 A116 V117 M120	R104-M108 WeakPolarHBondContact O-CG 3.36Å; R104-M108 PolarHBondContact O-N 3.5Å; F105-M108 WeakPolarHBondContact O-CB 3.16Å; F105-M108 PolarHBondContact O-N 3.13Å; F105-M108 VanDerWaalsContact O-N 3.12Å; R106-M108 PolarHBondContact O-N 3.15Å; M108-S111 WeakPolarHBondContact CA-OG 3.46Å; M108-S111 PolarHBondContact O-OG 3.37Å; M108-S111 VanDerWaalsContact O-OG 3.07Å; M108-G112 PolarHBondContact O-N 3.3Å; M108-G112 VanDerWaalsContact O-N 3.12Å; M108-N113 PolarHBondContact O-N 3.45Å; M108-A116 HydrophobicContact CG-CB 4.31Å; M108-A116 HydrophobicContact SD-CB 4.07Å; M108-V117 HydrophobicContact CB-CG2 3.81Å; M108-M120 HydrophobicContact CG-SD 4.07Å
109	L	96.1	Very high	95.1	Very high	1 Å²	1	71.8 Å²	71.8	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-64.7	-44.4	172.7	-67.7	174	0	0	0	111.7	F105 R106 S111 G112 V117 L138 A146 V149 I150 L158	F105-L109 HydrophobicContact CD1-CD1 3.93Å; F105-L109 HydrophobicContact CD1-CG 4.46Å; F105-L109 HydrophobicContact CE1-CD1 3.62Å; F105-L109 HydrophobicContact CE1-CG 4.23Å; F105-L109 HydrophobicContact CZ-CD1 4.19Å; F105-L109 HydrophobicContact CZ-CD2 4.36Å; F105-L109 HydrophobicContact CZ-CG 4.39Å; F105-L109 WeakPolarHBondContact O-CG 3.28Å; F105-L109 PolarHBondContact O-N 3.14Å; R106-L109 WeakPolarHBondContact O-CB 3.33Å; R106-L109 PolarHBondContact O-N 3.15Å; R106-L109 VanDerWaalsContact O-N 3.12Å; L109-S111 VanDerWaalsContact C-N 3.32Å; L109-S111 PolarHBondContact O-N 2.89Å; L109-G112 PolarHBondContact O-N 3.1Å; L109-G112 VanDerWaalsContact O-N 3.14Å; L109-V117 HydrophobicContact CD2-CG1 3.96Å; L109-V117 HydrophobicContact CD2-CG2 3.81Å; L109-V117 HydrophobicContact CG-CG2 4.29Å; L109-L138 HydrophobicContact CD1-CD1 3.38Å; L109-A146 HydrophobicContact CD1-CB 4Å; L109-V149 HydrophobicContact CB-CG1 4.07Å; L109-I150 HydrophobicContact CD2-CD1 3.98Å; L109-I150 HydrophobicContact CD2-CG1 3.97Å; L109-L158 HydrophobicContact CD2-CD1 4.07Å; L109-L158 HydrophobicContact CD2-CD2 4.39Å
110	D	93.6	Very high	95.4	Very high	60 Å²	60	66 Å²	66	32%	0.321	35%	0.345	S	S	.	.	H	α-helix	trans	-65	-35	-180	-82.8	-41.7	0	0	0	112.3	R106 S107 G112 V149 K153	R106-D110 IonicContact NE-OD2 3.74Å; R106-D110 WeakPolarHBondContact O-CB 3.47Å; R106-D110 PolarHBondContact O-N 3.17Å; S107-D110 PolarHBondContact O-N 3.12Å; D110-G112 VanDerWaalsContact C-N 3.34Å; D110-V149 WeakPolarHBondContact OD1-CG1 3.06Å; D110-K153 WeakPolarHBondContact OD1-CE 3.34Å; D110-K153 IonicContact OD1-NZ 3.13Å
111	S	94.2	Very high	95.5	Very high	83 Å²	83	59.3 Å²	59.3	58%	0.58	31%	0.314	S	S	*	.	H	α-helix	trans	-80.6	-11.9	175	55.5	0	0	0	0	113.9	S107 M108 L109	S107-S111 WeakPolarHBondContact O-CB 3.36Å; S107-S111 PolarHBondContact O-N 3.12Å; S107-S111 PolarHBondContact O-OG 3.38Å; M108-S111 WeakPolarHBondContact CA-OG 3.46Å; M108-S111 PolarHBondContact O-OG 3.37Å; M108-S111 VanDerWaalsContact O-OG 3.07Å; L109-S111 VanDerWaalsContact C-N 3.32Å; L109-S111 PolarHBondContact O-N 2.89Å
112	G	93.5	Very high	95.5	Very high	23 Å²	23	60.7 Å²	60.7	24%	0.237	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	17.8	177.1	0	0	0	0	0	115.8	M108 L109 D110 V114 N155	M108-G112 PolarHBondContact O-N 3.3Å; M108-G112 VanDerWaalsContact O-N 3.12Å; L109-G112 PolarHBondContact O-N 3.1Å; L109-G112 VanDerWaalsContact O-N 3.14Å; D110-G112 VanDerWaalsContact C-N 3.34Å; G112-V114 PolarHBondContact O-N 3.1Å; G112-V114 VanDerWaalsContact O-N 3.14Å; G112-N155 WeakPolarHBondContact CA-ND2 3.47Å; G112-N155 PolarHBondContact O-ND2 2.95Å
113	N	94.5	Very high	95.5	Very high	71 Å²	71	65 Å²	65	38%	0.38	34%	0.339	S	S	.	.			trans	-80.3	93.6	-176.8	-171.3	-25.9	0	0	0	111.9	M108 D115 A116 V117	M108-N113 PolarHBondContact O-N 3.45Å; N113-D115 PolarHBondContact O-N 3.48Å; N113-D115 PolarHBondContact OD1-N 3.39Å; N113-A116 HydrophobicContact CB-CB 4.05Å; N113-A116 VanDerWaalsContact CG-CB 3.42Å; N113-A116 WeakPolarHBondContact OD1-CB 3.42Å; N113-A116 PolarHBondContact OD1-N 3.4Å; N113-V117 VanDerWaalsContact O-CG2 3.25Å; N113-V117 WeakPolarHBondContact O-CG2 3.45Å; N113-V117 PolarHBondContact O-N 3.2Å; N113-V117 VanDerWaalsContact O-N 3.11Å
114	V	95.5	Very high	95.6	Very high	42 Å²	42	61.4 Å²	61.4	26%	0.255	32%	0.317	S	S	.	.	H	α-helix	trans	-60.1	-44.7	-177.4	-176	0	0	0	0	112.3	G112 V117 K118 N157 L158 F161	G112-V114 PolarHBondContact O-N 3.1Å; G112-V114 VanDerWaalsContact O-N 3.14Å; V114-V117 PolarHBondContact O-N 3.08Å; V114-K118 WeakPolarHBondContact O-CB 3.26Å; V114-K118 PolarHBondContact O-N 3.27Å; V114-N157 HydrophobicContact CG2-CB 3.97Å; V114-L158 HydrophobicContact CB-CD2 4.16Å; V114-L158 HydrophobicContact CG1-CD2 4.39Å; V114-L158 HydrophobicContact CG2-CD2 3.88Å; V114-L158 HydrophobicContact CG2-CG 3.9Å; V114-F161 HydrophobicContact CG1-CB 4.48Å
115	D	96.6	Very high	95.6	Very high	127 Å²	127	53.8 Å²	53.8	68%	0.679	29%	0.288	S	S	*	.	H	α-helix	trans	-67.8	-40.5	-176	-63.1	-47	0	0	0	112.1	N113 K118 K119	N113-D115 PolarHBondContact O-N 3.48Å; N113-D115 PolarHBondContact OD1-N 3.39Å; D115-K118 PolarHBondContact O-N 2.81Å; D115-K119 WeakPolarHBondContact O-CB 3.41Å; D115-K119 PolarHBondContact O-N 3.37Å
116	A	96.3	Very high	95.5	Very high	23 Å²	23	54 Å²	54	19%	0.19	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-43.8	175.8	0	0	0	0	0	111.6	M108 N113 K118 K119 M120	M108-A116 HydrophobicContact CG-CB 4.31Å; M108-A116 HydrophobicContact SD-CB 4.07Å; N113-A116 HydrophobicContact CB-CB 4.05Å; N113-A116 VanDerWaalsContact CG-CB 3.42Å; N113-A116 WeakPolarHBondContact OD1-CB 3.42Å; N113-A116 PolarHBondContact OD1-N 3.4Å; A116-K118 VanDerWaalsContact C-N 3.35Å; A116-K119 PolarHBondContact O-N 3.09Å; A116-M120 WeakPolarHBondContact O-CG 3.43Å; A116-M120 PolarHBondContact O-N 2.72Å
117	V	97.2	Very high	95.5	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-61.1	-45.9	176.3	169.5	0	0	0	0	110.3	F105 M108 L109 N113 V114 K119 M120 V121 L158 F161	F105-V117 HydrophobicContact CE2-CB 4.46Å; F105-V117 HydrophobicContact CE2-CG1 3.76Å; F105-V117 HydrophobicContact CZ-CG1 4.13Å; M108-V117 HydrophobicContact CB-CG2 3.81Å; L109-V117 HydrophobicContact CD2-CG1 3.96Å; L109-V117 HydrophobicContact CD2-CG2 3.81Å; L109-V117 HydrophobicContact CG-CG2 4.29Å; N113-V117 VanDerWaalsContact O-CG2 3.25Å; N113-V117 WeakPolarHBondContact O-CG2 3.45Å; N113-V117 PolarHBondContact O-N 3.2Å; N113-V117 VanDerWaalsContact O-N 3.11Å; V114-V117 PolarHBondContact O-N 3.08Å; V117-K119 PolarHBondContact O-N 2.99Å; V117-M120 PolarHBondContact O-N 3.43Å; V117-V121 WeakPolarHBondContact O-CG2 3.48Å; V117-V121 PolarHBondContact O-N 3.32Å; V117-L158 HydrophobicContact CB-CD2 3.91Å; V117-L158 HydrophobicContact CG1-CD2 3.97Å; V117-L158 HydrophobicContact CG2-CD2 3.93Å; V117-F161 HydrophobicContact CG1-CD1 4.25Å; V117-F161 HydrophobicContact CG1-CE1 3.89Å
118	K	96.6	Very high	95.6	Very high	100 Å²	100	47.6 Å²	47.6	44%	0.435	25%	0.254	S	S	.	.	H	α-helix	trans	-58.6	-47.7	176.4	-178	175.7	178.7	-174.9	0	111.7	V114 D115 A116 M120 V121 D122 F161	V114-K118 WeakPolarHBondContact O-CB 3.26Å; V114-K118 PolarHBondContact O-N 3.27Å; D115-K118 PolarHBondContact O-N 2.81Å; A116-K118 VanDerWaalsContact C-N 3.35Å; K118-M120 VanDerWaalsContact C-N 3.33Å; K118-M120 PolarHBondContact O-N 3.1Å; K118-V121 PolarHBondContact O-N 2.7Å; K118-D122 WeakPolarHBondContact O-CB 3.49Å; K118-D122 VanDerWaalsContact O-CG 3.31Å; K118-D122 PolarHBondContact O-N 2.71Å; K118-F161 HydrophobicContact CB-CE1 4.44Å; K118-F161 HydrophobicContact CB-CE2 3.95Å; K118-F161 HydrophobicContact CB-CZ 3.84Å; K118-F161 HydrophobicContact CD-CE2 4.13Å; K118-F161 HydrophobicContact CG-CE2 3.74Å; K118-F161 HydrophobicContact CG-CZ 3.96Å
119	K	96.8	Very high	95.5	Very high	133 Å²	133	44.6 Å²	44.6	58%	0.578	24%	0.239	S	C	*	.	H	α-helix	trans	-58	-44	176.4	-175	-179.3	177.1	-175.8	0	112.2	D115 A116 V117 D122 E123	D115-K119 WeakPolarHBondContact O-CB 3.41Å; D115-K119 PolarHBondContact O-N 3.37Å; A116-K119 PolarHBondContact O-N 3.09Å; V117-K119 PolarHBondContact O-N 2.99Å; K119-D122 PolarHBondContact O-N 3.42Å; K119-E123 WeakPolarHBondContact CE-OE1 3.19Å; K119-E123 WeakPolarHBondContact O-CG 3.17Å; K119-E123 PolarHBondContact O-N 2.89Å
120	M	97	Very high	95.3	Very high	30 Å²	30	46.3 Å²	46.3	15%	0.148	25%	0.25	C	C	.	.	H	α-helix	trans	-64.7	-40	178.8	-70.3	-177.9	75.3	0	0	112.6	T101 R104 F105 M108 A116 V117 K118 E123 N124 I127	T101-M120 HydrophobicContact CG2-CE 3.91Å; R104-M120 HydrophobicContact CB-CE 4.35Å; F105-M120 HydrophobicContact CB-CE 3.71Å; F105-M120 HydrophobicContact CB-SD 4.33Å; F105-M120 HydrophobicContact CD2-CB 4.18Å; F105-M120 HydrophobicContact CD2-CE 4.1Å; F105-M120 HydrophobicContact CD2-SD 3.98Å; F105-M120 HydrophobicContact CG-CE 4.41Å; M108-M120 HydrophobicContact CG-SD 4.07Å; A116-M120 WeakPolarHBondContact O-CG 3.43Å; A116-M120 PolarHBondContact O-N 2.72Å; V117-M120 PolarHBondContact O-N 3.43Å; K118-M120 VanDerWaalsContact C-N 3.33Å; K118-M120 PolarHBondContact O-N 3.1Å; M120-E123 PolarHBondContact O-N 3.11Å; M120-N124 PolarHBondContact O-N 3.36Å; M120-I127 HydrophobicContact CB-CD1 4.26Å; M120-I127 HydrophobicContact CE-CD1 3.79Å
121	V	96.3	Very high	95	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-67.6	-39.7	174.8	175.7	0	0	0	0	110.9	F105 V117 K118 E123 N124 I127 L128 F161 F171	F105-V121 HydrophobicContact CE2-CG2 4.1Å; F105-V121 HydrophobicContact CZ-CG2 4.36Å; V117-V121 WeakPolarHBondContact O-CG2 3.48Å; V117-V121 PolarHBondContact O-N 3.32Å; K118-V121 PolarHBondContact O-N 2.7Å; V121-E123 VanDerWaalsContact C-N 3.32Å; V121-E123 PolarHBondContact O-N 3.21Å; V121-N124 CarbonylContact O-C 3.55Å; V121-N124 PolarHBondContact O-N 3.14Å; V121-I127 HydrophobicContact CB-CG2 4.45Å; V121-I127 HydrophobicContact CG2-CG2 3.8Å; V121-L128 HydrophobicContact CG1-CD1 3.85Å; V121-L128 HydrophobicContact CG1-CG 4.43Å; V121-L128 HydrophobicContact CG2-CD1 3.98Å; V121-L128 HydrophobicContact CG2-CD2 4.19Å; V121-L128 HydrophobicContact CG2-CG 4.04Å; V121-F161 HydrophobicContact CB-CZ 4.46Å; V121-F161 HydrophobicContact CG2-CE1 4.38Å; V121-F171 HydrophobicContact CG1-CE2 4.34Å
122	D	94.4	Very high	94.7	Very high	81 Å²	81	48.1 Å²	48.1	43%	0.433	26%	0.263	S	S	.	.	H	α-helix	trans	-66.9	-31.8	176.9	-75	-24.7	0	0	0	112.2	K118 K119 R174	K118-D122 WeakPolarHBondContact O-CB 3.49Å; K118-D122 VanDerWaalsContact O-CG 3.31Å; K118-D122 PolarHBondContact O-N 2.71Å; K119-D122 PolarHBondContact O-N 3.42Å; D122-R174 PolarHBondContact O-NH1 3.03Å; D122-R174 PolarHBondContact O-NH2 3Å
123	E	95.3	Very high	94.4	Very high	121 Å²	121	48.6 Å²	48.6	57%	0.565	26%	0.26	S	S	*	.	H	α-helix	trans	-73.5	-42.7	173.2	-74.6	171.1	-176.3	0	0	111.8	K119 M120 V121	K119-E123 WeakPolarHBondContact CE-OE1 3.19Å; K119-E123 WeakPolarHBondContact O-CG 3.17Å; K119-E123 PolarHBondContact O-N 2.89Å; M120-E123 PolarHBondContact O-N 3.11Å; V121-E123 VanDerWaalsContact C-N 3.32Å; V121-E123 PolarHBondContact O-N 3.21Å
124	N	95.2	Very high	94.4	Very high	29 Å²	29	47.3 Å²	47.3	16%	0.155	26%	0.255	C	S	.	.			trans	-147.1	103.9	178.8	-174.1	-2.8	0	0	0	112.7	Y94 P95 M120 V121 M126 I127	Y94-N124 WeakPolarHBondContact CB-OD1 3.43Å; P95-N124 PolarHBondContact O-ND2 2.9Å; M120-N124 PolarHBondContact O-N 3.36Å; V121-N124 CarbonylContact O-C 3.55Å; V121-N124 PolarHBondContact O-N 3.14Å; N124-M126 VanDerWaalsContact C-N 3.26Å; N124-M126 PolarHBondContact O-N 3.48Å; N124-M126 VanDerWaalsContact OD1-CB 3.26Å; N124-M126 WeakPolarHBondContact OD1-CB 3.45Å; N124-M126 PolarHBondContact OD1-N 3.25Å; N124-I127 WeakPolarHBondContact O-CB 3.48Å; N124-I127 VanDerWaalsContact O-CG2 3.26Å; N124-I127 WeakPolarHBondContact O-CG2 3.33Å; N124-I127 PolarHBondContact O-N 3.5Å
125	P	94.7	Very high	94.4	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-66.8	-20.9	178.6	27.3	-35.1	0	0	0	114.1	Y94 I127 L128 F171 L175	Y94-P125 HydrophobicContact CD1-CG 4.19Å; Y94-P125 HydrophobicContact CD2-CG 3.52Å; Y94-P125 HydrophobicContact CE1-CG 4.31Å; Y94-P125 HydrophobicContact CE2-CG 3.69Å; Y94-P125 HydrophobicContact CG-CG 3.82Å; P125-I127 PolarHBondContact O-N 3.41Å; P125-L128 PolarHBondContact O-N 2.86Å; P125-L128 VanDerWaalsContact O-N 3.07Å; P125-F171 HydrophobicContact CB-CD2 4.16Å; P125-F171 HydrophobicContact CB-CE2 3.44Å; P125-F171 VanDerWaalsContact CB-CE2 3.44Å; P125-F171 HydrophobicContact CB-CZ 3.99Å; P125-L175 HydrophobicContact CB-CD1 4Å; P125-L175 HydrophobicContact CG-CD1 3.75Å
126	M	94.2	Very high	94.3	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.025	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-65	-6.2	174	-67	-70.3	-62.1	0	0	113.1	N124 L128 V129 T131 L175	N124-M126 VanDerWaalsContact C-N 3.26Å; N124-M126 PolarHBondContact O-N 3.48Å; N124-M126 VanDerWaalsContact OD1-CB 3.26Å; N124-M126 WeakPolarHBondContact OD1-CB 3.45Å; N124-M126 PolarHBondContact OD1-N 3.25Å; M126-L128 PolarHBondContact O-N 3.02Å; M126-V129 CarbonylContact C-O 3.54Å; M126-V129 WeakPolarHBondContact CA-O 3.14Å; M126-V129 WeakPolarHBondContact CE-O 3.49Å; M126-T131 HydrophobicContact CE-CG2 3.6Å; M126-L175 HydrophobicContact CG-CD1 3.98Å; M126-L175 HydrophobicContact SD-CD1 3.63Å; M126-L175 HydrophobicContact SD-CG 4.4Å
127	I	95.9	Very high	94.2	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-65.1	-25.8	170.6	-153.3	163.8	0	0	0	112.3	A97 T101 L102 F105 M120 V121 N124 P125 T136	A97-I127 HydrophobicContact CB-CG1 4.35Å; T101-I127 HydrophobicContact CG2-CD1 3.91Å; L102-I127 HydrophobicContact CD2-CG1 3.82Å; F105-I127 HydrophobicContact CB-CD1 3.68Å; F105-I127 HydrophobicContact CB-CG1 4.27Å; F105-I127 HydrophobicContact CD1-CD1 4.25Å; F105-I127 HydrophobicContact CD1-CG1 4.11Å; F105-I127 HydrophobicContact CD2-CD1 3.49Å; F105-I127 VanDerWaalsContact CD2-CD1 3.49Å; F105-I127 HydrophobicContact CD2-CG1 4.13Å; F105-I127 HydrophobicContact CE1-CG1 4.47Å; F105-I127 HydrophobicContact CE2-CD1 4.13Å; F105-I127 HydrophobicContact CE2-CG1 4.47Å; F105-I127 HydrophobicContact CE2-CG2 4.22Å; F105-I127 HydrophobicContact CG-CD1 3.55Å; F105-I127 HydrophobicContact CG-CG1 3.92Å; F105-I127 HydrophobicContact CZ-CG2 4.32Å; M120-I127 HydrophobicContact CB-CD1 4.26Å; M120-I127 HydrophobicContact CE-CD1 3.79Å; V121-I127 HydrophobicContact CB-CG2 4.45Å; V121-I127 HydrophobicContact CG2-CG2 3.8Å; N124-I127 WeakPolarHBondContact O-CB 3.48Å; N124-I127 VanDerWaalsContact O-CG2 3.26Å; N124-I127 WeakPolarHBondContact O-CG2 3.33Å; N124-I127 PolarHBondContact O-N 3.5Å; P125-I127 PolarHBondContact O-N 3.41Å; I127-T136 WeakPolarHBondContact O-CB 3.37Å; I127-T136 WeakPolarHBondContact O-CG2 3.11Å; I127-T136 PolarHBondContact O-OG1 3.15Å
128	L	96.2	Very high	94.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-29.1	179	-61.8	-177.6	0	0	0	113.1	F105 V121 P125 M126 T136 L162 I166 F171 Y195	F105-L128 HydrophobicContact CE1-CD2 4.14Å; F105-L128 HydrophobicContact CZ-CD2 3.74Å; V121-L128 HydrophobicContact CG1-CD1 3.85Å; V121-L128 HydrophobicContact CG1-CG 4.43Å; V121-L128 HydrophobicContact CG2-CD1 3.98Å; V121-L128 HydrophobicContact CG2-CD2 4.19Å; V121-L128 HydrophobicContact CG2-CG 4.04Å; P125-L128 PolarHBondContact O-N 2.86Å; P125-L128 VanDerWaalsContact O-N 3.07Å; M126-L128 PolarHBondContact O-N 3.02Å; L128-T136 VanDerWaalsContact C-OG1 3.24Å; L128-T136 PolarHBondContact O-N 3.29Å; L128-T136 PolarHBondContact O-OG1 3.49Å; L128-L162 HydrophobicContact CD2-CD1 3.88Å; L128-L162 HydrophobicContact CD2-CG 4.47Å; L128-I166 HydrophobicContact CD1-CG1 4.34Å; L128-F171 HydrophobicContact CB-CZ 4.35Å; L128-F171 HydrophobicContact CD1-CE2 4.11Å; L128-F171 HydrophobicContact CD1-CZ 4.28Å; L128-Y195 WeakPolarHBondContact O-CE2 3.27Å; L128-Y195 PolarHBondContact O-OH 3.36Å
129	V	94.6	Very high	93.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-131.3	136.7	-173.1	-170.4	0	0	0	0	110	M126 T136 F171 W172 L175 V191	M126-V129 CarbonylContact C-O 3.54Å; M126-V129 WeakPolarHBondContact CA-O 3.14Å; M126-V129 WeakPolarHBondContact CE-O 3.49Å; V129-T136 PolarHBondContact N-OG1 3.18Å; V129-F171 HydrophobicContact CG2-CE1 4.16Å; V129-F171 HydrophobicContact CG2-CZ 4.17Å; V129-W172 HydrophobicContact CG1-CH2 4.27Å; V129-W172 HydrophobicContact CG1-CZ3 4.46Å; V129-W172 HydrophobicContact CG2-CH2 3.94Å; V129-L175 HydrophobicContact CB-CD2 4.35Å; V129-V191 HydrophobicContact CG1-CG1 4.45Å; V129-V191 HydrophobicContact CG1-CG2 4.4Å; V129-V191 HydrophobicContact CG2-CG1 4.11Å
130	T	92.3	Very high	93.1	Very high	37 Å²	37	40.1 Å²	40.1	23%	0.227	22%	0.22	C	C	.	.			trans	-81.1	167.7	174.7	68.4	0	0	0	0	111.7	S132 D133 T134	T130-S132 PolarHBondContact O-N 2.89Å; T130-S132 VanDerWaalsContact O-N 3.09Å; T130-S132 PolarHBondContact OG1-N 3.08Å; T130-S132 PolarHBondContact OG1-OG 3.28Å; T130-D133 PolarHBondContact O-N 3.46Å; T130-D133 VanDerWaalsContact O-N 3.09Å; T130-T134 PolarHBondContact N-O 2.8Å; T130-T134 PolarHBondContact OG1-N 3.04Å; T130-T134 PolarHBondContact OG1-O 2.91Å; T130-T134 PolarHBondContact OG1-OG1 3.42Å
131	T	87.6	Confident	92.7	Very high	105 Å²	105	47.9 Å²	47.9	64%	0.644	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.4	175.4	52	0	0	0	0	114.1	S96 M126	S96-T131 WeakPolarHBondContact OG-CG2 3.41Å; M126-T131 HydrophobicContact CE-CG2 3.6Å
132	S	87.4	Confident	92.4	Very high	77 Å²	77	51.3 Å²	51.3	54%	0.538	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	17.5	177.5	64.1	0	0	0	0	112.6	T130 T134	T130-S132 PolarHBondContact O-N 2.89Å; T130-S132 VanDerWaalsContact O-N 3.09Å; T130-S132 PolarHBondContact OG1-N 3.08Å; T130-S132 PolarHBondContact OG1-OG 3.28Å; S132-T134 VanDerWaalsContact C-N 3.33Å; S132-T134 PolarHBondContact O-N 3.07Å; S132-T134 PolarHBondContact OG-OG1 2.65Å
133	D	88.9	Confident	92.4	Very high	32 Å²	32	54.6 Å²	54.6	17%	0.171	27%	0.269	C	S	.	.	S	Bend	trans	53	48.5	-176.3	-61	-35.3	0	0	0	112.3	T130 Y176 R187 Y190 V191	T130-D133 PolarHBondContact O-N 3.46Å; T130-D133 VanDerWaalsContact O-N 3.09Å; D133-Y176 PolarHBondContact OD1-OH 3.34Å; D133-R187 HydrophobicContact CB-CG 4.36Å; D133-R187 VanDerWaalsContact CG-NE 3.26Å; D133-R187 WeakPolarHBondContact OD1-CD 3.49Å; D133-R187 IonicContact OD1-NE 2.78Å; D133-R187 PolarHBondContact OD1-NE 2.83Å; D133-R187 IonicContact OD2-CZ 3.61Å; D133-R187 IonicContact OD2-NE 2.62Å; D133-R187 PolarHBondContact OD2-NE 2.6Å; D133-R187 IonicContact OD2-NH2 3.87Å; D133-R187 PolarHBondContact OD2-NH2 3.34Å; D133-Y190 WeakPolarHBondContact O-CE1 3.32Å; D133-V191 HydrophobicContact CB-CG2 4.17Å; D133-V191 VanDerWaalsContact O-CG2 3.3Å; D133-V191 WeakPolarHBondContact O-CG2 3.38Å
134	T	92.8	Very high	92.3	Very high	44 Å²	44	51.1 Å²	51.1	27%	0.27	25%	0.251	S	S	.	.			trans	-126	153.4	173.3	61.9	0	0	0	0	111.3	T130 S132 T136 L194	T130-T134 PolarHBondContact N-O 2.8Å; T130-T134 PolarHBondContact OG1-N 3.04Å; T130-T134 PolarHBondContact OG1-O 2.91Å; T130-T134 PolarHBondContact OG1-OG1 3.42Å; S132-T134 VanDerWaalsContact C-N 3.33Å; S132-T134 PolarHBondContact O-N 3.07Å; S132-T134 PolarHBondContact OG-OG1 2.65Å; T134-T136 PolarHBondContact O-N 2.81Å; T134-L194 HydrophobicContact CG2-CD1 4.04Å
135	P	95.7	Very high	92.4	Very high	9 Å²	9	49.9 Å²	49.9	6%	0.058	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-55.2	134.2	173.7	-26.7	34.9	0	0	0	112.1	I137 N145 L194 Y195	P135-I137 PolarHBondContact O-N 3.48Å; P135-N145 HydrophobicContact CB-CB 3.98Å; P135-L194 HydrophobicContact CG-CB 3.56Å; P135-Y195 HydrophobicContact CB-CD1 4.11Å; P135-Y195 HydrophobicContact CB-CD2 3.73Å; P135-Y195 HydrophobicContact CB-CE1 3.95Å; P135-Y195 HydrophobicContact CB-CE2 3.53Å; P135-Y195 HydrophobicContact CB-CG 4.02Å; P135-Y195 HydrophobicContact CG-CD1 4.42Å; P135-Y195 HydrophobicContact CG-CD2 3.55Å; P135-Y195 HydrophobicContact CG-CE2 3.84Å; P135-Y195 HydrophobicContact CG-CG 3.88Å
136	T	95.3	Very high	92.4	Very high	10 Å²	10	49.9 Å²	49.9	6%	0.061	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-64.6	129.7	173.6	-60.7	0	0	0	0	110.9	L102 I127 L128 V129 T134 L138	L102-T136 HydrophobicContact CD1-CG2 3.88Å; L102-T136 HydrophobicContact CD2-CG2 3.54Å; L102-T136 HydrophobicContact CG-CG2 4.37Å; I127-T136 WeakPolarHBondContact O-CB 3.37Å; I127-T136 WeakPolarHBondContact O-CG2 3.11Å; I127-T136 PolarHBondContact O-OG1 3.15Å; L128-T136 VanDerWaalsContact C-OG1 3.24Å; L128-T136 PolarHBondContact O-N 3.29Å; L128-T136 PolarHBondContact O-OG1 3.49Å; V129-T136 PolarHBondContact N-OG1 3.18Å; T134-T136 PolarHBondContact O-N 2.81Å; T136-L138 HydrophobicContact CG2-CD2 4.33Å
137	I	94.7	Very high	92.6	Very high	54 Å²	54	49.7 Å²	49.7	28%	0.277	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-91.2	118.9	-179.1	-57.1	-64.1	0	0	0	109.8	P135 R143	P135-I137 PolarHBondContact O-N 3.48Å; I137-R143 HydrophobicContact CD1-CB 4.34Å; I137-R143 HydrophobicContact CG2-CB 4.37Å
138	L	93.4	Very high	92.6	Very high	17 Å²	17	49.6 Å²	49.6	9%	0.089	24%	0.243	C	C	.	.	S	Bend	trans	-94.1	-21.6	-175.8	-58.3	-177.5	0	0	0	113.7	L102 F105 R106 L109 T136 Y144 A146 V149	L102-L138 HydrophobicContact CB-CD2 4.49Å; L102-L138 HydrophobicContact CD2-CD2 4.13Å; F105-L138 HydrophobicContact CD1-CD1 4.04Å; F105-L138 HydrophobicContact CD1-CD2 3.8Å; F105-L138 HydrophobicContact CE1-CD1 4.19Å; F105-L138 HydrophobicContact CE1-CD2 4.37Å; R106-L138 HydrophobicContact CB-CB 4.38Å; R106-L138 HydrophobicContact CB-CD1 4.44Å; L109-L138 HydrophobicContact CD1-CD1 3.38Å; T136-L138 HydrophobicContact CG2-CD2 4.33Å; L138-Y144 PolarHBondContact N-O 3.13Å; L138-A146 HydrophobicContact CD1-CB 4.05Å; L138-V149 HydrophobicContact CD1-CG2 4.31Å
139	Q	87.9	Confident	92.6	Very high	53 Å²	53	49.8 Å²	49.8	25%	0.248	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-131	99.4	173.1	176.8	67.2	76.1	0	0	108.2	R106 R141 F142 R143 Y144	R106-Q139 VanDerWaalsContact NH1-CD 3.35Å; Q139-R141 VanDerWaalsContact C-N 3.35Å; Q139-R141 PolarHBondContact O-N 2.93Å; Q139-F142 HydrophobicContact CG-CB 4.36Å; Q139-F142 HydrophobicContact CG-CD2 3.9Å; Q139-F142 PolarHBondContact O-N 2.77Å; Q139-R143 VanDerWaalsContact O-CA 3.28Å; Q139-R143 WeakPolarHBondContact O-CA 3.35Å; Q139-R143 PolarHBondContact O-N 2.72Å; Q139-Y144 HydrophobicContact CB-CD2 3.97Å; Q139-Y144 HydrophobicContact CB-CG 4.16Å; Q139-Y144 HydrophobicContact CG-CD2 4.22Å; Q139-Y144 PolarHBondContact O-N 2.84Å
140	I	84.9	Confident	92.7	Very high	133 Å²	133	49.8 Å²	49.8	68%	0.682	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-56.2	-48	-174	-60.9	171.7	0	0	0	111.2	F142 R143	I140-F142 VanDerWaalsContact C-N 3.32Å; I140-F142 PolarHBondContact O-N 2.71Å; I140-R143 PolarHBondContact O-N 2.87Å; I140-R143 VanDerWaalsContact O-N 3.12Å
141	R	88.6	Confident	92.9	Very high	192 Å²	192	48 Å²	48	73%	0.725	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-50.6	-44.9	-177.7	-168.7	-179.8	-143.4	166.3	8.4	114.5	Q139	Q139-R141 VanDerWaalsContact C-N 3.35Å; Q139-R141 PolarHBondContact O-N 2.93Å
142	F	91	Very high	93.3	Very high	76 Å²	76	44.3 Å²	44.3	33%	0.333	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-106.2	-0.2	-177.8	-60.6	-70.3	0	0	0	112.6	Q139 I140 Y144 E200 L201	Q139-F142 HydrophobicContact CG-CB 4.36Å; Q139-F142 HydrophobicContact CG-CD2 3.9Å; Q139-F142 PolarHBondContact O-N 2.77Å; I140-F142 VanDerWaalsContact C-N 3.32Å; I140-F142 PolarHBondContact O-N 2.71Å; F142-Y144 VanDerWaalsContact C-N 3.29Å; F142-Y144 HydrophobicContact CB-CD1 3.62Å; F142-Y144 HydrophobicContact CB-CD2 4.49Å; F142-Y144 HydrophobicContact CB-CE1 3.29Å; F142-Y144 HydrophobicContact CB-CE2 4.23Å; F142-Y144 HydrophobicContact CB-CG 4.22Å; F142-Y144 HydrophobicContact CD2-CE2 4.41Å; F142-Y144 HydrophobicContact CG-CE1 4.13Å; F142-Y144 PolarHBondContact O-N 3.35Å; F142-E200 WeakPolarHBondContact O-CA 3.44Å; F142-E200 VanDerWaalsContact O-CB 3.29Å; F142-E200 WeakPolarHBondContact O-CB 3.38Å; F142-L201 PolarHBondContact O-N 3.33Å
143	R	92.8	Very high	93.6	Very high	150 Å²	150	46 Å²	46	57%	0.566	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	39	-174.3	-58.7	-175.2	67.2	132.5	0.8	114.4	I137 Q139 I140 N145 L201	I137-R143 HydrophobicContact CD1-CB 4.34Å; I137-R143 HydrophobicContact CG2-CB 4.37Å; Q139-R143 VanDerWaalsContact O-CA 3.28Å; Q139-R143 WeakPolarHBondContact O-CA 3.35Å; Q139-R143 PolarHBondContact O-N 2.72Å; I140-R143 PolarHBondContact O-N 2.87Å; I140-R143 VanDerWaalsContact O-N 3.12Å; R143-N145 PolarHBondContact O-N 2.96Å; R143-L201 HydrophobicContact CG-CB 4.3Å; R143-L201 HydrophobicContact CG-CD2 4.46Å
144	Y	95	Very high	93.9	Very high	48 Å²	48	45.4 Å²	45.4	19%	0.188	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-69.3	121.9	176.2	-62.5	-15.5	0	0	0	110.9	L138 Q139 F142 H148 E200 F210	L138-Y144 PolarHBondContact N-O 3.13Å; Q139-Y144 HydrophobicContact CB-CD2 3.97Å; Q139-Y144 HydrophobicContact CB-CG 4.16Å; Q139-Y144 HydrophobicContact CG-CD2 4.22Å; Q139-Y144 PolarHBondContact O-N 2.84Å; F142-Y144 VanDerWaalsContact C-N 3.29Å; F142-Y144 HydrophobicContact CB-CD1 3.62Å; F142-Y144 HydrophobicContact CB-CD2 4.49Å; F142-Y144 HydrophobicContact CB-CE1 3.29Å; F142-Y144 HydrophobicContact CB-CE2 4.23Å; F142-Y144 HydrophobicContact CB-CG 4.22Å; F142-Y144 HydrophobicContact CD2-CE2 4.41Å; F142-Y144 HydrophobicContact CG-CE1 4.13Å; F142-Y144 PolarHBondContact O-N 3.35Å; Y144-H148 HydrophobicContact CD1-CB 4.16Å; Y144-H148 HydrophobicContact CG-CB 4.09Å; Y144-E200 HydrophobicContact CD1-CB 3.67Å; Y144-E200 HydrophobicContact CD1-CG 4.43Å; Y144-E200 HydrophobicContact CE1-CB 3.52Å; Y144-E200 HydrophobicContact CE1-CG 3.82Å; Y144-F210 HydrophobicContact CE1-CE1 4.2Å; Y144-F210 AromaticContact CE1-CZ 3.67Å; Y144-F210 HydrophobicContact CE1-CZ 3.67Å; Y144-F210 HydrophobicContact CE2-CE1 4.48Å; Y144-F210 AromaticContact CZ-CE1 3.95Å; Y144-F210 AromaticContact CZ-CZ 3.79Å
145	N	95.6	Very high	94	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.016	21%	0.206	C	C	.	.			trans	-77.9	175.8	160.9	70.2	28.3	0	0	0	110.3	P135 R143 L147 H148 V149 Y195	P135-N145 HydrophobicContact CB-CB 3.98Å; R143-N145 PolarHBondContact O-N 2.96Å; N145-L147 VanDerWaalsContact C-N 3.3Å; N145-L147 PolarHBondContact O-N 3.46Å; N145-L147 WeakPolarHBondContact OD1-CA 3.2Å; N145-L147 WeakPolarHBondContact OD1-CB 3.49Å; N145-L147 PolarHBondContact OD1-N 2.94Å; N145-H148 PolarHBondContact N-ND1 3.26Å; N145-H148 PolarHBondContact ND2-ND1 2.84Å; N145-H148 PolarHBondContact O-N 3.48Å; N145-H148 PolarHBondContact OD1-N 2.8Å; N145-H148 PolarHBondContact OD1-ND1 3.34Å; N145-V149 PolarHBondContact O-N 2.62Å; N145-Y195 HydrophobicContact CB-CD1 4.11Å; N145-Y195 HydrophobicContact CB-CE1 3.99Å; N145-Y195 PolarHBondContact ND2-O 2.92Å
146	A	96.5	Very high	93.9	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-59.7	-36.5	179.7	0	0	0	0	0	113.6	L109 L138 H148 V149 I150 L162 Y195	L109-A146 HydrophobicContact CD1-CB 4Å; L138-A146 HydrophobicContact CD1-CB 4.05Å; A146-H148 PolarHBondContact O-N 2.92Å; A146-V149 PolarHBondContact O-N 3.16Å; A146-I150 VanDerWaalsContact O-CG1 3.27Å; A146-I150 WeakPolarHBondContact O-CG1 3.28Å; A146-I150 PolarHBondContact O-N 2.93Å; A146-L162 HydrophobicContact CB-CD1 3.5Å; A146-L162 VanDerWaalsContact CB-CD1 3.5Å; A146-Y195 HydrophobicContact CB-CE1 4.05Å
147	L	96.9	Very high	93.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.8	-36.1	179.6	-68.6	-175.8	0	0	0	112.7	N145 V149 I150 A151 L159 L162 L163 Y195 L196 P207	N145-L147 VanDerWaalsContact C-N 3.3Å; N145-L147 PolarHBondContact O-N 3.46Å; N145-L147 WeakPolarHBondContact OD1-CA 3.2Å; N145-L147 WeakPolarHBondContact OD1-CB 3.49Å; N145-L147 PolarHBondContact OD1-N 2.94Å; L147-V149 VanDerWaalsContact C-N 3.33Å; L147-V149 PolarHBondContact O-N 2.84Å; L147-I150 PolarHBondContact O-N 3.21Å; L147-A151 WeakPolarHBondContact O-CB 3.46Å; L147-A151 PolarHBondContact O-N 2.89Å; L147-L159 HydrophobicContact CD2-CD1 3.33Å; L147-L162 HydrophobicContact CD2-CD2 3.58Å; L147-L162 HydrophobicContact CG-CD2 3.94Å; L147-L163 HydrophobicContact CD1-CD2 4.05Å; L147-L163 HydrophobicContact CD2-CD2 4.25Å; L147-L163 HydrophobicContact CD2-CG 4.39Å; L147-Y195 HydrophobicContact CB-CD1 4.39Å; L147-Y195 HydrophobicContact CD1-CD1 3.97Å; L147-Y195 HydrophobicContact CD1-CG 4.29Å; L147-Y195 HydrophobicContact CG-CD1 3.76Å; L147-L196 HydrophobicContact CD1-CD2 3.88Å; L147-L196 HydrophobicContact CD1-CG 4.37Å; L147-P207 HydrophobicContact CB-CB 3.94Å; L147-P207 HydrophobicContact CB-CG 3.8Å
148	H	96.9	Very high	94	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-45.2	173	-68.7	90	0	0	0	111.3	Y144 N145 A146 S152 S198 E205 P207 F210	Y144-H148 HydrophobicContact CD1-CB 4.16Å; Y144-H148 HydrophobicContact CG-CB 4.09Å; N145-H148 PolarHBondContact N-ND1 3.26Å; N145-H148 PolarHBondContact ND2-ND1 2.84Å; N145-H148 PolarHBondContact O-N 3.48Å; N145-H148 PolarHBondContact OD1-N 2.8Å; N145-H148 PolarHBondContact OD1-ND1 3.34Å; A146-H148 PolarHBondContact O-N 2.92Å; H148-S152 WeakPolarHBondContact O-CB 3.45Å; H148-S152 PolarHBondContact O-N 3.47Å; H148-S198 PolarHBondContact CE1-O 3.24Å; H148-S198 PolarHBondContact NE2-O 3.21Å; H148-E205 PolarHBondContact NE2-O 2.85Å; H148-P207 WeakPolarHBondContact NE2-CD 3.22Å; H148-F210 AromaticContact CD2-CE2 3.87Å
149	V	96.1	Very high	94.1	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-62.4	-51.5	179.5	-179.9	0	0	0	0	109.9	L109 D110 L138 N145 A146 L147 A151 S152 K153	L109-V149 HydrophobicContact CB-CG1 4.07Å; D110-V149 WeakPolarHBondContact OD1-CG1 3.06Å; L138-V149 HydrophobicContact CD1-CG2 4.31Å; N145-V149 PolarHBondContact O-N 2.62Å; A146-V149 PolarHBondContact O-N 3.16Å; L147-V149 VanDerWaalsContact C-N 3.33Å; L147-V149 PolarHBondContact O-N 2.84Å; V149-A151 PolarHBondContact O-N 3.36Å; V149-S152 WeakPolarHBondContact O-CB 3.47Å; V149-S152 PolarHBondContact O-N 3.12Å; V149-S152 PolarHBondContact O-OG 2.78Å; V149-K153 WeakPolarHBondContact O-CG 3.34Å; V149-K153 PolarHBondContact O-N 3.44Å
150	I	97.1	Very high	94.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-46.9	-179.5	-64.8	165	0	0	0	111.3	L109 A146 L147 S152 K153 G154 N155 L158 L159 L162	L109-I150 HydrophobicContact CD2-CD1 3.98Å; L109-I150 HydrophobicContact CD2-CG1 3.97Å; A146-I150 VanDerWaalsContact O-CG1 3.27Å; A146-I150 WeakPolarHBondContact O-CG1 3.28Å; A146-I150 PolarHBondContact O-N 2.93Å; L147-I150 PolarHBondContact O-N 3.21Å; I150-S152 VanDerWaalsContact C-N 3.27Å; I150-S152 PolarHBondContact O-N 3.01Å; I150-K153 CarbonylContact O-C 3.2Å; I150-K153 PolarHBondContact O-N 3.41Å; I150-K153 VanDerWaalsContact O-N 3.08Å; I150-G154 PolarHBondContact O-N 3.1Å; I150-N155 HydrophobicContact CG2-CB 4.36Å; I150-N155 WeakPolarHBondContact CG2-O 3.4Å; I150-N155 PolarHBondContact O-N 3.42Å; I150-L158 HydrophobicContact CD1-CB 4.18Å; I150-L158 HydrophobicContact CG1-CB 4.23Å; I150-L158 HydrophobicContact CG2-CB 4.07Å; I150-L159 HydrophobicContact CB-CD1 4.38Å; I150-L159 HydrophobicContact CG2-CB 3.61Å; I150-L159 HydrophobicContact CG2-CD1 3.88Å; I150-L159 HydrophobicContact CG2-CG 4.33Å; I150-L162 HydrophobicContact CD1-CB 4.22Å; I150-L162 HydrophobicContact CD1-CD1 3.83Å
151	A	96.6	Very high	94.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64	-31.7	179.1	0	0	0	0	0	112.2	L147 V149 K153 P207 F210 A211 H216	L147-A151 WeakPolarHBondContact O-CB 3.46Å; L147-A151 PolarHBondContact O-N 2.89Å; V149-A151 PolarHBondContact O-N 3.36Å; A151-K153 VanDerWaalsContact C-N 3.32Å; A151-P207 HydrophobicContact CB-CB 4.34Å; A151-P207 WeakPolarHBondContact CB-O 3.43Å; A151-F210 HydrophobicContact CB-CB 4Å; A151-A211 HydrophobicContact CB-CB 4.2Å; A151-H216 PolarHBondContact O-CD2 3.17Å
152	S	94.3	Very high	95.1	Very high	28 Å²	28	34 Å²	34	20%	0.196	16%	0.163	C	C	.	.	H	α-helix	trans	-65.9	-35.3	173.2	82.1	0	0	0	0	112.6	H148 V149 I150 H216	H148-S152 WeakPolarHBondContact O-CB 3.45Å; H148-S152 PolarHBondContact O-N 3.47Å; V149-S152 WeakPolarHBondContact O-CB 3.47Å; V149-S152 PolarHBondContact O-N 3.12Å; V149-S152 PolarHBondContact O-OG 2.78Å; I150-S152 VanDerWaalsContact C-N 3.27Å; I150-S152 PolarHBondContact O-N 3.01Å; S152-H216 PolarHBondContact O-NE2 2.69Å; S152-H216 VanDerWaalsContact O-NE2 3.14Å
153	K	94.6	Very high	95.3	Very high	113 Å²	113	30.5 Å²	30.5	49%	0.491	15%	0.148	S	C	.	.	H	α-helix	trans	-88.1	-17.3	-177.8	-63.7	-59	-176	179.2	0	113.8	D110 V149 I150 A151 N155	D110-K153 WeakPolarHBondContact OD1-CE 3.34Å; D110-K153 IonicContact OD1-NZ 3.13Å; V149-K153 WeakPolarHBondContact O-CG 3.34Å; V149-K153 PolarHBondContact O-N 3.44Å; I150-K153 CarbonylContact O-C 3.2Å; I150-K153 PolarHBondContact O-N 3.41Å; I150-K153 VanDerWaalsContact O-N 3.08Å; A151-K153 VanDerWaalsContact C-N 3.32Å; K153-N155 VanDerWaalsContact C-N 3.33Å
154	G	94.2	Very high	95.2	Very high	19 Å²	19	26.6 Å²	26.6	20%	0.196	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	22.1	-178	0	0	0	0	0	114	I150 V156 H216 C219	I150-G154 PolarHBondContact O-N 3.1Å; G154-V156 PolarHBondContact O-N 3.48Å; G154-V156 VanDerWaalsContact O-N 3.08Å; G154-H216 VanDerWaalsContact CA-CD2 3.45Å; G154-H216 WeakPolarHBondContact CA-CD2 3.31Å; G154-H216 WeakPolarHBondContact CA-ND1 3.33Å; G154-H216 PolarHBondContact N-CD2 3.26Å; G154-H216 PolarHBondContact N-NE2 3.08Å; G154-C219 VanDerWaalsContact C-SG 3.6Å
155	N	95.4	Very high	95.1	Very high	31 Å²	31	25.2 Å²	25.2	17%	0.166	14%	0.136	C	C	.	.			trans	-81.9	92.3	-179.3	-169.9	-31.1	0	0	0	110.9	G112 I150 K153 N157 L158 L159	G112-N155 WeakPolarHBondContact CA-ND2 3.47Å; G112-N155 PolarHBondContact O-ND2 2.95Å; I150-N155 HydrophobicContact CG2-CB 4.36Å; I150-N155 WeakPolarHBondContact CG2-O 3.4Å; I150-N155 PolarHBondContact O-N 3.42Å; K153-N155 VanDerWaalsContact C-N 3.33Å; N155-N157 VanDerWaalsContact C-N 3.34Å; N155-N157 PolarHBondContact O-N 3.24Å; N155-N157 PolarHBondContact OD1-N 3.45Å; N155-L158 HydrophobicContact CB-CB 4.08Å; N155-L158 HydrophobicContact CB-CD1 4.15Å; N155-L158 HydrophobicContact CB-CG 4.38Å; N155-L158 WeakPolarHBondContact ND2-CD1 3.31Å; N155-L158 PolarHBondContact O-N 3.31Å; N155-L158 PolarHBondContact OD1-N 3.27Å; N155-L159 WeakPolarHBondContact O-CB 3.43Å; N155-L159 PolarHBondContact O-N 3.31Å
156	V	94.4	Very high	95	Very high	42 Å²	42	25.1 Å²	25.1	26%	0.255	14%	0.135	S	C	.	.	H	α-helix	trans	-60.8	-41	-178.6	-171.6	0	0	0	0	112	G154 L159 Q160 E218 M222	G154-V156 PolarHBondContact O-N 3.48Å; G154-V156 VanDerWaalsContact O-N 3.08Å; V156-L159 WeakPolarHBondContact O-CB 3.37Å; V156-L159 PolarHBondContact O-N 3.09Å; V156-Q160 WeakPolarHBondContact O-CB 3.24Å; V156-Q160 PolarHBondContact O-N 2.77Å; V156-E218 HydrophobicContact CB-CB 4.44Å; V156-E218 HydrophobicContact CG1-CB 4.13Å; V156-E218 HydrophobicContact CG2-CB 3.42Å; V156-E218 VanDerWaalsContact CG2-CB 3.42Å; V156-E218 HydrophobicContact CG2-CG 4.32Å; V156-M222 HydrophobicContact CG1-CE 3.92Å; V156-M222 WeakPolarHBondContact O-CE 3.32Å
157	N	95	Very high	94.6	Very high	104 Å²	104	26 Å²	26	56%	0.556	14%	0.14	S	C	*	.	H	α-helix	trans	-66.3	-41.9	-177.7	-64.7	-26.6	0	0	0	111.7	V114 N155 L159 F161	V114-N157 HydrophobicContact CG2-CB 3.97Å; N155-N157 VanDerWaalsContact C-N 3.34Å; N155-N157 PolarHBondContact O-N 3.24Å; N155-N157 PolarHBondContact OD1-N 3.45Å; N157-L159 VanDerWaalsContact C-N 3.34Å; N157-F161 WeakPolarHBondContact O-CB 3.09Å; N157-F161 PolarHBondContact O-N 2.9Å
158	L	95.8	Very high	94.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-40.8	172.4	-82.9	-178.3	0	0	0	111.9	L109 V114 V117 I150 N155 F161 L162	L109-L158 HydrophobicContact CD2-CD1 4.07Å; L109-L158 HydrophobicContact CD2-CD2 4.39Å; V114-L158 HydrophobicContact CB-CD2 4.16Å; V114-L158 HydrophobicContact CG1-CD2 4.39Å; V114-L158 HydrophobicContact CG2-CD2 3.88Å; V114-L158 HydrophobicContact CG2-CG 3.9Å; V117-L158 HydrophobicContact CB-CD2 3.91Å; V117-L158 HydrophobicContact CG1-CD2 3.97Å; V117-L158 HydrophobicContact CG2-CD2 3.93Å; I150-L158 HydrophobicContact CD1-CB 4.18Å; I150-L158 HydrophobicContact CG1-CB 4.23Å; I150-L158 HydrophobicContact CG2-CB 4.07Å; N155-L158 HydrophobicContact CB-CB 4.08Å; N155-L158 HydrophobicContact CB-CD1 4.15Å; N155-L158 HydrophobicContact CB-CG 4.38Å; N155-L158 WeakPolarHBondContact ND2-CD1 3.31Å; N155-L158 PolarHBondContact O-N 3.31Å; N155-L158 PolarHBondContact OD1-N 3.27Å; L158-F161 PolarHBondContact O-N 3.4Å; L158-L162 WeakPolarHBondContact O-CB 3.26Å; L158-L162 PolarHBondContact O-N 3.18Å
159	L	95.9	Very high	94	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.6	-46.2	179.7	-169.8	67.2	0	0	0	110.7	L147 I150 N155 V156 N157 L162 L163 C219 M222 L223	L147-L159 HydrophobicContact CD2-CD1 3.33Å; I150-L159 HydrophobicContact CB-CD1 4.38Å; I150-L159 HydrophobicContact CG2-CB 3.61Å; I150-L159 HydrophobicContact CG2-CD1 3.88Å; I150-L159 HydrophobicContact CG2-CG 4.33Å; N155-L159 WeakPolarHBondContact O-CB 3.43Å; N155-L159 PolarHBondContact O-N 3.31Å; V156-L159 WeakPolarHBondContact O-CB 3.37Å; V156-L159 PolarHBondContact O-N 3.09Å; N157-L159 VanDerWaalsContact C-N 3.34Å; L159-L162 PolarHBondContact O-N 3.09Å; L159-L163 HydrophobicContact CG-CD1 4.3Å; L159-L163 WeakPolarHBondContact O-CB 3.46Å; L159-L163 WeakPolarHBondContact O-CG 3.3Å; L159-L163 PolarHBondContact O-N 2.85Å; L159-C219 HydrophobicContact CD2-CB 3.77Å; L159-M222 HydrophobicContact CB-CE 3.44Å; L159-M222 VanDerWaalsContact CB-CE 3.44Å; L159-M222 HydrophobicContact CD2-CE 3.39Å; L159-M222 HydrophobicContact CG-CE 3.41Å; L159-M222 VanDerWaalsContact CG-CE 3.41Å; L159-L223 HydrophobicContact CD1-CD2 4.35Å; L159-L223 HydrophobicContact CD2-CD1 4.44Å; L159-L223 HydrophobicContact CD2-CG 4.12Å
160	Q	94	Very high	93.7	Very high	54 Å²	54	39.5 Å²	39.5	25%	0.252	21%	0.207	S	C	.	.	H	α-helix	trans	-63.6	-46.2	177	-171	-172.2	3.2	0	0	111	V156 L162 N164 M222 N322	V156-Q160 WeakPolarHBondContact O-CB 3.24Å; V156-Q160 PolarHBondContact O-N 2.77Å; Q160-L162 PolarHBondContact O-N 3.5Å; Q160-N164 VanDerWaalsContact O-CB 3.25Å; Q160-N164 WeakPolarHBondContact O-CB 3.05Å; Q160-N164 PolarHBondContact O-N 3.13Å; Q160-N164 PolarHBondContact O-ND2 2.84Å; Q160-M222 HydrophobicContact CB-CE 3.95Å; Q160-M222 HydrophobicContact CB-SD 3.72Å; Q160-M222 HydrophobicContact CG-SD 4.05Å; Q160-N322 VanDerWaalsContact NE2-CG 3.32Å; Q160-N322 PolarHBondContact NE2-ND2 3.29Å; Q160-N322 PolarHBondContact NE2-OD1 2.86Å
161	F	94.5	Very high	93.6	Very high	41 Å²	41	40.2 Å²	40.2	18%	0.18	21%	0.21	C	C	.	.	H	α-helix	trans	-56.9	-49.7	176.1	164.6	-102.9	0	0	0	111.6	V114 V117 K118 V121 N157 L158 N164 C165	V114-F161 HydrophobicContact CG1-CB 4.48Å; V117-F161 HydrophobicContact CG1-CD1 4.25Å; V117-F161 HydrophobicContact CG1-CE1 3.89Å; K118-F161 HydrophobicContact CB-CE1 4.44Å; K118-F161 HydrophobicContact CB-CE2 3.95Å; K118-F161 HydrophobicContact CB-CZ 3.84Å; K118-F161 HydrophobicContact CD-CE2 4.13Å; K118-F161 HydrophobicContact CG-CE2 3.74Å; K118-F161 HydrophobicContact CG-CZ 3.96Å; V121-F161 HydrophobicContact CB-CZ 4.46Å; V121-F161 HydrophobicContact CG2-CE1 4.38Å; N157-F161 WeakPolarHBondContact O-CB 3.09Å; N157-F161 PolarHBondContact O-N 2.9Å; L158-F161 PolarHBondContact O-N 3.4Å; F161-N164 PolarHBondContact O-N 2.86Å; F161-C165 HydrophobicContact CE2-CB 4.47Å; F161-C165 HydrophobicContact CZ-CB 4.4Å; F161-C165 WeakPolarHBondContact O-CB 2.91Å; F161-C165 PolarHBondContact O-N 3.4Å
162	L	94.9	Very high	93.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-68.3	-42.1	-175	-168	142.9	0	0	0	111.7	L128 A146 L147 I150 L158 L159 Q160 C165 I166 Y195	L128-L162 HydrophobicContact CD2-CD1 3.88Å; L128-L162 HydrophobicContact CD2-CG 4.47Å; A146-L162 HydrophobicContact CB-CD1 3.5Å; A146-L162 VanDerWaalsContact CB-CD1 3.5Å; L147-L162 HydrophobicContact CD2-CD2 3.58Å; L147-L162 HydrophobicContact CG-CD2 3.94Å; I150-L162 HydrophobicContact CD1-CB 4.22Å; I150-L162 HydrophobicContact CD1-CD1 3.83Å; L158-L162 WeakPolarHBondContact O-CB 3.26Å; L158-L162 PolarHBondContact O-N 3.18Å; L159-L162 PolarHBondContact O-N 3.09Å; Q160-L162 PolarHBondContact O-N 3.5Å; L162-C165 PolarHBondContact O-N 3.38Å; L162-I166 HydrophobicContact CD2-CD1 3.46Å; L162-I166 VanDerWaalsContact CD2-CD1 3.46Å; L162-I166 HydrophobicContact CD2-CG1 4.39Å; L162-I166 HydrophobicContact CG-CD1 4.22Å; L162-I166 WeakPolarHBondContact O-CG1 3.29Å; L162-I166 PolarHBondContact O-N 3.13Å; L162-Y195 HydrophobicContact CD2-CD1 4.42Å; L162-Y195 HydrophobicContact CD2-CE1 4.25Å
163	L	93.8	Very high	93.3	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-61.8	-48.4	173.7	-70.7	174.5	0	0	0	111.1	L147 L159 C165 I166 D167 L192 L196 M222 L223	L147-L163 HydrophobicContact CD1-CD2 4.05Å; L147-L163 HydrophobicContact CD2-CD2 4.25Å; L147-L163 HydrophobicContact CD2-CG 4.39Å; L159-L163 HydrophobicContact CG-CD1 4.3Å; L159-L163 WeakPolarHBondContact O-CB 3.46Å; L159-L163 WeakPolarHBondContact O-CG 3.3Å; L159-L163 PolarHBondContact O-N 2.85Å; L163-C165 VanDerWaalsContact C-N 3.26Å; L163-C165 PolarHBondContact O-N 2.9Å; L163-I166 PolarHBondContact O-N 3.35Å; L163-D167 WeakPolarHBondContact O-CA 3.45Å; L163-D167 WeakPolarHBondContact O-CB 3.32Å; L163-D167 PolarHBondContact O-N 3.22Å; L163-L192 HydrophobicContact CD2-CD1 4.11Å; L163-L196 HydrophobicContact CD2-CD2 3.88Å; L163-M222 HydrophobicContact CD1-CG 4.19Å; L163-L223 HydrophobicContact CD1-CD2 4.49Å
