A0A077Z3V4_TRITR Loading...

Adh short domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3V4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 272 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	39.3	Very low	58.3	Low	243 Å²	243	126.3 Å²	126.3	100%	1.197	73%	0.726	S	S	*	*				0	119.3	0	-75.9	169.9	-178.7	0	0	107.1	S3	M1-S3 PolarHBondContact O-N 2.84Å
2	K	40.2	Very low	59.2	Low	205 Å²	205	125.6 Å²	125.6	89%	0.891	72%	0.716	S	S	*	*			trans	-62.6	125.8	169.9	-76.8	-176.5	176.1	-179	0	106.7	C4	K2-C4 PolarHBondContact O-N 3.29Å; K2-C4 VanDerWaalsContact O-N 3.07Å
3	S	47.8	Very low	60.2	Low	110 Å²	110	125.5 Å²	125.5	77%	0.769	72%	0.72	S	S	*	*			trans	-53.2	118.1	172.2	50.7	0	0	0	0	107.2	M1 D5	M1-S3 PolarHBondContact O-N 2.84Å; S3-D5 VanDerWaalsContact C-N 3.29Å; S3-D5 PolarHBondContact O-N 2.94Å
4	C	51.5	Low	60.6	Low	124 Å²	124	121.1 Å²	121.1	84%	0.838	70%	0.698	S	S	*	*			trans	-60.9	104.1	165.6	-67.4	0	0	0	0	105.3	K2 A6	K2-C4 PolarHBondContact O-N 3.29Å; K2-C4 VanDerWaalsContact O-N 3.07Å; C4-A6 PolarHBondContact O-N 2.81Å
5	D	54.9	Low	61.2	Low	151 Å²	151	118 Å²	118	81%	0.807	68%	0.682	S	S	*	*			trans	-52	114.5	169.5	-147.1	1.2	0	0	0	105.2	S3 G7	S3-D5 VanDerWaalsContact C-N 3.29Å; S3-D5 PolarHBondContact O-N 2.94Å; D5-G7 PolarHBondContact O-N 2.83Å
6	A	56.8	Low	62.2	Low	92 Å²	92	116.5 Å²	116.5	76%	0.76	67%	0.671	S	S	*	*			trans	-65.1	95.5	-179.1	0	0	0	0	0	105	C4	C4-A6 PolarHBondContact O-N 2.81Å
7	G	62.8	Low	62.7	Low	55 Å²	55	114.3 Å²	114.3	57%	0.567	66%	0.662	S	S	*	*			trans	-44.1	143.3	-160.6	0	0	0	0	0	113.1	D5 K9	D5-G7 PolarHBondContact O-N 2.83Å; G7-K9 PolarHBondContact O-N 3.33Å; G7-K9 VanDerWaalsContact O-N 3.1Å
8	T	72.7	Confident	63.6	Low	121 Å²	121	114.1 Å²	114.1	74%	0.742	66%	0.658	S	S	*	*			trans	-36.6	116.2	-175.3	-52.5	0	0	0	0	111.7	I10	T8-I10 HydrophobicContact CG2-CG1 4.37Å; T8-I10 PolarHBondContact O-N 2.79Å
9	K	72.3	Confident	64.6	Low	98 Å²	98	113.8 Å²	113.8	43%	0.426	65%	0.646	S	S	.	*			trans	-69	126.4	173.3	-69.8	-70.9	-162.1	166.7	0	108.5	G7 N244 A245 D246	G7-K9 PolarHBondContact O-N 3.33Å; G7-K9 VanDerWaalsContact O-N 3.1Å; K9-N244 WeakPolarHBondContact CE-O 3.44Å; K9-N244 PolarHBondContact NZ-O 3.14Å; K9-A245 CarbonylContact C-O 3.57Å; K9-A245 WeakPolarHBondContact CA-O 3.43Å; K9-A245 WeakPolarHBondContact CD-O 3.2Å; K9-D246 PolarHBondContact NZ-O 3.22Å
10	I	70.4	Confident	65.6	Low	116 Å²	116	111.7 Å²	111.7	60%	0.595	63%	0.629	S	S	*	*			trans	-120.2	103.2	178.6	-57.3	175.5	0	0	0	107.5	T8 I12 A245	T8-I10 HydrophobicContact CG2-CG1 4.37Å; T8-I10 PolarHBondContact O-N 2.79Å; I10-I12 PolarHBondContact O-N 2.91Å; I10-A245 PolarHBondContact N-O 2.9Å
11	D	72.8	Confident	66.6	Low	74 Å²	74	108.5 Å²	108.5	40%	0.396	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-82.8	116.9	175.4	-69.1	-24.3	0	0	0	109.8	T13 S247	D11-T13 PolarHBondContact O-N 3.4Å; D11-S247 WeakPolarHBondContact OD1-CB 3.38Å; D11-S247 PolarHBondContact OD1-N 3.1Å; D11-S247 PolarHBondContact OD1-OG 3.03Å; D11-S247 WeakPolarHBondContact OD2-CB 3.13Å; D11-S247 PolarHBondContact OD2-OG 3.45Å
12	I	68.7	Low	68.9	Low	118 Å²	118	100.6 Å²	100.6	61%	0.605	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-78.2	123.7	174.6	-58.2	174.7	0	0	0	107.9	I10 R250	I10-I12 PolarHBondContact O-N 2.91Å; I12-R250 PolarHBondContact O-NH2 3.25Å
13	T	72.3	Confident	71.3	Confident	124 Å²	124	96.3 Å²	96.3	76%	0.761	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-69.5	126.9	172.9	-60.4	0	0	0	0	108.5	D11	D11-T13 PolarHBondContact O-N 3.4Å
14	P	66.4	Low	73.3	Confident	65 Å²	65	93.4 Å²	93.4	42%	0.422	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-55.3	144.2	176.3	-21.7	30.7	0	0	0	111.3	L254	P14-L254 HydrophobicContact CB-CD1 3.69Å; P14-L254 HydrophobicContact CB-CD2 3.67Å; P14-L254 HydrophobicContact CB-CG 4.33Å; P14-L254 HydrophobicContact CG-CD2 3.53Å
15	T	69.5	Low	75.3	Confident	74 Å²	74	87.7 Å²	87.7	45%	0.454	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-60.7	145.9	165.5	16.6	0	0	0	0	109.6
16	N	77.1	Confident	77.1	Confident	94 Å²	94	85 Å²	85	50%	0.503	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-54.1	125	176.7	179.4	-9.6	0	0	0	109.2	D18 Y19	N16-D18 PolarHBondContact O-N 3.46Å; N16-D18 VanDerWaalsContact O-N 3.16Å; N16-D18 WeakPolarHBondContact OD1-CB 3.48Å; N16-D18 PolarHBondContact OD1-N 2.9Å; N16-Y19 VanDerWaalsContact O-CB 3.26Å; N16-Y19 WeakPolarHBondContact O-CB 2.82Å; N16-Y19 PolarHBondContact O-N 3.07Å
17	P	70.4	Confident	78.8	Confident	79 Å²	79	88.3 Å²	88.3	51%	0.513	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.4	178.7	24.9	-35.8	0	0	0	113	Y19	P17-Y19 VanDerWaalsContact C-N 3.33Å
18	D	78.5	Confident	80.4	Confident	111 Å²	111	89.4 Å²	89.4	59%	0.594	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-5.1	177.3	-61.1	-42.2	0	0	0	113.3	N16 F20	N16-D18 PolarHBondContact O-N 3.46Å; N16-D18 VanDerWaalsContact O-N 3.16Å; N16-D18 WeakPolarHBondContact OD1-CB 3.48Å; N16-D18 PolarHBondContact OD1-N 2.9Å; D18-F20 WeakPolarHBondContact O-CD1 3.25Å; D18-F20 PolarHBondContact O-N 3.35Å
19	Y	82.3	Confident	81.5	Confident	109 Å²	109	83.7 Å²	83.7	43%	0.427	44%	0.438	S	S	.	.			trans	-69.5	114.9	177.5	175.8	-100.6	0	0	0	110.7	N16 P17 R46	N16-Y19 VanDerWaalsContact O-CB 3.26Å; N16-Y19 WeakPolarHBondContact O-CB 2.82Å; N16-Y19 PolarHBondContact O-N 3.07Å; P17-Y19 VanDerWaalsContact C-N 3.33Å; Y19-R46 PolarHBondContact O-NH1 2.92Å; Y19-R46 PolarHBondContact O-NH2 3.37Å
20	F	85.6	Confident	82.8	Confident	70 Å²	70	79 Å²	79	31%	0.307	42%	0.418	S	S	.	.			trans	-142.8	165.5	167.7	74.6	-70.5	0	0	0	112.1	D18 P22 R46 K49 E50	D18-F20 WeakPolarHBondContact O-CD1 3.25Å; D18-F20 PolarHBondContact O-N 3.35Å; F20-P22 HydrophobicContact CD2-CG 4.2Å; F20-P22 HydrophobicContact CE2-CB 4.02Å; F20-P22 HydrophobicContact CE2-CG 3.65Å; F20-P22 HydrophobicContact CZ-CG 3.99Å; F20-P22 WeakPolarHBondContact O-CD 3.17Å; F20-R46 VanDerWaalsContact CA-NH2 3.28Å; F20-K49 HydrophobicContact CD1-CD 4.34Å; F20-K49 VanDerWaalsContact CD1-CE 3.44Å; F20-K49 HydrophobicContact CD2-CD 4.37Å; F20-K49 HydrophobicContact CD2-CG 4.02Å; F20-K49 HydrophobicContact CE2-CG 4.23Å; F20-K49 HydrophobicContact CG-CD 4.16Å; F20-K49 HydrophobicContact CG-CG 4.31Å; F20-E50 HydrophobicContact CB-CG 4.29Å; F20-E50 HydrophobicContact CD2-CG 4.21Å
21	V	87.3	Confident	84.1	Confident	46 Å²	46	73.5 Å²	73.5	28%	0.279	39%	0.39	S	S	.	.			trans	-107.9	102.4	175.1	-177.8	0	0	0	0	108.2	R24 E50	V21-R24 HydrophobicContact CB-CB 4.43Å; V21-R24 HydrophobicContact CG1-CB 4.24Å; V21-E50 PolarHBondContact N-OE1 2.92Å; V21-E50 WeakPolarHBondContact O-CB 3.36Å; V21-E50 VanDerWaalsContact O-CG 3.23Å; V21-E50 WeakPolarHBondContact O-CG 3.38Å
22	P	87.7	Confident	85.3	Confident	77 Å²	77	70 Å²	70	50%	0.5	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	144.9	179.5	-22.4	31.4	0	0	0	111.9	F20 R24	F20-P22 HydrophobicContact CD2-CG 4.2Å; F20-P22 HydrophobicContact CE2-CB 4.02Å; F20-P22 HydrophobicContact CE2-CG 3.65Å; F20-P22 HydrophobicContact CZ-CG 3.99Å; F20-P22 WeakPolarHBondContact O-CD 3.17Å; P22-R24 PolarHBondContact O-N 3.4Å
23	N	89.9	Confident	86.7	Confident	115 Å²	115	64.5 Å²	64.5	62%	0.615	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	16.9	172.5	-48.5	-28.5	0	0	0	115.3	F25 D26 E50	N23-F25 PolarHBondContact O-N 2.99Å; N23-D26 HydrophobicContact CB-CB 4.2Å; N23-D26 PolarHBondContact O-N 3.42Å; N23-E50 CarbonylContact C-O 3.51Å; N23-E50 WeakPolarHBondContact CA-O 3.35Å; N23-E50 PolarHBondContact N-O 3.39Å
24	R	89.8	Confident	87.8	Confident	48 Å²	48	59.1 Å²	59.1	18%	0.181	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-35.5	177.3	178.5	-175.3	-74.6	161.7	-18.5	111.9	V21 P22 E50 A265 L269	V21-R24 HydrophobicContact CB-CB 4.43Å; V21-R24 HydrophobicContact CG1-CB 4.24Å; P22-R24 PolarHBondContact O-N 3.4Å; R24-E50 HydrophobicContact CB-CB 4.23Å; R24-E50 WeakPolarHBondContact CD-OE2 3.34Å; R24-E50 IonicContact CZ-OE1 3.11Å; R24-E50 IonicContact CZ-OE2 3.19Å; R24-E50 PolarHBondContact N-O 2.89Å; R24-E50 VanDerWaalsContact N-O 3.11Å; R24-E50 IonicContact NE-OE2 3.19Å; R24-E50 IonicContact NH1-OE1 2.92Å; R24-E50 PolarHBondContact NH1-OE1 3.11Å; R24-E50 IonicContact NH1-OE2 2.8Å; R24-E50 PolarHBondContact NH1-OE2 3.32Å; R24-A265 VanDerWaalsContact NH1-CB 3.25Å; R24-L269 HydrophobicContact CG-CD2 4.35Å
25	F	92.9	Very high	89.1	Confident	5 Å²	5	56 Å²	56	2%	0.022	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	27.9	-176.8	-57.4	-58.6	0	0	0	111.9	N23 E27 K28 I30 A47 E50 G51 A52 Y108 A265 F268	N23-F25 PolarHBondContact O-N 2.99Å; F25-E27 PolarHBondContact O-N 3.47Å; F25-K28 HydrophobicContact CB-CB 4.17Å; F25-K28 WeakPolarHBondContact O-CB 3.5Å; F25-K28 PolarHBondContact O-N 3.4Å; F25-I30 HydrophobicContact CD1-CD1 4.04Å; F25-I30 HydrophobicContact CD2-CD1 4.19Å; F25-I30 HydrophobicContact CE1-CD1 4.28Å; F25-I30 HydrophobicContact CE2-CD1 4.42Å; F25-I30 HydrophobicContact CG-CD1 4Å; F25-I30 HydrophobicContact CZ-CD1 4.47Å; F25-A47 HydrophobicContact CD2-CB 4.47Å; F25-E50 HydrophobicContact CD2-CB 3.8Å; F25-E50 HydrophobicContact CE2-CB 4.29Å; F25-E50 VanDerWaalsContact CE2-OE2 3.28Å; F25-E50 WeakPolarHBondContact CE2-OE2 3.45Å; F25-E50 PolarHBondContact N-O 3.45Å; F25-G51 CarbonylContact O-C 3.54Å; F25-A52 HydrophobicContact CB-CB 3.69Å; F25-A52 HydrophobicContact CG-CB 4.42Å; F25-A52 WeakPolarHBondContact O-CA 3.26Å; F25-Y108 HydrophobicContact CD1-CD2 4.15Å; F25-Y108 AromaticContact CD1-CE2 3.81Å; F25-Y108 HydrophobicContact CD1-CE2 3.81Å; F25-Y108 HydrophobicContact CE1-CD2 4.44Å; F25-Y108 HydrophobicContact CE1-CE2 4.19Å; F25-A265 HydrophobicContact CZ-CB 4.16Å; F25-F268 HydrophobicContact CE1-CB 3.75Å; F25-F268 AromaticContact CE1-CD2 3.89Å; F25-F268 HydrophobicContact CE1-CD2 3.89Å; F25-F268 HydrophobicContact CE1-CG 4.27Å; F25-F268 HydrophobicContact CZ-CB 4.27Å; F25-F268 AromaticContact CZ-CD2 3.85Å; F25-F268 HydrophobicContact CZ-CD2 3.85Å
