A0A087XNI3_POEFO Loading...

E3 ubiquitin-protein ligase RNF114

AlphaFold DB , UniProt , Accession A0A087XNI3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 227 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.7	Very low	35.6	Very low	249 Å²	249	141.6 Å²	141.6	100%	1.227	86%	0.858	S	S	*	*				0	110.5	0	-82.7	158.1	177.5	0	0	107.3
2	A	37.1	Very low	35.5	Very low	86 Å²	86	140 Å²	140	71%	0.711	85%	0.852	S	S	*	*			trans	-66.3	147.1	171.7	0	0	0	0	0	109.8
3	M	39.7	Very low	35.5	Very low	187 Å²	187	144.8 Å²	144.8	92%	0.921	86%	0.855	S	S	*	*				-162	110.1	124.7	-78.3	-37.5	-169.7	0	0	108.7
4	L	38.4	Very low	35.7	Very low	180 Å²	180	149.4 Å²	149.4	94%	0.942	86%	0.858	S	S	*	*			trans	-79.6	134.2	164.8	-65.8	159.8	0	0	0	108
5	G	29.9	Very low	35.7	Very low	74 Å²	74	146.9 Å²	146.9	76%	0.763	85%	0.854	S	S	*	*			trans	-149.9	116.2	160.6	0	0	0	0	0	106.2
6	G	32.1	Very low	35.8	Very low	68 Å²	68	146.1 Å²	146.1	70%	0.701	85%	0.851	S	S	*	*			cis	113.9	64.2	37.5	0	0	0	0	0	106.5	S8	G6-S8 PolarHBondContact O-N 3.29Å
7	F	29.7	Very low	36.1	Very low	216 Å²	216	145.2 Å²	145.2	95%	0.947	85%	0.851	S	S	*	*			trans	-73.6	95.6	175.4	-73.5	-87.7	0	0	0	108.2	S9	F7-S9 PolarHBondContact O-N 3.06Å
8	S	36.7	Very low	36	Very low	118 Å²	118	145.1 Å²	145.1	83%	0.825	85%	0.846	S	S	*	*			trans	-66.9	118.2	174.5	-74.4	0	0	0	0	110.3	G6 A10	G6-S8 PolarHBondContact O-N 3.29Å; S8-A10 PolarHBondContact O-N 3.28Å
9	S	34.8	Very low	36.3	Very low	109 Å²	109	141.8 Å²	141.8	76%	0.762	85%	0.847	S	S	*	*			trans	-53.3	117.5	168.9	-166.4	0	0	0	0	110.5	F7 Q11	F7-S9 PolarHBondContact O-N 3.06Å; S9-Q11 PolarHBondContact O-N 3.3Å; S9-Q11 VanDerWaalsContact O-N 3.17Å
10	A	34.8	Very low	36.7	Very low	103 Å²	103	139.1 Å²	139.1	85%	0.851	84%	0.835	S	S	*	*			trans	-73.5	103.6	170.5	0	0	0	0	0	109.2	S8	S8-A10 PolarHBondContact O-N 3.28Å
11	Q	37.3	Very low	37.4	Very low	168 Å²	168	135.8 Å²	135.8	79%	0.785	82%	0.818	S	S	*	*			trans	-80.3	153	169.2	-83.7	-178.8	-37.5	0	0	111.3	S9 K13	S9-Q11 PolarHBondContact O-N 3.3Å; S9-Q11 VanDerWaalsContact O-N 3.17Å; Q11-K13 PolarHBondContact O-N 3.17Å
12	P	34.1	Very low	38.9	Very low	122 Å²	122	128.2 Å²	128.2	79%	0.792	78%	0.783	S	S	*	*			trans	-74	126.5	-173.7	31	-33.4	0	0	0	110.5	K14	P12-K14 PolarHBondContact O-N 3.49Å
13	K	35.6	Very low	40.9	Very low	203 Å²	203	126.4 Å²	126.4	88%	0.883	76%	0.763	S	S	*	*			trans	-76.5	110.1	172.6	-64	-175.1	-178.2	-179.9	0	108.6	Q11 S15	Q11-K13 PolarHBondContact O-N 3.17Å; K13-S15 PolarHBondContact O-N 3.33Å
14	K	38.6	Very low	43	Very low	208 Å²	208	121.1 Å²	121.1	90%	0.904	75%	0.745	S	S	*	*			trans	-70.1	109.1	161.3	-77.8	179.9	176	179.2	0	107.9	P12	P12-K14 PolarHBondContact O-N 3.49Å
15	S	35.3	Very low	45.4	Very low	113 Å²	113	117.8 Å²	117.8	79%	0.79	73%	0.727	S	S	*	*			trans	-89.3	125.3	170.1	44.9	0	0	0	0	110.4	K13	K13-S15 PolarHBondContact O-N 3.33Å
16	V	36.8	Very low	48.5	Very low	133 Å²	133	114.4 Å²	114.4	81%	0.806	69%	0.692	S	S	*	*			trans	-60.7	151.2	167.3	-114.9	0	0	0	0	110.3	D18	V16-D18 PolarHBondContact O-N 3.3Å
17	P	40.6	Very low	51.6	Low	131 Å²	131	113.1 Å²	113.1	85%	0.851	67%	0.67	S	S	*	*			trans	-82.6	108.4	-173.9	32.5	-27.6	0	0	0	109.8
18	D	34.3	Very low	54.8	Low	143 Å²	143	102.9 Å²	102.9	77%	0.765	63%	0.625	S	S	*	*			trans	-91.6	120.4	162.7	-167.6	41.6	0	0	0	107.8	V16 S20	V16-D18 PolarHBondContact O-N 3.3Å; D18-S20 PolarHBondContact O-N 2.89Å
19	G	43.1	Very low	57.7	Low	84 Å²	84	100.2 Å²	100.2	87%	0.866	61%	0.605	S	S	*	*	S	Bend	trans	-76.9	49.2	-169.6	0	0	0	0	0	114.4
20	S	43.3	Very low	60.6	Low	87 Å²	87	97.9 Å²	97.9	61%	0.608	59%	0.586	S	S	*	*			trans	-116.3	89.5	158.8	72.2	0	0	0	0	107.8	D18 D22	D18-S20 PolarHBondContact O-N 2.89Å; S20-D22 PolarHBondContact O-N 2.92Å
21	S	52.7	Low	63.5	Low	69 Å²	69	95.1 Å²	95.1	48%	0.483	56%	0.56	S	S	.	*			trans	-58.9	104.9	166.5	48.6	0	0	0	0	107.5
22	D	71.6	Confident	66.2	Low	91 Å²	91	93.3 Å²	93.3	49%	0.487	56%	0.555	S	S	.	*			trans	-64.8	138.3	179.1	-177.4	39.5	0	0	0	107.9	S20 S24 D25	S20-D22 PolarHBondContact O-N 2.92Å; D22-S24 PolarHBondContact O-N 2.91Å; D22-S24 WeakPolarHBondContact OD2-CB 3.13Å; D22-S24 PolarHBondContact OD2-OG 2.59Å; D22-D25 WeakPolarHBondContact O-CB 3.46Å; D22-D25 PolarHBondContact O-N 3.33Å
23	V	80.5	Confident	69.2	Low	47 Å²	47	91.5 Å²	91.5	29%	0.285	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-54.6	-27.4	-175.3	-177.4	0	0	0	0	111.3	D25 F26 I34 A88 L99	V23-D25 PolarHBondContact O-N 2.89Å; V23-F26 PolarHBondContact O-N 2.67Å; V23-I34 HydrophobicContact CG1-CD1 3.68Å; V23-A88 HydrophobicContact CG2-CB 3.42Å; V23-A88 VanDerWaalsContact CG2-CB 3.42Å; V23-L99 HydrophobicContact CG1-CD2 4.22Å
24	S	83.2	Confident	72.1	Confident	77 Å²	77	82.3 Å²	82.3	54%	0.538	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-55	-29.7	175.1	-50	0	0	0	0	114.4	D22 F26 V27	D22-S24 PolarHBondContact O-N 2.91Å; D22-S24 WeakPolarHBondContact OD2-CB 3.13Å; D22-S24 PolarHBondContact OD2-OG 2.59Å; S24-F26 PolarHBondContact O-N 3.45Å; S24-V27 PolarHBondContact O-N 3.33Å
25	D	89.2	Confident	74.9	Confident	109 Å²	109	73.2 Å²	73.2	58%	0.583	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-68.3	-19.3	178.1	-66.5	-29.1	0	0	0	112.3	D22 V23	D22-D25 WeakPolarHBondContact O-CB 3.46Å; D22-D25 PolarHBondContact O-N 3.33Å; V23-D25 PolarHBondContact O-N 2.89Å
26	F	95.1	Very high	77.8	Confident	3 Å²	3	73.1 Å²	73.1	1%	0.013	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-102.5	10	-178.2	-58.2	-73.5	0	0	0	113.2	V23 S24 I34 F35 L79 L82 I83 L99	V23-F26 PolarHBondContact O-N 2.67Å; S24-F26 PolarHBondContact O-N 3.45Å; F26-I34 HydrophobicContact CB-CD1 4.13Å; F26-I34 HydrophobicContact CB-CG2 4.44Å; F26-I34 CarbonylContact O-C 3.19Å; F26-I34 WeakPolarHBondContact O-CA 3.21Å; F26-F35 WeakPolarHBondContact O-CD2 3.44Å; F26-F35 PolarHBondContact O-N 3.14Å; F26-L79 HydrophobicContact CD1-CD1 3.83Å; F26-L79 HydrophobicContact CE1-CD1 4.06Å; F26-L82 HydrophobicContact CE1-CB 4.03Å; F26-L82 HydrophobicContact CE1-CD2 3.55Å; F26-L82 HydrophobicContact CE1-CG 3.53Å; F26-L82 HydrophobicContact CZ-CD2 3.61Å; F26-L82 HydrophobicContact CZ-CG 3.61Å; F26-I83 HydrophobicContact CB-CG1 4.31Å; F26-I83 HydrophobicContact CD1-CD1 4.24Å; F26-I83 HydrophobicContact CD1-CG1 3.42Å; F26-I83 VanDerWaalsContact CD1-CG1 3.42Å; F26-I83 HydrophobicContact CE1-CG1 4.07Å; F26-I83 HydrophobicContact CG-CG1 4.18Å; F26-L99 HydrophobicContact CB-CD1 3.97Å; F26-L99 HydrophobicContact CD1-CD1 4.24Å; F26-L99 HydrophobicContact CD2-CD1 3.3Å; F26-L99 HydrophobicContact CE2-CD1 3.75Å; F26-L99 HydrophobicContact CG-CD1 3.56Å; F26-L99 HydrophobicContact CZ-CD1 4.38Å
27	V	96.4	Very high	80.6	Confident	42 Å²	42	69.2 Å²	69.2	26%	0.255	42%	0.421	S	S	.	.	B	Isolated β-bridge	trans	-97.8	132	-174.4	173.7	0	0	0	0	111.5	S24 L32 E33 I34 F35	S24-V27 PolarHBondContact O-N 3.33Å; V27-L32 VanDerWaalsContact CG1-C 3.45Å; V27-E33 CarbonylContact C-O 3.49Å; V27-E33 VanDerWaalsContact CA-O 3.29Å; V27-E33 WeakPolarHBondContact CA-O 3.48Å; V27-I34 HydrophobicContact CG2-CD1 4.26Å; V27-F35 WeakPolarHBondContact O-CE2 3.38Å; V27-F35 WeakPolarHBondContact O-CZ 3.47Å
28	C	97.3	Very high	83.3	Confident	0 Å²	0	63 Å²	63	0%	0	38%	0.381	C	S	.	.			trans	-70.6	127.7	173.1	178.7	0	0	0	0	110.7	V30 C31 L32 E33 F35 C48	C28-V30 PolarHBondContact O-N 2.97Å; C28-V30 VanDerWaalsContact O-N 3.08Å; C28-C31 VanDerWaalsContact CB-SG 3.58Å; C28-L32 WeakPolarHBondContact O-CA 3.48Å; C28-L32 PolarHBondContact O-N 3.05Å; C28-E33 PolarHBondContact N-O 2.96Å; C28-F35 HydrophobicContact CB-CD1 3.75Å; C28-F35 HydrophobicContact CB-CE1 3.69Å; C28-F35 HydrophobicContact CB-CZ 4.4Å; C28-C48 VanDerWaalsContact CB-SG 3.56Å; C28-C48 VanDerWaalsContact SG-SG 3.69Å
29	P	96.6	Very high	86.4	Confident	62 Å²	62	57.3 Å²	57.3	40%	0.403	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-8.2	-177.9	29.4	-36.7	0	0	0	113.9	T46 F47 V65	P29-T46 WeakPolarHBondContact CD-O 3.32Å; P29-F47 HydrophobicContact CG-CD1 3.85Å; P29-F47 HydrophobicContact CG-CE1 3.65Å; P29-V65 HydrophobicContact CB-CG2 4.07Å; P29-V65 HydrophobicContact CG-CG2 3.85Å
30	V	96.5	Very high	89	Confident	60 Å²	60	55 Å²	55	36%	0.364	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-54.1	-179.4	176.3	0	0	0	0	111.4	C28 F47 C51 A64	C28-V30 PolarHBondContact O-N 2.97Å; C28-V30 VanDerWaalsContact O-N 3.08Å; V30-F47 HydrophobicContact CG2-CD1 3.6Å; V30-F47 HydrophobicContact CG2-CE1 3.86Å; V30-C51 HydrophobicContact CB-CB 3.82Å; V30-C51 HydrophobicContact CG1-CB 3.84Å; V30-C51 HydrophobicContact CG2-CB 4.3Å; V30-A64 HydrophobicContact CG2-CB 4.02Å
31	C	96.1	Very high	91.6	Very high	45 Å²	45	51.1 Å²	51.1	30%	0.304	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-10.4	-179.9	66.3	0	0	0	0	113.9	C28 E33	C28-C31 VanDerWaalsContact CB-SG 3.58Å; C31-E33 PolarHBondContact O-N 3.08Å; C31-E33 VanDerWaalsContact O-N 3.13Å
32	L	94.4	Very high	93.7	Very high	130 Å²	130	51.1 Å²	51.1	68%	0.681	28%	0.284	S	S	*	.	S	Bend	trans	58.9	19.5	-178.6	-51.6	-179.6	0	0	0	114.7	V27 C28	V27-L32 VanDerWaalsContact CG1-C 3.45Å; C28-L32 WeakPolarHBondContact O-CA 3.48Å; C28-L32 PolarHBondContact O-N 3.05Å
33	E	95.4	Very high	94.9	Very high	85 Å²	85	48.5 Å²	48.5	40%	0.397	27%	0.273	S	S	.	.	S	Bend	trans	-107.1	175.6	170.1	-60.4	-175.4	112.5	0	0	110	V27 C28 C31 R103	V27-E33 CarbonylContact C-O 3.49Å; V27-E33 VanDerWaalsContact CA-O 3.29Å; V27-E33 WeakPolarHBondContact CA-O 3.48Å; C28-E33 PolarHBondContact N-O 2.96Å; C31-E33 PolarHBondContact O-N 3.08Å; C31-E33 VanDerWaalsContact O-N 3.13Å; E33-R103 HydrophobicContact CB-CG 4.39Å; E33-R103 WeakPolarHBondContact OE1-CG 3.15Å; E33-R103 IonicContact OE2-NH1 2.68Å
34	I	96.3	Very high	95.7	Very high	9 Å²	9	48.8 Å²	48.8	5%	0.046	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-51.3	166.7	175	-59.7	-57.7	0	0	0	111	V23 F26 V27 I83 L99 M102 R103	V23-I34 HydrophobicContact CG1-CD1 3.68Å; F26-I34 HydrophobicContact CB-CD1 4.13Å; F26-I34 HydrophobicContact CB-CG2 4.44Å; F26-I34 CarbonylContact O-C 3.19Å; F26-I34 WeakPolarHBondContact O-CA 3.21Å; V27-I34 HydrophobicContact CG2-CD1 4.26Å; I34-I83 HydrophobicContact CG2-CD1 4.48Å; I34-I83 HydrophobicContact CG2-CG2 4.08Å; I34-L99 HydrophobicContact CD1-CD2 4.03Å; I34-L99 HydrophobicContact CG2-CB 4.22Å; I34-M102 HydrophobicContact CG1-CB 4.05Å; I34-M102 HydrophobicContact CG1-CG 4.17Å; I34-R103 PolarHBondContact O-NH1 3.3Å; I34-R103 PolarHBondContact O-NH2 3.34Å
35	F	97.6	Very high	96.4	Very high	18 Å²	18	47.8 Å²	47.8	8%	0.079	27%	0.272	C	S	.	.			trans	-77	137.1	171.9	-69.8	-78.8	0	0	0	113.5	F26 V27 C28 P38 T46 L79 I83 R103	F26-F35 WeakPolarHBondContact O-CD2 3.44Å; F26-F35 PolarHBondContact O-N 3.14Å; V27-F35 WeakPolarHBondContact O-CE2 3.38Å; V27-F35 WeakPolarHBondContact O-CZ 3.47Å; C28-F35 HydrophobicContact CB-CD1 3.75Å; C28-F35 HydrophobicContact CB-CE1 3.69Å; C28-F35 HydrophobicContact CB-CZ 4.4Å; F35-P38 HydrophobicContact CB-CB 3.85Å; F35-P38 HydrophobicContact CB-CG 4.27Å; F35-P38 HydrophobicContact CD1-CB 4.23Å; F35-P38 HydrophobicContact CG-CB 4.13Å; F35-T46 HydrophobicContact CD1-CG2 4.16Å; F35-T46 HydrophobicContact CE1-CG2 3.88Å; F35-T46 VanDerWaalsContact CE1-O 3.28Å; F35-T46 WeakPolarHBondContact CE1-O 3.28Å; F35-T46 HydrophobicContact CZ-CG2 4.18Å; F35-L79 HydrophobicContact CD2-CD2 3.66Å; F35-L79 HydrophobicContact CD2-CG 4.45Å; F35-L79 HydrophobicContact CE2-CD2 3.9Å; F35-L79 HydrophobicContact CG-CD2 4.13Å; F35-I83 HydrophobicContact CB-CD1 3.68Å; F35-I83 HydrophobicContact CD2-CD1 4.37Å; F35-R103 PolarHBondContact O-NH2 3.25Å
36	E	96.1	Very high	96.8	Very high	110 Å²	110	43.9 Å²	43.9	51%	0.514	25%	0.252	S	S	.	.	S	Bend	trans	-117.6	121.9	169.1	-177.3	171	-154.9	0	0	108.6	C48 Q49 R103	E36-C48 PolarHBondContact N-SG 3.03Å; E36-C48 VanDerWaalsContact O-CA 3.26Å; E36-C48 WeakPolarHBondContact O-CA 3.42Å; E36-C48 WeakPolarHBondContact O-CB 3.08Å; E36-Q49 PolarHBondContact O-N 3.31Å; E36-R103 VanDerWaalsContact N-NH2 3.15Å; E36-R103 IonicContact OE2-NE 3.34Å
37	T	96.8	Very high	97	Very high	52 Å²	52	43.8 Å²	43.8	32%	0.319	25%	0.252	S	S	.	.	S	Bend	trans	44.7	65.4	-173	-48.4	0	0	0	0	111.5	L39 Q49	T37-L39 PolarHBondContact O-N 2.93Å; T37-Q49 HydrophobicContact CG2-CB 4.22Å; T37-Q49 VanDerWaalsContact CG2-OE1 3.31Å; T37-Q49 PolarHBondContact O-N 3.25Å
38	P	97.8	Very high	97.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	134	-170.9	24.1	-32.6	0	0	0	112.6	F35 T46 F47 A76 L79 E80	F35-P38 HydrophobicContact CB-CB 3.85Å; F35-P38 HydrophobicContact CB-CG 4.27Å; F35-P38 HydrophobicContact CD1-CB 4.23Å; F35-P38 HydrophobicContact CG-CB 4.13Å; P38-T46 HydrophobicContact CB-CG2 3.67Å; P38-F47 CarbonylContact C-O 3.49Å; P38-F47 WeakPolarHBondContact CA-O 3.27Å; P38-A76 HydrophobicContact CB-CB 3.94Å; P38-A76 HydrophobicContact CG-CB 4.14Å; P38-A76 PolarHBondContact O-N 3.34Å; P38-L79 HydrophobicContact CB-CD2 3.91Å; P38-L79 HydrophobicContact CG-CD2 4.3Å; P38-L79 HydrophobicContact CG-CG 4.44Å; P38-E80 HydrophobicContact CG-CB 3.98Å
39	L	98.3	Very high	97.1	Very high	22 Å²	22	46 Å²	46	12%	0.115	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125	174.8	-60.6	-178.8	0	0	0	109.7	T37 T46 F47 Q49 L52 T74 K75	T37-L39 PolarHBondContact O-N 2.93Å; L39-T46 VanDerWaalsContact O-CA 3.32Å; L39-T46 WeakPolarHBondContact O-CA 3.36Å; L39-F47 PolarHBondContact N-O 3.27Å; L39-F47 PolarHBondContact O-N 3.48Å; L39-Q49 HydrophobicContact CD1-CB 4.01Å; L39-Q49 HydrophobicContact CD1-CG 4.02Å; L39-Q49 HydrophobicContact CG-CB 4.35Å; L39-L52 HydrophobicContact CB-CD2 3.84Å; L39-L52 HydrophobicContact CD1-CD2 3.78Å; L39-L52 HydrophobicContact CG-CD2 4.48Å; L39-T74 CarbonylContact C-O 3.59Å; L39-T74 WeakPolarHBondContact CA-O 3.44Å; L39-K75 HydrophobicContact CD2-CB 4.34Å
40	T	98.1	Very high	97.2	Very high	35 Å²	35	46.1 Å²	46.1	22%	0.215	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	126.4	174.7	-59.2	0	0	0	0	109.5	T46 W73 T74 A76	T40-T46 PolarHBondContact OG1-OG1 3.49Å; T40-W73 CarbonylContact O-C 3.56Å; T40-W73 VanDerWaalsContact O-CA 3.26Å; T40-W73 WeakPolarHBondContact O-CA 3.2Å; T40-T74 PolarHBondContact N-O 3.24Å; T40-T74 PolarHBondContact O-N 3.5Å; T40-A76 WeakPolarHBondContact OG1-CB 3.34Å