164	N	91.5	Very high	93.2	Very high	68 Å²	68	42.8 Å²	42.8	36%	0.364	22%	0.217	S	C	.	.	H	α-helix	trans	-63.1	-32.5	177.5	-71.8	-8.8	0	0	0	112.9	Q160 F161 S168 H325	Q160-N164 VanDerWaalsContact O-CB 3.25Å; Q160-N164 WeakPolarHBondContact O-CB 3.05Å; Q160-N164 PolarHBondContact O-N 3.13Å; Q160-N164 PolarHBondContact O-ND2 2.84Å; F161-N164 PolarHBondContact O-N 2.86Å; N164-S168 WeakPolarHBondContact O-CB 3.39Å; N164-S168 PolarHBondContact O-N 2.91Å; N164-S168 VanDerWaalsContact O-N 3.13Å; N164-H325 PolarHBondContact OD1-CE1 3.01Å
165	C	93.4	Very high	93.1	Very high	20 Å²	20	41.9 Å²	41.9	14%	0.135	21%	0.208	C	C	.	.	H	α-helix	trans	-67.9	-51.2	177.7	-174	0	0	0	0	111	F161 L162 L163 D167 S168 F171	F161-C165 HydrophobicContact CE2-CB 4.47Å; F161-C165 HydrophobicContact CZ-CB 4.4Å; F161-C165 WeakPolarHBondContact O-CB 2.91Å; F161-C165 PolarHBondContact O-N 3.4Å; L162-C165 PolarHBondContact O-N 3.38Å; L163-C165 VanDerWaalsContact C-N 3.26Å; L163-C165 PolarHBondContact O-N 2.9Å; C165-D167 VanDerWaalsContact C-N 3.26Å; C165-D167 PolarHBondContact O-N 3.44Å; C165-S168 WeakPolarHBondContact O-CB 3.34Å; C165-S168 PolarHBondContact O-N 3.43Å; C165-S168 VanDerWaalsContact O-N 3.15Å; C165-F171 WeakPolarHBondContact O-CB 3.39Å
166	I	92.8	Very high	92.8	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68.8	-30.3	177.4	-60.9	173.2	0	0	0	110.8	L128 L162 L163 S168 W172 Q188 L192 Y195	L128-I166 HydrophobicContact CD1-CG1 4.34Å; L162-I166 HydrophobicContact CD2-CD1 3.46Å; L162-I166 VanDerWaalsContact CD2-CD1 3.46Å; L162-I166 HydrophobicContact CD2-CG1 4.39Å; L162-I166 HydrophobicContact CG-CD1 4.22Å; L162-I166 WeakPolarHBondContact O-CG1 3.29Å; L162-I166 PolarHBondContact O-N 3.13Å; L163-I166 PolarHBondContact O-N 3.35Å; I166-S168 PolarHBondContact O-N 3.43Å; I166-W172 HydrophobicContact CG2-CZ2 4.18Å; I166-W172 PolarHBondContact O-NE1 2.87Å; I166-Q188 PolarHBondContact O-NE2 3.37Å; I166-L192 HydrophobicContact CB-CD1 4.5Å; I166-L192 HydrophobicContact CG2-CB 4.33Å; I166-L192 HydrophobicContact CG2-CD1 4.02Å; I166-Y195 HydrophobicContact CD1-CD1 4.37Å; I166-Y195 HydrophobicContact CD1-CD2 3.51Å; I166-Y195 HydrophobicContact CD1-CE1 4.31Å; I166-Y195 HydrophobicContact CD1-CE2 3.46Å; I166-Y195 VanDerWaalsContact CD1-CE2 3.46Å; I166-Y195 HydrophobicContact CD1-CG 3.98Å
167	D	89.4	Confident	92.5	Very high	20 Å²	20	43.3 Å²	43.3	11%	0.107	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-1.9	175.7	-158.3	23.1	0	0	0	113.1	L163 C165 Q188 H325 K327	L163-D167 WeakPolarHBondContact O-CA 3.45Å; L163-D167 WeakPolarHBondContact O-CB 3.32Å; L163-D167 PolarHBondContact O-N 3.22Å; C165-D167 VanDerWaalsContact C-N 3.26Å; C165-D167 PolarHBondContact O-N 3.44Å; D167-Q188 PolarHBondContact O-NE2 3.09Å; D167-Q188 PolarHBondContact OD1-NE2 2.87Å; D167-Q188 VanDerWaalsContact OD1-NE2 3.15Å; D167-H325 IonicContact OD2-CG 3.36Å; D167-H325 IonicContact OD2-ND1 2.81Å; D167-H325 PolarHBondContact OD2-ND1 2.69Å; D167-K327 WeakPolarHBondContact O-CE 3.3Å; D167-K327 PolarHBondContact O-NZ 3.37Å; D167-K327 WeakPolarHBondContact OD1-CE 3.28Å; D167-K327 IonicContact OD1-NZ 2.72Å
168	S	90.1	Very high	92	Very high	41 Å²	41	42.5 Å²	42.5	29%	0.287	23%	0.234	S	C	.	.			trans	-91.5	128.9	-177.8	170.6	0	0	0	0	112.4	N164 C165 I166 K170 F171	N164-S168 WeakPolarHBondContact O-CB 3.39Å; N164-S168 PolarHBondContact O-N 2.91Å; N164-S168 VanDerWaalsContact O-N 3.13Å; C165-S168 WeakPolarHBondContact O-CB 3.34Å; C165-S168 PolarHBondContact O-N 3.43Å; C165-S168 VanDerWaalsContact O-N 3.15Å; I166-S168 PolarHBondContact O-N 3.43Å; S168-K170 PolarHBondContact O-N 3.16Å; S168-K170 PolarHBondContact OG-N 3.12Å; S168-F171 WeakPolarHBondContact O-CB 3.48Å; S168-F171 PolarHBondContact O-N 3.22Å; S168-F171 VanDerWaalsContact O-N 3.08Å
169	D	89.2	Confident	91.5	Very high	84 Å²	84	44 Å²	44	45%	0.449	24%	0.243	S	C	.	.	H	α-helix	trans	-58.3	-39.7	173.8	-62	-32.6	0	0	0	111.4	F171 W172 E173 K327	D169-F171 PolarHBondContact O-N 3.03Å; D169-F171 VanDerWaalsContact O-N 3.13Å; D169-W172 PolarHBondContact O-N 2.86Å; D169-W172 VanDerWaalsContact O-N 3.08Å; D169-E173 WeakPolarHBondContact O-CG 3.24Å; D169-E173 PolarHBondContact O-N 3.2Å; D169-K327 IonicContact OD1-NZ 3.35Å; D169-K327 PolarHBondContact OD1-NZ 2.99Å; D169-K327 IonicContact OD2-NZ 3.15Å
170	K	91.3	Very high	91.1	Very high	163 Å²	163	47 Å²	47	71%	0.709	26%	0.264	S	S	*	.	H	α-helix	trans	-58.9	-28.4	178.5	-61.3	-178.6	178.4	179.5	0	113.1	S168 R174	S168-K170 PolarHBondContact O-N 3.16Å; S168-K170 PolarHBondContact OG-N 3.12Å; K170-R174 VanDerWaalsContact O-CB 3.28Å; K170-R174 WeakPolarHBondContact O-CB 3.37Å; K170-R174 PolarHBondContact O-N 3.48Å
171	F	94	Very high	90.7	Very high	14 Å²	14	51.7 Å²	51.7	6%	0.061	28%	0.284	C	S	.	.	H	α-helix	trans	-69.7	-45.3	178.3	170.8	-94.3	0	0	0	110.3	V121 P125 L128 V129 C165 S168 D169 R174 L175	V121-F171 HydrophobicContact CG1-CE2 4.34Å; P125-F171 HydrophobicContact CB-CD2 4.16Å; P125-F171 HydrophobicContact CB-CE2 3.44Å; P125-F171 VanDerWaalsContact CB-CE2 3.44Å; P125-F171 HydrophobicContact CB-CZ 3.99Å; L128-F171 HydrophobicContact CB-CZ 4.35Å; L128-F171 HydrophobicContact CD1-CE2 4.11Å; L128-F171 HydrophobicContact CD1-CZ 4.28Å; V129-F171 HydrophobicContact CG2-CE1 4.16Å; V129-F171 HydrophobicContact CG2-CZ 4.17Å; C165-F171 WeakPolarHBondContact O-CB 3.39Å; S168-F171 WeakPolarHBondContact O-CB 3.48Å; S168-F171 PolarHBondContact O-N 3.22Å; S168-F171 VanDerWaalsContact O-N 3.08Å; D169-F171 PolarHBondContact O-N 3.03Å; D169-F171 VanDerWaalsContact O-N 3.13Å; F171-R174 WeakPolarHBondContact O-CB 3.43Å; F171-R174 PolarHBondContact O-N 3.16Å; F171-L175 HydrophobicContact CE1-CD2 4.41Å; F171-L175 PolarHBondContact O-N 3.03Å
172	W	93.1	Very high	90.3	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-74.3	-37.6	-179.4	-65.1	99.5	0	0	0	113	V129 I166 D169 R174 L175 Y176 S184 R187 Q188 V191	V129-W172 HydrophobicContact CG1-CH2 4.27Å; V129-W172 HydrophobicContact CG1-CZ3 4.46Å; V129-W172 HydrophobicContact CG2-CH2 3.94Å; I166-W172 HydrophobicContact CG2-CZ2 4.18Å; I166-W172 PolarHBondContact O-NE1 2.87Å; D169-W172 PolarHBondContact O-N 2.86Å; D169-W172 VanDerWaalsContact O-N 3.08Å; W172-R174 PolarHBondContact O-N 3.44Å; W172-L175 HydrophobicContact CE3-CD2 4.01Å; W172-L175 HydrophobicContact CZ3-CD2 3.85Å; W172-L175 PolarHBondContact O-N 3.21Å; W172-L175 VanDerWaalsContact O-N 3.14Å; W172-Y176 HydrophobicContact CE3-CD2 4.3Å; W172-Y176 HydrophobicContact CE3-CE2 4.23Å; W172-Y176 HydrophobicContact CZ3-CE2 4.18Å; W172-Y176 PolarHBondContact O-N 2.93Å; W172-S184 VanDerWaalsContact CB-OG 3.29Å; W172-S184 WeakPolarHBondContact CB-OG 3.41Å; W172-R187 HydrophobicContact CE3-CG 4.18Å; W172-R187 HydrophobicContact CH2-CG 4.28Å; W172-R187 HydrophobicContact CZ3-CG 3.75Å; W172-Q188 HydrophobicContact CD2-CB 4.27Å; W172-Q188 HydrophobicContact CG-CB 4.3Å; W172-Q188 HydrophobicContact CZ2-CB 4.28Å; W172-Q188 VanDerWaalsContact NE1-CG 3.32Å; W172-V191 HydrophobicContact CH2-CB 3.76Å; W172-V191 HydrophobicContact CH2-CG1 3.92Å; W172-V191 HydrophobicContact CH2-CG2 3.74Å; W172-V191 HydrophobicContact CZ2-CB 4.02Å; W172-V191 HydrophobicContact CZ2-CG1 4.16Å; W172-V191 HydrophobicContact CZ2-CG2 4.47Å
173	E	91.7	Very high	89.9	Confident	106 Å²	106	55.2 Å²	55.2	50%	0.495	31%	0.306	S	S	.	.	H	α-helix	trans	-58.4	-37.5	171.5	-72.2	175.7	174.7	0	0	111.8	D169 Y176 P177	D169-E173 WeakPolarHBondContact O-CG 3.24Å; D169-E173 PolarHBondContact O-N 3.2Å; E173-Y176 CarbonylContact O-C 3.59Å; E173-P177 WeakPolarHBondContact O-CA 3.09Å
174	R	92.5	Very high	89.7	Confident	87 Å²	87	55.9 Å²	55.9	33%	0.328	31%	0.311	S	S	.	.	H	α-helix	trans	-70.9	-39.1	175.7	-177.4	179.2	-179.6	-163.1	-6.8	112	Y94 D122 K170 F171 W172	Y94-R174 HydrophobicContact CE2-CG 3.96Å; Y94-R174 WeakPolarHBondContact CE2-O 3.34Å; Y94-R174 PolarHBondContact OH-NE 3.22Å; Y94-R174 PolarHBondContact OH-NH2 2.91Å; Y94-R174 VanDerWaalsContact OH-NH2 3.08Å; D122-R174 PolarHBondContact O-NH1 3.03Å; D122-R174 PolarHBondContact O-NH2 3Å; K170-R174 VanDerWaalsContact O-CB 3.28Å; K170-R174 WeakPolarHBondContact O-CB 3.37Å; K170-R174 PolarHBondContact O-N 3.48Å; F171-R174 WeakPolarHBondContact O-CB 3.43Å; F171-R174 PolarHBondContact O-N 3.16Å; W172-R174 PolarHBondContact O-N 3.44Å
175	L	91.5	Very high	89.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-71.6	-38.9	-177.8	-164.8	67.1	0	0	0	112.1	S92 P93 Y94 P125 M126 V129 F171 W172	S92-L175 VanDerWaalsContact CA-O 3.31Å; S92-L175 WeakPolarHBondContact CA-O 3.44Å; S92-L175 WeakPolarHBondContact CB-O 3.07Å; S92-L175 WeakPolarHBondContact OG-CD1 3.35Å; S92-L175 PolarHBondContact OG-O 2.82Å; P93-L175 VanDerWaalsContact CD-O 3.29Å; P93-L175 WeakPolarHBondContact CD-O 3.49Å; Y94-L175 HydrophobicContact CD2-CD1 4.49Å; P125-L175 HydrophobicContact CB-CD1 4Å; P125-L175 HydrophobicContact CG-CD1 3.75Å; M126-L175 HydrophobicContact CG-CD1 3.98Å; M126-L175 HydrophobicContact SD-CD1 3.63Å; M126-L175 HydrophobicContact SD-CG 4.4Å; V129-L175 HydrophobicContact CB-CD2 4.35Å; F171-L175 HydrophobicContact CE1-CD2 4.41Å; F171-L175 PolarHBondContact O-N 3.03Å; W172-L175 HydrophobicContact CE3-CD2 4.01Å; W172-L175 HydrophobicContact CZ3-CD2 3.85Å; W172-L175 PolarHBondContact O-N 3.21Å; W172-L175 VanDerWaalsContact O-N 3.14Å
176	Y	91	Very high	89.4	Confident	14 Å²	14	56.9 Å²	56.9	6%	0.055	31%	0.307	C	S	.	.	S	Bend	trans	-134.2	80.2	-178.8	-57	-68.6	0	0	0	111.3	E90 D133 W172 E173 G178	E90-Y176 HydrophobicContact CB-CD1 4.3Å; E90-Y176 WeakPolarHBondContact O-CE1 3.37Å; D133-Y176 PolarHBondContact OD1-OH 3.34Å; W172-Y176 HydrophobicContact CE3-CD2 4.3Å; W172-Y176 HydrophobicContact CE3-CE2 4.23Å; W172-Y176 HydrophobicContact CZ3-CE2 4.18Å; W172-Y176 PolarHBondContact O-N 2.93Å; E173-Y176 CarbonylContact O-C 3.59Å; Y176-G178 PolarHBondContact O-N 3.48Å
177	P	87	Confident	89.3	Confident	90 Å²	90	59 Å²	59	58%	0.584	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	123.8	178	-19.2	32.2	0	0	0	110.6	P93 E173	P93-P177 HydrophobicContact CG-CG 4.29Å; E173-P177 WeakPolarHBondContact O-CA 3.09Å
178	G	83.7	Confident	89.4	Confident	86 Å²	86	58 Å²	58	89%	0.887	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.4	-2	174.1	0	0	0	0	0	116	Y176	Y176-G178 PolarHBondContact O-N 3.48Å
179	V	86.5	Confident	89.4	Confident	32 Å²	32	56.7 Å²	56.7	19%	0.194	30%	0.3	C	S	.	.			trans	-73.4	146.8	173.7	-179.5	0	0	0	0	110.4	E90 A183	E90-V179 HydrophobicContact CB-CG2 4.2Å; E90-V179 VanDerWaalsContact CD-CG2 3.43Å; E90-V179 HydrophobicContact CG-CG2 3.91Å; E90-V179 WeakPolarHBondContact OE2-CG2 3.36Å; V179-A183 HydrophobicContact CG1-CB 3.68Å
180	S	87.8	Confident	89.5	Confident	62 Å²	62	57.9 Å²	57.9	43%	0.434	30%	0.298	S	S	.	.			trans	-58.7	149.7	174.2	65.7	0	0	0	0	111.5	E182 A183 S184	S180-E182 PolarHBondContact O-N 3.22Å; S180-A183 PolarHBondContact O-N 3.36Å; S180-A183 WeakPolarHBondContact OG-CB 3.46Å; S180-A183 PolarHBondContact OG-N 3.07Å; S180-S184 WeakPolarHBondContact O-CB 2.99Å; S180-S184 PolarHBondContact O-N 2.85Å
181	K	86.1	Confident	89.6	Confident	154 Å²	154	50.1 Å²	50.1	67%	0.67	27%	0.265	S	S	*	.	H	α-helix	trans	-63.2	-33.9	-179.5	-70.4	-175.4	176.8	-179.3	0	111.4	Y185	K181-Y185 WeakPolarHBondContact O-CB 3.46Å; K181-Y185 PolarHBondContact O-N 2.86Å
182	E	85.2	Confident	89.6	Confident	80 Å²	80	49.5 Å²	49.5	37%	0.374	26%	0.262	S	S	.	.	H	α-helix	trans	-68.2	-46	179.6	-60.3	66.1	-141.3	0	0	111	S180 Y185 W186 P330	S180-E182 PolarHBondContact O-N 3.22Å; E182-Y185 WeakPolarHBondContact O-CB 3.44Å; E182-Y185 PolarHBondContact O-N 3.49Å; E182-W186 PolarHBondContact O-N 2.87Å; E182-P330 HydrophobicContact CG-CG 4.36Å
183	A	87.2	Confident	89.6	Confident	35 Å²	35	50.3 Å²	50.3	29%	0.289	27%	0.267	S	S	.	.	H	α-helix	trans	-66.7	-41.9	176.9	0	0	0	0	0	111.6	V179 S180 Y185 W186 R187	V179-A183 HydrophobicContact CG1-CB 3.68Å; S180-A183 PolarHBondContact O-N 3.36Å; S180-A183 WeakPolarHBondContact OG-CB 3.46Å; S180-A183 PolarHBondContact OG-N 3.07Å; A183-Y185 VanDerWaalsContact C-N 3.31Å; A183-Y185 PolarHBondContact O-N 3.24Å; A183-W186 PolarHBondContact O-N 2.93Å; A183-R187 WeakPolarHBondContact O-CB 3.3Å; A183-R187 PolarHBondContact O-N 2.84Å
184	S	89.9	Confident	89.8	Confident	16 Å²	16	46.7 Å²	46.7	11%	0.112	25%	0.251	C	S	.	.	H	α-helix	trans	-57.2	-44.3	173.3	-175.1	0	0	0	0	111.6	W172 S180 R187 Q188	W172-S184 VanDerWaalsContact CB-OG 3.29Å; W172-S184 WeakPolarHBondContact CB-OG 3.41Å; S180-S184 WeakPolarHBondContact O-CB 2.99Å; S180-S184 PolarHBondContact O-N 2.85Å; S184-R187 PolarHBondContact O-N 2.79Å; S184-Q188 VanDerWaalsContact O-CB 3.22Å; S184-Q188 WeakPolarHBondContact O-CB 3.35Å; S184-Q188 PolarHBondContact O-N 2.91Å
185	Y	88.6	Confident	90	Very high	17 Å²	17	42.6 Å²	42.6	7%	0.067	24%	0.235	C	C	.	.	H	α-helix	trans	-59.4	-51.9	175.7	174.6	-92.2	0	0	0	112.2	K181 E182 A183 R187 Q188 Q189 K327 F329	K181-Y185 WeakPolarHBondContact O-CB 3.46Å; K181-Y185 PolarHBondContact O-N 2.86Å; E182-Y185 WeakPolarHBondContact O-CB 3.44Å; E182-Y185 PolarHBondContact O-N 3.49Å; A183-Y185 VanDerWaalsContact C-N 3.31Å; A183-Y185 PolarHBondContact O-N 3.24Å; Y185-R187 VanDerWaalsContact C-N 3.34Å; Y185-R187 PolarHBondContact O-N 3.44Å; Y185-Q188 WeakPolarHBondContact O-CB 3.27Å; Y185-Q188 PolarHBondContact O-N 2.86Å; Y185-Q189 HydrophobicContact CD1-CG 4.18Å; Y185-Q189 HydrophobicContact CD2-CG 4.45Å; Y185-Q189 HydrophobicContact CE1-CG 3.77Å; Y185-Q189 HydrophobicContact CE2-CG 4.1Å; Y185-Q189 WeakPolarHBondContact O-CG 3.42Å; Y185-Q189 PolarHBondContact O-N 3.06Å; Y185-K327 HydrophobicContact CE2-CB 3.86Å; Y185-K327 PolarHBondContact OH-O 3.4Å; Y185-F329 AromaticContact CD1-CD2 3.93Å; Y185-F329 HydrophobicContact CD1-CD2 3.93Å; Y185-F329 HydrophobicContact CD1-CE2 4.42Å; Y185-F329 AromaticContact CE1-CD2 3.71Å; Y185-F329 HydrophobicContact CE1-CD2 3.71Å
186	W	88.4	Confident	90.2	Very high	92 Å²	92	42.7 Å²	42.7	35%	0.348	24%	0.235	S	C	.	.	H	α-helix	trans	-63.9	-39.9	-179.1	-73.8	116.6	0	0	0	112.6	E182 A183 Q189 Y190 F329 K340	E182-W186 PolarHBondContact O-N 2.87Å; A183-W186 PolarHBondContact O-N 2.93Å; W186-Q189 PolarHBondContact O-N 2.78Å; W186-Y190 WeakPolarHBondContact O-CB 3.47Å; W186-Y190 PolarHBondContact O-N 2.59Å; W186-F329 AromaticContact CE2-CE2 3.7Å; W186-F329 HydrophobicContact CH2-CD2 4.46Å; W186-F329 AromaticContact CZ2-CD2 3.77Å; W186-F329 HydrophobicContact CZ2-CD2 3.77Å; W186-F329 AromaticContact CZ2-CE2 3.55Å; W186-F329 HydrophobicContact CZ2-CE2 3.55Å; W186-F329 HydrophobicContact CZ2-CZ 4.37Å; W186-F329 AromaticContact NE1-CE2 3.52Å; W186-K340 HydrophobicContact CH2-CB 4.05Å; W186-K340 HydrophobicContact CH2-CD 4.18Å
187	R	91.2	Very high	90.5	Very high	44 Å²	44	42.7 Å²	42.7	17%	0.166	24%	0.237	C	C	.	.	H	α-helix	trans	-60.9	-47.6	174.3	177.8	177.9	-73.6	136.8	5.1	111.1	E90 D133 W172 A183 S184 Y185 Q189 Y190 V191	E90-R187 IonicContact OE2-CZ 2.9Å; E90-R187 IonicContact OE2-NH1 3.35Å; E90-R187 PolarHBondContact OE2-NH1 3.11Å; E90-R187 IonicContact OE2-NH2 3.49Å; E90-R187 PolarHBondContact OE2-NH2 3.08Å; D133-R187 HydrophobicContact CB-CG 4.36Å; D133-R187 VanDerWaalsContact CG-NE 3.26Å; D133-R187 WeakPolarHBondContact OD1-CD 3.49Å; D133-R187 IonicContact OD1-NE 2.78Å; D133-R187 PolarHBondContact OD1-NE 2.83Å; D133-R187 IonicContact OD2-CZ 3.61Å; D133-R187 IonicContact OD2-NE 2.62Å; D133-R187 PolarHBondContact OD2-NE 2.6Å; D133-R187 IonicContact OD2-NH2 3.87Å; D133-R187 PolarHBondContact OD2-NH2 3.34Å; W172-R187 HydrophobicContact CE3-CG 4.18Å; W172-R187 HydrophobicContact CH2-CG 4.28Å; W172-R187 HydrophobicContact CZ3-CG 3.75Å; A183-R187 WeakPolarHBondContact O-CB 3.3Å; A183-R187 PolarHBondContact O-N 2.84Å; S184-R187 PolarHBondContact O-N 2.79Å; Y185-R187 VanDerWaalsContact C-N 3.34Å; Y185-R187 PolarHBondContact O-N 3.44Å; R187-Q189 PolarHBondContact O-N 3.48Å; R187-Y190 PolarHBondContact O-N 3.01Å; R187-V191 WeakPolarHBondContact O-CG2 3.19Å; R187-V191 PolarHBondContact O-N 3.45Å
188	Q	91.3	Very high	90.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-55.9	-52.4	175.9	173.4	-175	28.1	0	0	111.3	I166 D167 W172 S184 Y185 Y190 V191 L192 K327	I166-Q188 PolarHBondContact O-NE2 3.37Å; D167-Q188 PolarHBondContact O-NE2 3.09Å; D167-Q188 PolarHBondContact OD1-NE2 2.87Å; D167-Q188 VanDerWaalsContact OD1-NE2 3.15Å; W172-Q188 HydrophobicContact CD2-CB 4.27Å; W172-Q188 HydrophobicContact CG-CB 4.3Å; W172-Q188 HydrophobicContact CZ2-CB 4.28Å; W172-Q188 VanDerWaalsContact NE1-CG 3.32Å; S184-Q188 VanDerWaalsContact O-CB 3.22Å; S184-Q188 WeakPolarHBondContact O-CB 3.35Å; S184-Q188 PolarHBondContact O-N 2.91Å; Y185-Q188 WeakPolarHBondContact O-CB 3.27Å; Y185-Q188 PolarHBondContact O-N 2.86Å; Q188-Y190 VanDerWaalsContact C-N 3.29Å; Q188-Y190 PolarHBondContact O-N 3.36Å; Q188-V191 PolarHBondContact O-N 2.88Å; Q188-L192 VanDerWaalsContact O-CB 3.23Å; Q188-L192 WeakPolarHBondContact O-CB 3.43Å; Q188-L192 PolarHBondContact O-N 3.12Å; Q188-K327 VanDerWaalsContact CD-NZ 3.32Å
189	Q	90.1	Very high	91.4	Very high	13 Å²	13	38 Å²	38	6%	0.061	19%	0.191	C	C	.	.	H	α-helix	trans	-60	-41.4	-179.3	-68.1	-58.4	-67.2	0	0	111.5	Y185 W186 R187 D193	Y185-Q189 HydrophobicContact CD1-CG 4.18Å; Y185-Q189 HydrophobicContact CD2-CG 4.45Å; Y185-Q189 HydrophobicContact CE1-CG 3.77Å; Y185-Q189 HydrophobicContact CE2-CG 4.1Å; Y185-Q189 WeakPolarHBondContact O-CG 3.42Å; Y185-Q189 PolarHBondContact O-N 3.06Å; W186-Q189 PolarHBondContact O-N 2.78Å; R187-Q189 PolarHBondContact O-N 3.48Å; Q189-D193 WeakPolarHBondContact O-CB 3.2Å; Q189-D193 PolarHBondContact O-N 2.96Å
190	Y	92.2	Very high	91.8	Very high	108 Å²	108	36.5 Å²	36.5	42%	0.424	18%	0.182	S	C	.	.	H	α-helix	trans	-62.2	-50.6	176.9	174.9	-108.9	0	0	0	112.4	D133 W186 R187 Q188 L192 D193 L194	D133-Y190 WeakPolarHBondContact O-CE1 3.32Å; W186-Y190 WeakPolarHBondContact O-CB 3.47Å; W186-Y190 PolarHBondContact O-N 2.59Å; R187-Y190 PolarHBondContact O-N 3.01Å; Q188-Y190 VanDerWaalsContact C-N 3.29Å; Q188-Y190 PolarHBondContact O-N 3.36Å; Y190-L192 VanDerWaalsContact C-N 3.3Å; Y190-L192 PolarHBondContact O-N 3.09Å; Y190-D193 PolarHBondContact O-N 3.48Å; Y190-L194 HydrophobicContact CD1-CD1 4.2Å; Y190-L194 HydrophobicContact CE1-CD1 3.59Å; Y190-L194 HydrophobicContact CE1-CG 4.41Å; Y190-L194 HydrophobicContact CE2-CD1 4.22Å; Y190-L194 HydrophobicContact CE2-CD2 4.47Å; Y190-L194 HydrophobicContact CE2-CG 4.29Å; Y190-L194 WeakPolarHBondContact O-CG 3.29Å; Y190-L194 PolarHBondContact O-N 3.5Å
191	V	94	Very high	91.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.4	-36.6	-179.6	173.1	0	0	0	0	111.6	V129 D133 W172 R187 Q188 L194 Y195	V129-V191 HydrophobicContact CG1-CG1 4.45Å; V129-V191 HydrophobicContact CG1-CG2 4.4Å; V129-V191 HydrophobicContact CG2-CG1 4.11Å; D133-V191 HydrophobicContact CB-CG2 4.17Å; D133-V191 VanDerWaalsContact O-CG2 3.3Å; D133-V191 WeakPolarHBondContact O-CG2 3.38Å; W172-V191 HydrophobicContact CH2-CB 3.76Å; W172-V191 HydrophobicContact CH2-CG1 3.92Å; W172-V191 HydrophobicContact CH2-CG2 3.74Å; W172-V191 HydrophobicContact CZ2-CB 4.02Å; W172-V191 HydrophobicContact CZ2-CG1 4.16Å; W172-V191 HydrophobicContact CZ2-CG2 4.47Å; R187-V191 WeakPolarHBondContact O-CG2 3.19Å; R187-V191 PolarHBondContact O-N 3.45Å; Q188-V191 PolarHBondContact O-N 2.88Å; V191-L194 PolarHBondContact O-N 3.25Å; V191-Y195 HydrophobicContact CG1-CD2 3.84Å; V191-Y195 HydrophobicContact CG1-CE2 4.05Å; V191-Y195 WeakPolarHBondContact O-CD2 3.46Å; V191-Y195 PolarHBondContact O-N 2.88Å
192	L	93.2	Very high	92	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-66.6	-43.2	176.6	-171.5	56.1	0	0	0	112	L163 I166 Q188 Y190 L194 Y195 L196 H226 L228	L163-L192 HydrophobicContact CD2-CD1 4.11Å; I166-L192 HydrophobicContact CB-CD1 4.5Å; I166-L192 HydrophobicContact CG2-CB 4.33Å; I166-L192 HydrophobicContact CG2-CD1 4.02Å; Q188-L192 VanDerWaalsContact O-CB 3.23Å; Q188-L192 WeakPolarHBondContact O-CB 3.43Å; Q188-L192 PolarHBondContact O-N 3.12Å; Y190-L192 VanDerWaalsContact C-N 3.3Å; Y190-L192 PolarHBondContact O-N 3.09Å; L192-L194 VanDerWaalsContact C-N 3.34Å; L192-L194 PolarHBondContact O-N 2.89Å; L192-Y195 WeakPolarHBondContact O-CB 3.47Å; L192-Y195 PolarHBondContact O-N 3.47Å; L192-L196 HydrophobicContact CD1-CD1 4.11Å; L192-L196 HydrophobicContact CD1-CG 4.44Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 WeakPolarHBondContact O-CD1 3.48Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 3.02Å; L192-H226 VanDerWaalsContact CD2-CE1 3.47Å; L192-H226 WeakPolarHBondContact CD2-CE1 3.43Å; L192-H226 WeakPolarHBondContact CD2-NE2 3.42Å; L192-L228 HydrophobicContact CB-CD1 4.02Å; L192-L228 HydrophobicContact CD2-CD1 4.02Å; L192-L228 HydrophobicContact CG-CD1 3.98Å
193	D	93.9	Very high	92.4	Very high	20 Å²	20	32.9 Å²	32.9	11%	0.107	18%	0.175	C	C	.	.	H	α-helix	trans	-56.3	-47.8	171	176.5	68	0	0	0	111.1	Q189 Y190 Y195 L196 N197 L228	Q189-D193 WeakPolarHBondContact O-CB 3.2Å; Q189-D193 PolarHBondContact O-N 2.96Å; Y190-D193 PolarHBondContact O-N 3.48Å; D193-Y195 VanDerWaalsContact C-N 3.32Å; D193-Y195 PolarHBondContact O-N 2.91Å; D193-L196 PolarHBondContact O-N 3.44Å; D193-N197 VanDerWaalsContact O-CB 3.3Å; D193-N197 WeakPolarHBondContact O-CB 3.23Å; D193-N197 PolarHBondContact O-N 2.97Å; D193-N197 PolarHBondContact OD1-ND2 2.77Å; D193-L228 HydrophobicContact CB-CD1 4.45Å
194	L	95.6	Very high	92.8	Very high	30 Å²	30	35.5 Å²	35.5	16%	0.157	18%	0.18	C	C	.	.	H	α-helix	trans	-60.8	-41.1	177	-69.3	-178.3	0	0	0	112.2	T134 P135 Y190 V191 L192 L196 S198	T134-L194 HydrophobicContact CG2-CD1 4.04Å; P135-L194 HydrophobicContact CG-CB 3.56Å; Y190-L194 HydrophobicContact CD1-CD1 4.2Å; Y190-L194 HydrophobicContact CE1-CD1 3.59Å; Y190-L194 HydrophobicContact CE1-CG 4.41Å; Y190-L194 HydrophobicContact CE2-CD1 4.22Å; Y190-L194 HydrophobicContact CE2-CD2 4.47Å; Y190-L194 HydrophobicContact CE2-CG 4.29Å; Y190-L194 WeakPolarHBondContact O-CG 3.29Å; Y190-L194 PolarHBondContact O-N 3.5Å; V191-L194 PolarHBondContact O-N 3.25Å; L192-L194 VanDerWaalsContact C-N 3.34Å; L192-L194 PolarHBondContact O-N 2.89Å; L194-L196 VanDerWaalsContact C-N 3.34Å; L194-L196 PolarHBondContact O-N 3.29Å; L194-S198 WeakPolarHBondContact CA-OG 3.38Å; L194-S198 WeakPolarHBondContact O-CB 3.4Å; L194-S198 PolarHBondContact O-N 3.08Å; L194-S198 PolarHBondContact O-OG 2.97Å
195	Y	96.5	Very high	93.2	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-45	177.2	-104.6	-71.1	0	0	0	111.8	L128 P135 N145 A146 L147 L162 I166 V191 L192 D193 P207	L128-Y195 WeakPolarHBondContact O-CE2 3.27Å; L128-Y195 PolarHBondContact O-OH 3.36Å; P135-Y195 HydrophobicContact CB-CD1 4.11Å; P135-Y195 HydrophobicContact CB-CD2 3.73Å; P135-Y195 HydrophobicContact CB-CE1 3.95Å; P135-Y195 HydrophobicContact CB-CE2 3.53Å; P135-Y195 HydrophobicContact CB-CG 4.02Å; P135-Y195 HydrophobicContact CG-CD1 4.42Å; P135-Y195 HydrophobicContact CG-CD2 3.55Å; P135-Y195 HydrophobicContact CG-CE2 3.84Å; P135-Y195 HydrophobicContact CG-CG 3.88Å; N145-Y195 HydrophobicContact CB-CD1 4.11Å; N145-Y195 HydrophobicContact CB-CE1 3.99Å; N145-Y195 PolarHBondContact ND2-O 2.92Å; A146-Y195 HydrophobicContact CB-CE1 4.05Å; L147-Y195 HydrophobicContact CB-CD1 4.39Å; L147-Y195 HydrophobicContact CD1-CD1 3.97Å; L147-Y195 HydrophobicContact CD1-CG 4.29Å; L147-Y195 HydrophobicContact CG-CD1 3.76Å; L162-Y195 HydrophobicContact CD2-CD1 4.42Å; L162-Y195 HydrophobicContact CD2-CE1 4.25Å; I166-Y195 HydrophobicContact CD1-CD1 4.37Å; I166-Y195 HydrophobicContact CD1-CD2 3.51Å; I166-Y195 HydrophobicContact CD1-CE1 4.31Å; I166-Y195 HydrophobicContact CD1-CE2 3.46Å; I166-Y195 VanDerWaalsContact CD1-CE2 3.46Å; I166-Y195 HydrophobicContact CD1-CG 3.98Å; V191-Y195 HydrophobicContact CG1-CD2 3.84Å; V191-Y195 HydrophobicContact CG1-CE2 4.05Å; V191-Y195 WeakPolarHBondContact O-CD2 3.46Å; V191-Y195 PolarHBondContact O-N 2.88Å; L192-Y195 WeakPolarHBondContact O-CB 3.47Å; L192-Y195 PolarHBondContact O-N 3.47Å; D193-Y195 VanDerWaalsContact C-N 3.32Å; D193-Y195 PolarHBondContact O-N 2.91Å; Y195-P207 WeakPolarHBondContact O-CG 3.35Å
196	L	95.4	Very high	93.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-80.4	-33.3	-173.9	-66.7	165.3	0	0	0	113.7	L147 L163 L192 D193 L194 P207 L223 H226 L228 T229	L147-L196 HydrophobicContact CD1-CD2 3.88Å; L147-L196 HydrophobicContact CD1-CG 4.37Å; L163-L196 HydrophobicContact CD2-CD2 3.88Å; L192-L196 HydrophobicContact CD1-CD1 4.11Å; L192-L196 HydrophobicContact CD1-CG 4.44Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 WeakPolarHBondContact O-CD1 3.48Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 3.02Å; D193-L196 PolarHBondContact O-N 3.44Å; L194-L196 VanDerWaalsContact C-N 3.34Å; L194-L196 PolarHBondContact O-N 3.29Å; L196-P207 WeakPolarHBondContact O-CD 3.46Å; L196-L223 HydrophobicContact CD2-CD2 3.67Å; L196-H226 HydrophobicContact CD1-CB 4.42Å; L196-H226 VanDerWaalsContact CD1-CE1 3.48Å; L196-H226 WeakPolarHBondContact CD1-CE1 3.37Å; L196-H226 WeakPolarHBondContact CD1-ND1 3.35Å; L196-L228 HydrophobicContact CD1-CB 3.98Å; L196-T229 WeakPolarHBondContact CD2-OG1 3.4Å
197	N	96.3	Very high	94	Very high	15 Å²	15	30.1 Å²	30.1	8%	0.08	16%	0.158	C	C	.	.	H	α-helix	trans	-120.3	-10.3	-165.3	-63.8	-40.3	0	0	0	114.7	D193 P199 L228 K230	D193-N197 VanDerWaalsContact O-CB 3.3Å; D193-N197 WeakPolarHBondContact O-CB 3.23Å; D193-N197 PolarHBondContact O-N 2.97Å; D193-N197 PolarHBondContact OD1-ND2 2.77Å; N197-P199 VanDerWaalsContact O-CD 3.28Å; N197-P199 WeakPolarHBondContact O-CD 3.43Å; N197-L228 PolarHBondContact ND2-O 3.35Å; N197-K230 HydrophobicContact CB-CD 4.25Å; N197-K230 PolarHBondContact OD1-N 2.9Å
198	S	94.6	Very high	94.3	Very high	39 Å²	39	28.1 Å²	28.1	27%	0.273	15%	0.151	S	C	.	.	P	Polyproline II helix	trans	-66.4	121.9	172.7	-61.3	0	0	0	0	109.1	H148 L194	H148-S198 PolarHBondContact CE1-O 3.24Å; H148-S198 PolarHBondContact NE2-O 3.21Å; L194-S198 WeakPolarHBondContact CA-OG 3.38Å; L194-S198 WeakPolarHBondContact O-CB 3.4Å; L194-S198 PolarHBondContact O-N 3.08Å; L194-S198 PolarHBondContact O-OG 2.97Å
199	P	95.4	Very high	94.6	Very high	37 Å²	37	28.1 Å²	28.1	24%	0.24	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-79.4	157.1	175.3	31.8	-32.2	0	0	0	111.2	N197 F204 E205 T206	N197-P199 VanDerWaalsContact O-CD 3.28Å; N197-P199 WeakPolarHBondContact O-CD 3.43Å; P199-F204 HydrophobicContact CB-CB 4.42Å; P199-F204 HydrophobicContact CB-CD1 3.98Å; P199-F204 HydrophobicContact CB-CD2 3.94Å; P199-F204 HydrophobicContact CB-CE1 4.25Å; P199-F204 HydrophobicContact CB-CE2 4.21Å; P199-F204 HydrophobicContact CB-CG 3.83Å; P199-F204 HydrophobicContact CB-CZ 4.37Å; P199-F204 WeakPolarHBondContact CB-O 3.44Å; P199-F204 HydrophobicContact CG-CD1 3.86Å; P199-F204 HydrophobicContact CG-CD2 3.63Å; P199-F204 HydrophobicContact CG-CE1 3.63Å; P199-F204 HydrophobicContact CG-CE2 3.37Å; P199-F204 HydrophobicContact CG-CG 3.87Å; P199-F204 HydrophobicContact CG-CZ 3.38Å; P199-E205 WeakPolarHBondContact CA-O 3.38Å; P199-T206 HydrophobicContact CB-CG2 4.34Å
200	E	94.4	Very high	95	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.009	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-76.2	156.3	170.6	66.6	88.5	-165.5	0	0	112.8	F142 Y144 G202 N203 F204 E205 F210	F142-E200 WeakPolarHBondContact O-CA 3.44Å; F142-E200 VanDerWaalsContact O-CB 3.29Å; F142-E200 WeakPolarHBondContact O-CB 3.38Å; Y144-E200 HydrophobicContact CD1-CB 3.67Å; Y144-E200 HydrophobicContact CD1-CG 4.43Å; Y144-E200 HydrophobicContact CE1-CB 3.52Å; Y144-E200 HydrophobicContact CE1-CG 3.82Å; E200-G202 VanDerWaalsContact C-N 3.34Å; E200-G202 PolarHBondContact O-N 2.84Å; E200-G202 VanDerWaalsContact OE2-CA 3.22Å; E200-G202 WeakPolarHBondContact OE2-CA 3.44Å; E200-G202 PolarHBondContact OE2-N 2.93Å; E200-N203 WeakPolarHBondContact OE1-CA 3.48Å; E200-N203 WeakPolarHBondContact OE1-CB 3.41Å; E200-N203 PolarHBondContact OE1-N 2.89Å; E200-F204 WeakPolarHBondContact O-CA 3.34Å; E200-F204 PolarHBondContact O-N 3.47Å; E200-E205 HydrophobicContact CG-CB 4.13Å; E200-E205 WeakPolarHBondContact CG-O 3.29Å; E200-E205 PolarHBondContact N-O 3.41Å; E200-F210 HydrophobicContact CG-CE2 3.66Å; E200-F210 HydrophobicContact CG-CZ 3.86Å
201	L	90.5	Very high	95.2	Very high	106 Å²	106	22.6 Å²	22.6	56%	0.555	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-17.3	-168.9	-172.4	58.9	0	0	0	114.6	F142 R143	F142-L201 PolarHBondContact O-N 3.33Å; R143-L201 HydrophobicContact CG-CB 4.3Å; R143-L201 HydrophobicContact CG-CD2 4.46Å
202	G	88.8	Confident	95.3	Very high	34 Å²	34	22.6 Å²	22.6	35%	0.351	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-69.9	-174.8	0	0	0	0	0	114.5	E200 F236	E200-G202 VanDerWaalsContact C-N 3.34Å; E200-G202 PolarHBondContact O-N 2.84Å; E200-G202 VanDerWaalsContact OE2-CA 3.22Å; E200-G202 WeakPolarHBondContact OE2-CA 3.44Å; E200-G202 PolarHBondContact OE2-N 2.93Å; G202-F236 VanDerWaalsContact O-CD2 3.27Å; G202-F236 WeakPolarHBondContact O-CD2 3.33Å; G202-F236 VanDerWaalsContact O-CE2 3.31Å; G202-F236 WeakPolarHBondContact O-CE2 3.5Å
203	N	93.3	Very high	95.4	Very high	80 Å²	80	23.3 Å²	23.3	43%	0.428	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-0.5	179.4	-55.8	-64.5	0	0	0	112.8	E200 E205 N235 F236	E200-N203 WeakPolarHBondContact OE1-CA 3.48Å; E200-N203 WeakPolarHBondContact OE1-CB 3.41Å; E200-N203 PolarHBondContact OE1-N 2.89Å; N203-E205 VanDerWaalsContact C-N 3.34Å; N203-E205 HydrophobicContact CB-CG 3.91Å; N203-N235 VanDerWaalsContact O-CB 3.31Å; N203-N235 WeakPolarHBondContact O-CB 3.25Å; N203-F236 PolarHBondContact O-N 3.05Å
204	F	95.6	Very high	95.4	Very high	89 Å²	89	26 Å²	26	39%	0.39	14%	0.141	S	C	.	.			trans	64.1	37.5	-175.3	-145.5	-109.5	0	0	0	113.6	P199 E200 N235 F236	P199-F204 HydrophobicContact CB-CB 4.42Å; P199-F204 HydrophobicContact CB-CD1 3.98Å; P199-F204 HydrophobicContact CB-CD2 3.94Å; P199-F204 HydrophobicContact CB-CE1 4.25Å; P199-F204 HydrophobicContact CB-CE2 4.21Å; P199-F204 HydrophobicContact CB-CG 3.83Å; P199-F204 HydrophobicContact CB-CZ 4.37Å; P199-F204 WeakPolarHBondContact CB-O 3.44Å; P199-F204 HydrophobicContact CG-CD1 3.86Å; P199-F204 HydrophobicContact CG-CD2 3.63Å; P199-F204 HydrophobicContact CG-CE1 3.63Å; P199-F204 HydrophobicContact CG-CE2 3.37Å; P199-F204 HydrophobicContact CG-CG 3.87Å; P199-F204 HydrophobicContact CG-CZ 3.38Å; E200-F204 WeakPolarHBondContact O-CA 3.34Å; E200-F204 PolarHBondContact O-N 3.47Å; F204-N235 WeakPolarHBondContact O-CA 3.38Å; F204-F236 HydrophobicContact CB-CB 4.48Å; F204-F236 HydrophobicContact CB-CD1 3.6Å; F204-F236 HydrophobicContact CB-CD2 3.88Å; F204-F236 HydrophobicContact CB-CE1 3.66Å; F204-F236 HydrophobicContact CB-CE2 3.95Å; F204-F236 HydrophobicContact CB-CG 3.7Å; F204-F236 HydrophobicContact CB-CZ 3.83Å; F204-F236 HydrophobicContact CD1-CE1 4.49Å; F204-F236 HydrophobicContact CD2-CD1 4.44Å; F204-F236 AromaticContact CD2-CE1 3.68Å; F204-F236 HydrophobicContact CD2-CE1 3.68Å; F204-F236 HydrophobicContact CD2-CE2 4.48Å; F204-F236 AromaticContact CD2-CZ 3.71Å; F204-F236 HydrophobicContact CD2-CZ 3.71Å; F204-F236 HydrophobicContact CE2-CE1 4.41Å; F204-F236 HydrophobicContact CG-CD1 4.02Å; F204-F236 AromaticContact CG-CE1 3.72Å; F204-F236 HydrophobicContact CG-CE1 3.72Å; F204-F236 HydrophobicContact CG-CZ 4.05Å
205	E	97.3	Very high	95.3	Very high	9 Å²	9	25.1 Å²	25.1	4%	0.042	14%	0.139	C	C	.	.			trans	-93.9	134.9	-178.9	-76.3	175.2	-177.5	0	0	111.3	H148 P199 E200 N203 H209 F210 K213 N235	H148-E205 PolarHBondContact NE2-O 2.85Å; P199-E205 WeakPolarHBondContact CA-O 3.38Å; E200-E205 HydrophobicContact CG-CB 4.13Å; E200-E205 WeakPolarHBondContact CG-O 3.29Å; E200-E205 PolarHBondContact N-O 3.41Å; N203-E205 VanDerWaalsContact C-N 3.34Å; N203-E205 HydrophobicContact CB-CG 3.91Å; E205-H209 HydrophobicContact CB-CB 3.69Å; E205-H209 HydrophobicContact CG-CB 3.9Å; E205-F210 HydrophobicContact CB-CD2 3.92Å; E205-F210 HydrophobicContact CB-CE2 3.59Å; E205-K213 IonicContact OE1-NZ 3.5Å; E205-K213 PolarHBondContact OE1-NZ 3.05Å; E205-K213 WeakPolarHBondContact OE2-CD 3.29Å; E205-K213 IonicContact OE2-NZ 2.93Å; E205-K213 PolarHBondContact OE2-NZ 2.91Å; E205-N235 HydrophobicContact CG-CB 4.08Å
206	T	97.5	Very high	95.2	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.025	15%	0.149	C	C	.	.			trans	-83.9	168.9	174.1	64.1	0	0	0	0	111.6	P199 L208 H209 F210 P233	P199-T206 HydrophobicContact CB-CG2 4.34Å; T206-L208 PolarHBondContact O-N 3.08Å; T206-L208 VanDerWaalsContact O-N 3.15Å; T206-H209 PolarHBondContact N-ND1 2.8Å; T206-H209 VanDerWaalsContact N-ND1 3.15Å; T206-H209 WeakPolarHBondContact O-CA 3.4Å; T206-H209 VanDerWaalsContact O-CB 3.27Å; T206-H209 WeakPolarHBondContact O-CB 3Å; T206-H209 PolarHBondContact O-N 3.19Å; T206-H209 PolarHBondContact OG1-N 2.97Å; T206-H209 PolarHBondContact OG1-ND1 2.95Å; T206-F210 WeakPolarHBondContact O-CD2 3.44Å; T206-F210 PolarHBondContact O-N 2.99Å; T206-F210 VanDerWaalsContact O-N 3.1Å; T206-P233 HydrophobicContact CG2-CB 4Å; T206-P233 HydrophobicContact CG2-CG 3.97Å
207	P	97.7	Very high	95.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-53.3	-34.9	172.1	-27.7	35.5	0	0	0	114	L147 H148 A151 Y195 L196 F210 A211 L223	L147-P207 HydrophobicContact CB-CB 3.94Å; L147-P207 HydrophobicContact CB-CG 3.8Å; H148-P207 WeakPolarHBondContact NE2-CD 3.22Å; A151-P207 HydrophobicContact CB-CB 4.34Å; A151-P207 WeakPolarHBondContact CB-O 3.43Å; Y195-P207 WeakPolarHBondContact O-CG 3.35Å; L196-P207 WeakPolarHBondContact O-CD 3.46Å; P207-F210 PolarHBondContact O-N 2.85Å; P207-A211 PolarHBondContact O-N 2.83Å; P207-L223 HydrophobicContact CB-CD1 4.27Å
208	L	97.7	Very high	95	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-66.3	-37.4	175.5	-176.5	60.2	0	0	0	112.3	T206 S212 V220 L223 T229 L231 P241 F274	T206-L208 PolarHBondContact O-N 3.08Å; T206-L208 VanDerWaalsContact O-N 3.15Å; L208-S212 WeakPolarHBondContact O-CB 3.31Å; L208-S212 PolarHBondContact O-N 2.9Å; L208-S212 PolarHBondContact O-OG 2.89Å; L208-V220 HydrophobicContact CD1-CG1 4.1Å; L208-L223 HydrophobicContact CD1-CB 3.9Å; L208-L223 HydrophobicContact CD1-CD1 4.49Å; L208-T229 HydrophobicContact CB-CG2 4.48Å; L208-T229 HydrophobicContact CD2-CG2 3.92Å; L208-L231 HydrophobicContact CD2-CD2 4.11Å; L208-P241 HydrophobicContact CB-CG 4.35Å; L208-P241 HydrophobicContact CD2-CB 4.29Å; L208-P241 HydrophobicContact CD2-CG 3.98Å; L208-P241 HydrophobicContact CG-CB 3.88Å; L208-P241 HydrophobicContact CG-CG 3.9Å; L208-F274 HydrophobicContact CD1-CZ 4.25Å; L208-F274 HydrophobicContact CD2-CE1 4.16Å; L208-F274 HydrophobicContact CD2-CZ 4.14Å; L208-F274 HydrophobicContact CG-CZ 4.44Å
209	H	97.9	Very high	95	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-45.1	170.8	-75.4	98.2	0	0	0	111.1	E205 T206 S212 K213 P233 H239 I244	E205-H209 HydrophobicContact CB-CB 3.69Å; E205-H209 HydrophobicContact CG-CB 3.9Å; T206-H209 PolarHBondContact N-ND1 2.8Å; T206-H209 VanDerWaalsContact N-ND1 3.15Å; T206-H209 WeakPolarHBondContact O-CA 3.4Å; T206-H209 VanDerWaalsContact O-CB 3.27Å; T206-H209 WeakPolarHBondContact O-CB 3Å; T206-H209 PolarHBondContact O-N 3.19Å; T206-H209 PolarHBondContact OG1-N 2.97Å; T206-H209 PolarHBondContact OG1-ND1 2.95Å; H209-S212 PolarHBondContact O-N 2.77Å; H209-K213 WeakPolarHBondContact O-CB 3.44Å; H209-K213 PolarHBondContact O-N 3.03Å; H209-P233 PolarHBondContact CE1-O 3.34Å; H209-P233 PolarHBondContact NE2-O 3.19Å; H209-P233 VanDerWaalsContact NE2-O 3.16Å; H209-H239 PolarHBondContact NE2-O 3Å; H209-I244 HydrophobicContact CB-CD1 3.89Å
210	F	96.9	Very high	95	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.018	16%	0.155	C	C	.	.	H	α-helix	trans	-60.6	-51.6	178.8	-84	-117.5	0	0	0	111.4	Y144 H148 A151 E200 E205 T206 P207 S212 K213 Y214	Y144-F210 HydrophobicContact CE1-CE1 4.2Å; Y144-F210 AromaticContact CE1-CZ 3.67Å; Y144-F210 HydrophobicContact CE1-CZ 3.67Å; Y144-F210 HydrophobicContact CE2-CE1 4.48Å; Y144-F210 AromaticContact CZ-CE1 3.95Å; Y144-F210 AromaticContact CZ-CZ 3.79Å; H148-F210 AromaticContact CD2-CE2 3.87Å; A151-F210 HydrophobicContact CB-CB 4Å; E200-F210 HydrophobicContact CG-CE2 3.66Å; E200-F210 HydrophobicContact CG-CZ 3.86Å; E205-F210 HydrophobicContact CB-CD2 3.92Å; E205-F210 HydrophobicContact CB-CE2 3.59Å; T206-F210 WeakPolarHBondContact O-CD2 3.44Å; T206-F210 PolarHBondContact O-N 2.99Å; T206-F210 VanDerWaalsContact O-N 3.1Å; P207-F210 PolarHBondContact O-N 2.85Å; F210-S212 VanDerWaalsContact C-N 3.26Å; F210-S212 PolarHBondContact O-N 3.05Å; F210-K213 PolarHBondContact O-N 2.99Å; F210-Y214 AromaticContact CD1-CE2 3.99Å; F210-Y214 HydrophobicContact CD1-CE2 3.99Å; F210-Y214 WeakPolarHBondContact O-CD2 3.48Å; F210-Y214 PolarHBondContact O-N 3.39Å; F210-Y214 VanDerWaalsContact O-N 3.08Å
211	A	97	Very high	95	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-56.1	-43.4	178.2	0	0	0	0	0	111.5	A151 P207 G215 H216 C219 V220 L223	A151-A211 HydrophobicContact CB-CB 4.2Å; P207-A211 PolarHBondContact O-N 2.83Å; A211-G215 PolarHBondContact O-N 2.99Å; A211-H216 PolarHBondContact O-N 3.49Å; A211-C219 HydrophobicContact CB-CB 3.85Å; A211-V220 HydrophobicContact CB-CG2 3.67Å; A211-L223 HydrophobicContact CB-CD1 4.11Å
212	S	96.7	Very high	95	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-69.1	-46.4	-179.9	-52.6	0	0	0	0	112.1	L208 H209 F210 Y214 G215 V220 P241 A245 A246	L208-S212 WeakPolarHBondContact O-CB 3.31Å; L208-S212 PolarHBondContact O-N 2.9Å; L208-S212 PolarHBondContact O-OG 2.89Å; H209-S212 PolarHBondContact O-N 2.77Å; F210-S212 VanDerWaalsContact C-N 3.26Å; F210-S212 PolarHBondContact O-N 3.05Å; S212-Y214 VanDerWaalsContact C-N 3.32Å; S212-Y214 PolarHBondContact O-N 2.9Å; S212-G215 PolarHBondContact O-N 3.17Å; S212-V220 WeakPolarHBondContact OG-CG2 3.35Å; S212-P241 WeakPolarHBondContact CB-O 3.19Å; S212-A245 CarbonylContact O-C 3.55Å; S212-A245 WeakPolarHBondContact O-CA 3.42Å; S212-A246 PolarHBondContact O-N 3.34Å
213	K	94.7	Very high	95.2	Very high	16 Å²	16	25.2 Å²	25.2	7%	0.07	12%	0.121	C	C	.	.	H	α-helix	trans	-57.6	-39.9	-179.8	178.5	176	-178.5	167	0	113.6	E205 H209 F210 I244 A246 T247 R248	E205-K213 IonicContact OE1-NZ 3.5Å; E205-K213 PolarHBondContact OE1-NZ 3.05Å; E205-K213 WeakPolarHBondContact OE2-CD 3.29Å; E205-K213 IonicContact OE2-NZ 2.93Å; E205-K213 PolarHBondContact OE2-NZ 2.91Å; H209-K213 WeakPolarHBondContact O-CB 3.44Å; H209-K213 PolarHBondContact O-N 3.03Å; F210-K213 PolarHBondContact O-N 2.99Å; K213-I244 WeakPolarHBondContact CA-O 3.3Å; K213-I244 HydrophobicContact CB-CD1 3.87Å; K213-I244 HydrophobicContact CB-CG1 4.28Å; K213-I244 HydrophobicContact CD-CD1 4.25Å; K213-I244 HydrophobicContact CG-CD1 4.39Å; K213-A246 CarbonylContact O-C 3.49Å; K213-T247 PolarHBondContact O-N 2.94Å; K213-R248 HydrophobicContact CD-CG 4.14Å; K213-R248 HydrophobicContact CG-CB 4.29Å; K213-R248 HydrophobicContact CG-CG 3.53Å; K213-R248 PolarHBondContact O-N 2.78Å; K213-R248 VanDerWaalsContact O-N 3.1Å
214	Y	94.2	Very high	95.2	Very high	78 Å²	78	21.8 Å²	21.8	31%	0.306	10%	0.104	S	C	.	.	H	α-helix	trans	-89.4	-3.2	177.7	-68.1	-72.6	0	0	0	113.6	F210 S212 H216 R248	F210-Y214 AromaticContact CD1-CE2 3.99Å; F210-Y214 HydrophobicContact CD1-CE2 3.99Å; F210-Y214 WeakPolarHBondContact O-CD2 3.48Å; F210-Y214 PolarHBondContact O-N 3.39Å; F210-Y214 VanDerWaalsContact O-N 3.08Å; S212-Y214 VanDerWaalsContact C-N 3.32Å; S212-Y214 PolarHBondContact O-N 2.9Å; Y214-H216 VanDerWaalsContact CB-CD2 3.46Å; Y214-H216 WeakPolarHBondContact CB-CD2 3.25Å; Y214-H216 WeakPolarHBondContact CB-NE2 3.5Å; Y214-R248 HydrophobicContact CD1-CB 3.92Å; Y214-R248 HydrophobicContact CD1-CG 4.43Å; Y214-R248 HydrophobicContact CE1-CB 4.02Å; Y214-R248 HydrophobicContact CE1-CG 4.14Å
215	G	93	Very high	94.8	Very high	10 Å²	10	20.7 Å²	20.7	10%	0.103	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	21.2	174.9	0	0	0	0	0	114.8	A211 S212 I217 I266	A211-G215 PolarHBondContact O-N 2.99Å; S212-G215 PolarHBondContact O-N 3.17Å; G215-I217 PolarHBondContact O-N 3.36Å; G215-I217 VanDerWaalsContact O-N 3.07Å; G215-I266 WeakPolarHBondContact O-CG2 3.37Å
216	H	94.8	Very high	94.3	Very high	50 Å²	50	20.3 Å²	20.3	23%	0.231	10%	0.096	C	C	.	.			trans	-82.5	84.2	-177.4	-61.7	-53.6	0	0	0	111	A151 S152 G154 A211 Y214 E218 C219 V220	A151-H216 PolarHBondContact O-CD2 3.17Å; S152-H216 PolarHBondContact O-NE2 2.69Å; S152-H216 VanDerWaalsContact O-NE2 3.14Å; G154-H216 VanDerWaalsContact CA-CD2 3.45Å; G154-H216 WeakPolarHBondContact CA-CD2 3.31Å; G154-H216 WeakPolarHBondContact CA-ND1 3.33Å; G154-H216 PolarHBondContact N-CD2 3.26Å; G154-H216 PolarHBondContact N-NE2 3.08Å; A211-H216 PolarHBondContact O-N 3.49Å; Y214-H216 VanDerWaalsContact CB-CD2 3.46Å; Y214-H216 WeakPolarHBondContact CB-CD2 3.25Å; Y214-H216 WeakPolarHBondContact CB-NE2 3.5Å; H216-E218 PolarHBondContact O-N 3.29Å; H216-C219 HydrophobicContact CB-CB 3.94Å; H216-C219 PolarHBondContact O-N 2.98Å; H216-V220 WeakPolarHBondContact O-CG2 3.3Å; H216-V220 PolarHBondContact O-N 3.38Å