26	D	92.4	Very high	90.3	Very high	95 Å²	95	52.7 Å²	52.7	51%	0.508	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	131.8	178.4	-165.7	21.4	0	0	0	110.9	N23 K28	N23-D26 HydrophobicContact CB-CB 4.2Å; N23-D26 PolarHBondContact O-N 3.42Å; D26-K28 WeakPolarHBondContact O-CG 3.44Å; D26-K28 PolarHBondContact O-N 2.89Å
27	E	92.7	Very high	90.9	Very high	160 Å²	160	52.5 Å²	52.5	75%	0.748	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	12	-172.4	-52	-170.9	148.9	0	0	116	F25	F25-E27 PolarHBondContact O-N 3.47Å
28	K	95.9	Very high	91.7	Very high	78 Å²	78	50.5 Å²	50.5	34%	0.339	26%	0.261	S	S	.	.			trans	-94.7	139.8	178.8	-54.1	-56.2	-179.7	-170.1	0	111.4	F25 D26 A52 N53 D107 Y108	F25-K28 HydrophobicContact CB-CB 4.17Å; F25-K28 WeakPolarHBondContact O-CB 3.5Å; F25-K28 PolarHBondContact O-N 3.4Å; D26-K28 WeakPolarHBondContact O-CG 3.44Å; D26-K28 PolarHBondContact O-N 2.89Å; K28-A52 WeakPolarHBondContact O-CA 3.29Å; K28-N53 PolarHBondContact O-N 2.96Å; K28-D107 WeakPolarHBondContact CA-OD2 3.39Å; K28-D107 HydrophobicContact CB-CB 4.29Å; K28-D107 HydrophobicContact CD-CB 4.17Å; K28-Y108 HydrophobicContact CB-CD2 4.06Å; K28-Y108 HydrophobicContact CB-CE2 3.76Å; K28-Y108 HydrophobicContact CD-CE2 4.33Å; K28-Y108 HydrophobicContact CG-CE2 3.8Å
29	T	97.7	Very high	92.2	Very high	2 Å²	2	46 Å²	46	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.2	174.4	-57.6	0	0	0	0	111	N53 V55 F103 G105 D107 Y108	T29-N53 CarbonylContact C-O 3.54Å; T29-N53 VanDerWaalsContact CA-O 3.32Å; T29-N53 WeakPolarHBondContact CA-O 3.21Å; T29-N53 HydrophobicContact CG2-CB 4.39Å; T29-V55 HydrophobicContact CG2-CG2 4.2Å; T29-F103 HydrophobicContact CG2-CB 4Å; T29-F103 HydrophobicContact CG2-CD2 3.89Å; T29-F103 HydrophobicContact CG2-CG 4.33Å; T29-F103 VanDerWaalsContact OG1-CB 3.26Å; T29-F103 WeakPolarHBondContact OG1-CB 3.07Å; T29-G105 WeakPolarHBondContact CB-O 3.42Å; T29-G105 VanDerWaalsContact CG2-O 3.22Å; T29-G105 WeakPolarHBondContact CG2-O 3.26Å; T29-G105 PolarHBondContact OG1-O 3.39Å; T29-D107 PolarHBondContact N-OD2 3.15Å; T29-D107 PolarHBondContact O-N 3.03Å; T29-Y108 PolarHBondContact O-N 2.86Å
30	I	97.9	Very high	92.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	117.4	178.2	-44.5	-160.1	0	0	0	110.1	F25 I32 A47 A52 N53 V54 V55 Y108 F268	F25-I30 HydrophobicContact CD1-CD1 4.04Å; F25-I30 HydrophobicContact CD2-CD1 4.19Å; F25-I30 HydrophobicContact CE1-CD1 4.28Å; F25-I30 HydrophobicContact CE2-CD1 4.42Å; F25-I30 HydrophobicContact CG-CD1 4Å; F25-I30 HydrophobicContact CZ-CD1 4.47Å; I30-I32 HydrophobicContact CG2-CD1 4.25Å; I30-I32 HydrophobicContact CG2-CG1 3.87Å; I30-A47 HydrophobicContact CD1-CB 3.9Å; I30-A52 HydrophobicContact CD1-CB 4.13Å; I30-A52 HydrophobicContact CG1-CB 3.97Å; I30-N53 PolarHBondContact N-O 3.18Å; I30-V54 WeakPolarHBondContact O-CA 3.25Å; I30-V55 PolarHBondContact O-N 3.13Å; I30-Y108 CarbonylContact C-O 3.19Å; I30-Y108 VanDerWaalsContact CA-O 3.29Å; I30-Y108 WeakPolarHBondContact CA-O 3.22Å; I30-Y108 HydrophobicContact CD1-CD2 3.92Å; I30-Y108 HydrophobicContact CD1-CG 4.47Å; I30-Y108 HydrophobicContact CG1-CD2 3.93Å; I30-Y108 HydrophobicContact CG1-CG 4.44Å; I30-F268 HydrophobicContact CD1-CD2 4.24Å; I30-F268 HydrophobicContact CD1-CE2 4.04Å; I30-F268 HydrophobicContact CG2-CE2 4.25Å; I30-F268 HydrophobicContact CG2-CZ 4.23Å
31	L	98.6	Very high	92.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.1	170.3	175.7	60.1	0	0	0	110	V55 A57 M95 V96 I106 Y108 A109 L110 E146	L31-V55 HydrophobicContact CD1-CB 3.77Å; L31-V55 HydrophobicContact CD1-CG1 3.57Å; L31-A57 HydrophobicContact CD1-CB 4.18Å; L31-M95 HydrophobicContact CD1-CB 4.18Å; L31-M95 HydrophobicContact CD1-CG 4.41Å; L31-M95 HydrophobicContact CD1-SD 4.3Å; L31-M95 HydrophobicContact CD2-CE 3.92Å; L31-M95 HydrophobicContact CD2-CG 3.99Å; L31-M95 HydrophobicContact CD2-SD 3.93Å; L31-M95 HydrophobicContact CG-SD 4.46Å; L31-V96 HydrophobicContact CD2-CG2 3.9Å; L31-I106 HydrophobicContact CB-CD1 4.3Å; L31-I106 HydrophobicContact CB-CG2 4.26Å; L31-I106 HydrophobicContact CD2-CD1 3.94Å; L31-Y108 PolarHBondContact N-O 3.1Å; L31-A109 HydrophobicContact CB-CB 4.41Å; L31-A109 CarbonylContact O-C 3.38Å; L31-A109 VanDerWaalsContact O-CA 3.25Å; L31-A109 WeakPolarHBondContact O-CA 3.16Å; L31-L110 PolarHBondContact O-N 3.42Å; L31-E146 HydrophobicContact CD2-CG 4.17Å
32	I	98.1	Very high	93	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114.2	-177.4	-57.6	177.5	0	0	0	109.7	I30 V43 A44 V54 V55 I56 A57 L110	I30-I32 HydrophobicContact CG2-CD1 4.25Å; I30-I32 HydrophobicContact CG2-CG1 3.87Å; I32-V43 HydrophobicContact CD1-CB 4.47Å; I32-V43 HydrophobicContact CD1-CG1 4Å; I32-A44 HydrophobicContact CD1-CB 3.87Å; I32-V54 HydrophobicContact CD1-CG1 3.86Å; I32-V54 HydrophobicContact CG1-CG1 4.42Å; I32-V55 PolarHBondContact N-O 3.14Å; I32-I56 HydrophobicContact CB-CD1 4.44Å; I32-A57 PolarHBondContact O-N 3.25Å; I32-L110 HydrophobicContact CG1-CB 4.18Å; I32-L110 HydrophobicContact CG2-CB 4.38Å; I32-L110 HydrophobicContact CG2-CD2 4.07Å
33	T	98.1	Very high	93.2	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	143.7	170.9	68.6	0	0	0	0	111.4	G35 A57 V86 M95 L110 N111 N112 A113	T33-G35 VanDerWaalsContact C-N 3.3Å; T33-A57 CarbonylContact C-O 3.43Å; T33-A57 VanDerWaalsContact CA-O 3.3Å; T33-A57 WeakPolarHBondContact CA-O 3.35Å; T33-A57 HydrophobicContact CG2-CB 4.3Å; T33-V86 HydrophobicContact CG2-CG1 3.92Å; T33-M95 HydrophobicContact CG2-CE 4.16Å; T33-M95 HydrophobicContact CG2-SD 3.79Å; T33-L110 PolarHBondContact N-O 3Å; T33-L110 PolarHBondContact OG1-O 2.94Å; T33-N111 WeakPolarHBondContact OG1-CA 3.38Å; T33-N112 VanDerWaalsContact O-CB 3.25Å; T33-N112 WeakPolarHBondContact O-CB 3.39Å; T33-N112 PolarHBondContact O-ND2 3.34Å; T33-N112 VanDerWaalsContact O-ND2 3.13Å; T33-N112 PolarHBondContact OG1-N 2.78Å; T33-A113 PolarHBondContact O-N 2.78Å; T33-A113 PolarHBondContact OG1-N 2.85Å
34	G	95.4	Very high	93.3	Very high	11 Å²	11	29.4 Å²	29.4	11%	0.113	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	28.8	-175.5	0	0	0	0	0	112.7	A36 A57 D58 N112	G34-A36 VanDerWaalsContact C-N 3.35Å; G34-A57 PolarHBondContact N-O 3.02Å; G34-D58 WeakPolarHBondContact CA-OD2 3.47Å; G34-N112 PolarHBondContact O-ND2 2.94Å
35	G	93.7	Very high	93.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-2.3	-174.3	0	0	0	0	0	115.3	T33 Q37 K41 D58	T33-G35 VanDerWaalsContact C-N 3.3Å; G35-Q37 VanDerWaalsContact C-N 3.3Å; G35-Q37 PolarHBondContact O-N 3.34Å; G35-K41 VanDerWaalsContact O-CA 3.28Å; G35-K41 WeakPolarHBondContact O-CA 3.29Å; G35-K41 WeakPolarHBondContact O-CB 3.3Å; G35-K41 PolarHBondContact O-N 3.14Å; G35-D58 PolarHBondContact N-OD2 3.35Å
36	A	93.6	Very high	93.3	Very high	3 Å²	3	29.7 Å²	29.7	3%	0.025	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-24.3	-178.8	0	0	0	0	0	113.5	G34 D58 L60 G63 G64 T67	G34-A36 VanDerWaalsContact C-N 3.35Å; A36-D58 HydrophobicContact CB-CB 3.71Å; A36-D58 WeakPolarHBondContact CB-OD2 3.44Å; A36-D58 PolarHBondContact N-OD2 3.01Å; A36-L60 HydrophobicContact CB-CB 3.9Å; A36-G63 VanDerWaalsContact CB-C 3.48Å; A36-G64 VanDerWaalsContact CB-N 3.34Å; A36-T67 PolarHBondContact O-OG1 3.03Å
37	Q	90.2	Very high	93.4	Very high	91 Å²	91	25.3 Å²	25.3	43%	0.425	14%	0.135	S	C	.	.	S	Bend	trans	-154.8	174.1	-175.2	62.5	174.4	13.4	0	0	113.1	G35 L39 G40 K41 L60 S213	G35-Q37 VanDerWaalsContact C-N 3.3Å; G35-Q37 PolarHBondContact O-N 3.34Å; Q37-L39 PolarHBondContact O-N 2.95Å; Q37-G40 PolarHBondContact O-N 2.88Å; Q37-K41 PolarHBondContact O-N 3.07Å; Q37-L60 HydrophobicContact CG-CD1 4.28Å; Q37-S213 PolarHBondContact NE2-OG 2.85Å; Q37-S213 VanDerWaalsContact NE2-OG 3.08Å
38	G	88.1	Confident	93.4	Very high	36 Å²	36	17.9 Å²	17.9	37%	0.371	10%	0.101	S	C	.	.	H	α-helix	trans	57.7	-134.9	170.5	0	0	0	0	0	113.5	A42	G38-A42 PolarHBondContact O-N 2.8Å; G38-A42 VanDerWaalsContact O-N 3.16Å
39	L	87.6	Confident	93.2	Very high	16 Å²	16	18.1 Å²	18.1	8%	0.084	10%	0.102	C	C	.	.	H	α-helix	trans	-61.8	-46.7	-177.8	-179.5	68.4	0	0	0	112.1	Q37 K41 A42 V43 V162 M207 M210	Q37-L39 PolarHBondContact O-N 2.95Å; L39-K41 PolarHBondContact O-N 3.13Å; L39-A42 WeakPolarHBondContact O-CB 3.38Å; L39-A42 PolarHBondContact O-N 3.11Å; L39-A42 VanDerWaalsContact O-N 3.11Å; L39-V43 HydrophobicContact CD1-CG2 4.25Å; L39-V43 HydrophobicContact CG-CG2 4.32Å; L39-V43 WeakPolarHBondContact O-CG2 3.46Å; L39-V43 PolarHBondContact O-N 2.95Å; L39-V162 HydrophobicContact CD2-CG1 4.3Å; L39-V162 HydrophobicContact CD2-CG2 4.19Å; L39-M207 HydrophobicContact CD1-CE 4.11Å; L39-M207 HydrophobicContact CD2-CE 4.05Å; L39-M207 HydrophobicContact CD2-SD 3.44Å; L39-M207 WeakPolarHBondContact CD2-SD 3.45Å; L39-M210 HydrophobicContact CD2-CE 4.16Å
40	G	91.4	Very high	92.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.3	-45.6	-178.2	0	0	0	0	0	112	Q37 A42 V43 A44	Q37-G40 PolarHBondContact O-N 2.88Å; G40-A42 VanDerWaalsContact C-N 3.33Å; G40-A42 PolarHBondContact O-N 3.43Å; G40-V43 PolarHBondContact O-N 2.68Å; G40-A44 WeakPolarHBondContact O-CB 3.45Å; G40-A44 PolarHBondContact O-N 3.18Å
41	K	92.4	Very high	92.6	Very high	46 Å²	46	18.7 Å²	18.7	20%	0.2	11%	0.109	C	C	.	.	H	α-helix	trans	-59	-43.3	173.9	177.2	168.6	-168	160.2	0	112.4	G35 Q37 L39 A44 L45 N66 T67	G35-K41 VanDerWaalsContact O-CA 3.28Å; G35-K41 WeakPolarHBondContact O-CA 3.29Å; G35-K41 WeakPolarHBondContact O-CB 3.3Å; G35-K41 PolarHBondContact O-N 3.14Å; Q37-K41 PolarHBondContact O-N 3.07Å; L39-K41 PolarHBondContact O-N 3.13Å; K41-A44 WeakPolarHBondContact O-CB 3.31Å; K41-A44 PolarHBondContact O-N 3.29Å; K41-L45 HydrophobicContact CG-CD1 4.05Å; K41-L45 HydrophobicContact CG-CG 4.49Å; K41-L45 VanDerWaalsContact O-CG 3.29Å; K41-L45 WeakPolarHBondContact O-CG 3.39Å; K41-L45 PolarHBondContact O-N 3.41Å; K41-N66 PolarHBondContact NZ-OD1 2.89Å; K41-T67 HydrophobicContact CB-CG2 4.42Å; K41-T67 VanDerWaalsContact CD-OG1 3.29Å; K41-T67 WeakPolarHBondContact CD-OG1 3.17Å; K41-T67 VanDerWaalsContact CE-OG1 3.29Å; K41-T67 WeakPolarHBondContact CE-OG1 3.17Å; K41-T67 HydrophobicContact CG-CG2 3.86Å; K41-T67 WeakPolarHBondContact CG-OG1 3.19Å