41	T	97.9	Very high	97.2	Very high	6 Å²	6	43.9 Å²	43.9	4%	0.037	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	162.1	177.1	58.9	0	0	0	0	111	C43 G44 H45 F47 L52 L70 W73	T41-C43 PolarHBondContact O-N 3.01Å; T41-C43 VanDerWaalsContact O-N 3.08Å; T41-C43 PolarHBondContact OG1-SG 3.09Å; T41-G44 PolarHBondContact O-N 3.27Å; T41-H45 PolarHBondContact N-O 3.15Å; T41-H45 PolarHBondContact OG1-N 3.42Å; T41-H45 PolarHBondContact OG1-O 2.91Å; T41-F47 HydrophobicContact CG2-CD2 3.82Å; T41-F47 HydrophobicContact CG2-CE2 3.72Å; T41-L52 HydrophobicContact CG2-CD1 3.8Å; T41-L52 HydrophobicContact CG2-CD2 4.32Å; T41-L70 HydrophobicContact CG2-CD2 3.7Å; T41-W73 HydrophobicContact CG2-CB 4.47Å
42	Q	97.1	Very high	97.3	Very high	69 Å²	69	41.9 Å²	41.9	32%	0.322	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.1	177.2	77.4	-73.8	57.2	0	0	114.6	G44 A69 T71 N72	Q42-G44 VanDerWaalsContact C-N 3.25Å; Q42-A69 PolarHBondContact NE2-O 2.68Å; Q42-T71 PolarHBondContact NE2-OG1 3.36Å; Q42-N72 VanDerWaalsContact CB-OD1 3.32Å; Q42-N72 WeakPolarHBondContact CB-OD1 3.29Å; Q42-N72 PolarHBondContact N-O 3.42Å; Q42-N72 PolarHBondContact OE1-O 3.24Å
43	C	97.3	Very high	97.4	Very high	37 Å²	37	41.2 Å²	41.2	25%	0.25	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-0.2	175.8	71.9	0	0	0	0	113.7	T41 H45 T68	T41-C43 PolarHBondContact O-N 3.01Å; T41-C43 VanDerWaalsContact O-N 3.08Å; T41-C43 PolarHBondContact OG1-SG 3.09Å; C43-H45 PolarHBondContact SG-ND1 2.72Å; C43-T68 HydrophobicContact CB-CG2 4.07Å
44	G	96.4	Very high	97.5	Very high	53 Å²	53	42 Å²	42	55%	0.546	23%	0.232	S	C	.	.	S	Bend	trans	91.4	-2.3	176.4	0	0	0	0	0	115.4	T41 Q42	T41-G44 PolarHBondContact O-N 3.27Å; Q42-G44 VanDerWaalsContact C-N 3.25Å
45	H	97.6	Very high	97.4	Very high	55 Å²	55	42.5 Å²	42.5	26%	0.255	24%	0.236	S	C	.	.			trans	-89.2	139.8	177.7	-63	102.2	0	0	0	111.9	T41 C43 F47 V65 C66	T41-H45 PolarHBondContact N-O 3.15Å; T41-H45 PolarHBondContact OG1-N 3.42Å; T41-H45 PolarHBondContact OG1-O 2.91Å; C43-H45 PolarHBondContact SG-ND1 2.72Å; H45-F47 HydrophobicContact CB-CE2 3.74Å; H45-F47 HydrophobicContact CB-CZ 3.75Å; H45-V65 HydrophobicContact CB-CB 4.43Å; H45-V65 HydrophobicContact CB-CG2 4.27Å; H45-V65 VanDerWaalsContact CD2-CG1 3.44Å; H45-V65 WeakPolarHBondContact CD2-CG1 3.25Å; H45-V65 VanDerWaalsContact NE2-CG1 3.27Å; H45-V65 WeakPolarHBondContact NE2-CG1 3.37Å; H45-C66 VanDerWaalsContact CE1-SG 3.58Å; H45-C66 PolarHBondContact ND1-SG 2.95Å
46	T	98.1	Very high	97.3	Very high	28 Å²	28	44 Å²	44	17%	0.172	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142.1	-178.7	-51.3	0	0	0	0	111.3	P29 F35 P38 L39 T40 A76 L79	P29-T46 WeakPolarHBondContact CD-O 3.32Å; F35-T46 HydrophobicContact CD1-CG2 4.16Å; F35-T46 HydrophobicContact CE1-CG2 3.88Å; F35-T46 VanDerWaalsContact CE1-O 3.28Å; F35-T46 WeakPolarHBondContact CE1-O 3.28Å; F35-T46 HydrophobicContact CZ-CG2 4.18Å; P38-T46 HydrophobicContact CB-CG2 3.67Å; L39-T46 VanDerWaalsContact O-CA 3.32Å; L39-T46 WeakPolarHBondContact O-CA 3.36Å; T40-T46 PolarHBondContact OG1-OG1 3.49Å; T46-A76 HydrophobicContact CG2-CB 4.15Å; T46-L79 HydrophobicContact CG2-CD2 3.67Å
47	F	98.3	Very high	97.2	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	159.2	-179.2	-55.3	-80.2	0	0	0	110	P29 V30 P38 L39 T41 H45 C51 L52 A64 V65	P29-F47 HydrophobicContact CG-CD1 3.85Å; P29-F47 HydrophobicContact CG-CE1 3.65Å; V30-F47 HydrophobicContact CG2-CD1 3.6Å; V30-F47 HydrophobicContact CG2-CE1 3.86Å; P38-F47 CarbonylContact C-O 3.49Å; P38-F47 WeakPolarHBondContact CA-O 3.27Å; L39-F47 PolarHBondContact N-O 3.27Å; L39-F47 PolarHBondContact O-N 3.48Å; T41-F47 HydrophobicContact CG2-CD2 3.82Å; T41-F47 HydrophobicContact CG2-CE2 3.72Å; H45-F47 HydrophobicContact CB-CE2 3.74Å; H45-F47 HydrophobicContact CB-CZ 3.75Å; F47-C51 HydrophobicContact CB-CB 4.44Å; F47-L52 HydrophobicContact CB-CB 4.11Å; F47-L52 HydrophobicContact CD2-CD1 4.07Å; F47-A64 HydrophobicContact CE1-CB 4.1Å; F47-V65 HydrophobicContact CE1-CG2 4Å; F47-V65 HydrophobicContact CZ-CG2 3.97Å
48	C	98.4	Very high	97	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.014	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	151.8	162.1	-56.7	0	0	0	0	109.9	C28 E36 S50 C51 L52	C28-C48 VanDerWaalsContact CB-SG 3.56Å; C28-C48 VanDerWaalsContact SG-SG 3.69Å; E36-C48 PolarHBondContact N-SG 3.03Å; E36-C48 VanDerWaalsContact O-CA 3.26Å; E36-C48 WeakPolarHBondContact O-CA 3.42Å; E36-C48 WeakPolarHBondContact O-CB 3.08Å; C48-S50 VanDerWaalsContact C-N 3.31Å; C48-S50 PolarHBondContact O-N 3.08Å; C48-C51 HydrophobicContact CB-CB 4.08Å; C48-C51 PolarHBondContact O-N 2.93Å; C48-L52 PolarHBondContact O-N 3.42Å
49	Q	97.9	Very high	96.5	Very high	85 Å²	85	56.8 Å²	56.8	40%	0.397	30%	0.3	S	S	.	.	H	α-helix	trans	-54.9	-46.8	177.1	176.2	176.6	-7.3	0	0	112.4	E36 T37 L39 L52 Q53	E36-Q49 PolarHBondContact O-N 3.31Å; T37-Q49 HydrophobicContact CG2-CB 4.22Å; T37-Q49 VanDerWaalsContact CG2-OE1 3.31Å; T37-Q49 PolarHBondContact O-N 3.25Å; L39-Q49 HydrophobicContact CD1-CB 4.01Å; L39-Q49 HydrophobicContact CD1-CG 4.02Å; L39-Q49 HydrophobicContact CG-CB 4.35Å; Q49-L52 PolarHBondContact O-N 3.04Å; Q49-Q53 WeakPolarHBondContact O-CG 3.26Å; Q49-Q53 PolarHBondContact O-N 3.25Å
50	S	97.9	Very high	96.2	Very high	66 Å²	66	64.3 Å²	64.3	46%	0.462	33%	0.332	S	S	.	.	H	α-helix	trans	-63.2	-42.6	177.9	51.8	0	0	0	0	112.4	C48 Q53 E54	C48-S50 VanDerWaalsContact C-N 3.31Å; C48-S50 PolarHBondContact O-N 3.08Å; S50-Q53 WeakPolarHBondContact O-CB 3.12Å; S50-Q53 PolarHBondContact O-N 2.85Å; S50-E54 PolarHBondContact O-N 3.41Å; S50-E54 VanDerWaalsContact O-N 3.16Å
51	C	98.3	Very high	96.1	Very high	13 Å²	13	64.2 Å²	64.2	9%	0.088	33%	0.332	C	S	.	.	H	α-helix	trans	-64	-40.9	176.7	-64.8	0	0	0	0	112.3	V30 F47 C48 Q53 E54 C55	V30-C51 HydrophobicContact CB-CB 3.82Å; V30-C51 HydrophobicContact CG1-CB 3.84Å; V30-C51 HydrophobicContact CG2-CB 4.3Å; F47-C51 HydrophobicContact CB-CB 4.44Å; C48-C51 HydrophobicContact CB-CB 4.08Å; C48-C51 PolarHBondContact O-N 2.93Å; C51-Q53 VanDerWaalsContact C-N 3.34Å; C51-E54 VanDerWaalsContact O-CB 3.27Å; C51-E54 WeakPolarHBondContact O-CB 3.28Å; C51-E54 PolarHBondContact O-N 3.3Å; C51-C55 PolarHBondContact O-N 3.34Å; C51-C55 PolarHBondContact O-SG 2.88Å; C51-C55 VanDerWaalsContact O-SG 3.39Å
52	L	97.8	Very high	96	Very high	2 Å²	2	67.2 Å²	67.2	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-65.1	-40.3	176.5	-176.5	58.8	0	0	0	111.2	L39 T41 F47 C48 Q49 E54 C55 L56 L70 W73	L39-L52 HydrophobicContact CB-CD2 3.84Å; L39-L52 HydrophobicContact CD1-CD2 3.78Å; L39-L52 HydrophobicContact CG-CD2 4.48Å; T41-L52 HydrophobicContact CG2-CD1 3.8Å; T41-L52 HydrophobicContact CG2-CD2 4.32Å; F47-L52 HydrophobicContact CB-CB 4.11Å; F47-L52 HydrophobicContact CD2-CD1 4.07Å; C48-L52 PolarHBondContact O-N 3.42Å; Q49-L52 PolarHBondContact O-N 3.04Å; L52-E54 PolarHBondContact O-N 3.49Å; L52-C55 WeakPolarHBondContact O-CB 3.41Å; L52-C55 PolarHBondContact O-N 3.06Å; L52-C55 VanDerWaalsContact O-N 3.11Å; L52-L56 HydrophobicContact CG-CD1 4.21Å; L52-L56 VanDerWaalsContact O-CG 3.3Å; L52-L56 WeakPolarHBondContact O-CG 3.32Å; L52-L56 PolarHBondContact O-N 2.84Å; L52-L56 VanDerWaalsContact O-N 3.16Å; L52-L70 HydrophobicContact CD1-CD1 3.88Å; L52-W73 HydrophobicContact CD2-CB 3.77Å; L52-W73 HydrophobicContact CD2-CD2 3.79Å; L52-W73 HydrophobicContact CD2-CE3 4.29Å; L52-W73 HydrophobicContact CD2-CG 3.52Å
53	Q	97.1	Very high	96	Very high	117 Å²	117	63.9 Å²	63.9	55%	0.547	34%	0.335	S	S	.	.	H	α-helix	trans	-58	-38	175.4	-73.9	174.7	-36	0	0	112.1	Q49 S50 C51 L56 R57	Q49-Q53 WeakPolarHBondContact O-CG 3.26Å; Q49-Q53 PolarHBondContact O-N 3.25Å; S50-Q53 WeakPolarHBondContact O-CB 3.12Å; S50-Q53 PolarHBondContact O-N 2.85Å; C51-Q53 VanDerWaalsContact C-N 3.34Å; Q53-L56 PolarHBondContact O-N 3.47Å; Q53-R57 PolarHBondContact O-N 2.94Å
54	E	96.6	Very high	96	Very high	100 Å²	100	65.1 Å²	65.1	47%	0.467	35%	0.348	S	S	.	.	H	α-helix	trans	-60.3	-45.3	174.3	-161.5	68	-159.5	0	0	111.9	S50 C51 L52 L56 R57	S50-E54 PolarHBondContact O-N 3.41Å; S50-E54 VanDerWaalsContact O-N 3.16Å; C51-E54 VanDerWaalsContact O-CB 3.27Å; C51-E54 WeakPolarHBondContact O-CB 3.28Å; C51-E54 PolarHBondContact O-N 3.3Å; L52-E54 PolarHBondContact O-N 3.49Å; E54-L56 PolarHBondContact O-N 2.82Å; E54-R57 VanDerWaalsContact CD-CZ 3.5Å; E54-R57 PolarHBondContact O-N 2.81Å; E54-R57 IonicContact OE1-CZ 2.67Å; E54-R57 IonicContact OE1-NH1 3.44Å; E54-R57 PolarHBondContact OE1-NH1 3.04Å; E54-R57 IonicContact OE1-NH2 2.73Å; E54-R57 PolarHBondContact OE1-NH2 3.18Å; E54-R57 IonicContact OE2-CZ 3.77Å; E54-R57 IonicContact OE2-NH1 2.94Å; E54-R57 PolarHBondContact OE2-NH1 2.89Å; E54-R57 IonicContact OE2-NH2 3.26Å; E54-R57 PolarHBondContact OE2-NH2 2.81Å
55	C	94.8	Very high	96	Very high	21 Å²	21	66 Å²	66	14%	0.142	34%	0.342	C	S	.	.	H	α-helix	trans	-66.2	-19.3	177.7	-60	0	0	0	0	113.5	C51 L52 P58 P61 L70	C51-C55 PolarHBondContact O-N 3.34Å; C51-C55 PolarHBondContact O-SG 2.88Å; C51-C55 VanDerWaalsContact O-SG 3.39Å; L52-C55 WeakPolarHBondContact O-CB 3.41Å; L52-C55 PolarHBondContact O-N 3.06Å; L52-C55 VanDerWaalsContact O-N 3.11Å; C55-P58 WeakPolarHBondContact O-CD 3.37Å; C55-P61 WeakPolarHBondContact O-CB 2.9Å; C55-L70 HydrophobicContact CB-CD1 3.94Å
56	L	95.7	Very high	96	Very high	48 Å²	48	66 Å²	66	25%	0.251	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-10.4	179.4	-66	168.7	0	0	0	113.4	L52 Q53 E54 P61 L70 W73	L52-L56 HydrophobicContact CG-CD1 4.21Å; L52-L56 VanDerWaalsContact O-CG 3.3Å; L52-L56 WeakPolarHBondContact O-CG 3.32Å; L52-L56 PolarHBondContact O-N 2.84Å; L52-L56 VanDerWaalsContact O-N 3.16Å; Q53-L56 PolarHBondContact O-N 3.47Å; E54-L56 PolarHBondContact O-N 2.82Å; L56-P61 HydrophobicContact CD2-CB 3.97Å; L56-P61 HydrophobicContact CD2-CG 4.31Å; L56-L70 HydrophobicContact CD2-CB 3.88Å; L56-L70 HydrophobicContact CD2-CD1 4.07Å; L56-W73 HydrophobicContact CD1-CE3 4.4Å; L56-W73 HydrophobicContact CD1-CH2 3.33Å; L56-W73 HydrophobicContact CD1-CZ2 3.63Å; L56-W73 HydrophobicContact CD1-CZ3 3.76Å; L56-W73 HydrophobicContact CD2-CE3 4.43Å; L56-W73 HydrophobicContact CD2-CH2 3.8Å; L56-W73 HydrophobicContact CD2-CZ3 3.55Å; L56-W73 HydrophobicContact CG-CH2 4.23Å; L56-W73 HydrophobicContact CG-CZ3 4.31Å
57	R	93.8	Very high	95.9	Very high	163 Å²	163	74.7 Å²	74.7	62%	0.615	38%	0.377	S	S	*	.	S	Bend	trans	-64.7	-40.3	-179.6	-167.1	-172.5	-60.1	98.3	-5.4	114.3	Q53 E54	Q53-R57 PolarHBondContact O-N 2.94Å; E54-R57 VanDerWaalsContact CD-CZ 3.5Å; E54-R57 PolarHBondContact O-N 2.81Å; E54-R57 IonicContact OE1-CZ 2.67Å; E54-R57 IonicContact OE1-NH1 3.44Å; E54-R57 PolarHBondContact OE1-NH1 3.04Å; E54-R57 IonicContact OE1-NH2 2.73Å; E54-R57 PolarHBondContact OE1-NH2 3.18Å; E54-R57 IonicContact OE2-CZ 3.77Å; E54-R57 IonicContact OE2-NH1 2.94Å; E54-R57 PolarHBondContact OE2-NH1 2.89Å; E54-R57 IonicContact OE2-NH2 3.26Å; E54-R57 PolarHBondContact OE2-NH2 2.81Å
58	P	91.6	Very high	95.9	Very high	76 Å²	76	77.8 Å²	77.8	49%	0.494	40%	0.396	S	S	.	.	S	Bend	trans	-63.8	152.5	179.4	-22.5	34.9	0	0	0	112.7	C55 K60	C55-P58 WeakPolarHBondContact O-CD 3.37Å; P58-K60 PolarHBondContact O-N 2.86Å; P58-K60 VanDerWaalsContact O-N 3.12Å
59	Q	87.6	Confident	95.8	Very high	194 Å²	194	80.4 Å²	80.4	91%	0.907	42%	0.418	S	S	*	.	S	Bend	trans	-57.6	-28.8	179.1	-68.6	-69.6	-6.3	0	0	113.8
60	K	92.8	Very high	95.7	Very high	180 Å²	180	76.9 Å²	76.9	78%	0.783	40%	0.402	S	S	*	.	S	Bend	trans	-122.8	85.2	175.5	-66.8	-178.5	-177.1	176.7	0	108.4	P58	P58-K60 PolarHBondContact O-N 2.86Å; P58-K60 VanDerWaalsContact O-N 3.12Å
61	P	95	Very high	95.6	Very high	33 Å²	33	78.7 Å²	78.7	21%	0.214	41%	0.411	C	S	.	.			trans	-73	134	-173.9	30.6	-36	0	0	0	111	C55 L56 A69 L70	C55-P61 WeakPolarHBondContact O-CB 2.9Å; L56-P61 HydrophobicContact CD2-CB 3.97Å; L56-P61 HydrophobicContact CD2-CG 4.31Å; P61-A69 WeakPolarHBondContact O-CA 3.3Å; P61-L70 HydrophobicContact CB-CB 4.32Å; P61-L70 PolarHBondContact O-N 2.93Å
62	V	96.6	Very high	95.4	Very high	68 Å²	68	82.2 Å²	82.2	41%	0.412	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-132.9	149.9	-177.9	-65.4	0	0	0	0	110.5	A64 T68	V62-A64 PolarHBondContact O-N 3.42Å; V62-T68 CarbonylContact C-O 3.57Å; V62-T68 WeakPolarHBondContact CA-O 3.19Å
63	C	97.4	Very high	95.4	Very high	0 Å²	0	87.1 Å²	87.1	0%	0	45%	0.447	C	S	.	.			trans	-60.1	129.2	174.4	176.4	0	0	0	0	110.4	V65 C66 R67 T68 L70	C63-V65 PolarHBondContact O-N 3.33Å; C63-V65 VanDerWaalsContact O-N 3.15Å; C63-V65 PolarHBondContact SG-N 2.9Å; C63-V65 VanDerWaalsContact SG-N 3.4Å; C63-C66 VanDerWaalsContact SG-SG 3.65Å; C63-R67 WeakPolarHBondContact O-CA 3.19Å; C63-R67 PolarHBondContact O-N 2.83Å; C63-T68 WeakPolarHBondContact CB-O 3.21Å; C63-T68 PolarHBondContact N-O 3.45Å; C63-L70 HydrophobicContact CB-CD2 3.91Å
64	A	95.9	Very high	95.4	Very high	63 Å²	63	86 Å²	86	52%	0.521	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.3	178.3	0	0	0	0	0	113.9	V30 F47 V62	V30-A64 HydrophobicContact CG2-CB 4.02Å; F47-A64 HydrophobicContact CE1-CB 4.1Å; V62-A64 PolarHBondContact O-N 3.42Å
65	V	97.2	Very high	95.5	Very high	72 Å²	72	86.7 Å²	86.7	44%	0.436	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-53.4	-178.3	-173.6	0	0	0	0	112	P29 H45 F47 C63	P29-V65 HydrophobicContact CB-CG2 4.07Å; P29-V65 HydrophobicContact CG-CG2 3.85Å; H45-V65 HydrophobicContact CB-CB 4.43Å; H45-V65 HydrophobicContact CB-CG2 4.27Å; H45-V65 VanDerWaalsContact CD2-CG1 3.44Å; H45-V65 WeakPolarHBondContact CD2-CG1 3.25Å; H45-V65 VanDerWaalsContact NE2-CG1 3.27Å; H45-V65 WeakPolarHBondContact NE2-CG1 3.37Å; F47-V65 HydrophobicContact CE1-CG2 4Å; F47-V65 HydrophobicContact CZ-CG2 3.97Å; C63-V65 PolarHBondContact O-N 3.33Å; C63-V65 VanDerWaalsContact O-N 3.15Å; C63-V65 PolarHBondContact SG-N 2.9Å; C63-V65 VanDerWaalsContact SG-N 3.4Å
66	C	97.1	Very high	95.6	Very high	53 Å²	53	86.2 Å²	86.2	36%	0.358	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	2.7	-173.4	68.9	0	0	0	0	114.9	H45 C63 T68	H45-C66 VanDerWaalsContact CE1-SG 3.58Å; H45-C66 PolarHBondContact ND1-SG 2.95Å; C63-C66 VanDerWaalsContact SG-SG 3.65Å; C66-T68 PolarHBondContact O-N 2.82Å; C66-T68 PolarHBondContact SG-OG1 2.9Å
67	R	96.4	Very high	95.5	Very high	211 Å²	211	85.6 Å²	85.6	80%	0.796	45%	0.453	S	S	*	.			trans	60.4	11.2	-179.9	-51.8	-177.6	-178.1	-163.6	-0.4	115.7	C63	C63-R67 WeakPolarHBondContact O-CA 3.19Å; C63-R67 PolarHBondContact O-N 2.83Å
68	T	97.3	Very high	95.6	Very high	66 Å²	66	85 Å²	85	41%	0.405	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-65.4	140	172.5	-61.9	0	0	0	0	110.1	C43 V62 C63 C66 L70	C43-T68 HydrophobicContact CB-CG2 4.07Å; V62-T68 CarbonylContact C-O 3.57Å; V62-T68 WeakPolarHBondContact CA-O 3.19Å; C63-T68 WeakPolarHBondContact CB-O 3.21Å; C63-T68 PolarHBondContact N-O 3.45Å; C66-T68 PolarHBondContact O-N 2.82Å; C66-T68 PolarHBondContact SG-OG1 2.9Å; T68-L70 PolarHBondContact O-N 3.39Å