217	I	93.6	Very high	93.6	Very high	37 Å²	37	21.6 Å²	21.6	19%	0.19	10%	0.104	C	C	.	.	H	α-helix	trans	-53.2	-49.8	-171.2	-64	166.6	0	0	0	111.7	G215 C219 V220 S221 I266 R269 I270 I273	G215-I217 PolarHBondContact O-N 3.36Å; G215-I217 VanDerWaalsContact O-N 3.07Å; I217-C219 PolarHBondContact O-N 2.81Å; I217-V220 WeakPolarHBondContact O-CB 3.49Å; I217-V220 PolarHBondContact O-N 3.17Å; I217-S221 VanDerWaalsContact O-CB 3.3Å; I217-S221 WeakPolarHBondContact O-CB 3.44Å; I217-S221 PolarHBondContact O-N 2.96Å; I217-I266 HydrophobicContact CD1-CG1 4.28Å; I217-I266 HydrophobicContact CD1-CG2 4.23Å; I217-I266 HydrophobicContact CG1-CG2 4.11Å; I217-R269 HydrophobicContact CD1-CB 3.99Å; I217-R269 HydrophobicContact CD1-CG 3.94Å; I217-R269 HydrophobicContact CG1-CB 4.45Å; I217-R269 HydrophobicContact CG1-CG 4.4Å; I217-R269 HydrophobicContact CG2-CG 3.77Å; I217-I270 HydrophobicContact CG1-CG1 4.36Å; I217-I273 HydrophobicContact CG2-CD1 3.74Å
218	E	93.3	Very high	93.2	Very high	115 Å²	115	22.7 Å²	22.7	54%	0.537	11%	0.11	S	C	.	.	H	α-helix	trans	-66.8	-37.5	-176.2	-66.2	73.9	-161.4	0	0	111.8	V156 H216 S221 M222	V156-E218 HydrophobicContact CB-CB 4.44Å; V156-E218 HydrophobicContact CG1-CB 4.13Å; V156-E218 HydrophobicContact CG2-CB 3.42Å; V156-E218 VanDerWaalsContact CG2-CB 3.42Å; V156-E218 HydrophobicContact CG2-CG 4.32Å; H216-E218 PolarHBondContact O-N 3.29Å; E218-S221 WeakPolarHBondContact O-CB 3.36Å; E218-S221 PolarHBondContact O-N 3.14Å; E218-M222 PolarHBondContact O-N 2.84Å
219	C	95.2	Very high	92.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.7	-44	174	-70.9	0	0	0	0	111.7	G154 L159 A211 H216 I217 S221 M222 L223	G154-C219 VanDerWaalsContact C-SG 3.6Å; L159-C219 HydrophobicContact CD2-CB 3.77Å; A211-C219 HydrophobicContact CB-CB 3.85Å; H216-C219 HydrophobicContact CB-CB 3.94Å; H216-C219 PolarHBondContact O-N 2.98Å; I217-C219 PolarHBondContact O-N 2.81Å; C219-S221 VanDerWaalsContact C-N 3.31Å; C219-S221 PolarHBondContact O-N 3.47Å; C219-M222 PolarHBondContact O-N 2.81Å; C219-L223 WeakPolarHBondContact O-CB 3.26Å; C219-L223 WeakPolarHBondContact O-CG 3.46Å; C219-L223 PolarHBondContact O-N 3.09Å
220	V	95.9	Very high	92.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57.9	-48.5	173.5	173	0	0	0	0	109.8	L208 A211 S212 H216 I217 M222 L223 A224 I270 I273 F274	L208-V220 HydrophobicContact CD1-CG1 4.1Å; A211-V220 HydrophobicContact CB-CG2 3.67Å; S212-V220 WeakPolarHBondContact OG-CG2 3.35Å; H216-V220 WeakPolarHBondContact O-CG2 3.3Å; H216-V220 PolarHBondContact O-N 3.38Å; I217-V220 WeakPolarHBondContact O-CB 3.49Å; I217-V220 PolarHBondContact O-N 3.17Å; V220-M222 VanDerWaalsContact C-N 3.32Å; V220-M222 PolarHBondContact O-N 3.09Å; V220-L223 PolarHBondContact O-N 3.24Å; V220-A224 WeakPolarHBondContact O-CB 3.49Å; V220-A224 PolarHBondContact O-N 2.93Å; V220-I270 HydrophobicContact CG1-CG2 4.3Å; V220-I270 HydrophobicContact CG2-CD1 4.48Å; V220-I270 HydrophobicContact CG2-CG1 4.44Å; V220-I273 HydrophobicContact CG1-CD1 4.43Å; V220-I273 HydrophobicContact CG1-CG2 4.45Å; V220-F274 HydrophobicContact CG1-CE2 3.74Å; V220-F274 HydrophobicContact CG1-CZ 4.09Å
221	S	92.5	Very high	92.5	Very high	13 Å²	13	29.1 Å²	29.1	9%	0.091	14%	0.14	C	C	.	.	H	α-helix	trans	-56.9	-44.1	-179.4	-149.2	0	0	0	0	112.3	I217 E218 C219 R225	I217-S221 VanDerWaalsContact O-CB 3.3Å; I217-S221 WeakPolarHBondContact O-CB 3.44Å; I217-S221 PolarHBondContact O-N 2.96Å; E218-S221 WeakPolarHBondContact O-CB 3.36Å; E218-S221 PolarHBondContact O-N 3.14Å; C219-S221 VanDerWaalsContact C-N 3.31Å; C219-S221 PolarHBondContact O-N 3.47Å; S221-R225 WeakPolarHBondContact O-CB 3.39Å; S221-R225 WeakPolarHBondContact O-CD 3.34Å; S221-R225 WeakPolarHBondContact O-CG 3.4Å; S221-R225 PolarHBondContact O-N 3.39Å; S221-R225 PolarHBondContact OG-NH1 2.91Å; S221-R225 PolarHBondContact OG-NH2 3.36Å
222	M	91.3	Very high	92.3	Very high	21 Å²	21	34.7 Å²	34.7	10%	0.103	17%	0.17	C	C	.	.	H	α-helix	trans	-72.8	-40.8	179	-171.1	159.7	53.4	0	0	113	V156 L159 Q160 L163 E218 C219 V220 H226	V156-M222 HydrophobicContact CG1-CE 3.92Å; V156-M222 WeakPolarHBondContact O-CE 3.32Å; L159-M222 HydrophobicContact CB-CE 3.44Å; L159-M222 VanDerWaalsContact CB-CE 3.44Å; L159-M222 HydrophobicContact CD2-CE 3.39Å; L159-M222 HydrophobicContact CG-CE 3.41Å; L159-M222 VanDerWaalsContact CG-CE 3.41Å; Q160-M222 HydrophobicContact CB-CE 3.95Å; Q160-M222 HydrophobicContact CB-SD 3.72Å; Q160-M222 HydrophobicContact CG-SD 4.05Å; L163-M222 HydrophobicContact CD1-CG 4.19Å; E218-M222 PolarHBondContact O-N 2.84Å; C219-M222 PolarHBondContact O-N 2.81Å; V220-M222 VanDerWaalsContact C-N 3.32Å; V220-M222 PolarHBondContact O-N 3.09Å; M222-H226 PolarHBondContact O-N 2.95Å
223	L	94.1	Very high	92.1	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-68.9	-40.5	178.2	-72.4	171.2	0	0	0	112.6	L159 L163 L196 P207 L208 A211 C219 V220 R225 H226 T229	L159-L223 HydrophobicContact CD1-CD2 4.35Å; L159-L223 HydrophobicContact CD2-CD1 4.44Å; L159-L223 HydrophobicContact CD2-CG 4.12Å; L163-L223 HydrophobicContact CD1-CD2 4.49Å; L196-L223 HydrophobicContact CD2-CD2 3.67Å; P207-L223 HydrophobicContact CB-CD1 4.27Å; L208-L223 HydrophobicContact CD1-CB 3.9Å; L208-L223 HydrophobicContact CD1-CD1 4.49Å; A211-L223 HydrophobicContact CB-CD1 4.11Å; C219-L223 WeakPolarHBondContact O-CB 3.26Å; C219-L223 WeakPolarHBondContact O-CG 3.46Å; C219-L223 PolarHBondContact O-N 3.09Å; V220-L223 PolarHBondContact O-N 3.24Å; L223-R225 VanDerWaalsContact C-N 3.33Å; L223-H226 PolarHBondContact O-N 3.37Å; L223-T229 WeakPolarHBondContact O-CB 3.2Å; L223-T229 WeakPolarHBondContact O-CG2 3.24Å; L223-T229 PolarHBondContact O-OG1 2.86Å
224	A	92.2	Very high	92.2	Very high	8 Å²	8	43.5 Å²	43.5	7%	0.066	21%	0.206	C	C	.	.	H	α-helix	trans	-66.7	-36.1	-178.6	0	0	0	0	0	112.1	V220 H226 L231 I273 F274 R303	V220-A224 WeakPolarHBondContact O-CB 3.49Å; V220-A224 PolarHBondContact O-N 2.93Å; A224-H226 VanDerWaalsContact C-N 3.32Å; A224-H226 PolarHBondContact O-N 3.22Å; A224-L231 HydrophobicContact CB-CD2 3.81Å; A224-I273 HydrophobicContact CB-CG2 4.22Å; A224-F274 HydrophobicContact CB-CE1 4.44Å; A224-R303 PolarHBondContact O-NE 3.32Å; A224-R303 VanDerWaalsContact O-NE 3.15Å; A224-R303 PolarHBondContact O-NH2 2.91Å
225	R	86.9	Confident	92.2	Very high	67 Å²	67	40.5 Å²	40.5	25%	0.253	20%	0.195	S	C	.	.	H	α-helix	trans	-62.8	-35.9	174.5	-80.7	175.6	-172.3	121.7	12.7	112.8	S221 L223 E276 T302 Q306	S221-R225 WeakPolarHBondContact O-CB 3.39Å; S221-R225 WeakPolarHBondContact O-CD 3.34Å; S221-R225 WeakPolarHBondContact O-CG 3.4Å; S221-R225 PolarHBondContact O-N 3.39Å; S221-R225 PolarHBondContact OG-NH1 2.91Å; S221-R225 PolarHBondContact OG-NH2 3.36Å; L223-R225 VanDerWaalsContact C-N 3.33Å; R225-E276 IonicContact NH2-OE2 3.15Å; R225-E276 PolarHBondContact NH2-OE2 3.04Å; R225-T302 HydrophobicContact CG-CG2 3.64Å; R225-Q306 VanDerWaalsContact CG-NE2 3.35Å; R225-Q306 PolarHBondContact O-OE1 3.07Å
226	H	87.2	Confident	92.4	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	22%	0.219	C	C	.	.	S	Bend	trans	-60	127.5	-176.2	-166	-72.3	0	0	0	111.7	L192 L196 M222 L223 A224 L228 T229 R303 H325	L192-H226 VanDerWaalsContact CD2-CE1 3.47Å; L192-H226 WeakPolarHBondContact CD2-CE1 3.43Å; L192-H226 WeakPolarHBondContact CD2-NE2 3.42Å; L196-H226 HydrophobicContact CD1-CB 4.42Å; L196-H226 VanDerWaalsContact CD1-CE1 3.48Å; L196-H226 WeakPolarHBondContact CD1-CE1 3.37Å; L196-H226 WeakPolarHBondContact CD1-ND1 3.35Å; M222-H226 PolarHBondContact O-N 2.95Å; L223-H226 PolarHBondContact O-N 3.37Å; A224-H226 VanDerWaalsContact C-N 3.32Å; A224-H226 PolarHBondContact O-N 3.22Å; H226-L228 VanDerWaalsContact C-N 3.32Å; H226-L228 PolarHBondContact ND1-N 3.18Å; H226-L228 PolarHBondContact O-N 3.06Å; H226-T229 PolarHBondContact O-N 3.36Å; H226-T229 VanDerWaalsContact O-N 3.11Å; H226-R303 PolarHBondContact O-NH2 3.49Å; H226-H325 AromaticContact CD2-CD2 3.66Å; H226-H325 AromaticContact CD2-CG 3.49Å; H226-H325 VanDerWaalsContact CD2-CG 3.49Å; H226-H325 AromaticContact NE2-CG 3.86Å
227	P	83.5	Confident	92.3	Very high	30 Å²	30	47.4 Å²	47.4	20%	0.195	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-34.8	-170	22.8	-34.3	0	0	0	113.5	H325 V326 L339	P227-H325 HydrophobicContact CG-CB 4.47Å; P227-V326 HydrophobicContact CB-CG2 4.3Å; P227-V326 HydrophobicContact CG-CG2 4.05Å; P227-L339 HydrophobicContact CB-CD2 4.39Å
228	L	88.6	Confident	92.4	Very high	23 Å²	23	47.1 Å²	47.1	12%	0.12	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-17.5	178.8	-61.6	-178.2	0	0	0	114.2	L192 D193 L196 N197 H226	L192-L228 HydrophobicContact CB-CD1 4.02Å; L192-L228 HydrophobicContact CD2-CD1 4.02Å; L192-L228 HydrophobicContact CG-CD1 3.98Å; D193-L228 HydrophobicContact CB-CD1 4.45Å; L196-L228 HydrophobicContact CD1-CB 3.98Å; N197-L228 PolarHBondContact ND2-O 3.35Å; H226-L228 VanDerWaalsContact C-N 3.32Å; H226-L228 PolarHBondContact ND1-N 3.18Å; H226-L228 PolarHBondContact O-N 3.06Å
229	T	92	Very high	92.6	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.018	23%	0.234	C	C	.	.			trans	-66.8	140.2	-175.3	-62.8	0	0	0	0	110	L196 L208 L223 H226 R303	L196-T229 WeakPolarHBondContact CD2-OG1 3.4Å; L208-T229 HydrophobicContact CB-CG2 4.48Å; L208-T229 HydrophobicContact CD2-CG2 3.92Å; L223-T229 WeakPolarHBondContact O-CB 3.2Å; L223-T229 WeakPolarHBondContact O-CG2 3.24Å; L223-T229 PolarHBondContact O-OG1 2.86Å; H226-T229 PolarHBondContact O-N 3.36Å; H226-T229 VanDerWaalsContact O-N 3.11Å; T229-R303 PolarHBondContact O-NH1 2.77Å; T229-R303 PolarHBondContact O-NH2 3.39Å
230	K	92.6	Very high	92.7	Very high	89 Å²	89	46.7 Å²	46.7	39%	0.387	24%	0.239	S	C	.	.			trans	-86	128.3	168.8	-65.6	171.1	-172.3	170.8	0	108.2	N197 P233	N197-K230 HydrophobicContact CB-CD 4.25Å; N197-K230 PolarHBondContact OD1-N 2.9Å; K230-P233 HydrophobicContact CB-CG 4.46Å; K230-P233 VanDerWaalsContact O-CD 3.23Å; K230-P233 WeakPolarHBondContact O-CD 3.47Å
231	L	92.2	Very high	92.7	Very high	49 Å²	49	46.7 Å²	46.7	26%	0.257	24%	0.239	S	C	.	.	S	Bend	trans	-87.6	-30.8	-175.4	-64.4	-178.8	0	0	0	113.4	L208 A224 P233 P241 F274 R303	L208-L231 HydrophobicContact CD2-CD2 4.11Å; A224-L231 HydrophobicContact CB-CD2 3.81Å; L231-P233 WeakPolarHBondContact O-CD 3.4Å; L231-P241 WeakPolarHBondContact O-CD 3.29Å; L231-F274 HydrophobicContact CB-CD1 4.25Å; L231-F274 HydrophobicContact CB-CE1 4.05Å; L231-F274 HydrophobicContact CD1-CD1 4.33Å; L231-F274 HydrophobicContact CD2-CD1 4.16Å; L231-F274 HydrophobicContact CD2-CE1 3.77Å; L231-F274 HydrophobicContact CG-CD1 4.47Å; L231-F274 HydrophobicContact CG-CE1 4.37Å; L231-R303 VanDerWaalsContact CG-NH2 3.31Å
232	D	92.7	Very high	92.8	Very high	118 Å²	118	47.8 Å²	47.8	63%	0.631	25%	0.246	S	C	*	.	S	Bend	trans	-112.7	34.8	-178	65	-27	0	0	0	114.4	R234 T240	D232-R234 PolarHBondContact O-N 3.12Å; D232-T240 HydrophobicContact CB-CG2 4.38Å
233	P	93.9	Very high	92.9	Very high	23 Å²	23	51.5 Å²	51.5	15%	0.149	27%	0.266	C	S	.	.			trans	-62.2	139.3	173.6	26.8	-29.6	0	0	0	108.7	T206 H209 K230 L231 T240 P241	T206-P233 HydrophobicContact CG2-CB 4Å; T206-P233 HydrophobicContact CG2-CG 3.97Å; H209-P233 PolarHBondContact CE1-O 3.34Å; H209-P233 PolarHBondContact NE2-O 3.19Å; H209-P233 VanDerWaalsContact NE2-O 3.16Å; K230-P233 HydrophobicContact CB-CG 4.46Å; K230-P233 VanDerWaalsContact O-CD 3.23Å; K230-P233 WeakPolarHBondContact O-CD 3.47Å; L231-P233 WeakPolarHBondContact O-CD 3.4Å; P233-T240 WeakPolarHBondContact O-CA 3.49Å; P233-P241 HydrophobicContact CG-CG 4.02Å
234	R	96.4	Very high	92.9	Very high	178 Å²	178	51.9 Å²	51.9	67%	0.672	27%	0.268	S	S	*	.			trans	-101.1	127.5	177.4	-63.4	-175.7	-176.7	-139	1.5	109.9	D232 H239 T240	D232-R234 PolarHBondContact O-N 3.12Å; R234-H239 WeakPolarHBondContact CA-O 3.1Å; R234-T240 HydrophobicContact CG-CG2 4.37Å
235	N	95.1	Very high	93	Very high	14 Å²	14	51.8 Å²	51.8	8%	0.075	27%	0.267	C	S	.	.			trans	-77.1	-177.3	173.6	79.5	-3.2	0	0	0	111.1	N203 F204 E205 A237 G238 H239	N203-N235 VanDerWaalsContact O-CB 3.31Å; N203-N235 WeakPolarHBondContact O-CB 3.25Å; F204-N235 WeakPolarHBondContact O-CA 3.38Å; E205-N235 HydrophobicContact CG-CB 4.08Å; N235-A237 PolarHBondContact O-N 3.01Å; N235-A237 WeakPolarHBondContact OD1-CA 3.42Å; N235-A237 WeakPolarHBondContact OD1-CB 3.41Å; N235-A237 PolarHBondContact OD1-N 3.29Å; N235-G238 WeakPolarHBondContact O-CA 3.45Å; N235-G238 PolarHBondContact O-N 2.87Å; N235-G238 PolarHBondContact OD1-N 3.25Å; N235-H239 PolarHBondContact N-O 3.45Å; N235-H239 PolarHBondContact OD1-N 3.1Å; N235-H239 PolarHBondContact OD1-O 3.48Å
236	F	95.3	Very high	93.2	Very high	139 Å²	139	48.6 Å²	48.6	61%	0.61	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-26.1	179.8	-74.3	-32.7	0	0	0	114.3	G202 N203 F204 G238	G202-F236 VanDerWaalsContact O-CD2 3.27Å; G202-F236 WeakPolarHBondContact O-CD2 3.33Å; G202-F236 VanDerWaalsContact O-CE2 3.31Å; G202-F236 WeakPolarHBondContact O-CE2 3.5Å; N203-F236 PolarHBondContact O-N 3.05Å; F204-F236 HydrophobicContact CB-CB 4.48Å; F204-F236 HydrophobicContact CB-CD1 3.6Å; F204-F236 HydrophobicContact CB-CD2 3.88Å; F204-F236 HydrophobicContact CB-CE1 3.66Å; F204-F236 HydrophobicContact CB-CE2 3.95Å; F204-F236 HydrophobicContact CB-CG 3.7Å; F204-F236 HydrophobicContact CB-CZ 3.83Å; F204-F236 HydrophobicContact CD1-CE1 4.49Å; F204-F236 HydrophobicContact CD2-CD1 4.44Å; F204-F236 AromaticContact CD2-CE1 3.68Å; F204-F236 HydrophobicContact CD2-CE1 3.68Å; F204-F236 HydrophobicContact CD2-CE2 4.48Å; F204-F236 AromaticContact CD2-CZ 3.71Å; F204-F236 HydrophobicContact CD2-CZ 3.71Å; F204-F236 HydrophobicContact CE2-CE1 4.41Å; F204-F236 HydrophobicContact CG-CD1 4.02Å; F204-F236 AromaticContact CG-CE1 3.72Å; F204-F236 HydrophobicContact CG-CE1 3.72Å; F204-F236 HydrophobicContact CG-CZ 4.05Å; F236-G238 PolarHBondContact O-N 2.63Å
237	A	94.3	Very high	93.3	Very high	66 Å²	66	51.4 Å²	51.4	55%	0.545	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-1.7	173.8	0	0	0	0	0	112.9	N235 H239	N235-A237 PolarHBondContact O-N 3.01Å; N235-A237 WeakPolarHBondContact OD1-CA 3.42Å; N235-A237 WeakPolarHBondContact OD1-CB 3.41Å; N235-A237 PolarHBondContact OD1-N 3.29Å; A237-H239 VanDerWaalsContact C-N 3.27Å; A237-H239 PolarHBondContact O-N 2.76Å
238	G	95	Very high	93.5	Very high	32 Å²	32	55.7 Å²	55.7	33%	0.33	28%	0.284	S	S	.	.	S	Bend	trans	78.8	8	-176.9	0	0	0	0	0	114.2	N235 F236	N235-G238 WeakPolarHBondContact O-CA 3.45Å; N235-G238 PolarHBondContact O-N 2.87Å; N235-G238 PolarHBondContact OD1-N 3.25Å; F236-G238 PolarHBondContact O-N 2.63Å
239	H	97.3	Very high	93.2	Very high	89 Å²	89	56.2 Å²	56.2	41%	0.412	29%	0.287	S	S	.	.			trans	-86.9	145	-178.9	-59.4	153.8	0	0	0	111.5	H209 R234 N235 A237 D243 I244	H209-H239 PolarHBondContact NE2-O 3Å; R234-H239 WeakPolarHBondContact CA-O 3.1Å; N235-H239 PolarHBondContact N-O 3.45Å; N235-H239 PolarHBondContact OD1-N 3.1Å; N235-H239 PolarHBondContact OD1-O 3.48Å; A237-H239 VanDerWaalsContact C-N 3.27Å; A237-H239 PolarHBondContact O-N 2.76Å; H239-D243 HydrophobicContact CB-CB 3.95Å; H239-I244 HydrophobicContact CB-CG2 3.66Å
240	T	96.8	Very high	92.3	Very high	17 Å²	17	60.6 Å²	60.6	10%	0.104	31%	0.31	C	S	.	.			trans	-88.9	168.3	171.1	63.1	0	0	0	0	111.3	D232 P233 R234 T242 D243 I244	D232-T240 HydrophobicContact CB-CG2 4.38Å; P233-T240 WeakPolarHBondContact O-CA 3.49Å; R234-T240 HydrophobicContact CG-CG2 4.37Å; T240-T242 PolarHBondContact O-N 3.5Å; T240-T242 PolarHBondContact OG1-OG1 3.46Å; T240-D243 WeakPolarHBondContact CB-OD2 3.43Å; T240-D243 PolarHBondContact N-OD2 2.82Å; T240-D243 PolarHBondContact O-N 2.87Å; T240-D243 VanDerWaalsContact O-N 3.08Å; T240-D243 PolarHBondContact OG1-N 3.38Å; T240-D243 PolarHBondContact OG1-OD1 2.94Å; T240-D243 PolarHBondContact OG1-OD2 2.66Å; T240-I244 PolarHBondContact O-N 3.48Å
241	P	96.2	Very high	91.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-35.6	174.5	-25.8	34.7	0	0	0	113.5	L208 S212 L231 P233 A245	L208-P241 HydrophobicContact CB-CG 4.35Å; L208-P241 HydrophobicContact CD2-CB 4.29Å; L208-P241 HydrophobicContact CD2-CG 3.98Å; L208-P241 HydrophobicContact CG-CB 3.88Å; L208-P241 HydrophobicContact CG-CG 3.9Å; S212-P241 WeakPolarHBondContact CB-O 3.19Å; L231-P241 WeakPolarHBondContact O-CD 3.29Å; P233-P241 HydrophobicContact CG-CG 4.02Å; P241-A245 PolarHBondContact O-N 3.08Å
242	T	94.5	Very high	89.6	Confident	36 Å²	36	64.2 Å²	64.2	22%	0.221	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-35.5	176.3	44.2	0	0	0	0	112.5	T240 I244 A245 L271 F274	T240-T242 PolarHBondContact O-N 3.5Å; T240-T242 PolarHBondContact OG1-OG1 3.46Å; T242-I244 VanDerWaalsContact C-N 3.33Å; T242-I244 PolarHBondContact O-N 3.36Å; T242-A245 WeakPolarHBondContact O-CB 3.21Å; T242-A245 PolarHBondContact O-N 2.87Å; T242-L271 HydrophobicContact CG2-CD2 4.11Å; T242-F274 HydrophobicContact CG2-CB 4.4Å; T242-F274 HydrophobicContact CG2-CD1 4.1Å; T242-F274 HydrophobicContact CG2-CD2 3.39Å; T242-F274 HydrophobicContact CG2-CE1 4.17Å; T242-F274 HydrophobicContact CG2-CE2 3.52Å; T242-F274 HydrophobicContact CG2-CG 3.72Å; T242-F274 HydrophobicContact CG2-CZ 3.91Å
243	D	95	Very high	87.8	Confident	98 Å²	98	63.7 Å²	63.7	52%	0.524	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-31.7	-180	-61.8	-35.1	0	0	0	112.5	H239 T240	H239-D243 HydrophobicContact CB-CB 3.95Å; T240-D243 WeakPolarHBondContact CB-OD2 3.43Å; T240-D243 PolarHBondContact N-OD2 2.82Å; T240-D243 PolarHBondContact O-N 2.87Å; T240-D243 VanDerWaalsContact O-N 3.08Å; T240-D243 PolarHBondContact OG1-N 3.38Å; T240-D243 PolarHBondContact OG1-OD1 2.94Å; T240-D243 PolarHBondContact OG1-OD2 2.66Å
244	I	94.1	Very high	85.9	Confident	10 Å²	10	73.1 Å²	73.1	5%	0.051	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	10.5	-180	67.7	171	0	0	0	114	H209 K213 H239 T240 T242 A246 T247	H209-I244 HydrophobicContact CB-CD1 3.89Å; K213-I244 WeakPolarHBondContact CA-O 3.3Å; K213-I244 HydrophobicContact CB-CD1 3.87Å; K213-I244 HydrophobicContact CB-CG1 4.28Å; K213-I244 HydrophobicContact CD-CD1 4.25Å; K213-I244 HydrophobicContact CG-CD1 4.39Å; H239-I244 HydrophobicContact CB-CG2 3.66Å; T240-I244 PolarHBondContact O-N 3.48Å; T242-I244 VanDerWaalsContact C-N 3.33Å; T242-I244 PolarHBondContact O-N 3.36Å; I244-A246 PolarHBondContact O-N 3.21Å; I244-T247 HydrophobicContact CB-CG2 4.32Å; I244-T247 WeakPolarHBondContact O-CB 3.45Å; I244-T247 VanDerWaalsContact O-CG2 3.24Å; I244-T247 WeakPolarHBondContact O-CG2 3.43Å; I244-T247 PolarHBondContact O-N 3.46Å; I244-T247 PolarHBondContact O-OG1 2.97Å
245	A	93.8	Very high	83.8	Confident	6 Å²	6	67.1 Å²	67.1	5%	0.05	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	128.9	-177.5	0	0	0	0	0	112.4	S212 P241 T242 T247 V267 I270	S212-A245 CarbonylContact O-C 3.55Å; S212-A245 WeakPolarHBondContact O-CA 3.42Å; P241-A245 PolarHBondContact O-N 3.08Å; T242-A245 WeakPolarHBondContact O-CB 3.21Å; T242-A245 PolarHBondContact O-N 2.87Å; A245-T247 PolarHBondContact O-N 3.21Å; A245-V267 HydrophobicContact CB-CG1 4.3Å; A245-V267 HydrophobicContact CB-CG2 4.3Å; A245-V267 WeakPolarHBondContact O-CG2 3.19Å; A245-I270 HydrophobicContact CB-CB 4.33Å; A245-I270 HydrophobicContact CB-CD1 4.12Å; A245-I270 HydrophobicContact CB-CG2 3.93Å
246	A	90.4	Very high	81.6	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	14.7	-179.9	0	0	0	0	0	116.5	S212 K213 I244 R248 L249 I250 I266 V267	S212-A246 PolarHBondContact O-N 3.34Å; K213-A246 CarbonylContact O-C 3.49Å; I244-A246 PolarHBondContact O-N 3.21Å; A246-R248 PolarHBondContact O-N 2.89Å; A246-L249 HydrophobicContact CB-CB 4.37Å; A246-L249 PolarHBondContact O-N 3.41Å; A246-I250 VanDerWaalsContact O-CG1 3.31Å; A246-I250 WeakPolarHBondContact O-CG1 3.48Å; A246-I250 PolarHBondContact O-N 3.46Å; A246-I266 HydrophobicContact CB-CG2 4.07Å; A246-V267 HydrophobicContact CB-CG2 3.69Å
247	T	90.3	Very high	79.6	Confident	60 Å²	60	76.4 Å²	76.4	37%	0.368	39%	0.391	S	S	.	.	H	α-helix	trans	-58.3	-34.1	-177.6	49.9	0	0	0	0	113.1	K213 I244 A245 S251	K213-T247 PolarHBondContact O-N 2.94Å; I244-T247 HydrophobicContact CB-CG2 4.32Å; I244-T247 WeakPolarHBondContact O-CB 3.45Å; I244-T247 VanDerWaalsContact O-CG2 3.24Å; I244-T247 WeakPolarHBondContact O-CG2 3.43Å; I244-T247 PolarHBondContact O-N 3.46Å; I244-T247 PolarHBondContact O-OG1 2.97Å; A245-T247 PolarHBondContact O-N 3.21Å; T247-S251 PolarHBondContact O-N 2.78Å
248	R	87.3	Confident	77.5	Confident	119 Å²	119	77.4 Å²	77.4	45%	0.449	39%	0.394	S	S	.	.	H	α-helix	trans	-78.6	-29.2	176.8	-70.1	-67	179.2	173.2	-0	113.3	K213 Y214 A246 S251 Q252	K213-R248 HydrophobicContact CD-CG 4.14Å; K213-R248 HydrophobicContact CG-CB 4.29Å; K213-R248 HydrophobicContact CG-CG 3.53Å; K213-R248 PolarHBondContact O-N 2.78Å; K213-R248 VanDerWaalsContact O-N 3.1Å; Y214-R248 HydrophobicContact CD1-CB 3.92Å; Y214-R248 HydrophobicContact CD1-CG 4.43Å; Y214-R248 HydrophobicContact CE1-CB 4.02Å; Y214-R248 HydrophobicContact CE1-CG 4.14Å; A246-R248 PolarHBondContact O-N 2.89Å; R248-S251 PolarHBondContact O-OG 2.9Å; R248-Q252 WeakPolarHBondContact O-CG 3.46Å; R248-Q252 PolarHBondContact O-N 3.38Å
249	L	81.9	Confident	75.8	Confident	34 Å²	34	81.9 Å²	81.9	18%	0.178	41%	0.411	C	S	.	.	H	α-helix	trans	-70.5	-44.3	174.7	-170	70.6	0	0	0	111	A246 S251 Q252 P263 I266	A246-L249 HydrophobicContact CB-CB 4.37Å; A246-L249 PolarHBondContact O-N 3.41Å; L249-S251 PolarHBondContact O-N 3.37Å; L249-Q252 PolarHBondContact O-N 2.9Å; L249-P263 HydrophobicContact CD2-CG 4.49Å; L249-I266 HydrophobicContact CD2-CD1 3.26Å
250	I	72.7	Confident	74.1	Confident	95 Å²	95	84.8 Å²	84.8	49%	0.487	43%	0.429	S	S	.	.	H	α-helix	trans	-57.9	-38.7	176.6	-63.1	163.5	0	0	0	110.9	A246 Q252 P263	A246-I250 VanDerWaalsContact O-CG1 3.31Å; A246-I250 WeakPolarHBondContact O-CG1 3.48Å; A246-I250 PolarHBondContact O-N 3.46Å; I250-Q252 VanDerWaalsContact C-N 3.33Å; I250-Q252 PolarHBondContact O-N 3.41Å; I250-P263 HydrophobicContact CB-CB 4.46Å; I250-P263 HydrophobicContact CD1-CB 4.28Å; I250-P263 HydrophobicContact CG1-CB 3.36Å; I250-P263 HydrophobicContact CG1-CG 4.13Å
251	S	67.7	Low	72.7	Confident	80 Å²	80	89.7 Å²	89.7	56%	0.559	45%	0.454	S	S	*	.	H	α-helix	trans	-71.4	-25	-177.4	71.8	0	0	0	0	114.5	T247 R248 L249	T247-S251 PolarHBondContact O-N 2.78Å; R248-S251 PolarHBondContact O-OG 2.9Å; L249-S251 PolarHBondContact O-N 3.37Å
252	Q	61.9	Low	71.8	Confident	135 Å²	135	91 Å²	91	63%	0.631	46%	0.463	S	S	*	.	H	α-helix	trans	-85.7	-17.6	-168.9	-79.5	178.4	1.2	0	0	113.5	R248 L249 I250	R248-Q252 WeakPolarHBondContact O-CG 3.46Å; R248-Q252 PolarHBondContact O-N 3.38Å; L249-Q252 PolarHBondContact O-N 2.9Å; I250-Q252 VanDerWaalsContact C-N 3.33Å; I250-Q252 PolarHBondContact O-N 3.41Å
253	E	53.7	Low	71.1	Confident	107 Å²	107	90.3 Å²	90.3	50%	0.5	46%	0.459	S	S	.	.			trans	-142.4	120.3	-149	-131.8	-173	-64.1	0	0	115.1	I255	E253-I255 HydrophobicContact CB-CD1 3.43Å; E253-I255 VanDerWaalsContact CB-CD1 3.43Å; E253-I255 HydrophobicContact CB-CG1 3.41Å; E253-I255 VanDerWaalsContact CB-CG1 3.41Å; E253-I255 HydrophobicContact CG-CD1 3.99Å; E253-I255 HydrophobicContact CG-CG1 3.42Å; E253-I255 VanDerWaalsContact CG-CG1 3.42Å; E253-I255 PolarHBondContact O-N 3.2Å; E253-I255 VanDerWaalsContact O-N 3.07Å; E253-I255 WeakPolarHBondContact OE2-CG1 3.42Å
254	K	53.5	Low	70.6	Confident	220 Å²	220	90 Å²	90	96%	0.957	46%	0.461	S	S	*	.			trans	-73.7	50.5	161.1	-68.2	174.7	175.5	174.5	0	110
255	I	54.1	Low	70.3	Confident	52 Å²	52	93.1 Å²	93.1	27%	0.267	48%	0.478	S	S	.	.			trans	-71.1	137.1	-175.4	-44.9	122.2	0	0	0	110.6	E253 R257 P263	E253-I255 HydrophobicContact CB-CD1 3.43Å; E253-I255 VanDerWaalsContact CB-CD1 3.43Å; E253-I255 HydrophobicContact CB-CG1 3.41Å; E253-I255 VanDerWaalsContact CB-CG1 3.41Å; E253-I255 HydrophobicContact CG-CD1 3.99Å; E253-I255 HydrophobicContact CG-CG1 3.42Å; E253-I255 VanDerWaalsContact CG-CG1 3.42Å; E253-I255 PolarHBondContact O-N 3.2Å; E253-I255 VanDerWaalsContact O-N 3.07Å; E253-I255 WeakPolarHBondContact OE2-CG1 3.42Å; I255-R257 PolarHBondContact O-N 3.49Å; I255-P263 HydrophobicContact CD1-CG 3.74Å
256	P	48.1	Very low	70.1	Confident	101 Å²	101	93.6 Å²	93.6	66%	0.656	48%	0.479	S	S	*	.			trans	-58.6	130.6	166.5	-17.3	29.7	0	0	0	111.2	S258	P256-S258 PolarHBondContact O-N 3.4Å
257	R	52.2	Low	70.2	Confident	247 Å²	247	95.1 Å²	95.1	93%	0.932	49%	0.489	S	S	*	.	S	Bend	trans	-66.7	18.7	-172.5	-70.3	-177.8	173.1	179.8	-2.9	116.2	I255	I255-R257 PolarHBondContact O-N 3.49Å
258	S	50.1	Low	70.3	Confident	87 Å²	87	96 Å²	96	61%	0.608	49%	0.491	S	S	*	.			trans	-133.1	65.1	-169.9	62.7	0	0	0	0	111.3	P256	P256-S258 PolarHBondContact O-N 3.4Å
259	D	59.9	Low	70.5	Confident	127 Å²	127	95.6 Å²	95.6	68%	0.679	49%	0.49	S	S	*	.	S	Bend	trans	-161.6	156.6	163.5	-89.1	-38.2	0	0	0	110.9	N261 C262	D259-N261 PolarHBondContact O-N 2.91Å; D259-C262 PolarHBondContact O-N 3.18Å
260	L	62.1	Low	71.1	Confident	150 Å²	150	94 Å²	94	79%	0.785	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45	-28.3	178.4	-163.2	71.3	0	0	0	113.1	C262 N265	L260-C262 VanDerWaalsContact C-N 3.31Å; L260-C262 PolarHBondContact O-N 3.11Å; L260-N265 WeakPolarHBondContact O-CB 3.41Å; L260-N265 PolarHBondContact O-ND2 3.1Å
261	N	66.8	Low	72.1	Confident	119 Å²	119	93.1 Å²	93.1	64%	0.636	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	12.9	-178.9	-63.1	-15.8	0	0	0	114.5	D259	D259-N261 PolarHBondContact O-N 2.91Å
262	C	77.4	Confident	73.3	Confident	28 Å²	28	92.6 Å²	92.6	19%	0.189	47%	0.466	C	S	.	.			trans	-60	138.6	174.2	87	0	0	0	0	109.7	D259 L260 T264 N265 I266	D259-C262 PolarHBondContact O-N 3.18Å; L260-C262 VanDerWaalsContact C-N 3.31Å; L260-C262 PolarHBondContact O-N 3.11Å; C262-T264 PolarHBondContact O-N 3.01Å; C262-T264 VanDerWaalsContact O-N 3.1Å; C262-N265 WeakPolarHBondContact O-CB 3.23Å; C262-N265 PolarHBondContact O-N 3.36Å; C262-N265 PolarHBondContact SG-N 3.14Å; C262-N265 VanDerWaalsContact SG-N 3.39Å; C262-N265 PolarHBondContact SG-ND2 3.32Å; C262-I266 PolarHBondContact O-N 3.25Å
263	P	79.5	Confident	74.7	Confident	21 Å²	21	86.5 Å²	86.5	14%	0.136	44%	0.438	C	S	.	.	H	α-helix	trans	-58.1	-33	-173.7	-27.6	34.2	0	0	0	113.5	L249 I250 I255 N265 I266 V267	L249-P263 HydrophobicContact CD2-CG 4.49Å; I250-P263 HydrophobicContact CB-CB 4.46Å; I250-P263 HydrophobicContact CD1-CB 4.28Å; I250-P263 HydrophobicContact CG1-CB 3.36Å; I250-P263 HydrophobicContact CG1-CG 4.13Å; I255-P263 HydrophobicContact CD1-CG 3.74Å; P263-N265 PolarHBondContact O-N 3.43Å; P263-I266 PolarHBondContact O-N 3.11Å; P263-V267 WeakPolarHBondContact O-CG2 3.43Å; P263-V267 PolarHBondContact O-N 2.7Å
264	T	85.4	Confident	76.5	Confident	93 Å²	93	84 Å²	84	57%	0.571	43%	0.425	S	S	*	.	H	α-helix	trans	-62.6	-40.8	175.6	-51.1	0	0	0	0	112.3	C262 I266 V267 N268	C262-T264 PolarHBondContact O-N 3.01Å; C262-T264 VanDerWaalsContact O-N 3.1Å; T264-I266 VanDerWaalsContact C-N 3.31Å; T264-I266 PolarHBondContact O-N 2.83Å; T264-V267 PolarHBondContact O-N 3.25Å; T264-N268 WeakPolarHBondContact O-CB 3.31Å; T264-N268 PolarHBondContact O-N 3.18Å; T264-N268 PolarHBondContact O-ND2 3.39Å
265	N	87.4	Confident	78.4	Confident	74 Å²	74	76.7 Å²	76.7	40%	0.396	40%	0.396	S	S	.	.	H	α-helix	trans	-65	-38.2	175.4	-72.7	-14.5	0	0	0	111.3	L260 C262 P263 N268 R269	L260-N265 WeakPolarHBondContact O-CB 3.41Å; L260-N265 PolarHBondContact O-ND2 3.1Å; C262-N265 WeakPolarHBondContact O-CB 3.23Å; C262-N265 PolarHBondContact O-N 3.36Å; C262-N265 PolarHBondContact SG-N 3.14Å; C262-N265 VanDerWaalsContact SG-N 3.39Å; C262-N265 PolarHBondContact SG-ND2 3.32Å; P263-N265 PolarHBondContact O-N 3.43Å; N265-N268 PolarHBondContact O-N 3.15Å; N265-R269 WeakPolarHBondContact O-CB 3.43Å; N265-R269 PolarHBondContact O-N 2.96Å
266	I	89.4	Confident	80.2	Confident	16 Å²	16	74.7 Å²	74.7	8%	0.082	39%	0.386	C	S	.	.	H	α-helix	trans	-65.9	-45.1	177.7	-65.1	167.8	0	0	0	110.6	G215 I217 A246 L249 C262 P263 T264 N268 R269 I270	G215-I266 WeakPolarHBondContact O-CG2 3.37Å; I217-I266 HydrophobicContact CD1-CG1 4.28Å; I217-I266 HydrophobicContact CD1-CG2 4.23Å; I217-I266 HydrophobicContact CG1-CG2 4.11Å; A246-I266 HydrophobicContact CB-CG2 4.07Å; L249-I266 HydrophobicContact CD2-CD1 3.26Å; C262-I266 PolarHBondContact O-N 3.25Å; P263-I266 PolarHBondContact O-N 3.11Å; T264-I266 VanDerWaalsContact C-N 3.31Å; T264-I266 PolarHBondContact O-N 2.83Å; I266-N268 VanDerWaalsContact C-N 3.35Å; I266-N268 PolarHBondContact O-N 3.47Å; I266-R269 PolarHBondContact O-N 3.49Å; I266-I270 HydrophobicContact CG2-CD1 4.08Å; I266-I270 WeakPolarHBondContact O-CG1 3.18Å; I266-I270 PolarHBondContact O-N 2.67Å
267	V	93	Very high	82.3	Confident	33 Å²	33	70.1 Å²	70.1	20%	0.2	36%	0.357	C	S	.	.	H	α-helix	trans	-56.8	-50.1	173	174	0	0	0	0	110.5	A245 A246 P263 T264 R269 I270 L271	A245-V267 HydrophobicContact CB-CG1 4.3Å; A245-V267 HydrophobicContact CB-CG2 4.3Å; A245-V267 WeakPolarHBondContact O-CG2 3.19Å; A246-V267 HydrophobicContact CB-CG2 3.69Å; P263-V267 WeakPolarHBondContact O-CG2 3.43Å; P263-V267 PolarHBondContact O-N 2.7Å; T264-V267 PolarHBondContact O-N 3.25Å; V267-R269 VanDerWaalsContact C-N 3.28Å; V267-R269 PolarHBondContact O-N 3.1Å; V267-I270 PolarHBondContact O-N 3.32Å; V267-L271 HydrophobicContact CG1-CD1 3.99Å; V267-L271 HydrophobicContact CG1-CG 4.35Å; V267-L271 WeakPolarHBondContact O-CG 3.3Å; V267-L271 PolarHBondContact O-N 3.45Å
268	N	92	Very high	84.3	Confident	77 Å²	77	59.2 Å²	59.2	41%	0.412	32%	0.316	S	S	.	.	H	α-helix	trans	-59.1	-40.3	178.8	-70.4	-21.8	0	0	0	111.7	T264 N265 I266 L271 Q272	T264-N268 WeakPolarHBondContact O-CB 3.31Å; T264-N268 PolarHBondContact O-N 3.18Å; T264-N268 PolarHBondContact O-ND2 3.39Å; N265-N268 PolarHBondContact O-N 3.15Å; I266-N268 VanDerWaalsContact C-N 3.35Å; I266-N268 PolarHBondContact O-N 3.47Å; N268-L271 PolarHBondContact O-N 3.24Å; N268-Q272 WeakPolarHBondContact O-CB 3.45Å; N268-Q272 WeakPolarHBondContact O-CG 3.45Å; N268-Q272 PolarHBondContact O-N 3.2Å
269	R	92.4	Very high	86.4	Confident	111 Å²	111	55 Å²	55	42%	0.419	29%	0.287	S	S	.	.	H	α-helix	trans	-69	-37.2	179.1	-166.2	60	177.9	147.6	7.5	112.3	I217 N265 I266 V267 Q272 I273	I217-R269 HydrophobicContact CD1-CB 3.99Å; I217-R269 HydrophobicContact CD1-CG 3.94Å; I217-R269 HydrophobicContact CG1-CB 4.45Å; I217-R269 HydrophobicContact CG1-CG 4.4Å; I217-R269 HydrophobicContact CG2-CG 3.77Å; N265-R269 WeakPolarHBondContact O-CB 3.43Å; N265-R269 PolarHBondContact O-N 2.96Å; I266-R269 PolarHBondContact O-N 3.49Å; V267-R269 VanDerWaalsContact C-N 3.28Å; V267-R269 PolarHBondContact O-N 3.1Å; R269-Q272 VanDerWaalsContact CD-OE1 3.26Å; R269-Q272 PolarHBondContact O-N 2.91Å; R269-I273 WeakPolarHBondContact O-CG1 3.29Å; R269-I273 PolarHBondContact O-N 3.42Å
270	I	93.6	Very high	88	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.3	-50.4	172.2	-72.8	171.2	0	0	0	109.9	I217 V220 A245 I266 V267 Q272 I273 F274	I217-I270 HydrophobicContact CG1-CG1 4.36Å; V220-I270 HydrophobicContact CG1-CG2 4.3Å; V220-I270 HydrophobicContact CG2-CD1 4.48Å; V220-I270 HydrophobicContact CG2-CG1 4.44Å; A245-I270 HydrophobicContact CB-CB 4.33Å; A245-I270 HydrophobicContact CB-CD1 4.12Å; A245-I270 HydrophobicContact CB-CG2 3.93Å; I266-I270 HydrophobicContact CG2-CD1 4.08Å; I266-I270 WeakPolarHBondContact O-CG1 3.18Å; I266-I270 PolarHBondContact O-N 2.67Å; V267-I270 PolarHBondContact O-N 3.32Å; I270-Q272 VanDerWaalsContact C-N 3.29Å; I270-Q272 PolarHBondContact O-N 3.26Å; I270-I273 WeakPolarHBondContact O-CB 3.49Å; I270-I273 PolarHBondContact O-N 3.22Å; I270-I273 VanDerWaalsContact O-N 3.12Å; I270-F274 HydrophobicContact CG2-CD2 4.42Å; I270-F274 HydrophobicContact CG2-CE2 3.95Å; I270-F274 VanDerWaalsContact O-CD2 3.23Å; I270-F274 WeakPolarHBondContact O-CD2 3.4Å
271	L	94	Very high	89.6	Confident	78 Å²	78	41.9 Å²	41.9	41%	0.408	22%	0.217	S	C	.	.	H	α-helix	trans	-59.3	-40.5	178.7	-66.9	174.7	0	0	0	112.3	T242 V267 N268 I273 F274 D275	T242-L271 HydrophobicContact CG2-CD2 4.11Å; V267-L271 HydrophobicContact CG1-CD1 3.99Å; V267-L271 HydrophobicContact CG1-CG 4.35Å; V267-L271 WeakPolarHBondContact O-CG 3.3Å; V267-L271 PolarHBondContact O-N 3.45Å; N268-L271 PolarHBondContact O-N 3.24Å; L271-I273 VanDerWaalsContact C-N 3.31Å; L271-I273 PolarHBondContact O-N 3.1Å; L271-F274 PolarHBondContact O-N 3.48Å; L271-D275 PolarHBondContact O-N 2.94Å
272	Q	92.5	Very high	90.7	Very high	68 Å²	68	36.2 Å²	36.2	32%	0.318	19%	0.187	S	C	.	.	H	α-helix	trans	-55.6	-44	175.1	-77.8	172.4	4	0	0	112.1	N268 R269 I270 F274 D275 E276 L368	N268-Q272 WeakPolarHBondContact O-CB 3.45Å; N268-Q272 WeakPolarHBondContact O-CG 3.45Å; N268-Q272 PolarHBondContact O-N 3.2Å; R269-Q272 VanDerWaalsContact CD-OE1 3.26Å; R269-Q272 PolarHBondContact O-N 2.91Å; I270-Q272 VanDerWaalsContact C-N 3.29Å; I270-Q272 PolarHBondContact O-N 3.26Å; Q272-F274 PolarHBondContact O-N 2.92Å; Q272-D275 CarbonylContact O-C 3.37Å; Q272-D275 PolarHBondContact O-N 2.91Å; Q272-E276 WeakPolarHBondContact O-CG 3.46Å; Q272-E276 PolarHBondContact O-N 2.97Å; Q272-L368 HydrophobicContact CB-CD2 4.42Å; Q272-L368 HydrophobicContact CG-CD2 3.96Å
273	I	92.5	Very high	91.3	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.041	18%	0.18	C	C	.	.	H	α-helix	trans	-56.2	-36.8	-179.7	-71.6	164.5	0	0	0	111.9	I217 V220 A224 R269 I270 L271	I217-I273 HydrophobicContact CG2-CD1 3.74Å; V220-I273 HydrophobicContact CG1-CD1 4.43Å; V220-I273 HydrophobicContact CG1-CG2 4.45Å; A224-I273 HydrophobicContact CB-CG2 4.22Å; R269-I273 WeakPolarHBondContact O-CG1 3.29Å; R269-I273 PolarHBondContact O-N 3.42Å; I270-I273 WeakPolarHBondContact O-CB 3.49Å; I270-I273 PolarHBondContact O-N 3.22Å; I270-I273 VanDerWaalsContact O-N 3.12Å; L271-I273 VanDerWaalsContact C-N 3.31Å; L271-I273 PolarHBondContact O-N 3.1Å
274	F	91.5	Very high	91.6	Very high	53 Å²	53	34.5 Å²	34.5	23%	0.232	17%	0.174	C	C	.	.	H	α-helix	trans	-78.6	-19.3	179.1	-68.7	-93.7	0	0	0	113.3	L208 V220 A224 L231 T242 I270 L271 Q272	L208-F274 HydrophobicContact CD1-CZ 4.25Å; L208-F274 HydrophobicContact CD2-CE1 4.16Å; L208-F274 HydrophobicContact CD2-CZ 4.14Å; L208-F274 HydrophobicContact CG-CZ 4.44Å; V220-F274 HydrophobicContact CG1-CE2 3.74Å; V220-F274 HydrophobicContact CG1-CZ 4.09Å; A224-F274 HydrophobicContact CB-CE1 4.44Å; L231-F274 HydrophobicContact CB-CD1 4.25Å; L231-F274 HydrophobicContact CB-CE1 4.05Å; L231-F274 HydrophobicContact CD1-CD1 4.33Å; L231-F274 HydrophobicContact CD2-CD1 4.16Å; L231-F274 HydrophobicContact CD2-CE1 3.77Å; L231-F274 HydrophobicContact CG-CD1 4.47Å; L231-F274 HydrophobicContact CG-CE1 4.37Å; T242-F274 HydrophobicContact CG2-CB 4.4Å; T242-F274 HydrophobicContact CG2-CD1 4.1Å; T242-F274 HydrophobicContact CG2-CD2 3.39Å; T242-F274 HydrophobicContact CG2-CE1 4.17Å; T242-F274 HydrophobicContact CG2-CE2 3.52Å; T242-F274 HydrophobicContact CG2-CG 3.72Å; T242-F274 HydrophobicContact CG2-CZ 3.91Å; I270-F274 HydrophobicContact CG2-CD2 4.42Å; I270-F274 HydrophobicContact CG2-CE2 3.95Å; I270-F274 VanDerWaalsContact O-CD2 3.23Å; I270-F274 WeakPolarHBondContact O-CD2 3.4Å; L271-F274 PolarHBondContact O-N 3.48Å; Q272-F274 PolarHBondContact O-N 2.92Å
275	D	92.3	Very high	91.5	Very high	67 Å²	67	33.2 Å²	33.2	36%	0.358	16%	0.162	S	C	.	.	H	α-helix	trans	-100.2	2.8	177	-165.1	52.3	0	0	0	113.1	L271 Q272 S277 L368 S369	L271-D275 PolarHBondContact O-N 2.94Å; Q272-D275 CarbonylContact O-C 3.37Å; Q272-D275 PolarHBondContact O-N 2.91Å; D275-S277 PolarHBondContact O-N 3.48Å; D275-S277 PolarHBondContact O-OG 3.22Å; D275-L368 HydrophobicContact CB-CD2 4.11Å; D275-L368 WeakPolarHBondContact OD2-CD2 3.33Å; D275-S369 PolarHBondContact O-N 3.15Å; D275-S369 VanDerWaalsContact O-N 3.16Å; D275-S369 WeakPolarHBondContact OD1-CB 3.36Å; D275-S369 PolarHBondContact OD2-N 3.03Å
276	E	92.1	Very high	90.9	Very high	10 Å²	10	32.5 Å²	32.5	5%	0.047	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	125.9	178.2	-74.9	-178.7	171.1	0	0	111	R225 Q272 T302 P366 M367	R225-E276 IonicContact NH2-OE2 3.15Å; R225-E276 PolarHBondContact NH2-OE2 3.04Å; Q272-E276 WeakPolarHBondContact O-CG 3.46Å; Q272-E276 PolarHBondContact O-N 2.97Å; E276-T302 VanDerWaalsContact CB-OG1 3.29Å; E276-T302 WeakPolarHBondContact CB-OG1 3.36Å; E276-T302 PolarHBondContact O-N 3.04Å; E276-T302 PolarHBondContact O-OG1 3.42Å; E276-P366 HydrophobicContact CB-CB 4.03Å; E276-P366 HydrophobicContact CG-CB 3.74Å; E276-M367 WeakPolarHBondContact CA-O 3.5Å
277	S	93.1	Very high	89.9	Confident	6 Å²	6	35.6 Å²	35.6	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	156.9	178.7	-62.4	0	0	0	0	110.9	D275 L300 M367 S369	D275-S277 PolarHBondContact O-N 3.48Å; D275-S277 PolarHBondContact O-OG 3.22Å; S277-L300 CarbonylContact C-O 3.37Å; S277-L300 VanDerWaalsContact CA-O 3.24Å; S277-L300 WeakPolarHBondContact CA-O 3.1Å; S277-M367 PolarHBondContact N-O 3.4Å; S277-M367 PolarHBondContact O-N 3.46Å; S277-M367 VanDerWaalsContact O-N 3.08Å; S277-S369 WeakPolarHBondContact OG-CA 3.43Å
278	Y	93.7	Very high	88.3	Confident	17 Å²	17	43 Å²	43	7%	0.067	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	140.4	-176.9	-68	-94.6	0	0	0	110.6	P299 L300 T302 F305 F363 S364 P366	Y278-P299 WeakPolarHBondContact O-CA 3.48Å; Y278-L300 PolarHBondContact N-O 2.78Å; Y278-L300 PolarHBondContact O-N 2.89Å; Y278-T302 HydrophobicContact CE2-CG2 4.41Å; Y278-F305 AromaticContact CD1-CD1 3.9Å; Y278-F305 HydrophobicContact CD1-CD1 3.9Å; Y278-F305 HydrophobicContact CD1-CD2 4.32Å; Y278-F305 AromaticContact CD1-CE1 3.84Å; Y278-F305 HydrophobicContact CD1-CE1 3.84Å; Y278-F305 HydrophobicContact CD1-CE2 4.28Å; Y278-F305 HydrophobicContact CD1-CG 4.14Å; Y278-F305 HydrophobicContact CD1-CZ 4.05Å; Y278-F305 HydrophobicContact CD2-CB 3.77Å; Y278-F305 AromaticContact CD2-CD1 3.67Å; Y278-F305 HydrophobicContact CD2-CD1 3.67Å; Y278-F305 HydrophobicContact CD2-CD2 4.48Å; Y278-F305 HydrophobicContact CD2-CE1 4.42Å; Y278-F305 AromaticContact CD2-CG 3.7Å; Y278-F305 HydrophobicContact CD2-CG 3.7Å; Y278-F305 AromaticContact CE1-CD1 3.98Å; Y278-F305 HydrophobicContact CE1-CD1 3.98Å; Y278-F305 AromaticContact CE1-CE1 3.78Å; Y278-F305 HydrophobicContact CE1-CE1 3.78Å; Y278-F305 HydrophobicContact CE1-CZ 4.31Å; Y278-F305 HydrophobicContact CE2-CB 4.47Å; Y278-F305 AromaticContact CE2-CD1 3.76Å; Y278-F305 HydrophobicContact CE2-CD1 3.76Å; Y278-F305 HydrophobicContact CE2-CE1 4.37Å; Y278-F305 HydrophobicContact CE2-CG 4.27Å; Y278-F305 HydrophobicContact CG-CB 4.07Å; Y278-F305 AromaticContact CG-CD1 3.74Å; Y278-F305 HydrophobicContact CG-CD1 3.74Å; Y278-F305 AromaticContact CG-CD2 3.97Å; Y278-F305 HydrophobicContact CG-CD2 3.97Å; Y278-F305 HydrophobicContact CG-CE1 4.16Å; Y278-F305 HydrophobicContact CG-CE2 4.38Å; Y278-F305 AromaticContact CG-CG 3.62Å; Y278-F305 HydrophobicContact CG-CG 3.62Å; Y278-F305 HydrophobicContact CG-CZ 4.46Å; Y278-F305 AromaticContact CZ-CD1 3.9Å; Y278-F363 HydrophobicContact CD1-CD2 4.39Å; Y278-S364 WeakPolarHBondContact CA-O 3.46Å; Y278-P366 HydrophobicContact CE1-CB 4.26Å; Y278-P366 HydrophobicContact CE2-CB 4.29Å
279	I	94.3	Very high	87.1	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.7	168.2	-63.2	-53.4	0	0	0	108.5	I296 P299 F363 S364 M367 A372 F375 R376 W379	I279-I296 HydrophobicContact CG2-CG2 4.01Å; I279-P299 HydrophobicContact CD1-CB 3.97Å; I279-P299 HydrophobicContact CD1-CG 3.76Å; I279-F363 CarbonylContact O-C 3.58Å; I279-F363 WeakPolarHBondContact O-CA 3.31Å; I279-F363 VanDerWaalsContact O-CB 3.31Å; I279-F363 WeakPolarHBondContact O-CB 3.48Å; I279-S364 PolarHBondContact N-O 3.27Å; I279-S364 PolarHBondContact O-N 3.36Å; I279-M367 HydrophobicContact CG1-CE 4.44Å; I279-A372 HydrophobicContact CD1-CB 3.93Å; I279-A372 WeakPolarHBondContact CD1-O 3.37Å; I279-A372 HydrophobicContact CG1-CB 4.19Å; I279-F375 HydrophobicContact CB-CD1 4.27Å; I279-F375 HydrophobicContact CB-CE1 4.43Å; I279-F375 HydrophobicContact CG1-CB 4.36Å; I279-F375 HydrophobicContact CG1-CD1 3.92Å; I279-F375 HydrophobicContact CG1-CG 4.26Å; I279-F375 HydrophobicContact CG2-CD1 4.09Å; I279-F375 HydrophobicContact CG2-CE1 4.11Å; I279-R376 HydrophobicContact CD1-CB 4.03Å; I279-W379 HydrophobicContact CG2-CE3 4.16Å; I279-W379 HydrophobicContact CG2-CZ3 3.97Å
280	V	93.1	Very high	86.2	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.7	-175.7	-178.9	0	0	0	0	110.3	L297 L300 F305 L360 F363	V280-L297 HydrophobicContact CB-CB 4.43Å; V280-L297 HydrophobicContact CB-CD1 4.13Å; V280-L297 HydrophobicContact CB-CG 4.49Å; V280-L297 HydrophobicContact CG1-CD1 4.05Å; V280-L297 PolarHBondContact O-N 3.37Å; V280-L300 HydrophobicContact CB-CD1 4.49Å; V280-L300 HydrophobicContact CG2-CD1 3.91Å; V280-F305 HydrophobicContact CG2-CD2 3.74Å; V280-F305 HydrophobicContact CG2-CE2 4.03Å; V280-L360 HydrophobicContact CG1-CD2 3.51Å; V280-F363 HydrophobicContact CG2-CB 4.05Å