42	A	89.6	Confident	92.5	Very high	16 Å²	16	18.7 Å²	18.7	13%	0.132	11%	0.109	C	C	.	.	H	α-helix	trans	-61.8	-51.3	179.2	0	0	0	0	0	110.3	G38 L39 G40 A44 L45 R46 H261	G38-A42 PolarHBondContact O-N 2.8Å; G38-A42 VanDerWaalsContact O-N 3.16Å; L39-A42 WeakPolarHBondContact O-CB 3.38Å; L39-A42 PolarHBondContact O-N 3.11Å; L39-A42 VanDerWaalsContact O-N 3.11Å; G40-A42 VanDerWaalsContact C-N 3.33Å; G40-A42 PolarHBondContact O-N 3.43Å; A42-A44 VanDerWaalsContact C-N 3.3Å; A42-A44 PolarHBondContact O-N 2.75Å; A42-L45 PolarHBondContact O-N 3.37Å; A42-R46 PolarHBondContact O-N 3.28Å; A42-H261 WeakPolarHBondContact CA-NE2 3.48Å; A42-H261 VanDerWaalsContact CB-NE2 3.29Å; A42-H261 WeakPolarHBondContact CB-NE2 3.19Å; A42-H261 PolarHBondContact O-CD2 2.77Å; A42-H261 PolarHBondContact O-CE1 2.85Å; A42-H261 VanDerWaalsContact O-CE1 3.31Å; A42-H261 PolarHBondContact O-NE2 3.49Å
43	V	91	Very high	92.4	Very high	7 Å²	7	19.3 Å²	19.3	4%	0.042	11%	0.112	C	C	.	.	H	α-helix	trans	-58.4	-42.5	177	177.2	0	0	0	0	111.5	I32 L39 G40 R46 A47 L110 V264	I32-V43 HydrophobicContact CD1-CB 4.47Å; I32-V43 HydrophobicContact CD1-CG1 4Å; L39-V43 HydrophobicContact CD1-CG2 4.25Å; L39-V43 HydrophobicContact CG-CG2 4.32Å; L39-V43 WeakPolarHBondContact O-CG2 3.46Å; L39-V43 PolarHBondContact O-N 2.95Å; G40-V43 PolarHBondContact O-N 2.68Å; V43-R46 WeakPolarHBondContact O-CB 3.32Å; V43-R46 PolarHBondContact O-N 3.35Å; V43-A47 WeakPolarHBondContact O-CB 3.47Å; V43-A47 PolarHBondContact O-N 3.02Å; V43-L110 HydrophobicContact CB-CD2 3.97Å; V43-L110 HydrophobicContact CG1-CD2 3.84Å; V43-L110 HydrophobicContact CG2-CD2 3.96Å; V43-V264 HydrophobicContact CG1-CB 4.4Å; V43-V264 HydrophobicContact CG1-CG1 4.12Å; V43-V264 HydrophobicContact CG2-CB 4.41Å; V43-V264 HydrophobicContact CG2-CG2 4.02Å
44	A	93.3	Very high	92.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.8	-50.4	177	0	0	0	0	0	112.8	I32 G40 K41 A42 R46 A47 A48 V54 I56 T67 I71	I32-A44 HydrophobicContact CD1-CB 3.87Å; G40-A44 WeakPolarHBondContact O-CB 3.45Å; G40-A44 PolarHBondContact O-N 3.18Å; K41-A44 WeakPolarHBondContact O-CB 3.31Å; K41-A44 PolarHBondContact O-N 3.29Å; A42-A44 VanDerWaalsContact C-N 3.3Å; A42-A44 PolarHBondContact O-N 2.75Å; A44-R46 PolarHBondContact O-N 2.96Å; A44-A47 PolarHBondContact O-N 3.26Å; A44-A48 WeakPolarHBondContact O-CB 3.49Å; A44-A48 PolarHBondContact O-N 3.31Å; A44-V54 HydrophobicContact CB-CG1 3.98Å; A44-I56 HydrophobicContact CB-CD1 3.36Å; A44-T67 HydrophobicContact CB-CG2 4.13Å; A44-I71 HydrophobicContact CB-CD1 4.08Å
45	L	92.4	Very high	92.5	Very high	49 Å²	49	18.6 Å²	18.6	26%	0.257	11%	0.105	S	C	.	.	H	α-helix	trans	-60.8	-36.5	177.6	-68.5	169.9	0	0	0	111.4	K41 A42 K49 L70 I71	K41-L45 HydrophobicContact CG-CD1 4.05Å; K41-L45 HydrophobicContact CG-CG 4.49Å; K41-L45 VanDerWaalsContact O-CG 3.29Å; K41-L45 WeakPolarHBondContact O-CG 3.39Å; K41-L45 PolarHBondContact O-N 3.41Å; A42-L45 PolarHBondContact O-N 3.37Å; L45-K49 WeakPolarHBondContact O-CB 3.32Å; L45-K49 PolarHBondContact O-N 3.19Å; L45-L70 HydrophobicContact CD2-CB 3.97Å; L45-I71 HydrophobicContact CD2-CG1 3.86Å
46	R	89.9	Confident	92.7	Very high	10 Å²	10	18.6 Å²	18.6	4%	0.038	11%	0.105	C	C	.	.	H	α-helix	trans	-68	-51.8	175.8	-172.3	56.5	171.2	-113.4	-14.8	113.1	Y19 F20 A42 V43 A44 A48 K49 E50 N259 H261	Y19-R46 PolarHBondContact O-NH1 2.92Å; Y19-R46 PolarHBondContact O-NH2 3.37Å; F20-R46 VanDerWaalsContact CA-NH2 3.28Å; A42-R46 PolarHBondContact O-N 3.28Å; V43-R46 WeakPolarHBondContact O-CB 3.32Å; V43-R46 PolarHBondContact O-N 3.35Å; A44-R46 PolarHBondContact O-N 2.96Å; R46-A48 PolarHBondContact O-N 3.23Å; R46-K49 CarbonylContact O-C 3.52Å; R46-K49 WeakPolarHBondContact O-CA 3.45Å; R46-K49 WeakPolarHBondContact O-CB 3.45Å; R46-K49 PolarHBondContact O-N 3.44Å; R46-E50 HydrophobicContact CG-CG 4.34Å; R46-E50 IonicContact CZ-OE1 3.37Å; R46-E50 VanDerWaalsContact NE-CD 3.3Å; R46-E50 IonicContact NE-OE1 2.67Å; R46-E50 PolarHBondContact NE-OE1 3.26Å; R46-E50 IonicContact NH2-OE1 2.77Å; R46-E50 PolarHBondContact NH2-OE1 3.5Å; R46-E50 WeakPolarHBondContact O-CG 3.45Å; R46-E50 PolarHBondContact O-N 3.12Å; R46-N259 PolarHBondContact NH1-OD1 2.87Å; R46-H261 HydrophobicContact CB-CB 4.09Å; R46-H261 VanDerWaalsContact CB-ND1 3.28Å; R46-H261 WeakPolarHBondContact CB-ND1 3.47Å; R46-H261 WeakPolarHBondContact CD-ND1 3.21Å; R46-H261 HydrophobicContact CG-CB 3.8Å; R46-H261 WeakPolarHBondContact CG-ND1 3.39Å
47	A	92.9	Very high	93	Very high	3 Å²	3	18.5 Å²	18.5	3%	0.025	10%	0.104	C	C	.	.	H	α-helix	trans	-56.1	-46	-177.1	0	0	0	0	0	109.1	F25 I30 V43 A44 E50 G51 A52 V54	F25-A47 HydrophobicContact CD2-CB 4.47Å; I30-A47 HydrophobicContact CD1-CB 3.9Å; V43-A47 WeakPolarHBondContact O-CB 3.47Å; V43-A47 PolarHBondContact O-N 3.02Å; A44-A47 PolarHBondContact O-N 3.26Å; A47-E50 CarbonylContact O-C 3.56Å; A47-E50 PolarHBondContact O-N 3.11Å; A47-E50 VanDerWaalsContact O-N 3.14Å; A47-G51 PolarHBondContact O-N 3.48Å; A47-A52 HydrophobicContact CB-CB 3.9Å; A47-A52 WeakPolarHBondContact O-CB 3.3Å; A47-A52 PolarHBondContact O-N 2.92Å; A47-V54 HydrophobicContact CB-CG2 3.99Å
48	A	93.8	Very high	93.4	Very high	4 Å²	4	14.6 Å²	14.6	3%	0.033	9%	0.086	C	C	.	.	H	α-helix	trans	-60	-47.7	172.3	0	0	0	0	0	112.5	A44 R46 E50 G51 V54 I71 A76	A44-A48 WeakPolarHBondContact O-CB 3.49Å; A44-A48 PolarHBondContact O-N 3.31Å; R46-A48 PolarHBondContact O-N 3.23Å; A48-E50 PolarHBondContact O-N 2.71Å; A48-E50 VanDerWaalsContact O-N 3.13Å; A48-G51 PolarHBondContact O-N 3.03Å; A48-V54 HydrophobicContact CB-CG2 4.08Å; A48-I71 HydrophobicContact CB-CB 4.2Å; A48-I71 HydrophobicContact CB-CD1 4.09Å; A48-I71 HydrophobicContact CB-CG1 3.83Å; A48-I71 HydrophobicContact CB-CG2 3.43Å; A48-I71 VanDerWaalsContact CB-CG2 3.43Å; A48-A76 CarbonylContact O-C 3.46Å
49	K	90.8	Very high	93.8	Very high	83 Å²	83	21.2 Å²	21.2	36%	0.361	10%	0.1	S	C	.	.	H	α-helix	trans	-57.8	-27.5	175.3	-171.7	178.3	-179.7	-176.4	0	113.1	F20 L45 R46	F20-K49 HydrophobicContact CD1-CD 4.34Å; F20-K49 VanDerWaalsContact CD1-CE 3.44Å; F20-K49 HydrophobicContact CD2-CD 4.37Å; F20-K49 HydrophobicContact CD2-CG 4.02Å; F20-K49 HydrophobicContact CE2-CG 4.23Å; F20-K49 HydrophobicContact CG-CD 4.16Å; F20-K49 HydrophobicContact CG-CG 4.31Å; L45-K49 WeakPolarHBondContact O-CB 3.32Å; L45-K49 PolarHBondContact O-N 3.19Å; R46-K49 CarbonylContact O-C 3.52Å; R46-K49 WeakPolarHBondContact O-CA 3.45Å; R46-K49 WeakPolarHBondContact O-CB 3.45Å; R46-K49 PolarHBondContact O-N 3.44Å
50	E	91.8	Very high	94.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	12.2	177.5	-63.4	-169.1	164.4	0	0	113.4	F20 V21 N23 R24 F25 R46 A47 A48	F20-E50 HydrophobicContact CB-CG 4.29Å; F20-E50 HydrophobicContact CD2-CG 4.21Å; V21-E50 PolarHBondContact N-OE1 2.92Å; V21-E50 WeakPolarHBondContact O-CB 3.36Å; V21-E50 VanDerWaalsContact O-CG 3.23Å; V21-E50 WeakPolarHBondContact O-CG 3.38Å; N23-E50 CarbonylContact C-O 3.51Å; N23-E50 WeakPolarHBondContact CA-O 3.35Å; N23-E50 PolarHBondContact N-O 3.39Å; R24-E50 HydrophobicContact CB-CB 4.23Å; R24-E50 WeakPolarHBondContact CD-OE2 3.34Å; R24-E50 IonicContact CZ-OE1 3.11Å; R24-E50 IonicContact CZ-OE2 3.19Å; R24-E50 PolarHBondContact N-O 2.89Å; R24-E50 VanDerWaalsContact N-O 3.11Å; R24-E50 IonicContact NE-OE2 3.19Å; R24-E50 IonicContact NH1-OE1 2.92Å; R24-E50 PolarHBondContact NH1-OE1 3.11Å; R24-E50 IonicContact NH1-OE2 2.8Å; R24-E50 PolarHBondContact NH1-OE2 3.32Å; F25-E50 HydrophobicContact CD2-CB 3.8Å; F25-E50 HydrophobicContact CE2-CB 4.29Å; F25-E50 VanDerWaalsContact CE2-OE2 3.28Å; F25-E50 WeakPolarHBondContact CE2-OE2 3.45Å; F25-E50 PolarHBondContact N-O 3.45Å; R46-E50 HydrophobicContact CG-CG 4.34Å; R46-E50 IonicContact CZ-OE1 3.37Å; R46-E50 VanDerWaalsContact NE-CD 3.3Å; R46-E50 IonicContact NE-OE1 2.67Å; R46-E50 PolarHBondContact NE-OE1 3.26Å; R46-E50 IonicContact NH2-OE1 2.77Å; R46-E50 PolarHBondContact NH2-OE1 3.5Å; R46-E50 WeakPolarHBondContact O-CG 3.45Å; R46-E50 PolarHBondContact O-N 3.12Å; A47-E50 CarbonylContact O-C 3.56Å; A47-E50 PolarHBondContact O-N 3.11Å; A47-E50 VanDerWaalsContact O-N 3.14Å; A48-E50 PolarHBondContact O-N 2.71Å; A48-E50 VanDerWaalsContact O-N 3.13Å
51	G	92.5	Very high	94.4	Very high	15 Å²	15	28.3 Å²	28.3	16%	0.155	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.8	0.4	169.4	0	0	0	0	0	116.4	F25 A47 A48	F25-G51 CarbonylContact O-C 3.54Å; A47-G51 PolarHBondContact O-N 3.48Å; A48-G51 PolarHBondContact O-N 3.03Å
52	A	94.8	Very high	94.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.163	C	C	.	.			trans	-71.3	148.7	-175	0	0	0	0	0	113.8	F25 K28 I30 A47 V54	F25-A52 HydrophobicContact CB-CB 3.69Å; F25-A52 HydrophobicContact CG-CB 4.42Å; F25-A52 WeakPolarHBondContact O-CA 3.26Å; K28-A52 WeakPolarHBondContact O-CA 3.29Å; I30-A52 HydrophobicContact CD1-CB 4.13Å; I30-A52 HydrophobicContact CG1-CB 3.97Å; A47-A52 HydrophobicContact CB-CB 3.9Å; A47-A52 WeakPolarHBondContact O-CB 3.3Å; A47-A52 PolarHBondContact O-N 2.92Å; A52-V54 HydrophobicContact CB-CG2 3.96Å
53	N	97.2	Very high	95	Very high	12 Å²	12	34.5 Å²	34.5	6%	0.064	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.1	150.5	-52.9	-54.8	0	0	0	108.3	K28 T29 I30 R78 F103	K28-N53 PolarHBondContact O-N 2.96Å; T29-N53 CarbonylContact C-O 3.54Å; T29-N53 VanDerWaalsContact CA-O 3.32Å; T29-N53 WeakPolarHBondContact CA-O 3.21Å; T29-N53 HydrophobicContact CG2-CB 4.39Å; I30-N53 PolarHBondContact N-O 3.18Å; N53-R78 CarbonylContact C-O 3.21Å; N53-R78 WeakPolarHBondContact CA-O 3.2Å; N53-R78 VanDerWaalsContact CG-NH2 3.34Å; N53-R78 PolarHBondContact ND2-NH2 3.5Å; N53-R78 VanDerWaalsContact OD1-CZ 3.24Å; N53-R78 PolarHBondContact OD1-NE 2.81Å; N53-R78 PolarHBondContact OD1-NH2 2.88Å; N53-F103 HydrophobicContact CB-CB 4.24Å; N53-F103 HydrophobicContact CB-CD1 3.68Å; N53-F103 HydrophobicContact CB-CD2 3.82Å; N53-F103 HydrophobicContact CB-CE1 3.88Å; N53-F103 HydrophobicContact CB-CE2 4Å; N53-F103 HydrophobicContact CB-CG 3.65Å; N53-F103 HydrophobicContact CB-CZ 4.03Å