69	A	97.2	Very high	95.7	Very high	58 Å²	58	83.1 Å²	83.1	48%	0.479	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-57.8	133.3	178.8	0	0	0	0	0	111.6	Q42 P61	Q42-A69 PolarHBondContact NE2-O 2.68Å; P61-A69 WeakPolarHBondContact O-CA 3.3Å
70	L	96.4	Very high	96.1	Very high	11 Å²	11	76 Å²	76	6%	0.058	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-88.6	119.9	179.5	-62	177.1	0	0	0	110	T41 L52 C55 L56 P61 C63 T68	T41-L70 HydrophobicContact CG2-CD2 3.7Å; L52-L70 HydrophobicContact CD1-CD1 3.88Å; C55-L70 HydrophobicContact CB-CD1 3.94Å; L56-L70 HydrophobicContact CD2-CB 3.88Å; L56-L70 HydrophobicContact CD2-CD1 4.07Å; P61-L70 HydrophobicContact CB-CB 4.32Å; P61-L70 PolarHBondContact O-N 2.93Å; C63-L70 HydrophobicContact CB-CD2 3.91Å; T68-L70 PolarHBondContact O-N 3.39Å
71	T	94.9	Very high	96.2	Very high	104 Å²	104	70.3 Å²	70.3	64%	0.638	40%	0.401	S	S	*	.			trans	-131.2	-30.4	-176.5	61.5	0	0	0	0	112.3	Q42	Q42-T71 PolarHBondContact NE2-OG1 3.36Å
72	N	95.3	Very high	96.2	Very high	86 Å²	86	72.7 Å²	72.7	46%	0.46	41%	0.411	S	S	.	.			trans	-150.3	161.8	173.3	73.2	59.3	0	0	0	111.6	Q42	Q42-N72 VanDerWaalsContact CB-OD1 3.32Å; Q42-N72 WeakPolarHBondContact CB-OD1 3.29Å; Q42-N72 PolarHBondContact N-O 3.42Å; Q42-N72 PolarHBondContact OE1-O 3.24Å
73	W	97.1	Very high	96.1	Very high	105 Å²	105	69.7 Å²	69.7	40%	0.398	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	153.4	177.4	49	86.7	0	0	0	110.2	T40 T41 L52 L56	T40-W73 CarbonylContact O-C 3.56Å; T40-W73 VanDerWaalsContact O-CA 3.26Å; T40-W73 WeakPolarHBondContact O-CA 3.2Å; T41-W73 HydrophobicContact CG2-CB 4.47Å; L52-W73 HydrophobicContact CD2-CB 3.77Å; L52-W73 HydrophobicContact CD2-CD2 3.79Å; L52-W73 HydrophobicContact CD2-CE3 4.29Å; L52-W73 HydrophobicContact CD2-CG 3.52Å; L56-W73 HydrophobicContact CD1-CE3 4.4Å; L56-W73 HydrophobicContact CD1-CH2 3.33Å; L56-W73 HydrophobicContact CD1-CZ2 3.63Å; L56-W73 HydrophobicContact CD1-CZ3 3.76Å; L56-W73 HydrophobicContact CD2-CE3 4.43Å; L56-W73 HydrophobicContact CD2-CH2 3.8Å; L56-W73 HydrophobicContact CD2-CZ3 3.55Å; L56-W73 HydrophobicContact CG-CH2 4.23Å; L56-W73 HydrophobicContact CG-CZ3 4.31Å
74	T	97.6	Very high	96	Very high	93 Å²	93	75.4 Å²	75.4	57%	0.571	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.5	179.6	54.3	0	0	0	0	110.7	L39 T40 A76	L39-T74 CarbonylContact C-O 3.59Å; L39-T74 WeakPolarHBondContact CA-O 3.44Å; T40-T74 PolarHBondContact N-O 3.24Å; T40-T74 PolarHBondContact O-N 3.5Å; T74-A76 PolarHBondContact O-N 2.97Å
75	K	97.5	Very high	95.9	Very high	115 Å²	115	76.7 Å²	76.7	50%	0.5	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	130.5	175.2	-168.8	175.4	-175.1	-171	0	110.4	L39 G77 E80	L39-K75 HydrophobicContact CD2-CB 4.34Å; K75-G77 VanDerWaalsContact C-N 3.28Å; K75-G77 PolarHBondContact O-N 2.84Å; K75-G77 VanDerWaalsContact O-N 3.08Å; K75-E80 VanDerWaalsContact CE-OE1 3.25Å; K75-E80 WeakPolarHBondContact CE-OE1 3.43Å; K75-E80 WeakPolarHBondContact CE-OE2 3.43Å; K75-E80 IonicContact NZ-OE1 2.92Å; K75-E80 PolarHBondContact NZ-OE1 2.82Å; K75-E80 IonicContact NZ-OE2 2.63Å; K75-E80 PolarHBondContact NZ-OE2 3.41Å
76	A	96.7	Very high	95.8	Very high	12 Å²	12	74 Å²	74	10%	0.099	41%	0.408	C	S	.	.			trans	-85.6	70.4	176.3	0	0	0	0	0	110	P38 T40 T46 T74 D78 L79 E80	P38-A76 HydrophobicContact CB-CB 3.94Å; P38-A76 HydrophobicContact CG-CB 4.14Å; P38-A76 PolarHBondContact O-N 3.34Å; T40-A76 WeakPolarHBondContact OG1-CB 3.34Å; T46-A76 HydrophobicContact CG2-CB 4.15Å; T74-A76 PolarHBondContact O-N 2.97Å; A76-D78 VanDerWaalsContact C-N 3.32Å; A76-D78 PolarHBondContact O-N 3.32Å; A76-L79 HydrophobicContact CB-CB 3.99Å; A76-L79 HydrophobicContact CB-CD2 4.44Å; A76-L79 PolarHBondContact O-N 3.4Å; A76-E80 PolarHBondContact O-N 3.36Å
77	G	95.1	Very high	95.7	Very high	35 Å²	35	76 Å²	76	36%	0.361	42%	0.419	S	S	.	.	H	α-helix	trans	-58.6	-40.4	-174.6	0	0	0	0	0	113.5	K75 L79 E80 A81	K75-G77 VanDerWaalsContact C-N 3.28Å; K75-G77 PolarHBondContact O-N 2.84Å; K75-G77 VanDerWaalsContact O-N 3.08Å; G77-L79 PolarHBondContact O-N 3.15Å; G77-E80 PolarHBondContact O-N 3.2Å; G77-A81 WeakPolarHBondContact O-CB 3.43Å; G77-A81 PolarHBondContact O-N 2.58Å
78	D	94.4	Very high	95.6	Very high	149 Å²	149	66.4 Å²	66.4	80%	0.797	39%	0.385	S	S	*	.	H	α-helix	trans	-64.6	-41.4	178.8	-57.8	-42.2	0	0	0	112	A76 A81 L82	A76-D78 VanDerWaalsContact C-N 3.32Å; A76-D78 PolarHBondContact O-N 3.32Å; D78-A81 PolarHBondContact O-N 3.24Å; D78-L82 WeakPolarHBondContact O-CB 3.5Å; D78-L82 PolarHBondContact O-N 2.88Å
79	L	94.9	Very high	95.5	Very high	37 Å²	37	65.6 Å²	65.6	19%	0.194	39%	0.385	C	S	.	.	H	α-helix	trans	-66.6	-42.8	176.3	-178.9	63.4	0	0	0	111.2	F26 F35 P38 T46 A76 G77 A81 L82 I83	F26-L79 HydrophobicContact CD1-CD1 3.83Å; F26-L79 HydrophobicContact CE1-CD1 4.06Å; F35-L79 HydrophobicContact CD2-CD2 3.66Å; F35-L79 HydrophobicContact CD2-CG 4.45Å; F35-L79 HydrophobicContact CE2-CD2 3.9Å; F35-L79 HydrophobicContact CG-CD2 4.13Å; P38-L79 HydrophobicContact CB-CD2 3.91Å; P38-L79 HydrophobicContact CG-CD2 4.3Å; P38-L79 HydrophobicContact CG-CG 4.44Å; T46-L79 HydrophobicContact CG2-CD2 3.67Å; A76-L79 HydrophobicContact CB-CB 3.99Å; A76-L79 HydrophobicContact CB-CD2 4.44Å; A76-L79 PolarHBondContact O-N 3.4Å; G77-L79 PolarHBondContact O-N 3.15Å; L79-A81 VanDerWaalsContact C-N 3.34Å; L79-A81 PolarHBondContact O-N 3.08Å; L79-L82 PolarHBondContact O-N 2.85Å; L79-I83 HydrophobicContact CD1-CD1 4.4Å; L79-I83 HydrophobicContact CG-CD1 4.03Å; L79-I83 VanDerWaalsContact O-CG1 3.28Å; L79-I83 WeakPolarHBondContact O-CG1 3.49Å; L79-I83 PolarHBondContact O-N 2.89Å
80	E	95.1	Very high	95.4	Very high	45 Å²	45	63 Å²	63	21%	0.21	36%	0.363	C	S	.	.	H	α-helix	trans	-59.7	-45.8	175.7	-172.1	-177.9	-133.2	0	0	110.8	P38 K75 A76 G77 L82 I83 H84	P38-E80 HydrophobicContact CG-CB 3.98Å; K75-E80 VanDerWaalsContact CE-OE1 3.25Å; K75-E80 WeakPolarHBondContact CE-OE1 3.43Å; K75-E80 WeakPolarHBondContact CE-OE2 3.43Å; K75-E80 IonicContact NZ-OE1 2.92Å; K75-E80 PolarHBondContact NZ-OE1 2.82Å; K75-E80 IonicContact NZ-OE2 2.63Å; K75-E80 PolarHBondContact NZ-OE2 3.41Å; A76-E80 PolarHBondContact O-N 3.36Å; G77-E80 PolarHBondContact O-N 3.2Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 2.65Å; E80-I83 PolarHBondContact O-N 3.24Å; E80-H84 PolarHBondContact O-N 3.01Å; E80-H84 VanDerWaalsContact O-N 3.09Å; E80-H84 PolarHBondContact O-ND1 3.43Å
81	A	95.1	Very high	95.2	Very high	61 Å²	61	69.3 Å²	69.3	50%	0.504	39%	0.39	S	S	.	.	H	α-helix	trans	-60.9	-41.2	176.7	0	0	0	0	0	112.2	G77 D78 L79 H84 S85	G77-A81 WeakPolarHBondContact O-CB 3.43Å; G77-A81 PolarHBondContact O-N 2.58Å; D78-A81 PolarHBondContact O-N 3.24Å; L79-A81 VanDerWaalsContact C-N 3.34Å; L79-A81 PolarHBondContact O-N 3.08Å; A81-H84 PolarHBondContact O-N 3.35Å; A81-S85 PolarHBondContact O-N 3.29Å; A81-S85 VanDerWaalsContact O-N 3.15Å; A81-S85 PolarHBondContact O-OG 2.99Å
82	L	94.8	Very high	95.1	Very high	82 Å²	82	65.5 Å²	65.5	43%	0.429	37%	0.371	S	S	.	.	H	α-helix	trans	-66.3	-37.8	177.8	-170.2	60.7	0	0	0	112.1	F26 D78 L79 E80 H84 S85 S86	F26-L82 HydrophobicContact CE1-CB 4.03Å; F26-L82 HydrophobicContact CE1-CD2 3.55Å; F26-L82 HydrophobicContact CE1-CG 3.53Å; F26-L82 HydrophobicContact CZ-CD2 3.61Å; F26-L82 HydrophobicContact CZ-CG 3.61Å; D78-L82 WeakPolarHBondContact O-CB 3.5Å; D78-L82 PolarHBondContact O-N 2.88Å; L79-L82 PolarHBondContact O-N 2.85Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 2.65Å; L82-H84 VanDerWaalsContact C-N 3.31Å; L82-H84 PolarHBondContact O-N 2.77Å; L82-S85 PolarHBondContact O-N 2.91Å; L82-S85 PolarHBondContact O-OG 3.23Å; L82-S85 VanDerWaalsContact O-OG 3.14Å; L82-S86 WeakPolarHBondContact O-CB 3.36Å; L82-S86 PolarHBondContact O-N 3.21Å; L82-S86 PolarHBondContact O-OG 3.34Å
83	I	95.6	Very high	95.1	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.026	36%	0.359	C	S	.	.	H	α-helix	trans	-62.4	-39.5	173.4	-70.7	165.5	0	0	0	111.1	F26 I34 F35 L79 E80 S85 L99	F26-I83 HydrophobicContact CB-CG1 4.31Å; F26-I83 HydrophobicContact CD1-CD1 4.24Å; F26-I83 HydrophobicContact CD1-CG1 3.42Å; F26-I83 VanDerWaalsContact CD1-CG1 3.42Å; F26-I83 HydrophobicContact CE1-CG1 4.07Å; F26-I83 HydrophobicContact CG-CG1 4.18Å; I34-I83 HydrophobicContact CG2-CD1 4.48Å; I34-I83 HydrophobicContact CG2-CG2 4.08Å; F35-I83 HydrophobicContact CB-CD1 3.68Å; F35-I83 HydrophobicContact CD2-CD1 4.37Å; L79-I83 HydrophobicContact CD1-CD1 4.4Å; L79-I83 HydrophobicContact CG-CD1 4.03Å; L79-I83 VanDerWaalsContact O-CG1 3.28Å; L79-I83 WeakPolarHBondContact O-CG1 3.49Å; L79-I83 PolarHBondContact O-N 2.89Å; E80-I83 PolarHBondContact O-N 3.24Å; I83-S85 VanDerWaalsContact C-N 3.33Å; I83-S85 PolarHBondContact O-N 2.97Å; I83-L99 HydrophobicContact CG2-CB 3.88Å
84	H	94.6	Very high	95	Very high	120 Å²	120	60.3 Å²	60.3	56%	0.556	37%	0.365	S	S	*	.	H	α-helix	trans	-70.7	-27.6	179.7	-74.6	85.9	0	0	0	113.4	E80 A81 L82	E80-H84 PolarHBondContact O-N 3.01Å; E80-H84 VanDerWaalsContact O-N 3.09Å; E80-H84 PolarHBondContact O-ND1 3.43Å; A81-H84 PolarHBondContact O-N 3.35Å; L82-H84 VanDerWaalsContact C-N 3.31Å; L82-H84 PolarHBondContact O-N 2.77Å
85	S	94	Very high	94.9	Very high	90 Å²	90	59.8 Å²	59.8	63%	0.629	36%	0.361	S	S	*	.	H	α-helix	trans	-92.6	-11.3	178.5	62.9	0	0	0	0	114.1	A81 L82 I83	A81-S85 PolarHBondContact O-N 3.29Å; A81-S85 VanDerWaalsContact O-N 3.15Å; A81-S85 PolarHBondContact O-OG 2.99Å; L82-S85 PolarHBondContact O-N 2.91Å; L82-S85 PolarHBondContact O-OG 3.23Å; L82-S85 VanDerWaalsContact O-OG 3.14Å; I83-S85 VanDerWaalsContact C-N 3.33Å; I83-S85 PolarHBondContact O-N 2.97Å
86	S	94	Very high	94.8	Very high	15 Å²	15	60.2 Å²	60.2	11%	0.105	37%	0.366	C	S	.	.			trans	-95.7	147.1	-176.1	-61.3	0	0	0	0	112.7	L82 L99	L82-S86 WeakPolarHBondContact O-CB 3.36Å; L82-S86 PolarHBondContact O-N 3.21Å; L82-S86 PolarHBondContact O-OG 3.34Å; S86-L99 PolarHBondContact O-N 3.2Å
87	V	95.4	Very high	94.7	Very high	97 Å²	97	60.4 Å²	60.4	59%	0.588	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	149	176	-62.9	0	0	0	0	110	V97	V87-V97 WeakPolarHBondContact CA-O 3.26Å
88	A	94.3	Very high	94.8	Very high	9 Å²	9	59.6 Å²	59.6	7%	0.074	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	157.4	174.4	0	0	0	0	0	112.1	V23 V97 L99 M102	V23-A88 HydrophobicContact CG2-CB 3.42Å; V23-A88 VanDerWaalsContact CG2-CB 3.42Å; A88-V97 PolarHBondContact N-O 3.19Å; A88-V97 PolarHBondContact O-N 3.34Å; A88-L99 HydrophobicContact CB-CD2 3.59Å; A88-M102 HydrophobicContact CB-CE 3.96Å; A88-M102 WeakPolarHBondContact O-CE 3.29Å
89	A	95.3	Very high	94.8	Very high	49 Å²	49	52.6 Å²	52.6	41%	0.405	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	129.5	175	0	0	0	0	0	110.3	K91 V95 Q96	A89-K91 PolarHBondContact O-N 2.89Å; A89-V95 WeakPolarHBondContact CA-O 3.41Å; A89-Q96 VanDerWaalsContact CB-OE1 3.27Å
90	C	94.8	Very high	94.9	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.027	33%	0.328	C	S	.	.			trans	-62.3	130.3	168.8	171.5	0	0	0	0	110.2	G92 C93 G94 V95 M102 H105	C90-G92 PolarHBondContact O-N 3.22Å; C90-G92 PolarHBondContact SG-N 3.17Å; C90-C93 VanDerWaalsContact CB-SG 3.6Å; C90-G94 WeakPolarHBondContact O-CA 3.41Å; C90-G94 PolarHBondContact O-N 3.29Å; C90-V95 PolarHBondContact N-O 2.88Å; C90-M102 HydrophobicContact CB-SD 4.43Å; C90-H105 VanDerWaalsContact CB-NE2 3.3Å; C90-H105 WeakPolarHBondContact CB-NE2 3.4Å; C90-H105 PolarHBondContact SG-NE2 3.14Å
91	K	92.1	Very high	94.9	Very high	143 Å²	143	57.2 Å²	57.2	62%	0.622	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-25.9	-178.6	-62.7	-66.2	-175.7	178.9	0	113.9	A89 Y112 Y115	A89-K91 PolarHBondContact O-N 2.89Å; K91-Y112 HydrophobicContact CB-CD2 4.44Å; K91-Y112 HydrophobicContact CB-CE2 4.2Å; K91-Y115 HydrophobicContact CB-CD1 4.09Å; K91-Y115 HydrophobicContact CB-CD2 4.41Å; K91-Y115 HydrophobicContact CB-CE1 3.81Å; K91-Y115 HydrophobicContact CB-CE2 4.13Å; K91-Y115 HydrophobicContact CB-CG 4.39Å; K91-Y115 HydrophobicContact CG-CE1 4.44Å
92	G	93.4	Very high	94.9	Very high	23 Å²	23	55.1 Å²	55.1	24%	0.237	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-58.8	178.6	0	0	0	0	0	113.2	C90 K111	C90-G92 PolarHBondContact O-N 3.22Å; C90-G92 PolarHBondContact SG-N 3.17Å; G92-K111 WeakPolarHBondContact CA-O 3.37Å
93	C	95.8	Very high	94.9	Very high	32 Å²	32	53.2 Å²	53.2	22%	0.216	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-14.3	-174.1	70.4	0	0	0	0	115.3	C90 V95 H105 K111	C90-C93 VanDerWaalsContact CB-SG 3.6Å; C93-V95 HydrophobicContact CB-CG2 4.39Å; C93-V95 PolarHBondContact O-N 3.43Å; C93-H105 VanDerWaalsContact SG-CE1 3.52Å; C93-H105 PolarHBondContact SG-NE2 3.1Å; C93-H105 VanDerWaalsContact SG-NE2 3.36Å; C93-K111 HydrophobicContact CB-CB 4.1Å; C93-K111 HydrophobicContact CB-CD 3.77Å; C93-K111 HydrophobicContact CB-CG 4.44Å
94	G	93.9	Very high	95	Very high	50 Å²	50	56.9 Å²	56.9	52%	0.515	34%	0.339	S	S	.	.			trans	75.9	-1.9	-177.4	0	0	0	0	0	115.3	C90	C90-G94 WeakPolarHBondContact O-CA 3.41Å; C90-G94 PolarHBondContact O-N 3.29Å
95	V	95.4	Very high	95.1	Very high	82 Å²	82	53.2 Å²	53.2	50%	0.497	32%	0.322	S	S	.	.			trans	-70.5	139.4	-179.9	177	0	0	0	0	110.3	A89 C90 C93 V97	A89-V95 WeakPolarHBondContact CA-O 3.41Å; C90-V95 PolarHBondContact N-O 2.88Å; C93-V95 HydrophobicContact CB-CG2 4.39Å; C93-V95 PolarHBondContact O-N 3.43Å; V95-V97 HydrophobicContact CG1-CG2 4.26Å; V95-V97 PolarHBondContact O-N 3Å
96	Q	96.3	Very high	95.1	Very high	125 Å²	125	49.8 Å²	49.8	58%	0.584	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	118.3	172.2	-65	-72.8	81.8	0	0	109.7	A89	A89-Q96 VanDerWaalsContact CB-OE1 3.27Å
97	V	95.6	Very high	95.1	Very high	15 Å²	15	53.4 Å²	53.4	9%	0.091	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137.9	-179.6	-175	0	0	0	0	108.5	V87 A88 V95 Q101 M102 H105	V87-V97 WeakPolarHBondContact CA-O 3.26Å; A88-V97 PolarHBondContact N-O 3.19Å; A88-V97 PolarHBondContact O-N 3.34Å; V95-V97 HydrophobicContact CG1-CG2 4.26Å; V95-V97 PolarHBondContact O-N 3Å; V97-Q101 HydrophobicContact CG1-CB 4.1Å; V97-M102 HydrophobicContact CB-CE 3.9Å; V97-M102 HydrophobicContact CB-SD 4.18Å; V97-H105 HydrophobicContact CG1-CB 3.93Å; V97-H105 HydrophobicContact CG2-CB 4.42Å