281	L	94.6	Very high	85.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.5	169.7	-176.7	72.9	0	0	0	108.7	T294 I296 R361 G362 W379 Y405 E406 W420	L281-T294 HydrophobicContact CD1-CG2 3.6Å; L281-T294 HydrophobicContact CD2-CG2 4.47Å; L281-T294 HydrophobicContact CG-CG2 4.01Å; L281-I296 HydrophobicContact CD1-CG1 4.04Å; L281-R361 HydrophobicContact CB-CB 4.38Å; L281-R361 HydrophobicContact CD2-CB 3.83Å; L281-R361 HydrophobicContact CG-CB 3.99Å; L281-R361 PolarHBondContact O-N 2.98Å; L281-G362 PolarHBondContact N-O 3.42Å; L281-G362 PolarHBondContact O-N 2.83Å; L281-W379 HydrophobicContact CB-CH2 4.44Å; L281-W379 HydrophobicContact CD1-CH2 4.33Å; L281-W379 HydrophobicContact CD1-CZ2 4.4Å; L281-Y405 HydrophobicContact CD1-CD1 4.43Å; L281-Y405 HydrophobicContact CD1-CG 4.36Å; L281-E406 HydrophobicContact CD2-CG 4.1Å; L281-W420 HydrophobicContact CB-CH2 4.02Å; L281-W420 HydrophobicContact CD2-CH2 4.43Å; L281-W420 HydrophobicContact CD2-CZ2 4.34Å
282	A	91.5	Very high	85.1	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	152.4	-176.3	0	0	0	0	0	112	T294 K295 L297 V357 R359 L360	A282-T294 WeakPolarHBondContact O-CA 3.38Å; A282-K295 PolarHBondContact N-O 3.31Å; A282-K295 PolarHBondContact O-N 2.83Å; A282-L297 HydrophobicContact CB-CD1 4.11Å; A282-L297 HydrophobicContact CB-CG 4.33Å; A282-V357 HydrophobicContact CB-CG1 4.04Å; A282-R359 CarbonylContact C-O 3.48Å; A282-R359 VanDerWaalsContact CA-O 3.3Å; A282-R359 WeakPolarHBondContact CA-O 3.44Å; A282-L360 HydrophobicContact CB-CD2 3.92Å
283	D	89.3	Confident	84.8	Confident	10 Å²	10	46.7 Å²	46.7	5%	0.053	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	122.8	167.2	-73.8	-23.7	0	0	0	109.1	I292 T294 H358 R359 R361	D283-I292 HydrophobicContact CB-CG2 3.68Å; D283-T294 WeakPolarHBondContact OD1-CA 3.27Å; D283-T294 WeakPolarHBondContact OD1-CB 3.46Å; D283-T294 PolarHBondContact OD1-OG1 3.42Å; D283-H358 PolarHBondContact O-N 3.24Å; D283-R359 HydrophobicContact CB-CB 4.34Å; D283-R359 PolarHBondContact N-O 3.07Å; D283-R359 PolarHBondContact O-N 3.31Å; D283-R361 IonicContact OD1-CZ 2.76Å; D283-R361 IonicContact OD1-NE 2.86Å; D283-R361 PolarHBondContact OD1-NE 3.46Å; D283-R361 IonicContact OD1-NH2 2.95Å; D283-R361 PolarHBondContact OD1-NH2 3.4Å; D283-R361 VanDerWaalsContact OD1-NH2 3.15Å; D283-R361 IonicContact OD2-CZ 2.7Å; D283-R361 IonicContact OD2-NE 3.75Å; D283-R361 PolarHBondContact OD2-NE 3.05Å; D283-R361 IonicContact OD2-NH2 3.12Å; D283-R361 PolarHBondContact OD2-NH2 3.04Å
284	V	86.1	Confident	84.6	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.2	-174.9	-175.3	0	0	0	0	109.6	Q293 K295 L297 H356 V357	V284-Q293 PolarHBondContact N-O 3.01Å; V284-Q293 PolarHBondContact O-N 3.27Å; V284-K295 HydrophobicContact CB-CD 4.22Å; V284-K295 HydrophobicContact CG2-CB 4.16Å; V284-K295 HydrophobicContact CG2-CD 4.35Å; V284-K295 HydrophobicContact CG2-CG 4.5Å; V284-L297 HydrophobicContact CG2-CD2 4.16Å; V284-H356 WeakPolarHBondContact CA-O 3.05Å; V284-V357 HydrophobicContact CG2-CG2 4.3Å
285	E	82.4	Confident	84.5	Confident	66 Å²	66	47.4 Å²	47.4	31%	0.308	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	120.5	172	-174.1	-178	169.9	0	0	109.5	A290 G355 H356	E285-A290 HydrophobicContact CG-CB 4Å; E285-A290 WeakPolarHBondContact OE1-CB 3.47Å; E285-G355 CarbonylContact O-C 3.47Å; E285-G355 WeakPolarHBondContact O-CA 3.33Å; E285-H356 PolarHBondContact N-O 3.3Å; E285-H356 PolarHBondContact O-N 3.08Å
286	I	75.3	Confident	84.5	Confident	59 Å²	59	44.9 Å²	44.9	30%	0.303	25%	0.245	S	C	.	.			trans	-100.1	-39.8	-166	-57.9	165.2	0	0	0	112.4	I291 Q293	I286-I291 PolarHBondContact N-O 3.41Å; I286-Q293 HydrophobicContact CD1-CB 3.86Å
287	S	69.2	Low	84.4	Confident	82 Å²	82	45.2 Å²	45.2	57%	0.573	25%	0.247	S	C	*	.	S	Bend	trans	-169.8	167.5	-173.3	-66.4	0	0	0	0	111.3	P289 A290	S287-P289 CarbonylContact O-C 3.52Å; S287-A290 WeakPolarHBondContact O-CA 3.41Å; S287-A290 PolarHBondContact O-N 3.48Å
288	E	59	Low	84.3	Confident	187 Å²	187	47.6 Å²	47.6	87%	0.874	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	137	173.9	-70.3	-175.7	-178.9	0	0	112.9
289	P	66.4	Low	84.3	Confident	105 Å²	105	48.4 Å²	48.4	68%	0.682	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	cis	-66.1	141.7	-6.6	28.9	-33.8	0	0	0	110.5	S287 I291	S287-P289 CarbonylContact O-C 3.52Å; P289-I291 VanDerWaalsContact C-N 3.32Å; P289-I291 WeakPolarHBondContact O-CG1 3.38Å; P289-I291 PolarHBondContact O-N 2.95Å
290	A	73.2	Confident	84.1	Confident	58 Å²	58	49 Å²	49	48%	0.479	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	83.3	-171.2	0	0	0	0	0	113.8	E285 S287 I292	E285-A290 HydrophobicContact CG-CB 4Å; E285-A290 WeakPolarHBondContact OE1-CB 3.47Å; S287-A290 WeakPolarHBondContact O-CA 3.41Å; S287-A290 PolarHBondContact O-N 3.48Å; A290-I292 PolarHBondContact O-N 3.36Å
291	I	80.7	Confident	84	Confident	114 Å²	114	52 Å²	52	59%	0.585	29%	0.293	S	S	*	.			trans	-84.2	113.5	174.6	-67	160.3	0	0	0	107.4	I286 P289	I286-I291 PolarHBondContact N-O 3.41Å; P289-I291 VanDerWaalsContact C-N 3.32Å; P289-I291 WeakPolarHBondContact O-CG1 3.38Å; P289-I291 PolarHBondContact O-N 2.95Å
292	I	83.7	Confident	83.6	Confident	85 Å²	85	52.7 Å²	52.7	44%	0.436	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	123	172.5	-58.8	176	0	0	0	108.4	D283 A290	D283-I292 HydrophobicContact CB-CG2 3.68Å; A290-I292 PolarHBondContact O-N 3.36Å
293	Q	85.9	Confident	83.2	Confident	51 Å²	51	55.1 Å²	55.1	24%	0.238	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.4	175.3	-168.7	-177.2	15.1	0	0	110.4	V284 I286 K295	V284-Q293 PolarHBondContact N-O 3.01Å; V284-Q293 PolarHBondContact O-N 3.27Å; I286-Q293 HydrophobicContact CD1-CB 3.86Å; Q293-K295 PolarHBondContact O-N 3.4Å
294	T	90.2	Very high	83	Confident	21 Å²	21	57.1 Å²	57.1	13%	0.129	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	124.3	170.2	-50.3	0	0	0	0	110.2	L281 A282 D283 R361 Y405	L281-T294 HydrophobicContact CD1-CG2 3.6Å; L281-T294 HydrophobicContact CD2-CG2 4.47Å; L281-T294 HydrophobicContact CG-CG2 4.01Å; A282-T294 WeakPolarHBondContact O-CA 3.38Å; D283-T294 WeakPolarHBondContact OD1-CA 3.27Å; D283-T294 WeakPolarHBondContact OD1-CB 3.46Å; D283-T294 PolarHBondContact OD1-OG1 3.42Å; T294-R361 PolarHBondContact OG1-NE 3.27Å; T294-R361 PolarHBondContact OG1-NH2 3.18Å; T294-Y405 HydrophobicContact CG2-CD2 3.7Å; T294-Y405 HydrophobicContact CG2-CE2 4.06Å; T294-Y405 HydrophobicContact CG2-CG 4.07Å
295	K	89.5	Confident	83	Confident	54 Å²	54	57.1 Å²	57.1	24%	0.235	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.3	-179.2	-69.8	-170.4	177.5	178.7	0	111.7	A282 V284 Q293	A282-K295 PolarHBondContact N-O 3.31Å; A282-K295 PolarHBondContact O-N 2.83Å; V284-K295 HydrophobicContact CB-CD 4.22Å; V284-K295 HydrophobicContact CG2-CB 4.16Å; V284-K295 HydrophobicContact CG2-CD 4.35Å; V284-K295 HydrophobicContact CG2-CG 4.5Å; Q293-K295 PolarHBondContact O-N 3.4Å
296	I	91.7	Very high	83	Confident	15 Å²	15	54.3 Å²	54.3	8%	0.077	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	108.5	168.4	-55.7	153.9	0	0	0	106.9	I279 L281 R376 W379 L380	I279-I296 HydrophobicContact CG2-CG2 4.01Å; L281-I296 HydrophobicContact CD1-CG1 4.04Å; I296-R376 HydrophobicContact CG2-CG 4.05Å; I296-R376 PolarHBondContact O-NE 3.32Å; I296-W379 HydrophobicContact CD1-CB 4.15Å; I296-W379 HydrophobicContact CD1-CD2 3.47Å; I296-W379 VanDerWaalsContact CD1-CD2 3.47Å; I296-W379 HydrophobicContact CD1-CE3 4.05Å; I296-W379 HydrophobicContact CD1-CG 3.48Å; I296-W379 VanDerWaalsContact CD1-CG 3.48Å; I296-W379 HydrophobicContact CD1-CZ2 4.39Å; I296-W379 HydrophobicContact CG1-CD2 3.93Å; I296-W379 HydrophobicContact CG1-CE3 4.06Å; I296-W379 HydrophobicContact CG1-CG 4.43Å; I296-W379 HydrophobicContact CG1-CH2 4.48Å; I296-W379 HydrophobicContact CG1-CZ2 4.31Å; I296-W379 HydrophobicContact CG1-CZ3 4.36Å; I296-W379 HydrophobicContact CG2-CD2 4.38Å; I296-W379 HydrophobicContact CG2-CE3 3.83Å; I296-W379 HydrophobicContact CG2-CZ3 4.25Å; I296-L380 HydrophobicContact CD1-CD2 3.99Å
297	L	90.7	Very high	83.1	Confident	16 Å²	16	52 Å²	52	8%	0.084	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-66.9	162.6	-177.9	-58.3	-173	0	0	0	111	V280 A282 V284 M308 T353 R376	V280-L297 HydrophobicContact CB-CB 4.43Å; V280-L297 HydrophobicContact CB-CD1 4.13Å; V280-L297 HydrophobicContact CB-CG 4.49Å; V280-L297 HydrophobicContact CG1-CD1 4.05Å; V280-L297 PolarHBondContact O-N 3.37Å; A282-L297 HydrophobicContact CB-CD1 4.11Å; A282-L297 HydrophobicContact CB-CG 4.33Å; V284-L297 HydrophobicContact CG2-CD2 4.16Å; L297-M308 HydrophobicContact CD1-CE 4.39Å; L297-T353 HydrophobicContact CD2-CG2 4.26Å; L297-R376 WeakPolarHBondContact O-CD 3.44Å; L297-R376 PolarHBondContact O-NE 2.98Å
298	A	90.9	Very high	83.7	Confident	56 Å²	56	48.3 Å²	48.3	46%	0.463	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-62.1	155.3	167.9	0	0	0	0	0	109.9	L300	A298-L300 PolarHBondContact O-N 3.09Å
299	P	92.7	Very high	84.8	Confident	35 Å²	35	39.4 Å²	39.4	23%	0.227	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-53	126.8	173.6	-22.1	32.3	0	0	0	110.7	Y278 I279 A372 V373	Y278-P299 WeakPolarHBondContact O-CA 3.48Å; I279-P299 HydrophobicContact CD1-CB 3.97Å; I279-P299 HydrophobicContact CD1-CG 3.76Å; P299-A372 HydrophobicContact CB-CB 3.83Å; P299-A372 HydrophobicContact CG-CB 4.12Å; P299-V373 HydrophobicContact CG-CG2 3.94Å
300	L	90.9	Very high	85.3	Confident	11 Å²	11	34.6 Å²	34.6	6%	0.058	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132.9	177.2	-60.3	-175.8	0	0	0	108.6	S277 Y278 V280 A298 E304 F305 M308 L351	S277-L300 CarbonylContact C-O 3.37Å; S277-L300 VanDerWaalsContact CA-O 3.24Å; S277-L300 WeakPolarHBondContact CA-O 3.1Å; Y278-L300 PolarHBondContact N-O 2.78Å; Y278-L300 PolarHBondContact O-N 2.89Å; V280-L300 HydrophobicContact CB-CD1 4.49Å; V280-L300 HydrophobicContact CG2-CD1 3.91Å; A298-L300 PolarHBondContact O-N 3.09Å; L300-E304 WeakPolarHBondContact CA-OE2 3.36Å; L300-E304 HydrophobicContact CB-CB 3.96Å; L300-E304 HydrophobicContact CD2-CB 4.27Å; L300-F305 HydrophobicContact CB-CB 4.26Å; L300-M308 HydrophobicContact CD1-CG 3.88Å; L300-L351 HydrophobicContact CD1-CD1 4.5Å; L300-L351 HydrophobicContact CD1-CD2 4.28Å; L300-L351 HydrophobicContact CD2-CD1 4.27Å; L300-L351 HydrophobicContact CD2-CD2 4.28Å; L300-L351 HydrophobicContact CD2-CG 4.29Å
301	N	89.9	Confident	85.4	Confident	65 Å²	65	33.9 Å²	33.9	35%	0.348	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	165.8	169.7	67.1	51.6	0	0	0	110.4	R303 E304 F305	N301-R303 PolarHBondContact O-N 3.49Å; N301-R303 VanDerWaalsContact O-N 3.08Å; N301-R303 WeakPolarHBondContact OD1-CB 3.45Å; N301-R303 PolarHBondContact OD1-N 3.21Å; N301-E304 PolarHBondContact N-OE2 2.88Å; N301-E304 PolarHBondContact ND2-OE2 3.36Å; N301-E304 PolarHBondContact O-N 2.98Å; N301-E304 WeakPolarHBondContact OD1-CG 3.49Å; N301-E304 PolarHBondContact OD1-N 3.18Å; N301-F305 WeakPolarHBondContact O-CB 3.39Å; N301-F305 PolarHBondContact O-N 2.97Å
302	T	86.6	Confident	85.3	Confident	14 Å²	14	32.2 Å²	32.2	9%	0.086	17%	0.168	C	C	.	.	H	α-helix	trans	-50.1	-37.8	-179.2	-60.7	0	0	0	0	113.9	R225 E276 Y278 Q306	R225-T302 HydrophobicContact CG-CG2 3.64Å; E276-T302 VanDerWaalsContact CB-OG1 3.29Å; E276-T302 WeakPolarHBondContact CB-OG1 3.36Å; E276-T302 PolarHBondContact O-N 3.04Å; E276-T302 PolarHBondContact O-OG1 3.42Å; Y278-T302 HydrophobicContact CE2-CG2 4.41Å; T302-Q306 WeakPolarHBondContact O-CB 3.31Å; T302-Q306 WeakPolarHBondContact O-CG 3.31Å; T302-Q306 PolarHBondContact O-N 3.42Å
303	R	82.8	Confident	84.9	Confident	51 Å²	51	28.3 Å²	28.3	19%	0.192	15%	0.148	C	C	.	.	H	α-helix	trans	-75.2	-42.9	-178.5	-68.4	178.6	172.3	-154.8	-13.5	113.1	A224 H226 T229 L231 N301 F305 Q306 T307	A224-R303 PolarHBondContact O-NE 3.32Å; A224-R303 VanDerWaalsContact O-NE 3.15Å; A224-R303 PolarHBondContact O-NH2 2.91Å; H226-R303 PolarHBondContact O-NH2 3.49Å; T229-R303 PolarHBondContact O-NH1 2.77Å; T229-R303 PolarHBondContact O-NH2 3.39Å; L231-R303 VanDerWaalsContact CG-NH2 3.31Å; N301-R303 PolarHBondContact O-N 3.49Å; N301-R303 VanDerWaalsContact O-N 3.08Å; N301-R303 WeakPolarHBondContact OD1-CB 3.45Å; N301-R303 PolarHBondContact OD1-N 3.21Å; R303-F305 VanDerWaalsContact C-N 3.28Å; R303-Q306 PolarHBondContact O-N 2.91Å; R303-T307 WeakPolarHBondContact O-CB 3.27Å; R303-T307 PolarHBondContact O-N 2.98Å; R303-T307 PolarHBondContact O-OG1 3.25Å
304	E	84.5	Confident	84	Confident	52 Å²	52	32.7 Å²	32.7	24%	0.243	16%	0.163	C	C	.	.	H	α-helix	trans	-60.3	-44.4	173.9	-71.9	169.7	160.3	0	0	110.1	L300 N301 T307 M308 L349 L351	L300-E304 WeakPolarHBondContact CA-OE2 3.36Å; L300-E304 HydrophobicContact CB-CB 3.96Å; L300-E304 HydrophobicContact CD2-CB 4.27Å; N301-E304 PolarHBondContact N-OE2 2.88Å; N301-E304 PolarHBondContact ND2-OE2 3.36Å; N301-E304 PolarHBondContact O-N 2.98Å; N301-E304 WeakPolarHBondContact OD1-CG 3.49Å; N301-E304 PolarHBondContact OD1-N 3.18Å; E304-T307 PolarHBondContact O-N 2.86Å; E304-M308 WeakPolarHBondContact O-CB 3.18Å; E304-M308 VanDerWaalsContact O-CG 3.3Å; E304-M308 WeakPolarHBondContact O-CG 3.31Å; E304-M308 PolarHBondContact O-N 3.29Å; E304-L349 HydrophobicContact CG-CD2 4.18Å; E304-L351 HydrophobicContact CB-CD1 4.15Å
305	F	86.8	Confident	83	Confident	3 Å²	3	38 Å²	38	1%	0.013	19%	0.19	C	C	.	.	H	α-helix	trans	-61.9	-47.2	176.4	174.5	-109.6	0	0	0	112.6	Y278 V280 L300 N301 R303 T307 M308 L309 F363	Y278-F305 AromaticContact CD1-CD1 3.9Å; Y278-F305 HydrophobicContact CD1-CD1 3.9Å; Y278-F305 HydrophobicContact CD1-CD2 4.32Å; Y278-F305 AromaticContact CD1-CE1 3.84Å; Y278-F305 HydrophobicContact CD1-CE1 3.84Å; Y278-F305 HydrophobicContact CD1-CE2 4.28Å; Y278-F305 HydrophobicContact CD1-CG 4.14Å; Y278-F305 HydrophobicContact CD1-CZ 4.05Å; Y278-F305 HydrophobicContact CD2-CB 3.77Å; Y278-F305 AromaticContact CD2-CD1 3.67Å; Y278-F305 HydrophobicContact CD2-CD1 3.67Å; Y278-F305 HydrophobicContact CD2-CD2 4.48Å; Y278-F305 HydrophobicContact CD2-CE1 4.42Å; Y278-F305 AromaticContact CD2-CG 3.7Å; Y278-F305 HydrophobicContact CD2-CG 3.7Å; Y278-F305 AromaticContact CE1-CD1 3.98Å; Y278-F305 HydrophobicContact CE1-CD1 3.98Å; Y278-F305 AromaticContact CE1-CE1 3.78Å; Y278-F305 HydrophobicContact CE1-CE1 3.78Å; Y278-F305 HydrophobicContact CE1-CZ 4.31Å; Y278-F305 HydrophobicContact CE2-CB 4.47Å; Y278-F305 AromaticContact CE2-CD1 3.76Å; Y278-F305 HydrophobicContact CE2-CD1 3.76Å; Y278-F305 HydrophobicContact CE2-CE1 4.37Å; Y278-F305 HydrophobicContact CE2-CG 4.27Å; Y278-F305 HydrophobicContact CG-CB 4.07Å; Y278-F305 AromaticContact CG-CD1 3.74Å; Y278-F305 HydrophobicContact CG-CD1 3.74Å; Y278-F305 AromaticContact CG-CD2 3.97Å; Y278-F305 HydrophobicContact CG-CD2 3.97Å; Y278-F305 HydrophobicContact CG-CE1 4.16Å; Y278-F305 HydrophobicContact CG-CE2 4.38Å; Y278-F305 AromaticContact CG-CG 3.62Å; Y278-F305 HydrophobicContact CG-CG 3.62Å; Y278-F305 HydrophobicContact CG-CZ 4.46Å; Y278-F305 AromaticContact CZ-CD1 3.9Å; V280-F305 HydrophobicContact CG2-CD2 3.74Å; V280-F305 HydrophobicContact CG2-CE2 4.03Å; L300-F305 HydrophobicContact CB-CB 4.26Å; N301-F305 WeakPolarHBondContact O-CB 3.39Å; N301-F305 PolarHBondContact O-N 2.97Å; R303-F305 VanDerWaalsContact C-N 3.28Å; F305-T307 VanDerWaalsContact C-N 3.33Å; F305-T307 PolarHBondContact O-N 3.31Å; F305-M308 WeakPolarHBondContact O-CB 3.28Å; F305-M308 PolarHBondContact O-N 2.84Å; F305-L309 HydrophobicContact CD1-CD1 4.12Å; F305-L309 HydrophobicContact CE1-CD1 3.37Å; F305-L309 HydrophobicContact CE1-CG 4.08Å; F305-L309 HydrophobicContact CE2-CD1 4.17Å; F305-L309 HydrophobicContact CE2-CD2 4.27Å; F305-L309 HydrophobicContact CE2-CG 4.02Å; F305-L309 HydrophobicContact CZ-CD1 3.39Å; F305-L309 HydrophobicContact CZ-CD2 4.09Å; F305-L309 HydrophobicContact CZ-CG 3.75Å; F305-L309 PolarHBondContact O-N 3.46Å; F305-F363 HydrophobicContact CE1-CD2 4.47Å; F305-F363 HydrophobicContact CE1-CE2 4.33Å; F305-F363 HydrophobicContact CE2-CB 3.9Å; F305-F363 AromaticContact CE2-CD1 3.83Å; F305-F363 HydrophobicContact CE2-CD1 3.83Å; F305-F363 AromaticContact CE2-CD2 3.8Å; F305-F363 HydrophobicContact CE2-CD2 3.8Å; F305-F363 HydrophobicContact CE2-CE1 4.29Å; F305-F363 HydrophobicContact CE2-CE2 4.26Å; F305-F363 AromaticContact CE2-CG 3.56Å; F305-F363 HydrophobicContact CE2-CG 3.56Å; F305-F363 HydrophobicContact CE2-CZ 4.48Å; F305-F363 HydrophobicContact CZ-CB 4.44Å; F305-F363 AromaticContact CZ-CD1 3.89Å; F305-F363 HydrophobicContact CZ-CD1 3.89Å; F305-F363 AromaticContact CZ-CD2 3.45Å; F305-F363 HydrophobicContact CZ-CD2 3.45Å; F305-F363 VanDerWaalsContact CZ-CD2 3.45Å; F305-F363 AromaticContact CZ-CE1 3.93Å; F305-F363 HydrophobicContact CZ-CE1 3.93Å; F305-F363 AromaticContact CZ-CE2 3.48Å; F305-F363 HydrophobicContact CZ-CE2 3.48Å; F305-F363 VanDerWaalsContact CZ-CE2 3.48Å; F305-F363 AromaticContact CZ-CG 3.66Å; F305-F363 HydrophobicContact CZ-CG 3.66Å; F305-F363 AromaticContact CZ-CZ 3.73Å; F305-F363 HydrophobicContact CZ-CZ 3.73Å
306	Q	82	Confident	81.8	Confident	6 Å²	6	36.5 Å²	36.5	3%	0.028	19%	0.186	C	C	.	.	H	α-helix	trans	-65.5	-37.2	177.4	-75.5	-171	-15.5	0	0	112.9	R225 T302 R303 M308 L309 G310 A323	R225-Q306 VanDerWaalsContact CG-NE2 3.35Å; R225-Q306 PolarHBondContact O-OE1 3.07Å; T302-Q306 WeakPolarHBondContact O-CB 3.31Å; T302-Q306 WeakPolarHBondContact O-CG 3.31Å; T302-Q306 PolarHBondContact O-N 3.42Å; R303-Q306 PolarHBondContact O-N 2.91Å; Q306-M308 VanDerWaalsContact C-N 3.34Å; Q306-L309 PolarHBondContact O-N 3.07Å; Q306-G310 PolarHBondContact O-N 2.72Å; Q306-A323 VanDerWaalsContact CB-O 3.31Å; Q306-A323 WeakPolarHBondContact CB-O 3.34Å; Q306-A323 HydrophobicContact CG-CB 4.49Å; Q306-A323 WeakPolarHBondContact CG-O 3.32Å; Q306-A323 PolarHBondContact NE2-O 3.45Å; Q306-A323 PolarHBondContact OE1-O 2.99Å
307	T	78.1	Confident	80.7	Confident	10 Å²	10	36.5 Å²	36.5	6%	0.061	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-49.5	171.9	-58.1	0	0	0	0	109.5	R303 E304 F305 L309 G310 L311 L339 L349	R303-T307 WeakPolarHBondContact O-CB 3.27Å; R303-T307 PolarHBondContact O-N 2.98Å; R303-T307 PolarHBondContact O-OG1 3.25Å; E304-T307 PolarHBondContact O-N 2.86Å; F305-T307 VanDerWaalsContact C-N 3.33Å; F305-T307 PolarHBondContact O-N 3.31Å; T307-L309 PolarHBondContact O-N 3.43Å; T307-G310 PolarHBondContact O-N 3.48Å; T307-G310 VanDerWaalsContact O-N 3.14Å; T307-L311 HydrophobicContact CG2-CD1 4.26Å; T307-L311 HydrophobicContact CG2-CG 4.38Å; T307-L311 VanDerWaalsContact O-CG 3.3Å; T307-L311 WeakPolarHBondContact O-CG 3.19Å; T307-L311 PolarHBondContact O-N 3.35Å; T307-L339 HydrophobicContact CG2-CD1 3.55Å; T307-L349 HydrophobicContact CG2-CD1 4.25Å; T307-L349 WeakPolarHBondContact OG1-CD1 3.34Å
308	M	81.3	Confident	79.7	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.025	21%	0.205	C	C	.	.	H	α-helix	trans	-56	-46.3	175.7	-76.2	-62.9	-70	0	0	113.1	L297 L300 E304 F305 Q306 G310 L311 Y312 L351 V357 L360	L297-M308 HydrophobicContact CD1-CE 4.39Å; L300-M308 HydrophobicContact CD1-CG 3.88Å; E304-M308 WeakPolarHBondContact O-CB 3.18Å; E304-M308 VanDerWaalsContact O-CG 3.3Å; E304-M308 WeakPolarHBondContact O-CG 3.31Å; E304-M308 PolarHBondContact O-N 3.29Å; F305-M308 WeakPolarHBondContact O-CB 3.28Å; F305-M308 PolarHBondContact O-N 2.84Å; Q306-M308 VanDerWaalsContact C-N 3.34Å; M308-G310 PolarHBondContact O-N 3.45Å; M308-L311 PolarHBondContact O-N 3.27Å; M308-Y312 HydrophobicContact CE-CD2 3.54Å; M308-Y312 HydrophobicContact CE-CE2 3.54Å; M308-Y312 VanDerWaalsContact O-CD2 3.29Å; M308-Y312 WeakPolarHBondContact O-CD2 3.27Å; M308-Y312 PolarHBondContact O-N 2.85Å; M308-Y312 HydrophobicContact SD-CD2 3.78Å; M308-Y312 HydrophobicContact SD-CE2 3.47Å; M308-Y312 WeakPolarHBondContact SD-CE2 3.36Å; M308-L351 HydrophobicContact CE-CD2 3.82Å; M308-L351 HydrophobicContact CG-CD1 3.61Å; M308-L351 HydrophobicContact CG-CD2 3.69Å; M308-L351 HydrophobicContact CG-CG 4.28Å; M308-L351 HydrophobicContact SD-CD1 3.84Å; M308-L351 HydrophobicContact SD-CD2 3.24Å; M308-L351 WeakPolarHBondContact SD-CD2 3.47Å; M308-L351 HydrophobicContact SD-CG 4.02Å; M308-V357 HydrophobicContact CE-CB 4.14Å; M308-V357 HydrophobicContact CE-CG1 3.93Å; M308-V357 HydrophobicContact CE-CG2 3.85Å; M308-L360 HydrophobicContact CE-CD2 3.97Å
309	L	82.1	Confident	78.2	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-60.8	-44.4	175.8	-75	179.8	0	0	0	112.2	F305 Q306 T307 L311 A313 R314 T324 L360 F363	F305-L309 HydrophobicContact CD1-CD1 4.12Å; F305-L309 HydrophobicContact CE1-CD1 3.37Å; F305-L309 HydrophobicContact CE1-CG 4.08Å; F305-L309 HydrophobicContact CE2-CD1 4.17Å; F305-L309 HydrophobicContact CE2-CD2 4.27Å; F305-L309 HydrophobicContact CE2-CG 4.02Å; F305-L309 HydrophobicContact CZ-CD1 3.39Å; F305-L309 HydrophobicContact CZ-CD2 4.09Å; F305-L309 HydrophobicContact CZ-CG 3.75Å; F305-L309 PolarHBondContact O-N 3.46Å; Q306-L309 PolarHBondContact O-N 3.07Å; T307-L309 PolarHBondContact O-N 3.43Å; L309-L311 VanDerWaalsContact C-N 3.28Å; L309-L311 PolarHBondContact O-N 2.78Å; L309-A313 HydrophobicContact CD2-CB 4.06Å; L309-A313 CarbonylContact O-C 3.59Å; L309-A313 VanDerWaalsContact O-CA 3.31Å; L309-A313 WeakPolarHBondContact O-CA 3.18Å; L309-A313 WeakPolarHBondContact O-CB 3.48Å; L309-A313 PolarHBondContact O-N 3.45Å; L309-R314 PolarHBondContact O-N 3.23Å; L309-T324 HydrophobicContact CB-CG2 3.82Å; L309-L360 HydrophobicContact CD2-CD1 4.14Å; L309-F363 HydrophobicContact CD2-CE1 3.99Å
310	G	77.3	Confident	76.8	Confident	4 Å²	4	41.7 Å²	41.7	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-64.1	-32.3	-179.7	0	0	0	0	0	113.3	Q306 T307 M308	Q306-G310 PolarHBondContact O-N 2.72Å; T307-G310 PolarHBondContact O-N 3.48Å; T307-G310 VanDerWaalsContact O-N 3.14Å; M308-G310 PolarHBondContact O-N 3.45Å
311	L	76.1	Confident	75.2	Confident	43 Å²	43	49.3 Å²	49.3	23%	0.225	23%	0.234	C	C	.	.	H	α-helix	trans	-82.3	-39.8	179.2	-60.5	-168.6	0	0	0	113	T307 M308 L309 Y337	T307-L311 HydrophobicContact CG2-CD1 4.26Å; T307-L311 HydrophobicContact CG2-CG 4.38Å; T307-L311 VanDerWaalsContact O-CG 3.3Å; T307-L311 WeakPolarHBondContact O-CG 3.19Å; T307-L311 PolarHBondContact O-N 3.35Å; M308-L311 PolarHBondContact O-N 3.27Å; L309-L311 VanDerWaalsContact C-N 3.28Å; L309-L311 PolarHBondContact O-N 2.78Å; L311-Y337 HydrophobicContact CB-CD2 4.25Å; L311-Y337 HydrophobicContact CD1-CD2 4.32Å; L311-Y337 VanDerWaalsContact CD2-CB 3.41Å; L311-Y337 HydrophobicContact CD2-CD1 4.4Å; L311-Y337 HydrophobicContact CD2-CD2 3.48Å; L311-Y337 VanDerWaalsContact CD2-CD2 3.48Å; L311-Y337 HydrophobicContact CD2-CE2 4.28Å; L311-Y337 HydrophobicContact CD2-CG 3.51Å; L311-Y337 HydrophobicContact CG-CD2 4.18Å
312	Y	77.5	Confident	73.4	Confident	79 Å²	79	49.9 Å²	49.9	31%	0.31	24%	0.237	S	C	.	.	H	α-helix	trans	-113.4	-10	-167.9	-60.7	-72.2	0	0	0	115	M308 V357	M308-Y312 HydrophobicContact CE-CD2 3.54Å; M308-Y312 HydrophobicContact CE-CE2 3.54Å; M308-Y312 VanDerWaalsContact O-CD2 3.29Å; M308-Y312 WeakPolarHBondContact O-CD2 3.27Å; M308-Y312 PolarHBondContact O-N 2.85Å; M308-Y312 HydrophobicContact SD-CD2 3.78Å; M308-Y312 HydrophobicContact SD-CE2 3.47Å; M308-Y312 WeakPolarHBondContact SD-CE2 3.36Å; Y312-V357 HydrophobicContact CD1-CG1 4.29Å; Y312-V357 HydrophobicContact CD2-CG1 4.28Å; Y312-V357 HydrophobicContact CE1-CB 4.03Å; Y312-V357 HydrophobicContact CE1-CG1 4.26Å; Y312-V357 WeakPolarHBondContact CE1-O 3.18Å; Y312-V357 HydrophobicContact CE2-CB 4.04Å; Y312-V357 HydrophobicContact CE2-CG1 4.26Å; Y312-V357 HydrophobicContact CG-CG1 4.3Å
313	A	76.4	Confident	71.7	Confident	3 Å²	3	49.8 Å²	49.8	3%	0.025	24%	0.238	C	C	.	.			trans	-136.3	22.4	-175	0	0	0	0	0	113.7	L309 N315 S316 C317 L360 Y430	L309-A313 HydrophobicContact CD2-CB 4.06Å; L309-A313 CarbonylContact O-C 3.59Å; L309-A313 VanDerWaalsContact O-CA 3.31Å; L309-A313 WeakPolarHBondContact O-CA 3.18Å; L309-A313 WeakPolarHBondContact O-CB 3.48Å; L309-A313 PolarHBondContact O-N 3.45Å; A313-N315 VanDerWaalsContact C-N 3.31Å; A313-N315 PolarHBondContact O-N 2.88Å; A313-N315 VanDerWaalsContact O-N 3.11Å; A313-S316 PolarHBondContact O-N 2.97Å; A313-S316 VanDerWaalsContact O-N 3.1Å; A313-C317 HydrophobicContact CB-CB 4.47Å; A313-C317 WeakPolarHBondContact O-CB 3.44Å; A313-C317 PolarHBondContact O-N 3.07Å; A313-L360 HydrophobicContact CB-CD1 4.39Å; A313-Y430 HydrophobicContact CB-CD2 4.37Å; A313-Y430 HydrophobicContact CB-CE2 3.57Å
314	R	66.5	Low	70.4	Confident	143 Å²	143	49.4 Å²	49.4	54%	0.54	24%	0.241	S	C	.	.	S	Bend	trans	-51.4	-41	-168.9	-166.9	174.7	-174.1	172.9	2.8	115.4	L309	L309-R314 PolarHBondContact O-N 3.23Å
315	N	68.7	Low	69	Low	132 Å²	132	47.5 Å²	47.5	71%	0.706	23%	0.232	S	C	*	.	S	Bend	trans	-97.5	-17.7	-176.8	-62.3	-21.3	0	0	0	113	A313	A313-N315 VanDerWaalsContact C-N 3.31Å; A313-N315 PolarHBondContact O-N 2.88Å; A313-N315 VanDerWaalsContact O-N 3.11Å
316	S	64	Low	67.5	Low	22 Å²	22	47.7 Å²	47.7	15%	0.154	23%	0.234	C	C	.	.	S	Bend	trans	-103.7	18.2	-170.1	-56.4	0	0	0	0	112.5	A313 D428 D429 Y430	A313-S316 PolarHBondContact O-N 2.97Å; A313-S316 VanDerWaalsContact O-N 3.1Å; S316-D428 WeakPolarHBondContact CA-O 3.46Å; S316-D428 WeakPolarHBondContact CB-OD1 3.3Å; S316-D428 PolarHBondContact OG-OD1 3.16Å; S316-D429 VanDerWaalsContact O-CA 3.25Å; S316-D429 WeakPolarHBondContact O-CA 3.46Å; S316-Y430 VanDerWaalsContact O-CD2 3.29Å; S316-Y430 WeakPolarHBondContact O-CD2 3.37Å; S316-Y430 PolarHBondContact O-N 2.96Å
317	C	68.2	Low	66.7	Low	15 Å²	15	48.6 Å²	48.6	10%	0.101	24%	0.238	C	C	.	.			trans	-123.1	55.9	-175.6	-152.6	0	0	0	0	110.5	A313 T319 F320 D429	A313-C317 HydrophobicContact CB-CB 4.47Å; A313-C317 WeakPolarHBondContact O-CB 3.44Å; A313-C317 PolarHBondContact O-N 3.07Å; C317-T319 VanDerWaalsContact C-N 3.27Å; C317-T319 PolarHBondContact O-N 3.35Å; C317-F320 PolarHBondContact O-N 3.15Å; C317-F320 VanDerWaalsContact SG-CB 3.6Å; C317-F320 WeakPolarHBondContact SG-CD2 3.47Å; C317-D429 VanDerWaalsContact CA-OD1 3.3Å; C317-D429 WeakPolarHBondContact CA-OD1 3.25Å
318	K	69.6	Low	65.7	Low	105 Å²	105	49 Å²	49	46%	0.457	24%	0.24	S	C	.	.	S	Bend	trans	-68	-28.5	-175	-57.3	167.8	-171.4	159.4	0	111.7	F320 K321 L427 D429	K318-F320 VanDerWaalsContact C-N 3.3Å; K318-K321 VanDerWaalsContact O-CE 3.32Å; K318-K321 WeakPolarHBondContact O-CE 3.38Å; K318-K321 WeakPolarHBondContact O-CG 3.49Å; K318-L427 PolarHBondContact NZ-O 3.42Å; K318-D429 WeakPolarHBondContact CB-OD2 3.35Å; K318-D429 PolarHBondContact N-OD1 2.81Å
319	T	59.4	Low	64.8	Low	72 Å²	72	51.4 Å²	51.4	44%	0.442	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-29.2	175.8	-63.7	0	0	0	0	112	C317 D429	C317-T319 VanDerWaalsContact C-N 3.27Å; C317-T319 PolarHBondContact O-N 3.35Å; T319-D429 PolarHBondContact N-OD1 3.49Å; T319-D429 PolarHBondContact N-OD2 3.39Å; T319-D429 PolarHBondContact OG1-OD2 3.46Å
320	F	63.3	Low	63.4	Low	39 Å²	39	53.6 Å²	53.6	17%	0.171	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	45.1	-174	-57.5	-96	0	0	0	112.9	C317 K318 N322 A323 F363 Y421	C317-F320 PolarHBondContact O-N 3.15Å; C317-F320 VanDerWaalsContact SG-CB 3.6Å; C317-F320 WeakPolarHBondContact SG-CD2 3.47Å; K318-F320 VanDerWaalsContact C-N 3.3Å; F320-N322 PolarHBondContact O-N 3.05Å; F320-A323 HydrophobicContact CB-CB 3.61Å; F320-A323 HydrophobicContact CD1-CB 4.47Å; F320-A323 HydrophobicContact CG-CB 4.49Å; F320-A323 VanDerWaalsContact O-CB 3.31Å; F320-A323 WeakPolarHBondContact O-CB 3.23Å; F320-A323 PolarHBondContact O-N 3.17Å; F320-F363 HydrophobicContact CD2-CZ 4.37Å; F320-F363 HydrophobicContact CE1-CE2 4.42Å; F320-F363 HydrophobicContact CE2-CE2 4.2Å; F320-F363 AromaticContact CE2-CZ 3.64Å; F320-F363 HydrophobicContact CE2-CZ 3.64Å; F320-F363 AromaticContact CZ-CE2 3.79Å; F320-F363 HydrophobicContact CZ-CE2 3.79Å; F320-F363 AromaticContact CZ-CZ 3.72Å; F320-F363 HydrophobicContact CZ-CZ 3.72Å; F320-Y421 AromaticContact CE2-CD1 3.89Å; F320-Y421 HydrophobicContact CE2-CD1 3.89Å; F320-Y421 HydrophobicContact CE2-CE1 4.22Å; F320-Y421 HydrophobicContact CE2-CG 4.18Å; F320-Y421 AromaticContact CZ-CD1 3.68Å; F320-Y421 HydrophobicContact CZ-CD1 3.68Å; F320-Y421 HydrophobicContact CZ-CD2 4Å; F320-Y421 AromaticContact CZ-CE1 3.7Å; F320-Y421 HydrophobicContact CZ-CE1 3.7Å; F320-Y421 HydrophobicContact CZ-CE2 4Å; F320-Y421 AromaticContact CZ-CG 3.84Å; F320-Y421 HydrophobicContact CZ-CG 3.84Å; F320-Y421 AromaticContact CZ-CZ 3.86Å
321	K	57.8	Low	62.2	Low	171 Å²	171	56.7 Å²	56.7	74%	0.743	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-30.1	-177.8	-60.4	-175.6	-178.7	172.3	0	114.1	K318	K318-K321 VanDerWaalsContact O-CE 3.32Å; K318-K321 WeakPolarHBondContact O-CE 3.38Å; K318-K321 WeakPolarHBondContact O-CG 3.49Å
322	N	53.6	Low	60.8	Low	78 Å²	78	63.7 Å²	63.7	42%	0.417	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-6.4	178.8	-65.9	-12.7	0	0	0	113.6	Q160 F320	Q160-N322 VanDerWaalsContact NE2-CG 3.32Å; Q160-N322 PolarHBondContact NE2-ND2 3.29Å; Q160-N322 PolarHBondContact NE2-OD1 2.86Å; F320-N322 PolarHBondContact O-N 3.05Å
323	A	50.7	Low	58.9	Low	11 Å²	11	65.6 Å²	65.6	9%	0.091	33%	0.327	C	S	.	.	S	Bend	trans	-85.8	-7.8	-170	0	0	0	0	0	114.1	Q306 F320	Q306-A323 VanDerWaalsContact CB-O 3.31Å; Q306-A323 WeakPolarHBondContact CB-O 3.34Å; Q306-A323 HydrophobicContact CG-CB 4.49Å; Q306-A323 WeakPolarHBondContact CG-O 3.32Å; Q306-A323 PolarHBondContact NE2-O 3.45Å; Q306-A323 PolarHBondContact OE1-O 2.99Å; F320-A323 HydrophobicContact CB-CB 3.61Å; F320-A323 HydrophobicContact CD1-CB 4.47Å; F320-A323 HydrophobicContact CG-CB 4.49Å; F320-A323 VanDerWaalsContact O-CB 3.31Å; F320-A323 WeakPolarHBondContact O-CB 3.23Å; F320-A323 PolarHBondContact O-N 3.17Å
324	T	53.7	Low	57	Low	44 Å²	44	72.1 Å²	72.1	27%	0.27	36%	0.361	S	S	.	.			trans	-134.5	79.1	-179.1	65	0	0	0	0	111.4	L309 V326	L309-T324 HydrophobicContact CB-CG2 3.82Å; T324-V326 PolarHBondContact O-N 3.47Å
325	H	56.2	Low	55.4	Low	12 Å²	12	72.1 Å²	72.1	6%	0.056	37%	0.367	C	S	.	.			trans	-68.9	6.2	155.8	-71	-68.3	0	0	0	112.3	N164 D167 H226 P227 K327	N164-H325 PolarHBondContact OD1-CE1 3.01Å; D167-H325 IonicContact OD2-CG 3.36Å; D167-H325 IonicContact OD2-ND1 2.81Å; D167-H325 PolarHBondContact OD2-ND1 2.69Å; H226-H325 AromaticContact CD2-CD2 3.66Å; H226-H325 AromaticContact CD2-CG 3.49Å; H226-H325 VanDerWaalsContact CD2-CG 3.49Å; H226-H325 AromaticContact NE2-CG 3.86Å; P227-H325 HydrophobicContact CG-CB 4.47Å; H325-K327 PolarHBondContact O-N 3.19Å; H325-K327 VanDerWaalsContact O-N 3.08Å
326	V	56.2	Low	53.7	Low	6 Å²	6	73.1 Å²	73.1	4%	0.036	36%	0.363	C	S	.	.			trans	-75.1	98.4	177.8	-179.4	0	0	0	0	108.3	P227 T324 P328 L339	P227-V326 HydrophobicContact CB-CG2 4.3Å; P227-V326 HydrophobicContact CG-CG2 4.05Å; T324-V326 PolarHBondContact O-N 3.47Å; V326-P328 WeakPolarHBondContact O-CD 3.17Å; V326-L339 HydrophobicContact CG1-CD1 3.93Å; V326-L339 HydrophobicContact CG1-CG 4.42Å
327	K	63.6	Low	52.4	Low	26 Å²	26	76.4 Å²	76.4	11%	0.113	37%	0.372	C	S	.	.			trans	-89.7	111.6	169.4	-74.7	-168	173.5	-173.9	0	110.6	D167 D169 Y185 Q188 H325	D167-K327 WeakPolarHBondContact O-CE 3.3Å; D167-K327 PolarHBondContact O-NZ 3.37Å; D167-K327 WeakPolarHBondContact OD1-CE 3.28Å; D167-K327 IonicContact OD1-NZ 2.72Å; D169-K327 IonicContact OD1-NZ 3.35Å; D169-K327 PolarHBondContact OD1-NZ 2.99Å; D169-K327 IonicContact OD2-NZ 3.15Å; Y185-K327 HydrophobicContact CE2-CB 3.86Å; Y185-K327 PolarHBondContact OH-O 3.4Å; Q188-K327 VanDerWaalsContact CD-NZ 3.32Å; H325-K327 PolarHBondContact O-N 3.19Å; H325-K327 VanDerWaalsContact O-N 3.08Å
328	P	58.7	Low	50.8	Low	18 Å²	18	81.7 Å²	81.7	12%	0.117	39%	0.391	C	S	.	.			trans	-62.1	143	173.1	23.2	-30	0	0	0	110.5	V326 Y337	V326-P328 WeakPolarHBondContact O-CD 3.17Å; P328-Y337 HydrophobicContact CB-CD1 3.15Å; P328-Y337 HydrophobicContact CB-CE1 3.49Å; P328-Y337 VanDerWaalsContact CB-CE1 3.49Å; P328-Y337 HydrophobicContact CB-CG 4Å; P328-Y337 HydrophobicContact CG-CD1 4.17Å; P328-Y337 HydrophobicContact CG-CE1 4.05Å
329	F	60.6	Low	49.2	Very low	55 Å²	55	78.5 Å²	78.5	24%	0.241	38%	0.379	C	S	.	.			trans	-58.4	131.9	172.7	179.9	-112.2	0	0	0	109.7	Y185 W186 I331	Y185-F329 AromaticContact CD1-CD2 3.93Å; Y185-F329 HydrophobicContact CD1-CD2 3.93Å; Y185-F329 HydrophobicContact CD1-CE2 4.42Å; Y185-F329 AromaticContact CE1-CD2 3.71Å; Y185-F329 HydrophobicContact CE1-CD2 3.71Å; W186-F329 AromaticContact CE2-CE2 3.7Å; W186-F329 HydrophobicContact CH2-CD2 4.46Å; W186-F329 AromaticContact CZ2-CD2 3.77Å; W186-F329 HydrophobicContact CZ2-CD2 3.77Å; W186-F329 AromaticContact CZ2-CE2 3.55Å; W186-F329 HydrophobicContact CZ2-CE2 3.55Å; W186-F329 HydrophobicContact CZ2-CZ 4.37Å; W186-F329 AromaticContact NE1-CE2 3.52Å; F329-I331 HydrophobicContact CD1-CD1 4.06Å; F329-I331 HydrophobicContact CD1-CG1 3.37Å; F329-I331 HydrophobicContact CE1-CG1 3.82Å; F329-I331 HydrophobicContact CG-CG1 4.44Å; F329-I331 PolarHBondContact O-N 3.29Å
330	P	54	Low	47.9	Very low	48 Å²	48	82.4 Å²	82.4	31%	0.312	39%	0.39	S	S	.	.			trans	-65.4	106.3	172.5	24.2	-30.7	0	0	0	109.1	E182	E182-P330 HydrophobicContact CG-CG 4.36Å
331	I	50.7	Low	46.4	Very low	68 Å²	68	84.2 Å²	84.2	35%	0.349	41%	0.407	S	S	.	.			trans	-110.3	135.1	166.1	-50.9	175.8	0	0	0	106.6	F329 N333 Y336 Y338	F329-I331 HydrophobicContact CD1-CD1 4.06Å; F329-I331 HydrophobicContact CD1-CG1 3.37Å; F329-I331 HydrophobicContact CE1-CG1 3.82Å; F329-I331 HydrophobicContact CG-CG1 4.44Å; F329-I331 PolarHBondContact O-N 3.29Å; I331-N333 VanDerWaalsContact CG2-O 3.26Å; I331-N333 WeakPolarHBondContact CG2-O 3.44Å; I331-N333 PolarHBondContact O-N 3.18Å; I331-Y336 WeakPolarHBondContact CD1-O 3.35Å; I331-Y338 HydrophobicContact CD1-CD2 4.35Å
332	E	47.8	Very low	45.3	Very low	190 Å²	190	79 Å²	79	89%	0.888	39%	0.392	S	S	*	.	S	Bend	trans	-59.4	-25.9	176.1	-66	-175.9	158.7	0	0	112.8
333	N	37.5	Very low	44.2	Very low	120 Å²	120	79 Å²	79	64%	0.642	40%	0.395	S	S	*	.	S	Bend	trans	-119.8	119.6	179.7	-69.1	-32.6	0	0	0	109.1	I331 Q335	I331-N333 VanDerWaalsContact CG2-O 3.26Å; I331-N333 WeakPolarHBondContact CG2-O 3.44Å; I331-N333 PolarHBondContact O-N 3.18Å; N333-Q335 PolarHBondContact O-N 3.36Å
334	N	36	Very low	43.2	Very low	139 Å²	139	81.6 Å²	81.6	74%	0.743	42%	0.422	S	S	*	.			trans	-63.3	37	-169.7	-131.7	9.7	0	0	0	115.5	Y337	N334-Y337 PolarHBondContact OD1-OH 2.66Å
335	Q	32.7	Very low	41.8	Very low	143 Å²	143	88.1 Å²	88.1	67%	0.668	46%	0.455	S	S	*	.	S	Bend	trans	-118.9	111.9	-176.7	-66	-170.3	-11.6	0	0	109.4	N333	N333-Q335 PolarHBondContact O-N 3.36Å
336	Y	34.4	Very low	40.5	Very low	154 Å²	154	90.6 Å²	90.6	60%	0.604	48%	0.484	S	S	*	.			trans	74.7	101.4	173.5	-48.4	-78.2	0	0	0	116.3	I331 Y338	I331-Y336 WeakPolarHBondContact CD1-O 3.35Å; Y336-Y338 VanDerWaalsContact O-CD2 3.32Å; Y336-Y338 WeakPolarHBondContact O-CD2 3.33Å; Y336-Y338 PolarHBondContact O-N 3.15Å
337	Y	35.2	Very low	39.3	Very low	90 Å²	90	97.7 Å²	97.7	35%	0.353	52%	0.522	S	S	.	.			trans	-74.7	107.2	169.3	-60.5	-66.2	0	0	0	110.5	L311 P328 N334	L311-Y337 HydrophobicContact CB-CD2 4.25Å; L311-Y337 HydrophobicContact CD1-CD2 4.32Å; L311-Y337 VanDerWaalsContact CD2-CB 3.41Å; L311-Y337 HydrophobicContact CD2-CD1 4.4Å; L311-Y337 HydrophobicContact CD2-CD2 3.48Å; L311-Y337 VanDerWaalsContact CD2-CD2 3.48Å; L311-Y337 HydrophobicContact CD2-CE2 4.28Å; L311-Y337 HydrophobicContact CD2-CG 3.51Å; L311-Y337 HydrophobicContact CG-CD2 4.18Å; P328-Y337 HydrophobicContact CB-CD1 3.15Å; P328-Y337 HydrophobicContact CB-CE1 3.49Å; P328-Y337 VanDerWaalsContact CB-CE1 3.49Å; P328-Y337 HydrophobicContact CB-CG 4Å; P328-Y337 HydrophobicContact CG-CD1 4.17Å; P328-Y337 HydrophobicContact CG-CE1 4.05Å; N334-Y337 PolarHBondContact OD1-OH 2.66Å
338	Y	34.1	Very low	38	Very low	127 Å²	127	98.8 Å²	98.8	50%	0.498	53%	0.533	S	S	.	.			trans	-92.2	111.4	171.1	-62.3	-81.2	0	0	0	109.8	I331 Y336 K340	I331-Y338 HydrophobicContact CD1-CD2 4.35Å; Y336-Y338 VanDerWaalsContact O-CD2 3.32Å; Y336-Y338 WeakPolarHBondContact O-CD2 3.33Å; Y336-Y338 PolarHBondContact O-N 3.15Å; Y338-K340 VanDerWaalsContact C-N 3.34Å; Y338-K340 PolarHBondContact O-N 3.26Å; Y338-K340 VanDerWaalsContact O-N 3.15Å
339	L	36.1	Very low	37.1	Very low	38 Å²	38	101.6 Å²	101.6	20%	0.199	55%	0.546	C	S	.	.			trans	-72.1	95.7	152.7	-91.7	147.5	0	0	0	106.5	P227 T307 V326	P227-L339 HydrophobicContact CB-CD2 4.39Å; T307-L339 HydrophobicContact CG2-CD1 3.55Å; V326-L339 HydrophobicContact CG1-CD1 3.93Å; V326-L339 HydrophobicContact CG1-CG 4.42Å
340	K	32	Very low	36.2	Very low	154 Å²	154	107.8 Å²	107.8	67%	0.67	57%	0.573	S	S	*	*			trans	-92.5	103.6	171.8	-164.3	175.5	-175	-179.3	0	107.3	W186 Y338 S342	W186-K340 HydrophobicContact CH2-CB 4.05Å; W186-K340 HydrophobicContact CH2-CD 4.18Å; Y338-K340 VanDerWaalsContact C-N 3.34Å; Y338-K340 PolarHBondContact O-N 3.26Å; Y338-K340 VanDerWaalsContact O-N 3.15Å; K340-S342 PolarHBondContact O-N 3.26Å
341	S	32.9	Very low	36	Very low	76 Å²	76	107.1 Å²	107.1	53%	0.531	57%	0.567	S	S	.	*			trans	-55.5	126.7	164.3	173.7	0	0	0	0	108	V343	S341-V343 PolarHBondContact O-N 2.78Å; S341-V343 PolarHBondContact OG-N 3.11Å; S341-V343 PolarHBondContact OG-O 2.79Å
342	S	33.5	Very low	36.1	Very low	62 Å²	62	113.6 Å²	113.6	43%	0.434	59%	0.592	S	S	.	*	S	Bend	trans	-69.2	-3.7	176.4	23.2	0	0	0	0	112.8	K340	K340-S342 PolarHBondContact O-N 3.26Å
343	V	31.7	Very low	36.2	Very low	78 Å²	78	106.5 Å²	106.5	47%	0.473	56%	0.562	S	S	.	*	S	Bend	trans	-123.9	107	-179	-173.7	0	0	0	0	110.3	S341	S341-V343 PolarHBondContact O-N 2.78Å; S341-V343 PolarHBondContact OG-N 3.11Å; S341-V343 PolarHBondContact OG-O 2.79Å
344	G	28.6	Very low	37	Very low	65 Å²	65	106.7 Å²	106.7	67%	0.67	56%	0.563	S	S	*	*	S	Bend	trans	85.4	141	159.4	0	0	0	0	0	116.3	G346	G344-G346 PolarHBondContact O-N 3.37Å
345	N	26.1	Very low	38.3	Very low	181 Å²	181	101.1 Å²	101.1	97%	0.968	54%	0.538	S	S	*	.	S	Bend	trans	-54	125.5	174.9	-71.3	-28.2	0	0	0	112.1
346	G	28.4	Very low	40.2	Very low	64 Å²	64	99.2 Å²	99.2	66%	0.66	53%	0.529	S	S	*	.			trans	124.2	130.3	157	0	0	0	0	0	114.6	G344	G344-G346 PolarHBondContact O-N 3.37Å
347	D	29.8	Very low	42.4	Very low	155 Å²	155	91.9 Å²	91.9	83%	0.829	50%	0.501	S	S	*	.			trans	72.3	62.9	164.3	-54.1	-13.9	0	0	0	116.7	L349	D347-L349 PolarHBondContact O-N 2.82Å
348	C	37.5	Very low	44.6	Very low	50 Å²	50	92.9 Å²	92.9	34%	0.338	51%	0.508	S	S	.	.			trans	-48.3	124.6	140.3	-173.7	0	0	0	0	106.2	K350	C348-K350 PolarHBondContact O-N 2.81Å
349	L	40.2	Very low	47.1	Very low	76 Å²	76	91.9 Å²	91.9	40%	0.398	50%	0.503	S	S	.	.			trans	-52.9	84	-178.3	-71.8	168	0	0	0	109.5	E304 T307 D347 L351	E304-L349 HydrophobicContact CG-CD2 4.18Å; T307-L349 HydrophobicContact CG2-CD1 4.25Å; T307-L349 WeakPolarHBondContact OG1-CD1 3.34Å; D347-L349 PolarHBondContact O-N 2.82Å; L349-L351 PolarHBondContact O-N 2.82Å
350	K	41.8	Very low	49.7	Very low	185 Å²	185	90.1 Å²	90.1	80%	0.804	49%	0.494	S	S	*	.			trans	-70.6	87.6	167.8	-75.5	-179	-179.9	177.7	0	103.2	C348 K352	C348-K350 PolarHBondContact O-N 2.81Å; K350-K352 PolarHBondContact O-N 3.37Å
351	L	49.3	Very low	52.5	Low	35 Å²	35	84.5 Å²	84.5	18%	0.183	47%	0.469	C	S	.	.			trans	-51	117.4	167.2	-138.7	94.5	0	0	0	104.6	L300 E304 M308 L349 T353	L300-L351 HydrophobicContact CD1-CD1 4.5Å; L300-L351 HydrophobicContact CD1-CD2 4.28Å; L300-L351 HydrophobicContact CD2-CD1 4.27Å; L300-L351 HydrophobicContact CD2-CD2 4.28Å; L300-L351 HydrophobicContact CD2-CG 4.29Å; E304-L351 HydrophobicContact CB-CD1 4.15Å; M308-L351 HydrophobicContact CE-CD2 3.82Å; M308-L351 HydrophobicContact CG-CD1 3.61Å; M308-L351 HydrophobicContact CG-CD2 3.69Å; M308-L351 HydrophobicContact CG-CG 4.28Å; M308-L351 HydrophobicContact SD-CD1 3.84Å; M308-L351 HydrophobicContact SD-CD2 3.24Å; M308-L351 WeakPolarHBondContact SD-CD2 3.47Å; M308-L351 HydrophobicContact SD-CG 4.02Å; L349-L351 PolarHBondContact O-N 2.82Å; L351-T353 HydrophobicContact CB-CG2 4.35Å; L351-T353 HydrophobicContact CD2-CG2 3.56Å; L351-T353 HydrophobicContact CG-CG2 4.38Å; L351-T353 PolarHBondContact O-N 2.75Å
352	K	52.4	Low	55.4	Low	204 Å²	204	80.9 Å²	80.9	89%	0.887	44%	0.444	S	S	*	.			trans	-73.4	58.5	-176.3	-68.7	-179.1	-179.4	173.9	0	109.3	K350	K350-K352 PolarHBondContact O-N 3.37Å
353	T	49.5	Very low	58.3	Low	40 Å²	40	78 Å²	78	25%	0.245	42%	0.423	C	S	.	.			trans	-88.6	122.4	169.6	56.3	0	0	0	0	106.4	L297 L351 G355 V357	L297-T353 HydrophobicContact CD2-CG2 4.26Å; L351-T353 HydrophobicContact CB-CG2 4.35Å; L351-T353 HydrophobicContact CD2-CG2 3.56Å; L351-T353 HydrophobicContact CG-CG2 4.38Å; L351-T353 PolarHBondContact O-N 2.75Å; T353-G355 VanDerWaalsContact CB-O 3.28Å; T353-G355 WeakPolarHBondContact CB-O 2.84Å; T353-G355 PolarHBondContact O-N 2.71Å; T353-G355 PolarHBondContact OG1-O 3.19Å; T353-V357 HydrophobicContact CG2-CG2 3.95Å