54	V	97.6	Very high	95.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.4	-174.5	-175.7	0	0	0	0	110.3	I30 I32 A44 A47 A48 A52 I56 I71 R78 A79 H80	I30-V54 WeakPolarHBondContact O-CA 3.25Å; I32-V54 HydrophobicContact CD1-CG1 3.86Å; I32-V54 HydrophobicContact CG1-CG1 4.42Å; A44-V54 HydrophobicContact CB-CG1 3.98Å; A47-V54 HydrophobicContact CB-CG2 3.99Å; A48-V54 HydrophobicContact CB-CG2 4.08Å; A52-V54 HydrophobicContact CB-CG2 3.96Å; V54-I56 HydrophobicContact CG1-CD1 3.76Å; V54-I56 HydrophobicContact CG1-CG1 4.22Å; V54-I71 HydrophobicContact CB-CD1 4.29Å; V54-I71 HydrophobicContact CG1-CD1 4.37Å; V54-R78 PolarHBondContact N-O 3.3Å; V54-A79 CarbonylContact O-C 3.59Å; V54-A79 WeakPolarHBondContact O-CA 3.36Å; V54-H80 PolarHBondContact O-N 3.27Å
55	V	98.5	Very high	95.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.8	171.2	-177.6	0	0	0	0	108.1	T29 I30 L31 I32 H80 V82 A99 F103	T29-V55 HydrophobicContact CG2-CG2 4.2Å; I30-V55 PolarHBondContact O-N 3.13Å; L31-V55 HydrophobicContact CD1-CB 3.77Å; L31-V55 HydrophobicContact CD1-CG1 3.57Å; I32-V55 PolarHBondContact N-O 3.14Å; V55-H80 WeakPolarHBondContact CA-O 3.37Å; V55-V82 HydrophobicContact CG1-CG2 3.84Å; V55-A99 HydrophobicContact CB-CB 4.32Å; V55-A99 HydrophobicContact CG1-CB 4.33Å; V55-A99 HydrophobicContact CG2-CB 3.68Å; V55-F103 HydrophobicContact CG2-CD2 3.73Å; V55-F103 HydrophobicContact CG2-CE2 3.72Å
56	I	98.3	Very high	95.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	113.7	178.4	-58.9	-66.8	0	0	0	108.4	I32 A44 V54 T67 H80 F81 V82	I32-I56 HydrophobicContact CB-CD1 4.44Å; A44-I56 HydrophobicContact CB-CD1 3.36Å; V54-I56 HydrophobicContact CG1-CD1 3.76Å; V54-I56 HydrophobicContact CG1-CG1 4.22Å; I56-T67 HydrophobicContact CD1-CG2 4.18Å; I56-T67 HydrophobicContact CG1-CG2 4.38Å; I56-H80 PolarHBondContact N-O 2.93Å; I56-F81 HydrophobicContact CB-CD2 4.16Å; I56-F81 HydrophobicContact CG2-CD2 3.93Å; I56-F81 HydrophobicContact CG2-CE2 4.36Å; I56-F81 WeakPolarHBondContact O-CA 3.37Å; I56-F81 VanDerWaalsContact O-CD2 3.26Å; I56-F81 WeakPolarHBondContact O-CD2 3.47Å; I56-V82 PolarHBondContact O-N 2.87Å
57	A	98.7	Very high	95.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.4	171.9	0	0	0	0	0	109.4	L31 I32 T33 G34 V82 A84 M95	L31-A57 HydrophobicContact CD1-CB 4.18Å; I32-A57 PolarHBondContact O-N 3.25Å; T33-A57 CarbonylContact C-O 3.43Å; T33-A57 VanDerWaalsContact CA-O 3.3Å; T33-A57 WeakPolarHBondContact CA-O 3.35Å; T33-A57 HydrophobicContact CG2-CB 4.3Å; G34-A57 PolarHBondContact N-O 3.02Å; A57-V82 WeakPolarHBondContact CA-O 3.34Å; A57-A84 HydrophobicContact CB-CB 4.16Å; A57-M95 HydrophobicContact CB-CB 3.99Å; A57-M95 HydrophobicContact CB-SD 3.79Å
58	D	98.4	Very high	96.1	Very high	9 Å²	9	40 Å²	40	5%	0.048	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	155.4	178.7	-150.9	-58	0	0	0	110.7	G34 G35 A36 L60 F81 V82 L83 A84	G34-D58 WeakPolarHBondContact CA-OD2 3.47Å; G35-D58 PolarHBondContact N-OD2 3.35Å; A36-D58 HydrophobicContact CB-CB 3.71Å; A36-D58 WeakPolarHBondContact CB-OD2 3.44Å; A36-D58 PolarHBondContact N-OD2 3.01Å; D58-L60 PolarHBondContact OD1-N 3.11Å; D58-F81 HydrophobicContact CB-CE2 4.17Å; D58-V82 PolarHBondContact N-O 3.16Å; D58-L83 WeakPolarHBondContact O-CA 3.34Å; D58-A84 CarbonylContact C-O 3.55Å; D58-A84 VanDerWaalsContact C-O 3.22Å; D58-A84 PolarHBondContact O-N 2.98Å
59	W	96.2	Very high	96.2	Very high	175 Å²	175	42.4 Å²	42.4	66%	0.663	22%	0.217	S	C	*	.	S	Bend	trans	-85.4	-16.6	174	75.2	-61.9	0	0	0	111.9	E61 L83 A84	W59-E61 PolarHBondContact O-N 3.34Å; W59-L83 WeakPolarHBondContact O-CD1 3.46Å; W59-A84 PolarHBondContact N-O 2.99Å; W59-A84 VanDerWaalsContact N-O 3.17Å
60	L	95.4	Very high	96.4	Very high	56 Å²	56	41.9 Å²	41.9	29%	0.293	22%	0.218	S	C	.	.			trans	-85.8	85.3	175.2	-60.3	177.5	0	0	0	110.7	A36 Q37 D58 E62 G63 G64	A36-L60 HydrophobicContact CB-CB 3.9Å; Q37-L60 HydrophobicContact CG-CD1 4.28Å; D58-L60 PolarHBondContact OD1-N 3.11Å; L60-E62 PolarHBondContact O-N 3.27Å; L60-G63 PolarHBondContact O-N 3.05Å; L60-G64 PolarHBondContact O-N 3.4Å
61	E	97.8	Very high	96.5	Very high	109 Å²	109	42 Å²	42	51%	0.509	22%	0.219	S	C	.	.	H	α-helix	trans	-50.8	-55.1	-175.3	-175.3	166.9	-151.4	0	0	113.7	W59 G63 G64 L65 F81 L83	W59-E61 PolarHBondContact O-N 3.34Å; E61-G63 VanDerWaalsContact C-N 3.31Å; E61-G63 PolarHBondContact O-N 3.18Å; E61-G64 PolarHBondContact O-N 2.89Å; E61-G64 VanDerWaalsContact O-N 3.16Å; E61-L65 HydrophobicContact CG-CD1 3.88Å; E61-L65 HydrophobicContact CG-CG 4.39Å; E61-L65 WeakPolarHBondContact O-CG 3.37Å; E61-L65 PolarHBondContact O-N 2.97Å; E61-F81 HydrophobicContact CB-CE1 4.42Å; E61-F81 HydrophobicContact CG-CE1 4.05Å; E61-L83 HydrophobicContact CB-CD1 4.02Å
62	E	97.8	Very high	96.7	Very high	170 Å²	170	45 Å²	45	79%	0.794	23%	0.231	S	C	*	.	H	α-helix	trans	-58.1	-43.6	-178	-172.9	-171	164.9	0	0	112	L60 N66	L60-E62 PolarHBondContact O-N 3.27Å; E62-N66 VanDerWaalsContact O-CB 3.3Å; E62-N66 WeakPolarHBondContact O-CB 3.41Å; E62-N66 PolarHBondContact O-N 2.93Å
63	G	95.6	Very high	96.5	Very high	22 Å²	22	49.1 Å²	49.1	23%	0.227	27%	0.265	C	S	.	.	H	α-helix	trans	-69.5	-35.6	179.7	0	0	0	0	0	112.8	A36 L60 E61 T67	A36-G63 VanDerWaalsContact CB-C 3.48Å; L60-G63 PolarHBondContact O-N 3.05Å; E61-G63 VanDerWaalsContact C-N 3.31Å; E61-G63 PolarHBondContact O-N 3.18Å; G63-T67 WeakPolarHBondContact O-CB 3.4Å; G63-T67 PolarHBondContact O-N 3.16Å; G63-T67 PolarHBondContact O-OG1 2.77Å
64	G	97	Very high	95.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-51.6	174.3	0	0	0	0	0	111.7	A36 L60 E61 N66 T67 T68	A36-G64 VanDerWaalsContact CB-N 3.34Å; L60-G64 PolarHBondContact O-N 3.4Å; E61-G64 PolarHBondContact O-N 2.89Å; E61-G64 VanDerWaalsContact O-N 3.16Å; G64-N66 VanDerWaalsContact C-N 3.33Å; G64-N66 PolarHBondContact O-N 3.39Å; G64-T67 PolarHBondContact O-N 2.95Å; G64-T68 PolarHBondContact O-N 2.82Å; G64-T68 PolarHBondContact O-OG1 2.82Å
65	L	97.9	Very high	94.3	Very high	90 Å²	90	57.5 Å²	57.5	47%	0.471	33%	0.326	S	S	.	.	H	α-helix	trans	-58.8	-42.6	175.8	-69.7	174.3	0	0	0	112.1	E61 T67 T68 A69 F81	E61-L65 HydrophobicContact CG-CD1 3.88Å; E61-L65 HydrophobicContact CG-CG 4.39Å; E61-L65 WeakPolarHBondContact O-CG 3.37Å; E61-L65 PolarHBondContact O-N 2.97Å; L65-T67 PolarHBondContact O-N 2.83Å; L65-T68 PolarHBondContact O-N 3.31Å; L65-A69 WeakPolarHBondContact O-CB 3.27Å; L65-A69 PolarHBondContact O-N 3.22Å; L65-F81 HydrophobicContact CD2-CB 4.3Å; L65-F81 HydrophobicContact CD2-CD1 3.75Å; L65-F81 HydrophobicContact CD2-CG 4.31Å; L65-F81 HydrophobicContact CG-CD1 3.96Å; L65-F81 HydrophobicContact CG-CE1 4.38Å
66	N	96.8	Very high	92.9	Very high	79 Å²	79	59.8 Å²	59.8	42%	0.422	34%	0.344	S	S	.	.	H	α-helix	trans	-61.4	-43.6	176.4	179.9	-99.4	0	0	0	112.2	K41 E62 G64 A69 L70	K41-N66 PolarHBondContact NZ-OD1 2.89Å; E62-N66 VanDerWaalsContact O-CB 3.3Å; E62-N66 WeakPolarHBondContact O-CB 3.41Å; E62-N66 PolarHBondContact O-N 2.93Å; G64-N66 VanDerWaalsContact C-N 3.33Å; G64-N66 PolarHBondContact O-N 3.39Å; N66-A69 PolarHBondContact O-N 2.87Å; N66-L70 WeakPolarHBondContact O-CG 3.07Å; N66-L70 PolarHBondContact O-N 3.04Å
67	T	95.1	Very high	92.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-65.2	-43.9	179	-59.4	0	0	0	0	111.3	A36 K41 A44 I56 G63 G64 L65 L70 I71	A36-T67 PolarHBondContact O-OG1 3.03Å; K41-T67 HydrophobicContact CB-CG2 4.42Å; K41-T67 VanDerWaalsContact CD-OG1 3.29Å; K41-T67 WeakPolarHBondContact CD-OG1 3.17Å; K41-T67 VanDerWaalsContact CE-OG1 3.29Å; K41-T67 WeakPolarHBondContact CE-OG1 3.17Å; K41-T67 HydrophobicContact CG-CG2 3.86Å; K41-T67 WeakPolarHBondContact CG-OG1 3.19Å; A44-T67 HydrophobicContact CB-CG2 4.13Å; I56-T67 HydrophobicContact CD1-CG2 4.18Å; I56-T67 HydrophobicContact CG1-CG2 4.38Å; G63-T67 WeakPolarHBondContact O-CB 3.4Å; G63-T67 PolarHBondContact O-N 3.16Å; G63-T67 PolarHBondContact O-OG1 2.77Å; G64-T67 PolarHBondContact O-N 2.95Å; L65-T67 PolarHBondContact O-N 2.83Å; T67-L70 PolarHBondContact O-N 3.1Å; T67-I71 HydrophobicContact CG2-CD1 4.31Å; T67-I71 WeakPolarHBondContact O-CG1 3.45Å; T67-I71 PolarHBondContact O-N 3.25Å; T67-I71 VanDerWaalsContact O-N 3.11Å
68	T	97	Very high	92	Very high	15 Å²	15	66.9 Å²	66.9	9%	0.092	38%	0.376	C	S	.	.	H	α-helix	trans	-61.4	-43.6	175.5	-66.5	0	0	0	0	112	G64 L65 L70 I71 N72 A79	G64-T68 PolarHBondContact O-N 2.82Å; G64-T68 PolarHBondContact O-OG1 2.82Å; L65-T68 PolarHBondContact O-N 3.31Å; T68-L70 PolarHBondContact O-N 2.97Å; T68-I71 PolarHBondContact O-N 2.95Å; T68-N72 PolarHBondContact O-N 3.24Å; T68-N72 PolarHBondContact O-ND2 2.77Å; T68-A79 HydrophobicContact CG2-CB 3.81Å; T68-A79 WeakPolarHBondContact CG2-O 3.47Å
69	A	96.1	Very high	91.9	Very high	56 Å²	56	66.9 Å²	66.9	46%	0.463	38%	0.378	S	S	.	.	H	α-helix	trans	-62	-42.8	176.5	0	0	0	0	0	112.3	L65 N66 I71 N72 A73	L65-A69 WeakPolarHBondContact O-CB 3.27Å; L65-A69 PolarHBondContact O-N 3.22Å; N66-A69 PolarHBondContact O-N 2.87Å; A69-I71 VanDerWaalsContact C-N 3.31Å; A69-I71 PolarHBondContact O-N 2.94Å; A69-N72 PolarHBondContact O-N 3.22Å; A69-A73 VanDerWaalsContact O-CB 3.25Å; A69-A73 WeakPolarHBondContact O-CB 3.39Å; A69-A73 PolarHBondContact O-N 3.36Å
70	L	94.4	Very high	92	Very high	71 Å²	71	60.7 Å²	60.7	37%	0.372	36%	0.356	S	S	.	.	H	α-helix	trans	-61.9	-37.9	176.3	-73.6	169.7	0	0	0	112.4	L45 N66 T67 T68 N74	L45-L70 HydrophobicContact CD2-CB 3.97Å; N66-L70 WeakPolarHBondContact O-CG 3.07Å; N66-L70 PolarHBondContact O-N 3.04Å; T67-L70 PolarHBondContact O-N 3.1Å; T68-L70 PolarHBondContact O-N 2.97Å; L70-N74 PolarHBondContact O-ND2 3.23Å