98	G	96.4	Very high	95.2	Very high	18 Å²	18	53 Å²	53	19%	0.186	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	137.7	172.3	0	0	0	0	0	110.6	S100 Q101 M102	G98-S100 PolarHBondContact O-N 3.23Å; G98-Q101 CarbonylContact O-C 3.56Å; G98-Q101 PolarHBondContact O-N 3.46Å; G98-M102 PolarHBondContact O-N 3.32Å
99	L	95.3	Very high	95.3	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.016	34%	0.337	C	S	.	.	H	α-helix	trans	-60	-33.4	-174.4	-66.9	-173	0	0	0	112.4	V23 F26 I34 I83 S86 A88 Q101 M102	V23-L99 HydrophobicContact CG1-CD2 4.22Å; F26-L99 HydrophobicContact CB-CD1 3.97Å; F26-L99 HydrophobicContact CD1-CD1 4.24Å; F26-L99 HydrophobicContact CD2-CD1 3.3Å; F26-L99 HydrophobicContact CE2-CD1 3.75Å; F26-L99 HydrophobicContact CG-CD1 3.56Å; F26-L99 HydrophobicContact CZ-CD1 4.38Å; I34-L99 HydrophobicContact CD1-CD2 4.03Å; I34-L99 HydrophobicContact CG2-CB 4.22Å; I83-L99 HydrophobicContact CG2-CB 3.88Å; S86-L99 PolarHBondContact O-N 3.2Å; A88-L99 HydrophobicContact CB-CD2 3.59Å; L99-Q101 PolarHBondContact O-N 3.01Å; L99-M102 HydrophobicContact CD2-CE 4.23Å; L99-M102 WeakPolarHBondContact O-CB 3.42Å; L99-M102 PolarHBondContact O-N 3.49Å
100	S	95.2	Very high	95.3	Very high	54 Å²	54	54.9 Å²	54.9	38%	0.378	35%	0.345	S	S	.	.	H	α-helix	trans	-59.5	-26.6	173.2	58.6	0	0	0	0	114.3	G98	G98-S100 PolarHBondContact O-N 3.23Å
101	Q	96	Very high	95.4	Very high	124 Å²	124	60.2 Å²	60.2	58%	0.579	37%	0.367	S	S	*	.	H	α-helix	trans	-105.4	-5	179.9	-62.8	172.3	35	0	0	112.9	V97 G98 L99 R103 S104 H105	V97-Q101 HydrophobicContact CG1-CB 4.1Å; G98-Q101 CarbonylContact O-C 3.56Å; G98-Q101 PolarHBondContact O-N 3.46Å; L99-Q101 PolarHBondContact O-N 3.01Å; Q101-R103 VanDerWaalsContact C-N 3.25Å; Q101-R103 PolarHBondContact O-N 3.39Å; Q101-S104 PolarHBondContact O-N 3.13Å; Q101-S104 PolarHBondContact O-OG 2.97Å; Q101-H105 WeakPolarHBondContact O-CB 3.35Å; Q101-H105 PolarHBondContact O-N 3.04Å
102	M	95.3	Very high	95.5	Very high	18 Å²	18	56.4 Å²	56.4	9%	0.089	35%	0.35	C	S	.	.	H	α-helix	trans	-58.6	-39.3	-174.1	-174.2	64.5	73.6	0	0	111.8	I34 A88 C90 V97 G98 L99 H105 T106	I34-M102 HydrophobicContact CG1-CB 4.05Å; I34-M102 HydrophobicContact CG1-CG 4.17Å; A88-M102 HydrophobicContact CB-CE 3.96Å; A88-M102 WeakPolarHBondContact O-CE 3.29Å; C90-M102 HydrophobicContact CB-SD 4.43Å; V97-M102 HydrophobicContact CB-CE 3.9Å; V97-M102 HydrophobicContact CB-SD 4.18Å; G98-M102 PolarHBondContact O-N 3.32Å; L99-M102 HydrophobicContact CD2-CE 4.23Å; L99-M102 WeakPolarHBondContact O-CB 3.42Å; L99-M102 PolarHBondContact O-N 3.49Å; M102-H105 WeakPolarHBondContact O-CB 3.39Å; M102-H105 PolarHBondContact O-N 3.04Å; M102-T106 HydrophobicContact CG-CG2 4.31Å; M102-T106 WeakPolarHBondContact O-CG2 3.41Å; M102-T106 PolarHBondContact O-N 3.18Å; M102-T106 PolarHBondContact O-OG1 3.26Å; M102-T106 VanDerWaalsContact O-OG1 3.04Å; M102-T106 HydrophobicContact SD-CG2 4.27Å
103	R	95.2	Very high	95.5	Very high	41 Å²	41	60.3 Å²	60.3	16%	0.155	36%	0.362	C	S	.	.	H	α-helix	trans	-64.7	-44.7	-177.4	-141	-169.1	-56.9	-75.6	-13.1	113.3	E33 I34 F35 E36 Q101 T106 A107	E33-R103 HydrophobicContact CB-CG 4.39Å; E33-R103 WeakPolarHBondContact OE1-CG 3.15Å; E33-R103 IonicContact OE2-NH1 2.68Å; I34-R103 PolarHBondContact O-NH1 3.3Å; I34-R103 PolarHBondContact O-NH2 3.34Å; F35-R103 PolarHBondContact O-NH2 3.25Å; E36-R103 VanDerWaalsContact N-NH2 3.15Å; E36-R103 IonicContact OE2-NE 3.34Å; Q101-R103 VanDerWaalsContact C-N 3.25Å; Q101-R103 PolarHBondContact O-N 3.39Å; R103-T106 PolarHBondContact O-OG1 3.33Å; R103-A107 PolarHBondContact O-N 2.83Å
104	S	96.3	Very high	95.4	Very high	82 Å²	82	64.3 Å²	64.3	57%	0.573	38%	0.377	S	S	*	.	H	α-helix	trans	-71.5	-34.4	175.8	54.6	0	0	0	0	111.4	Q101 A108	Q101-S104 PolarHBondContact O-N 3.13Å; Q101-S104 PolarHBondContact O-OG 2.97Å; S104-A108 PolarHBondContact O-N 3.21Å
105	H	96.3	Very high	95.3	Very high	44 Å²	44	67.5 Å²	67.5	20%	0.204	38%	0.375	C	S	.	.	H	α-helix	trans	-61.6	-51.2	172.3	172	83.3	0	0	0	112.1	C90 C93 V97 Q101 M102 A107 A108 C109	C90-H105 VanDerWaalsContact CB-NE2 3.3Å; C90-H105 WeakPolarHBondContact CB-NE2 3.4Å; C90-H105 PolarHBondContact SG-NE2 3.14Å; C93-H105 VanDerWaalsContact SG-CE1 3.52Å; C93-H105 PolarHBondContact SG-NE2 3.1Å; C93-H105 VanDerWaalsContact SG-NE2 3.36Å; V97-H105 HydrophobicContact CG1-CB 3.93Å; V97-H105 HydrophobicContact CG2-CB 4.42Å; Q101-H105 WeakPolarHBondContact O-CB 3.35Å; Q101-H105 PolarHBondContact O-N 3.04Å; M102-H105 WeakPolarHBondContact O-CB 3.39Å; M102-H105 PolarHBondContact O-N 3.04Å; H105-A107 VanDerWaalsContact C-N 3.27Å; H105-A107 PolarHBondContact O-N 3.35Å; H105-A108 CarbonylContact O-C 3.55Å; H105-A108 PolarHBondContact O-N 3.24Å; H105-C109 WeakPolarHBondContact O-CB 3.42Å; H105-C109 PolarHBondContact O-N 3.28Å
106	T	94.8	Very high	95.1	Very high	17 Å²	17	67 Å²	67	10%	0.104	37%	0.368	C	S	.	.	H	α-helix	trans	-62	-36	-178.6	47.3	0	0	0	0	112	M102 R103 A108 C109 Y112	M102-T106 HydrophobicContact CG-CG2 4.31Å; M102-T106 WeakPolarHBondContact O-CG2 3.41Å; M102-T106 PolarHBondContact O-N 3.18Å; M102-T106 PolarHBondContact O-OG1 3.26Å; M102-T106 VanDerWaalsContact O-OG1 3.04Å; M102-T106 HydrophobicContact SD-CG2 4.27Å; R103-T106 PolarHBondContact O-OG1 3.33Å; T106-A108 VanDerWaalsContact C-N 3.29Å; T106-A108 PolarHBondContact O-N 3.16Å; T106-C109 PolarHBondContact O-N 3.11Å; T106-Y112 VanDerWaalsContact CB-CD1 3.47Å; T106-Y112 VanDerWaalsContact CB-CE1 3.5Å; T106-Y112 HydrophobicContact CG2-CD1 3.67Å; T106-Y112 HydrophobicContact CG2-CD2 3.91Å; T106-Y112 HydrophobicContact CG2-CE1 3.55Å; T106-Y112 HydrophobicContact CG2-CE2 3.82Å; T106-Y112 HydrophobicContact CG2-CG 3.83Å
107	A	94.6	Very high	94.8	Very high	92 Å²	92	65.4 Å²	65.4	76%	0.76	36%	0.361	S	S	*	.	H	α-helix	trans	-65.1	-29.6	174	0	0	0	0	0	113.7	R103 H105	R103-A107 PolarHBondContact O-N 2.83Å; H105-A107 VanDerWaalsContact C-N 3.27Å; H105-A107 PolarHBondContact O-N 3.35Å
108	A	96.4	Very high	94.5	Very high	88 Å²	88	69 Å²	69	73%	0.727	38%	0.377	S	S	*	.	H	α-helix	trans	-100.2	-7.9	179.8	0	0	0	0	0	114	S104 H105 T106 S110	S104-A108 PolarHBondContact O-N 3.21Å; H105-A108 CarbonylContact O-C 3.55Å; H105-A108 PolarHBondContact O-N 3.24Å; T106-A108 VanDerWaalsContact C-N 3.29Å; T106-A108 PolarHBondContact O-N 3.16Å; A108-S110 PolarHBondContact O-N 3.16Å
109	C	96.8	Very high	93.9	Very high	16 Å²	16	70 Å²	70	11%	0.108	39%	0.387	C	S	.	.			trans	-90.3	105	-173.3	-175.2	0	0	0	0	111.3	H105 T106 K111 Y112 Q113	H105-C109 WeakPolarHBondContact O-CB 3.42Å; H105-C109 PolarHBondContact O-N 3.28Å; T106-C109 PolarHBondContact O-N 3.11Å; C109-K111 VanDerWaalsContact C-N 3.29Å; C109-K111 PolarHBondContact O-N 3.44Å; C109-Y112 WeakPolarHBondContact O-CB 3.46Å; C109-Y112 PolarHBondContact O-N 3.07Å; C109-Y112 PolarHBondContact SG-N 3.3Å; C109-Q113 PolarHBondContact O-N 3.24Å
110	S	96.4	Very high	93.5	Very high	82 Å²	82	74 Å²	74	57%	0.573	41%	0.411	S	S	*	.	H	α-helix	trans	-55.9	-41.6	177	59.4	0	0	0	0	113.1	A108 Y112 Q113 E114	A108-S110 PolarHBondContact O-N 3.16Å; S110-Y112 VanDerWaalsContact C-N 3.26Å; S110-Y112 PolarHBondContact O-N 3.38Å; S110-Q113 WeakPolarHBondContact O-CB 3.47Å; S110-Q113 PolarHBondContact O-N 2.94Å; S110-Q113 VanDerWaalsContact O-N 3.14Å; S110-E114 PolarHBondContact O-N 3.34Å
111	K	96.1	Very high	92.9	Very high	115 Å²	115	76.6 Å²	76.6	50%	0.5	41%	0.413	S	S	.	.	H	α-helix	trans	-64.8	-28.5	177.5	-64	-174.4	176.5	-176.6	0	113.3	G92 C93 C109 Y115	G92-K111 WeakPolarHBondContact CA-O 3.37Å; C93-K111 HydrophobicContact CB-CB 4.1Å; C93-K111 HydrophobicContact CB-CD 3.77Å; C93-K111 HydrophobicContact CB-CG 4.44Å; C109-K111 VanDerWaalsContact C-N 3.29Å; C109-K111 PolarHBondContact O-N 3.44Å; K111-Y115 WeakPolarHBondContact O-CB 3.3Å; K111-Y115 PolarHBondContact O-N 2.97Å; K111-Y115 VanDerWaalsContact O-N 3.1Å
112	Y	94.4	Very high	92	Very high	63 Å²	63	73.8 Å²	73.8	25%	0.247	41%	0.407	C	S	.	.	H	α-helix	trans	-73.6	-37.8	174.8	-171.7	-102.4	0	0	0	111	K91 T106 C109 S110 Y115 I116	K91-Y112 HydrophobicContact CB-CD2 4.44Å; K91-Y112 HydrophobicContact CB-CE2 4.2Å; T106-Y112 VanDerWaalsContact CB-CD1 3.47Å; T106-Y112 VanDerWaalsContact CB-CE1 3.5Å; T106-Y112 HydrophobicContact CG2-CD1 3.67Å; T106-Y112 HydrophobicContact CG2-CD2 3.91Å; T106-Y112 HydrophobicContact CG2-CE1 3.55Å; T106-Y112 HydrophobicContact CG2-CE2 3.82Å; T106-Y112 HydrophobicContact CG2-CG 3.83Å; C109-Y112 WeakPolarHBondContact O-CB 3.46Å; C109-Y112 PolarHBondContact O-N 3.07Å; C109-Y112 PolarHBondContact SG-N 3.3Å; S110-Y112 VanDerWaalsContact C-N 3.26Å; S110-Y112 PolarHBondContact O-N 3.38Å; Y112-Y115 HydrophobicContact CD2-CD1 4.29Å; Y112-Y115 HydrophobicContact CE2-CD1 4.17Å; Y112-Y115 HydrophobicContact CE2-CE1 4.46Å; Y112-Y115 WeakPolarHBondContact O-CB 3.27Å; Y112-Y115 PolarHBondContact O-N 3.48Å; Y112-I116 HydrophobicContact CD1-CD1 3.77Å; Y112-I116 HydrophobicContact CD1-CG1 4.35Å; Y112-I116 HydrophobicContact CE1-CD1 3.5Å; Y112-I116 HydrophobicContact CE1-CG1 4.1Å; Y112-I116 WeakPolarHBondContact O-CG1 3.46Å; Y112-I116 PolarHBondContact O-N 2.94Å
113	Q	93.4	Very high	90.9	Very high	106 Å²	106	77.1 Å²	77.1	50%	0.495	43%	0.428	S	S	.	.	H	α-helix	trans	-61.7	-45.8	173.2	-163.9	70.4	-11.1	0	0	111.7	C109 S110 Y115 I116 E117	C109-Q113 PolarHBondContact O-N 3.24Å; S110-Q113 WeakPolarHBondContact O-CB 3.47Å; S110-Q113 PolarHBondContact O-N 2.94Å; S110-Q113 VanDerWaalsContact O-N 3.14Å; Q113-Y115 VanDerWaalsContact C-N 3.31Å; Q113-Y115 PolarHBondContact O-N 3.44Å; Q113-I116 PolarHBondContact O-N 3.46Å; Q113-E117 WeakPolarHBondContact O-CG 3.33Å; Q113-E117 PolarHBondContact O-N 2.99Å
114	E	92.9	Very high	89.5	Confident	115 Å²	115	77.6 Å²	77.6	54%	0.537	44%	0.441	S	S	.	.	H	α-helix	trans	-59	-41.3	174.3	-69.8	166.5	-163.5	0	0	112.2	S110 I116 E117 E118	S110-E114 PolarHBondContact O-N 3.34Å; E114-I116 PolarHBondContact O-N 3.44Å; E114-E117 PolarHBondContact O-N 2.7Å; E114-E118 PolarHBondContact O-N 3.28Å
115	Y	91.9	Very high	87.9	Confident	118 Å²	118	81.4 Å²	81.4	46%	0.463	45%	0.45	S	S	.	.	H	α-helix	trans	-60	-43.5	175.2	166	-95	0	0	0	112.2	K91 K111 Y112 Q113 E118 G119	K91-Y115 HydrophobicContact CB-CD1 4.09Å; K91-Y115 HydrophobicContact CB-CD2 4.41Å; K91-Y115 HydrophobicContact CB-CE1 3.81Å; K91-Y115 HydrophobicContact CB-CE2 4.13Å; K91-Y115 HydrophobicContact CB-CG 4.39Å; K91-Y115 HydrophobicContact CG-CE1 4.44Å; K111-Y115 WeakPolarHBondContact O-CB 3.3Å; K111-Y115 PolarHBondContact O-N 2.97Å; K111-Y115 VanDerWaalsContact O-N 3.1Å; Y112-Y115 HydrophobicContact CD2-CD1 4.29Å; Y112-Y115 HydrophobicContact CE2-CD1 4.17Å; Y112-Y115 HydrophobicContact CE2-CE1 4.46Å; Y112-Y115 WeakPolarHBondContact O-CB 3.27Å; Y112-Y115 PolarHBondContact O-N 3.48Å; Q113-Y115 VanDerWaalsContact C-N 3.31Å; Q113-Y115 PolarHBondContact O-N 3.44Å; Y115-E118 PolarHBondContact O-N 3.14Å; Y115-G119 PolarHBondContact O-N 3.4Å
116	I	91.8	Very high	86	Confident	71 Å²	71	84.2 Å²	84.2	36%	0.364	47%	0.474	S	S	.	.	H	α-helix	trans	-61.9	-49.1	175.6	-67.7	168.7	0	0	0	110.2	Y112 Q113 E114 E118 G119 V120	Y112-I116 HydrophobicContact CD1-CD1 3.77Å; Y112-I116 HydrophobicContact CD1-CG1 4.35Å; Y112-I116 HydrophobicContact CE1-CD1 3.5Å; Y112-I116 HydrophobicContact CE1-CG1 4.1Å; Y112-I116 WeakPolarHBondContact O-CG1 3.46Å; Y112-I116 PolarHBondContact O-N 2.94Å; Q113-I116 PolarHBondContact O-N 3.46Å; E114-I116 PolarHBondContact O-N 3.44Å; I116-E118 VanDerWaalsContact C-N 3.27Å; I116-E118 PolarHBondContact O-N 2.67Å; I116-G119 PolarHBondContact O-N 3.2Å; I116-G119 VanDerWaalsContact O-N 3.1Å; I116-V120 HydrophobicContact CG2-CG2 4.44Å; I116-V120 WeakPolarHBondContact O-CG2 3.49Å; I116-V120 PolarHBondContact O-N 2.9Å
117	E	89.8	Confident	84	Confident	91 Å²	91	90.4 Å²	90.4	43%	0.425	50%	0.502	S	S	.	.	H	α-helix	trans	-59.5	-38.4	-178.6	-70	179.1	-171.3	0	0	112.5	Q113 E114 V120 R121	Q113-E117 WeakPolarHBondContact O-CG 3.33Å; Q113-E117 PolarHBondContact O-N 2.99Å; E114-E117 PolarHBondContact O-N 2.7Å; E117-V120 PolarHBondContact O-N 3.49Å; E117-R121 WeakPolarHBondContact O-CG 3.27Å; E117-R121 PolarHBondContact O-N 2.97Å; E117-R121 IonicContact OE2-NH1 3.15Å; E117-R121 PolarHBondContact OE2-NH1 3.35Å
118	E	89.1	Confident	82.1	Confident	91 Å²	91	90.9 Å²	90.9	43%	0.425	50%	0.497	S	S	.	.	H	α-helix	trans	-65.9	-38.5	176.4	-169.4	56.7	-149.6	0	0	112.2	E114 Y115 I116 V120 R121 S122	E114-E118 PolarHBondContact O-N 3.28Å; Y115-E118 PolarHBondContact O-N 3.14Å; I116-E118 VanDerWaalsContact C-N 3.27Å; I116-E118 PolarHBondContact O-N 2.67Å; E118-V120 VanDerWaalsContact C-N 3.34Å; E118-V120 PolarHBondContact O-N 2.89Å; E118-R121 PolarHBondContact O-N 3.43Å; E118-R121 IonicContact OE2-CZ 3.48Å; E118-R121 VanDerWaalsContact OE2-CZ 3.26Å; E118-R121 IonicContact OE2-NE 3.36Å; E118-R121 PolarHBondContact OE2-NE 3.18Å; E118-R121 IonicContact OE2-NH2 2.61Å; E118-R121 PolarHBondContact OE2-NH2 3.29Å; E118-S122 WeakPolarHBondContact O-CB 3.5Å; E118-S122 PolarHBondContact O-N 2.88Å; E118-S122 PolarHBondContact O-OG 2.94Å
119	G	85.1	Confident	80.3	Confident	39 Å²	39	91.9 Å²	91.9	40%	0.402	51%	0.506	S	S	.	.	H	α-helix	trans	-61.5	-41	171.8	0	0	0	0	0	112.6	Y115 I116 S122 T123	Y115-G119 PolarHBondContact O-N 3.4Å; I116-G119 PolarHBondContact O-N 3.2Å; I116-G119 VanDerWaalsContact O-N 3.1Å; G119-S122 PolarHBondContact O-N 3.5Å; G119-T123 PolarHBondContact O-N 3.27Å; G119-T123 PolarHBondContact O-OG1 3.18Å
120	V	85.1	Confident	78.3	Confident	87 Å²	87	97.3 Å²	97.3	53%	0.527	53%	0.532	S	S	.	.	H	α-helix	trans	-66.5	-43.5	175.6	177.5	0	0	0	0	111.1	I116 E117 E118 S122 T123 A124	I116-V120 HydrophobicContact CG2-CG2 4.44Å; I116-V120 WeakPolarHBondContact O-CG2 3.49Å; I116-V120 PolarHBondContact O-N 2.9Å; E117-V120 PolarHBondContact O-N 3.49Å; E118-V120 VanDerWaalsContact C-N 3.34Å; E118-V120 PolarHBondContact O-N 2.89Å; V120-S122 VanDerWaalsContact C-N 3.33Å; V120-S122 PolarHBondContact O-N 2.73Å; V120-T123 PolarHBondContact O-N 2.99Å; V120-T123 PolarHBondContact O-OG1 3.01Å; V120-A124 WeakPolarHBondContact O-CB 3.31Å; V120-A124 PolarHBondContact O-N 3.32Å
121	R	84.3	Confident	76.2	Confident	108 Å²	108	101.1 Å²	101.1	41%	0.408	55%	0.545	S	S	.	.	H	α-helix	trans	-60.5	-43.2	176.7	-77.9	-172.4	-71	-89.9	0.7	112.1	E117 E118 T123 A124 Q125	E117-R121 WeakPolarHBondContact O-CG 3.27Å; E117-R121 PolarHBondContact O-N 2.97Å; E117-R121 IonicContact OE2-NH1 3.15Å; E117-R121 PolarHBondContact OE2-NH1 3.35Å; E118-R121 PolarHBondContact O-N 3.43Å; E118-R121 IonicContact OE2-CZ 3.48Å; E118-R121 VanDerWaalsContact OE2-CZ 3.26Å; E118-R121 IonicContact OE2-NE 3.36Å; E118-R121 PolarHBondContact OE2-NE 3.18Å; E118-R121 IonicContact OE2-NH2 2.61Å; E118-R121 PolarHBondContact OE2-NH2 3.29Å; R121-T123 VanDerWaalsContact C-N 3.3Å; R121-T123 PolarHBondContact O-N 3.1Å; R121-A124 PolarHBondContact O-N 3.32Å; R121-Q125 WeakPolarHBondContact O-CG 3.5Å; R121-Q125 PolarHBondContact O-N 3.47Å