354	N	54.7	Low	61.3	Low	125 Å²	125	74.3 Å²	74.3	67%	0.668	40%	0.401	S	S	*	.	S	Bend	trans	-70.3	43.1	172.5	-66.5	-8.3	0	0	0	111
355	G	63.2	Low	64.3	Low	22 Å²	22	71.3 Å²	71.3	23%	0.227	37%	0.37	C	S	.	.	S	Bend	trans	163.9	166.5	-170.4	0	0	0	0	0	112.6	E285 T353	E285-G355 CarbonylContact O-C 3.47Å; E285-G355 WeakPolarHBondContact O-CA 3.33Å; T353-G355 VanDerWaalsContact CB-O 3.28Å; T353-G355 WeakPolarHBondContact CB-O 2.84Å; T353-G355 PolarHBondContact O-N 2.71Å; T353-G355 PolarHBondContact OG1-O 3.19Å
356	H	73.1	Confident	67.3	Low	102 Å²	102	65.6 Å²	65.6	47%	0.472	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	127.6	178.3	-175.4	-84.8	0	0	0	110	V284 E285 H358	V284-H356 WeakPolarHBondContact CA-O 3.05Å; E285-H356 PolarHBondContact N-O 3.3Å; E285-H356 PolarHBondContact O-N 3.08Å; H356-H358 PolarHBondContact O-N 2.95Å
357	V	81.4	Confident	70.4	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	121.4	176.1	175.6	0	0	0	0	108.8	A282 V284 M308 Y312 T353 L360	A282-V357 HydrophobicContact CB-CG1 4.04Å; V284-V357 HydrophobicContact CG2-CG2 4.3Å; M308-V357 HydrophobicContact CE-CB 4.14Å; M308-V357 HydrophobicContact CE-CG1 3.93Å; M308-V357 HydrophobicContact CE-CG2 3.85Å; Y312-V357 HydrophobicContact CD1-CG1 4.29Å; Y312-V357 HydrophobicContact CD2-CG1 4.28Å; Y312-V357 HydrophobicContact CE1-CB 4.03Å; Y312-V357 HydrophobicContact CE1-CG1 4.26Å; Y312-V357 WeakPolarHBondContact CE1-O 3.18Å; Y312-V357 HydrophobicContact CE2-CB 4.04Å; Y312-V357 HydrophobicContact CE2-CG1 4.26Å; Y312-V357 HydrophobicContact CG-CG1 4.3Å; T353-V357 HydrophobicContact CG2-CG2 3.95Å; V357-L360 HydrophobicContact CG1-CD2 4.35Å
358	H	81.4	Confident	73.4	Confident	111 Å²	111	58.5 Å²	58.5	51%	0.514	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-46.8	-179.9	-174.4	79.4	0	0	0	111.7	D283 H356	D283-H358 PolarHBondContact O-N 3.24Å; H356-H358 PolarHBondContact O-N 2.95Å
359	R	85.5	Confident	76.1	Confident	105 Å²	105	58.1 Å²	58.1	40%	0.396	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	138.8	-177.5	-165.6	-177	89.4	-177.1	4.7	111.4	A282 D283	A282-R359 CarbonylContact C-O 3.48Å; A282-R359 VanDerWaalsContact CA-O 3.3Å; A282-R359 WeakPolarHBondContact CA-O 3.44Å; D283-R359 HydrophobicContact CB-CB 4.34Å; D283-R359 PolarHBondContact N-O 3.07Å; D283-R359 PolarHBondContact O-N 3.31Å
360	L	90	Very high	78.7	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	128.9	165.6	-68.2	-179.3	0	0	0	109.4	V280 A282 M308 L309 A313 V357 Y430	V280-L360 HydrophobicContact CG1-CD2 3.51Å; A282-L360 HydrophobicContact CB-CD2 3.92Å; M308-L360 HydrophobicContact CE-CD2 3.97Å; L309-L360 HydrophobicContact CD2-CD1 4.14Å; A313-L360 HydrophobicContact CB-CD1 4.39Å; V357-L360 HydrophobicContact CG1-CD2 4.35Å; L360-Y430 HydrophobicContact CB-CE1 4.13Å; L360-Y430 VanDerWaalsContact CB-OH 3.27Å; L360-Y430 WeakPolarHBondContact CB-OH 3.4Å; L360-Y430 PolarHBondContact O-OH 2.91Å
361	R	91.4	Very high	81.1	Confident	37 Å²	37	52.6 Å²	52.6	14%	0.14	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-40.1	179	-69.3	-169.9	170	-137.4	5	112.2	L281 D283 T294 E402 E406 E422 Y423	L281-R361 HydrophobicContact CB-CB 4.38Å; L281-R361 HydrophobicContact CD2-CB 3.83Å; L281-R361 HydrophobicContact CG-CB 3.99Å; L281-R361 PolarHBondContact O-N 2.98Å; D283-R361 IonicContact OD1-CZ 2.76Å; D283-R361 IonicContact OD1-NE 2.86Å; D283-R361 PolarHBondContact OD1-NE 3.46Å; D283-R361 IonicContact OD1-NH2 2.95Å; D283-R361 PolarHBondContact OD1-NH2 3.4Å; D283-R361 VanDerWaalsContact OD1-NH2 3.15Å; D283-R361 IonicContact OD2-CZ 2.7Å; D283-R361 IonicContact OD2-NE 3.75Å; D283-R361 PolarHBondContact OD2-NE 3.05Å; D283-R361 IonicContact OD2-NH2 3.12Å; D283-R361 PolarHBondContact OD2-NH2 3.04Å; T294-R361 PolarHBondContact OG1-NE 3.27Å; T294-R361 PolarHBondContact OG1-NH2 3.18Å; R361-E402 PolarHBondContact NH1-O 3.47Å; R361-E406 WeakPolarHBondContact CD-OE1 3.2Å; R361-E406 IonicContact NH1-OE1 3.32Å; R361-E406 PolarHBondContact NH1-OE1 3.15Å; R361-E406 IonicContact NH1-OE2 2.75Å; R361-E422 WeakPolarHBondContact O-CA 3.4Å; R361-Y423 PolarHBondContact O-N 3.49Å
362	G	93.7	Very high	83.3	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.4	173.2	178.4	0	0	0	0	0	112.2	L281 Y421	L281-G362 PolarHBondContact N-O 3.42Å; L281-G362 PolarHBondContact O-N 2.83Å; G362-Y421 CarbonylContact C-O 3.5Å; G362-Y421 WeakPolarHBondContact CA-O 3.42Å
363	F	95	Very high	85.3	Confident	1 Å²	1	45.2 Å²	45.2	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	158.1	-178.9	55.9	-93.8	0	0	0	112.4	Y278 I279 V280 F305 L309 F320 Y421 Y430	Y278-F363 HydrophobicContact CD1-CD2 4.39Å; I279-F363 CarbonylContact O-C 3.58Å; I279-F363 WeakPolarHBondContact O-CA 3.31Å; I279-F363 VanDerWaalsContact O-CB 3.31Å; I279-F363 WeakPolarHBondContact O-CB 3.48Å; V280-F363 HydrophobicContact CG2-CB 4.05Å; F305-F363 HydrophobicContact CE1-CD2 4.47Å; F305-F363 HydrophobicContact CE1-CE2 4.33Å; F305-F363 HydrophobicContact CE2-CB 3.9Å; F305-F363 AromaticContact CE2-CD1 3.83Å; F305-F363 HydrophobicContact CE2-CD1 3.83Å; F305-F363 AromaticContact CE2-CD2 3.8Å; F305-F363 HydrophobicContact CE2-CD2 3.8Å; F305-F363 HydrophobicContact CE2-CE1 4.29Å; F305-F363 HydrophobicContact CE2-CE2 4.26Å; F305-F363 AromaticContact CE2-CG 3.56Å; F305-F363 HydrophobicContact CE2-CG 3.56Å; F305-F363 HydrophobicContact CE2-CZ 4.48Å; F305-F363 HydrophobicContact CZ-CB 4.44Å; F305-F363 AromaticContact CZ-CD1 3.89Å; F305-F363 HydrophobicContact CZ-CD1 3.89Å; F305-F363 AromaticContact CZ-CD2 3.45Å; F305-F363 HydrophobicContact CZ-CD2 3.45Å; F305-F363 VanDerWaalsContact CZ-CD2 3.45Å; F305-F363 AromaticContact CZ-CE1 3.93Å; F305-F363 HydrophobicContact CZ-CE1 3.93Å; F305-F363 AromaticContact CZ-CE2 3.48Å; F305-F363 HydrophobicContact CZ-CE2 3.48Å; F305-F363 VanDerWaalsContact CZ-CE2 3.48Å; F305-F363 AromaticContact CZ-CG 3.66Å; F305-F363 HydrophobicContact CZ-CG 3.66Å; F305-F363 AromaticContact CZ-CZ 3.73Å; F305-F363 HydrophobicContact CZ-CZ 3.73Å; L309-F363 HydrophobicContact CD2-CE1 3.99Å; F320-F363 HydrophobicContact CD2-CZ 4.37Å; F320-F363 HydrophobicContact CE1-CE2 4.42Å; F320-F363 HydrophobicContact CE2-CE2 4.2Å; F320-F363 AromaticContact CE2-CZ 3.64Å; F320-F363 HydrophobicContact CE2-CZ 3.64Å; F320-F363 AromaticContact CZ-CE2 3.79Å; F320-F363 HydrophobicContact CZ-CE2 3.79Å; F320-F363 AromaticContact CZ-CZ 3.72Å; F320-F363 HydrophobicContact CZ-CZ 3.72Å; F363-Y421 AromaticContact CD2-CD2 3.97Å; F363-Y421 HydrophobicContact CD2-CD2 3.97Å; F363-Y421 HydrophobicContact CD2-CG 4.41Å; F363-Y421 AromaticContact CE2-CD2 3.46Å; F363-Y421 HydrophobicContact CE2-CD2 3.46Å; F363-Y421 VanDerWaalsContact CE2-CD2 3.46Å; F363-Y421 HydrophobicContact CE2-CE2 4.38Å; F363-Y421 AromaticContact CE2-CG 3.7Å; F363-Y421 HydrophobicContact CE2-CG 3.7Å; F363-Y421 HydrophobicContact CZ-CD2 4.22Å; F363-Y421 AromaticContact CZ-CG 3.98Å; F363-Y421 HydrophobicContact CZ-CG 3.98Å; F363-Y421 PolarHBondContact N-O 2.9Å; F363-Y421 PolarHBondContact O-N 2.91Å; F363-Y430 HydrophobicContact CD1-CD1 4.17Å; F363-Y430 AromaticContact CE1-CD1 3.71Å; F363-Y430 HydrophobicContact CE1-CD1 3.71Å; F363-Y430 HydrophobicContact CE1-CE1 4.45Å; F363-Y430 AromaticContact CE1-CG 3.9Å; F363-Y430 HydrophobicContact CE1-CG 3.9Å
364	S	94.2	Very high	87.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.8	175.2	-162.1	0	0	0	0	110.4	Y278 I279 M367 S413 T418 S419	Y278-S364 WeakPolarHBondContact CA-O 3.46Å; I279-S364 PolarHBondContact N-O 3.27Å; I279-S364 PolarHBondContact O-N 3.36Å; S364-M367 WeakPolarHBondContact O-CE 3.45Å; S364-S413 PolarHBondContact OG-OG 3.2Å; S364-T418 PolarHBondContact OG-OG1 3.37Å; S364-S419 WeakPolarHBondContact CA-O 3.28Å; S364-S419 PolarHBondContact OG-O 2.7Å
365	G	91	Very high	89.2	Confident	3 Å²	3	41.4 Å²	41.4	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146	-176.7	177.9	0	0	0	0	0	113
366	P	90.5	Very high	90.7	Very high	61 Å²	61	44.1 Å²	44.1	40%	0.396	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-71	142.6	-1.6	27.8	-32.5	0	0	0	112.4	E276 Y278	E276-P366 HydrophobicContact CB-CB 4.03Å; E276-P366 HydrophobicContact CG-CB 3.74Å; Y278-P366 HydrophobicContact CE1-CB 4.26Å; Y278-P366 HydrophobicContact CE2-CB 4.29Å
367	M	93.1	Very high	91.6	Very high	13 Å²	13	42.4 Å²	42.4	6%	0.064	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	163.9	172	69.4	-169.8	83.2	0	0	110.5	E276 S277 I279 S364 I371 A372 F375 T418	E276-M367 WeakPolarHBondContact CA-O 3.5Å; S277-M367 PolarHBondContact N-O 3.4Å; S277-M367 PolarHBondContact O-N 3.46Å; S277-M367 VanDerWaalsContact O-N 3.08Å; I279-M367 HydrophobicContact CG1-CE 4.44Å; S364-M367 WeakPolarHBondContact O-CE 3.45Å; M367-I371 HydrophobicContact CB-CG2 4.36Å; M367-I371 HydrophobicContact CG-CB 4.48Å; M367-I371 HydrophobicContact CG-CG2 4.4Å; M367-I371 HydrophobicContact SD-CG2 4.01Å; M367-A372 HydrophobicContact CG-CB 3.8Å; M367-A372 VanDerWaalsContact SD-CA 3.57Å; M367-A372 HydrophobicContact SD-CB 3.89Å; M367-F375 HydrophobicContact CE-CD2 4.26Å; M367-F375 HydrophobicContact SD-CB 4.33Å; M367-F375 HydrophobicContact SD-CD2 4.27Å; M367-T418 HydrophobicContact CB-CG2 3.97Å; M367-T418 HydrophobicContact CE-CG2 3.87Å; M367-T418 HydrophobicContact SD-CG2 4.3Å
368	L	93.3	Very high	92	Very high	57 Å²	57	43.2 Å²	43.2	30%	0.298	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	151.4	175.7	-67.8	173.2	0	0	0	111.3	Q272 D275 N370 I371 A372	Q272-L368 HydrophobicContact CB-CD2 4.42Å; Q272-L368 HydrophobicContact CG-CD2 3.96Å; D275-L368 HydrophobicContact CB-CD2 4.11Å; D275-L368 WeakPolarHBondContact OD2-CD2 3.33Å; L368-N370 VanDerWaalsContact C-N 3.31Å; L368-N370 WeakPolarHBondContact CB-OD1 3.22Å; L368-N370 PolarHBondContact O-N 2.98Å; L368-I371 HydrophobicContact CB-CB 4.45Å; L368-I371 HydrophobicContact CB-CD1 4.06Å; L368-I371 HydrophobicContact CB-CG1 4.13Å; L368-I371 HydrophobicContact CD1-CD1 4.15Å; L368-I371 HydrophobicContact CG-CD1 4.39Å; L368-I371 PolarHBondContact O-N 3.1Å; L368-I371 VanDerWaalsContact O-N 3.09Å; L368-A372 PolarHBondContact O-N 3.05Å
369	S	93.5	Very high	92.5	Very high	42 Å²	42	38 Å²	38	29%	0.294	20%	0.197	S	C	.	.	H	α-helix	trans	-59.4	-42.2	-175	-171.3	0	0	0	0	112.5	D275 S277 I371 A372 V373	D275-S369 PolarHBondContact O-N 3.15Å; D275-S369 VanDerWaalsContact O-N 3.16Å; D275-S369 WeakPolarHBondContact OD1-CB 3.36Å; D275-S369 PolarHBondContact OD2-N 3.03Å; S277-S369 WeakPolarHBondContact OG-CA 3.43Å; S369-I371 PolarHBondContact O-N 3.21Å; S369-A372 PolarHBondContact O-N 3.48Å; S369-V373 WeakPolarHBondContact O-CG2 3.37Å; S369-V373 PolarHBondContact O-N 2.8Å
370	N	93.7	Very high	92.8	Very high	102 Å²	102	35.7 Å²	35.7	55%	0.545	19%	0.193	S	C	.	.	H	α-helix	trans	-62.5	-40.7	176.3	68.1	-39.6	0	0	0	112.7	L368 V373 E374	L368-N370 VanDerWaalsContact C-N 3.31Å; L368-N370 WeakPolarHBondContact CB-OD1 3.22Å; L368-N370 PolarHBondContact O-N 2.98Å; N370-V373 PolarHBondContact O-N 3.19Å; N370-E374 PolarHBondContact O-N 2.8Å; N370-E374 VanDerWaalsContact O-N 3.08Å
371	I	93.8	Very high	92.6	Very high	43 Å²	43	40.5 Å²	40.5	22%	0.221	22%	0.215	C	C	.	.	H	α-helix	trans	-66.2	-40.7	177.4	-61.5	177.5	0	0	0	109.9	M367 L368 S369 V373 E374 F375 F416	M367-I371 HydrophobicContact CB-CG2 4.36Å; M367-I371 HydrophobicContact CG-CB 4.48Å; M367-I371 HydrophobicContact CG-CG2 4.4Å; M367-I371 HydrophobicContact SD-CG2 4.01Å; L368-I371 HydrophobicContact CB-CB 4.45Å; L368-I371 HydrophobicContact CB-CD1 4.06Å; L368-I371 HydrophobicContact CB-CG1 4.13Å; L368-I371 HydrophobicContact CD1-CD1 4.15Å; L368-I371 HydrophobicContact CG-CD1 4.39Å; L368-I371 PolarHBondContact O-N 3.1Å; L368-I371 VanDerWaalsContact O-N 3.09Å; S369-I371 PolarHBondContact O-N 3.21Å; I371-V373 PolarHBondContact O-N 3.39Å; I371-E374 PolarHBondContact O-N 3.34Å; I371-F375 VanDerWaalsContact O-CB 3.32Å; I371-F375 WeakPolarHBondContact O-CB 3.29Å; I371-F375 PolarHBondContact O-N 3.03Å; I371-F416 HydrophobicContact CG2-CD1 3.7Å; I371-F416 HydrophobicContact CG2-CE1 4.23Å
372	A	94.5	Very high	92.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-42.7	176.7	0	0	0	0	0	111.9	I279 P299 M367 L368 S369 E374 F375 R376	I279-A372 HydrophobicContact CD1-CB 3.93Å; I279-A372 WeakPolarHBondContact CD1-O 3.37Å; I279-A372 HydrophobicContact CG1-CB 4.19Å; P299-A372 HydrophobicContact CB-CB 3.83Å; P299-A372 HydrophobicContact CG-CB 4.12Å; M367-A372 HydrophobicContact CG-CB 3.8Å; M367-A372 VanDerWaalsContact SD-CA 3.57Å; M367-A372 HydrophobicContact SD-CB 3.89Å; L368-A372 PolarHBondContact O-N 3.05Å; S369-A372 PolarHBondContact O-N 3.48Å; A372-E374 PolarHBondContact O-N 3.08Å; A372-F375 WeakPolarHBondContact O-CB 3.06Å; A372-F375 PolarHBondContact O-N 2.92Å; A372-R376 PolarHBondContact O-N 3.03Å
373	V	94.4	Very high	91.8	Very high	83 Å²	83	40.6 Å²	40.6	50%	0.503	22%	0.217	S	C	.	.	H	α-helix	trans	-59.5	-46.6	174.7	173.4	0	0	0	0	110.9	P299 S369 N370 I371 R376 S377	P299-V373 HydrophobicContact CG-CG2 3.94Å; S369-V373 WeakPolarHBondContact O-CG2 3.37Å; S369-V373 PolarHBondContact O-N 2.8Å; N370-V373 PolarHBondContact O-N 3.19Å; I371-V373 PolarHBondContact O-N 3.39Å; V373-R376 PolarHBondContact O-N 3.34Å; V373-S377 WeakPolarHBondContact O-CB 3.43Å; V373-S377 PolarHBondContact O-N 3.18Å
374	E	93.5	Very high	91.2	Very high	86 Å²	86	41.8 Å²	41.8	40%	0.402	23%	0.227	S	C	.	.	H	α-helix	trans	-63.2	-44.8	177.5	-169.7	-173.7	166.5	0	0	112	N370 I371 A372 R376 S377 K378 F416	N370-E374 PolarHBondContact O-N 2.8Å; N370-E374 VanDerWaalsContact O-N 3.08Å; I371-E374 PolarHBondContact O-N 3.34Å; A372-E374 PolarHBondContact O-N 3.08Å; E374-R376 VanDerWaalsContact C-N 3.33Å; E374-R376 PolarHBondContact O-N 3.31Å; E374-S377 PolarHBondContact O-N 2.79Å; E374-K378 PolarHBondContact O-N 3.1Å; E374-K378 WeakPolarHBondContact OE1-CE 3.47Å; E374-K378 IonicContact OE1-NZ 3.69Å; E374-K378 PolarHBondContact OE1-NZ 2.99Å; E374-F416 HydrophobicContact CB-CE1 4.27Å; E374-F416 HydrophobicContact CG-CE1 4.14Å; E374-F416 HydrophobicContact CG-CZ 4.15Å
375	F	94	Very high	90.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-52.9	-51.9	176	-173.6	-68.4	0	0	0	110.8	I279 M367 I371 A372 K378 W379 L412 F416	I279-F375 HydrophobicContact CB-CD1 4.27Å; I279-F375 HydrophobicContact CB-CE1 4.43Å; I279-F375 HydrophobicContact CG1-CB 4.36Å; I279-F375 HydrophobicContact CG1-CD1 3.92Å; I279-F375 HydrophobicContact CG1-CG 4.26Å; I279-F375 HydrophobicContact CG2-CD1 4.09Å; I279-F375 HydrophobicContact CG2-CE1 4.11Å; M367-F375 HydrophobicContact CE-CD2 4.26Å; M367-F375 HydrophobicContact SD-CB 4.33Å; M367-F375 HydrophobicContact SD-CD2 4.27Å; I371-F375 VanDerWaalsContact O-CB 3.32Å; I371-F375 WeakPolarHBondContact O-CB 3.29Å; I371-F375 PolarHBondContact O-N 3.03Å; A372-F375 WeakPolarHBondContact O-CB 3.06Å; A372-F375 PolarHBondContact O-N 2.92Å; F375-K378 PolarHBondContact O-N 3.24Å; F375-W379 HydrophobicContact CD1-CE3 4.1Å; F375-W379 HydrophobicContact CE1-CD2 4.44Å; F375-W379 AromaticContact CE1-CE3 3.49Å; F375-W379 HydrophobicContact CE1-CE3 3.49Å; F375-W379 VanDerWaalsContact CE1-CE3 3.49Å; F375-W379 AromaticContact CE1-CZ3 3.77Å; F375-W379 HydrophobicContact CE1-CZ3 3.77Å; F375-W379 WeakPolarHBondContact O-CB 3.46Å; F375-W379 PolarHBondContact O-N 3.27Å; F375-L412 HydrophobicContact CD2-CB 4.49Å; F375-L412 HydrophobicContact CE1-CB 3.88Å; F375-L412 HydrophobicContact CE1-CD1 4.13Å; F375-L412 HydrophobicContact CE2-CB 3.74Å; F375-L412 HydrophobicContact CZ-CB 3.37Å; F375-L412 HydrophobicContact CZ-CD1 4.45Å; F375-F416 VanDerWaalsContact CA-CZ 3.46Å; F375-F416 HydrophobicContact CB-CD1 4.47Å; F375-F416 HydrophobicContact CB-CD2 4.34Å; F375-F416 HydrophobicContact CB-CE1 4.27Å; F375-F416 HydrophobicContact CB-CE2 4.15Å; F375-F416 HydrophobicContact CB-CG 4.5Å; F375-F416 HydrophobicContact CB-CZ 4.1Å; F375-F416 HydrophobicContact CD2-CB 3.84Å; F375-F416 HydrophobicContact CD2-CD1 4.3Å; F375-F416 AromaticContact CD2-CD2 3.4Å; F375-F416 HydrophobicContact CD2-CD2 3.4Å; F375-F416 VanDerWaalsContact CD2-CD2 3.4Å; F375-F416 AromaticContact CD2-CE2 3.97Å; F375-F416 HydrophobicContact CD2-CE2 3.97Å; F375-F416 AromaticContact CD2-CG 3.58Å; F375-F416 HydrophobicContact CD2-CG 3.58Å; F375-F416 HydrophobicContact CE2-CB 4.19Å; F375-F416 AromaticContact CE2-CD2 3.95Å; F375-F416 HydrophobicContact CE2-CD2 3.95Å; F375-F416 HydrophobicContact CE2-CG 4.27Å; F375-F416 HydrophobicContact CG-CD2 4.09Å; F375-F416 HydrophobicContact CG-CE2 4.2Å; F375-F416 HydrophobicContact CG-CG 4.44Å
376	R	94.2	Very high	89.2	Confident	78 Å²	78	53.6 Å²	53.6	29%	0.294	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-44	179.1	-177.5	178.4	-177.9	-87.4	-3.4	111.6	I279 I296 L297 A372 V373 E374 K378 W379 L380	I279-R376 HydrophobicContact CD1-CB 4.03Å; I296-R376 HydrophobicContact CG2-CG 4.05Å; I296-R376 PolarHBondContact O-NE 3.32Å; L297-R376 WeakPolarHBondContact O-CD 3.44Å; L297-R376 PolarHBondContact O-NE 2.98Å; A372-R376 PolarHBondContact O-N 3.03Å; V373-R376 PolarHBondContact O-N 3.34Å; E374-R376 VanDerWaalsContact C-N 3.33Å; E374-R376 PolarHBondContact O-N 3.31Å; R376-K378 PolarHBondContact O-N 3.32Å; R376-W379 PolarHBondContact O-N 3.07Å; R376-L380 HydrophobicContact CG-CD1 4.13Å; R376-L380 WeakPolarHBondContact O-CG 3.32Å; R376-L380 PolarHBondContact O-N 3.18Å
377	S	92.4	Very high	88	Confident	67 Å²	67	51.8 Å²	51.8	47%	0.469	29%	0.286	S	S	.	.	H	α-helix	trans	-57.8	-48.9	178.9	-173.4	0	0	0	0	111.2	V373 E374 W379 L380 Q381	V373-S377 WeakPolarHBondContact O-CB 3.43Å; V373-S377 PolarHBondContact O-N 3.18Å; E374-S377 PolarHBondContact O-N 2.79Å; S377-W379 PolarHBondContact O-N 2.86Å; S377-L380 PolarHBondContact O-N 2.76Å; S377-Q381 VanDerWaalsContact O-CB 3.31Å; S377-Q381 WeakPolarHBondContact O-CB 3.4Å; S377-Q381 PolarHBondContact O-N 3.38Å
378	K	89.6	Confident	86.5	Confident	18 Å²	18	58.2 Å²	58.2	8%	0.078	33%	0.325	C	S	.	.	H	α-helix	trans	-64.4	-39.7	177.5	-69.1	-168.1	-173.7	168.3	0	112.2	E374 F375 R376 L380 Q381 Y382 F416 L717	E374-K378 PolarHBondContact O-N 3.1Å; E374-K378 WeakPolarHBondContact OE1-CE 3.47Å; E374-K378 IonicContact OE1-NZ 3.69Å; E374-K378 PolarHBondContact OE1-NZ 2.99Å; F375-K378 PolarHBondContact O-N 3.24Å; R376-K378 PolarHBondContact O-N 3.32Å; K378-L380 VanDerWaalsContact C-N 3.33Å; K378-L380 PolarHBondContact O-N 3.03Å; K378-Q381 PolarHBondContact O-N 3.29Å; K378-Y382 HydrophobicContact CB-CD2 4.49Å; K378-Y382 HydrophobicContact CB-CE2 4Å; K378-Y382 VanDerWaalsContact O-CD2 3.24Å; K378-Y382 WeakPolarHBondContact O-CD2 3.45Å; K378-Y382 VanDerWaalsContact O-CG 3.23Å; K378-Y382 PolarHBondContact O-N 3.45Å; K378-F416 HydrophobicContact CD-CE2 4.3Å; K378-F416 HydrophobicContact CD-CZ 3.92Å; K378-L717 HydrophobicContact CD-CD1 3.6Å; K378-L717 HydrophobicContact CD-CG 4.39Å
379	W	91.9	Very high	85	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60	-44.2	176.2	-160.7	-10	0	0	0	112.1	I279 L281 I296 F375 R376 S377 N383 F393 Y405 Q408 L412 W420	I279-W379 HydrophobicContact CG2-CE3 4.16Å; I279-W379 HydrophobicContact CG2-CZ3 3.97Å; L281-W379 HydrophobicContact CB-CH2 4.44Å; L281-W379 HydrophobicContact CD1-CH2 4.33Å; L281-W379 HydrophobicContact CD1-CZ2 4.4Å; I296-W379 HydrophobicContact CD1-CB 4.15Å; I296-W379 HydrophobicContact CD1-CD2 3.47Å; I296-W379 VanDerWaalsContact CD1-CD2 3.47Å; I296-W379 HydrophobicContact CD1-CE3 4.05Å; I296-W379 HydrophobicContact CD1-CG 3.48Å; I296-W379 VanDerWaalsContact CD1-CG 3.48Å; I296-W379 HydrophobicContact CD1-CZ2 4.39Å; I296-W379 HydrophobicContact CG1-CD2 3.93Å; I296-W379 HydrophobicContact CG1-CE3 4.06Å; I296-W379 HydrophobicContact CG1-CG 4.43Å; I296-W379 HydrophobicContact CG1-CH2 4.48Å; I296-W379 HydrophobicContact CG1-CZ2 4.31Å; I296-W379 HydrophobicContact CG1-CZ3 4.36Å; I296-W379 HydrophobicContact CG2-CD2 4.38Å; I296-W379 HydrophobicContact CG2-CE3 3.83Å; I296-W379 HydrophobicContact CG2-CZ3 4.25Å; F375-W379 HydrophobicContact CD1-CE3 4.1Å; F375-W379 HydrophobicContact CE1-CD2 4.44Å; F375-W379 AromaticContact CE1-CE3 3.49Å; F375-W379 HydrophobicContact CE1-CE3 3.49Å; F375-W379 VanDerWaalsContact CE1-CE3 3.49Å; F375-W379 AromaticContact CE1-CZ3 3.77Å; F375-W379 HydrophobicContact CE1-CZ3 3.77Å; F375-W379 WeakPolarHBondContact O-CB 3.46Å; F375-W379 PolarHBondContact O-N 3.27Å; R376-W379 PolarHBondContact O-N 3.07Å; S377-W379 PolarHBondContact O-N 2.86Å; W379-N383 VanDerWaalsContact CD1-ND2 3.28Å; W379-N383 PolarHBondContact O-N 3.35Å; W379-N383 PolarHBondContact O-ND2 2.98Å; W379-N383 VanDerWaalsContact O-ND2 3.11Å; W379-F393 AromaticContact CD1-CE1 3.96Å; W379-Y405 WeakPolarHBondContact CZ2-O 3.4Å; W379-Q408 HydrophobicContact CZ2-CB 4.15Å; W379-L412 HydrophobicContact CB-CD1 3.42Å; W379-L412 VanDerWaalsContact CB-CD1 3.42Å; W379-L412 HydrophobicContact CD2-CD1 3.61Å; W379-L412 HydrophobicContact CE3-CD1 4.12Å; W379-L412 HydrophobicContact CG-CD1 3.3Å; W379-W420 AromaticContact CH2-CH2 3.63Å; W379-W420 HydrophobicContact CH2-CH2 3.63Å; W379-W420 HydrophobicContact CH2-CZ2 4.48Å; W379-W420 AromaticContact CH2-CZ3 3.95Å; W379-W420 HydrophobicContact CH2-CZ3 3.95Å; W379-W420 HydrophobicContact CZ3-CH2 4.14Å; W379-W420 HydrophobicContact CZ3-CZ3 4.05Å
380	L	90.4	Very high	83.3	Confident	58 Å²	58	59.6 Å²	59.6	30%	0.304	33%	0.326	S	S	.	.	H	α-helix	trans	-68	-43.9	176.5	-67.1	173.7	0	0	0	111.6	I296 R376 S377 K378 Y382 N383 A384	I296-L380 HydrophobicContact CD1-CD2 3.99Å; R376-L380 HydrophobicContact CG-CD1 4.13Å; R376-L380 WeakPolarHBondContact O-CG 3.32Å; R376-L380 PolarHBondContact O-N 3.18Å; S377-L380 PolarHBondContact O-N 2.76Å; K378-L380 VanDerWaalsContact C-N 3.33Å; K378-L380 PolarHBondContact O-N 3.03Å; L380-Y382 PolarHBondContact O-N 2.97Å; L380-N383 CarbonylContact O-C 3.41Å; L380-N383 PolarHBondContact O-N 3Å; L380-N383 VanDerWaalsContact O-N 3.15Å; L380-A384 PolarHBondContact O-N 2.9Å; L380-A384 VanDerWaalsContact O-N 3.14Å
381	Q	86.3	Confident	82	Confident	102 Å²	102	62.8 Å²	62.8	48%	0.477	34%	0.335	S	S	.	.	H	α-helix	trans	-59.2	-46.2	178.9	-176.1	-176.9	1	0	0	112.1	S377 K378 N383 A384 A387	S377-Q381 VanDerWaalsContact O-CB 3.31Å; S377-Q381 WeakPolarHBondContact O-CB 3.4Å; S377-Q381 PolarHBondContact O-N 3.38Å; K378-Q381 PolarHBondContact O-N 3.29Å; Q381-N383 PolarHBondContact O-N 2.73Å; Q381-A384 VanDerWaalsContact O-CB 3.29Å; Q381-A384 WeakPolarHBondContact O-CB 3.45Å; Q381-A384 PolarHBondContact O-N 3.3Å; Q381-A387 WeakPolarHBondContact O-CB 3.06Å
382	Y	84.2	Confident	80.9	Confident	22 Å²	22	63.9 Å²	63.9	9%	0.086	35%	0.346	C	S	.	.	H	α-helix	trans	-68.2	-20.6	179.2	-61.6	-30.5	0	0	0	113.6	K378 L380 F393 L412 F712 P714 L717	K378-Y382 HydrophobicContact CB-CD2 4.49Å; K378-Y382 HydrophobicContact CB-CE2 4Å; K378-Y382 VanDerWaalsContact O-CD2 3.24Å; K378-Y382 WeakPolarHBondContact O-CD2 3.45Å; K378-Y382 VanDerWaalsContact O-CG 3.23Å; K378-Y382 PolarHBondContact O-N 3.45Å; L380-Y382 PolarHBondContact O-N 2.97Å; Y382-F393 HydrophobicContact CD2-CE1 4.46Å; Y382-F393 HydrophobicContact CD2-CZ 4.41Å; Y382-L412 HydrophobicContact CD2-CD2 4.19Å; Y382-L412 HydrophobicContact CE2-CD2 4Å; Y382-F712 HydrophobicContact CD1-CZ 4.38Å; Y382-F712 HydrophobicContact CD2-CE1 4.41Å; Y382-F712 HydrophobicContact CD2-CZ 4.19Å; Y382-F712 HydrophobicContact CE2-CE1 4.44Å; Y382-F712 HydrophobicContact CE2-CZ 4.44Å; Y382-F712 HydrophobicContact CG-CZ 4.16Å; Y382-P714 HydrophobicContact CE1-CB 4.23Å; Y382-P714 HydrophobicContact CE2-CG 4.39Å; Y382-P714 WeakPolarHBondContact OH-CB 3.39Å; Y382-P714 VanDerWaalsContact OH-CG 3.32Å; Y382-P714 WeakPolarHBondContact OH-CG 3.41Å; Y382-L717 WeakPolarHBondContact OH-CD1 3.43Å
383	N	84.5	Confident	80	Confident	17 Å²	17	63.9 Å²	63.9	9%	0.091	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	0.5	172.7	-78	-48.8	0	0	0	113.3	W379 L380 Q381 Y390 Q408	W379-N383 VanDerWaalsContact CD1-ND2 3.28Å; W379-N383 PolarHBondContact O-N 3.35Å; W379-N383 PolarHBondContact O-ND2 2.98Å; W379-N383 VanDerWaalsContact O-ND2 3.11Å; L380-N383 CarbonylContact O-C 3.41Å; L380-N383 PolarHBondContact O-N 3Å; L380-N383 VanDerWaalsContact O-N 3.15Å; Q381-N383 PolarHBondContact O-N 2.73Å; N383-Y390 VanDerWaalsContact O-CE2 3.27Å; N383-Y390 WeakPolarHBondContact O-CE2 3.48Å; N383-Q408 PolarHBondContact ND2-OE1 2.63Å; N383-Q408 PolarHBondContact OD1-NE2 3.49Å; N383-Q408 PolarHBondContact OD1-OE1 3.43Å
384	A	81.5	Confident	79.1	Confident	26 Å²	26	60.3 Å²	60.3	22%	0.215	33%	0.325	C	S	.	.	S	Bend	trans	-80.4	138.9	177	0	0	0	0	0	110.8	L380 Q381 N386 A387 Y390	L380-A384 PolarHBondContact O-N 2.9Å; L380-A384 VanDerWaalsContact O-N 3.14Å; Q381-A384 VanDerWaalsContact O-CB 3.29Å; Q381-A384 WeakPolarHBondContact O-CB 3.45Å; Q381-A384 PolarHBondContact O-N 3.3Å; A384-N386 WeakPolarHBondContact CB-OD1 3.49Å; A384-N386 PolarHBondContact O-N 3.43Å; A384-A387 WeakPolarHBondContact O-CB 3.45Å; A384-A387 PolarHBondContact O-N 2.97Å; A384-Y390 VanDerWaalsContact C-CD2 3.5Å; A384-Y390 WeakPolarHBondContact O-CD2 3.25Å
385	P	73.2	Confident	78.4	Confident	110 Å²	110	60.6 Å²	60.6	71%	0.714	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.5	-172.7	25	-35.1	0	0	0	114.4
386	N	71	Confident	77.8	Confident	141 Å²	141	60.6 Å²	60.6	75%	0.754	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-4	177.9	61.6	-17.3	0	0	0	114	A384	A384-N386 WeakPolarHBondContact CB-OD1 3.49Å; A384-N386 PolarHBondContact O-N 3.43Å
387	A	64.9	Low	77.2	Confident	23 Å²	23	59 Å²	59	19%	0.19	32%	0.32	C	S	.	.			trans	-68.8	138.7	-178.9	0	0	0	0	0	111.7	Q381 A384 D389 Y390	Q381-A387 WeakPolarHBondContact O-CB 3.06Å; A384-A387 WeakPolarHBondContact O-CB 3.45Å; A384-A387 PolarHBondContact O-N 2.97Å; A387-D389 PolarHBondContact O-N 2.91Å; A387-Y390 WeakPolarHBondContact O-CB 2.88Å; A387-Y390 PolarHBondContact O-N 3.19Å
388	V	60.9	Low	76.6	Confident	147 Å²	147	61.9 Å²	61.9	89%	0.891	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-39.8	-177.2	-179.8	0	0	0	0	111.4
389	D	63.3	Low	76.1	Confident	76 Å²	76	65 Å²	65	41%	0.406	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	18.9	179.8	-61.4	-38.8	0	0	0	113.3	A387 K391 S392 F393 F712	A387-D389 PolarHBondContact O-N 2.91Å; D389-K391 PolarHBondContact O-N 3.15Å; D389-K391 VanDerWaalsContact O-N 3.07Å; D389-S392 PolarHBondContact O-N 3.46Å; D389-F393 PolarHBondContact O-N 2.96Å; D389-F712 HydrophobicContact CB-CD2 3.91Å; D389-F712 HydrophobicContact CB-CE2 3.42Å; D389-F712 VanDerWaalsContact CB-CE2 3.42Å; D389-F712 HydrophobicContact CB-CZ 4.49Å
390	Y	57.7	Low	75.6	Confident	53 Å²	53	65.5 Å²	65.5	21%	0.208	35%	0.35	C	S	.	.	H	α-helix	trans	-48.6	-40.9	180	172.8	-107	0	0	0	111.8	N383 A384 A387 S392 S394	N383-Y390 VanDerWaalsContact O-CE2 3.27Å; N383-Y390 WeakPolarHBondContact O-CE2 3.48Å; A384-Y390 VanDerWaalsContact C-CD2 3.5Å; A384-Y390 WeakPolarHBondContact O-CD2 3.25Å; A387-Y390 WeakPolarHBondContact O-CB 2.88Å; A387-Y390 PolarHBondContact O-N 3.19Å; Y390-S392 VanDerWaalsContact C-N 3.3Å; Y390-S392 PolarHBondContact O-N 3.03Å; Y390-S394 VanDerWaalsContact CE2-CB 3.49Å; Y390-S394 WeakPolarHBondContact CE2-OG 3.33Å; Y390-S394 WeakPolarHBondContact O-CB 3.1Å; Y390-S394 PolarHBondContact O-N 3.15Å; Y390-S394 PolarHBondContact O-OG 3.47Å
391	K	66.4	Low	75.2	Confident	168 Å²	168	67.9 Å²	67.9	73%	0.73	37%	0.371	S	S	*	.	H	α-helix	trans	-67.6	-22.2	-176	-76	-175.2	-179	174.7	0	114.8	D389 H395	D389-K391 PolarHBondContact O-N 3.15Å; D389-K391 VanDerWaalsContact O-N 3.07Å; K391-H395 WeakPolarHBondContact O-CB 3.41Å; K391-H395 PolarHBondContact O-ND1 2.87Å
392	S	69.7	Low	75.1	Confident	66 Å²	66	68.8 Å²	68.8	46%	0.462	38%	0.375	S	S	.	.	H	α-helix	trans	-91.4	-47.7	178.2	-59.2	0	0	0	0	110.1	D389 Y390	D389-S392 PolarHBondContact O-N 3.46Å; Y390-S392 VanDerWaalsContact C-N 3.3Å; Y390-S392 PolarHBondContact O-N 3.03Å
393	F	76.9	Confident	75.3	Confident	0 Å²	0	69 Å²	69	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-74.2	-45.5	-174.7	-164.8	-100.5	0	0	0	113.2	W379 Y382 D389 H395 L396 Q408 Y411 L412 L709 F712	W379-F393 AromaticContact CD1-CE1 3.96Å; Y382-F393 HydrophobicContact CD2-CE1 4.46Å; Y382-F393 HydrophobicContact CD2-CZ 4.41Å; D389-F393 PolarHBondContact O-N 2.96Å; F393-H395 VanDerWaalsContact C-N 3.32Å; F393-H395 PolarHBondContact O-N 3.1Å; F393-L396 WeakPolarHBondContact O-CB 3.22Å; F393-L396 WeakPolarHBondContact O-CG 3.42Å; F393-L396 PolarHBondContact O-N 3.2Å; F393-Q408 HydrophobicContact CD1-CG 4.03Å; F393-Q408 HydrophobicContact CE1-CB 3.81Å; F393-Q408 HydrophobicContact CE1-CG 3.51Å; F393-Q408 HydrophobicContact CE2-CB 4.2Å; F393-Q408 HydrophobicContact CE2-CG 4.07Å; F393-Q408 HydrophobicContact CZ-CB 3.48Å; F393-Q408 VanDerWaalsContact CZ-CB 3.48Å; F393-Q408 HydrophobicContact CZ-CG 3.54Å; F393-Q408 PolarHBondContact O-NE2 3.41Å; F393-Y411 AromaticContact CE2-CD1 3.86Å; F393-Y411 HydrophobicContact CE2-CD1 3.86Å; F393-Y411 HydrophobicContact CE2-CE1 4.44Å; F393-L412 HydrophobicContact CZ-CD1 4.12Å; F393-L412 HydrophobicContact CZ-CG 4.19Å; F393-L709 HydrophobicContact CD2-CD2 4.1Å; F393-F712 HydrophobicContact CB-CD2 4.42Å; F393-F712 HydrophobicContact CB-CE2 3.78Å; F393-F712 HydrophobicContact CB-CZ 3.92Å; F393-F712 HydrophobicContact CD2-CD1 4.1Å; F393-F712 AromaticContact CD2-CE1 3.63Å; F393-F712 HydrophobicContact CD2-CE1 3.63Å; F393-F712 HydrophobicContact CD2-CE2 4.27Å; F393-F712 AromaticContact CD2-CZ 3.73Å; F393-F712 HydrophobicContact CD2-CZ 3.73Å; F393-F712 HydrophobicContact CE2-CE1 4.14Å; F393-F712 HydrophobicContact CG-CE1 4.39Å; F393-F712 HydrophobicContact CG-CE2 4.37Å; F393-F712 HydrophobicContact CG-CZ 4.03Å
394	S	74	Confident	75.5	Confident	9 Å²	9	68.2 Å²	68.2	6%	0.063	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-25.4	-178.6	75	0	0	0	0	113	Y390 L396 R397	Y390-S394 VanDerWaalsContact CE2-CB 3.49Å; Y390-S394 WeakPolarHBondContact CE2-OG 3.33Å; Y390-S394 WeakPolarHBondContact O-CB 3.1Å; Y390-S394 PolarHBondContact O-N 3.15Å; Y390-S394 PolarHBondContact O-OG 3.47Å; S394-L396 PolarHBondContact O-N 3.06Å; S394-R397 WeakPolarHBondContact O-CB 3.34Å; S394-R397 PolarHBondContact O-N 3.02Å; S394-R397 VanDerWaalsContact O-N 3.17Å; S394-R397 PolarHBondContact O-NE 3.01Å
395	H	78.8	Confident	76	Confident	91 Å²	91	69.1 Å²	69.1	42%	0.421	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.9	179.3	-163.2	158.2	0	0	0	112	K391 F393 R397 L398 I399	K391-H395 WeakPolarHBondContact O-CB 3.41Å; K391-H395 PolarHBondContact O-ND1 2.87Å; F393-H395 VanDerWaalsContact C-N 3.32Å; F393-H395 PolarHBondContact O-N 3.1Å; H395-R397 PolarHBondContact O-N 3.49Å; H395-R397 VanDerWaalsContact O-N 3.14Å; H395-L398 WeakPolarHBondContact O-CA 3.3Å; H395-L398 WeakPolarHBondContact O-CB 3.46Å; H395-L398 PolarHBondContact O-N 3.07Å; H395-I399 PolarHBondContact O-N 3.28Å
396	L	81.2	Confident	77	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-54.4	-33.4	169.5	-65.8	174.2	0	0	0	112.7	F393 S394 L398 D400 Q408 E708 L709	F393-L396 WeakPolarHBondContact O-CB 3.22Å; F393-L396 WeakPolarHBondContact O-CG 3.42Å; F393-L396 PolarHBondContact O-N 3.2Å; S394-L396 PolarHBondContact O-N 3.06Å; L396-L398 VanDerWaalsContact C-N 3.26Å; L396-L398 PolarHBondContact O-N 2.84Å; L396-D400 WeakPolarHBondContact O-CA 3.41Å; L396-D400 WeakPolarHBondContact O-CB 3.37Å; L396-D400 PolarHBondContact O-N 3.23Å; L396-Q408 HydrophobicContact CD1-CG 3.94Å; L396-E708 HydrophobicContact CD2-CB 4.18Å; L396-E708 WeakPolarHBondContact CD2-OE2 3.35Å; L396-L709 HydrophobicContact CD1-CD1 3.69Å; L396-L709 HydrophobicContact CD1-CD2 3.9Å; L396-L709 HydrophobicContact CD1-CG 3.94Å
397	R	83	Confident	77.8	Confident	43 Å²	43	57.3 Å²	57.3	16%	0.162	30%	0.301	C	S	.	.	H	α-helix	trans	-71.8	-19.7	176.2	-55.4	177.7	-62.7	171.5	4.7	113.3	S394 H395 Y405 D555	S394-R397 WeakPolarHBondContact O-CB 3.34Å; S394-R397 PolarHBondContact O-N 3.02Å; S394-R397 VanDerWaalsContact O-N 3.17Å; S394-R397 PolarHBondContact O-NE 3.01Å; H395-R397 PolarHBondContact O-N 3.49Å; H395-R397 VanDerWaalsContact O-N 3.14Å; R397-Y405 HydrophobicContact CG-CD2 4.49Å; R397-Y405 HydrophobicContact CG-CE2 4.4Å; R397-Y405 PolarHBondContact NH1-OH 2.94Å; R397-D555 IonicContact NH2-OD2 3.9Å
398	L	79.8	Confident	79	Confident	129 Å²	129	56.2 Å²	56.2	68%	0.675	29%	0.292	S	S	*	.	H	α-helix	trans	-92.8	-36.3	176.6	-59.1	173.1	0	0	0	111.6	H395 L396	H395-L398 WeakPolarHBondContact O-CA 3.3Å; H395-L398 WeakPolarHBondContact O-CB 3.46Å; H395-L398 PolarHBondContact O-N 3.07Å; L396-L398 VanDerWaalsContact C-N 3.26Å; L396-L398 PolarHBondContact O-N 2.84Å
399	I	78.6	Confident	80.5	Confident	82 Å²	82	49.2 Å²	49.2	42%	0.421	25%	0.25	S	S	.	.	H	α-helix	trans	-69.8	-40	174.2	-66.8	161	0	0	0	110.2	H395	H395-I399 PolarHBondContact O-N 3.28Å
400	D	81.4	Confident	81.8	Confident	12 Å²	12	45.9 Å²	45.9	6%	0.064	23%	0.232	C	C	.	.			trans	-128.9	88.7	-176.4	-159.6	-36.9	0	0	0	109.2	L396 E402 K403 G404 R407 K700	L396-D400 WeakPolarHBondContact O-CA 3.41Å; L396-D400 WeakPolarHBondContact O-CB 3.37Å; L396-D400 PolarHBondContact O-N 3.23Å; D400-E402 PolarHBondContact O-N 3.38Å; D400-E402 PolarHBondContact OD1-N 2.95Å; D400-K403 PolarHBondContact OD1-N 3.36Å; D400-G404 WeakPolarHBondContact O-CA 3.42Å; D400-G404 PolarHBondContact O-N 3.01Å; D400-R407 WeakPolarHBondContact OD2-CD 3.49Å; D400-K700 IonicContact OD2-NZ 2.66Å; D400-K700 PolarHBondContact OD2-NZ 2.84Å
401	S	82	Confident	83.2	Confident	107 Å²	107	44.5 Å²	44.5	75%	0.748	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.1	-178.2	53.9	0	0	0	0	113.3
402	E	84.5	Confident	84.3	Confident	121 Å²	121	36.5 Å²	36.5	57%	0.565	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-49.9	-177.7	-68.1	-175.8	175.5	0	0	111.8	R361 D400	R361-E402 PolarHBondContact NH1-O 3.47Å; D400-E402 PolarHBondContact O-N 3.38Å; D400-E402 PolarHBondContact OD1-N 2.95Å
403	K	88.7	Confident	85.3	Confident	26 Å²	26	33.5 Å²	33.5	11%	0.113	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	9.9	-170.3	-71.6	-73.6	-165.4	158.6	0	113.6	D400 Y405 E406 R407 E422 Y423	D400-K403 PolarHBondContact OD1-N 3.36Å; K403-Y405 VanDerWaalsContact C-N 3.31Å; K403-Y405 PolarHBondContact O-N 3.37Å; K403-E406 VanDerWaalsContact C-OE2 3.27Å; K403-E406 VanDerWaalsContact CA-OE2 3.26Å; K403-E406 WeakPolarHBondContact CA-OE2 3.35Å; K403-E406 HydrophobicContact CB-CB 4.42Å; K403-E406 HydrophobicContact CD-CB 4.01Å; K403-E406 HydrophobicContact CD-CG 3.84Å; K403-E406 WeakPolarHBondContact O-CB 3.29Å; K403-E406 PolarHBondContact O-N 3.21Å; K403-E406 VanDerWaalsContact O-N 3.08Å; K403-R407 WeakPolarHBondContact O-CG 3.47Å; K403-R407 PolarHBondContact O-N 3.19Å; K403-E422 IonicContact NZ-OE1 2.69Å; K403-E422 PolarHBondContact NZ-OE1 2.82Å; K403-Y423 PolarHBondContact NZ-O 3.31Å
404	G	88.8	Confident	85.8	Confident	2 Å²	2	37.2 Å²	37.2	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-58.1	-37.5	-175.1	0	0	0	0	0	114.3	D400 Q408	D400-G404 WeakPolarHBondContact O-CA 3.42Å; D400-G404 PolarHBondContact O-N 3.01Å; G404-Q408 WeakPolarHBondContact O-CG 3.39Å; G404-Q408 PolarHBondContact O-N 3.31Å
405	Y	91.2	Very high	86.3	Confident	44 Å²	44	37 Å²	37	17%	0.173	18%	0.183	C	C	.	.	H	α-helix	trans	-71.1	-39.8	174.1	-79.7	-73	0	0	0	111.8	L281 T294 W379 R397 K403 R407 Q408 G409	L281-Y405 HydrophobicContact CD1-CD1 4.43Å; L281-Y405 HydrophobicContact CD1-CG 4.36Å; T294-Y405 HydrophobicContact CG2-CD2 3.7Å; T294-Y405 HydrophobicContact CG2-CE2 4.06Å; T294-Y405 HydrophobicContact CG2-CG 4.07Å; W379-Y405 WeakPolarHBondContact CZ2-O 3.4Å; R397-Y405 HydrophobicContact CG-CD2 4.49Å; R397-Y405 HydrophobicContact CG-CE2 4.4Å; R397-Y405 PolarHBondContact NH1-OH 2.94Å; K403-Y405 VanDerWaalsContact C-N 3.31Å; K403-Y405 PolarHBondContact O-N 3.37Å; Y405-R407 VanDerWaalsContact C-N 3.28Å; Y405-R407 PolarHBondContact O-N 3.32Å; Y405-Q408 WeakPolarHBondContact O-CB 3.09Å; Y405-Q408 PolarHBondContact O-N 2.95Å; Y405-Q408 VanDerWaalsContact O-N 3.14Å; Y405-G409 PolarHBondContact O-N 3.46Å
406	E	93	Very high	86.8	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-61.9	-39	177.1	-66.1	85.5	156.6	0	0	110.7	L281 R361 K403 Q408 G409 R410 E422	L281-E406 HydrophobicContact CD2-CG 4.1Å; R361-E406 WeakPolarHBondContact CD-OE1 3.2Å; R361-E406 IonicContact NH1-OE1 3.32Å; R361-E406 PolarHBondContact NH1-OE1 3.15Å; R361-E406 IonicContact NH1-OE2 2.75Å; K403-E406 VanDerWaalsContact C-OE2 3.27Å; K403-E406 VanDerWaalsContact CA-OE2 3.26Å; K403-E406 WeakPolarHBondContact CA-OE2 3.35Å; K403-E406 HydrophobicContact CB-CB 4.42Å; K403-E406 HydrophobicContact CD-CB 4.01Å; K403-E406 HydrophobicContact CD-CG 3.84Å; K403-E406 WeakPolarHBondContact O-CB 3.29Å; K403-E406 PolarHBondContact O-N 3.21Å; K403-E406 VanDerWaalsContact O-N 3.08Å; E406-Q408 PolarHBondContact O-N 3.39Å; E406-G409 PolarHBondContact O-N 2.95Å; E406-R410 WeakPolarHBondContact O-CG 3.2Å; E406-R410 PolarHBondContact O-N 3.32Å; E406-E422 WeakPolarHBondContact CB-OE2 2.94Å; E406-E422 HydrophobicContact CG-CB 4.38Å
407	R	89.7	Confident	87	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-60.9	-42.7	172.1	-69.5	-179.5	75.6	-157.6	-3.3	112.7	D400 K403 Y405 R410 Y411 D706 E708	D400-R407 WeakPolarHBondContact OD2-CD 3.49Å; K403-R407 WeakPolarHBondContact O-CG 3.47Å; K403-R407 PolarHBondContact O-N 3.19Å; Y405-R407 VanDerWaalsContact C-N 3.28Å; Y405-R407 PolarHBondContact O-N 3.32Å; R407-R410 VanDerWaalsContact CG-NH2 3.33Å; R407-R410 PolarHBondContact O-N 3.4Å; R407-Y411 PolarHBondContact O-N 2.91Å; R407-Y411 VanDerWaalsContact O-N 3.13Å; R407-D706 IonicContact NE-OD1 2.68Å; R407-D706 IonicContact NH2-OD1 3.98Å; R407-E708 IonicContact CZ-OE2 2.87Å; R407-E708 IonicContact NH1-OE1 3.71Å; R407-E708 IonicContact NH1-OE2 2.83Å; R407-E708 PolarHBondContact NH1-OE2 3.4Å; R407-E708 VanDerWaalsContact NH2-CD 3.33Å; R407-E708 IonicContact NH2-OE1 3.34Å; R407-E708 IonicContact NH2-OE2 3.48Å; R407-E708 PolarHBondContact NH2-OE2 2.97Å
408	Q	89.4	Confident	87.3	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-44.3	173.5	-69.3	178.9	-6.8	0	0	111.5	W379 N383 F393 L396 G404 Y405 E406 Y411 L412	W379-Q408 HydrophobicContact CZ2-CB 4.15Å; N383-Q408 PolarHBondContact ND2-OE1 2.63Å; N383-Q408 PolarHBondContact OD1-NE2 3.49Å; N383-Q408 PolarHBondContact OD1-OE1 3.43Å; F393-Q408 HydrophobicContact CD1-CG 4.03Å; F393-Q408 HydrophobicContact CE1-CB 3.81Å; F393-Q408 HydrophobicContact CE1-CG 3.51Å; F393-Q408 HydrophobicContact CE2-CB 4.2Å; F393-Q408 HydrophobicContact CE2-CG 4.07Å; F393-Q408 HydrophobicContact CZ-CB 3.48Å; F393-Q408 VanDerWaalsContact CZ-CB 3.48Å; F393-Q408 HydrophobicContact CZ-CG 3.54Å; F393-Q408 PolarHBondContact O-NE2 3.41Å; L396-Q408 HydrophobicContact CD1-CG 3.94Å; G404-Q408 WeakPolarHBondContact O-CG 3.39Å; G404-Q408 PolarHBondContact O-N 3.31Å; Y405-Q408 WeakPolarHBondContact O-CB 3.09Å; Y405-Q408 PolarHBondContact O-N 2.95Å; Y405-Q408 VanDerWaalsContact O-N 3.14Å; E406-Q408 PolarHBondContact O-N 3.39Å; Q408-Y411 PolarHBondContact O-N 2.91Å; Q408-L412 WeakPolarHBondContact O-CG 3.38Å; Q408-L412 PolarHBondContact O-N 3.43Å
409	G	91.9	Very high	87.8	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62	-42.2	177.6	0	0	0	0	0	113	Y405 E406 L412 S413	Y405-G409 PolarHBondContact O-N 3.46Å; E406-G409 PolarHBondContact O-N 2.95Å; G409-L412 PolarHBondContact O-N 3.36Å; G409-S413 WeakPolarHBondContact O-CB 3.36Å; G409-S413 PolarHBondContact O-N 3.34Å; G409-S413 PolarHBondContact O-OG 2.78Å
410	R	90.6	Very high	88.5	Confident	7 Å²	7	26.8 Å²	26.8	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-58.2	-48.6	172.9	-79.1	-169.6	-83.4	126.6	-24.5	112.1	E406 R407 S413 R414 W420 E422 K700 D706	E406-R410 WeakPolarHBondContact O-CG 3.2Å; E406-R410 PolarHBondContact O-N 3.32Å; R407-R410 VanDerWaalsContact CG-NH2 3.33Å; R407-R410 PolarHBondContact O-N 3.4Å; R410-S413 PolarHBondContact O-N 3.24Å; R410-R414 WeakPolarHBondContact O-CG 3.2Å; R410-R414 PolarHBondContact O-N 3.14Å; R410-R414 VanDerWaalsContact O-N 3.09Å; R410-W420 HydrophobicContact CB-CG 4.47Å; R410-W420 HydrophobicContact CG-CB 4.17Å; R410-W420 HydrophobicContact CG-CG 3.72Å; R410-E422 IonicContact NE-OE2 3.84Å; R410-E422 PolarHBondContact NE-OE2 3.06Å; R410-K700 PolarHBondContact NH1-O 3.26Å; R410-D706 IonicContact NH1-OD1 2.63Å; R410-D706 PolarHBondContact NH1-OD1 2.93Å; R410-D706 VanDerWaalsContact NH1-OD1 3.13Å; R410-D706 IonicContact NH1-OD2 3.8Å; R410-D706 PolarHBondContact NH1-OD2 3.44Å