71	I	94.6	Very high	92.2	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.021	35%	0.347	C	S	.	.	H	α-helix	trans	-66.7	-52.1	176.3	-70.6	168.9	0	0	0	110.3	A44 L45 A48 V54 T67 T68 A69 A73 N74 A79	A44-I71 HydrophobicContact CB-CD1 4.08Å; L45-I71 HydrophobicContact CD2-CG1 3.86Å; A48-I71 HydrophobicContact CB-CB 4.2Å; A48-I71 HydrophobicContact CB-CD1 4.09Å; A48-I71 HydrophobicContact CB-CG1 3.83Å; A48-I71 HydrophobicContact CB-CG2 3.43Å; A48-I71 VanDerWaalsContact CB-CG2 3.43Å; V54-I71 HydrophobicContact CB-CD1 4.29Å; V54-I71 HydrophobicContact CG1-CD1 4.37Å; T67-I71 HydrophobicContact CG2-CD1 4.31Å; T67-I71 WeakPolarHBondContact O-CG1 3.45Å; T67-I71 PolarHBondContact O-N 3.25Å; T67-I71 VanDerWaalsContact O-N 3.11Å; T68-I71 PolarHBondContact O-N 2.95Å; A69-I71 VanDerWaalsContact C-N 3.31Å; A69-I71 PolarHBondContact O-N 2.94Å; I71-A73 VanDerWaalsContact C-N 3.34Å; I71-A73 PolarHBondContact O-N 2.84Å; I71-N74 PolarHBondContact O-N 3.25Å; I71-A79 HydrophobicContact CB-CB 3.69Å; I71-A79 HydrophobicContact CD1-CB 3.8Å; I71-A79 HydrophobicContact CG1-CB 4.33Å; I71-A79 HydrophobicContact CG2-CB 3.53Å
72	N	94.8	Very high	92.2	Very high	77 Å²	77	54 Å²	54	41%	0.412	32%	0.323	S	S	.	.	H	α-helix	trans	-66.7	-33.8	-174.7	-70.9	-25.2	0	0	0	112.8	T68 A69 A79	T68-N72 PolarHBondContact O-N 3.24Å; T68-N72 PolarHBondContact O-ND2 2.77Å; A69-N72 PolarHBondContact O-N 3.22Å; N72-A79 PolarHBondContact ND2-O 2.86Å; N72-A79 VanDerWaalsContact ND2-O 3.1Å; N72-A79 PolarHBondContact OD1-N 3.29Å
73	A	90.8	Very high	92.3	Very high	86 Å²	86	49.8 Å²	49.8	71%	0.711	31%	0.306	S	S	*	.	H	α-helix	trans	-70.6	-29.1	179.9	0	0	0	0	0	113.7	A69 I71 G75	A69-A73 VanDerWaalsContact O-CB 3.25Å; A69-A73 WeakPolarHBondContact O-CB 3.39Å; A69-A73 PolarHBondContact O-N 3.36Å; I71-A73 VanDerWaalsContact C-N 3.34Å; I71-A73 PolarHBondContact O-N 2.84Å; A73-G75 VanDerWaalsContact C-N 3.34Å
74	N	78.7	Confident	92.4	Very high	122 Å²	122	48.9 Å²	48.9	65%	0.652	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-8.5	-177	-72.4	-35.4	0	0	0	113.5	L70 I71 A76	L70-N74 PolarHBondContact O-ND2 3.23Å; I71-N74 PolarHBondContact O-N 3.25Å; N74-A76 PolarHBondContact O-N 3.17Å; N74-A76 VanDerWaalsContact O-N 3.07Å
75	G	70.9	Confident	92.5	Very high	67 Å²	67	51.2 Å²	51.2	69%	0.691	31%	0.308	S	S	*	.	S	Bend	trans	68.4	1.2	177	0	0	0	0	0	116.1	A73	A73-G75 VanDerWaalsContact C-N 3.34Å
76	A	70	Confident	92.5	Very high	47 Å²	47	47.4 Å²	47.4	39%	0.388	29%	0.289	S	S	.	.	S	Bend	trans	-80.3	-17.5	-176.6	0	0	0	0	0	113.9	A48 N74	A48-A76 CarbonylContact O-C 3.46Å; N74-A76 PolarHBondContact O-N 3.17Å; N74-A76 VanDerWaalsContact O-N 3.07Å
77	G	81.9	Confident	92.5	Very high	16 Å²	16	45.1 Å²	45.1	17%	0.165	28%	0.279	C	S	.	.	S	Bend	trans	-166	-175	179.1	0	0	0	0	0	111
78	R	94.8	Very high	92.7	Very high	133 Å²	133	50.1 Å²	50.1	50%	0.502	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	140.4	176.8	-61.4	-178	-64	174.5	-0.5	109.2	N53 V54 F103	N53-R78 CarbonylContact C-O 3.21Å; N53-R78 WeakPolarHBondContact CA-O 3.2Å; N53-R78 VanDerWaalsContact CG-NH2 3.34Å; N53-R78 PolarHBondContact ND2-NH2 3.5Å; N53-R78 VanDerWaalsContact OD1-CZ 3.24Å; N53-R78 PolarHBondContact OD1-NE 2.81Å; N53-R78 PolarHBondContact OD1-NH2 2.88Å; V54-R78 PolarHBondContact N-O 3.3Å; R78-F103 HydrophobicContact CB-CE1 3.74Å; R78-F103 HydrophobicContact CB-CZ 4Å
79	A	97.6	Very high	92.7	Very high	10 Å²	10	51.3 Å²	51.3	8%	0.083	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	145.1	176	0	0	0	0	0	112.8	V54 T68 I71 N72	V54-A79 CarbonylContact O-C 3.59Å; V54-A79 WeakPolarHBondContact O-CA 3.36Å; T68-A79 HydrophobicContact CG2-CB 3.81Å; T68-A79 WeakPolarHBondContact CG2-O 3.47Å; I71-A79 HydrophobicContact CB-CB 3.69Å; I71-A79 HydrophobicContact CD1-CB 3.8Å; I71-A79 HydrophobicContact CG1-CB 4.33Å; I71-A79 HydrophobicContact CG2-CB 3.53Å; N72-A79 PolarHBondContact ND2-O 2.86Å; N72-A79 VanDerWaalsContact ND2-O 3.1Å; N72-A79 PolarHBondContact OD1-N 3.29Å
80	H	98.2	Very high	92.9	Very high	45 Å²	45	54.5 Å²	54.5	21%	0.208	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.8	172.2	-176.9	58.2	0	0	0	109.8	V54 V55 I56 E98 Q102 F103	V54-H80 PolarHBondContact O-N 3.27Å; V55-H80 WeakPolarHBondContact CA-O 3.37Å; I56-H80 PolarHBondContact N-O 2.93Å; H80-E98 IonicContact CD2-OE2 3.67Å; H80-E98 IonicContact CE1-OE2 3.71Å; H80-E98 IonicContact NE2-OE2 3.96Å; H80-E98 PolarHBondContact NE2-OE2 3.03Å; H80-Q102 HydrophobicContact CB-CG 4Å; H80-F103 HydrophobicContact CB-CE2 3.94Å; H80-F103 HydrophobicContact CB-CZ 4.21Å
81	F	98.6	Very high	93.1	Very high	23 Å²	23	52.1 Å²	52.1	10%	0.101	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.3	177.7	175	-113.5	0	0	0	110.6	I56 D58 E61 L65 L83	I56-F81 HydrophobicContact CB-CD2 4.16Å; I56-F81 HydrophobicContact CG2-CD2 3.93Å; I56-F81 HydrophobicContact CG2-CE2 4.36Å; I56-F81 WeakPolarHBondContact O-CA 3.37Å; I56-F81 VanDerWaalsContact O-CD2 3.26Å; I56-F81 WeakPolarHBondContact O-CD2 3.47Å; D58-F81 HydrophobicContact CB-CE2 4.17Å; E61-F81 HydrophobicContact CB-CE1 4.42Å; E61-F81 HydrophobicContact CG-CE1 4.05Å; L65-F81 HydrophobicContact CD2-CB 4.3Å; L65-F81 HydrophobicContact CD2-CD1 3.75Å; L65-F81 HydrophobicContact CD2-CG 4.31Å; L65-F81 HydrophobicContact CG-CD1 3.96Å; L65-F81 HydrophobicContact CG-CE1 4.38Å; F81-L83 HydrophobicContact CE1-CB 4.01Å; F81-L83 HydrophobicContact CZ-CB 4.12Å; F81-L83 HydrophobicContact CZ-CD1 4.15Å
82	V	98.7	Very high	93.2	Very high	2 Å²	2	52 Å²	52	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	118.7	172.3	-170.7	0	0	0	0	108.4	V55 I56 A57 D58 A84 R94 M95 E98	V55-V82 HydrophobicContact CG1-CG2 3.84Å; I56-V82 PolarHBondContact O-N 2.87Å; A57-V82 WeakPolarHBondContact CA-O 3.34Å; D58-V82 PolarHBondContact N-O 3.16Å; V82-A84 HydrophobicContact CG1-CB 4.5Å; V82-A84 PolarHBondContact O-N 3.11Å; V82-R94 HydrophobicContact CG1-CG 4.31Å; V82-M95 HydrophobicContact CB-CB 4.45Å; V82-M95 HydrophobicContact CG1-CB 4.25Å; V82-E98 HydrophobicContact CG2-CB 3.92Å
83	L	98.6	Very high	93.4	Very high	81 Å²	81	51.8 Å²	51.8	42%	0.424	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	115.2	169.9	-177	64.7	0	0	0	108.5	D58 W59 E61 F81 R94	D58-L83 WeakPolarHBondContact O-CA 3.34Å; W59-L83 WeakPolarHBondContact O-CD1 3.46Å; E61-L83 HydrophobicContact CB-CD1 4.02Å; F81-L83 HydrophobicContact CE1-CB 4.01Å; F81-L83 HydrophobicContact CZ-CB 4.12Å; F81-L83 HydrophobicContact CZ-CD1 4.15Å; L83-R94 PolarHBondContact O-NH2 3.39Å
84	A	98.4	Very high	93.8	Very high	3 Å²	3	51.5 Å²	51.5	3%	0.025	28%	0.28	C	S	.	.			trans	-149	128.3	-172.5	0	0	0	0	0	112.7	A57 D58 W59 V82 D91	A57-A84 HydrophobicContact CB-CB 4.16Å; D58-A84 CarbonylContact C-O 3.55Å; D58-A84 VanDerWaalsContact C-O 3.22Å; D58-A84 PolarHBondContact O-N 2.98Å; W59-A84 PolarHBondContact N-O 2.99Å; W59-A84 VanDerWaalsContact N-O 3.17Å; V82-A84 HydrophobicContact CG1-CB 4.5Å; V82-A84 PolarHBondContact O-N 3.11Å; A84-D91 HydrophobicContact CB-CB 4.1Å
85	D	98.1	Very high	94.8	Very high	48 Å²	48	45.7 Å²	45.7	26%	0.257	25%	0.249	S	C	.	.			trans	-94.4	104.6	163.7	179.5	-6.2	0	0	0	108.9	S87 K88 D91	D85-S87 PolarHBondContact O-N 3.03Å; D85-S87 VanDerWaalsContact OD1-CB 3.26Å; D85-S87 WeakPolarHBondContact OD1-CB 3.34Å; D85-S87 PolarHBondContact OD1-N 3.24Å; D85-S87 PolarHBondContact OD1-OG 3.06Å; D85-S87 PolarHBondContact OD2-OG 3.19Å; D85-S87 VanDerWaalsContact OD2-OG 3.11Å; D85-K88 HydrophobicContact CB-CD 4.13Å; D85-K88 HydrophobicContact CB-CG 4.25Å; D85-K88 WeakPolarHBondContact O-CB 3.29Å; D85-K88 PolarHBondContact O-N 3Å; D85-K88 WeakPolarHBondContact OD2-CE 3.46Å; D85-D91 PolarHBondContact N-OD2 3.45Å; D85-D91 WeakPolarHBondContact O-CB 3.42Å
86	V	98	Very high	96.1	Very high	11 Å²	11	43 Å²	43	7%	0.067	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-18.5	-178.4	-63.5	0	0	0	0	113.4	T33 K88 A113 I134 G138	T33-V86 HydrophobicContact CG2-CG1 3.92Å; V86-K88 PolarHBondContact O-N 3.33Å; V86-A113 HydrophobicContact CG1-CB 4.15Å; V86-A113 HydrophobicContact CG2-CB 3.91Å; V86-I134 HydrophobicContact CG2-CG2 4.2Å; V86-G138 VanDerWaalsContact O-CA 3.25Å; V86-G138 WeakPolarHBondContact O-CA 3.46Å
87	S	97.6	Very high	97.4	Very high	31 Å²	31	46.6 Å²	46.6	22%	0.217	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.3	174.6	73.8	0	0	0	0	113	D85 K141	D85-S87 PolarHBondContact O-N 3.03Å; D85-S87 VanDerWaalsContact OD1-CB 3.26Å; D85-S87 WeakPolarHBondContact OD1-CB 3.34Å; D85-S87 PolarHBondContact OD1-N 3.24Å; D85-S87 PolarHBondContact OD1-OG 3.06Å; D85-S87 PolarHBondContact OD2-OG 3.19Å; D85-S87 VanDerWaalsContact OD2-OG 3.11Å; S87-K141 WeakPolarHBondContact O-CD 3.49Å; S87-K141 WeakPolarHBondContact O-CE 3.23Å; S87-K141 PolarHBondContact O-NZ 3Å
88	K	98.5	Very high	98.3	Very high	104 Å²	104	48.1 Å²	48.1	45%	0.452	23%	0.229	S	C	.	.	S	Bend	trans	-101.9	137.4	-178.1	-57.7	-179.3	-174.7	170.6	0	111.8	D85 V86 D91 A92	D85-K88 HydrophobicContact CB-CD 4.13Å; D85-K88 HydrophobicContact CB-CG 4.25Å; D85-K88 WeakPolarHBondContact O-CB 3.29Å; D85-K88 PolarHBondContact O-N 3Å; D85-K88 WeakPolarHBondContact OD2-CE 3.46Å; V86-K88 PolarHBondContact O-N 3.33Å; K88-D91 HydrophobicContact CB-CB 4.13Å; K88-A92 PolarHBondContact O-N 3.19Å
89	T	98.4	Very high	98.4	Very high	41 Å²	41	41.8 Å²	41.8	25%	0.252	21%	0.205	S	C	.	.	H	α-helix	trans	-67.6	-41.8	-178.6	-67.1	0	0	0	0	110.8	D91 A92 D93 R144	T89-D91 PolarHBondContact O-N 3.31Å; T89-A92 PolarHBondContact O-N 3.25Å; T89-A92 VanDerWaalsContact O-N 3.16Å; T89-D93 PolarHBondContact O-N 3.33Å; T89-R144 PolarHBondContact OG1-NH2 2.85Å
90	E	98.6	Very high	98.5	Very high	123 Å²	123	43.2 Å²	43.2	58%	0.575	21%	0.213	S	C	*	.	H	α-helix	trans	-64.6	-32.3	-175.8	-56.6	71.1	-153.5	0	0	111.3	R94	E90-R94 WeakPolarHBondContact O-CB 3.41Å; E90-R94 PolarHBondContact O-N 2.79Å