122	S	75.1	Confident	74.1	Confident	65 Å²	65	98.8 Å²	98.8	46%	0.455	54%	0.543	S	S	.	.	H	α-helix	trans	-62.2	-37.4	179.4	-61.7	0	0	0	0	112.3	E118 G119 V120	E118-S122 WeakPolarHBondContact O-CB 3.5Å; E118-S122 PolarHBondContact O-N 2.88Å; E118-S122 PolarHBondContact O-OG 2.94Å; G119-S122 PolarHBondContact O-N 3.5Å; V120-S122 VanDerWaalsContact C-N 3.33Å; V120-S122 PolarHBondContact O-N 2.73Å
123	T	72.6	Confident	72.4	Confident	88 Å²	88	101.7 Å²	101.7	54%	0.54	57%	0.569	S	S	.	*	H	α-helix	trans	-76.9	-39	176.2	52.1	0	0	0	0	112.2	G119 V120 R121 Q125 S126 Q127	G119-T123 PolarHBondContact O-N 3.27Å; G119-T123 PolarHBondContact O-OG1 3.18Å; V120-T123 PolarHBondContact O-N 2.99Å; V120-T123 PolarHBondContact O-OG1 3.01Å; R121-T123 VanDerWaalsContact C-N 3.3Å; R121-T123 PolarHBondContact O-N 3.1Å; T123-Q125 VanDerWaalsContact C-N 3.33Å; T123-Q125 PolarHBondContact O-N 2.99Å; T123-S126 PolarHBondContact O-N 3.5Å; T123-S126 VanDerWaalsContact O-N 3.14Å; T123-S126 PolarHBondContact O-OG 3Å; T123-Q127 PolarHBondContact O-N 3.4Å
124	A	67.3	Low	70.7	Confident	51 Å²	51	100.4 Å²	100.4	42%	0.421	57%	0.569	S	S	.	*	H	α-helix	trans	-63.8	-33.4	177.7	0	0	0	0	0	113.3	V120 R121 S126 Q127	V120-A124 WeakPolarHBondContact O-CB 3.31Å; V120-A124 PolarHBondContact O-N 3.32Å; R121-A124 PolarHBondContact O-N 3.32Å; A124-S126 PolarHBondContact O-N 3.18Å; A124-Q127 PolarHBondContact O-N 3.28Å; A124-Q127 VanDerWaalsContact O-N 3.09Å; A124-Q127 VanDerWaalsContact O-O 3.13Å
125	Q	60.9	Low	69.5	Low	162 Å²	162	98 Å²	98	76%	0.757	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-24.2	175.6	-74.6	175.1	15.1	0	0	113.5	R121 T123	R121-Q125 WeakPolarHBondContact O-CG 3.5Å; R121-Q125 PolarHBondContact O-N 3.47Å; T123-Q125 VanDerWaalsContact C-N 3.33Å; T123-Q125 PolarHBondContact O-N 2.99Å
126	S	57.5	Low	68.6	Low	103 Å²	103	96.8 Å²	96.8	72%	0.72	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-11.8	174.9	68.7	0	0	0	0	113.6	T123 A124	T123-S126 PolarHBondContact O-N 3.5Å; T123-S126 VanDerWaalsContact O-N 3.14Å; T123-S126 PolarHBondContact O-OG 3Å; A124-S126 PolarHBondContact O-N 3.18Å
127	Q	51.8	Low	67.8	Low	147 Å²	147	94.8 Å²	94.8	69%	0.687	55%	0.553	S	S	*	*	S	Bend	trans	-85.5	132	173.4	-123.8	170.8	27	0	0	108.7	T123 A124 A129	T123-Q127 PolarHBondContact O-N 3.4Å; A124-Q127 PolarHBondContact O-N 3.28Å; A124-Q127 VanDerWaalsContact O-N 3.09Å; A124-Q127 VanDerWaalsContact O-O 3.13Å; Q127-A129 PolarHBondContact O-N 3.1Å; Q127-A129 VanDerWaalsContact O-N 3.14Å
128	P	55.7	Low	67.4	Low	102 Å²	102	97.5 Å²	97.5	66%	0.662	56%	0.563	S	S	*	*			trans	-56.4	125.4	172.6	-14.9	24.6	0	0	0	108.8	I130	P128-I130 PolarHBondContact O-N 3.02Å
129	A	57.9	Low	67.3	Low	110 Å²	110	95.5 Å²	95.5	91%	0.909	56%	0.557	S	S	*	*	S	Bend	trans	-64	4.2	174.9	0	0	0	0	0	113.7	Q127 I131	Q127-A129 PolarHBondContact O-N 3.1Å; Q127-A129 VanDerWaalsContact O-N 3.14Å; A129-I131 PolarHBondContact O-N 3.18Å
130	I	55.2	Low	67.6	Low	129 Å²	129	94.2 Å²	94.2	66%	0.662	54%	0.54	S	S	*	.	S	Bend	trans	-88.4	100.5	173.6	-54.4	172.1	0	0	0	105.9	P128 S132	P128-I130 PolarHBondContact O-N 3.02Å; I130-S132 VanDerWaalsContact C-N 3.35Å; I130-S132 PolarHBondContact O-N 3.14Å
131	I	52.8	Low	67.9	Low	163 Å²	163	92.3 Å²	92.3	84%	0.836	53%	0.531	S	S	*	.			trans	-50.2	111	153.6	-61.6	165.7	0	0	0	104.2	A129	A129-I131 PolarHBondContact O-N 3.18Å
132	S	51.6	Low	68.3	Low	66 Å²	66	87.2 Å²	87.2	46%	0.462	51%	0.512	S	S	.	.			trans	-52.1	132	-178	74.6	0	0	0	0	107.1	I130 V134	I130-S132 VanDerWaalsContact C-N 3.35Å; I130-S132 PolarHBondContact O-N 3.14Å; S132-V134 PolarHBondContact O-N 3.29Å; S132-V134 WeakPolarHBondContact OG-CB 3.4Å; S132-V134 WeakPolarHBondContact OG-CG2 3.48Å
133	P	58	Low	69.1	Low	123 Å²	123	86.2 Å²	86.2	80%	0.799	50%	0.504	S	S	*	.	S	Bend	trans	-64.8	5	176.7	28.1	-34.9	0	0	0	112.4	P135	P133-P135 VanDerWaalsContact O-CD 3.26Å; P133-P135 WeakPolarHBondContact O-CD 3.45Å
134	V	58.6	Low	70.1	Confident	79 Å²	79	82.8 Å²	82.8	48%	0.479	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-64.3	116	175.9	-171.3	0	0	0	0	108	S132	S132-V134 PolarHBondContact O-N 3.29Å; S132-V134 WeakPolarHBondContact OG-CB 3.4Å; S132-V134 WeakPolarHBondContact OG-CG2 3.48Å
135	P	67.8	Low	71.4	Confident	65 Å²	65	83.4 Å²	83.4	42%	0.422	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-54.3	151.8	172.1	-22.9	33.7	0	0	0	110.8	P133 R137	P133-P135 VanDerWaalsContact O-CD 3.26Å; P133-P135 WeakPolarHBondContact O-CD 3.45Å; P135-R137 WeakPolarHBondContact O-CG 3.37Å; P135-R137 PolarHBondContact O-N 3.42Å; P135-R137 VanDerWaalsContact O-N 3.15Å
136	N	71.9	Confident	72.8	Confident	92 Å²	92	80.7 Å²	80.7	49%	0.492	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-60.9	119.5	171	-177.6	-2.5	0	0	0	109.6	F138 T139 S177	N136-F138 PolarHBondContact OD1-N 2.83Å; N136-T139 VanDerWaalsContact CG-O 3.28Å; N136-T139 PolarHBondContact ND2-O 3.12Å; N136-T139 PolarHBondContact ND2-OG1 3.24Å; N136-T139 PolarHBondContact OD1-N 3.48Å; N136-T139 VanDerWaalsContact OD1-N 3.09Å; N136-T139 PolarHBondContact OD1-O 3.46Å; N136-S177 WeakPolarHBondContact O-CB 3.26Å
137	R	76.4	Confident	74.4	Confident	30 Å²	30	78.2 Å²	78.2	11%	0.113	46%	0.455	C	S	.	.			trans	-115.1	0.6	-180	-67.9	175.5	-170.9	175.7	7.6	113.5	P135 F140 Y208	P135-R137 WeakPolarHBondContact O-CG 3.37Å; P135-R137 PolarHBondContact O-N 3.42Å; P135-R137 VanDerWaalsContact O-N 3.15Å; R137-F140 WeakPolarHBondContact O-CZ 3.43Å; R137-Y208 VanDerWaalsContact NH1-CB 3.29Å
138	F	80.2	Confident	76.4	Confident	147 Å²	147	76.8 Å²	76.8	65%	0.645	45%	0.448	S	S	*	.	S	Bend	trans	-108.4	-35.9	-172.8	-60.9	-72.3	0	0	0	112.7	N136 D151	N136-F138 PolarHBondContact OD1-N 2.83Å; F138-D151 WeakPolarHBondContact O-CA 3.47Å
139	T	88.3	Confident	78	Confident	50 Å²	50	77.6 Å²	77.6	31%	0.307	45%	0.447	S	S	.	.			trans	-129.4	139.4	-179.7	61.3	0	0	0	0	111.2	N136 L150	N136-T139 VanDerWaalsContact CG-O 3.28Å; N136-T139 PolarHBondContact ND2-O 3.12Å; N136-T139 PolarHBondContact ND2-OG1 3.24Å; N136-T139 PolarHBondContact OD1-N 3.48Å; N136-T139 VanDerWaalsContact OD1-N 3.09Å; N136-T139 PolarHBondContact OD1-O 3.46Å; T139-L150 CarbonylContact C-O 3.47Å; T139-L150 WeakPolarHBondContact CA-O 3.36Å
140	F	90.2	Very high	79.5	Confident	11 Å²	11	73.4 Å²	73.4	5%	0.048	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-130.5	156.1	-170.2	-55.4	-74.4	0	0	0	110.5	R137 N149 L150 Q152 L155 P173 I174	R137-F140 WeakPolarHBondContact O-CZ 3.43Å; F140-N149 PolarHBondContact O-N 2.92Å; F140-L150 PolarHBondContact N-O 2.63Å; F140-L150 PolarHBondContact O-N 3.46Å; F140-Q152 HydrophobicContact CE2-CB 4.47Å; F140-L155 HydrophobicContact CB-CD2 3.9Å; F140-L155 HydrophobicContact CD2-CD2 4.47Å; F140-L155 HydrophobicContact CG-CD2 4.35Å; F140-P173 HydrophobicContact CB-CB 4.19Å; F140-P173 HydrophobicContact CB-CG 4.05Å; F140-P173 HydrophobicContact CD1-CB 4.05Å; F140-P173 HydrophobicContact CG-CB 4.46Å; F140-P173 HydrophobicContact CG-CG 4.49Å; F140-I174 HydrophobicContact CD1-CG1 4.27Å; F140-I174 HydrophobicContact CD2-CG1 3.85Å; F140-I174 HydrophobicContact CE1-CB 4.29Å; F140-I174 HydrophobicContact CE1-CG1 4.15Å; F140-I174 HydrophobicContact CE2-CB 4.47Å; F140-I174 HydrophobicContact CE2-CG1 3.73Å; F140-I174 HydrophobicContact CE2-CG2 4.42Å; F140-I174 HydrophobicContact CG-CG1 4.12Å; F140-I174 HydrophobicContact CZ-CB 4.13Å; F140-I174 HydrophobicContact CZ-CG1 3.86Å; F140-I174 HydrophobicContact CZ-CG2 3.99Å
141	S	92.5	Very high	81.1	Confident	47 Å²	47	70.9 Å²	70.9	33%	0.329	40%	0.397	S	S	.	.			trans	-98.4	136.2	171.3	-61.3	0	0	0	0	109.9	C147	S141-C147 CarbonylContact C-O 3.57Å; S141-C147 VanDerWaalsContact CA-O 3.28Å; S141-C147 WeakPolarHBondContact CA-O 3.08Å
142	C	92.9	Very high	82.7	Confident	1 Å²	1	64 Å²	64	1%	0.007	36%	0.362	C	S	.	.			trans	-61.8	124	174.2	174.9	0	0	0	0	110.1	F144 N146 C147 L150 L155	C142-F144 PolarHBondContact O-N 3.48Å; C142-F144 PolarHBondContact SG-N 3.36Å; C142-N146 WeakPolarHBondContact O-CA 3.43Å; C142-N146 PolarHBondContact O-N 2.61Å; C142-C147 HydrophobicContact CB-CB 4.15Å; C142-C147 PolarHBondContact N-O 2.94Å; C142-L150 HydrophobicContact CB-CD1 3.94Å; C142-L155 HydrophobicContact CB-CD1 4.2Å
143	P	92.1	Very high	84.3	Confident	45 Å²	45	66.2 Å²	66.2	29%	0.292	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-11.2	-176.6	29.8	-36.7	0	0	0	113.9	V170 F190	P143-V170 HydrophobicContact CB-CB 3.76Å; P143-V170 HydrophobicContact CB-CG1 3.97Å; P143-V170 HydrophobicContact CB-CG2 4.16Å; P143-V170 HydrophobicContact CG-CB 3.93Å; P143-V170 HydrophobicContact CG-CG1 4.3Å; P143-V170 HydrophobicContact CG-CG2 3.73Å; P143-F190 HydrophobicContact CG-CE1 4.15Å; P143-F190 HydrophobicContact CG-CZ 3.89Å
144	F	92.1	Very high	85.8	Confident	16 Å²	16	62.4 Å²	62.4	7%	0.07	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-36.6	-179.7	-62.5	-72.6	0	0	0	113.8	C142 H163 D166 R168 V170 F190 F191	C142-F144 PolarHBondContact O-N 3.48Å; C142-F144 PolarHBondContact SG-N 3.36Å; F144-H163 HydrophobicContact CD2-CB 3.89Å; F144-H163 AromaticContact CD2-CD2 3.96Å; F144-H163 AromaticContact CD2-CG 3.85Å; F144-H163 HydrophobicContact CE2-CB 4.27Å; F144-H163 HydrophobicContact CG-CB 4.23Å; F144-H163 AromaticContact CG-CG 3.96Å; F144-D166 HydrophobicContact CD1-CB 4.09Å; F144-D166 VanDerWaalsContact CD1-CG 3.44Å; F144-D166 WeakPolarHBondContact CD1-OD2 3.44Å; F144-D166 HydrophobicContact CE1-CB 4Å; F144-R168 HydrophobicContact CD1-CB 4.46Å; F144-R168 HydrophobicContact CE1-CB 4.15Å; F144-R168 PolarHBondContact O-NH2 3.41Å; F144-V170 HydrophobicContact CD1-CG1 3.87Å; F144-V170 HydrophobicContact CE1-CB 4.46Å; F144-V170 HydrophobicContact CE1-CG1 3.57Å; F144-V170 HydrophobicContact CE1-CG2 4.02Å; F144-V170 HydrophobicContact CE2-CG2 4.05Å; F144-V170 HydrophobicContact CZ-CB 4.48Å; F144-V170 HydrophobicContact CZ-CG1 4.04Å; F144-V170 HydrophobicContact CZ-CG2 3.58Å; F144-F190 HydrophobicContact CD2-CE1 4.48Å; F144-F190 AromaticContact CE2-CD1 3.46Å; F144-F190 HydrophobicContact CE2-CD1 3.46Å; F144-F190 VanDerWaalsContact CE2-CD1 3.46Å; F144-F190 AromaticContact CE2-CE1 3.58Å; F144-F190 HydrophobicContact CE2-CE1 3.58Å; F144-F190 HydrophobicContact CE2-CG 4.48Å; F144-F190 AromaticContact CZ-CD1 3.72Å; F144-F190 HydrophobicContact CZ-CD1 3.72Å; F144-F190 HydrophobicContact CZ-CE1 4.27Å; F144-F190 HydrophobicContact CZ-CG 4.39Å; F144-F191 HydrophobicContact CE2-CE1 4.13Å; F144-F191 AromaticContact CE2-CZ 3.85Å; F144-F191 HydrophobicContact CE2-CZ 3.85Å; F144-F191 HydrophobicContact CZ-CE2 4.44Å; F144-F191 AromaticContact CZ-CZ 3.89Å; F144-F191 HydrophobicContact CZ-CZ 3.89Å
145	C	94	Very high	87.3	Confident	64 Å²	64	58.7 Å²	58.7	43%	0.432	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	-0.7	-173.4	68.3	0	0	0	0	114.5	C147 H158 H163	C145-C147 PolarHBondContact O-N 3.3Å; C145-H158 PolarHBondContact SG-NE2 3.36Å; C145-H163 PolarHBondContact SG-NE2 3.43Å; C145-H163 VanDerWaalsContact SG-NE2 3.37Å
146	N	91.4	Very high	88.3	Confident	104 Å²	104	56.7 Å²	56.7	56%	0.556	31%	0.309	S	S	*	.			trans	58	24.9	-178.4	-160.6	55.8	0	0	0	114.8	C142 Q148	C142-N146 WeakPolarHBondContact O-CA 3.43Å; C142-N146 PolarHBondContact O-N 2.61Å; N146-Q148 WeakPolarHBondContact O-CG 3.36Å; N146-Q148 PolarHBondContact O-N 3.43Å
147	C	92.1	Very high	89.1	Confident	51 Å²	51	58.6 Å²	58.6	35%	0.345	31%	0.314	S	S	.	.			trans	-59.8	121	167.2	-173	0	0	0	0	108.8	S141 C142 C145 L150	S141-C147 CarbonylContact C-O 3.57Å; S141-C147 VanDerWaalsContact CA-O 3.28Å; S141-C147 WeakPolarHBondContact CA-O 3.08Å; C142-C147 HydrophobicContact CB-CB 4.15Å; C142-C147 PolarHBondContact N-O 2.94Å; C145-C147 PolarHBondContact O-N 3.3Å; C147-L150 HydrophobicContact CB-CD1 4.22Å
148	Q	91.9	Very high	89.9	Confident	117 Å²	117	58.8 Å²	58.8	55%	0.547	32%	0.317	S	S	.	.			trans	-94.8	167.2	-171.3	-58	-177.6	22.2	0	0	111.7	N146 L150	N146-Q148 WeakPolarHBondContact O-CG 3.36Å; N146-Q148 PolarHBondContact O-N 3.43Å; Q148-L150 VanDerWaalsContact C-N 3.28Å; Q148-L150 PolarHBondContact O-N 2.97Å
149	N	90	Very high	90.4	Very high	120 Å²	120	51.8 Å²	51.8	64%	0.642	29%	0.286	S	S	*	.			trans	62.6	30.5	172.5	-52.6	-58.8	0	0	0	114.3	F140	F140-N149 PolarHBondContact O-N 2.92Å
150	L	90.1	Very high	90.4	Very high	21 Å²	21	51.3 Å²	51.3	11%	0.11	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-85	121.6	173.4	-59.7	171.7	0	0	0	108.5	T139 F140 C142 C147 Q148 L155 H158	T139-L150 CarbonylContact C-O 3.47Å; T139-L150 WeakPolarHBondContact CA-O 3.36Å; F140-L150 PolarHBondContact N-O 2.63Å; F140-L150 PolarHBondContact O-N 3.46Å; C142-L150 HydrophobicContact CB-CD1 3.94Å; C147-L150 HydrophobicContact CB-CD1 4.22Å; Q148-L150 VanDerWaalsContact C-N 3.28Å; Q148-L150 PolarHBondContact O-N 2.97Å; L150-L155 HydrophobicContact CB-CB 4.02Å; L150-L155 HydrophobicContact CB-CD1 4.33Å; L150-L155 HydrophobicContact CD1-CD1 3.71Å; L150-H158 HydrophobicContact CD1-CB 4.09Å
151	D	87.6	Confident	90.4	Very high	76 Å²	76	54.8 Å²	54.8	41%	0.406	31%	0.305	S	S	.	.			trans	-65.6	173.8	166.1	63.8	28.4	0	0	0	110.9	F138 D153 S154 L155	F138-D151 WeakPolarHBondContact O-CA 3.47Å; D151-D153 VanDerWaalsContact C-N 3.34Å; D151-D153 PolarHBondContact O-N 2.56Å; D151-D153 PolarHBondContact OD1-N 3.1Å; D151-S154 PolarHBondContact O-N 2.69Å; D151-S154 WeakPolarHBondContact OD1-CA 3.39Å; D151-S154 WeakPolarHBondContact OD1-CB 3.33Å; D151-S154 PolarHBondContact OD1-N 2.92Å; D151-S154 PolarHBondContact OD1-OG 3.39Å; D151-L155 VanDerWaalsContact O-CB 3.26Å; D151-L155 WeakPolarHBondContact O-CB 3.36Å; D151-L155 PolarHBondContact O-N 3.38Å
152	Q	86.3	Confident	90.4	Very high	20 Å²	20	58.8 Å²	58.8	9%	0.093	32%	0.319	C	S	.	.	H	α-helix	trans	-54.2	-48.2	-177.3	176.4	175.3	-24.4	0	0	112.4	F140 L155 V156 I174 H198 F200	F140-Q152 HydrophobicContact CE2-CB 4.47Å; Q152-L155 PolarHBondContact O-N 3.09Å; Q152-V156 WeakPolarHBondContact O-CG2 3.47Å; Q152-V156 PolarHBondContact O-N 2.98Å; Q152-V156 VanDerWaalsContact O-N 3.15Å; Q152-I174 HydrophobicContact CG-CD1 3.95Å; Q152-H198 HydrophobicContact CG-CB 4.36Å; Q152-H198 VanDerWaalsContact NE2-C 3.32Å; Q152-H198 PolarHBondContact NE2-O 3.36Å; Q152-F200 PolarHBondContact NE2-O 3.13Å