411	Y	87.2	Confident	89.1	Confident	24 Å²	24	28.6 Å²	28.6	9%	0.094	16%	0.156	C	C	.	.	H	α-helix	trans	-61.4	-48.4	179	173.6	-91.1	0	0	0	111.9	F393 R407 Q408 S413 R414 V415 L709 F712 P714	F393-Y411 AromaticContact CE2-CD1 3.86Å; F393-Y411 HydrophobicContact CE2-CD1 3.86Å; F393-Y411 HydrophobicContact CE2-CE1 4.44Å; R407-Y411 PolarHBondContact O-N 2.91Å; R407-Y411 VanDerWaalsContact O-N 3.13Å; Q408-Y411 PolarHBondContact O-N 2.91Å; Y411-S413 VanDerWaalsContact C-N 3.31Å; Y411-S413 PolarHBondContact O-N 3.31Å; Y411-R414 WeakPolarHBondContact O-CB 3.39Å; Y411-R414 PolarHBondContact O-N 3.36Å; Y411-V415 HydrophobicContact CD1-CG2 4.07Å; Y411-V415 HydrophobicContact CE1-CG2 3.51Å; Y411-V415 HydrophobicContact CE2-CG2 4.24Å; Y411-V415 WeakPolarHBondContact O-CG2 3.21Å; Y411-V415 PolarHBondContact O-N 3.44Å; Y411-L709 VanDerWaalsContact CB-CD1 3.48Å; Y411-L709 HydrophobicContact CD2-CB 3.82Å; Y411-L709 HydrophobicContact CD2-CD1 3.71Å; Y411-L709 HydrophobicContact CD2-CG 4.27Å; Y411-L709 HydrophobicContact CE2-CB 4.18Å; Y411-L709 HydrophobicContact CG-CD1 3.69Å; Y411-F712 HydrophobicContact CD1-CD1 4.41Å; Y411-F712 HydrophobicContact CD1-CE1 4.44Å; Y411-F712 AromaticContact CE1-CD1 3.6Å; Y411-F712 HydrophobicContact CE1-CD1 3.6Å; Y411-F712 AromaticContact CE1-CE1 3.64Å; Y411-F712 HydrophobicContact CE1-CE1 3.64Å; Y411-F712 HydrophobicContact CE2-CD1 4.15Å; Y411-F712 AromaticContact CZ-CD1 3.46Å; Y411-F712 VanDerWaalsContact CZ-CD1 3.46Å; Y411-F712 AromaticContact CZ-CE1 3.95Å; Y411-F712 WeakPolarHBondContact OH-CD1 3.07Å; Y411-F712 PolarHBondContact OH-O 2.85Å; Y411-P714 VanDerWaalsContact OH-CD 3.26Å; Y411-P714 WeakPolarHBondContact OH-CD 3.29Å
412	L	89.3	Confident	89.6	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-38	179.3	-71.4	171.6	0	0	0	111.8	F375 W379 Y382 F393 Q408 G409 R414 V415 F416	F375-L412 HydrophobicContact CD2-CB 4.49Å; F375-L412 HydrophobicContact CE1-CB 3.88Å; F375-L412 HydrophobicContact CE1-CD1 4.13Å; F375-L412 HydrophobicContact CE2-CB 3.74Å; F375-L412 HydrophobicContact CZ-CB 3.37Å; F375-L412 HydrophobicContact CZ-CD1 4.45Å; W379-L412 HydrophobicContact CB-CD1 3.42Å; W379-L412 VanDerWaalsContact CB-CD1 3.42Å; W379-L412 HydrophobicContact CD2-CD1 3.61Å; W379-L412 HydrophobicContact CE3-CD1 4.12Å; W379-L412 HydrophobicContact CG-CD1 3.3Å; Y382-L412 HydrophobicContact CD2-CD2 4.19Å; Y382-L412 HydrophobicContact CE2-CD2 4Å; F393-L412 HydrophobicContact CZ-CD1 4.12Å; F393-L412 HydrophobicContact CZ-CG 4.19Å; Q408-L412 WeakPolarHBondContact O-CG 3.38Å; Q408-L412 PolarHBondContact O-N 3.43Å; G409-L412 PolarHBondContact O-N 3.36Å; L412-R414 VanDerWaalsContact C-N 3.31Å; L412-R414 PolarHBondContact O-N 3.49Å; L412-V415 WeakPolarHBondContact O-CB 3.47Å; L412-V415 PolarHBondContact O-N 2.68Å; L412-V415 VanDerWaalsContact O-N 3.12Å; L412-F416 HydrophobicContact CD2-CE2 4.4Å; L412-F416 WeakPolarHBondContact O-CD2 3.49Å; L412-F416 PolarHBondContact O-N 3.22Å
413	S	91.7	Very high	89.9	Confident	2 Å²	2	20.1 Å²	20.1	1%	0.014	10%	0.103	C	C	.	.	H	α-helix	trans	-61.3	-40.6	175.4	-55.4	0	0	0	0	111.7	S364 G409 R410 Y411 V415 F416 G417 T418	S364-S413 PolarHBondContact OG-OG 3.2Å; G409-S413 WeakPolarHBondContact O-CB 3.36Å; G409-S413 PolarHBondContact O-N 3.34Å; G409-S413 PolarHBondContact O-OG 2.78Å; R410-S413 PolarHBondContact O-N 3.24Å; Y411-S413 VanDerWaalsContact C-N 3.31Å; Y411-S413 PolarHBondContact O-N 3.31Å; S413-V415 PolarHBondContact O-N 3.37Å; S413-F416 PolarHBondContact O-N 2.93Å; S413-G417 PolarHBondContact O-N 3.08Å; S413-T418 CarbonylContact C-O 3.45Å; S413-T418 WeakPolarHBondContact CA-OG1 3.27Å; S413-T418 WeakPolarHBondContact CB-O 3.35Å; S413-T418 WeakPolarHBondContact CB-OG1 3.28Å; S413-T418 PolarHBondContact O-N 3.07Å; S413-T418 VanDerWaalsContact O-O 3.12Å; S413-T418 PolarHBondContact O-OG1 3.47Å
414	R	86.3	Confident	90.1	Very high	79 Å²	79	19.3 Å²	19.3	30%	0.298	10%	0.099	S	C	.	.	H	α-helix	trans	-62.4	-42	172.2	-67.4	173.7	-174.9	152.9	4.1	112.6	R410 Y411 L412 G417 D706	R410-R414 WeakPolarHBondContact O-CG 3.2Å; R410-R414 PolarHBondContact O-N 3.14Å; R410-R414 VanDerWaalsContact O-N 3.09Å; Y411-R414 WeakPolarHBondContact O-CB 3.39Å; Y411-R414 PolarHBondContact O-N 3.36Å; L412-R414 VanDerWaalsContact C-N 3.31Å; L412-R414 PolarHBondContact O-N 3.49Å; R414-G417 PolarHBondContact O-N 2.66Å; R414-D706 IonicContact CZ-OD2 3.77Å; R414-D706 IonicContact NH1-OD2 3.85Å; R414-D706 PolarHBondContact NH1-OD2 3.17Å; R414-D706 IonicContact NH2-OD2 3.9Å; R414-D706 PolarHBondContact NH2-OD2 3.18Å
415	V	85.4	Confident	90	Very high	4 Å²	4	27 Å²	27	2%	0.024	14%	0.135	C	C	.	.	H	α-helix	trans	-63.7	-42.7	179.1	168	0	0	0	0	111.9	Y411 L412 S413 G417 L717 L719	Y411-V415 HydrophobicContact CD1-CG2 4.07Å; Y411-V415 HydrophobicContact CE1-CG2 3.51Å; Y411-V415 HydrophobicContact CE2-CG2 4.24Å; Y411-V415 WeakPolarHBondContact O-CG2 3.21Å; Y411-V415 PolarHBondContact O-N 3.44Å; L412-V415 WeakPolarHBondContact O-CB 3.47Å; L412-V415 PolarHBondContact O-N 2.68Å; L412-V415 VanDerWaalsContact O-N 3.12Å; S413-V415 PolarHBondContact O-N 3.37Å; V415-G417 VanDerWaalsContact C-N 3.33Å; V415-L717 HydrophobicContact CG1-CB 3.92Å; V415-L717 HydrophobicContact CG1-CD1 3.63Å; V415-L717 HydrophobicContact CG1-CD2 3.67Å; V415-L717 HydrophobicContact CG1-CG 3.92Å; V415-L719 HydrophobicContact CG2-CD2 4.47Å
416	F	88.2	Confident	89.7	Confident	13 Å²	13	26.9 Å²	26.9	6%	0.057	14%	0.135	C	C	.	.	H	α-helix	trans	-85.9	-1.5	179.9	-78.9	-89.4	0	0	0	113.7	I371 E374 F375 K378 L412 S413 T418	I371-F416 HydrophobicContact CG2-CD1 3.7Å; I371-F416 HydrophobicContact CG2-CE1 4.23Å; E374-F416 HydrophobicContact CB-CE1 4.27Å; E374-F416 HydrophobicContact CG-CE1 4.14Å; E374-F416 HydrophobicContact CG-CZ 4.15Å; F375-F416 VanDerWaalsContact CA-CZ 3.46Å; F375-F416 HydrophobicContact CB-CD1 4.47Å; F375-F416 HydrophobicContact CB-CD2 4.34Å; F375-F416 HydrophobicContact CB-CE1 4.27Å; F375-F416 HydrophobicContact CB-CE2 4.15Å; F375-F416 HydrophobicContact CB-CG 4.5Å; F375-F416 HydrophobicContact CB-CZ 4.1Å; F375-F416 HydrophobicContact CD2-CB 3.84Å; F375-F416 HydrophobicContact CD2-CD1 4.3Å; F375-F416 AromaticContact CD2-CD2 3.4Å; F375-F416 HydrophobicContact CD2-CD2 3.4Å; F375-F416 VanDerWaalsContact CD2-CD2 3.4Å; F375-F416 AromaticContact CD2-CE2 3.97Å; F375-F416 HydrophobicContact CD2-CE2 3.97Å; F375-F416 AromaticContact CD2-CG 3.58Å; F375-F416 HydrophobicContact CD2-CG 3.58Å; F375-F416 HydrophobicContact CE2-CB 4.19Å; F375-F416 AromaticContact CE2-CD2 3.95Å; F375-F416 HydrophobicContact CE2-CD2 3.95Å; F375-F416 HydrophobicContact CE2-CG 4.27Å; F375-F416 HydrophobicContact CG-CD2 4.09Å; F375-F416 HydrophobicContact CG-CE2 4.2Å; F375-F416 HydrophobicContact CG-CG 4.44Å; K378-F416 HydrophobicContact CD-CE2 4.3Å; K378-F416 HydrophobicContact CD-CZ 3.92Å; L412-F416 HydrophobicContact CD2-CE2 4.4Å; L412-F416 WeakPolarHBondContact O-CD2 3.49Å; L412-F416 PolarHBondContact O-N 3.22Å; S413-F416 PolarHBondContact O-N 2.93Å; F416-T418 VanDerWaalsContact C-N 3.35Å; F416-T418 HydrophobicContact CB-CG2 4.47Å
417	G	87	Confident	89.4	Confident	42 Å²	42	28.2 Å²	28.2	43%	0.433	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	29.8	179.5	0	0	0	0	0	114	S413 R414 V415	S413-G417 PolarHBondContact O-N 3.08Å; R414-G417 PolarHBondContact O-N 2.66Å; V415-G417 VanDerWaalsContact C-N 3.33Å
418	T	88.8	Confident	89.3	Confident	26 Å²	26	30.7 Å²	30.7	16%	0.16	16%	0.155	C	C	.	.			trans	-112	165.1	178.6	62	0	0	0	0	111.2	S364 M367 S413 F416	S364-T418 PolarHBondContact OG-OG1 3.37Å; M367-T418 HydrophobicContact CB-CG2 3.97Å; M367-T418 HydrophobicContact CE-CG2 3.87Å; M367-T418 HydrophobicContact SD-CG2 4.3Å; S413-T418 CarbonylContact C-O 3.45Å; S413-T418 WeakPolarHBondContact CA-OG1 3.27Å; S413-T418 WeakPolarHBondContact CB-O 3.35Å; S413-T418 WeakPolarHBondContact CB-OG1 3.28Å; S413-T418 PolarHBondContact O-N 3.07Å; S413-T418 VanDerWaalsContact O-O 3.12Å; S413-T418 PolarHBondContact O-OG1 3.47Å; F416-T418 VanDerWaalsContact C-N 3.35Å; F416-T418 HydrophobicContact CB-CG2 4.47Å
419	S	90.1	Very high	89.3	Confident	47 Å²	47	31.2 Å²	31.2	33%	0.329	16%	0.158	S	C	.	.			trans	-89.2	145.5	175.2	-54.4	0	0	0	0	111.2	S364	S364-S419 WeakPolarHBondContact CA-O 3.28Å; S364-S419 PolarHBondContact OG-O 2.7Å
420	W	93.4	Very high	89.3	Confident	4 Å²	4	31.5 Å²	31.5	2%	0.015	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.3	177.4	179.2	-97.6	0	0	0	110.8	L281 W379 R410 E422 D432	L281-W420 HydrophobicContact CB-CH2 4.02Å; L281-W420 HydrophobicContact CD2-CH2 4.43Å; L281-W420 HydrophobicContact CD2-CZ2 4.34Å; W379-W420 AromaticContact CH2-CH2 3.63Å; W379-W420 HydrophobicContact CH2-CH2 3.63Å; W379-W420 HydrophobicContact CH2-CZ2 4.48Å; W379-W420 AromaticContact CH2-CZ3 3.95Å; W379-W420 HydrophobicContact CH2-CZ3 3.95Å; W379-W420 HydrophobicContact CZ3-CH2 4.14Å; W379-W420 HydrophobicContact CZ3-CZ3 4.05Å; R410-W420 HydrophobicContact CB-CG 4.47Å; R410-W420 HydrophobicContact CG-CB 4.17Å; R410-W420 HydrophobicContact CG-CG 3.72Å; W420-E422 PolarHBondContact NE1-OE2 2.89Å; W420-D432 PolarHBondContact N-OD2 3.47Å; W420-D432 WeakPolarHBondContact O-CA 3.39Å; W420-D432 WeakPolarHBondContact O-CB 3.47Å
421	Y	93.1	Very high	89.2	Confident	50 Å²	50	31.7 Å²	31.7	20%	0.196	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	116.8	177.3	-58.3	-89.1	0	0	0	108.9	F320 G362 F363 D432	F320-Y421 AromaticContact CE2-CD1 3.89Å; F320-Y421 HydrophobicContact CE2-CD1 3.89Å; F320-Y421 HydrophobicContact CE2-CE1 4.22Å; F320-Y421 HydrophobicContact CE2-CG 4.18Å; F320-Y421 AromaticContact CZ-CD1 3.68Å; F320-Y421 HydrophobicContact CZ-CD1 3.68Å; F320-Y421 HydrophobicContact CZ-CD2 4Å; F320-Y421 AromaticContact CZ-CE1 3.7Å; F320-Y421 HydrophobicContact CZ-CE1 3.7Å; F320-Y421 HydrophobicContact CZ-CE2 4Å; F320-Y421 AromaticContact CZ-CG 3.84Å; F320-Y421 HydrophobicContact CZ-CG 3.84Å; F320-Y421 AromaticContact CZ-CZ 3.86Å; G362-Y421 CarbonylContact C-O 3.5Å; G362-Y421 WeakPolarHBondContact CA-O 3.42Å; F363-Y421 AromaticContact CD2-CD2 3.97Å; F363-Y421 HydrophobicContact CD2-CD2 3.97Å; F363-Y421 HydrophobicContact CD2-CG 4.41Å; F363-Y421 AromaticContact CE2-CD2 3.46Å; F363-Y421 HydrophobicContact CE2-CD2 3.46Å; F363-Y421 VanDerWaalsContact CE2-CD2 3.46Å; F363-Y421 HydrophobicContact CE2-CE2 4.38Å; F363-Y421 AromaticContact CE2-CG 3.7Å; F363-Y421 HydrophobicContact CE2-CG 3.7Å; F363-Y421 HydrophobicContact CZ-CD2 4.22Å; F363-Y421 AromaticContact CZ-CG 3.98Å; F363-Y421 HydrophobicContact CZ-CG 3.98Å; F363-Y421 PolarHBondContact N-O 2.9Å; F363-Y421 PolarHBondContact O-N 2.91Å; Y421-D432 HydrophobicContact CD1-CB 4.26Å; Y421-D432 HydrophobicContact CE1-CB 4.32Å
422	E	92.8	Very high	89.4	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.009	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	154.2	174.5	57.8	179.2	-100.1	0	0	111	R361 K403 E406 R410 W420 W424 Y430 I431	R361-E422 WeakPolarHBondContact O-CA 3.4Å; K403-E422 IonicContact NZ-OE1 2.69Å; K403-E422 PolarHBondContact NZ-OE1 2.82Å; E406-E422 WeakPolarHBondContact CB-OE2 2.94Å; E406-E422 HydrophobicContact CG-CB 4.38Å; R410-E422 IonicContact NE-OE2 3.84Å; R410-E422 PolarHBondContact NE-OE2 3.06Å; W420-E422 PolarHBondContact NE1-OE2 2.89Å; E422-W424 HydrophobicContact CG-CZ2 3.99Å; E422-W424 WeakPolarHBondContact OE1-CZ2 3.48Å; E422-Y430 WeakPolarHBondContact O-CA 3.11Å; E422-I431 PolarHBondContact O-N 3.26Å
423	Y	92.1	Very high	89.4	Confident	47 Å²	47	31.3 Å²	31.3	18%	0.184	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	130.7	178.6	-176.7	-112.3	0	0	0	111.1	R361 K403 E425 D428 Y430	R361-Y423 PolarHBondContact O-N 3.49Å; K403-Y423 PolarHBondContact NZ-O 3.31Å; Y423-E425 HydrophobicContact CE1-CB 4.24Å; Y423-D428 WeakPolarHBondContact CE2-OD1 3.44Å; Y423-D428 PolarHBondContact OH-OD1 3.2Å; Y423-Y430 HydrophobicContact CD2-CD2 4.21Å; Y423-Y430 AromaticContact CD2-CE2 3.84Å; Y423-Y430 HydrophobicContact CD2-CE2 3.84Å; Y423-Y430 HydrophobicContact CG-CE1 4.48Å
424	W	91	Very high	89.1	Confident	9 Å²	9	32.7 Å²	32.7	3%	0.034	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	110.8	173.5	-65.9	95.6	0	0	0	110.2	E422 F426 L427 D428 D429 I431 L433 I698 A701	E422-W424 HydrophobicContact CG-CZ2 3.99Å; E422-W424 WeakPolarHBondContact OE1-CZ2 3.48Å; W424-F426 VanDerWaalsContact C-N 3.26Å; W424-F426 HydrophobicContact CB-CD1 4.03Å; W424-F426 HydrophobicContact CB-CE1 3.72Å; W424-F426 HydrophobicContact CB-CZ 4.3Å; W424-F426 AromaticContact CD2-CE1 3.81Å; W424-F426 HydrophobicContact CD2-CE1 3.81Å; W424-F426 HydrophobicContact CD2-CZ 4.48Å; W424-F426 HydrophobicContact CE3-CD1 4.17Å; W424-F426 AromaticContact CE3-CE1 3.46Å; W424-F426 HydrophobicContact CE3-CE1 3.46Å; W424-F426 VanDerWaalsContact CE3-CE1 3.46Å; W424-F426 HydrophobicContact CE3-CZ 4.44Å; W424-F426 AromaticContact CG-CE1 3.97Å; W424-F426 HydrophobicContact CG-CE1 3.97Å; W424-F426 HydrophobicContact CG-CZ 4.47Å; W424-F426 HydrophobicContact CZ3-CE1 4.29Å; W424-F426 PolarHBondContact O-N 2.98Å; W424-L427 HydrophobicContact CB-CB 4.5Å; W424-L427 PolarHBondContact O-N 3.47Å; W424-L427 VanDerWaalsContact O-N 3.11Å; W424-D428 WeakPolarHBondContact O-CA 3.48Å; W424-D428 PolarHBondContact O-N 2.99Å; W424-D429 PolarHBondContact N-O 3.05Å; W424-D429 PolarHBondContact O-N 2.95Å; W424-I431 HydrophobicContact CG-CG2 4.19Å; W424-I431 PolarHBondContact NE1-O 2.91Å; W424-L433 HydrophobicContact CD2-CD1 3.96Å; W424-L433 VanDerWaalsContact CE2-CD1 3.4Å; W424-L433 HydrophobicContact CE3-CD1 4.41Å; W424-L433 HydrophobicContact CH2-CD1 3.81Å; W424-L433 HydrophobicContact CZ2-CD1 3.34Å; W424-L433 HydrophobicContact CZ2-CG 3.95Å; W424-L433 HydrophobicContact CZ3-CD1 4.32Å; W424-I698 HydrophobicContact CE3-CG1 4.35Å; W424-I698 HydrophobicContact CH2-CG1 4.43Å; W424-I698 HydrophobicContact CZ3-CG1 3.88Å; W424-A701 HydrophobicContact CH2-CB 3.68Å; W424-A701 HydrophobicContact CZ2-CB 3.52Å
425	E	87.2	Confident	89.1	Confident	165 Å²	165	30.6 Å²	30.6	77%	0.771	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-37.2	-177.4	-173.1	175.6	179.6	0	0	112.8	Y423 L427 D428	Y423-E425 HydrophobicContact CE1-CB 4.24Å; E425-L427 VanDerWaalsContact C-N 3.27Å; E425-L427 PolarHBondContact O-N 3.48Å; E425-D428 PolarHBondContact O-N 2.84Å
426	F	85.3	Confident	89.1	Confident	40 Å²	40	34.8 Å²	34.8	18%	0.175	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-21.4	-179.2	72.5	-90.8	0	0	0	114.2	W424 L433 L442 Y445 I698	W424-F426 VanDerWaalsContact C-N 3.26Å; W424-F426 HydrophobicContact CB-CD1 4.03Å; W424-F426 HydrophobicContact CB-CE1 3.72Å; W424-F426 HydrophobicContact CB-CZ 4.3Å; W424-F426 AromaticContact CD2-CE1 3.81Å; W424-F426 HydrophobicContact CD2-CE1 3.81Å; W424-F426 HydrophobicContact CD2-CZ 4.48Å; W424-F426 HydrophobicContact CE3-CD1 4.17Å; W424-F426 AromaticContact CE3-CE1 3.46Å; W424-F426 HydrophobicContact CE3-CE1 3.46Å; W424-F426 VanDerWaalsContact CE3-CE1 3.46Å; W424-F426 HydrophobicContact CE3-CZ 4.44Å; W424-F426 AromaticContact CG-CE1 3.97Å; W424-F426 HydrophobicContact CG-CE1 3.97Å; W424-F426 HydrophobicContact CG-CZ 4.47Å; W424-F426 HydrophobicContact CZ3-CE1 4.29Å; W424-F426 PolarHBondContact O-N 2.98Å; F426-L433 HydrophobicContact CZ-CD1 4.49Å; F426-L442 HydrophobicContact CE2-CD1 3.77Å; F426-L442 HydrophobicContact CZ-CD1 3.9Å; F426-Y445 HydrophobicContact CB-CE1 4.46Å; F426-Y445 HydrophobicContact CB-CE2 4.16Å; F426-Y445 AromaticContact CD2-CD1 3.6Å; F426-Y445 HydrophobicContact CD2-CD1 3.6Å; F426-Y445 AromaticContact CD2-CD2 3.91Å; F426-Y445 HydrophobicContact CD2-CD2 3.91Å; F426-Y445 AromaticContact CD2-CE1 3.57Å; F426-Y445 HydrophobicContact CD2-CE1 3.57Å; F426-Y445 AromaticContact CD2-CE2 3.87Å; F426-Y445 HydrophobicContact CD2-CE2 3.87Å; F426-Y445 AromaticContact CD2-CG 3.78Å; F426-Y445 HydrophobicContact CD2-CG 3.78Å; F426-Y445 AromaticContact CD2-CZ 3.71Å; F426-Y445 AromaticContact CE2-CD1 3.84Å; F426-Y445 HydrophobicContact CE2-CD1 3.84Å; F426-Y445 HydrophobicContact CE2-CE1 4.17Å; F426-Y445 HydrophobicContact CE2-CG 4.08Å; F426-Y445 HydrophobicContact CG-CE1 4.31Å; F426-Y445 WeakPolarHBondContact O-CE2 3.44Å; F426-I698 HydrophobicContact CD1-CD1 4.12Å; F426-I698 HydrophobicContact CE1-CD1 3.52Å; F426-I698 HydrophobicContact CE1-CG1 3.71Å; F426-I698 HydrophobicContact CE2-CD1 4.28Å; F426-I698 HydrophobicContact CZ-CD1 3.64Å; F426-I698 HydrophobicContact CZ-CG1 3.99Å
427	L	87	Confident	89	Confident	29 Å²	29	39.9 Å²	39.9	15%	0.152	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-16.6	172.3	-65.2	173.6	0	0	0	112.2	K318 W424 E425 D429 I431 A441 Y445	K318-L427 PolarHBondContact NZ-O 3.42Å; W424-L427 HydrophobicContact CB-CB 4.5Å; W424-L427 PolarHBondContact O-N 3.47Å; W424-L427 VanDerWaalsContact O-N 3.11Å; E425-L427 VanDerWaalsContact C-N 3.27Å; E425-L427 PolarHBondContact O-N 3.48Å; L427-D429 HydrophobicContact CB-CB 4.36Å; L427-D429 PolarHBondContact O-N 3.25Å; L427-I431 HydrophobicContact CD1-CG2 3.68Å; L427-A441 HydrophobicContact CD1-CB 4.42Å; L427-Y445 HydrophobicContact CD2-CD2 4.19Å; L427-Y445 HydrophobicContact CD2-CG 4.15Å
428	D	87.6	Confident	89.1	Confident	54 Å²	54	37.9 Å²	37.9	29%	0.289	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.9	51.6	-163.5	-173.4	34.4	0	0	0	111	S316 Y423 W424 E425	S316-D428 WeakPolarHBondContact CA-O 3.46Å; S316-D428 WeakPolarHBondContact CB-OD1 3.3Å; S316-D428 PolarHBondContact OG-OD1 3.16Å; Y423-D428 WeakPolarHBondContact CE2-OD1 3.44Å; Y423-D428 PolarHBondContact OH-OD1 3.2Å; W424-D428 WeakPolarHBondContact O-CA 3.48Å; W424-D428 PolarHBondContact O-N 2.99Å; E425-D428 PolarHBondContact O-N 2.84Å
429	D	89.3	Confident	89.1	Confident	12 Å²	12	36.7 Å²	36.7	6%	0.064	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	157.8	178.2	-155	10.6	0	0	0	113.3	S316 C317 K318 T319 W424 L427	S316-D429 VanDerWaalsContact O-CA 3.25Å; S316-D429 WeakPolarHBondContact O-CA 3.46Å; C317-D429 VanDerWaalsContact CA-OD1 3.3Å; C317-D429 WeakPolarHBondContact CA-OD1 3.25Å; K318-D429 WeakPolarHBondContact CB-OD2 3.35Å; K318-D429 PolarHBondContact N-OD1 2.81Å; T319-D429 PolarHBondContact N-OD1 3.49Å; T319-D429 PolarHBondContact N-OD2 3.39Å; T319-D429 PolarHBondContact OG1-OD2 3.46Å; W424-D429 PolarHBondContact N-O 3.05Å; W424-D429 PolarHBondContact O-N 2.95Å; L427-D429 HydrophobicContact CB-CB 4.36Å; L427-D429 PolarHBondContact O-N 3.25Å
430	Y	91	Very high	89.1	Confident	6 Å²	6	38.1 Å²	38.1	2%	0.024	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	107.4	168	-68.7	-97.1	0	0	0	109.5	A313 S316 L360 F363 E422 Y423	A313-Y430 HydrophobicContact CB-CD2 4.37Å; A313-Y430 HydrophobicContact CB-CE2 3.57Å; S316-Y430 VanDerWaalsContact O-CD2 3.29Å; S316-Y430 WeakPolarHBondContact O-CD2 3.37Å; S316-Y430 PolarHBondContact O-N 2.96Å; L360-Y430 HydrophobicContact CB-CE1 4.13Å; L360-Y430 VanDerWaalsContact CB-OH 3.27Å; L360-Y430 WeakPolarHBondContact CB-OH 3.4Å; L360-Y430 PolarHBondContact O-OH 2.91Å; F363-Y430 HydrophobicContact CD1-CD1 4.17Å; F363-Y430 AromaticContact CE1-CD1 3.71Å; F363-Y430 HydrophobicContact CE1-CD1 3.71Å; F363-Y430 HydrophobicContact CE1-CE1 4.45Å; F363-Y430 AromaticContact CE1-CG 3.9Å; F363-Y430 HydrophobicContact CE1-CG 3.9Å; E422-Y430 WeakPolarHBondContact O-CA 3.11Å; Y423-Y430 HydrophobicContact CD2-CD2 4.21Å; Y423-Y430 AromaticContact CD2-CE2 3.84Å; Y423-Y430 HydrophobicContact CD2-CE2 3.84Å; Y423-Y430 HydrophobicContact CG-CE1 4.48Å
431	I	89.7	Confident	88.8	Confident	11 Å²	11	39.4 Å²	39.4	6%	0.056	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	143.8	-174.1	-159.9	157.2	0	0	0	112.5	E422 W424 L427 L433 A441	E422-I431 PolarHBondContact O-N 3.26Å; W424-I431 HydrophobicContact CG-CG2 4.19Å; W424-I431 PolarHBondContact NE1-O 2.91Å; L427-I431 HydrophobicContact CD1-CG2 3.68Å; I431-L433 HydrophobicContact CG2-CD2 3.83Å; I431-L433 HydrophobicContact CG2-CG 4.35Å; I431-A441 HydrophobicContact CD1-CB 3.53Å
432	D	91	Very high	88.5	Confident	12 Å²	12	37 Å²	37	6%	0.064	19%	0.193	C	C	.	.			trans	-90.3	99.7	170.9	-171.9	-16.5	0	0	0	109.1	W420 Y421 S434 S435 G438	W420-D432 PolarHBondContact N-OD2 3.47Å; W420-D432 WeakPolarHBondContact O-CA 3.39Å; W420-D432 WeakPolarHBondContact O-CB 3.47Å; Y421-D432 HydrophobicContact CD1-CB 4.26Å; Y421-D432 HydrophobicContact CE1-CB 4.32Å; D432-S434 PolarHBondContact O-N 3.47Å; D432-S434 VanDerWaalsContact O-N 3.1Å; D432-S434 WeakPolarHBondContact OD1-CA 3.18Å; D432-S434 VanDerWaalsContact OD1-CB 3.32Å; D432-S434 WeakPolarHBondContact OD1-CB 3.35Å; D432-S434 PolarHBondContact OD1-N 3.4Å; D432-S434 PolarHBondContact OD1-OG 3.31Å; D432-S434 PolarHBondContact OD2-OG 2.68Å; D432-S435 WeakPolarHBondContact O-CB 3.44Å; D432-S435 PolarHBondContact O-N 2.91Å; D432-S435 PolarHBondContact O-OG 3.15Å; D432-G438 WeakPolarHBondContact O-CA 3.46Å
433	L	88.6	Confident	88.4	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.016	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-5.4	178	-64.4	-175.5	0	0	0	113.9	W424 F426 I431 L439 L442 I698 A701	W424-L433 HydrophobicContact CD2-CD1 3.96Å; W424-L433 VanDerWaalsContact CE2-CD1 3.4Å; W424-L433 HydrophobicContact CE3-CD1 4.41Å; W424-L433 HydrophobicContact CH2-CD1 3.81Å; W424-L433 HydrophobicContact CZ2-CD1 3.34Å; W424-L433 HydrophobicContact CZ2-CG 3.95Å; W424-L433 HydrophobicContact CZ3-CD1 4.32Å; F426-L433 HydrophobicContact CZ-CD1 4.49Å; I431-L433 HydrophobicContact CG2-CD2 3.83Å; I431-L433 HydrophobicContact CG2-CG 4.35Å; L433-L439 WeakPolarHBondContact O-CD2 3.26Å; L433-L442 HydrophobicContact CD2-CB 4.26Å; L433-I698 HydrophobicContact CD1-CG1 4.34Å; L433-I698 HydrophobicContact CD1-CG2 4.21Å; L433-A701 HydrophobicContact CB-CB 4.22Å; L433-A701 HydrophobicContact CD1-CB 4.15Å
434	S	85.6	Confident	88.2	Confident	32 Å²	32	40.6 Å²	40.6	22%	0.224	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-9.6	171	76.3	0	0	0	0	113.6	D432	D432-S434 PolarHBondContact O-N 3.47Å; D432-S434 VanDerWaalsContact O-N 3.1Å; D432-S434 WeakPolarHBondContact OD1-CA 3.18Å; D432-S434 VanDerWaalsContact OD1-CB 3.32Å; D432-S434 WeakPolarHBondContact OD1-CB 3.35Å; D432-S434 PolarHBondContact OD1-N 3.4Å; D432-S434 PolarHBondContact OD1-OG 3.31Å; D432-S434 PolarHBondContact OD2-OG 2.68Å
435	S	86.8	Confident	88	Confident	35 Å²	35	43.1 Å²	43.1	25%	0.245	22%	0.224	C	C	.	.	S	Bend	trans	-85.2	158.3	174.6	74	0	0	0	0	112.5	D432 D437 G438 L439	D432-S435 WeakPolarHBondContact O-CB 3.44Å; D432-S435 PolarHBondContact O-N 2.91Å; D432-S435 PolarHBondContact O-OG 3.15Å; S435-D437 VanDerWaalsContact C-N 3.34Å; S435-D437 PolarHBondContact O-N 2.65Å; S435-G438 PolarHBondContact O-N 3.13Å; S435-G438 PolarHBondContact OG-N 3.39Å; S435-L439 WeakPolarHBondContact O-CG 3.29Å; S435-L439 PolarHBondContact O-N 3.44Å
436	E	86	Confident	88	Confident	91 Å²	91	35.5 Å²	35.5	43%	0.425	19%	0.189	S	C	.	.	H	α-helix	trans	-60.3	-43.5	175.6	-168.3	175.6	178.3	0	0	111.4	G438 L439 L440 L726 K735 F736	E436-G438 VanDerWaalsContact C-N 3.32Å; E436-G438 PolarHBondContact O-N 3.05Å; E436-L439 PolarHBondContact O-N 3.37Å; E436-L440 WeakPolarHBondContact O-CG 3.26Å; E436-L440 PolarHBondContact O-N 2.93Å; E436-L726 HydrophobicContact CB-CD1 4.4Å; E436-K735 IonicContact OE1-NZ 2.86Å; E436-F736 HydrophobicContact CG-CZ 3.89Å
437	D	85.9	Confident	87.9	Confident	121 Å²	121	36.8 Å²	36.8	65%	0.647	20%	0.203	S	C	*	.	H	α-helix	trans	-62.1	-39.4	177.1	-64.1	-34.1	0	0	0	112	S435 L440 A441	S435-D437 VanDerWaalsContact C-N 3.34Å; S435-D437 PolarHBondContact O-N 2.65Å; D437-L440 PolarHBondContact O-N 2.95Å; D437-A441 PolarHBondContact O-N 3.34Å
438	G	88.4	Confident	87.8	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.6	-40.5	175.5	0	0	0	0	0	113.7	D432 S435 E436 A441 L442	D432-G438 WeakPolarHBondContact O-CA 3.46Å; S435-G438 PolarHBondContact O-N 3.13Å; S435-G438 PolarHBondContact OG-N 3.39Å; E436-G438 VanDerWaalsContact C-N 3.32Å; E436-G438 PolarHBondContact O-N 3.05Å; G438-A441 PolarHBondContact O-N 2.9Å; G438-L442 WeakPolarHBondContact O-CB 3.42Å; G438-L442 PolarHBondContact O-N 2.77Å
439	L	89.4	Confident	87.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.5	-37.7	174.3	-68.6	174.7	0	0	0	111.8	L433 S435 E436 L442 E443 L702 L726 L728 F736	L433-L439 WeakPolarHBondContact O-CD2 3.26Å; S435-L439 WeakPolarHBondContact O-CG 3.29Å; S435-L439 PolarHBondContact O-N 3.44Å; E436-L439 PolarHBondContact O-N 3.37Å; L439-L442 PolarHBondContact O-N 3.31Å; L439-E443 VanDerWaalsContact O-CB 3.29Å; L439-E443 WeakPolarHBondContact O-CB 3.44Å; L439-E443 PolarHBondContact O-N 3.5Å; L439-L702 HydrophobicContact CD2-CD2 3.53Å; L439-L726 HydrophobicContact CD1-CD2 4.04Å; L439-L728 HydrophobicContact CD1-CD2 4.11Å; L439-L728 HydrophobicContact CD1-CG 4.48Å; L439-L728 HydrophobicContact CD2-CD1 4.25Å; L439-L728 HydrophobicContact CD2-CD2 4.1Å; L439-F736 HydrophobicContact CB-CD1 3.69Å; L439-F736 HydrophobicContact CB-CD2 4.49Å; L439-F736 HydrophobicContact CB-CE1 3.5Å; L439-F736 VanDerWaalsContact CB-CE1 3.5Å; L439-F736 HydrophobicContact CB-CE2 4.34Å; L439-F736 HydrophobicContact CB-CG 4.2Å; L439-F736 HydrophobicContact CB-CZ 3.86Å; L439-F736 HydrophobicContact CD1-CD2 4.22Å; L439-F736 HydrophobicContact CD1-CE2 4.14Å; L439-F736 HydrophobicContact CD1-CZ 4.41Å
440	L	89.4	Confident	86.1	Confident	77 Å²	77	44.3 Å²	44.3	40%	0.403	25%	0.253	S	S	.	.	H	α-helix	trans	-63.8	-45.3	174.8	-73.8	171.1	0	0	0	111.6	E436 D437 L442 E443 D444 F736	E436-L440 WeakPolarHBondContact O-CG 3.26Å; E436-L440 PolarHBondContact O-N 2.93Å; D437-L440 PolarHBondContact O-N 2.95Å; L440-L442 VanDerWaalsContact C-N 3.31Å; L440-L442 PolarHBondContact O-N 3.08Å; L440-E443 PolarHBondContact O-N 2.86Å; L440-D444 PolarHBondContact O-N 2.69Å; L440-F736 HydrophobicContact CB-CE1 4.43Å; L440-F736 HydrophobicContact CD2-CE1 3.62Å; L440-F736 HydrophobicContact CD2-CZ 4.22Å; L440-F736 HydrophobicContact CG-CE1 3.73Å; L440-F736 HydrophobicContact CG-CZ 4.18Å
441	A	87.6	Confident	84.5	Confident	32 Å²	32	48.9 Å²	48.9	26%	0.264	29%	0.286	S	S	.	.	H	α-helix	trans	-62.7	-39.3	176.7	0	0	0	0	0	112.1	L427 I431 D437 G438 Y445	L427-A441 HydrophobicContact CD1-CB 4.42Å; I431-A441 HydrophobicContact CD1-CB 3.53Å; D437-A441 PolarHBondContact O-N 3.34Å; G438-A441 PolarHBondContact O-N 2.9Å; A441-Y445 WeakPolarHBondContact O-CB 3.37Å; A441-Y445 PolarHBondContact O-N 2.97Å
442	L	87.9	Confident	82.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.7	-43.6	175	-179.3	63.1	0	0	0	111.7	F426 L433 G438 L439 L440 D444 Y445 L446 I698 L702	F426-L442 HydrophobicContact CE2-CD1 3.77Å; F426-L442 HydrophobicContact CZ-CD1 3.9Å; L433-L442 HydrophobicContact CD2-CB 4.26Å; G438-L442 WeakPolarHBondContact O-CB 3.42Å; G438-L442 PolarHBondContact O-N 2.77Å; L439-L442 PolarHBondContact O-N 3.31Å; L440-L442 VanDerWaalsContact C-N 3.31Å; L440-L442 PolarHBondContact O-N 3.08Å; L442-D444 VanDerWaalsContact C-N 3.34Å; L442-D444 PolarHBondContact O-N 3.3Å; L442-Y445 PolarHBondContact O-N 2.75Å; L442-L446 HydrophobicContact CD1-CD1 4.1Å; L442-L446 HydrophobicContact CD1-CD2 4.34Å; L442-L446 HydrophobicContact CD1-CG 3.99Å; L442-L446 HydrophobicContact CD2-CD1 4.44Å; L442-L446 HydrophobicContact CG-CD1 3.85Å; L442-L446 HydrophobicContact CG-CG 4.18Å; L442-L446 WeakPolarHBondContact O-CB 3.31Å; L442-L446 WeakPolarHBondContact O-CG 3.46Å; L442-L446 PolarHBondContact O-N 3.32Å; L442-I698 HydrophobicContact CD1-CD1 4.3Å; L442-I698 HydrophobicContact CD1-CG2 4.22Å; L442-I698 HydrophobicContact CD2-CG2 3.73Å; L442-L702 HydrophobicContact CD2-CD2 3.79Å
443	E	89.3	Confident	80.8	Confident	24 Å²	24	56.1 Å²	56.1	11%	0.112	33%	0.325	C	S	.	.	H	α-helix	trans	-59.8	-43.9	178.2	-172.9	72.5	-170.2	0	0	111.6	L439 L440 L446 S447 F736 T737 K738 C739	L439-E443 VanDerWaalsContact O-CB 3.29Å; L439-E443 WeakPolarHBondContact O-CB 3.44Å; L439-E443 PolarHBondContact O-N 3.5Å; L440-E443 PolarHBondContact O-N 2.86Å; E443-L446 PolarHBondContact O-N 3.08Å; E443-S447 VanDerWaalsContact O-CB 3.31Å; E443-S447 WeakPolarHBondContact O-CB 3.49Å; E443-S447 PolarHBondContact O-N 3.48Å; E443-S447 PolarHBondContact O-OG 3.42Å; E443-F736 HydrophobicContact CB-CD1 4.39Å; E443-F736 WeakPolarHBondContact OE2-CA 3.12Å; E443-T737 PolarHBondContact OE1-N 3Å; E443-T737 PolarHBondContact OE2-N 3.46Å; E443-K738 VanDerWaalsContact CD-N 3.33Å; E443-K738 WeakPolarHBondContact OE1-CB 3.45Å; E443-K738 WeakPolarHBondContact OE1-CG 3.38Å; E443-K738 PolarHBondContact OE1-N 3.2Å; E443-K738 WeakPolarHBondContact OE2-CB 3.3Å; E443-K738 PolarHBondContact OE2-N 3.29Å; E443-K738 VanDerWaalsContact OE2-N 3.09Å; E443-C739 PolarHBondContact OE2-N 3.19Å; E443-C739 PolarHBondContact OE2-SG 3.27Å
444	D	88.5	Confident	79	Confident	100 Å²	100	57.1 Å²	57.1	54%	0.535	33%	0.33	S	S	.	.	H	α-helix	trans	-63.5	-45	175.6	-175.8	59.1	0	0	0	111.5	L440 L442 L446 S447 N448	L440-D444 PolarHBondContact O-N 2.69Å; L442-D444 VanDerWaalsContact C-N 3.34Å; L442-D444 PolarHBondContact O-N 3.3Å; D444-L446 PolarHBondContact O-N 3.22Å; D444-S447 PolarHBondContact O-N 3.25Å; D444-N448 PolarHBondContact O-N 3.43Å; D444-N448 PolarHBondContact O-ND2 3.23Å; D444-N448 VanDerWaalsContact O-ND2 3.1Å; D444-N448 PolarHBondContact OD1-ND2 2.99Å
445	Y	86.9	Confident	76.8	Confident	61 Å²	61	60.7 Å²	60.7	24%	0.239	35%	0.347	C	S	.	.	H	α-helix	trans	-58.7	-48.9	174.9	174.6	-95.3	0	0	0	112	F426 L427 A441 L442 S447 N448 C449	F426-Y445 HydrophobicContact CB-CE1 4.46Å; F426-Y445 HydrophobicContact CB-CE2 4.16Å; F426-Y445 AromaticContact CD2-CD1 3.6Å; F426-Y445 HydrophobicContact CD2-CD1 3.6Å; F426-Y445 AromaticContact CD2-CD2 3.91Å; F426-Y445 HydrophobicContact CD2-CD2 3.91Å; F426-Y445 AromaticContact CD2-CE1 3.57Å; F426-Y445 HydrophobicContact CD2-CE1 3.57Å; F426-Y445 AromaticContact CD2-CE2 3.87Å; F426-Y445 HydrophobicContact CD2-CE2 3.87Å; F426-Y445 AromaticContact CD2-CG 3.78Å; F426-Y445 HydrophobicContact CD2-CG 3.78Å; F426-Y445 AromaticContact CD2-CZ 3.71Å; F426-Y445 AromaticContact CE2-CD1 3.84Å; F426-Y445 HydrophobicContact CE2-CD1 3.84Å; F426-Y445 HydrophobicContact CE2-CE1 4.17Å; F426-Y445 HydrophobicContact CE2-CG 4.08Å; F426-Y445 HydrophobicContact CG-CE1 4.31Å; F426-Y445 WeakPolarHBondContact O-CE2 3.44Å; L427-Y445 HydrophobicContact CD2-CD2 4.19Å; L427-Y445 HydrophobicContact CD2-CG 4.15Å; A441-Y445 WeakPolarHBondContact O-CB 3.37Å; A441-Y445 PolarHBondContact O-N 2.97Å; L442-Y445 PolarHBondContact O-N 2.75Å; Y445-S447 VanDerWaalsContact C-N 3.3Å; Y445-S447 PolarHBondContact O-N 3Å; Y445-N448 PolarHBondContact O-N 2.66Å; Y445-C449 VanDerWaalsContact O-CB 3.29Å; Y445-C449 WeakPolarHBondContact O-CB 3.5Å; Y445-C449 PolarHBondContact O-N 2.92Å
446	L	86	Confident	74.3	Confident	6 Å²	6	66.9 Å²	66.9	3%	0.031	37%	0.371	C	S	.	.	H	α-helix	trans	-65.9	-33.9	-179.9	-65.3	173.6	0	0	0	111.9	L442 E443 D444 N448 C449 L452 F695 K738 L742	L442-L446 HydrophobicContact CD1-CD1 4.1Å; L442-L446 HydrophobicContact CD1-CD2 4.34Å; L442-L446 HydrophobicContact CD1-CG 3.99Å; L442-L446 HydrophobicContact CD2-CD1 4.44Å; L442-L446 HydrophobicContact CG-CD1 3.85Å; L442-L446 HydrophobicContact CG-CG 4.18Å; L442-L446 WeakPolarHBondContact O-CB 3.31Å; L442-L446 WeakPolarHBondContact O-CG 3.46Å; L442-L446 PolarHBondContact O-N 3.32Å; E443-L446 PolarHBondContact O-N 3.08Å; D444-L446 PolarHBondContact O-N 3.22Å; L446-N448 VanDerWaalsContact C-N 3.35Å; L446-C449 PolarHBondContact O-N 3.45Å; L446-L452 HydrophobicContact CD2-CD1 3.27Å; L446-L452 HydrophobicContact CG-CD1 4.49Å; L446-F695 HydrophobicContact CD2-CE1 4.08Å; L446-K738 HydrophobicContact CB-CB 3.79Å; L446-K738 HydrophobicContact CB-CG 4.47Å; L446-K738 HydrophobicContact CD1-CB 4.07Å; L446-L742 HydrophobicContact CD1-CB 4.28Å; L446-L742 HydrophobicContact CD1-CD2 4.08Å; L446-L742 HydrophobicContact CD2-CD2 4.25Å
447	S	84.9	Confident	71.7	Confident	67 Å²	67	67.6 Å²	67.6	47%	0.469	38%	0.384	S	S	.	.	H	α-helix	trans	-67	-36.5	176.7	-62.1	0	0	0	0	112.3	E443 D444 Y445	E443-S447 VanDerWaalsContact O-CB 3.31Å; E443-S447 WeakPolarHBondContact O-CB 3.49Å; E443-S447 PolarHBondContact O-N 3.48Å; E443-S447 PolarHBondContact O-OG 3.42Å; D444-S447 PolarHBondContact O-N 3.25Å; Y445-S447 VanDerWaalsContact C-N 3.3Å; Y445-S447 PolarHBondContact O-N 3Å
448	N	83.9	Confident	68.9	Low	117 Å²	117	69.9 Å²	69.9	63%	0.626	39%	0.388	S	S	*	.	H	α-helix	trans	-85.2	-11.1	177.4	-65.8	-39	0	0	0	113	D444 Y445 L446 S450	D444-N448 PolarHBondContact O-N 3.43Å; D444-N448 PolarHBondContact O-ND2 3.23Å; D444-N448 VanDerWaalsContact O-ND2 3.1Å; D444-N448 PolarHBondContact OD1-ND2 2.99Å; Y445-N448 PolarHBondContact O-N 2.66Å; L446-N448 VanDerWaalsContact C-N 3.35Å; N448-S450 PolarHBondContact O-N 2.96Å
449	C	76.2	Confident	66.1	Low	19 Å²	19	79.7 Å²	79.7	13%	0.128	43%	0.431	C	S	.	.			trans	-81.7	97.9	-176.2	-163.7	0	0	0	0	111.6	Y445 L446 S451 L452	Y445-C449 VanDerWaalsContact O-CB 3.29Å; Y445-C449 WeakPolarHBondContact O-CB 3.5Å; Y445-C449 PolarHBondContact O-N 2.92Å; L446-C449 PolarHBondContact O-N 3.45Å; C449-S451 PolarHBondContact O-N 2.96Å; C449-S451 VanDerWaalsContact O-N 3.15Å; C449-L452 PolarHBondContact O-N 3.25Å
450	S	65.6	Low	63.1	Low	116 Å²	116	82.8 Å²	82.8	81%	0.811	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.2	174.9	41.3	0	0	0	0	114.1	N448 L452	N448-S450 PolarHBondContact O-N 2.96Å; S450-L452 PolarHBondContact O-N 3.45Å
451	S	56.5	Low	60.1	Low	103 Å²	103	85.7 Å²	85.7	72%	0.72	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-16.9	175.7	-47.8	0	0	0	0	113.6	C449	C449-S451 PolarHBondContact O-N 2.96Å; C449-S451 VanDerWaalsContact O-N 3.15Å
452	L	52.8	Low	57.2	Low	25 Å²	25	91 Å²	91	13%	0.131	51%	0.507	C	S	.	.			trans	-108	74.7	-178.9	-75.9	179	0	0	0	110.7	L446 C449 S450 I454 F695	L446-L452 HydrophobicContact CD2-CD1 3.27Å; L446-L452 HydrophobicContact CG-CD1 4.49Å; C449-L452 PolarHBondContact O-N 3.25Å; S450-L452 PolarHBondContact O-N 3.45Å; L452-I454 HydrophobicContact CB-CD1 3.82Å; L452-I454 HydrophobicContact CB-CG1 3.9Å; L452-I454 HydrophobicContact CD1-CD1 3.83Å; L452-I454 HydrophobicContact CD2-CD1 3.85Å; L452-I454 HydrophobicContact CD2-CG1 4.02Å; L452-I454 HydrophobicContact CG-CD1 4.05Å; L452-I454 HydrophobicContact CG-CG1 4.43Å; L452-I454 PolarHBondContact O-N 2.91Å; L452-F695 HydrophobicContact CD1-CE1 3.77Å; L452-F695 HydrophobicContact CD1-CZ 3.51Å; L452-F695 HydrophobicContact CD2-CE1 4.4Å; L452-F695 HydrophobicContact CD2-CE2 3.79Å; L452-F695 HydrophobicContact CD2-CZ 3.59Å; L452-F695 HydrophobicContact CG-CE1 4.47Å; L452-F695 HydrophobicContact CG-CE2 4.38Å; L452-F695 HydrophobicContact CG-CZ 3.73Å
453	N	50.5	Low	54.2	Low	149 Å²	149	96.1 Å²	96.1	80%	0.797	54%	0.543	S	S	*	.			trans	-68.4	70.8	160.3	-110.8	-17.6	0	0	0	109.1
454	I	51.4	Low	51.4	Low	25 Å²	25	101.8 Å²	101.8	13%	0.128	57%	0.574	C	S	.	*			trans	-86.8	10.8	175.1	-52	162.9	0	0	0	111.1	L452 H456 Q741	L452-I454 HydrophobicContact CB-CD1 3.82Å; L452-I454 HydrophobicContact CB-CG1 3.9Å; L452-I454 HydrophobicContact CD1-CD1 3.83Å; L452-I454 HydrophobicContact CD2-CD1 3.85Å; L452-I454 HydrophobicContact CD2-CG1 4.02Å; L452-I454 HydrophobicContact CG-CD1 4.05Å; L452-I454 HydrophobicContact CG-CG1 4.43Å; L452-I454 PolarHBondContact O-N 2.91Å; I454-H456 PolarHBondContact O-N 2.95Å; I454-Q741 HydrophobicContact CG2-CB 3.74Å; I454-Q741 HydrophobicContact CG2-CG 4.34Å
455	D	38.5	Very low	48.3	Very low	107 Å²	107	100 Å²	100	57%	0.572	58%	0.58	S	S	*	*			trans	-77.6	28.9	-176	-70.6	-17.6	0	0	0	114.9	P457 K738	D455-P457 WeakPolarHBondContact O-CD 3.48Å; D455-K738 IonicContact OD1-NZ 3.48Å; D455-K738 PolarHBondContact OD1-NZ 3.41Å
456	H	34.8	Very low	45.5	Very low	164 Å²	164	104.6 Å²	104.6	76%	0.759	61%	0.608	S	S	*	*			trans	-106.4	95.3	169.5	-139.9	-49.3	0	0	0	111.5	I454 F458	I454-H456 PolarHBondContact O-N 2.95Å; H456-F458 PolarHBondContact O-N 3.44Å
457	P	31.1	Very low	42.5	Very low	107 Å²	107	109.3 Å²	109.3	70%	0.695	64%	0.64	S	S	*	*			trans	-64	123.5	167.1	25.6	-29.5	0	0	0	108	D455 K459	D455-P457 WeakPolarHBondContact O-CD 3.48Å; P457-K459 PolarHBondContact O-N 3.21Å
458	F	28.4	Very low	39.7	Very low	168 Å²	168	112.9 Å²	112.9	74%	0.737	65%	0.653	S	S	*	*			trans	-62	102.8	174.1	-81.3	-93.9	0	0	0	108.7	H456 G460	H456-F458 PolarHBondContact O-N 3.44Å; F458-G460 VanDerWaalsContact C-N 3.35Å; F458-G460 PolarHBondContact O-N 3.36Å
459	K	28.3	Very low	37	Very low	206 Å²	206	114.1 Å²	114.1	90%	0.896	66%	0.66	S	S	*	*			trans	-68.3	98.1	167.4	-129.6	179.8	-174.8	179.9	0	107	P457 T461	P457-K459 PolarHBondContact O-N 3.21Å; K459-T461 PolarHBondContact O-N 3.37Å; K459-T461 VanDerWaalsContact O-N 3.14Å
460	G	27.7	Very low	34.6	Very low	65 Å²	65	118 Å²	118	67%	0.67	69%	0.688	S	S	*	*			trans	-52.8	116.2	178.6	0	0	0	0	0	110.8	F458 I462	F458-G460 VanDerWaalsContact C-N 3.35Å; F458-G460 PolarHBondContact O-N 3.36Å; G460-I462 PolarHBondContact O-N 3.24Å; G460-I462 VanDerWaalsContact O-N 3.08Å
461	T	25.2	Very low	32.6	Very low	139 Å²	139	117 Å²	117	85%	0.853	68%	0.68	S	S	*	*			trans	-76	91	170.1	1.7	0	0	0	0	107	K459 S463	K459-T461 PolarHBondContact O-N 3.37Å; K459-T461 VanDerWaalsContact O-N 3.14Å; T461-S463 VanDerWaalsContact C-N 3.29Å; T461-S463 PolarHBondContact O-N 3.27Å; T461-S463 VanDerWaalsContact O-N 3.11Å
462	I	27.4	Very low	31.1	Very low	143 Å²	143	118.9 Å²	118.9	73%	0.733	68%	0.682	S	S	*	*			trans	-75.8	91.1	163	-59.1	175.2	0	0	0	105.7	G460 N464	G460-I462 PolarHBondContact O-N 3.24Å; G460-I462 VanDerWaalsContact O-N 3.08Å; I462-N464 VanDerWaalsContact C-N 3.28Å; I462-N464 PolarHBondContact O-N 2.83Å; I462-N464 VanDerWaalsContact O-N 3.08Å
463	S	25.4	Very low	29.9	Very low	108 Å²	108	124 Å²	124	76%	0.755	71%	0.714	S	S	*	*			trans	-77.8	80.9	170	61.5	0	0	0	0	109.1	T461	T461-S463 VanDerWaalsContact C-N 3.29Å; T461-S463 PolarHBondContact O-N 3.27Å; T461-S463 VanDerWaalsContact O-N 3.11Å
464	N	28.7	Very low	28.7	Very low	142 Å²	142	125 Å²	125	76%	0.759	72%	0.715	S	S	*	*			trans	-103	119.1	157.4	-74.8	-8.8	0	0	0	106.9	I462	I462-N464 VanDerWaalsContact C-N 3.28Å; I462-N464 PolarHBondContact O-N 2.83Å; I462-N464 VanDerWaalsContact O-N 3.08Å
465	G	23.7	Very low	27.4	Very low	64 Å²	64	130.8 Å²	130.8	66%	0.66	75%	0.746	S	S	*	*			trans	-59.5	143.4	172.5	0	0	0	0	0	110.8
466	D	28.4	Very low	26.9	Very low	157 Å²	157	131 Å²	131	84%	0.84	76%	0.756	S	S	*	*				-176.1	126.4	108.2	-86.8	-23	0	0	0	110
467	C	24.1	Very low	26.4	Very low	105 Å²	105	128.8 Å²	128.8	71%	0.709	75%	0.753	S	S	*	*			trans	38.8	118	139.3	-63.9	0	0	0	0	122.1
468	L	25	Very low	26.2	Very low	142 Å²	142	130.4 Å²	130.4	74%	0.743	76%	0.761	S	S	*	*				85	125	122.9	-66.4	170.2	0	0	0	120.5
469	N	28.4	Very low	25.9	Very low	143 Å²	143	127.2 Å²	127.2	77%	0.765	76%	0.756	S	S	*	*			trans	74.1	141.4	150.2	-55.1	-16.7	0	0	0	116.2
470	S	23.9	Very low	25.7	Very low	101 Å²	101	124.4 Å²	124.4	71%	0.706	75%	0.75	S	S	*	*			cis	177.9	165	-11.2	46.9	0	0	0	0	104.5
471	S	25.7	Very low	25.7	Very low	94 Å²	94	127 Å²	127	66%	0.657	75%	0.753	S	S	*	*			trans	71.9	109.7	164.3	63.1	0	0	0	0	119.4
472	D	24.7	Very low	25.5	Very low	143 Å²	143	128.8 Å²	128.8	77%	0.765	76%	0.756	S	S	*	*				60	111.6	121.7	-49.2	-30.3	0	0	0	119
473	T	27.8	Very low	25.4	Very low	131 Å²	131	129.9 Å²	129.9	80%	0.804	76%	0.758	S	S	*	*				173.9	119.9	107.7	27.2	0	0	0	0	111.8
474	E	25	Very low	25.3	Very low	171 Å²	171	132.5 Å²	132.5	80%	0.799	76%	0.764	S	S	*	*			trans	43.3	124.4	136.3	-62.4	-177.1	164.3	0	0	122.6
475	D	24.1	Very low	25.2	Very low	146 Å²	146	132.4 Å²	132.4	78%	0.781	77%	0.768	S	S	*	*			trans	60.6	105.4	131.9	-66.1	-9.5	0	0	0	121.3
476	S	27.7	Very low	25.2	Very low	113 Å²	113	134.2 Å²	134.2	79%	0.79	77%	0.771	S	S	*	*				-152.3	97.5	128.5	74.5	0	0	0	0	111.1	V478	S476-V478 PolarHBondContact O-N 3.12Å
477	V	24.2	Very low	24.9	Very low	116 Å²	116	137.3 Å²	137.3	70%	0.703	77%	0.771	S	S	*	*			trans	-68.8	116.5	166.3	174.9	0	0	0	0	108.4	T479	V477-T479 HydrophobicContact CG1-CG2 3.82Å
478	V	26.8	Very low	24.9	Very low	141 Å²	141	138 Å²	138	86%	0.855	77%	0.771	S	S	*	*			trans	-120.6	86.1	160.5	-175.6	0	0	0	0	107.6	S476	S476-V478 PolarHBondContact O-N 3.12Å
479	T	22.8	Very low	24.9	Very low	102 Å²	102	137 Å²	137	63%	0.626	77%	0.767	S	S	*	*			trans	-72.8	128.7	168.7	34.9	0	0	0	0	111.1	V477	V477-T479 HydrophobicContact CG1-CG2 3.82Å
480	N	23.9	Very low	24.8	Very low	146 Å²	146	138.2 Å²	138.2	78%	0.781	77%	0.768	S	S	*	*			trans	38.6	112.4	137	-64.8	-19.2	0	0	0	118.9
481	V	26.8	Very low	24.8	Very low	120 Å²	120	139 Å²	139	73%	0.727	77%	0.769	S	S	*	*			trans	-133.1	89.5	138.7	-177.8	0	0	0	0	108	Q483	V481-Q483 HydrophobicContact CG1-CB 4.3Å; V481-Q483 HydrophobicContact CG1-CG 3.73Å; V481-Q483 PolarHBondContact O-N 3.33Å
482	L	20.7	Very low	24.8	Very low	176 Å²	176	142.3 Å²	142.3	92%	0.921	78%	0.778	S	S	*	*			trans	-69.8	111	155.6	-139.8	84.8	0	0	0	105.3
483	Q	25	Very low	24.7	Very low	167 Å²	167	140.6 Å²	140.6	78%	0.78	78%	0.777	S	S	*	*			trans	-113.2	116.8	168.7	-100.2	178.2	0.6	0	0	108.8	V481 V485	V481-Q483 HydrophobicContact CG1-CB 4.3Å; V481-Q483 HydrophobicContact CG1-CG 3.73Å; V481-Q483 PolarHBondContact O-N 3.33Å; Q483-V485 PolarHBondContact O-N 2.79Å
484	D	23.9	Very low	24.7	Very low	162 Å²	162	140.1 Å²	140.1	87%	0.866	78%	0.777	S	S	*	*			trans	-39.5	117.6	169.6	-76.1	-48.1	0	0	0	112.2
485	V	26.7	Very low	24.6	Very low	140 Å²	140	138 Å²	138	85%	0.848	78%	0.775	S	S	*	*			trans	-114.1	105.7	155	179.5	0	0	0	0	107	Q483	Q483-V485 PolarHBondContact O-N 2.79Å