91	D	98.7	Very high	98.5	Very high	21 Å²	21	47.3 Å²	47.3	11%	0.112	23%	0.232	C	C	.	.	H	α-helix	trans	-75.4	-39.5	177	-72.9	11.6	0	0	0	111.3	A84 D85 K88 T89 R94 M95	A84-D91 HydrophobicContact CB-CB 4.1Å; D85-D91 PolarHBondContact N-OD2 3.45Å; D85-D91 WeakPolarHBondContact O-CB 3.42Å; K88-D91 HydrophobicContact CB-CB 4.13Å; T89-D91 PolarHBondContact O-N 3.31Å; D91-R94 PolarHBondContact O-N 3.21Å; D91-R94 IonicContact OD1-CZ 3.83Å; D91-R94 IonicContact OD1-NH1 3.18Å; D91-R94 PolarHBondContact OD1-NH1 3.02Å; D91-R94 IonicContact OD1-NH2 3.98Å; D91-R94 PolarHBondContact OD1-NH2 3.25Å; D91-R94 IonicContact OD2-NH2 2.68Å; D91-R94 PolarHBondContact OD2-NH2 3.42Å; D91-M95 WeakPolarHBondContact O-CG 3.28Å; D91-M95 PolarHBondContact O-N 3.42Å
92	A	98.6	Very high	98.5	Very high	1 Å²	1	51 Å²	51	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-41	173.7	0	0	0	0	0	112.2	K88 T89 M95 V96 K141 A145	K88-A92 PolarHBondContact O-N 3.19Å; T89-A92 PolarHBondContact O-N 3.25Å; T89-A92 VanDerWaalsContact O-N 3.16Å; A92-M95 HydrophobicContact CB-CE 4.09Å; A92-M95 WeakPolarHBondContact O-CG 3.29Å; A92-V96 PolarHBondContact O-N 3.35Å; A92-K141 HydrophobicContact CB-CB 3.91Å; A92-A145 HydrophobicContact CB-CB 4.39Å; A92-A145 WeakPolarHBondContact O-CB 3.5Å
93	D	98.7	Very high	98.4	Very high	73 Å²	73	52.2 Å²	52.2	39%	0.39	26%	0.255	S	S	.	.	H	α-helix	trans	-68.9	-39.8	175.4	-66.6	-23.3	0	0	0	111	T89 V96 K97	T89-D93 PolarHBondContact O-N 3.33Å; D93-V96 PolarHBondContact O-N 3.34Å; D93-K97 WeakPolarHBondContact O-CB 3.28Å; D93-K97 PolarHBondContact O-N 2.82Å
94	R	98.7	Very high	98.4	Very high	80 Å²	80	51.4 Å²	51.4	30%	0.302	27%	0.265	S	S	.	.	H	α-helix	trans	-64.1	-45.4	178.7	-178.9	172.5	66.2	-102.5	4.4	112.5	V82 L83 E90 D91 V96 K97 E98	V82-R94 HydrophobicContact CG1-CG 4.31Å; L83-R94 PolarHBondContact O-NH2 3.39Å; E90-R94 WeakPolarHBondContact O-CB 3.41Å; E90-R94 PolarHBondContact O-N 2.79Å; D91-R94 PolarHBondContact O-N 3.21Å; D91-R94 IonicContact OD1-CZ 3.83Å; D91-R94 IonicContact OD1-NH1 3.18Å; D91-R94 PolarHBondContact OD1-NH1 3.02Å; D91-R94 IonicContact OD1-NH2 3.98Å; D91-R94 PolarHBondContact OD1-NH2 3.25Å; D91-R94 IonicContact OD2-NH2 2.68Å; D91-R94 PolarHBondContact OD2-NH2 3.42Å; R94-V96 PolarHBondContact O-N 2.71Å; R94-K97 PolarHBondContact O-N 3.44Å; R94-E98 VanDerWaalsContact CD-OE1 3.31Å; R94-E98 WeakPolarHBondContact CD-OE1 3.44Å; R94-E98 HydrophobicContact CG-CG 4.17Å; R94-E98 WeakPolarHBondContact CG-OE1 3.48Å; R94-E98 IonicContact NE-OE1 2.71Å; R94-E98 PolarHBondContact O-N 3.42Å
95	M	98.5	Very high	98.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.4	-35.5	179.1	63.3	174.3	-168.1	0	0	112.2	L31 T33 A57 V82 D91 A92 A99 S142	L31-M95 HydrophobicContact CD1-CB 4.18Å; L31-M95 HydrophobicContact CD1-CG 4.41Å; L31-M95 HydrophobicContact CD1-SD 4.3Å; L31-M95 HydrophobicContact CD2-CE 3.92Å; L31-M95 HydrophobicContact CD2-CG 3.99Å; L31-M95 HydrophobicContact CD2-SD 3.93Å; L31-M95 HydrophobicContact CG-SD 4.46Å; T33-M95 HydrophobicContact CG2-CE 4.16Å; T33-M95 HydrophobicContact CG2-SD 3.79Å; A57-M95 HydrophobicContact CB-CB 3.99Å; A57-M95 HydrophobicContact CB-SD 3.79Å; V82-M95 HydrophobicContact CB-CB 4.45Å; V82-M95 HydrophobicContact CG1-CB 4.25Å; D91-M95 WeakPolarHBondContact O-CG 3.28Å; D91-M95 PolarHBondContact O-N 3.42Å; A92-M95 HydrophobicContact CB-CE 4.09Å; A92-M95 WeakPolarHBondContact O-CG 3.29Å; M95-A99 WeakPolarHBondContact O-CB 3.39Å; M95-A99 PolarHBondContact O-N 2.89Å; M95-A99 VanDerWaalsContact O-N 3.14Å; M95-S142 VanDerWaalsContact CE-OG 3.27Å; M95-S142 WeakPolarHBondContact CE-OG 3.29Å
96	V	98.8	Very high	98.3	Very high	9 Å²	9	49 Å²	49	6%	0.055	25%	0.252	C	S	.	.	H	α-helix	trans	-72.2	-45	175.7	170.5	0	0	0	0	111.1	L31 A92 D93 R94 E98 A99 V100 I106 A145 E146 Q149	L31-V96 HydrophobicContact CD2-CG2 3.9Å; A92-V96 PolarHBondContact O-N 3.35Å; D93-V96 PolarHBondContact O-N 3.34Å; R94-V96 PolarHBondContact O-N 2.71Å; V96-E98 PolarHBondContact O-N 3.12Å; V96-A99 WeakPolarHBondContact O-CB 3.28Å; V96-A99 PolarHBondContact O-N 2.92Å; V96-V100 VanDerWaalsContact O-CG2 3.29Å; V96-V100 WeakPolarHBondContact O-CG2 3.41Å; V96-V100 PolarHBondContact O-N 2.96Å; V96-I106 HydrophobicContact CB-CD1 4.05Å; V96-I106 HydrophobicContact CG1-CD1 3.8Å; V96-I106 HydrophobicContact CG2-CD1 3.85Å; V96-A145 HydrophobicContact CB-CB 4.32Å; V96-A145 HydrophobicContact CG2-CB 3.68Å; V96-E146 HydrophobicContact CG2-CG 4.19Å; V96-Q149 HydrophobicContact CG1-CB 3.48Å; V96-Q149 VanDerWaalsContact CG1-CB 3.48Å; V96-Q149 HydrophobicContact CG1-CG 3.82Å
97	K	98.7	Very high	98.3	Very high	124 Å²	124	49.1 Å²	49.1	54%	0.539	25%	0.252	S	S	.	.	H	α-helix	trans	-56.8	-50.9	176.5	179.1	-174.1	166	-171.7	0	111.6	D93 R94 A99 V100 E101	D93-K97 WeakPolarHBondContact O-CB 3.28Å; D93-K97 PolarHBondContact O-N 2.82Å; R94-K97 PolarHBondContact O-N 3.44Å; K97-A99 VanDerWaalsContact C-N 3.31Å; K97-A99 PolarHBondContact O-N 2.78Å; K97-V100 WeakPolarHBondContact O-CB 3.34Å; K97-V100 PolarHBondContact O-N 3.17Å; K97-V100 VanDerWaalsContact O-N 3.13Å; K97-E101 WeakPolarHBondContact CE-OE1 3.48Å; K97-E101 HydrophobicContact CG-CG 4.47Å; K97-E101 IonicContact NZ-OE1 2.79Å; K97-E101 WeakPolarHBondContact O-CG 3.45Å; K97-E101 PolarHBondContact O-N 2.83Å
98	E	98.8	Very high	98.4	Very high	47 Å²	47	49.2 Å²	49.2	22%	0.22	25%	0.248	C	C	.	.	H	α-helix	trans	-65.5	-34.3	-179.3	-71.7	-170.2	-140	0	0	112	H80 V82 R94 V96 V100 E101 Q102	H80-E98 IonicContact CD2-OE2 3.67Å; H80-E98 IonicContact CE1-OE2 3.71Å; H80-E98 IonicContact NE2-OE2 3.96Å; H80-E98 PolarHBondContact NE2-OE2 3.03Å; V82-E98 HydrophobicContact CG2-CB 3.92Å; R94-E98 VanDerWaalsContact CD-OE1 3.31Å; R94-E98 WeakPolarHBondContact CD-OE1 3.44Å; R94-E98 HydrophobicContact CG-CG 4.17Å; R94-E98 WeakPolarHBondContact CG-OE1 3.48Å; R94-E98 IonicContact NE-OE1 2.71Å; R94-E98 PolarHBondContact O-N 3.42Å; V96-E98 PolarHBondContact O-N 3.12Å; E98-V100 VanDerWaalsContact C-N 3.32Å; E98-V100 PolarHBondContact O-N 3.43Å; E98-E101 PolarHBondContact O-N 2.91Å; E98-Q102 WeakPolarHBondContact O-CB 3.12Å; E98-Q102 PolarHBondContact O-N 3.18Å
99	A	98.6	Very high	98.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.4	-42.4	172	0	0	0	0	0	112.3	V55 M95 V96 K97 F103 I106	V55-A99 HydrophobicContact CB-CB 4.32Å; V55-A99 HydrophobicContact CG1-CB 4.33Å; V55-A99 HydrophobicContact CG2-CB 3.68Å; M95-A99 WeakPolarHBondContact O-CB 3.39Å; M95-A99 PolarHBondContact O-N 2.89Å; M95-A99 VanDerWaalsContact O-N 3.14Å; V96-A99 WeakPolarHBondContact O-CB 3.28Å; V96-A99 PolarHBondContact O-N 2.92Å; K97-A99 VanDerWaalsContact C-N 3.31Å; K97-A99 PolarHBondContact O-N 2.78Å; A99-F103 PolarHBondContact O-N 2.97Å; A99-I106 HydrophobicContact CB-CD1 3.79Å; A99-I106 HydrophobicContact CB-CG1 3.68Å
100	V	98.5	Very high	98.3	Very high	41 Å²	41	42.3 Å²	42.3	25%	0.248	22%	0.215	C	C	.	.	H	α-helix	trans	-68.6	-43.6	177.4	177.3	0	0	0	0	111.2	V96 K97 E98 Q102 G104 Q149	V96-V100 VanDerWaalsContact O-CG2 3.29Å; V96-V100 WeakPolarHBondContact O-CG2 3.41Å; V96-V100 PolarHBondContact O-N 2.96Å; K97-V100 WeakPolarHBondContact O-CB 3.34Å; K97-V100 PolarHBondContact O-N 3.17Å; K97-V100 VanDerWaalsContact O-N 3.13Å; E98-V100 VanDerWaalsContact C-N 3.32Å; E98-V100 PolarHBondContact O-N 3.43Å; V100-Q102 VanDerWaalsContact C-N 3.32Å; V100-Q102 PolarHBondContact O-N 3.47Å; V100-G104 WeakPolarHBondContact O-CA 3.37Å; V100-G104 PolarHBondContact O-N 3.3Å; V100-Q149 VanDerWaalsContact CG2-CD 3.41Å; V100-Q149 HydrophobicContact CG2-CG 3.75Å
101	E	98.5	Very high	98.3	Very high	130 Å²	130	36.5 Å²	36.5	61%	0.607	19%	0.188	S	C	*	.	H	α-helix	trans	-63.6	-38.6	178.2	-72.6	174.9	161.6	0	0	111.8	K97 E98	K97-E101 WeakPolarHBondContact CE-OE1 3.48Å; K97-E101 HydrophobicContact CG-CG 4.47Å; K97-E101 IonicContact NZ-OE1 2.79Å; K97-E101 WeakPolarHBondContact O-CG 3.45Å; K97-E101 PolarHBondContact O-N 2.83Å; E98-E101 PolarHBondContact O-N 2.91Å
102	Q	97.9	Very high	98.1	Very high	102 Å²	102	36.7 Å²	36.7	48%	0.477	19%	0.189	S	C	.	.	H	α-helix	trans	-82.8	-38	-176	-170.5	63.1	22	0	0	113.6	H80 E98 V100	H80-Q102 HydrophobicContact CB-CG 4Å; E98-Q102 WeakPolarHBondContact O-CB 3.12Å; E98-Q102 PolarHBondContact O-N 3.18Å; V100-Q102 VanDerWaalsContact C-N 3.32Å; V100-Q102 PolarHBondContact O-N 3.47Å
103	F	97.6	Very high	97.5	Very high	27 Å²	27	37.5 Å²	37.5	12%	0.118	20%	0.196	C	C	.	.	H	α-helix	trans	-129.7	6.1	-170	-56.8	-58	0	0	0	114.5	T29 N53 V55 R78 H80 A99 G105	T29-F103 HydrophobicContact CG2-CB 4Å; T29-F103 HydrophobicContact CG2-CD2 3.89Å; T29-F103 HydrophobicContact CG2-CG 4.33Å; T29-F103 VanDerWaalsContact OG1-CB 3.26Å; T29-F103 WeakPolarHBondContact OG1-CB 3.07Å; N53-F103 HydrophobicContact CB-CB 4.24Å; N53-F103 HydrophobicContact CB-CD1 3.68Å; N53-F103 HydrophobicContact CB-CD2 3.82Å; N53-F103 HydrophobicContact CB-CE1 3.88Å; N53-F103 HydrophobicContact CB-CE2 4Å; N53-F103 HydrophobicContact CB-CG 3.65Å; N53-F103 HydrophobicContact CB-CZ 4.03Å; V55-F103 HydrophobicContact CG2-CD2 3.73Å; V55-F103 HydrophobicContact CG2-CE2 3.72Å; R78-F103 HydrophobicContact CB-CE1 3.74Å; R78-F103 HydrophobicContact CB-CZ 4Å; H80-F103 HydrophobicContact CB-CE2 3.94Å; H80-F103 HydrophobicContact CB-CZ 4.21Å; A99-F103 PolarHBondContact O-N 2.97Å; F103-G105 VanDerWaalsContact C-N 3.27Å; F103-G105 PolarHBondContact O-N 3.24Å
104	G	97.5	Very high	96.9	Very high	63 Å²	63	35.7 Å²	35.7	65%	0.649	19%	0.194	S	C	*	.	S	Bend	trans	82.7	-8.7	174.9	0	0	0	0	0	115.3	V100	V100-G104 WeakPolarHBondContact O-CA 3.37Å; V100-G104 PolarHBondContact O-N 3.3Å