153	D	86.3	Confident	90.3	Very high	111 Å²	111	60.1 Å²	60.1	59%	0.594	33%	0.325	S	S	*	.	H	α-helix	trans	-69.7	-44.6	-177	-70.5	-27.1	0	0	0	111.4	D151 L155 V156 E157	D151-D153 VanDerWaalsContact C-N 3.34Å; D151-D153 PolarHBondContact O-N 2.56Å; D151-D153 PolarHBondContact OD1-N 3.1Å; D153-L155 VanDerWaalsContact C-N 3.27Å; D153-L155 PolarHBondContact O-N 3.39Å; D153-V156 PolarHBondContact O-N 2.85Å; D153-E157 WeakPolarHBondContact O-CB 3.43Å; D153-E157 PolarHBondContact O-N 3.09Å
154	S	88.6	Confident	89.9	Confident	44 Å²	44	61 Å²	61	31%	0.308	34%	0.336	S	S	.	.	H	α-helix	trans	-63.1	-34.6	177	-58.1	0	0	0	0	111.5	D151 H158	D151-S154 PolarHBondContact O-N 2.69Å; D151-S154 WeakPolarHBondContact OD1-CA 3.39Å; D151-S154 WeakPolarHBondContact OD1-CB 3.33Å; D151-S154 PolarHBondContact OD1-N 2.92Å; D151-S154 PolarHBondContact OD1-OG 3.39Å; S154-H158 WeakPolarHBondContact O-CB 3.23Å; S154-H158 PolarHBondContact O-N 3.14Å
155	L	89.9	Confident	89.6	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-66.8	-45.1	174.5	-177.9	69.7	0	0	0	111.1	F140 C142 L150 D151 Q152 D153 C159 P173 I174	F140-L155 HydrophobicContact CB-CD2 3.9Å; F140-L155 HydrophobicContact CD2-CD2 4.47Å; F140-L155 HydrophobicContact CG-CD2 4.35Å; C142-L155 HydrophobicContact CB-CD1 4.2Å; L150-L155 HydrophobicContact CB-CB 4.02Å; L150-L155 HydrophobicContact CB-CD1 4.33Å; L150-L155 HydrophobicContact CD1-CD1 3.71Å; D151-L155 VanDerWaalsContact O-CB 3.26Å; D151-L155 WeakPolarHBondContact O-CB 3.36Å; D151-L155 PolarHBondContact O-N 3.38Å; Q152-L155 PolarHBondContact O-N 3.09Å; D153-L155 VanDerWaalsContact C-N 3.27Å; D153-L155 PolarHBondContact O-N 3.39Å; L155-C159 VanDerWaalsContact O-CB 3.26Å; L155-C159 WeakPolarHBondContact O-CB 3.45Å; L155-C159 PolarHBondContact O-N 3.04Å; L155-C159 PolarHBondContact O-SG 2.92Å; L155-C159 VanDerWaalsContact O-SG 3.35Å; L155-P173 HydrophobicContact CD2-CG 3.65Å; L155-I174 HydrophobicContact CD2-CD1 3.98Å; L155-I174 HydrophobicContact CD2-CG1 3.99Å
156	V	88.8	Confident	89.3	Confident	24 Å²	24	70.6 Å²	70.6	15%	0.145	37%	0.366	C	S	.	.	H	α-helix	trans	-61	-46.5	177	174.9	0	0	0	0	110.5	Q152 D153 T160 L194	Q152-V156 WeakPolarHBondContact O-CG2 3.47Å; Q152-V156 PolarHBondContact O-N 2.98Å; Q152-V156 VanDerWaalsContact O-N 3.15Å; D153-V156 PolarHBondContact O-N 2.85Å; V156-T160 VanDerWaalsContact O-CB 3.23Å; V156-T160 WeakPolarHBondContact O-CB 3.36Å; V156-T160 PolarHBondContact O-N 3.3Å; V156-T160 PolarHBondContact O-OG1 2.87Å; V156-L194 HydrophobicContact CG2-CB 4.24Å; V156-L194 HydrophobicContact CG2-CD2 4.42Å
157	E	90.3	Very high	89	Confident	131 Å²	131	72 Å²	72	61%	0.612	38%	0.378	S	S	*	.	H	α-helix	trans	-64.4	-49.6	178.3	-175.1	176	-164.9	0	0	111.6	D153 C159 T160 T161	D153-E157 WeakPolarHBondContact O-CB 3.43Å; D153-E157 PolarHBondContact O-N 3.09Å; E157-C159 PolarHBondContact O-N 3.29Å; E157-T160 PolarHBondContact O-N 3.21Å; E157-T161 HydrophobicContact CG-CG2 4.3Å; E157-T161 WeakPolarHBondContact O-CB 3.05Å; E157-T161 VanDerWaalsContact O-CG2 3.3Å; E157-T161 WeakPolarHBondContact O-CG2 3.48Å; E157-T161 PolarHBondContact O-N 2.98Å; E157-T161 PolarHBondContact O-OG1 3.48Å
158	H	92.7	Very high	88.9	Confident	35 Å²	35	75.8 Å²	75.8	16%	0.162	39%	0.385	C	S	.	.	H	α-helix	trans	-56.8	-51.9	178	175	89.5	0	0	0	111.1	C145 L150 S154 T160 T161 Q162 H163	C145-H158 PolarHBondContact SG-NE2 3.36Å; L150-H158 HydrophobicContact CD1-CB 4.09Å; S154-H158 WeakPolarHBondContact O-CB 3.23Å; S154-H158 PolarHBondContact O-N 3.14Å; H158-T160 PolarHBondContact O-N 2.92Å; H158-T161 PolarHBondContact O-N 3.12Å; H158-T161 PolarHBondContact O-OG1 2.89Å; H158-Q162 VanDerWaalsContact O-CB 3.3Å; H158-Q162 WeakPolarHBondContact O-CB 3.32Å; H158-Q162 PolarHBondContact O-N 3.32Å; H158-H163 AromaticContact CD2-CD2 3.83Å; H158-H163 AromaticContact CD2-NE2 3.94Å; H158-H163 AromaticContact NE2-CD2 3.52Å; H158-H163 AromaticContact NE2-NE2 3.16Å; H158-H163 PolarHBondContact NE2-NE2 2.8Å; H158-H163 VanDerWaalsContact NE2-NE2 3.16Å
159	C	90.5	Very high	88.9	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-62.3	-44.4	-179.6	-72.9	0	0	0	0	111	L155 E157 T161 H163 F190 F191 L194	L155-C159 VanDerWaalsContact O-CB 3.26Å; L155-C159 WeakPolarHBondContact O-CB 3.45Å; L155-C159 PolarHBondContact O-N 3.04Å; L155-C159 PolarHBondContact O-SG 2.92Å; L155-C159 VanDerWaalsContact O-SG 3.35Å; E157-C159 PolarHBondContact O-N 3.29Å; C159-T161 VanDerWaalsContact C-N 3.34Å; C159-T161 PolarHBondContact O-N 3.2Å; C159-H163 CarbonylContact O-C 3.5Å; C159-H163 WeakPolarHBondContact O-CA 3.2Å; C159-H163 WeakPolarHBondContact O-CB 3.34Å; C159-H163 PolarHBondContact O-N 3.23Å; C159-F190 HydrophobicContact CB-CE1 4.14Å; C159-F191 HydrophobicContact CB-CD1 4.39Å; C159-F191 HydrophobicContact CB-CE1 3.96Å; C159-F191 WeakPolarHBondContact O-CE1 3.29Å; C159-L194 HydrophobicContact CB-CD1 3.97Å
160	T	88.1	Confident	89	Confident	40 Å²	40	69.8 Å²	69.8	25%	0.245	35%	0.354	C	S	.	.	H	α-helix	trans	-67.2	-32.8	-179.1	-57	0	0	0	0	112.8	V156 E157 H158 A164	V156-T160 VanDerWaalsContact O-CB 3.23Å; V156-T160 WeakPolarHBondContact O-CB 3.36Å; V156-T160 PolarHBondContact O-N 3.3Å; V156-T160 PolarHBondContact O-OG1 2.87Å; E157-T160 PolarHBondContact O-N 3.21Å; H158-T160 PolarHBondContact O-N 2.92Å; T160-A164 WeakPolarHBondContact O-CB 3.19Å
161	T	91.1	Very high	89.1	Confident	83 Å²	83	70.4 Å²	70.4	51%	0.509	36%	0.359	S	S	.	.	H	α-helix	trans	-90	-42.9	-176.6	56.6	0	0	0	0	113	E157 H158 C159	E157-T161 HydrophobicContact CG-CG2 4.3Å; E157-T161 WeakPolarHBondContact O-CB 3.05Å; E157-T161 VanDerWaalsContact O-CG2 3.3Å; E157-T161 WeakPolarHBondContact O-CG2 3.48Å; E157-T161 PolarHBondContact O-N 2.98Å; E157-T161 PolarHBondContact O-OG1 3.48Å; H158-T161 PolarHBondContact O-N 3.12Å; H158-T161 PolarHBondContact O-OG1 2.89Å; C159-T161 VanDerWaalsContact C-N 3.34Å; C159-T161 PolarHBondContact O-N 3.2Å
162	Q	91.8	Very high	89.3	Confident	132 Å²	132	66.9 Å²	66.9	62%	0.617	34%	0.34	S	S	*	.	H	α-helix	trans	-92.5	-20.9	-173.5	-55.8	-55.9	-46.5	0	0	113.3	H158	H158-Q162 VanDerWaalsContact O-CB 3.3Å; H158-Q162 WeakPolarHBondContact O-CB 3.32Å; H158-Q162 PolarHBondContact O-N 3.32Å
163	H	91.8	Very high	89.5	Confident	28 Å²	28	67.3 Å²	67.3	13%	0.13	34%	0.344	C	S	.	.	S	Bend	trans	-126.2	15.9	-173.7	-58.4	-64.7	0	0	0	113.9	F144 C145 H158 C159 R165 D166 F191	F144-H163 HydrophobicContact CD2-CB 3.89Å; F144-H163 AromaticContact CD2-CD2 3.96Å; F144-H163 AromaticContact CD2-CG 3.85Å; F144-H163 HydrophobicContact CE2-CB 4.27Å; F144-H163 HydrophobicContact CG-CB 4.23Å; F144-H163 AromaticContact CG-CG 3.96Å; C145-H163 PolarHBondContact SG-NE2 3.43Å; C145-H163 VanDerWaalsContact SG-NE2 3.37Å; H158-H163 AromaticContact CD2-CD2 3.83Å; H158-H163 AromaticContact CD2-NE2 3.94Å; H158-H163 AromaticContact NE2-CD2 3.52Å; H158-H163 AromaticContact NE2-NE2 3.16Å; H158-H163 PolarHBondContact NE2-NE2 2.8Å; H158-H163 VanDerWaalsContact NE2-NE2 3.16Å; C159-H163 CarbonylContact O-C 3.5Å; C159-H163 WeakPolarHBondContact O-CA 3.2Å; C159-H163 WeakPolarHBondContact O-CB 3.34Å; C159-H163 PolarHBondContact O-N 3.23Å; H163-R165 PolarHBondContact O-N 2.92Å; H163-D166 HydrophobicContact CB-CB 4.16Å; H163-D166 WeakPolarHBondContact O-CB 3.4Å; H163-D166 PolarHBondContact O-N 3.01Å; H163-F191 HydrophobicContact CB-CE1 4.15Å; H163-F191 HydrophobicContact CB-CZ 3.91Å; H163-F191 WeakPolarHBondContact O-CE2 3.49Å; H163-F191 WeakPolarHBondContact O-CZ 3.43Å
164	A	83.7	Confident	89.5	Confident	65 Å²	65	62.3 Å²	62.3	54%	0.537	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-24	-174.6	0	0	0	0	0	116.6	T160	T160-A164 WeakPolarHBondContact O-CB 3.19Å
165	R	85.4	Confident	89.5	Confident	239 Å²	239	61.9 Å²	61.9	90%	0.902	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	4.7	-177.8	-60.7	-176.8	179.7	176.9	0	113.6	H163	H163-R165 PolarHBondContact O-N 2.92Å
166	D	86.9	Confident	89.4	Confident	41 Å²	41	63.5 Å²	63.5	22%	0.219	33%	0.327	C	S	.	.			trans	-74.2	126.7	176.8	-162.6	-33.8	0	0	0	109.3	F144 H163 R168 F191	F144-D166 HydrophobicContact CD1-CB 4.09Å; F144-D166 VanDerWaalsContact CD1-CG 3.44Å; F144-D166 WeakPolarHBondContact CD1-OD2 3.44Å; F144-D166 HydrophobicContact CE1-CB 4Å; H163-D166 HydrophobicContact CB-CB 4.16Å; H163-D166 WeakPolarHBondContact O-CB 3.4Å; H163-D166 PolarHBondContact O-N 3.01Å; D166-R168 VanDerWaalsContact OD1-CB 3.29Å; D166-R168 WeakPolarHBondContact OD1-CB 3.43Å; D166-R168 VanDerWaalsContact OD1-CG 3.25Å; D166-R168 WeakPolarHBondContact OD1-CG 2.94Å; D166-R168 PolarHBondContact OD1-N 2.94Å; D166-R168 IonicContact OD1-NE 3.11Å; D166-R168 PolarHBondContact OD1-NE 3.37Å; D166-R168 VanDerWaalsContact OD1-NE 3.11Å; D166-R168 IonicContact OD2-CZ 3.32Å; D166-R168 IonicContact OD2-NE 3.07Å; D166-R168 PolarHBondContact OD2-NE 3.44Å; D166-R168 VanDerWaalsContact OD2-NE 3.07Å; D166-R168 IonicContact OD2-NH2 2.73Å; D166-R168 PolarHBondContact OD2-NH2 2.84Å; D166-F191 WeakPolarHBondContact O-CE2 3.44Å
167	T	85.7	Confident	89.2	Confident	133 Å²	133	62.9 Å²	62.9	82%	0.816	32%	0.324	S	S	*	.			trans	-101.5	2	-176	53.1	0	0	0	0	112.8	Q169	T167-Q169 PolarHBondContact O-N 3.18Å
168	R	90.4	Very high	88.8	Confident	131 Å²	131	57.8 Å²	57.8	49%	0.494	30%	0.301	S	S	.	.			trans	-66.4	131.2	-180	-68.2	-179.5	-66.6	162.4	-3	110.5	F144 D166 V170	F144-R168 HydrophobicContact CD1-CB 4.46Å; F144-R168 HydrophobicContact CE1-CB 4.15Å; F144-R168 PolarHBondContact O-NH2 3.41Å; D166-R168 VanDerWaalsContact OD1-CB 3.29Å; D166-R168 WeakPolarHBondContact OD1-CB 3.43Å; D166-R168 VanDerWaalsContact OD1-CG 3.25Å; D166-R168 WeakPolarHBondContact OD1-CG 2.94Å; D166-R168 PolarHBondContact OD1-N 2.94Å; D166-R168 IonicContact OD1-NE 3.11Å; D166-R168 PolarHBondContact OD1-NE 3.37Å; D166-R168 VanDerWaalsContact OD1-NE 3.11Å; D166-R168 IonicContact OD2-CZ 3.32Å; D166-R168 IonicContact OD2-NE 3.07Å; D166-R168 PolarHBondContact OD2-NE 3.44Å; D166-R168 VanDerWaalsContact OD2-NE 3.07Å; D166-R168 IonicContact OD2-NH2 2.73Å; D166-R168 PolarHBondContact OD2-NH2 2.84Å; R168-V170 PolarHBondContact O-N 2.75Å
169	Q	90.8	Very high	88	Confident	103 Å²	103	60.4 Å²	60.4	48%	0.481	32%	0.321	S	S	.	.			trans	-76.5	117.5	171.8	-64	-176	-7.3	0	0	109.8	T167 R186	T167-Q169 PolarHBondContact O-N 3.18Å; Q169-R186 HydrophobicContact CB-CB 4.07Å; Q169-R186 PolarHBondContact O-NH1 3.05Å
170	V	92.9	Very high	87.4	Confident	9 Å²	9	69 Å²	69	6%	0.055	35%	0.353	C	S	.	.			trans	-119.5	155.8	-176.9	-66.7	0	0	0	0	111.1	P143 F144 R168 R186 S187 F190	P143-V170 HydrophobicContact CB-CB 3.76Å; P143-V170 HydrophobicContact CB-CG1 3.97Å; P143-V170 HydrophobicContact CB-CG2 4.16Å; P143-V170 HydrophobicContact CG-CB 3.93Å; P143-V170 HydrophobicContact CG-CG1 4.3Å; P143-V170 HydrophobicContact CG-CG2 3.73Å; F144-V170 HydrophobicContact CD1-CG1 3.87Å; F144-V170 HydrophobicContact CE1-CB 4.46Å; F144-V170 HydrophobicContact CE1-CG1 3.57Å; F144-V170 HydrophobicContact CE1-CG2 4.02Å; F144-V170 HydrophobicContact CE2-CG2 4.05Å; F144-V170 HydrophobicContact CZ-CB 4.48Å; F144-V170 HydrophobicContact CZ-CG1 4.04Å; F144-V170 HydrophobicContact CZ-CG2 3.58Å; R168-V170 PolarHBondContact O-N 2.75Å; V170-R186 WeakPolarHBondContact O-CA 3.5Å; V170-S187 PolarHBondContact O-N 2.75Å; V170-S187 VanDerWaalsContact O-N 3.14Å; V170-F190 HydrophobicContact CG2-CB 3.89Å; V170-F190 HydrophobicContact CG2-CD1 3.77Å; V170-F190 HydrophobicContact CG2-CD2 3.6Å; V170-F190 HydrophobicContact CG2-CE1 4.13Å; V170-F190 HydrophobicContact CG2-CE2 4.02Å; V170-F190 HydrophobicContact CG2-CG 3.44Å; V170-F190 VanDerWaalsContact CG2-CG 3.44Å; V170-F190 HydrophobicContact CG2-CZ 4.24Å
171	V	92.4	Very high	87.1	Confident	34 Å²	34	68.1 Å²	68.1	21%	0.206	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-78.6	135.2	169.3	178.9	0	0	0	0	108	P173 A176 P183 Y185 R186	V171-P173 WeakPolarHBondContact O-CD 3.35Å; V171-A176 HydrophobicContact CG1-CB 3.93Å; V171-P183 WeakPolarHBondContact CG1-O 3.45Å; V171-P183 WeakPolarHBondContact CG2-O 3.31Å; V171-Y185 WeakPolarHBondContact CA-O 3.33Å; V171-R186 HydrophobicContact CG2-CG 3.87Å
172	C	91.1	Very high	86.7	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.014	35%	0.35	C	S	.	.			trans	-75.3	115.1	174.1	178.7	0	0	0	0	109.8	I174 C175 A176 F190 H193	C172-I174 PolarHBondContact O-N 2.91Å; C172-C175 HydrophobicContact CB-CB 4Å; C172-C175 PolarHBondContact O-N 3.36Å; C172-A176 WeakPolarHBondContact O-CB 3.02Å; C172-A176 PolarHBondContact O-N 2.83Å; C172-F190 HydrophobicContact CB-CD2 4.36Å; C172-F190 HydrophobicContact CB-CE2 3.81Å; C172-H193 PolarHBondContact SG-NE2 3.46Å
173	P	89.7	Confident	86.5	Confident	28 Å²	28	65.8 Å²	65.8	18%	0.182	35%	0.345	C	S	.	.	H	α-helix	trans	-65.5	-28.6	-176.4	27.7	-35.8	0	0	0	112.2	F140 L155 V171 S177	F140-P173 HydrophobicContact CB-CB 4.19Å; F140-P173 HydrophobicContact CB-CG 4.05Å; F140-P173 HydrophobicContact CD1-CB 4.05Å; F140-P173 HydrophobicContact CG-CB 4.46Å; F140-P173 HydrophobicContact CG-CG 4.49Å; L155-P173 HydrophobicContact CD2-CG 3.65Å; V171-P173 WeakPolarHBondContact O-CD 3.35Å; P173-S177 PolarHBondContact O-N 3.15Å
174	I	87.7	Confident	86.5	Confident	7 Å²	7	70.7 Å²	70.7	4%	0.036	37%	0.373	C	S	.	.	H	α-helix	trans	-66.1	-54	175.3	-51.7	164.1	0	0	0	109.5	F140 Q152 L155 C172 A176 S177 L194 H198	F140-I174 HydrophobicContact CD1-CG1 4.27Å; F140-I174 HydrophobicContact CD2-CG1 3.85Å; F140-I174 HydrophobicContact CE1-CB 4.29Å; F140-I174 HydrophobicContact CE1-CG1 4.15Å; F140-I174 HydrophobicContact CE2-CB 4.47Å; F140-I174 HydrophobicContact CE2-CG1 3.73Å; F140-I174 HydrophobicContact CE2-CG2 4.42Å; F140-I174 HydrophobicContact CG-CG1 4.12Å; F140-I174 HydrophobicContact CZ-CB 4.13Å; F140-I174 HydrophobicContact CZ-CG1 3.86Å; F140-I174 HydrophobicContact CZ-CG2 3.99Å; Q152-I174 HydrophobicContact CG-CD1 3.95Å; L155-I174 HydrophobicContact CD2-CD1 3.98Å; L155-I174 HydrophobicContact CD2-CG1 3.99Å; C172-I174 PolarHBondContact O-N 2.91Å; I174-A176 VanDerWaalsContact C-N 3.34Å; I174-A176 PolarHBondContact O-N 3.43Å; I174-S177 PolarHBondContact O-N 3.36Å; I174-S177 VanDerWaalsContact O-N 3.12Å; I174-S177 PolarHBondContact O-OG 2.66Å; I174-L194 HydrophobicContact CD1-CD2 4.03Å; I174-H198 HydrophobicContact CD1-CB 3.94Å; I174-H198 WeakPolarHBondContact CG2-CE1 3.33Å; I174-H198 WeakPolarHBondContact CG2-ND1 3.42Å