486	S	24.1	Very low	24.7	Very low	103 Å²	103	138.6 Å²	138.6	72%	0.72	78%	0.778	S	S	*	*			trans	-53.2	132	175.1	32.6	0	0	0	0	112.5	T488	S486-T488 PolarHBondContact O-N 3.02Å
487	R	22.3	Very low	24.5	Very low	222 Å²	222	141.1 Å²	141.1	84%	0.838	78%	0.781	S	S	*	*			trans	-7.4	115.9	157.5	-74.6	173.7	162.6	159.4	-6.7	115.6
488	T	24.4	Very low	24.4	Very low	118 Å²	118	142.6 Å²	142.6	72%	0.724	79%	0.785	S	S	*	*			trans	-105.2	106.3	150.7	41.7	0	0	0	0	107.9	S486 H490	S486-T488 PolarHBondContact O-N 3.02Å; T488-H490 PolarHBondContact O-N 3.33Å
489	D	24.1	Very low	24.3	Very low	122 Å²	122	146.2 Å²	146.2	65%	0.652	79%	0.789	S	S	*	*			trans	-70.2	103.7	175.3	-68.4	-44.6	0	0	0	109.3
490	H	25.9	Very low	24.3	Very low	168 Å²	168	148.8 Å²	148.8	78%	0.778	80%	0.799	S	S	*	*			trans	-103.6	74.8	158.8	-62.4	-42.9	0	0	0	107.9	T488 L492	T488-H490 PolarHBondContact O-N 3.33Å; H490-L492 PolarHBondContact O-N 2.84Å
491	T	24.3	Very low	24.5	Very low	119 Å²	119	149.2 Å²	149.2	73%	0.73	80%	0.801	S	S	*	*			trans	-67.8	97.8	168	34.2	0	0	0	0	108.8	S493	T491-S493 PolarHBondContact O-N 3.37Å; T491-S493 VanDerWaalsContact O-N 3.07Å
492	L	26	Very low	24.3	Very low	162 Å²	162	148.2 Å²	148.2	85%	0.848	80%	0.8	S	S	*	*			trans	-52	112.1	158.4	-73.6	163.6	0	0	0	107.4	H490 P494	H490-L492 PolarHBondContact O-N 2.84Å; L492-P494 WeakPolarHBondContact O-CD 3.32Å
493	S	22.1	Very low	24.6	Very low	107 Å²	107	147.2 Å²	147.2	75%	0.748	80%	0.795	S	S	*	*			trans	-60.6	115.6	-177.9	-76.3	0	0	0	0	111	T491	T491-S493 PolarHBondContact O-N 3.37Å; T491-S493 VanDerWaalsContact O-N 3.07Å
494	P	27.2	Very low	24.5	Very low	122 Å²	122	145.8 Å²	145.8	79%	0.792	79%	0.793	S	S	*	*			trans	-93.6	98.7	169	7.9	13.9	0	0	0	107.8	L492 L496	L492-P494 WeakPolarHBondContact O-CD 3.32Å; P494-L496 PolarHBondContact O-N 2.57Å
495	T	23.7	Very low	24.7	Very low	126 Å²	126	145.3 Å²	145.3	77%	0.773	79%	0.791	S	S	*	*			trans	-82.4	96.2	173.3	-51.3	0	0	0	0	109.5
496	L	26.5	Very low	24.6	Very low	159 Å²	159	145.6 Å²	145.6	83%	0.832	79%	0.788	S	S	*	*			trans	151.6	86.8	139.2	-86.6	150.4	0	0	0	110.8	P494	P494-L496 PolarHBondContact O-N 2.57Å
497	L	23.3	Very low	24.7	Very low	165 Å²	165	146.4 Å²	146.4	86%	0.864	79%	0.788	S	S	*	*			trans	-79.4	116.1	157.2	-75.9	167.7	0	0	0	108.7
498	L	22.7	Very low	24.9	Very low	148 Å²	148	145.6 Å²	145.6	78%	0.775	79%	0.791	S	S	*	*			trans	-152.7	109	142.1	-84.8	178.4	0	0	0	104.9
499	F	24.7	Very low	24.9	Very low	217 Å²	217	144.6 Å²	144.6	95%	0.952	80%	0.795	S	S	*	*			trans	163.3	95.5	146.1	-77.7	-55.2	0	0	0	107
500	D	22.9	Very low	25.1	Very low	155 Å²	155	144.8 Å²	144.8	83%	0.829	80%	0.802	S	S	*	*			trans	-85.5	121.5	169	-154	3.9	0	0	0	106.4
501	D	27.2	Very low	25.1	Very low	155 Å²	155	143 Å²	143	83%	0.829	80%	0.804	S	S	*	*			trans	-170.6	121.9	139.3	-102.4	-22	0	0	0	110.9
502	S	22.6	Very low	25	Very low	100 Å²	100	143.4 Å²	143.4	70%	0.699	81%	0.806	S	S	*	*			trans	-46.1	137.3	168.5	53.9	0	0	0	0	114
503	N	27	Very low	25.3	Very low	154 Å²	154	141.1 Å²	141.1	82%	0.824	80%	0.801	S	S	*	*				-177.6	137.7	101.5	-137.6	-13.3	0	0	0	111.3
504	N	23	Very low	25.3	Very low	137 Å²	137	143.3 Å²	143.3	73%	0.733	80%	0.802	S	S	*	*			trans	-57.7	143	172.6	-71	-40.2	0	0	0	111.8
505	N	27.6	Very low	25.4	Very low	152 Å²	152	144.8 Å²	144.8	81%	0.813	80%	0.802	S	S	*	*				176.8	112.3	119.8	-82.8	-19.2	0	0	0	111.4
506	D	25.2	Very low	25.4	Very low	147 Å²	147	150.1 Å²	150.1	79%	0.786	81%	0.808	S	S	*	*			trans	22.8	104.4	146.3	-63.8	-33.5	0	0	0	120.3
507	V	25	Very low	25.6	Very low	120 Å²	120	146 Å²	146	73%	0.727	80%	0.803	S	S	*	*				36.1	106.8	111.9	-174.3	0	0	0	0	116.4
508	F	27.9	Very low	25.8	Very low	204 Å²	204	147.7 Å²	147.7	90%	0.895	80%	0.804	S	S	*	*				-157.7	116.2	123.8	-97.6	-72.4	0	0	0	109.2	P510	F508-P510 WeakPolarHBondContact O-CD 3.23Å
509	A	23.3	Very low	26	Very low	98 Å²	98	149.2 Å²	149.2	81%	0.81	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67.6	125.1	-178.1	0	0	0	0	0	112.3
510	P	28.6	Very low	26.2	Very low	125 Å²	125	144.9 Å²	144.9	81%	0.812	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-101.9	142.2	170.3	33.1	-22	0	0	0	112.1	F508	F508-P510 WeakPolarHBondContact O-CD 3.23Å
511	T	25.5	Very low	26.5	Very low	132 Å²	132	143.2 Å²	143.2	81%	0.81	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-67.7	142.5	-173.2	48.8	0	0	0	0	114.7
512	T	23.7	Very low	26.3	Very low	126 Å²	126	145.8 Å²	145.8	77%	0.773	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-58.3	136.8	175.8	51.4	0	0	0	0	114.7
513	P	30.8	Very low	26.5	Very low	114 Å²	114	146.6 Å²	146.6	74%	0.74	81%	0.81	S	S	*	*			trans	-124.8	107.5	152.7	28.9	-11.6	0	0	0	111.1
514	I	23.4	Very low	26.4	Very low	153 Å²	153	146.9 Å²	146.9	79%	0.785	81%	0.812	S	S	*	*			trans	-74.5	120.8	169	-65.4	165.2	0	0	0	107.9
515	I	28.5	Very low	26.6	Very low	153 Å²	153	145.9 Å²	145.9	79%	0.785	82%	0.815	S	S	*	*			trans	-125.4	121.1	169.7	-61	179.2	0	0	0	109.2	G517	I515-G517 PolarHBondContact O-N 3.05Å
516	R	25.2	Very low	26.5	Very low	239 Å²	239	144.9 Å²	144.9	90%	0.902	82%	0.815	S	S	*	*			trans	-80.1	101.9	177.2	-69.2	177.8	176.2	-176.6	-2.1	109.7
517	G	29.1	Very low	26.6	Very low	71 Å²	71	144.7 Å²	144.7	73%	0.732	81%	0.812	S	S	*	*			trans	-85.8	115.1	175.5	0	0	0	0	0	112.5	I515	I515-G517 PolarHBondContact O-N 3.05Å
518	K	28.8	Very low	26.9	Very low	202 Å²	202	146.5 Å²	146.5	88%	0.878	82%	0.818	S	S	*	*			trans	-78.5	125.8	162.8	-92	178.8	173.2	177.1	0	109	V520	K518-V520 PolarHBondContact O-N 3.41Å
519	L	26.6	Very low	26.7	Very low	179 Å²	179	148.4 Å²	148.4	94%	0.937	82%	0.819	S	S	*	*			trans	-63.8	120.7	172.7	-104.5	86.1	0	0	0	110.5
520	V	29.3	Very low	26.8	Very low	126 Å²	126	152.5 Å²	152.5	76%	0.764	82%	0.822	S	S	*	*			trans	-113.1	138.1	163.7	176.6	0	0	0	0	107.8	K518	K518-V520 PolarHBondContact O-N 3.41Å
521	P	27.7	Very low	26.7	Very low	121 Å²	121	154 Å²	154	79%	0.786	82%	0.822	S	S	*	*			trans	-78.4	146.4	-168.3	-8.2	26.3	0	0	0	113.2
522	K	24.3	Very low	26.8	Very low	209 Å²	209	157.5 Å²	157.5	91%	0.909	83%	0.826	S	S	*	*			trans	-64.1	129.7	-175.7	-67.6	170.5	175.4	175.1	0	112.9
523	S	25.7	Very low	26.8	Very low	116 Å²	116	161 Å²	161	81%	0.811	83%	0.834	S	S	*	*			trans	-126	132	155.6	58.1	0	0	0	0	109.5
524	N	24.9	Very low	26.7	Very low	160 Å²	160	159.8 Å²	159.8	86%	0.856	83%	0.828	S	S	*	*			trans	-74	133.9	-173.2	-60.8	-34.5	0	0	0	112.4
525	S	28.6	Very low	26.9	Very low	116 Å²	116	158 Å²	158	81%	0.811	83%	0.829	S	S	*	*			trans	-167.2	111.5	142.9	56.3	0	0	0	0	110.9
526	T	25.1	Very low	27.1	Very low	131 Å²	131	158.6 Å²	158.6	80%	0.804	83%	0.834	S	S	*	*			trans	-54.2	142.9	162.2	-41.7	0	0	0	0	111
527	I	27.3	Very low	27.5	Very low	143 Å²	143	150.9 Å²	150.9	73%	0.733	82%	0.817	S	S	*	*			trans	161.2	138.5	135.6	-82.7	158.4	0	0	0	111.3
528	N	31.7	Very low	27.9	Very low	159 Å²	159	153.7 Å²	153.7	85%	0.85	81%	0.811	S	S	*	*			trans	87	83.3	168.3	-62.8	-19.9	0	0	0	119.1
529	R	23.4	Very low	28.5	Very low	244 Å²	244	151.9 Å²	151.9	92%	0.921	81%	0.805	S	S	*	*			trans	-102.3	108.9	162.9	170.2	-177.7	175.8	163.6	-1.1	107
530	E	25.6	Very low	28.9	Very low	183 Å²	183	150.1 Å²	150.1	86%	0.855	79%	0.786	S	S	*	*			trans	-175.9	144	150.1	-106.9	168.7	-154.1	0	0	111
531	L	26	Very low	29.2	Very low	157 Å²	157	147.6 Å²	147.6	82%	0.822	77%	0.768	S	S	*	*			trans	76.3	79.4	173.8	-67.1	153.4	0	0	0	117.6
532	F	26.5	Very low	29.9	Very low	205 Å²	205	145.3 Å²	145.3	90%	0.899	76%	0.755	S	S	*	*				-157.9	90	128.8	-101.8	-74.7	0	0	0	108.4	S534	F532-S534 PolarHBondContact O-N 3.4Å
533	E	24.1	Very low	30.5	Very low	199 Å²	199	143.8 Å²	143.8	93%	0.93	75%	0.745	S	S	*	*			trans	-74.6	105.3	159.9	-80.3	179.3	148.3	0	0	108.4
534	S	29.6	Very low	30.9	Very low	89 Å²	89	147 Å²	147	62%	0.622	74%	0.739	S	S	*	*			trans	-150.9	86.3	154.1	60.8	0	0	0	0	108	F532	F532-S534 PolarHBondContact O-N 3.4Å
535	S	27.1	Very low	31.8	Very low	116 Å²	116	147.3 Å²	147.3	81%	0.811	74%	0.735	S	S	*	*			trans	31.1	118.3	141.1	9.7	0	0	0	0	118.8
536	N	33	Very low	32.6	Very low	166 Å²	166	148.3 Å²	148.3	89%	0.888	73%	0.732	S	S	*	*			trans	79.8	40	146.7	-94	1.7	0	0	0	120.3
537	S	33.8	Very low	33	Very low	77 Å²	77	150.2 Å²	150.2	54%	0.538	73%	0.729	S	S	.	*			trans	-96.4	8.3	167.4	64	0	0	0	0	115.7	W540	S537-W540 PolarHBondContact O-NE1 3.02Å
538	Q	37.9	Very low	33.2	Very low	130 Å²	130	146.4 Å²	146.4	61%	0.607	73%	0.725	S	S	*	*			trans	-96.1	-7.6	-173.9	-72.7	-79.8	-33.1	0	0	115.1	S542	Q538-S542 PolarHBondContact O-N 2.7Å; Q538-S542 PolarHBondContact O-OG 3.37Å
539	H	39.4	Very low	33.2	Very low	164 Å²	164	143.8 Å²	143.8	76%	0.759	72%	0.718	S	S	*	*	H	α-helix	trans	-72.1	-32.3	-178.6	-165.9	-96	0	0	0	113.5	Y543	H539-Y543 PolarHBondContact O-N 2.87Å
540	W	36	Very low	33.6	Very low	142 Å²	142	140.2 Å²	140.2	54%	0.538	72%	0.715	S	S	.	*	H	α-helix	trans	-81	-19.8	179.3	79.2	-86	0	0	0	113.4	S537 R544	S537-W540 PolarHBondContact O-NE1 3.02Å; W540-R544 PolarHBondContact O-N 3.24Å
541	L	34.9	Very low	33.9	Very low	73 Å²	73	139.9 Å²	139.9	38%	0.382	71%	0.713	S	S	.	*	H	α-helix	trans	-71.4	-39.9	172.9	-88.6	150.1	0	0	0	111.1	Y543 R544 Q545	L541-Y543 VanDerWaalsContact C-N 3.34Å; L541-Y543 PolarHBondContact O-N 3.43Å; L541-R544 PolarHBondContact O-N 2.87Å; L541-Q545 PolarHBondContact O-N 3.08Å
542	S	42.2	Very low	34.1	Very low	72 Å²	72	135.1 Å²	135.1	50%	0.503	70%	0.702	S	S	.	*	H	α-helix	trans	-63.6	-38.3	173.4	-56.1	0	0	0	0	112.2	Q538 R544 Q545 D546	Q538-S542 PolarHBondContact O-N 2.7Å; Q538-S542 PolarHBondContact O-OG 3.37Å; S542-R544 VanDerWaalsContact C-N 3.28Å; S542-R544 PolarHBondContact O-N 3.25Å; S542-Q545 PolarHBondContact O-N 3.04Å; S542-D546 PolarHBondContact O-N 3.21Å
543	Y	38.9	Very low	34.3	Very low	178 Å²	178	133.2 Å²	133.2	70%	0.698	70%	0.7	S	S	*	*	H	α-helix	trans	-62.1	-32.7	176.2	-176.8	-99.7	0	0	0	113.2	H539 L541	H539-Y543 PolarHBondContact O-N 2.87Å; L541-Y543 VanDerWaalsContact C-N 3.34Å; L541-Y543 PolarHBondContact O-N 3.43Å
544	R	33.2	Very low	34.6	Very low	183 Å²	183	130.7 Å²	130.7	69%	0.691	69%	0.693	S	S	*	*	H	α-helix	trans	-82	-19.6	176.6	-83.5	-168.1	176.7	-173.9	-0.6	114.4	W540 L541 S542	W540-R544 PolarHBondContact O-N 3.24Å; L541-R544 PolarHBondContact O-N 2.87Å; S542-R544 VanDerWaalsContact C-N 3.28Å; S542-R544 PolarHBondContact O-N 3.25Å
545	Q	44.5	Very low	34.8	Very low	167 Å²	167	131.2 Å²	131.2	78%	0.78	69%	0.689	S	S	*	*	H	α-helix	trans	-81	-28	173.6	-95.6	174.5	-10.3	0	0	112.6	L541 S542	L541-Q545 PolarHBondContact O-N 3.08Å; S542-Q545 PolarHBondContact O-N 3.04Å
546	D	44.4	Very low	35	Very low	137 Å²	137	130 Å²	130	73%	0.733	68%	0.68	S	S	*	*	H	α-helix	trans	-77.8	-21.6	-176	-164.3	52.9	0	0	0	114.2	S542	S542-D546 PolarHBondContact O-N 3.21Å
547	K	34.6	Very low	35.2	Very low	171 Å²	171	127.1 Å²	127.1	74%	0.743	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.5	64.8	172.7	-64.2	-157.4	177.3	-171	0	111.7	C549	K547-C549 PolarHBondContact O-N 3.39Å; K547-C549 VanDerWaalsContact O-N 3.11Å
548	G	29.7	Very low	35	Very low	63 Å²	63	131 Å²	131	65%	0.649	67%	0.674	S	S	*	*			trans	-68.4	98.2	172	0	0	0	0	0	112.1
549	C	32.4	Very low	34.6	Very low	104 Å²	104	132.7 Å²	132.7	70%	0.703	69%	0.687	S	S	*	*			trans	-156.2	107	145.6	-101.7	0	0	0	0	109.5	K547 H551	K547-C549 PolarHBondContact O-N 3.39Å; K547-C549 VanDerWaalsContact O-N 3.11Å; C549-H551 PolarHBondContact O-N 3.13Å
550	I	31.2	Very low	34.1	Very low	169 Å²	169	129.2 Å²	129.2	87%	0.867	68%	0.681	S	S	*	*			trans	-81.1	108.4	171.4	-56.9	172	0	0	0	106	G552	I550-G552 PolarHBondContact O-N 3.23Å
551	H	33	Very low	33.8	Very low	176 Å²	176	128.1 Å²	128.1	82%	0.815	69%	0.693	S	S	*	*			trans	-69.6	83.4	167.1	-68.3	-66.4	0	0	0	109.1	C549 L553	C549-H551 PolarHBondContact O-N 3.13Å; H551-L553 PolarHBondContact O-N 3.33Å
552	G	30.2	Very low	33.4	Very low	56 Å²	56	133.4 Å²	133.4	58%	0.577	72%	0.715	S	S	*	*			trans	-68.5	110.4	165.9	0	0	0	0	0	108.9	I550 N554	I550-G552 PolarHBondContact O-N 3.23Å; G552-N554 PolarHBondContact O-N 3.4Å
553	L	29.7	Very low	32.6	Very low	166 Å²	166	138.8 Å²	138.8	87%	0.869	73%	0.732	S	S	*	*			trans	-67.5	75.8	167.9	-67.7	171.6	0	0	0	109.1	H551 D555	H551-L553 PolarHBondContact O-N 3.33Å; L553-D555 PolarHBondContact O-N 2.77Å
554	N	31	Very low	31.9	Very low	146 Å²	146	136.3 Å²	136.3	78%	0.781	74%	0.736	S	S	*	*			trans	-83.5	91.8	169.6	-91.6	1.2	0	0	0	108.6	G552 S556	G552-N554 PolarHBondContact O-N 3.4Å; N554-S556 VanDerWaalsContact C-N 3.32Å; N554-S556 PolarHBondContact O-N 3.09Å; N554-S556 VanDerWaalsContact O-N 3.13Å
555	D	33.9	Very low	31.6	Very low	100 Å²	100	135.6 Å²	135.6	54%	0.535	75%	0.746	S	S	.	*			trans	-77.9	80.7	169.8	-156.9	14.9	0	0	0	108.4	R397 L553	R397-D555 IonicContact NH2-OD2 3.9Å; L553-D555 PolarHBondContact O-N 2.77Å
556	S	32.1	Very low	30.5	Very low	89 Å²	89	132.1 Å²	132.1	62%	0.622	74%	0.74	S	S	*	*			trans	-148.7	87.8	171.1	-153.1	0	0	0	0	109.7	N554 E558	N554-S556 VanDerWaalsContact C-N 3.32Å; N554-S556 PolarHBondContact O-N 3.09Å; N554-S556 VanDerWaalsContact O-N 3.13Å; S556-E558 PolarHBondContact O-N 3.09Å
557	L	35.9	Very low	29.5	Very low	107 Å²	107	132.5 Å²	132.5	56%	0.56	74%	0.742	S	S	*	*			trans	-85.9	65.3	169.3	-72.8	168.7	0	0	0	109.2
558	E	30.1	Very low	29	Very low	158 Å²	158	132.4 Å²	132.4	74%	0.738	75%	0.748	S	S	*	*			trans	-121.9	110.1	164	-77.8	-177.2	177	0	0	106.5	S556	S556-E558 PolarHBondContact O-N 3.09Å
559	N	29.4	Very low	28.6	Very low	166 Å²	166	137.3 Å²	137.3	89%	0.888	75%	0.754	S	S	*	*			trans	171.2	89.5	152	-83.5	-27.4	0	0	0	109.4
560	S	28.3	Very low	28.3	Very low	91 Å²	91	137.5 Å²	137.5	64%	0.636	76%	0.756	S	S	*	*			trans	-160.1	125.6	138.7	-160	0	0	0	0	108.5	E562	S560-E562 PolarHBondContact O-N 2.76Å
561	P	30	Very low	27.8	Very low	119 Å²	119	135.8 Å²	135.8	77%	0.773	74%	0.744	S	S	*	*			trans	-76.4	116.2	-176.5	30.2	-30.7	0	0	0	109.7	Q563	P561-Q563 PolarHBondContact O-N 2.91Å
562	E	27.4	Very low	27.5	Very low	184 Å²	184	136.9 Å²	136.9	86%	0.86	75%	0.75	S	S	*	*			trans	-77.9	96.9	166.2	-70.3	178.1	171	0	0	108.5	S560 T564	S560-E562 PolarHBondContact O-N 2.76Å; E562-T564 PolarHBondContact O-N 3.48Å
563	Q	23.6	Very low	27.1	Very low	184 Å²	184	141.2 Å²	141.2	86%	0.86	76%	0.755	S	S	*	*			trans	-83.7	88.9	156.7	-80.6	-176.3	-4.3	0	0	108	P561	P561-Q563 PolarHBondContact O-N 2.91Å
564	T	26	Very low	26.8	Very low	127 Å²	127	141.5 Å²	141.5	78%	0.779	75%	0.754	S	S	*	*			trans	-131.1	115.1	152.4	43.8	0	0	0	0	108.5	E562	E562-T564 PolarHBondContact O-N 3.48Å
565	N	25.1	Very low	26.6	Very low	167 Å²	167	140.4 Å²	140.4	89%	0.893	76%	0.758	S	S	*	*			trans	-62.6	133.4	-177	-75.3	-42.1	0	0	0	110.9
566	S	22.7	Very low	26.1	Very low	95 Å²	95	139.2 Å²	139.2	66%	0.664	77%	0.769	S	S	*	*			trans	-57	159.6	169.2	53.2	0	0	0	0	114.3
567	N	22.9	Very low	25.7	Very low	145 Å²	145	138.7 Å²	138.7	78%	0.775	78%	0.777	S	S	*	*			trans	95	89.7	154.4	-62.4	-15.4	0	0	0	117.7
568	I	24.5	Very low	25.1	Very low	169 Å²	169	136.9 Å²	136.9	87%	0.867	79%	0.785	S	S	*	*				-133.1	114.7	127.5	-59.6	-176.4	0	0	0	108.1
569	H	21.2	Very low	24.9	Very low	166 Å²	166	137.3 Å²	137.3	77%	0.769	79%	0.792	S	S	*	*			trans	-93.4	118.7	177.3	-156	64.7	0	0	0	106.7	H571	H569-H571 AromaticContact NE2-CD2 3.94Å
570	S	25.9	Very low	24.8	Very low	108 Å²	108	134.1 Å²	134.1	76%	0.755	78%	0.783	S	S	*	*			trans	-139.9	92.5	166.3	57.4	0	0	0	0	109.2	E572	S570-E572 PolarHBondContact O-N 3.34Å
571	H	21.3	Very low	24.9	Very low	133 Å²	133	136.8 Å²	136.8	62%	0.616	79%	0.789	S	S	*	*			trans	-54	120.7	156.2	-105.8	-103.1	0	0	0	109.1	H569	H569-H571 AromaticContact NE2-CD2 3.94Å
572	E	26.1	Very low	24.8	Very low	198 Å²	198	139.4 Å²	139.4	93%	0.925	80%	0.796	S	S	*	*			trans	-133.5	112	146.9	-81.6	-167.6	159.3	0	0	109	S570	S570-E572 PolarHBondContact O-N 3.34Å
573	E	22.1	Very low	25	Very low	148 Å²	148	139.1 Å²	139.1	69%	0.692	79%	0.792	S	S	*	*			trans	-86.8	149.2	178.9	-102.7	176.5	-169.6	0	0	110.2
574	M	22.1	Very low	25.3	Very low	172 Å²	172	135 Å²	135	85%	0.847	79%	0.789	S	S	*	*			trans	71.9	111.1	147.5	-61.8	-73.2	-136.5	0	0	118.7
575	S	27.5	Very low	25.6	Very low	123 Å²	123	134.6 Å²	134.6	86%	0.86	79%	0.786	S	S	*	*			trans	-151.1	103	131.9	-175.2	0	0	0	0	109.9
576	G	22.6	Very low	26.2	Very low	75 Å²	75	133.2 Å²	133.2	77%	0.773	78%	0.784	S	S	*	*			trans	-70.7	150.2	167.9	0	0	0	0	0	111.7
577	G	25.3	Very low	26.8	Very low	77 Å²	77	132.8 Å²	132.8	79%	0.794	78%	0.777	S	S	*	*			trans	-161.8	103.8	170.1	0	0	0	0	0	107.9
578	G	22	Very low	27.7	Very low	69 Å²	69	128.5 Å²	128.5	71%	0.711	76%	0.758	S	S	*	*			trans	-69.9	158.3	173.5	0	0	0	0	0	111.5
579	D	27	Very low	28.9	Very low	167 Å²	167	125.5 Å²	125.5	89%	0.893	75%	0.75	S	S	*	*				-171.4	140.8	108.9	-98.2	-20.7	0	0	0	111.4
580	S	26.4	Very low	29.8	Very low	100 Å²	100	123 Å²	123	70%	0.699	74%	0.741	S	S	*	*			trans	-52.7	147.2	170.8	52.2	0	0	0	0	113.7
581	I	30.5	Very low	30.8	Very low	147 Å²	147	121 Å²	121	75%	0.754	72%	0.724	S	S	*	*				-165.6	102.8	126.3	-87.9	142.4	0	0	0	107	K583	I581-K583 HydrophobicContact CG2-CG 4.08Å; I581-K583 PolarHBondContact O-N 2.94Å; I581-K583 VanDerWaalsContact O-N 3.15Å
582	D	28.8	Very low	31.6	Very low	173 Å²	173	124 Å²	124	93%	0.925	73%	0.73	S	S	*	*			trans	-63.1	104	166	-87.3	-42.3	0	0	0	109.5
583	K	30.2	Very low	32.2	Very low	178 Å²	178	119.6 Å²	119.6	77%	0.774	71%	0.712	S	S	*	*			trans	-105	97	157.7	-81.2	-176.2	177.9	176.7	0	107.7	I581 V585	I581-K583 HydrophobicContact CG2-CG 4.08Å; I581-K583 PolarHBondContact O-N 2.94Å; I581-K583 VanDerWaalsContact O-N 3.15Å; K583-V585 VanDerWaalsContact C-N 3.32Å; K583-V585 PolarHBondContact O-N 2.72Å
584	A	30.3	Very low	32.8	Very low	98 Å²	98	117.4 Å²	117.4	81%	0.81	70%	0.704	S	S	*	*			trans	-57.9	93.8	169.1	0	0	0	0	0	109.6	V586	A584-V586 PolarHBondContact O-N 3.14Å
585	V	33.4	Very low	33.5	Very low	118 Å²	118	117.1 Å²	117.1	72%	0.715	70%	0.699	S	S	*	*			trans	-70.5	109.1	172.1	176.3	0	0	0	0	107	K583 V587	K583-V585 VanDerWaalsContact C-N 3.32Å; K583-V585 PolarHBondContact O-N 2.72Å; V585-V587 VanDerWaalsContact C-N 3.3Å; V585-V587 WeakPolarHBondContact O-CG2 3.36Å; V585-V587 PolarHBondContact O-N 2.88Å
586	V	36.2	Very low	34.2	Very low	138 Å²	138	121.7 Å²	121.7	84%	0.836	70%	0.697	S	S	*	*			trans	-64.7	93.1	172	178.9	0	0	0	0	107.6	A584 S588	A584-V586 PolarHBondContact O-N 3.14Å; V586-S588 PolarHBondContact O-N 3.27Å; V586-S588 VanDerWaalsContact O-N 3.13Å
587	V	35.2	Very low	34.6	Very low	86 Å²	86	122.9 Å²	122.9	52%	0.521	69%	0.685	S	S	.	*			trans	-66.9	112	-179.9	178.9	0	0	0	0	108.6	V585 V591	V585-V587 VanDerWaalsContact C-N 3.3Å; V585-V587 WeakPolarHBondContact O-CG2 3.36Å; V585-V587 PolarHBondContact O-N 2.88Å; V587-V591 HydrophobicContact CG1-CB 3.5Å; V587-V591 VanDerWaalsContact CG1-CB 3.5Å; V587-V591 HydrophobicContact CG1-CG1 3.57Å; V587-V591 HydrophobicContact CG1-CG2 4.11Å
588	S	43.8	Very low	35.1	Very low	56 Å²	56	124 Å²	124	39%	0.392	68%	0.677	S	S	.	*			trans	-45.7	142.4	-179.2	167.7	0	0	0	0	112.5	V586 I590 V591	V586-S588 PolarHBondContact O-N 3.27Å; V586-S588 VanDerWaalsContact O-N 3.13Å; S588-I590 PolarHBondContact O-N 2.66Å; S588-I590 PolarHBondContact OG-N 3.46Å; S588-V591 PolarHBondContact O-N 2.86Å
589	P	49.1	Very low	35.8	Very low	106 Å²	106	130.1 Å²	130.1	69%	0.688	68%	0.684	S	S	*	*	H	α-helix	trans	-49.1	-28.1	177.1	-27.1	33.4	0	0	0	114.1	V591 R592 L593	P589-V591 PolarHBondContact O-N 2.84Å; P589-R592 CarbonylContact O-C 3.12Å; P589-R592 WeakPolarHBondContact O-CB 3.34Å; P589-R592 PolarHBondContact O-N 3.18Å; P589-L593 WeakPolarHBondContact O-CB 3.46Å; P589-L593 PolarHBondContact O-N 3.14Å
590	I	39.1	Very low	36.1	Very low	112 Å²	112	127.6 Å²	127.6	57%	0.574	67%	0.674	S	S	*	*	H	α-helix	trans	-63.7	-39.4	178.3	-63.8	171	0	0	0	111.5	S588 R592 L593 L594	S588-I590 PolarHBondContact O-N 2.66Å; S588-I590 PolarHBondContact OG-N 3.46Å; I590-R592 VanDerWaalsContact C-N 3.32Å; I590-R592 PolarHBondContact O-N 3.14Å; I590-L593 WeakPolarHBondContact O-CB 3.46Å; I590-L593 PolarHBondContact O-N 3.12Å; I590-L594 HydrophobicContact CG2-CD1 3.94Å; I590-L594 HydrophobicContact CG2-CG 4.39Å; I590-L594 WeakPolarHBondContact O-CB 3.39Å; I590-L594 VanDerWaalsContact O-CG 3.26Å; I590-L594 WeakPolarHBondContact O-CG 3.4Å; I590-L594 PolarHBondContact O-N 3.39Å
591	V	47.5	Very low	36.4	Very low	66 Å²	66	126.1 Å²	126.1	40%	0.4	66%	0.664	S	S	.	*	H	α-helix	trans	-72.3	-31.3	177.5	177.6	0	0	0	0	110.8	V587 S588 P589 L593 L594 K595	V587-V591 HydrophobicContact CG1-CB 3.5Å; V587-V591 VanDerWaalsContact CG1-CB 3.5Å; V587-V591 HydrophobicContact CG1-CG1 3.57Å; V587-V591 HydrophobicContact CG1-CG2 4.11Å; S588-V591 PolarHBondContact O-N 2.86Å; P589-V591 PolarHBondContact O-N 2.84Å; V591-L593 VanDerWaalsContact C-N 3.35Å; V591-L594 PolarHBondContact O-N 3.12Å; V591-K595 WeakPolarHBondContact O-CB 3.39Å; V591-K595 PolarHBondContact O-N 3.45Å
592	R	37.2	Very low	36.6	Very low	198 Å²	198	124.2 Å²	124.2	75%	0.747	66%	0.661	S	S	*	*	H	α-helix	trans	-69.3	-34.8	172.1	-150.4	-178.2	-161.3	105.6	-0.4	111.7	P589 I590 R596	P589-R592 CarbonylContact O-C 3.12Å; P589-R592 WeakPolarHBondContact O-CB 3.34Å; P589-R592 PolarHBondContact O-N 3.18Å; I590-R592 VanDerWaalsContact C-N 3.32Å; I590-R592 PolarHBondContact O-N 3.14Å; R592-R596 PolarHBondContact O-N 3.47Å
593	L	38.7	Very low	36.9	Very low	104 Å²	104	120.9 Å²	120.9	55%	0.545	64%	0.641	S	S	.	*	H	α-helix	trans	-69.5	-42.9	173.1	-158.4	83.3	0	0	0	111	P589 I590 V591 R596 L597	P589-L593 WeakPolarHBondContact O-CB 3.46Å; P589-L593 PolarHBondContact O-N 3.14Å; I590-L593 WeakPolarHBondContact O-CB 3.46Å; I590-L593 PolarHBondContact O-N 3.12Å; V591-L593 VanDerWaalsContact C-N 3.35Å; L593-R596 CarbonylContact O-C 3.54Å; L593-R596 WeakPolarHBondContact O-CA 3.34Å; L593-R596 WeakPolarHBondContact O-CB 3.32Å; L593-R596 PolarHBondContact O-N 3.37Å; L593-L597 HydrophobicContact CD2-CD1 4.2Å; L593-L597 HydrophobicContact CG-CD1 4.12Å; L593-L597 WeakPolarHBondContact O-CB 3.47Å; L593-L597 WeakPolarHBondContact O-CG 3.39Å; L593-L597 PolarHBondContact O-N 2.95Å
594	L	34.7	Very low	37.2	Very low	102 Å²	102	121.6 Å²	121.6	53%	0.534	64%	0.639	S	S	.	*	H	α-helix	trans	-65.8	-37.7	176.9	-72.9	167.9	0	0	0	112	I590 V591 R596 L597 T598	I590-L594 HydrophobicContact CG2-CD1 3.94Å; I590-L594 HydrophobicContact CG2-CG 4.39Å; I590-L594 WeakPolarHBondContact O-CB 3.39Å; I590-L594 VanDerWaalsContact O-CG 3.26Å; I590-L594 WeakPolarHBondContact O-CG 3.4Å; I590-L594 PolarHBondContact O-N 3.39Å; V591-L594 PolarHBondContact O-N 3.12Å; L594-R596 VanDerWaalsContact C-N 3.25Å; L594-R596 PolarHBondContact O-N 2.87Å; L594-L597 CarbonylContact O-C 3.43Å; L594-L597 PolarHBondContact O-N 3.34Å; L594-L597 VanDerWaalsContact O-N 3.14Å; L594-T598 PolarHBondContact O-N 3.47Å; L594-T598 VanDerWaalsContact O-N 3.15Å
595	K	38.8	Very low	37.5	Very low	167 Å²	167	127.8 Å²	127.8	73%	0.726	64%	0.642	S	S	*	*	H	α-helix	trans	-67.4	-22	170.3	-86.3	-171.2	172.6	-175.5	0	113.8	V591 T598	V591-K595 WeakPolarHBondContact O-CB 3.39Å; V591-K595 PolarHBondContact O-N 3.45Å; K595-T598 PolarHBondContact O-OG1 3.29Å; K595-T598 VanDerWaalsContact O-OG1 3.13Å
596	R	40.3	Very low	37.8	Very low	219 Å²	219	128.7 Å²	128.7	83%	0.826	64%	0.642	S	S	*	*	H	α-helix	trans	-83.5	-24	170.5	-90.2	-177.4	158.2	-170.4	-5.5	112.6	R592 L593 L594	R592-R596 PolarHBondContact O-N 3.47Å; L593-R596 CarbonylContact O-C 3.54Å; L593-R596 WeakPolarHBondContact O-CA 3.34Å; L593-R596 WeakPolarHBondContact O-CB 3.32Å; L593-R596 PolarHBondContact O-N 3.37Å; L594-R596 VanDerWaalsContact C-N 3.25Å; L594-R596 PolarHBondContact O-N 2.87Å
597	L	31.7	Very low	37.9	Very low	99 Å²	99	133.2 Å²	133.2	52%	0.518	64%	0.644	S	S	.	*			trans	-95.5	4.7	-178.7	-74.1	167.8	0	0	0	113.7	L593 L594 F599	L593-L597 HydrophobicContact CD2-CD1 4.2Å; L593-L597 HydrophobicContact CG-CD1 4.12Å; L593-L597 WeakPolarHBondContact O-CB 3.47Å; L593-L597 WeakPolarHBondContact O-CG 3.39Å; L593-L597 PolarHBondContact O-N 2.95Å; L594-L597 CarbonylContact O-C 3.43Å; L594-L597 PolarHBondContact O-N 3.34Å; L594-L597 VanDerWaalsContact O-N 3.14Å; L597-F599 VanDerWaalsContact C-N 3.28Å; L597-F599 WeakPolarHBondContact O-CD2 3.38Å; L597-F599 WeakPolarHBondContact O-CE2 3.47Å; L597-F599 PolarHBondContact O-N 3.24Å
598	T	37.1	Very low	37.9	Very low	101 Å²	101	133.1 Å²	133.1	62%	0.62	65%	0.652	S	S	*	*	S	Bend	trans	-65.4	96.7	163.4	47	0	0	0	0	108.2	L594 K595 V600	L594-T598 PolarHBondContact O-N 3.47Å; L594-T598 VanDerWaalsContact O-N 3.15Å; K595-T598 PolarHBondContact O-OG1 3.29Å; K595-T598 VanDerWaalsContact O-OG1 3.13Å; T598-V600 PolarHBondContact O-N 3.02Å; T598-V600 VanDerWaalsContact O-N 3.15Å
599	F	35.6	Very low	37.2	Very low	198 Å²	198	133 Å²	133	87%	0.868	66%	0.66	S	S	*	*			trans	-39	104	-171.8	-68.6	-95.9	0	0	0	114.3	L597	L597-F599 VanDerWaalsContact C-N 3.28Å; L597-F599 WeakPolarHBondContact O-CD2 3.38Å; L597-F599 WeakPolarHBondContact O-CE2 3.47Å; L597-F599 PolarHBondContact O-N 3.24Å
600	V	33.4	Very low	36.2	Very low	113 Å²	113	135.1 Å²	135.1	69%	0.685	67%	0.666	S	S	*	*			trans	-77.8	116.9	159.8	179.6	0	0	0	0	106.7	T598	T598-V600 PolarHBondContact O-N 3.02Å; T598-V600 VanDerWaalsContact O-N 3.15Å
601	S	33.5	Very low	35.8	Very low	69 Å²	69	138.3 Å²	138.3	48%	0.483	68%	0.678	S	S	.	*			trans	-48.3	142.8	-171.3	69.6	0	0	0	0	113.7	M603 R604	S601-M603 PolarHBondContact O-N 3.14Å; S601-R604 PolarHBondContact O-N 3.32Å
602	P	34.3	Very low	34.9	Very low	107 Å²	107	141.6 Å²	141.6	70%	0.695	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.1	-19.8	179.2	-28.6	35.3	0	0	0	116.1	R604 W605	P602-R604 PolarHBondContact O-N 3.38Å; P602-W605 WeakPolarHBondContact O-CB 3.38Å; P602-W605 PolarHBondContact O-N 3.07Å
603	M	34.6	Very low	34.6	Very low	104 Å²	104	139 Å²	139	51%	0.512	70%	0.699	S	S	.	*	H	α-helix	trans	-59.5	-21.2	178.9	-73.6	-62.4	-77.7	0	0	114.4	S601 R607	S601-M603 PolarHBondContact O-N 3.14Å; M603-R607 PolarHBondContact O-N 3.03Å
604	R	36.7	Very low	34.1	Very low	193 Å²	193	137.5 Å²	137.5	73%	0.728	71%	0.709	S	S	*	*	H	α-helix	trans	-79.9	-21.5	176.9	-157.9	160.9	-176.1	173.1	-0.5	113.5	S601 P602	S601-R604 PolarHBondContact O-N 3.32Å; P602-R604 PolarHBondContact O-N 3.38Å
605	W	36.8	Very low	33.9	Very low	228 Å²	228	140.5 Å²	140.5	86%	0.864	73%	0.725	S	S	*	*	H	α-helix	trans	-70.6	-36.4	171.9	-79.9	57.9	0	0	0	111.2	P602 R607 A608	P602-W605 WeakPolarHBondContact O-CB 3.38Å; P602-W605 PolarHBondContact O-N 3.07Å; W605-R607 PolarHBondContact O-N 3.18Å; W605-A608 PolarHBondContact O-N 2.88Å
606	L	39.1	Very low	33.2	Very low	137 Å²	137	135.9 Å²	135.9	72%	0.717	73%	0.725	S	S	*	*	H	α-helix	trans	-70.1	-30.3	178.5	-91.8	149.4	0	0	0	113.7	A608	L606-A608 VanDerWaalsContact C-N 3.33Å; L606-A608 PolarHBondContact O-N 2.88Å
607	R	39.1	Very low	32.6	Very low	232 Å²	232	134.6 Å²	134.6	88%	0.875	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-10.3	179.6	-153.8	179	-85.6	-173.4	-4.1	113.9	M603 W605	M603-R607 PolarHBondContact O-N 3.03Å; W605-R607 PolarHBondContact O-N 3.18Å
608	A	34.5	Very low	32.3	Very low	84 Å²	84	140 Å²	140	69%	0.694	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-11.5	177.5	0	0	0	0	0	113.7	W605 L606 N610	W605-A608 PolarHBondContact O-N 2.88Å; L606-A608 VanDerWaalsContact C-N 3.33Å; L606-A608 PolarHBondContact O-N 2.88Å; A608-N610 PolarHBondContact O-N 2.98Å
609	G	30.6	Very low	31.8	Very low	55 Å²	55	140.1 Å²	140.1	57%	0.567	75%	0.752	S	S	*	*	S	Bend	trans	-94.8	61.7	-179.7	0	0	0	0	0	112.9
610	N	28.1	Very low	31.1	Very low	150 Å²	150	139.3 Å²	139.3	80%	0.802	76%	0.756	S	S	*	*			trans	-162.8	57.1	166	-92.5	-22.9	0	0	0	110.7	A608	A608-N610 PolarHBondContact O-N 2.98Å
611	Q	29.3	Very low	30.8	Very low	179 Å²	179	140.1 Å²	140.1	84%	0.836	76%	0.761	S	S	*	*			trans	-127.3	90.8	154	-83.2	-176.6	-2.8	0	0	106.5	D613	Q611-D613 PolarHBondContact O-N 2.81Å
612	V	28.6	Very low	30.3	Very low	135 Å²	135	142.9 Å²	142.9	82%	0.818	78%	0.776	S	S	*	*			trans	-85	91	169	179.4	0	0	0	0	105.5
613	D	30.5	Very low	29.9	Very low	144 Å²	144	144.2 Å²	144.2	77%	0.77	78%	0.777	S	S	*	*			trans	-103.9	129.7	159.5	-79	-35.4	0	0	0	107.9	Q611	Q611-D613 PolarHBondContact O-N 2.81Å
614	G	29.5	Very low	29.5	Very low	72 Å²	72	147 Å²	147	74%	0.742	79%	0.794	S	S	*	*	S	Bend	trans	-59.3	158.4	-174.5	0	0	0	0	0	113.4
615	D	29.8	Very low	28.9	Very low	165 Å²	165	145 Å²	145	88%	0.882	80%	0.796	S	S	*	*	S	Bend	trans	74	86.3	-177	-71.8	-11	0	0	0	116.4
616	G	25.4	Very low	28.3	Very low	69 Å²	69	141.2 Å²	141.2	71%	0.711	79%	0.791	S	S	*	*				37.8	114.2	119.2	0	0	0	0	0	118.3
617	Q	25.9	Very low	27.6	Very low	192 Å²	192	140 Å²	140	90%	0.897	79%	0.791	S	S	*	*			trans	74.2	103.4	158.5	-55.2	-178.7	-12.7	0	0	116.6
618	K	26.9	Very low	26.8	Very low	214 Å²	214	136.6 Å²	136.6	93%	0.93	79%	0.789	S	S	*	*			trans	-136.7	112.9	145.6	-75	-168.1	178.8	169.6	0	112.2
619	S	25.9	Very low	26.3	Very low	103 Å²	103	144.1 Å²	144.1	72%	0.72	80%	0.799	S	S	*	*			trans	-58.8	139.3	164.2	48.4	0	0	0	0	111.8	T621	S619-T621 PolarHBondContact O-N 2.88Å
620	L	21.7	Very low	26.1	Very low	181 Å²	181	148.5 Å²	148.5	95%	0.948	81%	0.81	S	S	*	*			trans	-49.7	114	170.8	-75	131.6	0	0	0	111.2
621	T	26.1	Very low	26	Very low	129 Å²	129	146.2 Å²	146.2	79%	0.791	81%	0.812	S	S	*	*			trans	-117.4	114.6	159.4	42.5	0	0	0	0	108	S619 D623	S619-T621 PolarHBondContact O-N 2.88Å; T621-D623 PolarHBondContact O-N 3.37Å
622	T	23.9	Very low	25.7	Very low	128 Å²	128	144.6 Å²	144.6	79%	0.785	81%	0.809	S	S	*	*			trans	-54.8	116	164.1	43	0	0	0	0	108.5
623	D	24.1	Very low	25.5	Very low	134 Å²	134	143.5 Å²	143.5	72%	0.717	81%	0.807	S	S	*	*			trans	179.2	100	146.5	-86.3	-22.8	0	0	0	108.7	T621	T621-D623 PolarHBondContact O-N 3.37Å
624	N	26.6	Very low	25.3	Very low	162 Å²	162	143.6 Å²	143.6	87%	0.866	81%	0.813	S	S	*	*			trans	-158.4	66.5	155.3	-89.6	-34.5	0	0	0	107.6
625	I	23.8	Very low	25	Very low	152 Å²	152	146 Å²	146	78%	0.779	81%	0.813	S	S	*	*			trans	-87.5	104.7	167	-60.9	171.7	0	0	0	106.1
626	I	24.2	Very low	24.7	Very low	148 Å²	148	144.7 Å²	144.7	76%	0.759	81%	0.807	S	S	*	*			trans	-113.2	117.7	165.2	-59.9	177.4	0	0	0	107.1
627	P	24.6	Very low	24.7	Very low	111 Å²	111	150.3 Å²	150.3	72%	0.721	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-81.8	133.5	-169.3	30.6	-31.8	0	0	0	112.2	R629	P627-R629 PolarHBondContact O-N 3.13Å
628	I	22.9	Very low	24.5	Very low	162 Å²	162	149.4 Å²	149.4	83%	0.831	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-74.6	117.9	173.6	-61.4	169.3	0	0	0	107.5
629	R	24.7	Very low	24.4	Very low	241 Å²	241	145.6 Å²	145.6	91%	0.909	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-95.2	120.1	177.3	-155.7	177.1	-170.9	179.7	1.9	108.5	P627 A631	P627-R629 PolarHBondContact O-N 3.13Å; R629-A631 PolarHBondContact O-N 2.86Å
630	D	26.6	Very low	24.1	Very low	147 Å²	147	143.7 Å²	143.7	79%	0.786	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-60.4	120.7	-178.5	-63.5	-52.7	0	0	0	111.8	N632	D630-N632 PolarHBondContact O-N 2.66Å
631	A	25.2	Very low	24.2	Very low	102 Å²	102	145.3 Å²	145.3	84%	0.843	80%	0.798	S	S	*	*			trans	-93	77.3	174.2	0	0	0	0	0	109.6	R629	R629-A631 PolarHBondContact O-N 2.86Å
632	N	23.5	Very low	24	Very low	146 Å²	146	148.4 Å²	148.4	78%	0.781	80%	0.804	S	S	*	*			trans	-119.6	128.1	164	-84.1	-13.1	0	0	0	109.8	D630	D630-N632 PolarHBondContact O-N 2.66Å
633	S	24.1	Very low	24	Very low	112 Å²	112	147 Å²	147	78%	0.783	80%	0.799	S	S	*	*			trans	66.6	102.7	167.4	73.6	0	0	0	0	117.5
634	T	26.4	Very low	24	Very low	146 Å²	146	148.1 Å²	148.1	90%	0.896	80%	0.8	S	S	*	*			trans	-151.8	86.3	144.5	6	0	0	0	0	108.8	N636	T634-N636 PolarHBondContact O-N 2.77Å
635	T	22	Very low	23.9	Very low	121 Å²	121	147.9 Å²	147.9	74%	0.742	80%	0.798	S	S	*	*			trans	-57.7	119	149.4	44.4	0	0	0	0	108.4
636	N	24.3	Very low	23.8	Very low	139 Å²	139	150.7 Å²	150.7	74%	0.743	80%	0.798	S	S	*	*				171.5	132.4	126.3	-90.7	-32.3	0	0	0	113.7	T634	T634-N636 PolarHBondContact O-N 2.77Å
637	K	24.8	Very low	23.9	Very low	186 Å²	186	152.8 Å²	152.8	81%	0.809	80%	0.803	S	S	*	*			trans	76.5	104.4	145.3	-70.5	179.4	176.4	-179.5	0	118.7	V639	K637-V639 PolarHBondContact O-N 2.94Å
638	L	21.4	Very low	23.9	Very low	173 Å²	173	151.8 Å²	151.8	91%	0.906	80%	0.798	S	S	*	*			trans	-23.8	123.4	145	-83.2	83.3	0	0	0	113.2
639	V	25.1	Very low	24	Very low	134 Å²	134	151.5 Å²	151.5	81%	0.812	80%	0.798	S	S	*	*			trans	-124.3	113.4	143	176.2	0	0	0	0	105.6	K637	K637-V639 PolarHBondContact O-N 2.94Å
640	G	21.1	Very low	24.2	Very low	64 Å²	64	149.2 Å²	149.2	66%	0.66	80%	0.795	S	S	*	*			trans	-65.7	134.9	-179	0	0	0	0	0	111.6
641	Y	23.3	Very low	24.1	Very low	215 Å²	215	153 Å²	153	84%	0.843	80%	0.798	S	S	*	*			trans	-129.4	99.6	147.7	-100.9	-86.5	0	0	0	106.6	S643	Y641-S643 PolarHBondContact O-N 2.55Å
642	E	20.5	Very low	24	Very low	194 Å²	194	159.7 Å²	159.7	91%	0.907	80%	0.802	S	S	*	*			trans	-55.5	115.4	162	-74	178.2	151.4	0	0	108.2
643	S	24.7	Very low	24.2	Very low	97 Å²	97	160.8 Å²	160.8	68%	0.678	81%	0.805	S	S	*	*			trans	-134.7	95.4	158.2	28.5	0	0	0	0	106.6	Y641 L645	Y641-S643 PolarHBondContact O-N 2.55Å; S643-L645 PolarHBondContact O-N 3.27Å
644	E	23.3	Very low	24.3	Very low	158 Å²	158	160.2 Å²	160.2	74%	0.738	80%	0.802	S	S	*	*			trans	-49.4	100.2	169.9	-69.3	-174.3	158.5	0	0	109.6	R646	E644-R646 PolarHBondContact O-N 2.76Å; E644-R646 IonicContact OE2-NE 3.21Å; E644-R646 IonicContact OE2-NH2 3.9Å
645	L	24.4	Very low	24.2	Very low	157 Å²	157	158.3 Å²	158.3	82%	0.822	80%	0.801	S	S	*	*			trans	-71.2	80.9	166	-85.7	154.8	0	0	0	108.1	S643 F647	S643-L645 PolarHBondContact O-N 3.27Å; L645-F647 WeakPolarHBondContact O-CD2 3.34Å; L645-F647 PolarHBondContact O-N 3.42Å; L645-F647 VanDerWaalsContact O-N 3.07Å
646	R	23.1	Very low	24.3	Very low	211 Å²	211	157.9 Å²	157.9	80%	0.796	80%	0.802	S	S	*	*			trans	-64.5	106	165.9	-74.4	-169.9	-176.6	-167.3	-0.2	108.7	E644 S648	E644-R646 PolarHBondContact O-N 2.76Å; E644-R646 IonicContact OE2-NE 3.21Å; E644-R646 IonicContact OE2-NH2 3.9Å; R646-S648 VanDerWaalsContact C-N 3.35Å; R646-S648 PolarHBondContact O-N 2.76Å
647	F	25.2	Very low	24.4	Very low	193 Å²	193	156 Å²	156	85%	0.846	80%	0.801	S	S	*	*			trans	-58.6	92	166	-73.3	-89.3	0	0	0	110	L645 N649	L645-F647 WeakPolarHBondContact O-CD2 3.34Å; L645-F647 PolarHBondContact O-N 3.42Å; L645-F647 VanDerWaalsContact O-N 3.07Å; F647-N649 PolarHBondContact O-N 3Å
648	S	25.5	Very low	24.6	Very low	89 Å²	89	155.5 Å²	155.5	62%	0.622	81%	0.805	S	S	*	*			trans	-82.4	98.8	170.6	65.9	0	0	0	0	109.2	R646 K650	R646-S648 VanDerWaalsContact C-N 3.35Å; R646-S648 PolarHBondContact O-N 2.76Å; S648-K650 PolarHBondContact O-N 3.07Å
649	N	25.7	Very low	25	Very low	156 Å²	156	154.8 Å²	154.8	83%	0.834	80%	0.797	S	S	*	*			trans	-51.1	94	164.6	-76.1	-32.8	0	0	0	110.5	F647 R651	F647-N649 PolarHBondContact O-N 3Å; N649-R651 PolarHBondContact O-N 2.89Å; N649-R651 VanDerWaalsContact O-N 3.08Å
650	K	27	Very low	24.9	Very low	193 Å²	193	153.8 Å²	153.8	84%	0.839	80%	0.795	S	S	*	*			trans	-79.5	96.7	175.6	-78	-173.8	178.4	178.6	0	110	S648	S648-K650 PolarHBondContact O-N 3.07Å
651	R	26.1	Very low	25.3	Very low	227 Å²	227	158.4 Å²	158.4	86%	0.857	80%	0.804	S	S	*	*			trans	-48.4	127.3	166.6	-75.2	175.5	176.7	172.2	-1.6	112.1	N649 I653	N649-R651 PolarHBondContact O-N 2.89Å; N649-R651 VanDerWaalsContact O-N 3.08Å; R651-I653 PolarHBondContact O-N 3.32Å
652	R	22.7	Very low	25.4	Very low	243 Å²	243	155.7 Å²	155.7	92%	0.917	80%	0.804	S	S	*	*			trans	-3.7	106.8	139.9	-154.5	175.9	-157.5	161.7	3.7	114.1
653	I	27.2	Very low	25.8	Very low	168 Å²	168	151.2 Å²	151.2	86%	0.862	79%	0.794	S	S	*	*			trans	-99	112.4	166.7	-61.6	175.1	0	0	0	107.2	R651	R651-I653 PolarHBondContact O-N 3.32Å
654	S	26.6	Very low	26.2	Very low	101 Å²	101	152.7 Å²	152.7	71%	0.706	80%	0.802	S	S	*	*			trans	-69.3	140.8	176	32.4	0	0	0	0	111.9
655	A	23.3	Very low	26.5	Very low	106 Å²	106	153.3 Å²	153.3	88%	0.876	81%	0.809	S	S	*	*			trans	-72.8	124.1	176.3	0	0	0	0	0	111.6
656	S	25.9	Very low	26.7	Very low	111 Å²	111	154.8 Å²	154.8	78%	0.776	81%	0.812	S	S	*	*			trans	-158.2	137.8	162	53.1	0	0	0	0	110.5
657	S	26.2	Very low	27	Very low	101 Å²	101	154.1 Å²	154.1	71%	0.706	82%	0.815	S	S	*	*			trans	70.4	86.1	171.2	-78.4	0	0	0	0	118
658	I	29.1	Very low	27.3	Very low	174 Å²	174	151 Å²	151	89%	0.892	81%	0.814	S	S	*	*			trans	-90.6	106.8	149.6	-63.9	174.6	0	0	0	106.2
659	H	28.8	Very low	27.4	Very low	159 Å²	159	150.6 Å²	150.6	74%	0.736	82%	0.823	S	S	*	*			trans	-71.1	134.6	169	-87.6	-86	0	0	0	110.1	L661	H659-L661 PolarHBondContact O-N 3.12Å
660	S	23.4	Very low	27.7	Very low	113 Å²	113	146.5 Å²	146.5	79%	0.79	82%	0.818	S	S	*	*			trans	-51.7	124.9	167.6	-58.3	0	0	0	0	111.5
661	L	30	Very low	27.7	Very low	161 Å²	161	147.2 Å²	147.2	84%	0.843	82%	0.821	S	S	*	*			trans	-120.8	103.4	156	-116.1	100.4	0	0	0	107.4	H659	H659-L661 PolarHBondContact O-N 3.12Å
662	D	23.8	Very low	27.9	Very low	157 Å²	157	146.2 Å²	146.2	84%	0.84	82%	0.823	S	S	*	*			trans	-67.8	125.9	165.6	-84.5	-42.4	0	0	0	109.6
663	S	29.9	Very low	28.2	Very low	100 Å²	100	143.7 Å²	143.7	70%	0.699	82%	0.821	S	S	*	*			trans	-157.9	138.2	156.4	-63.7	0	0	0	0	109.3
664	P	33.7	Very low	28.3	Very low	129 Å²	129	141 Å²	141	84%	0.838	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-85.5	136.5	-155.7	-3.4	22.8	0	0	0	113	E666	P664-E666 PolarHBondContact O-N 2.99Å
665	L	29.5	Very low	28.7	Very low	170 Å²	170	142.1 Å²	142.1	89%	0.89	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-56.3	116.6	173.8	-83.7	108.8	0	0	0	112.6
666	E	28.4	Very low	29.1	Very low	188 Å²	188	144.5 Å²	144.5	88%	0.879	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-63.1	130.9	157	-79.4	-175.4	144.7	0	0	110.1	P664	P664-E666 PolarHBondContact O-N 2.99Å
667	K	28.5	Very low	29.2	Very low	198 Å²	198	149.2 Å²	149.2	86%	0.861	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-68.2	128.5	-179.1	-69.1	177.1	177.8	176	0	110.3	G669	K667-G669 PolarHBondContact O-N 3.43Å
668	P	31.8	Very low	29.5	Very low	128 Å²	128	150.5 Å²	150.5	83%	0.831	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-73.1	124	178.4	28.3	-30.9	0	0	0	110.3
669	G	28.7	Very low	29.4	Very low	79 Å²	79	152.1 Å²	152.1	81%	0.814	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-69.8	138.4	-178.2	0	0	0	0	0	114.1	K667	K667-G669 PolarHBondContact O-N 3.43Å
670	G	30.2	Very low	29.4	Very low	70 Å²	70	150.7 Å²	150.7	72%	0.722	83%	0.834	S	S	*	*			trans	63.4	92.5	137.1	0	0	0	0	0	118.2	K672	G670-K672 PolarHBondContact O-N 3.13Å
671	K	27.6	Very low	29.5	Very low	208 Å²	208	154.1 Å²	154.1	90%	0.904	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-52.3	117.1	163.4	-67.8	177.5	176.6	178.1	0	110.5
672	K	29.6	Very low	29.6	Very low	207 Å²	207	152.7 Å²	152.7	90%	0.9	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-73.9	132.5	166.7	-74.6	-176.9	176.4	179.3	0	109.5	G670	G670-K672 PolarHBondContact O-N 3.13Å
673	H	30.4	Very low	29.8	Very low	190 Å²	190	151.2 Å²	151.2	88%	0.88	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-62.6	135.2	-177.8	-67.8	143.1	0	0	0	112.7
674	S	28.5	Very low	29.8	Very low	111 Å²	111	151.1 Å²	151.1	78%	0.776	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-65.2	141.4	168.1	-71.8	0	0	0	0	110.6
675	P	35.3	Very low	29.5	Very low	124 Å²	124	153.8 Å²	153.8	81%	0.805	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-73.5	141.5	-176.2	30.3	-32.7	0	0	0	111.5
676	D	31.8	Very low	29.6	Very low	156 Å²	156	152.9 Å²	152.9	83%	0.834	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-57.4	137.7	-175.7	-82.8	-46.9	0	0	0	113.5	T678	D676-T678 PolarHBondContact O-N 3.44Å
677	K	28.5	Very low	29.7	Very low	210 Å²	210	149.5 Å²	149.5	91%	0.913	82%	0.82	S	S	*	*			trans	-61.8	90.6	174	-73.6	176.6	174.3	178.3	0	110.6	K679	K677-K679 PolarHBondContact O-N 3.07Å
678	T	31.1	Very low	30.4	Very low	128 Å²	128	145.5 Å²	145.5	79%	0.785	81%	0.812	S	S	*	*			trans	-70.3	116.4	163.3	44	0	0	0	0	109.6	D676 T680	D676-T678 PolarHBondContact O-N 3.44Å; T678-T680 PolarHBondContact O-N 3.11Å; T678-T680 VanDerWaalsContact O-N 3.09Å
679	K	27.6	Very low	31.2	Very low	208 Å²	208	147.1 Å²	147.1	90%	0.904	81%	0.806	S	S	*	*			trans	-45	106.9	176.4	-68.8	173.6	176.6	177	0	112	K677 K681	K677-K679 PolarHBondContact O-N 3.07Å; K679-K681 PolarHBondContact O-N 2.91Å
680	T	28.2	Very low	32.4	Very low	130 Å²	130	151.6 Å²	151.6	80%	0.798	81%	0.806	S	S	*	*			trans	-76.3	117.7	170.3	14.5	0	0	0	0	110	T678	T678-T680 PolarHBondContact O-N 3.11Å; T678-T680 VanDerWaalsContact O-N 3.09Å
681	K	27.2	Very low	33.9	Very low	184 Å²	184	149.1 Å²	149.1	80%	0.8	78%	0.776	S	S	*	*			trans	-60.1	149	164	-89.7	176.8	172.6	178.6	0	109.8	K679 T683	K679-K681 PolarHBondContact O-N 2.91Å; K681-T683 PolarHBondContact O-N 2.99Å
682	P	30.5	Very low	35.8	Very low	131 Å²	131	141.9 Å²	141.9	85%	0.851	75%	0.75	S	S	*	*			trans	-68.1	110.5	-168.5	29.1	-32.5	0	0	0	109.1	S684	P682-S684 PolarHBondContact O-N 2.91Å
683	T	28.4	Very low	37.8	Very low	126 Å²	126	139.5 Å²	139.5	77%	0.773	74%	0.742	S	S	*	*			trans	-84	114.1	175.2	3.5	0	0	0	0	106.8	K681	K681-T683 PolarHBondContact O-N 2.99Å