105	G	97.9	Very high	96.4	Very high	1 Å²	1	34 Å²	34	1%	0.01	19%	0.192	C	C	.	.			trans	170.5	-176.4	-179.8	0	0	0	0	0	114.1	T29 F103	T29-G105 WeakPolarHBondContact CB-O 3.42Å; T29-G105 VanDerWaalsContact CG2-O 3.22Å; T29-G105 WeakPolarHBondContact CG2-O 3.26Å; T29-G105 PolarHBondContact OG1-O 3.39Å; F103-G105 VanDerWaalsContact C-N 3.27Å; F103-G105 PolarHBondContact O-N 3.24Å
106	I	98.2	Very high	95.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.199	C	C	.	.			trans	-126.6	125.7	172.2	-55.8	177.5	0	0	0	108.7	L31 V96 A99 Y108 M150 Q153	L31-I106 HydrophobicContact CB-CD1 4.3Å; L31-I106 HydrophobicContact CB-CG2 4.26Å; L31-I106 HydrophobicContact CD2-CD1 3.94Å; V96-I106 HydrophobicContact CB-CD1 4.05Å; V96-I106 HydrophobicContact CG1-CD1 3.8Å; V96-I106 HydrophobicContact CG2-CD1 3.85Å; A99-I106 HydrophobicContact CB-CD1 3.79Å; A99-I106 HydrophobicContact CB-CG1 3.68Å; I106-Y108 WeakPolarHBondContact CG2-O 3.37Å; I106-M150 HydrophobicContact CG2-CE 4.04Å; I106-Q153 PolarHBondContact O-NE2 2.94Å
107	D	98.2	Very high	94.6	Very high	13 Å²	13	34.9 Å²	34.9	7%	0.07	20%	0.197	C	C	.	.	S	Bend	trans	-99.1	-36.3	175.1	-58.1	-83.3	0	0	0	111	K28 T29 K155 G157 A158	K28-D107 WeakPolarHBondContact CA-OD2 3.39Å; K28-D107 HydrophobicContact CB-CB 4.29Å; K28-D107 HydrophobicContact CD-CB 4.17Å; T29-D107 PolarHBondContact N-OD2 3.15Å; T29-D107 PolarHBondContact O-N 3.03Å; D107-K155 WeakPolarHBondContact OD1-CE 3.21Å; D107-K155 IonicContact OD1-NZ 3.79Å; D107-K155 PolarHBondContact OD1-NZ 2.98Å; D107-K155 IonicContact OD2-NZ 3.21Å; D107-G157 VanDerWaalsContact O-CA 3.25Å; D107-G157 WeakPolarHBondContact O-CA 3.25Å; D107-A158 PolarHBondContact O-N 3.36Å; D107-A158 VanDerWaalsContact O-N 3.1Å
108	Y	98.3	Very high	93.3	Very high	33 Å²	33	29.9 Å²	29.9	13%	0.129	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	149.7	-175.9	-55	-57.4	0	0	0	112.1	F25 K28 T29 I30 L31 I106 A158 F268	F25-Y108 HydrophobicContact CD1-CD2 4.15Å; F25-Y108 AromaticContact CD1-CE2 3.81Å; F25-Y108 HydrophobicContact CD1-CE2 3.81Å; F25-Y108 HydrophobicContact CE1-CD2 4.44Å; F25-Y108 HydrophobicContact CE1-CE2 4.19Å; K28-Y108 HydrophobicContact CB-CD2 4.06Å; K28-Y108 HydrophobicContact CB-CE2 3.76Å; K28-Y108 HydrophobicContact CD-CE2 4.33Å; K28-Y108 HydrophobicContact CG-CE2 3.8Å; T29-Y108 PolarHBondContact O-N 2.86Å; I30-Y108 CarbonylContact C-O 3.19Å; I30-Y108 VanDerWaalsContact CA-O 3.29Å; I30-Y108 WeakPolarHBondContact CA-O 3.22Å; I30-Y108 HydrophobicContact CD1-CD2 3.92Å; I30-Y108 HydrophobicContact CD1-CG 4.47Å; I30-Y108 HydrophobicContact CG1-CD2 3.93Å; I30-Y108 HydrophobicContact CG1-CG 4.44Å; L31-Y108 PolarHBondContact N-O 3.1Å; I106-Y108 WeakPolarHBondContact CG2-O 3.37Å; Y108-A158 CarbonylContact C-O 3.55Å; Y108-A158 WeakPolarHBondContact CA-O 3.3Å; Y108-A158 HydrophobicContact CD1-CB 3.87Å; Y108-A158 HydrophobicContact CE1-CB 4.15Å; Y108-F268 HydrophobicContact CD1-CB 3.98Å; Y108-F268 AromaticContact CD1-CD1 3.53Å; Y108-F268 HydrophobicContact CD1-CD1 3.53Å; Y108-F268 HydrophobicContact CD1-CE1 4.21Å; Y108-F268 AromaticContact CD1-CG 3.89Å; Y108-F268 HydrophobicContact CD1-CG 3.89Å; Y108-F268 HydrophobicContact CD2-CG 4.45Å; Y108-F268 HydrophobicContact CE1-CB 3.96Å; Y108-F268 HydrophobicContact CE1-CD1 4.31Å; Y108-F268 HydrophobicContact CE1-CG 4.38Å; Y108-F268 WeakPolarHBondContact CE1-O 3.4Å; Y108-F268 HydrophobicContact CG-CB 4.29Å; Y108-F268 AromaticContact CG-CD1 3.76Å; Y108-F268 HydrophobicContact CG-CD1 3.76Å; Y108-F268 HydrophobicContact CG-CD2 4.43Å; Y108-F268 HydrophobicContact CG-CE1 4.15Å; Y108-F268 AromaticContact CG-CG 3.93Å; Y108-F268 HydrophobicContact CG-CG 3.93Å
109	A	98.2	Very high	92.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	145.6	171.2	0	0	0	0	0	112.5	L31 E146 A158 I159 V160	L31-A109 HydrophobicContact CB-CB 4.41Å; L31-A109 CarbonylContact O-C 3.38Å; L31-A109 VanDerWaalsContact O-CA 3.25Å; L31-A109 WeakPolarHBondContact O-CA 3.16Å; A109-E146 HydrophobicContact CB-CG 3.97Å; A109-E146 WeakPolarHBondContact CB-OE1 3.02Å; A109-A158 PolarHBondContact N-O 2.88Å; A109-I159 HydrophobicContact CB-CG1 4.09Å; A109-I159 HydrophobicContact CB-CG2 4.16Å; A109-I159 WeakPolarHBondContact O-CA 3.4Å; A109-V160 PolarHBondContact O-N 2.83Å
110	L	97.6	Very high	91.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	108.5	171.2	178.9	67.9	0	0	0	109.6	L31 I32 T33 V43 N112 V160 V162 V264	L31-L110 PolarHBondContact O-N 3.42Å; I32-L110 HydrophobicContact CG1-CB 4.18Å; I32-L110 HydrophobicContact CG2-CB 4.38Å; I32-L110 HydrophobicContact CG2-CD2 4.07Å; T33-L110 PolarHBondContact N-O 3Å; T33-L110 PolarHBondContact OG1-O 2.94Å; V43-L110 HydrophobicContact CB-CD2 3.97Å; V43-L110 HydrophobicContact CG1-CD2 3.84Å; V43-L110 HydrophobicContact CG2-CD2 3.96Å; L110-N112 HydrophobicContact CD2-CB 4.01Å; L110-N112 HydrophobicContact CG-CB 3.88Å; L110-N112 PolarHBondContact O-N 3.17Å; L110-V160 CarbonylContact C-O 3.35Å; L110-V160 WeakPolarHBondContact CA-O 3.38Å; L110-V160 HydrophobicContact CD1-CB 3.9Å; L110-V160 HydrophobicContact CD1-CG1 3.85Å; L110-V162 HydrophobicContact CD1-CG2 3.74Å; L110-V162 HydrophobicContact CG-CG2 4.42Å; L110-V264 HydrophobicContact CD1-CG1 3.92Å; L110-V264 HydrophobicContact CD1-CG2 3.97Å; L110-V264 HydrophobicContact CD2-CG1 4.31Å; L110-V264 HydrophobicContact CD2-CG2 4.33Å
111	N	97.5	Very high	90.9	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.011	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	88.6	173.4	-71.7	-48.4	0	0	0	110.3	T33 V139 S142 E146 V160 N161 V162	T33-N111 WeakPolarHBondContact OG1-CA 3.38Å; N111-V139 HydrophobicContact CB-CG1 4.39Å; N111-V139 HydrophobicContact CB-CG2 4.26Å; N111-S142 WeakPolarHBondContact OD1-CB 3.18Å; N111-S142 PolarHBondContact OD1-OG 3.08Å; N111-E146 PolarHBondContact ND2-OE2 3.13Å; N111-E146 PolarHBondContact OD1-OE1 2.94Å; N111-V160 PolarHBondContact N-O 2.77Å; N111-N161 WeakPolarHBondContact CB-OD1 3.41Å; N111-N161 PolarHBondContact ND2-OD1 3.03Å; N111-V162 PolarHBondContact O-N 3.35Å
112	N	93.9	Very high	90.1	Very high	25 Å²	25	38.9 Å²	38.9	13%	0.134	22%	0.221	C	C	.	.			trans	-110.2	-20.3	-172.5	158.3	86.5	0	0	0	114.4	T33 G34 L110 G114 V162	T33-N112 VanDerWaalsContact O-CB 3.25Å; T33-N112 WeakPolarHBondContact O-CB 3.39Å; T33-N112 PolarHBondContact O-ND2 3.34Å; T33-N112 VanDerWaalsContact O-ND2 3.13Å; T33-N112 PolarHBondContact OG1-N 2.78Å; G34-N112 PolarHBondContact O-ND2 2.94Å; L110-N112 HydrophobicContact CD2-CB 4.01Å; L110-N112 HydrophobicContact CG-CB 3.88Å; L110-N112 PolarHBondContact O-N 3.17Å; N112-G114 PolarHBondContact O-N 3.1Å; N112-V162 HydrophobicContact CB-CB 4.38Å; N112-V162 HydrophobicContact CB-CG2 3.62Å
113	A	87.5	Confident	89.4	Confident	18 Å²	18	35.2 Å²	35.2	15%	0.149	21%	0.208	C	C	.	.			trans	-53.8	136.1	-179.6	0	0	0	0	0	112.3	T33 V86	T33-A113 PolarHBondContact O-N 2.78Å; T33-A113 PolarHBondContact OG1-N 2.85Å; V86-A113 HydrophobicContact CG1-CB 4.15Å; V86-A113 HydrophobicContact CG2-CB 3.91Å
114	G	86.3	Confident	88.9	Confident	34 Å²	34	37.3 Å²	37.3	35%	0.351	22%	0.223	S	C	.	.			trans	-175	159.3	178.2	0	0	0	0	0	114.8	N112 N135	N112-G114 PolarHBondContact O-N 3.1Å; G114-N135 WeakPolarHBondContact CA-OD1 3.25Å
115	V	87.6	Confident	88.7	Confident	44 Å²	44	40.7 Å²	40.7	27%	0.267	23%	0.226	S	C	.	.			trans	-132.5	163.7	-179.2	-65.3	0	0	0	0	111	V131 I134 N135 Y177	V115-V131 HydrophobicContact CG2-CB 4.47Å; V115-V131 HydrophobicContact CG2-CG2 4.1Å; V115-I134 HydrophobicContact CG1-CD1 4.07Å; V115-I134 HydrophobicContact CG1-CG2 4.39Å; V115-I134 HydrophobicContact CG2-CB 4.15Å; V115-I134 HydrophobicContact CG2-CD1 4Å; V115-I134 HydrophobicContact CG2-CG2 4.22Å; V115-N135 PolarHBondContact N-OD1 3.46Å; V115-N135 PolarHBondContact O-ND2 3.16Å; V115-N135 PolarHBondContact O-OD1 2.9Å; V115-Y177 VanDerWaalsContact O-CD2 3.25Å; V115-Y177 WeakPolarHBondContact O-CD2 3.44Å
116	L	81.3	Confident	88.4	Confident	28 Å²	28	47.3 Å²	47.3	15%	0.147	26%	0.257	C	S	.	.			trans	-104.2	-172.7	-177.5	-103.9	149.6	0	0	0	113.4	Y127 V131 F174 Y177 M214 I218	L116-Y127 WeakPolarHBondContact O-CE1 3.19Å; L116-Y127 VanDerWaalsContact O-CZ 3.26Å; L116-Y127 PolarHBondContact O-OH 2.97Å; L116-V131 VanDerWaalsContact O-CG2 3.3Å; L116-V131 WeakPolarHBondContact O-CG2 3.24Å; L116-F174 HydrophobicContact CD2-CD1 3.48Å; L116-F174 VanDerWaalsContact CD2-CD1 3.48Å; L116-F174 HydrophobicContact CD2-CE1 3.71Å; L116-F174 HydrophobicContact CD2-CG 3.97Å; L116-F174 HydrophobicContact CD2-CZ 4.37Å; L116-Y177 HydrophobicContact CD2-CD1 4.43Å; L116-Y177 HydrophobicContact CD2-CD2 4.38Å; L116-Y177 HydrophobicContact CD2-CG 4.2Å; L116-Y177 HydrophobicContact CG-CD2 4.37Å; L116-M214 HydrophobicContact CB-CE 4.18Å; L116-M214 HydrophobicContact CD1-CE 3.31Å; L116-M214 HydrophobicContact CD1-CG 3.24Å; L116-M214 HydrophobicContact CD1-SD 4.02Å; L116-M214 HydrophobicContact CD2-CE 4.43Å; L116-M214 HydrophobicContact CG-CE 3.33Å; L116-M214 HydrophobicContact CG-CG 4.29Å; L116-I218 HydrophobicContact CD1-CD1 3.34Å; L116-I218 HydrophobicContact CD1-CG1 3.45Å; L116-I218 VanDerWaalsContact CD1-CG1 3.45Å; L116-I218 HydrophobicContact CD2-CD1 4.16Å; L116-I218 HydrophobicContact CD2-CG1 4.4Å; L116-I218 HydrophobicContact CG-CD1 4.4Å
117	D	77.7	Confident	87.8	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.272	C	S	.	.			trans	-135.4	162.4	-172.9	-161.2	6.3	0	0	0	117.2	Y127 V131 F174 P175 A176	D117-Y127 WeakPolarHBondContact CA-OH 3.24Å; D117-Y127 HydrophobicContact CB-CE1 3.7Å; D117-Y127 PolarHBondContact N-OH 3.27Å; D117-Y127 WeakPolarHBondContact OD1-CD1 3.33Å; D117-Y127 WeakPolarHBondContact OD1-CE1 3.25Å; D117-V131 HydrophobicContact CB-CG2 4.43Å; D117-F174 HydrophobicContact CB-CB 4.44Å; D117-F174 VanDerWaalsContact O-CD1 3.28Å; D117-F174 WeakPolarHBondContact O-CD1 3.37Å; D117-P175 VanDerWaalsContact OD2-CD 3.31Å; D117-P175 WeakPolarHBondContact OD2-CD 3.09Å; D117-P175 WeakPolarHBondContact OD2-CG 3.03Å; D117-A176 HydrophobicContact CB-CB 4.46Å; D117-A176 WeakPolarHBondContact OD2-CA 3.16Å; D117-A176 WeakPolarHBondContact OD2-CB 3.28Å; D117-A176 PolarHBondContact OD2-N 3.46Å