175	C	87.6	Confident	86.8	Confident	35 Å²	35	73.8 Å²	73.8	24%	0.236	37%	0.371	C	S	.	.	H	α-helix	trans	-60	-43.4	177.7	-75.5	0	0	0	0	112.1	C172 S177 M178 G181 H193 H198	C172-C175 HydrophobicContact CB-CB 4Å; C172-C175 PolarHBondContact O-N 3.36Å; C175-S177 PolarHBondContact O-N 3.15Å; C175-M178 WeakPolarHBondContact O-CB 3.06Å; C175-M178 PolarHBondContact O-N 3.4Å; C175-G181 VanDerWaalsContact O-CA 3.26Å; C175-G181 WeakPolarHBondContact O-CA 3.26Å; C175-H193 PolarHBondContact SG-CE1 2.66Å; C175-H198 PolarHBondContact SG-NE2 2.81Å
176	A	88.2	Confident	87.1	Confident	33 Å²	33	69.3 Å²	69.3	27%	0.273	35%	0.354	S	S	.	.	H	α-helix	trans	-62.3	-22.2	178.7	0	0	0	0	0	113.7	V171 C172 I174 M178	V171-A176 HydrophobicContact CG1-CB 3.93Å; C172-A176 WeakPolarHBondContact O-CB 3.02Å; C172-A176 PolarHBondContact O-N 2.83Å; I174-A176 VanDerWaalsContact C-N 3.34Å; I174-A176 PolarHBondContact O-N 3.43Å; A176-M178 VanDerWaalsContact C-N 3.35Å
177	S	85.3	Confident	87	Confident	12 Å²	12	67.6 Å²	67.6	8%	0.084	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-10.7	175.3	76.4	0	0	0	0	114.2	N136 P173 I174 C175	N136-S177 WeakPolarHBondContact O-CB 3.26Å; P173-S177 PolarHBondContact O-N 3.15Å; I174-S177 PolarHBondContact O-N 3.36Å; I174-S177 VanDerWaalsContact O-N 3.12Å; I174-S177 PolarHBondContact O-OG 2.66Å; C175-S177 PolarHBondContact O-N 3.15Å
178	M	80.8	Confident	86.9	Confident	24 Å²	24	67 Å²	67	12%	0.118	34%	0.342	C	S	.	.	S	Bend	trans	-80.5	145.1	-180	-59.7	-60	-69.2	0	0	111.2	C175 A176 W180 G181 Y208	C175-M178 WeakPolarHBondContact O-CB 3.06Å; C175-M178 PolarHBondContact O-N 3.4Å; A176-M178 VanDerWaalsContact C-N 3.35Å; M178-W180 HydrophobicContact CB-CD2 4.4Å; M178-W180 HydrophobicContact CE-CH2 3.62Å; M178-W180 HydrophobicContact CE-CZ2 3.14Å; M178-W180 HydrophobicContact CE-CZ3 4.42Å; M178-W180 PolarHBondContact O-N 3.09Å; M178-W180 VanDerWaalsContact O-N 3.13Å; M178-G181 PolarHBondContact O-N 2.89Å; M178-Y208 HydrophobicContact CE-CE1 3.79Å; M178-Y208 WeakPolarHBondContact CE-OH 2.9Å
179	P	75.6	Confident	86.7	Confident	89 Å²	89	64 Å²	64	58%	0.578	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.9	178.2	-25.2	34.1	0	0	0	114.7
180	W	78.3	Confident	86.6	Confident	180 Å²	180	59.4 Å²	59.4	68%	0.682	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	6.8	177.3	54.5	83.8	0	0	0	113.2	M178 Y208	M178-W180 HydrophobicContact CB-CD2 4.4Å; M178-W180 HydrophobicContact CE-CH2 3.62Å; M178-W180 HydrophobicContact CE-CZ2 3.14Å; M178-W180 HydrophobicContact CE-CZ3 4.42Å; M178-W180 PolarHBondContact O-N 3.09Å; M178-W180 VanDerWaalsContact O-N 3.13Å; W180-Y208 AromaticContact CH2-CD1 3.99Å; W180-Y208 HydrophobicContact CH2-CD1 3.99Å; W180-Y208 AromaticContact CH2-CE1 3.56Å; W180-Y208 HydrophobicContact CH2-CE1 3.56Å; W180-Y208 HydrophobicContact CZ2-CE1 4.34Å; W180-Y208 HydrophobicContact CZ3-CD1 4.25Å; W180-Y208 HydrophobicContact CZ3-CE1 4.27Å
181	G	81.3	Confident	86.3	Confident	22 Å²	22	60.3 Å²	60.3	23%	0.227	32%	0.317	C	S	.	.			trans	-74.9	145.3	177	0	0	0	0	0	111.9	C175 M178 P183	C175-G181 VanDerWaalsContact O-CA 3.26Å; C175-G181 WeakPolarHBondContact O-CA 3.26Å; M178-G181 PolarHBondContact O-N 2.89Å; G181-P183 WeakPolarHBondContact O-CD 3.46Å
182	D	84.3	Confident	86	Confident	87 Å²	87	64 Å²	64	47%	0.465	33%	0.332	S	S	.	.			trans	-94.5	112.6	169.3	178.1	0.9	0	0	0	109.7	N184 Y185	D182-N184 PolarHBondContact O-N 3.19Å; D182-N184 VanDerWaalsContact O-N 3.15Å; D182-N184 WeakPolarHBondContact OD1-CB 3.46Å; D182-N184 PolarHBondContact OD1-N 3.37Å; D182-Y185 PolarHBondContact O-N 3.07Å
183	P	87.4	Confident	85.9	Confident	80 Å²	80	65.5 Å²	65.5	52%	0.519	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.3	178.7	-21.5	34.5	0	0	0	114.5	V171 G181	V171-P183 WeakPolarHBondContact CG1-O 3.45Å; V171-P183 WeakPolarHBondContact CG2-O 3.31Å; G181-P183 WeakPolarHBondContact O-CD 3.46Å
184	N	90.7	Very high	85.7	Confident	131 Å²	131	64.1 Å²	64.1	70%	0.701	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-8.3	179	-61	-61.4	0	0	0	112.8	D182 R186	D182-N184 PolarHBondContact O-N 3.19Å; D182-N184 VanDerWaalsContact O-N 3.15Å; D182-N184 WeakPolarHBondContact OD1-CB 3.46Å; D182-N184 PolarHBondContact OD1-N 3.37Å; N184-R186 PolarHBondContact O-N 3.41Å
185	Y	90.3	Very high	85.4	Confident	130 Å²	130	69 Å²	69	51%	0.51	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-69.2	116.7	-178.3	178.6	-99	0	0	0	111.1	V171 D182	V171-Y185 WeakPolarHBondContact CA-O 3.33Å; D182-Y185 PolarHBondContact O-N 3.07Å
186	R	91.3	Very high	85.1	Confident	145 Å²	145	72.3 Å²	72.3	55%	0.547	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-102.3	121.1	177	-65.9	177.4	178.1	-101.2	-1.4	109.6	Q169 V170 V171 N184	Q169-R186 HydrophobicContact CB-CB 4.07Å; Q169-R186 PolarHBondContact O-NH1 3.05Å; V170-R186 WeakPolarHBondContact O-CA 3.5Å; V171-R186 HydrophobicContact CG2-CG 3.87Å; N184-R186 PolarHBondContact O-N 3.41Å
187	S	86.1	Confident	84.6	Confident	4 Å²	4	78.5 Å²	78.5	3%	0.028	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-72.6	135.5	179.4	-64.6	0	0	0	0	110.5	V170	V170-S187 PolarHBondContact O-N 2.75Å; V170-S187 VanDerWaalsContact O-N 3.14Å
188	T	83.9	Confident	84.3	Confident	120 Å²	120	78.6 Å²	78.6	74%	0.736	38%	0.381	S	S	*	.	S	Bend	trans	-70.9	-34	174.1	48.9	0	0	0	0	112.1
189	D	86.4	Confident	83.8	Confident	69 Å²	69	82.1 Å²	82.1	37%	0.369	40%	0.404	S	S	.	.	S	Bend	trans	-129	90.4	168.3	-171.3	-21.9	0	0	0	109.5	F191 Q192 H193	D189-F191 VanDerWaalsContact C-N 3.34Å; D189-F191 PolarHBondContact O-N 2.98Å; D189-F191 PolarHBondContact OD1-N 3.4Å; D189-Q192 HydrophobicContact CB-CB 4.07Å; D189-Q192 WeakPolarHBondContact OD1-CB 3.31Å; D189-Q192 PolarHBondContact OD1-N 3.06Å; D189-Q192 WeakPolarHBondContact OD2-CB 3.47Å; D189-Q192 PolarHBondContact OD2-OE1 3.35Å; D189-H193 WeakPolarHBondContact O-CB 3.26Å; D189-H193 PolarHBondContact O-N 2.9Å
190	F	88.3	Confident	83.3	Confident	6 Å²	6	83 Å²	83	3%	0.026	40%	0.399	C	S	.	.	H	α-helix	trans	-64.3	-36.6	-178.2	177.2	-108.8	0	0	0	112.8	P143 F144 C159 V170 C172 H193 L194	P143-F190 HydrophobicContact CG-CE1 4.15Å; P143-F190 HydrophobicContact CG-CZ 3.89Å; F144-F190 HydrophobicContact CD2-CE1 4.48Å; F144-F190 AromaticContact CE2-CD1 3.46Å; F144-F190 HydrophobicContact CE2-CD1 3.46Å; F144-F190 VanDerWaalsContact CE2-CD1 3.46Å; F144-F190 AromaticContact CE2-CE1 3.58Å; F144-F190 HydrophobicContact CE2-CE1 3.58Å; F144-F190 HydrophobicContact CE2-CG 4.48Å; F144-F190 AromaticContact CZ-CD1 3.72Å; F144-F190 HydrophobicContact CZ-CD1 3.72Å; F144-F190 HydrophobicContact CZ-CE1 4.27Å; F144-F190 HydrophobicContact CZ-CG 4.39Å; C159-F190 HydrophobicContact CB-CE1 4.14Å; V170-F190 HydrophobicContact CG2-CB 3.89Å; V170-F190 HydrophobicContact CG2-CD1 3.77Å; V170-F190 HydrophobicContact CG2-CD2 3.6Å; V170-F190 HydrophobicContact CG2-CE1 4.13Å; V170-F190 HydrophobicContact CG2-CE2 4.02Å; V170-F190 HydrophobicContact CG2-CG 3.44Å; V170-F190 VanDerWaalsContact CG2-CG 3.44Å; V170-F190 HydrophobicContact CG2-CZ 4.24Å; C172-F190 HydrophobicContact CB-CD2 4.36Å; C172-F190 HydrophobicContact CB-CE2 3.81Å; F190-H193 WeakPolarHBondContact O-CB 3.42Å; F190-H193 PolarHBondContact O-N 3.03Å; F190-L194 HydrophobicContact CD1-CD1 4Å; F190-L194 HydrophobicContact CD1-CG 4.41Å; F190-L194 HydrophobicContact CD2-CG 4.39Å; F190-L194 HydrophobicContact CE1-CD1 3.3Å; F190-L194 HydrophobicContact CE1-CG 3.96Å; F190-L194 HydrophobicContact CE2-CD1 4.09Å; F190-L194 HydrophobicContact CE2-CD2 4.06Å; F190-L194 HydrophobicContact CE2-CG 3.88Å; F190-L194 HydrophobicContact CZ-CD1 3.37Å; F190-L194 HydrophobicContact CZ-CD2 3.96Å; F190-L194 HydrophobicContact CZ-CG 3.69Å; F190-L194 WeakPolarHBondContact O-CG 3.28Å; F190-L194 PolarHBondContact O-N 3.22Å
191	F	86.1	Confident	82.7	Confident	28 Å²	28	76.4 Å²	76.4	12%	0.123	38%	0.38	C	S	.	.	H	α-helix	trans	-72.1	-43.1	-177.6	-60.2	-69.5	0	0	0	111.6	F144 C159 H163 D166 D189 H193 L194 K195	F144-F191 HydrophobicContact CE2-CE1 4.13Å; F144-F191 AromaticContact CE2-CZ 3.85Å; F144-F191 HydrophobicContact CE2-CZ 3.85Å; F144-F191 HydrophobicContact CZ-CE2 4.44Å; F144-F191 AromaticContact CZ-CZ 3.89Å; F144-F191 HydrophobicContact CZ-CZ 3.89Å; C159-F191 HydrophobicContact CB-CD1 4.39Å; C159-F191 HydrophobicContact CB-CE1 3.96Å; C159-F191 WeakPolarHBondContact O-CE1 3.29Å; H163-F191 HydrophobicContact CB-CE1 4.15Å; H163-F191 HydrophobicContact CB-CZ 3.91Å; H163-F191 WeakPolarHBondContact O-CE2 3.49Å; H163-F191 WeakPolarHBondContact O-CZ 3.43Å; D166-F191 WeakPolarHBondContact O-CE2 3.44Å; D189-F191 VanDerWaalsContact C-N 3.34Å; D189-F191 PolarHBondContact O-N 2.98Å; D189-F191 PolarHBondContact OD1-N 3.4Å; F191-H193 VanDerWaalsContact C-N 3.31Å; F191-L194 PolarHBondContact O-N 2.84Å; F191-K195 WeakPolarHBondContact O-CB 3.23Å; F191-K195 VanDerWaalsContact O-CG 3.31Å; F191-K195 WeakPolarHBondContact O-CG 3.3Å; F191-K195 PolarHBondContact O-N 2.74Å
192	Q	86	Confident	81.7	Confident	111 Å²	111	81.3 Å²	81.3	52%	0.519	39%	0.393	S	S	.	.	H	α-helix	trans	-64.3	-40	174.4	-172.6	176.5	1.9	0	0	110.8	D189 K195 I196	D189-Q192 HydrophobicContact CB-CB 4.07Å; D189-Q192 WeakPolarHBondContact OD1-CB 3.31Å; D189-Q192 PolarHBondContact OD1-N 3.06Å; D189-Q192 WeakPolarHBondContact OD2-CB 3.47Å; D189-Q192 PolarHBondContact OD2-OE1 3.35Å; Q192-K195 PolarHBondContact O-N 2.97Å; Q192-I196 HydrophobicContact CG-CD1 3.63Å; Q192-I196 HydrophobicContact CG-CG1 4.39Å; Q192-I196 WeakPolarHBondContact O-CB 3.3Å; Q192-I196 VanDerWaalsContact O-CG1 3.29Å; Q192-I196 WeakPolarHBondContact O-CG1 3.4Å; Q192-I196 PolarHBondContact O-N 3.45Å
193	H	89.2	Confident	80.6	Confident	34 Å²	34	79.5 Å²	79.5	16%	0.157	38%	0.383	C	S	.	.	H	α-helix	trans	-57.1	-52.7	173.7	164.7	81.7	0	0	0	112.2	C172 C175 D189 F190 F191 K195 I196 R197 H198	C172-H193 PolarHBondContact SG-NE2 3.46Å; C175-H193 PolarHBondContact SG-CE1 2.66Å; D189-H193 WeakPolarHBondContact O-CB 3.26Å; D189-H193 PolarHBondContact O-N 2.9Å; F190-H193 WeakPolarHBondContact O-CB 3.42Å; F190-H193 PolarHBondContact O-N 3.03Å; F191-H193 VanDerWaalsContact C-N 3.31Å; H193-K195 VanDerWaalsContact C-N 3.32Å; H193-K195 PolarHBondContact O-N 3.37Å; H193-I196 PolarHBondContact O-N 3.31Å; H193-R197 WeakPolarHBondContact O-CB 3.34Å; H193-R197 PolarHBondContact O-N 2.87Å; H193-H198 AromaticContact CE1-NE2 3.9Å; H193-H198 AromaticContact NE2-CD2 3.56Å; H193-H198 AromaticContact NE2-NE2 3.41Å; H193-H198 PolarHBondContact NE2-NE2 2.8Å
194	L	85.4	Confident	79.3	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-56.7	-45.3	178.7	-79.8	-174.7	0	0	0	111.8	V156 C159 I174 F190 F191 I196 H198	V156-L194 HydrophobicContact CG2-CB 4.24Å; V156-L194 HydrophobicContact CG2-CD2 4.42Å; C159-L194 HydrophobicContact CB-CD1 3.97Å; I174-L194 HydrophobicContact CD1-CD2 4.03Å; F190-L194 HydrophobicContact CD1-CD1 4Å; F190-L194 HydrophobicContact CD1-CG 4.41Å; F190-L194 HydrophobicContact CD2-CG 4.39Å; F190-L194 HydrophobicContact CE1-CD1 3.3Å; F190-L194 HydrophobicContact CE1-CG 3.96Å; F190-L194 HydrophobicContact CE2-CD1 4.09Å; F190-L194 HydrophobicContact CE2-CD2 4.06Å; F190-L194 HydrophobicContact CE2-CG 3.88Å; F190-L194 HydrophobicContact CZ-CD1 3.37Å; F190-L194 HydrophobicContact CZ-CD2 3.96Å; F190-L194 HydrophobicContact CZ-CG 3.69Å; F190-L194 WeakPolarHBondContact O-CG 3.28Å; F190-L194 PolarHBondContact O-N 3.22Å; F191-L194 PolarHBondContact O-N 2.84Å; L194-I196 VanDerWaalsContact C-N 3.31Å; L194-I196 PolarHBondContact O-N 3.47Å; L194-H198 CarbonylContact O-C 3.52Å; L194-H198 WeakPolarHBondContact O-CA 3.26Å; L194-H198 WeakPolarHBondContact O-CB 3.32Å; L194-H198 PolarHBondContact O-N 3.33Å
195	K	81.2	Confident	77.9	Confident	110 Å²	110	80.6 Å²	80.6	48%	0.478	38%	0.382	S	S	.	.	H	α-helix	trans	-69.9	-20.4	-179.6	-71.5	177.1	-177.8	-179.5	0	114.7	F191 Q192 H193 T199	F191-K195 WeakPolarHBondContact O-CB 3.23Å; F191-K195 VanDerWaalsContact O-CG 3.31Å; F191-K195 WeakPolarHBondContact O-CG 3.3Å; F191-K195 PolarHBondContact O-N 2.74Å; Q192-K195 PolarHBondContact O-N 2.97Å; H193-K195 VanDerWaalsContact C-N 3.32Å; H193-K195 PolarHBondContact O-N 3.37Å; K195-T199 WeakPolarHBondContact O-CG2 3.5Å
196	I	81.1	Confident	76.5	Confident	103 Å²	103	76.7 Å²	76.7	53%	0.528	37%	0.372	S	S	.	.	H	α-helix	trans	-98.9	-42.2	-179.9	-66.7	173.8	0	0	0	111.1	Q192 H193 L194	Q192-I196 HydrophobicContact CG-CD1 3.63Å; Q192-I196 HydrophobicContact CG-CG1 4.39Å; Q192-I196 WeakPolarHBondContact O-CB 3.3Å; Q192-I196 VanDerWaalsContact O-CG1 3.29Å; Q192-I196 WeakPolarHBondContact O-CG1 3.4Å; Q192-I196 PolarHBondContact O-N 3.45Å; H193-I196 PolarHBondContact O-N 3.31Å; L194-I196 VanDerWaalsContact C-N 3.31Å; L194-I196 PolarHBondContact O-N 3.47Å
197	R	77.6	Confident	75.3	Confident	164 Å²	164	74 Å²	74	62%	0.619	37%	0.368	S	S	*	.	H	α-helix	trans	-97.4	-20.4	-169.6	-62.5	-60.1	-171.8	97.5	-0.9	113.9	H193	H193-R197 WeakPolarHBondContact O-CB 3.34Å; H193-R197 PolarHBondContact O-N 2.87Å
198	H	79.4	Confident	74.3	Confident	13 Å²	13	76.3 Å²	76.3	6%	0.06	38%	0.376	C	S	.	.	S	Bend	trans	-126.4	24.1	-173.8	-61.6	-63.1	0	0	0	113	Q152 I174 C175 H193 L194 F200	Q152-H198 HydrophobicContact CG-CB 4.36Å; Q152-H198 VanDerWaalsContact NE2-C 3.32Å; Q152-H198 PolarHBondContact NE2-O 3.36Å; I174-H198 HydrophobicContact CD1-CB 3.94Å; I174-H198 WeakPolarHBondContact CG2-CE1 3.33Å; I174-H198 WeakPolarHBondContact CG2-ND1 3.42Å; C175-H198 PolarHBondContact SG-NE2 2.81Å; H193-H198 AromaticContact CE1-NE2 3.9Å; H193-H198 AromaticContact NE2-CD2 3.56Å; H193-H198 AromaticContact NE2-NE2 3.41Å; H193-H198 PolarHBondContact NE2-NE2 2.8Å; L194-H198 CarbonylContact O-C 3.52Å; L194-H198 WeakPolarHBondContact O-CA 3.26Å; L194-H198 WeakPolarHBondContact O-CB 3.32Å; L194-H198 PolarHBondContact O-N 3.33Å; H198-F200 PolarHBondContact O-N 2.9Å
199	T	70.6	Confident	73.5	Confident	99 Å²	99	75 Å²	75	61%	0.607	38%	0.378	S	S	*	.	S	Bend	trans	-73.9	-6.6	163.1	40.5	0	0	0	0	113.4	K195	K195-T199 WeakPolarHBondContact O-CG2 3.5Å