684	S	29.4	Very low	40.1	Very low	99 Å²	99	134.1 Å²	134.1	69%	0.692	71%	0.714	S	S	*	*			trans	-32	129.9	170.1	47.2	0	0	0	0	113.1	P682 L686	P682-S684 PolarHBondContact O-N 2.91Å; S684-L686 PolarHBondContact O-N 3.42Å
685	E	28.7	Very low	42.6	Very low	185 Å²	185	129 Å²	129	86%	0.864	68%	0.678	S	S	*	*			trans	-44.4	96	175.5	-66.3	174	168.3	0	0	111.7	T687	E685-T687 VanDerWaalsContact C-N 3.34Å; E685-T687 PolarHBondContact O-N 2.94Å
686	L	30.4	Very low	44.8	Very low	150 Å²	150	124.9 Å²	124.9	79%	0.785	65%	0.651	S	S	*	*			trans	-75.3	94.1	169.7	-134.7	90.3	0	0	0	106.4	S684 T688	S684-L686 PolarHBondContact O-N 3.42Å; L686-T688 VanDerWaalsContact C-N 3.3Å; L686-T688 PolarHBondContact O-N 3.44Å
687	T	31.4	Very low	47.2	Very low	118 Å²	118	117.9 Å²	117.9	72%	0.724	61%	0.614	S	S	*	*			trans	-62	92	170.3	38.4	0	0	0	0	108.8	E685 K689	E685-T687 VanDerWaalsContact C-N 3.34Å; E685-T687 PolarHBondContact O-N 2.94Å; T687-K689 VanDerWaalsContact C-N 3.34Å; T687-K689 PolarHBondContact O-N 2.82Å
688	T	42.1	Very low	49.9	Very low	114 Å²	114	107.9 Å²	107.9	70%	0.699	57%	0.571	S	S	*	*			trans	-66.1	93.1	173.2	43	0	0	0	0	108.6	L686 Q690	L686-T688 VanDerWaalsContact C-N 3.3Å; L686-T688 PolarHBondContact O-N 3.44Å; T688-Q690 PolarHBondContact O-N 3.32Å; T688-Q690 VanDerWaalsContact O-N 3.07Å
689	K	48.9	Very low	52.3	Low	161 Å²	161	102.6 Å²	102.6	70%	0.7	54%	0.536	S	S	*	.			trans	-58.8	110.7	170.7	-69.7	-174.6	177.2	-175.6	0	108.5	T687	T687-K689 VanDerWaalsContact C-N 3.34Å; T687-K689 PolarHBondContact O-N 2.82Å
690	Q	55.2	Low	55	Low	173 Å²	173	94 Å²	94	81%	0.808	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-80.6	131.5	171.6	-71.6	-178.2	-12.3	0	0	109.1	T688 P692	T688-Q690 PolarHBondContact O-N 3.32Å; T688-Q690 VanDerWaalsContact O-N 3.07Å; Q690-P692 WeakPolarHBondContact O-CD 3.4Å
691	L	61	Low	57.7	Low	19 Å²	19	87.9 Å²	87.9	10%	0.099	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-73.8	125.2	173.4	-175.4	74.4	0	0	0	109.1	H693 F695 Y745 V746 F749	L691-H693 PolarHBondContact O-N 3.23Å; L691-F695 HydrophobicContact CD1-CB 4.27Å; L691-F695 HydrophobicContact CD1-CD2 4.28Å; L691-F695 HydrophobicContact CG-CB 4.36Å; L691-Y745 HydrophobicContact CD1-CD1 3.88Å; L691-Y745 HydrophobicContact CD1-CE1 3.41Å; L691-Y745 VanDerWaalsContact CD1-CE1 3.41Å; L691-V746 HydrophobicContact CD1-CG2 4.29Å; L691-V746 HydrophobicContact CD2-CG1 4.2Å; L691-V746 HydrophobicContact CD2-CG2 4.15Å; L691-F749 HydrophobicContact CB-CD1 4.09Å; L691-F749 HydrophobicContact CB-CD2 4.47Å; L691-F749 HydrophobicContact CB-CE1 3.99Å; L691-F749 HydrophobicContact CB-CE2 4.38Å; L691-F749 HydrophobicContact CB-CG 4.33Å; L691-F749 HydrophobicContact CB-CZ 4.14Å; L691-F749 HydrophobicContact CD2-CD1 4.13Å; L691-F749 HydrophobicContact CD2-CG 4.49Å
692	P	68.5	Low	60.4	Low	55 Å²	55	79.1 Å²	79.1	36%	0.357	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-55.9	131.5	173	-27.6	34.1	0	0	0	112.1	Q690 Y694 F695	Q690-P692 WeakPolarHBondContact O-CD 3.4Å; P692-Y694 VanDerWaalsContact C-N 3.25Å; P692-Y694 HydrophobicContact CB-CD1 3.68Å; P692-Y694 HydrophobicContact CB-CE1 3.36Å; P692-Y694 HydrophobicContact CG-CE1 4.26Å; P692-Y694 PolarHBondContact O-N 3.32Å; P692-Y694 VanDerWaalsContact O-N 3.17Å; P692-F695 HydrophobicContact CB-CD2 3.69Å; P692-F695 HydrophobicContact CB-CE2 3.99Å; P692-F695 HydrophobicContact CG-CD2 3.76Å; P692-F695 HydrophobicContact CG-CE2 3.74Å; P692-F695 PolarHBondContact O-N 3.39Å
693	H	70	Confident	62.5	Low	157 Å²	157	73.6 Å²	73.6	73%	0.727	39%	0.388	S	S	*	.	H	α-helix	trans	-54.3	-39.5	-173.6	-72.5	-71.3	0	0	0	113.3	L691 F695 T696	L691-H693 PolarHBondContact O-N 3.23Å; H693-F695 VanDerWaalsContact C-N 3.25Å; H693-F695 PolarHBondContact O-N 2.98Å; H693-T696 WeakPolarHBondContact O-CB 3.46Å; H693-T696 PolarHBondContact O-N 2.98Å
694	Y	78.8	Confident	64.4	Low	77 Å²	77	69.1 Å²	69.1	30%	0.302	37%	0.367	S	S	.	.	H	α-helix	trans	-62.6	-27.3	-179.1	73	-93.3	0	0	0	113.6	P692 T696 S697 I698	P692-Y694 VanDerWaalsContact C-N 3.25Å; P692-Y694 HydrophobicContact CB-CD1 3.68Å; P692-Y694 HydrophobicContact CB-CE1 3.36Å; P692-Y694 HydrophobicContact CG-CE1 4.26Å; P692-Y694 PolarHBondContact O-N 3.32Å; P692-Y694 VanDerWaalsContact O-N 3.17Å; Y694-T696 VanDerWaalsContact C-N 3.28Å; Y694-T696 PolarHBondContact O-N 3.34Å; Y694-S697 WeakPolarHBondContact O-CB 3.44Å; Y694-S697 PolarHBondContact O-N 3.24Å; Y694-I698 HydrophobicContact CD2-CD1 3.65Å; Y694-I698 HydrophobicContact CE2-CD1 4.04Å; Y694-I698 WeakPolarHBondContact O-CG1 3.32Å; Y694-I698 PolarHBondContact O-N 3.12Å
695	F	81.3	Confident	66.3	Low	4 Å²	4	65.4 Å²	65.4	2%	0.018	34%	0.339	C	S	.	.	H	α-helix	trans	-66.7	-30.9	175.3	-74.9	-53.6	0	0	0	112.8	L446 L452 L691 P692 H693 S697 I698 Y699 L742 V746	L446-F695 HydrophobicContact CD2-CE1 4.08Å; L452-F695 HydrophobicContact CD1-CE1 3.77Å; L452-F695 HydrophobicContact CD1-CZ 3.51Å; L452-F695 HydrophobicContact CD2-CE1 4.4Å; L452-F695 HydrophobicContact CD2-CE2 3.79Å; L452-F695 HydrophobicContact CD2-CZ 3.59Å; L452-F695 HydrophobicContact CG-CE1 4.47Å; L452-F695 HydrophobicContact CG-CE2 4.38Å; L452-F695 HydrophobicContact CG-CZ 3.73Å; L691-F695 HydrophobicContact CD1-CB 4.27Å; L691-F695 HydrophobicContact CD1-CD2 4.28Å; L691-F695 HydrophobicContact CG-CB 4.36Å; P692-F695 HydrophobicContact CB-CD2 3.69Å; P692-F695 HydrophobicContact CB-CE2 3.99Å; P692-F695 HydrophobicContact CG-CD2 3.76Å; P692-F695 HydrophobicContact CG-CE2 3.74Å; P692-F695 PolarHBondContact O-N 3.39Å; H693-F695 VanDerWaalsContact C-N 3.25Å; H693-F695 PolarHBondContact O-N 2.98Å; F695-S697 VanDerWaalsContact C-N 3.33Å; F695-I698 HydrophobicContact CD1-CD1 4.06Å; F695-I698 HydrophobicContact CE1-CD1 4.49Å; F695-I698 PolarHBondContact O-N 3.27Å; F695-Y699 VanDerWaalsContact O-CB 3.28Å; F695-Y699 WeakPolarHBondContact O-CB 3.5Å; F695-Y699 PolarHBondContact O-N 3.04Å; F695-L742 HydrophobicContact CB-CD1 4.35Å; F695-L742 HydrophobicContact CD1-CD1 3.41Å; F695-L742 VanDerWaalsContact CD1-CD1 3.41Å; F695-L742 HydrophobicContact CD1-CD2 3.93Å; F695-L742 HydrophobicContact CD1-CG 4.3Å; F695-L742 HydrophobicContact CE1-CD1 3.81Å; F695-L742 HydrophobicContact CE1-CD2 4.34Å; F695-L742 HydrophobicContact CG-CD1 3.93Å; F695-V746 HydrophobicContact CB-CG2 4.32Å
696	T	81.2	Confident	68.1	Low	37 Å²	37	57 Å²	57	23%	0.227	30%	0.3	C	S	.	.	H	α-helix	trans	-67.5	-40.3	174.6	-54	0	0	0	0	110.1	H693 Y694 Y699 K700	H693-T696 WeakPolarHBondContact O-CB 3.46Å; H693-T696 PolarHBondContact O-N 2.98Å; Y694-T696 VanDerWaalsContact C-N 3.28Å; Y694-T696 PolarHBondContact O-N 3.34Å; T696-Y699 PolarHBondContact O-N 2.83Å; T696-K700 HydrophobicContact CG2-CD 4.46Å; T696-K700 WeakPolarHBondContact O-CG 3.43Å; T696-K700 PolarHBondContact O-N 3.47Å; T696-K700 VanDerWaalsContact O-N 3.09Å
697	S	83.9	Confident	69.6	Low	10 Å²	10	54.2 Å²	54.2	7%	0.07	29%	0.286	C	S	.	.	H	α-helix	trans	-65.4	-43	175.4	-55.3	0	0	0	0	111.9	Y694 F695 K700 A701	Y694-S697 WeakPolarHBondContact O-CB 3.44Å; Y694-S697 PolarHBondContact O-N 3.24Å; F695-S697 VanDerWaalsContact C-N 3.33Å; S697-K700 PolarHBondContact O-N 2.89Å; S697-A701 PolarHBondContact O-N 3.3Å; S697-A701 VanDerWaalsContact O-N 3.12Å
698	I	83.2	Confident	71	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.2	-52.6	173.1	-68.3	169	0	0	0	109.9	W424 F426 L433 L442 Y694 F695 K700 A701 L702 L742	W424-I698 HydrophobicContact CE3-CG1 4.35Å; W424-I698 HydrophobicContact CH2-CG1 4.43Å; W424-I698 HydrophobicContact CZ3-CG1 3.88Å; F426-I698 HydrophobicContact CD1-CD1 4.12Å; F426-I698 HydrophobicContact CE1-CD1 3.52Å; F426-I698 HydrophobicContact CE1-CG1 3.71Å; F426-I698 HydrophobicContact CE2-CD1 4.28Å; F426-I698 HydrophobicContact CZ-CD1 3.64Å; F426-I698 HydrophobicContact CZ-CG1 3.99Å; L433-I698 HydrophobicContact CD1-CG1 4.34Å; L433-I698 HydrophobicContact CD1-CG2 4.21Å; L442-I698 HydrophobicContact CD1-CD1 4.3Å; L442-I698 HydrophobicContact CD1-CG2 4.22Å; L442-I698 HydrophobicContact CD2-CG2 3.73Å; Y694-I698 HydrophobicContact CD2-CD1 3.65Å; Y694-I698 HydrophobicContact CE2-CD1 4.04Å; Y694-I698 WeakPolarHBondContact O-CG1 3.32Å; Y694-I698 PolarHBondContact O-N 3.12Å; F695-I698 HydrophobicContact CD1-CD1 4.06Å; F695-I698 HydrophobicContact CE1-CD1 4.49Å; F695-I698 PolarHBondContact O-N 3.27Å; I698-K700 VanDerWaalsContact C-N 3.26Å; I698-K700 PolarHBondContact O-N 2.67Å; I698-A701 WeakPolarHBondContact O-CA 3.44Å; I698-A701 WeakPolarHBondContact O-CB 3.34Å; I698-A701 PolarHBondContact O-N 2.79Å; I698-L702 HydrophobicContact CG2-CG 4.43Å; I698-L702 WeakPolarHBondContact O-CG 3.36Å; I698-L702 PolarHBondContact O-N 2.91Å; I698-L702 VanDerWaalsContact O-N 3.09Å; I698-L742 HydrophobicContact CG2-CD2 3.84Å
699	Y	82.9	Confident	72.1	Confident	16 Å²	16	47.5 Å²	47.5	6%	0.063	24%	0.239	C	C	.	.	H	α-helix	trans	-51.8	-45.7	-179.7	171.6	-100.7	0	0	0	112.1	F695 T696 A701 L702 N705 T743 V746 Q747 L750	F695-Y699 VanDerWaalsContact O-CB 3.28Å; F695-Y699 WeakPolarHBondContact O-CB 3.5Å; F695-Y699 PolarHBondContact O-N 3.04Å; T696-Y699 PolarHBondContact O-N 2.83Å; Y699-A701 VanDerWaalsContact C-N 3.32Å; Y699-A701 PolarHBondContact O-N 3.5Å; Y699-L702 PolarHBondContact O-N 3.08Å; Y699-N705 HydrophobicContact CD1-CB 4.49Å; Y699-N705 HydrophobicContact CE1-CB 4.08Å; Y699-N705 HydrophobicContact CE2-CB 4.24Å; Y699-N705 VanDerWaalsContact CE2-ND2 3.3Å; Y699-N705 WeakPolarHBondContact CE2-ND2 3.48Å; Y699-N705 WeakPolarHBondContact O-CB 3.46Å; Y699-N705 PolarHBondContact O-ND2 3.39Å; Y699-N705 PolarHBondContact OH-OD1 3.45Å; Y699-T743 HydrophobicContact CD2-CG2 4.02Å; Y699-T743 HydrophobicContact CE2-CG2 3.6Å; Y699-V746 HydrophobicContact CD1-CG1 4Å; Y699-V746 HydrophobicContact CD2-CB 4.06Å; Y699-V746 HydrophobicContact CD2-CG1 4.05Å; Y699-V746 HydrophobicContact CG-CB 4.14Å; Y699-V746 HydrophobicContact CG-CG1 3.66Å; Y699-Q747 HydrophobicContact CE2-CG 3.71Å; Y699-Q747 WeakPolarHBondContact OH-CG 3.44Å; Y699-Q747 PolarHBondContact OH-NE2 3.37Å; Y699-Q747 VanDerWaalsContact OH-NE2 3.1Å; Y699-L750 HydrophobicContact CD1-CD1 4.36Å; Y699-L750 HydrophobicContact CE1-CD1 4.11Å
700	K	83.6	Confident	72.8	Confident	28 Å²	28	45.9 Å²	45.9	12%	0.122	23%	0.232	C	C	.	.	H	α-helix	trans	-66.7	-28.9	176.7	-71.2	166.7	170.2	173.3	0	113.4	D400 R410 T696 S697 I698 D706	D400-K700 IonicContact OD2-NZ 2.66Å; D400-K700 PolarHBondContact OD2-NZ 2.84Å; R410-K700 PolarHBondContact NH1-O 3.26Å; T696-K700 HydrophobicContact CG2-CD 4.46Å; T696-K700 WeakPolarHBondContact O-CG 3.43Å; T696-K700 PolarHBondContact O-N 3.47Å; T696-K700 VanDerWaalsContact O-N 3.09Å; S697-K700 PolarHBondContact O-N 2.89Å; I698-K700 VanDerWaalsContact C-N 3.26Å; I698-K700 PolarHBondContact O-N 2.67Å; K700-D706 VanDerWaalsContact O-OD1 3.11Å
701	A	86	Confident	72.8	Confident	2 Å²	2	45.2 Å²	45.2	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-78.1	-23.9	178.3	0	0	0	0	0	113.3	W424 L433 S697 I698 Y699	W424-A701 HydrophobicContact CH2-CB 3.68Å; W424-A701 HydrophobicContact CZ2-CB 3.52Å; L433-A701 HydrophobicContact CB-CB 4.22Å; L433-A701 HydrophobicContact CD1-CB 4.15Å; S697-A701 PolarHBondContact O-N 3.3Å; S697-A701 VanDerWaalsContact O-N 3.12Å; I698-A701 WeakPolarHBondContact O-CA 3.44Å; I698-A701 WeakPolarHBondContact O-CB 3.34Å; I698-A701 PolarHBondContact O-N 2.79Å; Y699-A701 VanDerWaalsContact C-N 3.32Å; Y699-A701 PolarHBondContact O-N 3.5Å
702	L	83.4	Confident	72.6	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-64.4	149.8	178.2	-65.5	176.9	0	0	0	112.2	L439 L442 I698 Y699 G704 N705 L728 T743	L439-L702 HydrophobicContact CD2-CD2 3.53Å; L442-L702 HydrophobicContact CD2-CD2 3.79Å; I698-L702 HydrophobicContact CG2-CG 4.43Å; I698-L702 WeakPolarHBondContact O-CG 3.36Å; I698-L702 PolarHBondContact O-N 2.91Å; I698-L702 VanDerWaalsContact O-N 3.09Å; Y699-L702 PolarHBondContact O-N 3.08Å; L702-G704 PolarHBondContact O-N 3.19Å; L702-N705 PolarHBondContact O-N 2.89Å; L702-L728 HydrophobicContact CB-CD1 3.77Å; L702-L728 HydrophobicContact CD1-CD1 4.05Å; L702-L728 HydrophobicContact CD2-CD1 4.07Å; L702-L728 HydrophobicContact CG-CD1 4.16Å; L702-T743 WeakPolarHBondContact CD1-OG1 3.09Å
703	P	74.5	Confident	72.1	Confident	15 Å²	15	47.4 Å²	47.4	10%	0.097	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	131.5	179.3	-27.5	34	0	0	0	113.9	N705 L726 L728	P703-N705 VanDerWaalsContact C-N 3.33Å; P703-N705 PolarHBondContact O-N 2.94Å; P703-L726 WeakPolarHBondContact CB-O 3.37Å; P703-L726 VanDerWaalsContact CG-O 3.27Å; P703-L726 WeakPolarHBondContact CG-O 3.5Å; P703-L728 HydrophobicContact CG-CD1 4.48Å
704	G	68.8	Low	71.4	Confident	32 Å²	32	40.4 Å²	40.4	33%	0.33	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	-6.5	173.3	0	0	0	0	0	116.3	L702 K710	L702-G704 PolarHBondContact O-N 3.19Å; G704-K710 WeakPolarHBondContact O-CE 3.47Å; G704-K710 PolarHBondContact O-NZ 3.48Å; G704-K710 VanDerWaalsContact O-NZ 3.16Å
705	N	69	Low	70.1	Confident	20 Å²	20	45.5 Å²	45.5	11%	0.107	24%	0.242	C	C	.	.			trans	-97.4	3.4	-173.5	-68.8	-26.6	0	0	0	115.3	Y699 L702 P703 D707	Y699-N705 HydrophobicContact CD1-CB 4.49Å; Y699-N705 HydrophobicContact CE1-CB 4.08Å; Y699-N705 HydrophobicContact CE2-CB 4.24Å; Y699-N705 VanDerWaalsContact CE2-ND2 3.3Å; Y699-N705 WeakPolarHBondContact CE2-ND2 3.48Å; Y699-N705 WeakPolarHBondContact O-CB 3.46Å; Y699-N705 PolarHBondContact O-ND2 3.39Å; Y699-N705 PolarHBondContact OH-OD1 3.45Å; L702-N705 PolarHBondContact O-N 2.89Å; P703-N705 VanDerWaalsContact C-N 3.33Å; P703-N705 PolarHBondContact O-N 2.94Å; N705-D707 VanDerWaalsContact C-N 3.27Å; N705-D707 PolarHBondContact O-N 3.46Å; N705-D707 VanDerWaalsContact O-N 3.1Å
706	D	66.7	Low	68.7	Low	9 Å²	9	52.3 Å²	52.3	5%	0.048	27%	0.273	C	S	.	.			trans	-84.1	67.1	171.2	-77.4	-52.3	0	0	0	110.8	R407 R410 R414 K700 E708 L709	R407-D706 IonicContact NE-OD1 2.68Å; R407-D706 IonicContact NH2-OD1 3.98Å; R410-D706 IonicContact NH1-OD1 2.63Å; R410-D706 PolarHBondContact NH1-OD1 2.93Å; R410-D706 VanDerWaalsContact NH1-OD1 3.13Å; R410-D706 IonicContact NH1-OD2 3.8Å; R410-D706 PolarHBondContact NH1-OD2 3.44Å; R414-D706 IonicContact CZ-OD2 3.77Å; R414-D706 IonicContact NH1-OD2 3.85Å; R414-D706 PolarHBondContact NH1-OD2 3.17Å; R414-D706 IonicContact NH2-OD2 3.9Å; R414-D706 PolarHBondContact NH2-OD2 3.18Å; K700-D706 VanDerWaalsContact O-OD1 3.11Å; D706-E708 VanDerWaalsContact C-N 3.26Å; D706-E708 PolarHBondContact O-N 3.13Å; D706-L709 PolarHBondContact O-N 3.38Å
707	D	61.5	Low	67.3	Low	91 Å²	91	51.6 Å²	51.6	49%	0.487	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-57.5	-38.3	-178.6	-75.3	-29.6	0	0	0	113	N705 L709 K710	N705-D707 VanDerWaalsContact C-N 3.27Å; N705-D707 PolarHBondContact O-N 3.46Å; N705-D707 VanDerWaalsContact O-N 3.1Å; D707-L709 PolarHBondContact O-N 2.9Å; D707-L709 VanDerWaalsContact O-N 3.12Å; D707-K710 WeakPolarHBondContact O-CB 3.42Å; D707-K710 PolarHBondContact O-N 2.96Å; D707-K710 VanDerWaalsContact O-N 3.12Å; D707-K710 WeakPolarHBondContact OD1-CE 3.41Å; D707-K710 IonicContact OD1-NZ 2.71Å; D707-K710 PolarHBondContact OD1-NZ 3.05Å
708	E	61.7	Low	65.6	Low	85 Å²	85	56.4 Å²	56.4	40%	0.397	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-64.8	-18.2	-174.1	-65.9	166.5	-167.2	0	0	114.1	L396 R407 D706	L396-E708 HydrophobicContact CD2-CB 4.18Å; L396-E708 WeakPolarHBondContact CD2-OE2 3.35Å; R407-E708 IonicContact CZ-OE2 2.87Å; R407-E708 IonicContact NH1-OE1 3.71Å; R407-E708 IonicContact NH1-OE2 2.83Å; R407-E708 PolarHBondContact NH1-OE2 3.4Å; R407-E708 VanDerWaalsContact NH2-CD 3.33Å; R407-E708 IonicContact NH2-OE1 3.34Å; R407-E708 IonicContact NH2-OE2 3.48Å; R407-E708 PolarHBondContact NH2-OE2 2.97Å; D706-E708 VanDerWaalsContact C-N 3.26Å; D706-E708 PolarHBondContact O-N 3.13Å
709	L	65.2	Low	64	Low	7 Å²	7	61.4 Å²	61.4	4%	0.037	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-111.2	2	178.9	-72.2	174.6	0	0	0	113.3	F393 L396 Y411 D706 D707 D711 F712	F393-L709 HydrophobicContact CD2-CD2 4.1Å; L396-L709 HydrophobicContact CD1-CD1 3.69Å; L396-L709 HydrophobicContact CD1-CD2 3.9Å; L396-L709 HydrophobicContact CD1-CG 3.94Å; Y411-L709 VanDerWaalsContact CB-CD1 3.48Å; Y411-L709 HydrophobicContact CD2-CB 3.82Å; Y411-L709 HydrophobicContact CD2-CD1 3.71Å; Y411-L709 HydrophobicContact CD2-CG 4.27Å; Y411-L709 HydrophobicContact CE2-CB 4.18Å; Y411-L709 HydrophobicContact CG-CD1 3.69Å; D706-L709 PolarHBondContact O-N 3.38Å; D707-L709 PolarHBondContact O-N 2.9Å; D707-L709 VanDerWaalsContact O-N 3.12Å; L709-D711 PolarHBondContact O-N 3.19Å; L709-F712 HydrophobicContact CD2-CB 3.75Å; L709-F712 HydrophobicContact CD2-CD1 4.08Å; L709-F712 HydrophobicContact CD2-CG 3.98Å; L709-F712 PolarHBondContact O-N 3.05Å
710	K	62.7	Low	62.2	Low	127 Å²	127	66.2 Å²	66.2	55%	0.552	35%	0.348	S	S	*	.	S	Bend	trans	-60	-35.7	177.8	-75.2	-178.9	178.4	170.4	0	112.4	G704 D707	G704-K710 WeakPolarHBondContact O-CE 3.47Å; G704-K710 PolarHBondContact O-NZ 3.48Å; G704-K710 VanDerWaalsContact O-NZ 3.16Å; D707-K710 WeakPolarHBondContact O-CB 3.42Å; D707-K710 PolarHBondContact O-N 2.96Å; D707-K710 VanDerWaalsContact O-N 3.12Å; D707-K710 WeakPolarHBondContact OD1-CE 3.41Å; D707-K710 IonicContact OD1-NZ 2.71Å; D707-K710 PolarHBondContact OD1-NZ 3.05Å
711	D	55.9	Low	60.2	Low	159 Å²	159	76.8 Å²	76.8	85%	0.85	39%	0.387	S	S	*	.	S	Bend	trans	-91.5	-10.9	179.7	-62.9	-31	0	0	0	113.1	L709 N713	L709-D711 PolarHBondContact O-N 3.19Å; D711-N713 PolarHBondContact O-N 3.25Å
712	F	56.3	Low	57.8	Low	13 Å²	13	80.4 Å²	80.4	6%	0.057	41%	0.409	C	S	.	.			trans	-79.1	93.6	174.1	-175	-96.3	0	0	0	108	Y382 D389 F393 Y411 L709 P714	Y382-F712 HydrophobicContact CD1-CZ 4.38Å; Y382-F712 HydrophobicContact CD2-CE1 4.41Å; Y382-F712 HydrophobicContact CD2-CZ 4.19Å; Y382-F712 HydrophobicContact CE2-CE1 4.44Å; Y382-F712 HydrophobicContact CE2-CZ 4.44Å; Y382-F712 HydrophobicContact CG-CZ 4.16Å; D389-F712 HydrophobicContact CB-CD2 3.91Å; D389-F712 HydrophobicContact CB-CE2 3.42Å; D389-F712 VanDerWaalsContact CB-CE2 3.42Å; D389-F712 HydrophobicContact CB-CZ 4.49Å; F393-F712 HydrophobicContact CB-CD2 4.42Å; F393-F712 HydrophobicContact CB-CE2 3.78Å; F393-F712 HydrophobicContact CB-CZ 3.92Å; F393-F712 HydrophobicContact CD2-CD1 4.1Å; F393-F712 AromaticContact CD2-CE1 3.63Å; F393-F712 HydrophobicContact CD2-CE1 3.63Å; F393-F712 HydrophobicContact CD2-CE2 4.27Å; F393-F712 AromaticContact CD2-CZ 3.73Å; F393-F712 HydrophobicContact CD2-CZ 3.73Å; F393-F712 HydrophobicContact CE2-CE1 4.14Å; F393-F712 HydrophobicContact CG-CE1 4.39Å; F393-F712 HydrophobicContact CG-CE2 4.37Å; F393-F712 HydrophobicContact CG-CZ 4.03Å; Y411-F712 HydrophobicContact CD1-CD1 4.41Å; Y411-F712 HydrophobicContact CD1-CE1 4.44Å; Y411-F712 AromaticContact CE1-CD1 3.6Å; Y411-F712 HydrophobicContact CE1-CD1 3.6Å; Y411-F712 AromaticContact CE1-CE1 3.64Å; Y411-F712 HydrophobicContact CE1-CE1 3.64Å; Y411-F712 HydrophobicContact CE2-CD1 4.15Å; Y411-F712 AromaticContact CZ-CD1 3.46Å; Y411-F712 VanDerWaalsContact CZ-CD1 3.46Å; Y411-F712 AromaticContact CZ-CE1 3.95Å; Y411-F712 WeakPolarHBondContact OH-CD1 3.07Å; Y411-F712 PolarHBondContact OH-O 2.85Å; L709-F712 HydrophobicContact CD2-CB 3.75Å; L709-F712 HydrophobicContact CD2-CD1 4.08Å; L709-F712 HydrophobicContact CD2-CG 3.98Å; L709-F712 PolarHBondContact O-N 3.05Å; F712-P714 HydrophobicContact CE1-CG 4.1Å
713	N	57.3	Low	55.5	Low	107 Å²	107	86 Å²	86	57%	0.572	44%	0.444	S	S	*	.			trans	-122.4	91.7	172.1	-169.7	18.5	0	0	0	108.6	D711 L715	D711-N713 PolarHBondContact O-N 3.25Å; N713-L715 PolarHBondContact O-N 2.82Å; N713-L715 VanDerWaalsContact O-N 3.16Å
714	P	55.1	Low	54	Low	10 Å²	10	90.5 Å²	90.5	7%	0.065	47%	0.473	C	S	.	.			trans	-60.1	124.2	175.5	23.7	-29.1	0	0	0	107.9	Y382 Y411 F712 E716 L717	Y382-P714 HydrophobicContact CE1-CB 4.23Å; Y382-P714 HydrophobicContact CE2-CG 4.39Å; Y382-P714 WeakPolarHBondContact OH-CB 3.39Å; Y382-P714 VanDerWaalsContact OH-CG 3.32Å; Y382-P714 WeakPolarHBondContact OH-CG 3.41Å; Y411-P714 VanDerWaalsContact OH-CD 3.26Å; Y411-P714 WeakPolarHBondContact OH-CD 3.29Å; F712-P714 HydrophobicContact CE1-CG 4.1Å; P714-E716 PolarHBondContact O-N 3.43Å; P714-L717 HydrophobicContact CG-CD1 4.1Å; P714-L717 PolarHBondContact O-N 2.94Å
715	L	52.2	Low	53	Low	183 Å²	183	93 Å²	93	96%	0.958	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-11.6	-173.8	-83.5	149.3	0	0	0	115.4	N713	N713-L715 PolarHBondContact O-N 2.82Å; N713-L715 VanDerWaalsContact O-N 3.16Å
716	E	52.7	Low	52.2	Low	147 Å²	147	94.5 Å²	94.5	69%	0.687	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	0.6	-171.9	-63.3	-173.5	165.4	0	0	115.2	P714	P714-E716 PolarHBondContact O-N 3.43Å
717	L	51.2	Low	51.8	Low	23 Å²	23	97.9 Å²	97.9	12%	0.12	51%	0.511	C	S	.	.			trans	-125.9	98.2	-174.8	-84.5	153.1	0	0	0	112	K378 Y382 V415 P714 L719	K378-L717 HydrophobicContact CD-CD1 3.6Å; K378-L717 HydrophobicContact CD-CG 4.39Å; Y382-L717 WeakPolarHBondContact OH-CD1 3.43Å; V415-L717 HydrophobicContact CG1-CB 3.92Å; V415-L717 HydrophobicContact CG1-CD1 3.63Å; V415-L717 HydrophobicContact CG1-CD2 3.67Å; V415-L717 HydrophobicContact CG1-CG 3.92Å; P714-L717 HydrophobicContact CG-CD1 4.1Å; P714-L717 PolarHBondContact O-N 2.94Å; L717-L719 PolarHBondContact O-N 3.19Å; L717-L719 VanDerWaalsContact O-N 3.17Å
718	P	48.8	Very low	51.6	Low	110 Å²	110	94 Å²	94	71%	0.714	49%	0.49	S	S	*	.			trans	-63	119.3	160.6	25.6	-28.8	0	0	0	107.6	Q720	P718-Q720 PolarHBondContact O-N 3.23Å
719	L	48.2	Very low	51.2	Low	106 Å²	106	94.7 Å²	94.7	56%	0.555	51%	0.505	S	S	*	.			trans	-45.2	108.3	168.4	-78.6	152.7	0	0	0	108.1	V415 L717 R721	V415-L719 HydrophobicContact CG2-CD2 4.47Å; L717-L719 PolarHBondContact O-N 3.19Å; L717-L719 VanDerWaalsContact O-N 3.17Å; L719-R721 PolarHBondContact O-N 3.22Å
720	Q	45.8	Very low	50.7	Low	116 Å²	116	99.7 Å²	99.7	54%	0.542	53%	0.529	S	S	.	.			trans	-61.2	134.7	175.5	-73.5	-167.4	-0.1	0	0	107.5	P718 T722	P718-Q720 PolarHBondContact O-N 3.23Å; Q720-T722 PolarHBondContact O-N 2.78Å
721	R	41.5	Very low	50.1	Low	250 Å²	250	99.5 Å²	99.5	94%	0.943	54%	0.541	S	S	*	.	S	Bend	trans	-37.5	107.5	-170.7	-77.6	179.5	-177	173.5	1.5	110.9	L719	L719-R721 PolarHBondContact O-N 3.22Å
722	T	35.8	Very low	50.1	Low	78 Å²	78	99 Å²	99	48%	0.479	54%	0.538	S	S	.	.			trans	-55.9	137.4	-173.2	53.3	0	0	0	0	111	Q720	Q720-T722 PolarHBondContact O-N 2.78Å
723	T	35.8	Very low	50.5	Low	117 Å²	117	99.8 Å²	99.8	72%	0.718	54%	0.543	S	S	*	.	S	Bend	trans	-41.8	129	141.8	23.2	0	0	0	0	107.1	S725	T723-S725 PolarHBondContact O-N 3.15Å
724	P	41.8	Very low	50.8	Low	110 Å²	110	99.2 Å²	99.2	71%	0.714	55%	0.548	S	S	*	.			trans	-49.1	113	-174	19.4	-31.5	0	0	0	108.3	L726	P724-L726 PolarHBondContact O-N 2.93Å
725	S	48.5	Very low	51.9	Low	86 Å²	86	105.2 Å²	105.2	60%	0.601	57%	0.573	S	S	*	*			trans	-60.4	104.7	-175.4	41.2	0	0	0	0	106.9	T723 L727	T723-S725 PolarHBondContact O-N 3.15Å; S725-L727 PolarHBondContact O-N 2.82Å
726	L	51.9	Low	53.3	Low	51 Å²	51	96.8 Å²	96.8	27%	0.267	53%	0.528	S	S	.	.			trans	-74.6	81	-168.3	-139.5	145.3	0	0	0	107.3	E436 L439 P703 P724 L728	E436-L726 HydrophobicContact CB-CD1 4.4Å; L439-L726 HydrophobicContact CD1-CD2 4.04Å; P703-L726 WeakPolarHBondContact CB-O 3.37Å; P703-L726 VanDerWaalsContact CG-O 3.27Å; P703-L726 WeakPolarHBondContact CG-O 3.5Å; P724-L726 PolarHBondContact O-N 2.93Å; L726-L728 PolarHBondContact O-N 3.36Å; L726-L728 VanDerWaalsContact O-N 3.07Å
727	L	58.3	Low	54.7	Low	79 Å²	79	92.9 Å²	92.9	41%	0.414	52%	0.515	S	S	.	.			trans	-69	109.6	-179.5	-75.4	165.2	0	0	0	108.2	S725 S729 M730 N733	S725-L727 PolarHBondContact O-N 2.82Å; L727-S729 PolarHBondContact O-N 2.95Å; L727-S729 VanDerWaalsContact O-N 3.09Å; L727-M730 HydrophobicContact CB-CG 4.06Å; L727-M730 WeakPolarHBondContact O-CG 3.42Å; L727-M730 PolarHBondContact O-N 3.46Å; L727-N733 PolarHBondContact O-ND2 2.81Å
728	L	57.5	Low	56.1	Low	9 Å²	9	93.9 Å²	93.9	5%	0.047	52%	0.518	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-32.1	176.9	-85.1	156.3	0	0	0	112.2	L439 L702 P703 L726 M730 N733 F736 C739 I740	L439-L728 HydrophobicContact CD1-CD2 4.11Å; L439-L728 HydrophobicContact CD1-CG 4.48Å; L439-L728 HydrophobicContact CD2-CD1 4.25Å; L439-L728 HydrophobicContact CD2-CD2 4.1Å; L702-L728 HydrophobicContact CB-CD1 3.77Å; L702-L728 HydrophobicContact CD1-CD1 4.05Å; L702-L728 HydrophobicContact CD2-CD1 4.07Å; L702-L728 HydrophobicContact CG-CD1 4.16Å; P703-L728 HydrophobicContact CG-CD1 4.48Å; L726-L728 PolarHBondContact O-N 3.36Å; L726-L728 VanDerWaalsContact O-N 3.07Å; L728-M730 PolarHBondContact O-N 2.8Å; L728-M730 VanDerWaalsContact O-N 3.09Å; L728-N733 WeakPolarHBondContact CA-ND2 3.43Å; L728-N733 PolarHBondContact O-ND2 3.3Å; L728-F736 HydrophobicContact CD2-CB 4.13Å; L728-C739 HydrophobicContact CD2-CB 4.25Å; L728-I740 HydrophobicContact CD2-CG1 4.44Å
729	S	53.8	Low	57.6	Low	101 Å²	101	88.6 Å²	88.6	71%	0.706	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	1.1	-177.7	68.2	0	0	0	0	115.6	L727	L727-S729 PolarHBondContact O-N 2.95Å; L727-S729 VanDerWaalsContact O-N 3.09Å
730	M	53.2	Low	59.1	Low	111 Å²	111	85.8 Å²	85.8	55%	0.547	47%	0.469	S	S	.	.	S	Bend	trans	-78.2	134.9	178.7	-65	-65.2	-90.2	0	0	110.7	L727 L728 N732 N733	L727-M730 HydrophobicContact CB-CG 4.06Å; L727-M730 WeakPolarHBondContact O-CG 3.42Å; L727-M730 PolarHBondContact O-N 3.46Å; L728-M730 PolarHBondContact O-N 2.8Å; L728-M730 VanDerWaalsContact O-N 3.09Å; M730-N732 PolarHBondContact O-N 2.95Å; M730-N733 PolarHBondContact O-N 3.2Å; M730-N733 VanDerWaalsContact O-N 3.1Å
731	P	50.1	Low	60.7	Low	123 Å²	123	82.6 Å²	82.6	80%	0.799	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-21.3	-176	-23.9	30.8	0	0	0	115.1	N733	P731-N733 VanDerWaalsContact C-N 3.32Å; P731-N733 PolarHBondContact O-N 3.28Å
732	N	56.3	Low	62.6	Low	148 Å²	148	70.7 Å²	70.7	79%	0.791	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-1.9	-177.1	-69.7	-4.6	0	0	0	114	M730 S734	M730-N732 PolarHBondContact O-N 2.95Å; N732-S734 PolarHBondContact O-N 3.09Å; N732-S734 VanDerWaalsContact O-N 3.15Å
733	N	64.5	Low	64.6	Low	31 Å²	31	67.7 Å²	67.7	17%	0.166	39%	0.39	C	S	.	.			trans	-87.3	41	-179.2	-71.3	-23.4	0	0	0	113.2	L727 L728 M730 P731 K735 F736 I740	L727-N733 PolarHBondContact O-ND2 2.81Å; L728-N733 WeakPolarHBondContact CA-ND2 3.43Å; L728-N733 PolarHBondContact O-ND2 3.3Å; M730-N733 PolarHBondContact O-N 3.2Å; M730-N733 VanDerWaalsContact O-N 3.1Å; P731-N733 VanDerWaalsContact C-N 3.32Å; P731-N733 PolarHBondContact O-N 3.28Å; N733-K735 PolarHBondContact O-N 2.83Å; N733-F736 HydrophobicContact CB-CD2 4.31Å; N733-F736 PolarHBondContact O-N 3.36Å; N733-I740 HydrophobicContact CB-CD1 4.48Å
734	S	64.8	Low	66.7	Low	95 Å²	95	67.6 Å²	67.6	66%	0.664	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-57.8	-18.6	179.7	65.2	0	0	0	0	113.7	N732 F736 T737	N732-S734 PolarHBondContact O-N 3.09Å; N732-S734 VanDerWaalsContact O-N 3.15Å; S734-F736 VanDerWaalsContact C-N 3.31Å; S734-F736 PolarHBondContact O-N 3.28Å; S734-T737 PolarHBondContact O-OG1 3.15Å
735	K	77.5	Confident	68.4	Low	136 Å²	136	66 Å²	66	59%	0.591	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-68.8	-22.6	176.1	-61.8	-175.9	-174.9	176.6	0	114.1	E436 N733	E436-K735 IonicContact OE1-NZ 2.86Å; N733-K735 PolarHBondContact O-N 2.83Å
736	F	81	Confident	69.9	Low	5 Å²	5	61.9 Å²	61.9	2%	0.022	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-117.3	46.7	-171.1	-55	-58.3	0	0	0	112	E436 L439 L440 E443 L728 N733 S734 C739 I740	E436-F736 HydrophobicContact CG-CZ 3.89Å; L439-F736 HydrophobicContact CB-CD1 3.69Å; L439-F736 HydrophobicContact CB-CD2 4.49Å; L439-F736 HydrophobicContact CB-CE1 3.5Å; L439-F736 VanDerWaalsContact CB-CE1 3.5Å; L439-F736 HydrophobicContact CB-CE2 4.34Å; L439-F736 HydrophobicContact CB-CG 4.2Å; L439-F736 HydrophobicContact CB-CZ 3.86Å; L439-F736 HydrophobicContact CD1-CD2 4.22Å; L439-F736 HydrophobicContact CD1-CE2 4.14Å; L439-F736 HydrophobicContact CD1-CZ 4.41Å; L440-F736 HydrophobicContact CB-CE1 4.43Å; L440-F736 HydrophobicContact CD2-CE1 3.62Å; L440-F736 HydrophobicContact CD2-CZ 4.22Å; L440-F736 HydrophobicContact CG-CE1 3.73Å; L440-F736 HydrophobicContact CG-CZ 4.18Å; E443-F736 HydrophobicContact CB-CD1 4.39Å; E443-F736 WeakPolarHBondContact OE2-CA 3.12Å; L728-F736 HydrophobicContact CD2-CB 4.13Å; N733-F736 HydrophobicContact CB-CD2 4.31Å; N733-F736 PolarHBondContact O-N 3.36Å; S734-F736 VanDerWaalsContact C-N 3.31Å; S734-F736 PolarHBondContact O-N 3.28Å; F736-C739 HydrophobicContact CB-CB 4.12Å; F736-C739 PolarHBondContact O-N 3.41Å; F736-I740 VanDerWaalsContact O-CG1 3.32Å; F736-I740 WeakPolarHBondContact O-CG1 3.49Å; F736-I740 PolarHBondContact O-N 2.74Å
737	T	81.9	Confident	71.1	Confident	66 Å²	66	63 Å²	63	41%	0.405	34%	0.337	S	S	.	.	H	α-helix	trans	-66.4	-44.1	-170.3	-61.8	0	0	0	0	111.6	E443 S734 C739 I740 Q741	E443-T737 PolarHBondContact OE1-N 3Å; E443-T737 PolarHBondContact OE2-N 3.46Å; S734-T737 PolarHBondContact O-OG1 3.15Å; T737-C739 VanDerWaalsContact C-N 3.34Å; T737-I740 PolarHBondContact O-N 3.5Å; T737-Q741 WeakPolarHBondContact O-CB 3.31Å; T737-Q741 WeakPolarHBondContact O-CG 3.31Å; T737-Q741 PolarHBondContact O-N 3.44Å
738	K	81	Confident	72.1	Confident	43 Å²	43	60.9 Å²	60.9	19%	0.187	33%	0.329	C	S	.	.	H	α-helix	trans	-67	-35.7	177.8	-63.7	-65.5	-177.4	178.9	0	111.4	E443 L446 D455 Q741 L742	E443-K738 VanDerWaalsContact CD-N 3.33Å; E443-K738 WeakPolarHBondContact OE1-CB 3.45Å; E443-K738 WeakPolarHBondContact OE1-CG 3.38Å; E443-K738 PolarHBondContact OE1-N 3.2Å; E443-K738 WeakPolarHBondContact OE2-CB 3.3Å; E443-K738 PolarHBondContact OE2-N 3.29Å; E443-K738 VanDerWaalsContact OE2-N 3.09Å; L446-K738 HydrophobicContact CB-CB 3.79Å; L446-K738 HydrophobicContact CB-CG 4.47Å; L446-K738 HydrophobicContact CD1-CB 4.07Å; D455-K738 IonicContact OD1-NZ 3.48Å; D455-K738 PolarHBondContact OD1-NZ 3.41Å; K738-Q741 PolarHBondContact O-N 3.29Å; K738-L742 WeakPolarHBondContact O-CB 2.94Å; K738-L742 PolarHBondContact O-N 3.03Å
739	C	80.5	Confident	72.9	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-63.3	-42.3	173.4	-62.8	0	0	0	0	112.3	E443 L728 F736 T737 L742 T743	E443-C739 PolarHBondContact OE2-N 3.19Å; E443-C739 PolarHBondContact OE2-SG 3.27Å; L728-C739 HydrophobicContact CD2-CB 4.25Å; F736-C739 HydrophobicContact CB-CB 4.12Å; F736-C739 PolarHBondContact O-N 3.41Å; T737-C739 VanDerWaalsContact C-N 3.34Å; C739-L742 PolarHBondContact O-N 3.46Å; C739-T743 WeakPolarHBondContact O-CB 3.3Å; C739-T743 PolarHBondContact O-N 3.5Å; C739-T743 PolarHBondContact O-OG1 3.36Å
740	I	79.8	Confident	73.8	Confident	47 Å²	47	62.3 Å²	62.3	24%	0.241	33%	0.325	C	S	.	.	H	α-helix	trans	-63.4	-47.8	175	-66.8	164.5	0	0	0	109.9	L728 N733 F736 T737 L742 T743 E744	L728-I740 HydrophobicContact CD2-CG1 4.44Å; N733-I740 HydrophobicContact CB-CD1 4.48Å; F736-I740 VanDerWaalsContact O-CG1 3.32Å; F736-I740 WeakPolarHBondContact O-CG1 3.49Å; F736-I740 PolarHBondContact O-N 2.74Å; T737-I740 PolarHBondContact O-N 3.5Å; I740-L742 VanDerWaalsContact C-N 3.32Å; I740-L742 PolarHBondContact O-N 3.08Å; I740-T743 WeakPolarHBondContact O-CA 3.33Å; I740-T743 VanDerWaalsContact O-CB 3.31Å; I740-T743 WeakPolarHBondContact O-CB 3.4Å; I740-T743 PolarHBondContact O-N 3.23Å; I740-E744 HydrophobicContact CG2-CG 4.45Å; I740-E744 WeakPolarHBondContact O-CG 3.2Å; I740-E744 PolarHBondContact O-N 3.1Å
741	Q	79.8	Confident	74.7	Confident	49 Å²	49	62.7 Å²	62.7	23%	0.229	33%	0.329	C	S	.	.	H	α-helix	trans	-57.8	-42.4	176.9	-76.9	-179.7	-4.5	0	0	112.7	I454 T737 K738 T743 E744 Y745	I454-Q741 HydrophobicContact CG2-CB 3.74Å; I454-Q741 HydrophobicContact CG2-CG 4.34Å; T737-Q741 WeakPolarHBondContact O-CB 3.31Å; T737-Q741 WeakPolarHBondContact O-CG 3.31Å; T737-Q741 PolarHBondContact O-N 3.44Å; K738-Q741 PolarHBondContact O-N 3.29Å; Q741-T743 VanDerWaalsContact C-N 3.34Å; Q741-E744 PolarHBondContact O-N 3.07Å; Q741-Y745 VanDerWaalsContact O-CB 3.25Å; Q741-Y745 WeakPolarHBondContact O-CB 3.37Å; Q741-Y745 PolarHBondContact O-N 2.86Å
742	L	80.3	Confident	75.5	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.4	-44.7	174.3	177	67.5	0	0	0	111	L446 F695 I698 K738 C739 I740 E744 Y745 V746	L446-L742 HydrophobicContact CD1-CB 4.28Å; L446-L742 HydrophobicContact CD1-CD2 4.08Å; L446-L742 HydrophobicContact CD2-CD2 4.25Å; F695-L742 HydrophobicContact CB-CD1 4.35Å; F695-L742 HydrophobicContact CD1-CD1 3.41Å; F695-L742 VanDerWaalsContact CD1-CD1 3.41Å; F695-L742 HydrophobicContact CD1-CD2 3.93Å; F695-L742 HydrophobicContact CD1-CG 4.3Å; F695-L742 HydrophobicContact CE1-CD1 3.81Å; F695-L742 HydrophobicContact CE1-CD2 4.34Å; F695-L742 HydrophobicContact CG-CD1 3.93Å; I698-L742 HydrophobicContact CG2-CD2 3.84Å; K738-L742 WeakPolarHBondContact O-CB 2.94Å; K738-L742 PolarHBondContact O-N 3.03Å; C739-L742 PolarHBondContact O-N 3.46Å; I740-L742 VanDerWaalsContact C-N 3.32Å; I740-L742 PolarHBondContact O-N 3.08Å; L742-E744 PolarHBondContact O-N 3.5Å; L742-Y745 PolarHBondContact O-N 2.96Å; L742-V746 HydrophobicContact CD1-CG2 4.11Å; L742-V746 HydrophobicContact CG-CG2 4.45Å; L742-V746 WeakPolarHBondContact O-CG2 3.16Å; L742-V746 PolarHBondContact O-N 3.41Å
743	T	78.4	Confident	75.4	Confident	14 Å²	14	61.3 Å²	61.3	9%	0.086	32%	0.315	C	S	.	.	H	α-helix	trans	-59.2	-48.4	179	-56.9	0	0	0	0	110.8	Y699 L702 C739 I740 Q741 Y745 V746 Q747	Y699-T743 HydrophobicContact CD2-CG2 4.02Å; Y699-T743 HydrophobicContact CE2-CG2 3.6Å; L702-T743 WeakPolarHBondContact CD1-OG1 3.09Å; C739-T743 WeakPolarHBondContact O-CB 3.3Å; C739-T743 PolarHBondContact O-N 3.5Å; C739-T743 PolarHBondContact O-OG1 3.36Å; I740-T743 WeakPolarHBondContact O-CA 3.33Å; I740-T743 VanDerWaalsContact O-CB 3.31Å; I740-T743 WeakPolarHBondContact O-CB 3.4Å; I740-T743 PolarHBondContact O-N 3.23Å; Q741-T743 VanDerWaalsContact C-N 3.34Å; T743-Y745 PolarHBondContact O-N 3.4Å; T743-V746 PolarHBondContact O-N 3.41Å; T743-Q747 WeakPolarHBondContact O-CB 3.12Å; T743-Q747 VanDerWaalsContact O-CG 3.29Å; T743-Q747 WeakPolarHBondContact O-CG 3.44Å; T743-Q747 PolarHBondContact O-N 2.67Å
744	E	80.2	Confident	74.5	Confident	116 Å²	116	64.9 Å²	64.9	54%	0.542	34%	0.342	S	S	.	.	H	α-helix	trans	-62.8	-41.1	176.3	-69.6	178.1	173.4	0	0	112	I740 Q741 L742 Q747 S748	I740-E744 HydrophobicContact CG2-CG 4.45Å; I740-E744 WeakPolarHBondContact O-CG 3.2Å; I740-E744 PolarHBondContact O-N 3.1Å; Q741-E744 PolarHBondContact O-N 3.07Å; L742-E744 PolarHBondContact O-N 3.5Å; E744-Q747 PolarHBondContact O-N 3.13Å; E744-S748 WeakPolarHBondContact O-CB 3.27Å; E744-S748 PolarHBondContact O-N 3.49Å
745	Y	78.3	Confident	75	Confident	75 Å²	75	63.4 Å²	63.4	29%	0.294	33%	0.326	S	S	.	.	H	α-helix	trans	-62.9	-47.8	178.6	-179.5	-108.7	0	0	0	112	L691 Q741 L742 T743 S748 F749	L691-Y745 HydrophobicContact CD1-CD1 3.88Å; L691-Y745 HydrophobicContact CD1-CE1 3.41Å; L691-Y745 VanDerWaalsContact CD1-CE1 3.41Å; Q741-Y745 VanDerWaalsContact O-CB 3.25Å; Q741-Y745 WeakPolarHBondContact O-CB 3.37Å; Q741-Y745 PolarHBondContact O-N 2.86Å; L742-Y745 PolarHBondContact O-N 2.96Å; T743-Y745 PolarHBondContact O-N 3.4Å; Y745-S748 PolarHBondContact O-N 3.17Å; Y745-F749 PolarHBondContact O-N 2.73Å
746	V	79.4	Confident	74.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-66.1	-42.7	178	176.6	0	0	0	0	110.6	L691 F695 Y699 L742 T743 S748 F749 L750	L691-V746 HydrophobicContact CD1-CG2 4.29Å; L691-V746 HydrophobicContact CD2-CG1 4.2Å; L691-V746 HydrophobicContact CD2-CG2 4.15Å; F695-V746 HydrophobicContact CB-CG2 4.32Å; Y699-V746 HydrophobicContact CD1-CG1 4Å; Y699-V746 HydrophobicContact CD2-CB 4.06Å; Y699-V746 HydrophobicContact CD2-CG1 4.05Å; Y699-V746 HydrophobicContact CG-CB 4.14Å; Y699-V746 HydrophobicContact CG-CG1 3.66Å; L742-V746 HydrophobicContact CD1-CG2 4.11Å; L742-V746 HydrophobicContact CG-CG2 4.45Å; L742-V746 WeakPolarHBondContact O-CG2 3.16Å; L742-V746 PolarHBondContact O-N 3.41Å; T743-V746 PolarHBondContact O-N 3.41Å; V746-S748 VanDerWaalsContact C-N 3.34Å; V746-S748 PolarHBondContact O-N 3.47Å; V746-F749 WeakPolarHBondContact O-CB 3.13Å; V746-F749 PolarHBondContact O-N 3.38Å; V746-F749 VanDerWaalsContact O-N 3.16Å; V746-L750 HydrophobicContact CG1-CD1 3.94Å; V746-L750 HydrophobicContact CG1-CG 4.24Å; V746-L750 WeakPolarHBondContact O-CG 3.07Å; V746-L750 PolarHBondContact O-N 3.12Å
747	Q	77.8	Confident	74.5	Confident	74 Å²	74	62.6 Å²	62.6	35%	0.346	33%	0.328	S	S	.	.	H	α-helix	trans	-59.8	-42.7	174.8	-77.6	178.4	-14.3	0	0	112.4	Y699 T743 E744 F749 L750 N751	Y699-Q747 HydrophobicContact CE2-CG 3.71Å; Y699-Q747 WeakPolarHBondContact OH-CG 3.44Å; Y699-Q747 PolarHBondContact OH-NE2 3.37Å; Y699-Q747 VanDerWaalsContact OH-NE2 3.1Å; T743-Q747 WeakPolarHBondContact O-CB 3.12Å; T743-Q747 VanDerWaalsContact O-CG 3.29Å; T743-Q747 WeakPolarHBondContact O-CG 3.44Å; T743-Q747 PolarHBondContact O-N 2.67Å; E744-Q747 PolarHBondContact O-N 3.13Å; Q747-F749 VanDerWaalsContact C-N 3.3Å; Q747-F749 PolarHBondContact O-N 2.9Å; Q747-L750 PolarHBondContact O-N 3.38Å; Q747-N751 WeakPolarHBondContact O-CB 3.41Å; Q747-N751 PolarHBondContact O-N 3.03Å; Q747-N751 PolarHBondContact O-ND2 3.49Å
748	S	77.3	Confident	74.1	Confident	35 Å²	35	62.4 Å²	62.4	25%	0.245	32%	0.324	C	S	.	.	H	α-helix	trans	-61.1	-39.8	175.3	-172.8	0	0	0	0	111.7	E744 Y745 V746 K752	E744-S748 WeakPolarHBondContact O-CB 3.27Å; E744-S748 PolarHBondContact O-N 3.49Å; Y745-S748 PolarHBondContact O-N 3.17Å; V746-S748 VanDerWaalsContact C-N 3.34Å; V746-S748 PolarHBondContact O-N 3.47Å; S748-K752 VanDerWaalsContact O-CG 3.28Å; S748-K752 WeakPolarHBondContact O-CG 3.42Å; S748-K752 PolarHBondContact O-N 3.3Å; S748-K752 VanDerWaalsContact O-N 3.12Å
749	F	75.5	Confident	73.6	Confident	76 Å²	76	63.6 Å²	63.6	33%	0.333	33%	0.332	S	S	.	.	H	α-helix	trans	-67.8	-45.9	177	-167.6	-92.5	0	0	0	112	L691 Y745 V746 Q747 N751 K752 S753	L691-F749 HydrophobicContact CB-CD1 4.09Å; L691-F749 HydrophobicContact CB-CD2 4.47Å; L691-F749 HydrophobicContact CB-CE1 3.99Å; L691-F749 HydrophobicContact CB-CE2 4.38Å; L691-F749 HydrophobicContact CB-CG 4.33Å; L691-F749 HydrophobicContact CB-CZ 4.14Å; L691-F749 HydrophobicContact CD2-CD1 4.13Å; L691-F749 HydrophobicContact CD2-CG 4.49Å; Y745-F749 PolarHBondContact O-N 2.73Å; V746-F749 WeakPolarHBondContact O-CB 3.13Å; V746-F749 PolarHBondContact O-N 3.38Å; V746-F749 VanDerWaalsContact O-N 3.16Å; Q747-F749 VanDerWaalsContact C-N 3.3Å; Q747-F749 PolarHBondContact O-N 2.9Å; F749-N751 PolarHBondContact O-N 3.11Å; F749-K752 PolarHBondContact O-N 3.49Å; F749-S753 PolarHBondContact O-N 3.05Å; F749-S753 VanDerWaalsContact O-N 3.11Å
750	L	72.5	Confident	73.2	Confident	65 Å²	65	67.9 Å²	67.9	34%	0.34	35%	0.354	S	S	.	.	H	α-helix	trans	-61.4	-44.4	177.6	-69.5	173.8	0	0	0	111.4	Y699 V746 Q747 K752 S753 S754	Y699-L750 HydrophobicContact CD1-CD1 4.36Å; Y699-L750 HydrophobicContact CE1-CD1 4.11Å; V746-L750 HydrophobicContact CG1-CD1 3.94Å; V746-L750 HydrophobicContact CG1-CG 4.24Å; V746-L750 WeakPolarHBondContact O-CG 3.07Å; V746-L750 PolarHBondContact O-N 3.12Å; Q747-L750 PolarHBondContact O-N 3.38Å; L750-K752 VanDerWaalsContact C-N 3.3Å; L750-K752 PolarHBondContact O-N 3.19Å; L750-S753 PolarHBondContact O-N 2.95Å; L750-S753 VanDerWaalsContact O-N 3.1Å; L750-S753 PolarHBondContact O-OG 2.72Å; L750-S754 PolarHBondContact O-N 3.23Å; L750-S754 VanDerWaalsContact O-N 3.09Å; L750-S754 PolarHBondContact O-OG 2.89Å
751	N	71.7	Confident	72.7	Confident	118 Å²	118	69.4 Å²	69.4	63%	0.631	36%	0.362	S	S	*	.	H	α-helix	trans	-66.7	-26.3	177.3	-71.7	-20.7	0	0	0	113.7	Q747 F749 S754	Q747-N751 WeakPolarHBondContact O-CB 3.41Å; Q747-N751 PolarHBondContact O-N 3.03Å; Q747-N751 PolarHBondContact O-ND2 3.49Å; F749-N751 PolarHBondContact O-N 3.11Å; N751-S754 PolarHBondContact O-OG 2.99Å; N751-S754 VanDerWaalsContact O-OG 3.1Å
752	K	67.2	Low	72.2	Confident	157 Å²	157	70.9 Å²	70.9	68%	0.683	37%	0.373	S	S	*	.	H	α-helix	trans	-78.9	-23.4	173	-76	174.6	-175.5	178.1	0	112.8	S748 F749 L750	S748-K752 VanDerWaalsContact O-CG 3.28Å; S748-K752 WeakPolarHBondContact O-CG 3.42Å; S748-K752 PolarHBondContact O-N 3.3Å; S748-K752 VanDerWaalsContact O-N 3.12Å; F749-K752 PolarHBondContact O-N 3.49Å; L750-K752 VanDerWaalsContact C-N 3.3Å; L750-K752 PolarHBondContact O-N 3.19Å
753	S	54	Low	71.5	Confident	86 Å²	86	76.8 Å²	76.8	60%	0.601	40%	0.404	S	S	*	.	H	α-helix	trans	-87.4	-25	-179.5	71.3	0	0	0	0	113.6	F749 L750	F749-S753 PolarHBondContact O-N 3.05Å; F749-S753 VanDerWaalsContact O-N 3.11Å; L750-S753 PolarHBondContact O-N 2.95Å; L750-S753 VanDerWaalsContact O-N 3.1Å; L750-S753 PolarHBondContact O-OG 2.72Å
754	S	45.7	Very low	70.9	Confident	106 Å²	106	82.5 Å²	82.5	74%	0.741	43%	0.432	S	S	*	.			trans	-80.2	0	171.1	61.7	0	0	0	0	111.8	L750 N751	L750-S754 PolarHBondContact O-N 3.23Å; L750-S754 VanDerWaalsContact O-N 3.09Å; L750-S754 PolarHBondContact O-OG 2.89Å; N751-S754 PolarHBondContact O-OG 2.99Å; N751-S754 VanDerWaalsContact O-OG 3.1Å

Retrieved 754 of 754 residues in 218.9 ms (Link to these results)

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