200	F	65.5	Low	72.7	Confident	107 Å²	107	73.9 Å²	73.9	47%	0.469	37%	0.373	S	S	.	.	S	Bend	trans	-136.9	136.1	-179.1	-170.4	-103.6	0	0	0	109.7	Q152 H198 F205	Q152-F200 PolarHBondContact NE2-O 3.13Å; H198-F200 PolarHBondContact O-N 2.9Å; F200-F205 HydrophobicContact CD1-CD2 4.41Å; F200-F205 AromaticContact CE1-CD2 3.3Å; F200-F205 HydrophobicContact CE1-CD2 3.3Å; F200-F205 AromaticContact CE1-CE2 3.57Å; F200-F205 HydrophobicContact CE1-CE2 3.57Å; F200-F205 HydrophobicContact CE1-CG 4.1Å; F200-F205 HydrophobicContact CE1-CZ 4.49Å; F200-F205 HydrophobicContact CE2-CD2 4.15Å; F200-F205 AromaticContact CE2-CE2 3.5Å; F200-F205 HydrophobicContact CE2-CE2 3.5Å; F200-F205 AromaticContact CE2-CZ 3.99Å; F200-F205 HydrophobicContact CE2-CZ 3.99Å; F200-F205 HydrophobicContact CZ-CD1 4.47Å; F200-F205 AromaticContact CZ-CD2 3.17Å; F200-F205 HydrophobicContact CZ-CD2 3.17Å; F200-F205 HydrophobicContact CZ-CE1 4.27Å; F200-F205 AromaticContact CZ-CE2 2.92Å; F200-F205 HydrophobicContact CZ-CE2 2.92Å; F200-F205 AromaticContact CZ-CG 3.98Å; F200-F205 HydrophobicContact CZ-CG 3.98Å; F200-F205 AromaticContact CZ-CZ 3.54Å; F200-F205 HydrophobicContact CZ-CZ 3.54Å
201	S	64.4	Low	72.1	Confident	41 Å²	41	77.7 Å²	77.7	29%	0.287	39%	0.394	S	S	.	.			trans	-86.3	115.8	177.1	172.3	0	0	0	0	109.8
202	Y	60.8	Low	71.5	Confident	126 Å²	126	83.6 Å²	83.6	49%	0.494	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-71.6	-29.6	177.2	-81.9	-98.6	0	0	0	112.5	T204 F205 V206 Y208	Y202-T204 PolarHBondContact O-N 2.93Å; Y202-T204 VanDerWaalsContact O-N 3.12Å; Y202-F205 PolarHBondContact O-N 3.01Å; Y202-V206 HydrophobicContact CD1-CG2 4.37Å; Y202-V206 PolarHBondContact O-N 3.24Å; Y202-Y208 WeakPolarHBondContact CB-OH 3.33Å
203	D	60.7	Low	71.2	Confident	48 Å²	48	81.4 Å²	81.4	26%	0.257	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-60.7	-20.5	177.3	-64.1	-87.6	0	0	0	113.5	F205 Y208	D203-F205 VanDerWaalsContact C-N 3.28Å; D203-F205 PolarHBondContact O-N 3.45Å; D203-Y208 HydrophobicContact CB-CE2 4.43Å; D203-Y208 WeakPolarHBondContact OD1-CE2 3.45Å
204	T	61.1	Low	71	Confident	100 Å²	100	82.8 Å²	82.8	61%	0.613	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-73.9	-21.5	175.9	-55	0	0	0	0	112.3	Y202	Y202-T204 PolarHBondContact O-N 2.93Å; Y202-T204 VanDerWaalsContact O-N 3.12Å
205	F	60	Low	70.7	Confident	135 Å²	135	86.4 Å²	86.4	59%	0.592	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.6	-13.3	-169.6	-62	-85.4	0	0	0	114.1	F200 Y202 D203	F200-F205 HydrophobicContact CD1-CD2 4.41Å; F200-F205 AromaticContact CE1-CD2 3.3Å; F200-F205 HydrophobicContact CE1-CD2 3.3Å; F200-F205 AromaticContact CE1-CE2 3.57Å; F200-F205 HydrophobicContact CE1-CE2 3.57Å; F200-F205 HydrophobicContact CE1-CG 4.1Å; F200-F205 HydrophobicContact CE1-CZ 4.49Å; F200-F205 HydrophobicContact CE2-CD2 4.15Å; F200-F205 AromaticContact CE2-CE2 3.5Å; F200-F205 HydrophobicContact CE2-CE2 3.5Å; F200-F205 AromaticContact CE2-CZ 3.99Å; F200-F205 HydrophobicContact CE2-CZ 3.99Å; F200-F205 HydrophobicContact CZ-CD1 4.47Å; F200-F205 AromaticContact CZ-CD2 3.17Å; F200-F205 HydrophobicContact CZ-CD2 3.17Å; F200-F205 HydrophobicContact CZ-CE1 4.27Å; F200-F205 AromaticContact CZ-CE2 2.92Å; F200-F205 HydrophobicContact CZ-CE2 2.92Å; F200-F205 AromaticContact CZ-CG 3.98Å; F200-F205 HydrophobicContact CZ-CG 3.98Å; F200-F205 AromaticContact CZ-CZ 3.54Å; F200-F205 HydrophobicContact CZ-CZ 3.54Å; Y202-F205 PolarHBondContact O-N 3.01Å; D203-F205 VanDerWaalsContact C-N 3.28Å; D203-F205 PolarHBondContact O-N 3.45Å
206	V	62.1	Low	70.8	Confident	48 Å²	48	85.4 Å²	85.4	29%	0.291	45%	0.451	S	S	.	.			trans	-125.7	111.4	-178.4	-174.8	0	0	0	0	108.9	Y202 Y208	Y202-V206 HydrophobicContact CD1-CG2 4.37Å; Y202-V206 PolarHBondContact O-N 3.24Å; V206-Y208 HydrophobicContact CB-CD1 4.48Å; V206-Y208 HydrophobicContact CB-CE1 3.99Å; V206-Y208 HydrophobicContact CB-CE2 4.43Å; V206-Y208 HydrophobicContact CG1-CD1 3.73Å; V206-Y208 HydrophobicContact CG1-CE1 3.61Å; V206-Y208 HydrophobicContact CG1-CG 4.32Å; V206-Y208 WeakPolarHBondContact O-CD2 3.42Å; V206-Y208 WeakPolarHBondContact O-CE2 3.17Å; V206-Y208 PolarHBondContact O-N 3.18Å
207	D	65.8	Low	71	Confident	87 Å²	87	87 Å²	87	47%	0.465	46%	0.456	S	S	.	.			trans	-81.8	99.5	166.2	-179.5	5.8	0	0	0	109.3	A209 T210	D207-A209 PolarHBondContact O-N 3.4Å; D207-A209 WeakPolarHBondContact OD1-CB 3.35Å; D207-A209 PolarHBondContact OD1-N 2.92Å; D207-T210 PolarHBondContact O-N 3.27Å; D207-T210 PolarHBondContact OD2-OG1 3.12Å
208	Y	64.8	Low	71.4	Confident	54 Å²	54	83 Å²	83	21%	0.212	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-8	179.9	-51.2	-81.8	0	0	0	114.3	R137 M178 W180 Y202 D203 V206	R137-Y208 VanDerWaalsContact NH1-CB 3.29Å; M178-Y208 HydrophobicContact CE-CE1 3.79Å; M178-Y208 WeakPolarHBondContact CE-OH 2.9Å; W180-Y208 AromaticContact CH2-CD1 3.99Å; W180-Y208 HydrophobicContact CH2-CD1 3.99Å; W180-Y208 AromaticContact CH2-CE1 3.56Å; W180-Y208 HydrophobicContact CH2-CE1 3.56Å; W180-Y208 HydrophobicContact CZ2-CE1 4.34Å; W180-Y208 HydrophobicContact CZ3-CD1 4.25Å; W180-Y208 HydrophobicContact CZ3-CE1 4.27Å; Y202-Y208 WeakPolarHBondContact CB-OH 3.33Å; D203-Y208 HydrophobicContact CB-CE2 4.43Å; D203-Y208 WeakPolarHBondContact OD1-CE2 3.45Å; V206-Y208 HydrophobicContact CB-CD1 4.48Å; V206-Y208 HydrophobicContact CB-CE1 3.99Å; V206-Y208 HydrophobicContact CB-CE2 4.43Å; V206-Y208 HydrophobicContact CG1-CD1 3.73Å; V206-Y208 HydrophobicContact CG1-CE1 3.61Å; V206-Y208 HydrophobicContact CG1-CG 4.32Å; V206-Y208 WeakPolarHBondContact O-CD2 3.42Å; V206-Y208 WeakPolarHBondContact O-CE2 3.17Å; V206-Y208 PolarHBondContact O-N 3.18Å
209	A	66.3	Low	71.6	Confident	93 Å²	93	85.3 Å²	85.3	77%	0.769	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-17.3	175.5	0	0	0	0	0	112.5	D207	D207-A209 PolarHBondContact O-N 3.4Å; D207-A209 WeakPolarHBondContact OD1-CB 3.35Å; D207-A209 PolarHBondContact OD1-N 2.92Å
210	T	70.1	Confident	72.5	Confident	44 Å²	44	85.8 Å²	85.8	27%	0.27	46%	0.464	S	S	.	.	S	Bend	trans	-84.6	133.8	178.9	-64.6	0	0	0	0	109.9	D207 T214 M215	D207-T210 PolarHBondContact O-N 3.27Å; D207-T210 PolarHBondContact OD2-OG1 3.12Å; T210-T214 HydrophobicContact CG2-CG2 3.72Å; T210-M215 HydrophobicContact CG2-CG 3.55Å
211	D	75.1	Confident	73.5	Confident	86 Å²	86	86 Å²	86	46%	0.46	47%	0.466	S	S	.	.			trans	-69.2	148.5	177.1	68.8	99.9	0	0	0	111.5	A213 T214 M215	D211-A213 PolarHBondContact O-N 3.18Å; D211-A213 WeakPolarHBondContact OD1-CB 3.16Å; D211-A213 PolarHBondContact OD1-N 3.38Å; D211-T214 PolarHBondContact O-N 2.95Å; D211-T214 VanDerWaalsContact O-N 3.09Å; D211-T214 PolarHBondContact OD1-N 3.44Å; D211-T214 PolarHBondContact OD1-OG1 3.33Å; D211-T214 VanDerWaalsContact OD1-OG1 3.1Å; D211-T214 WeakPolarHBondContact OD2-CB 3.38Å; D211-T214 PolarHBondContact OD2-OG1 3.29Å; D211-M215 PolarHBondContact O-N 3.04Å
212	E	74.1	Confident	74.4	Confident	152 Å²	152	91.8 Å²	91.8	71%	0.71	48%	0.482	S	S	*	.	H	α-helix	trans	-55.8	-37.9	-176.9	-176.6	-179.1	-166.7	0	0	112.3	M215 I216	E212-M215 PolarHBondContact O-N 3.43Å; E212-I216 HydrophobicContact CG-CD1 3.83Å; E212-I216 HydrophobicContact CG-CG1 4.48Å; E212-I216 WeakPolarHBondContact O-CB 3.39Å; E212-I216 VanDerWaalsContact O-CG1 3.23Å; E212-I216 WeakPolarHBondContact O-CG1 3.4Å; E212-I216 PolarHBondContact O-N 2.91Å
213	A	80.9	Confident	75.6	Confident	66 Å²	66	90.3 Å²	90.3	55%	0.545	49%	0.49	S	S	.	.	H	α-helix	trans	-67.1	-40.7	-180	0	0	0	0	0	111.5	D211 I216 Q217	D211-A213 PolarHBondContact O-N 3.18Å; D211-A213 WeakPolarHBondContact OD1-CB 3.16Å; D211-A213 PolarHBondContact OD1-N 3.38Å; A213-I216 PolarHBondContact O-N 3.22Å; A213-Q217 WeakPolarHBondContact O-CB 3.34Å; A213-Q217 PolarHBondContact O-N 2.8Å
214	T	83.4	Confident	76.9	Confident	63 Å²	63	94.4 Å²	94.4	39%	0.387	51%	0.511	S	S	.	.	H	α-helix	trans	-65.9	-43.1	174.2	-63.6	0	0	0	0	111.9	T210 D211 I216 Q217 E218	T210-T214 HydrophobicContact CG2-CG2 3.72Å; D211-T214 PolarHBondContact O-N 2.95Å; D211-T214 VanDerWaalsContact O-N 3.09Å; D211-T214 PolarHBondContact OD1-N 3.44Å; D211-T214 PolarHBondContact OD1-OG1 3.33Å; D211-T214 VanDerWaalsContact OD1-OG1 3.1Å; D211-T214 WeakPolarHBondContact OD2-CB 3.38Å; D211-T214 PolarHBondContact OD2-OG1 3.29Å; T214-I216 VanDerWaalsContact C-N 3.34Å; T214-I216 PolarHBondContact O-N 3.48Å; T214-Q217 PolarHBondContact O-N 3.42Å; T214-E218 WeakPolarHBondContact O-CB 3.39Å; T214-E218 PolarHBondContact O-N 3.04Å
215	M	79.7	Confident	77.8	Confident	75 Å²	75	96.5 Å²	96.5	37%	0.369	52%	0.516	S	S	.	.	H	α-helix	trans	-59.9	-44.1	175.7	-65.7	-170.3	76.2	0	0	111.9	T210 D211 E212 E218 A219	T210-M215 HydrophobicContact CG2-CG 3.55Å; D211-M215 PolarHBondContact O-N 3.04Å; E212-M215 PolarHBondContact O-N 3.43Å; M215-E218 PolarHBondContact O-N 3.16Å; M215-A219 WeakPolarHBondContact O-CB 3.49Å; M215-A219 PolarHBondContact O-N 3.31Å
216	I	83.7	Confident	78.4	Confident	90 Å²	90	97.4 Å²	97.4	46%	0.462	53%	0.526	S	S	.	.	H	α-helix	trans	-64.7	-44.8	178	-69.4	167.6	0	0	0	110.7	E212 A213 T214 E218 A219 L220	E212-I216 HydrophobicContact CG-CD1 3.83Å; E212-I216 HydrophobicContact CG-CG1 4.48Å; E212-I216 WeakPolarHBondContact O-CB 3.39Å; E212-I216 VanDerWaalsContact O-CG1 3.23Å; E212-I216 WeakPolarHBondContact O-CG1 3.4Å; E212-I216 PolarHBondContact O-N 2.91Å; A213-I216 PolarHBondContact O-N 3.22Å; T214-I216 VanDerWaalsContact C-N 3.34Å; T214-I216 PolarHBondContact O-N 3.48Å; I216-E218 VanDerWaalsContact C-N 3.32Å; I216-E218 PolarHBondContact O-N 3.37Å; I216-A219 PolarHBondContact O-N 3.17Å; I216-L220 HydrophobicContact CG2-CD1 3.99Å; I216-L220 HydrophobicContact CG2-CG 4.44Å; I216-L220 WeakPolarHBondContact O-CB 3.44Å; I216-L220 VanDerWaalsContact O-CG 3.27Å; I216-L220 WeakPolarHBondContact O-CG 3.2Å; I216-L220 PolarHBondContact O-N 3.47Å
217	Q	86	Confident	77.8	Confident	135 Å²	135	107.4 Å²	107.4	63%	0.631	57%	0.566	S	S	*	*	H	α-helix	trans	-62	-41.7	179.1	-173.7	174.3	-60.8	0	0	111.6	A213 T214 L220 Q221	A213-Q217 WeakPolarHBondContact O-CB 3.34Å; A213-Q217 PolarHBondContact O-N 2.8Å; T214-Q217 PolarHBondContact O-N 3.42Å; Q217-L220 PolarHBondContact O-N 3.21Å; Q217-Q221 WeakPolarHBondContact O-CB 3.25Å; Q217-Q221 PolarHBondContact O-N 3.18Å
218	E	84.1	Confident	78.4	Confident	82 Å²	82	108.5 Å²	108.5	38%	0.383	57%	0.571	S	S	.	*	H	α-helix	trans	-68.5	-40.9	178.6	-163.9	-179.2	173.2	0	0	112.1	T214 M215 I216 L220 Q221 R222	T214-E218 WeakPolarHBondContact O-CB 3.39Å; T214-E218 PolarHBondContact O-N 3.04Å; M215-E218 PolarHBondContact O-N 3.16Å; I216-E218 VanDerWaalsContact C-N 3.32Å; I216-E218 PolarHBondContact O-N 3.37Å; E218-L220 VanDerWaalsContact C-N 3.35Å; E218-L220 PolarHBondContact O-N 2.86Å; E218-Q221 PolarHBondContact O-N 3.15Å; E218-R222 WeakPolarHBondContact O-CB 3.43Å; E218-R222 VanDerWaalsContact O-CG 3.31Å; E218-R222 WeakPolarHBondContact O-CG 3.44Å; E218-R222 PolarHBondContact O-N 3.14Å; E218-R222 IonicContact OE1-CZ 2.93Å; E218-R222 IonicContact OE1-NE 3.51Å; E218-R222 PolarHBondContact OE1-NE 3.07Å; E218-R222 IonicContact OE1-NH2 3.23Å; E218-R222 PolarHBondContact OE1-NH2 2.73Å
219	A	84.7	Confident	79.2	Confident	60 Å²	60	111.3 Å²	111.3	50%	0.496	59%	0.59	S	S	.	*	H	α-helix	trans	-60.8	-43.7	174.4	0	0	0	0	0	111.9	M215 I216 R222 S223	M215-A219 WeakPolarHBondContact O-CB 3.49Å; M215-A219 PolarHBondContact O-N 3.31Å; I216-A219 PolarHBondContact O-N 3.17Å; A219-R222 PolarHBondContact O-N 3.3Å; A219-S223 WeakPolarHBondContact O-CB 3.29Å; A219-S223 PolarHBondContact O-N 3.11Å
220	L	88.6	Confident	79.9	Confident	110 Å²	110	112.3 Å²	112.3	58%	0.576	58%	0.58	S	S	*	*	H	α-helix	trans	-61.3	-44.3	174.3	-71.3	171.3	0	0	0	111.2	I216 Q217 E218 S223 L224	I216-L220 HydrophobicContact CG2-CD1 3.99Å; I216-L220 HydrophobicContact CG2-CG 4.44Å; I216-L220 WeakPolarHBondContact O-CB 3.44Å; I216-L220 VanDerWaalsContact O-CG 3.27Å; I216-L220 WeakPolarHBondContact O-CG 3.2Å; I216-L220 PolarHBondContact O-N 3.47Å; Q217-L220 PolarHBondContact O-N 3.21Å; E218-L220 VanDerWaalsContact C-N 3.35Å; E218-L220 PolarHBondContact O-N 2.86Å; L220-S223 PolarHBondContact O-N 2.82Å; L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.39Å; L220-L224 PolarHBondContact O-N 2.99Å; L220-L224 VanDerWaalsContact O-N 3.1Å
221	Q	87.6	Confident	80.5	Confident	110 Å²	110	116.4 Å²	116.4	51%	0.514	60%	0.598	S	S	.	*	H	α-helix	trans	-63.4	-43.5	178.9	-172.7	175.8	-19.1	0	0	112	Q217 E218 L224 M225	Q217-Q221 WeakPolarHBondContact O-CB 3.25Å; Q217-Q221 PolarHBondContact O-N 3.18Å; E218-Q221 PolarHBondContact O-N 3.15Å; Q221-L224 PolarHBondContact O-N 2.95Å; Q221-M225 HydrophobicContact CG-SD 4.48Å; Q221-M225 WeakPolarHBondContact O-CG 3.48Å; Q221-M225 PolarHBondContact O-N 3.19Å
222	R	83.9	Confident	80.8	Confident	164 Å²	164	118.3 Å²	118.3	62%	0.619	61%	0.607	S	S	*	*	H	α-helix	trans	-62.9	-41.8	176.2	-70.5	173.2	-177.8	-148	5.7	111.6	E218 A219 L224 M225 D226	E218-R222 WeakPolarHBondContact O-CB 3.43Å; E218-R222 VanDerWaalsContact O-CG 3.31Å; E218-R222 WeakPolarHBondContact O-CG 3.44Å; E218-R222 PolarHBondContact O-N 3.14Å; E218-R222 IonicContact OE1-CZ 2.93Å; E218-R222 IonicContact OE1-NE 3.51Å; E218-R222 PolarHBondContact OE1-NE 3.07Å; E218-R222 IonicContact OE1-NH2 3.23Å; E218-R222 PolarHBondContact OE1-NH2 2.73Å; A219-R222 PolarHBondContact O-N 3.3Å; R222-L224 PolarHBondContact O-N 2.85Å; R222-M225 PolarHBondContact O-N 3.42Å; R222-M225 VanDerWaalsContact O-N 3.14Å; R222-D226 PolarHBondContact O-N 3.37Å
223	S	84.8	Confident	81.2	Confident	95 Å²	95	116 Å²	116	66%	0.664	60%	0.6	S	S	*	*	H	α-helix	trans	-63	-27.7	175.1	-175.3	0	0	0	0	113.4	A219 L220	A219-S223 WeakPolarHBondContact O-CB 3.29Å; A219-S223 PolarHBondContact O-N 3.11Å; L220-S223 PolarHBondContact O-N 2.82Å
224	L	87.3	Confident	81.3	Confident	134 Å²	134	119.6 Å²	119.6	70%	0.702	60%	0.604	S	S	*	*	H	α-helix	trans	-81	-21.9	177.3	-70.2	169.5	0	0	0	113	L220 Q221 R222	L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.39Å; L220-L224 PolarHBondContact O-N 2.99Å; L220-L224 VanDerWaalsContact O-N 3.1Å; Q221-L224 PolarHBondContact O-N 2.95Å; R222-L224 PolarHBondContact O-N 2.85Å
225	M	81.4	Confident	81.1	Confident	144 Å²	144	123.9 Å²	123.9	71%	0.709	62%	0.621	S	S	*	*	H	α-helix	trans	-85.9	-21.7	-179.6	-69.5	-176.7	70.7	0	0	113.2	Q221 R222 K227	Q221-M225 HydrophobicContact CG-SD 4.48Å; Q221-M225 WeakPolarHBondContact O-CG 3.48Å; Q221-M225 PolarHBondContact O-N 3.19Å; R222-M225 PolarHBondContact O-N 3.42Å; R222-M225 VanDerWaalsContact O-N 3.14Å; M225-K227 PolarHBondContact O-N 2.83Å
226	D	71.9	Confident	81.2	Confident	153 Å²	153	128 Å²	128	82%	0.818	64%	0.642	S	S	*	*			trans	-82.2	48.7	-176.7	-133	16.6	0	0	0	112.9	R222	R222-D226 PolarHBondContact O-N 3.37Å
227	K	50.5	Low	81	Confident	259 Å²	259	131.5 Å²	131.5	100%	1.126	66%	0.658	S	S	*	*			trans	-76.9	0	177.3	-86.3	-173	177.4	177.7	0	113.7	M225	M225-K227 PolarHBondContact O-N 2.83Å

Retrieved 227 of 227 residues in 128.1 ms (Link to these results)

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