118	A	72.3	Confident	87.6	Confident	19 Å²	19	55.5 Å²	55.5	16%	0.157	29%	0.287	C	S	.	.			trans	-83	163.8	162.2	0	0	0	0	0	111.7	S173 P175	A118-S173 CarbonylContact C-O 3.59Å; A118-P175 WeakPolarHBondContact O-CD 3.19Å
119	P	78.6	Confident	87.4	Confident	18 Å²	18	58.4 Å²	58.4	12%	0.117	30%	0.302	C	S	.	.			trans	-70	154.7	175	31	-36.8	0	0	0	111.4	H121 K122 A123 R225	P119-H121 PolarHBondContact O-N 3.19Å; P119-K122 HydrophobicContact CG-CB 4.05Å; P119-K122 HydrophobicContact CG-CD 4.12Å; P119-K122 HydrophobicContact CG-CG 4.12Å; P119-K122 CarbonylContact O-C 3.42Å; P119-K122 WeakPolarHBondContact O-CA 3.47Å; P119-K122 PolarHBondContact O-N 3.32Å; P119-A123 PolarHBondContact O-N 2.87Å; P119-R225 VanDerWaalsContact CD-NH2 3.28Å
120	L	82.1	Confident	87.2	Confident	123 Å²	123	64.3 Å²	64.3	64%	0.644	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-52.2	-46.3	-169.2	-172.1	63.3	0	0	0	115.5	K122 A123 P175	L120-K122 PolarHBondContact O-N 2.88Å; L120-A123 PolarHBondContact O-N 3.28Å; L120-P175 HydrophobicContact CB-CB 4.31Å; L120-P175 HydrophobicContact CB-CG 3.9Å; L120-P175 HydrophobicContact CD1-CB 3.8Å; L120-P175 HydrophobicContact CD1-CG 3.76Å; L120-P175 HydrophobicContact CG-CG 4.44Å
121	H	84.4	Confident	87.1	Confident	155 Å²	155	64.4 Å²	64.4	72%	0.718	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-72.3	-6.4	179.8	67.9	-79.7	0	0	0	114.2	P119	P119-H121 PolarHBondContact O-N 3.19Å
122	K	82.5	Confident	87.1	Confident	111 Å²	111	66.3 Å²	66.3	48%	0.483	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-116.5	-0.6	173.1	-58.9	-172	175.5	-171.9	0	112.1	P119 L120 T124 E228	P119-K122 HydrophobicContact CG-CB 4.05Å; P119-K122 HydrophobicContact CG-CD 4.12Å; P119-K122 HydrophobicContact CG-CG 4.12Å; P119-K122 CarbonylContact O-C 3.42Å; P119-K122 WeakPolarHBondContact O-CA 3.47Å; P119-K122 PolarHBondContact O-N 3.32Å; L120-K122 PolarHBondContact O-N 2.88Å; K122-T124 PolarHBondContact O-N 2.92Å; K122-E228 IonicContact NZ-OE2 3.12Å; K122-E228 PolarHBondContact NZ-OE2 3.18Å; K122-E228 VanDerWaalsContact NZ-OE2 3.12Å
123	A	81.4	Confident	87.2	Confident	25 Å²	25	67.9 Å²	67.9	21%	0.207	35%	0.346	C	S	.	.			trans	-75.9	119.2	178	0	0	0	0	0	108.1	P119 L120	P119-A123 PolarHBondContact O-N 2.87Å; L120-A123 PolarHBondContact O-N 3.28Å
124	T	88.9	Confident	87.7	Confident	71 Å²	71	68.3 Å²	68.3	44%	0.436	35%	0.345	S	S	.	.			trans	-84.1	161.8	173.7	79	0	0	0	0	110.1	K122 E126 Y127 W128	K122-T124 PolarHBondContact O-N 2.92Å; T124-E126 VanDerWaalsContact C-N 3.3Å; T124-E126 WeakPolarHBondContact CB-OE2 3.26Å; T124-E126 PolarHBondContact O-N 3.06Å; T124-E126 PolarHBondContact OG1-OE2 3.03Å; T124-Y127 WeakPolarHBondContact O-CB 2.97Å; T124-Y127 PolarHBondContact O-N 3.13Å; T124-Y127 PolarHBondContact OG1-N 3.29Å; T124-W128 PolarHBondContact O-N 3.13Å
125	D	92.6	Very high	88.2	Confident	134 Å²	134	66.7 Å²	66.7	72%	0.717	33%	0.329	S	S	*	.	H	α-helix	trans	-61.4	-40.6	177.8	-67.7	-16.2	0	0	0	111.3	Y127 W128 Q129	D125-Y127 VanDerWaalsContact C-N 3.26Å; D125-Y127 PolarHBondContact O-N 3.11Å; D125-W128 PolarHBondContact O-N 3.42Å; D125-Q129 VanDerWaalsContact O-CB 3.29Å; D125-Q129 WeakPolarHBondContact O-CB 3.46Å; D125-Q129 PolarHBondContact O-N 2.9Å
126	E	91.1	Very high	88.6	Confident	139 Å²	139	65.2 Å²	65.2	65%	0.65	32%	0.321	S	S	*	.	H	α-helix	trans	-62.4	-38.7	177.3	-55.5	76.1	-164.8	0	0	111.2	T124 K130	T124-E126 VanDerWaalsContact C-N 3.3Å; T124-E126 WeakPolarHBondContact CB-OE2 3.26Å; T124-E126 PolarHBondContact O-N 3.06Å; T124-E126 PolarHBondContact OG1-OE2 3.03Å; E126-K130 WeakPolarHBondContact O-CB 3.26Å; E126-K130 PolarHBondContact O-N 2.92Å
127	Y	86	Confident	89.4	Confident	83 Å²	83	64.6 Å²	64.6	33%	0.325	32%	0.322	S	S	.	.	H	α-helix	trans	-67.5	-49.8	178.4	-165.9	-72.4	0	0	0	111.2	L116 D117 T124 D125 Q129 K130 V131	L116-Y127 WeakPolarHBondContact O-CE1 3.19Å; L116-Y127 VanDerWaalsContact O-CZ 3.26Å; L116-Y127 PolarHBondContact O-OH 2.97Å; D117-Y127 WeakPolarHBondContact CA-OH 3.24Å; D117-Y127 HydrophobicContact CB-CE1 3.7Å; D117-Y127 PolarHBondContact N-OH 3.27Å; D117-Y127 WeakPolarHBondContact OD1-CD1 3.33Å; D117-Y127 WeakPolarHBondContact OD1-CE1 3.25Å; T124-Y127 WeakPolarHBondContact O-CB 2.97Å; T124-Y127 PolarHBondContact O-N 3.13Å; T124-Y127 PolarHBondContact OG1-N 3.29Å; D125-Y127 VanDerWaalsContact C-N 3.26Å; D125-Y127 PolarHBondContact O-N 3.11Å; Y127-Q129 VanDerWaalsContact C-N 3.29Å; Y127-Q129 PolarHBondContact O-N 2.63Å; Y127-K130 PolarHBondContact O-N 2.98Å; Y127-V131 HydrophobicContact CD1-CG2 3.88Å; Y127-V131 HydrophobicContact CE1-CG2 3.32Å; Y127-V131 PolarHBondContact O-N 3.08Å
128	W	93.3	Very high	90.4	Very high	103 Å²	103	64.7 Å²	64.7	39%	0.39	32%	0.323	S	S	.	.	H	α-helix	trans	-53.3	-50.7	176	170.7	-89.5	0	0	0	110.7	T124 D125 K130 V131 M132 A176 A179	T124-W128 PolarHBondContact O-N 3.13Å; D125-W128 PolarHBondContact O-N 3.42Å; W128-K130 PolarHBondContact O-N 3.04Å; W128-V131 PolarHBondContact O-N 3.37Å; W128-M132 HydrophobicContact CD2-CG 4.33Å; W128-M132 HydrophobicContact CZ2-CG 4.09Å; W128-M132 HydrophobicContact CZ2-SD 4.29Å; W128-M132 WeakPolarHBondContact O-CG 3.42Å; W128-M132 PolarHBondContact O-N 2.89Å; W128-A176 HydrophobicContact CD2-CB 4.14Å; W128-A176 HydrophobicContact CE3-CB 3.47Å; W128-A176 VanDerWaalsContact CE3-CB 3.47Å; W128-A176 HydrophobicContact CZ3-CB 3.81Å; W128-A179 HydrophobicContact CH2-CB 3.81Å; W128-A179 HydrophobicContact CZ3-CB 4.39Å
129	Q	95.2	Very high	91.7	Very high	94 Å²	94	64 Å²	64	44%	0.439	32%	0.316	S	S	.	.	H	α-helix	trans	-59.5	-47.3	-179.1	-170.3	58.2	49	0	0	111	D125 Y127 V131 M132 D133	D125-Q129 VanDerWaalsContact O-CB 3.29Å; D125-Q129 WeakPolarHBondContact O-CB 3.46Å; D125-Q129 PolarHBondContact O-N 2.9Å; Y127-Q129 VanDerWaalsContact C-N 3.29Å; Y127-Q129 PolarHBondContact O-N 2.63Å; Q129-V131 PolarHBondContact O-N 3.02Å; Q129-M132 PolarHBondContact O-N 3.16Å; Q129-D133 WeakPolarHBondContact CG-OD2 3.4Å; Q129-D133 PolarHBondContact NE2-OD1 3.43Å; Q129-D133 PolarHBondContact NE2-OD2 3.2Å; Q129-D133 VanDerWaalsContact O-CB 3.3Å; Q129-D133 WeakPolarHBondContact O-CB 3.42Å; Q129-D133 VanDerWaalsContact O-CG 3.27Å; Q129-D133 PolarHBondContact O-N 3.19Å
130	K	94.3	Very high	92.6	Very high	124 Å²	124	67.8 Å²	67.8	54%	0.539	33%	0.331	S	S	.	.	H	α-helix	trans	-58.5	-44.6	177.8	-179.3	171.7	-178.9	172.7	0	113	E126 Y127 W128 I134	E126-K130 WeakPolarHBondContact O-CB 3.26Å; E126-K130 PolarHBondContact O-N 2.92Å; Y127-K130 PolarHBondContact O-N 2.98Å; W128-K130 PolarHBondContact O-N 3.04Å; K130-I134 HydrophobicContact CG-CD1 3.84Å; K130-I134 WeakPolarHBondContact O-CB 3.41Å; K130-I134 WeakPolarHBondContact O-CG1 3.25Å; K130-I134 PolarHBondContact O-N 2.8Å; K130-I134 VanDerWaalsContact O-N 3.13Å
131	V	94.4	Very high	93.4	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-65.3	-45.8	178.2	175.2	0	0	0	0	110.9	V115 L116 D117 Y127 W128 Q129 I134 N135 A176	V115-V131 HydrophobicContact CG2-CB 4.47Å; V115-V131 HydrophobicContact CG2-CG2 4.1Å; L116-V131 VanDerWaalsContact O-CG2 3.3Å; L116-V131 WeakPolarHBondContact O-CG2 3.24Å; D117-V131 HydrophobicContact CB-CG2 4.43Å; Y127-V131 HydrophobicContact CD1-CG2 3.88Å; Y127-V131 HydrophobicContact CE1-CG2 3.32Å; Y127-V131 PolarHBondContact O-N 3.08Å; W128-V131 PolarHBondContact O-N 3.37Å; Q129-V131 PolarHBondContact O-N 3.02Å; V131-I134 PolarHBondContact O-N 2.71Å; V131-N135 VanDerWaalsContact O-CB 3.23Å; V131-N135 WeakPolarHBondContact O-CB 3.32Å; V131-N135 PolarHBondContact O-N 2.93Å; V131-A176 HydrophobicContact CB-CB 3.76Å; V131-A176 HydrophobicContact CG1-CB 3.73Å; V131-A176 HydrophobicContact CG2-CB 4.23Å
132	M	97	Very high	94.1	Very high	43 Å²	43	56 Å²	56	21%	0.212	27%	0.273	C	S	.	.	H	α-helix	trans	-63.6	-43.5	179.7	-71	-57.6	-62.9	0	0	111.4	W128 Q129 I134 A136 G137 A179	W128-M132 HydrophobicContact CD2-CG 4.33Å; W128-M132 HydrophobicContact CZ2-CG 4.09Å; W128-M132 HydrophobicContact CZ2-SD 4.29Å; W128-M132 WeakPolarHBondContact O-CG 3.42Å; W128-M132 PolarHBondContact O-N 2.89Å; Q129-M132 PolarHBondContact O-N 3.16Å; M132-I134 VanDerWaalsContact C-N 3.35Å; M132-I134 PolarHBondContact O-N 3.08Å; M132-A136 HydrophobicContact CE-CB 4.1Å; M132-A136 PolarHBondContact O-N 2.94Å; M132-G137 PolarHBondContact O-N 3.38Å; M132-A179 HydrophobicContact SD-CB 4.33Å
133	D	97.6	Very high	94.9	Very high	58 Å²	58	50.9 Å²	50.9	31%	0.31	25%	0.251	S	S	.	.	H	α-helix	trans	-64.2	-36.6	-179.5	-77.5	-24	0	0	0	113.3	Q129 G137 G138	Q129-D133 WeakPolarHBondContact CG-OD2 3.4Å; Q129-D133 PolarHBondContact NE2-OD1 3.43Å; Q129-D133 PolarHBondContact NE2-OD2 3.2Å; Q129-D133 VanDerWaalsContact O-CB 3.3Å; Q129-D133 WeakPolarHBondContact O-CB 3.42Å; Q129-D133 VanDerWaalsContact O-CG 3.27Å; Q129-D133 PolarHBondContact O-N 3.19Å; D133-G137 CarbonylContact O-C 3.55Å; D133-G137 VanDerWaalsContact O-CA 3.3Å; D133-G137 WeakPolarHBondContact O-CA 3.29Å; D133-G138 PolarHBondContact O-N 3.43Å
134	I	97	Very high	95.7	Very high	26 Å²	26	54.1 Å²	54.1	13%	0.133	26%	0.258	C	S	.	.	H	α-helix	trans	-83	-54.8	178.6	-64.9	169.6	0	0	0	110.6	V86 V115 K130 V131 M132 G138	V86-I134 HydrophobicContact CG2-CG2 4.2Å; V115-I134 HydrophobicContact CG1-CD1 4.07Å; V115-I134 HydrophobicContact CG1-CG2 4.39Å; V115-I134 HydrophobicContact CG2-CB 4.15Å; V115-I134 HydrophobicContact CG2-CD1 4Å; V115-I134 HydrophobicContact CG2-CG2 4.22Å; K130-I134 HydrophobicContact CG-CD1 3.84Å; K130-I134 WeakPolarHBondContact O-CB 3.41Å; K130-I134 WeakPolarHBondContact O-CG1 3.25Å; K130-I134 PolarHBondContact O-N 2.8Å; K130-I134 VanDerWaalsContact O-N 3.13Å; V131-I134 PolarHBondContact O-N 2.71Å; M132-I134 VanDerWaalsContact C-N 3.35Å; M132-I134 PolarHBondContact O-N 3.08Å; I134-G138 VanDerWaalsContact O-CA 3.23Å; I134-G138 WeakPolarHBondContact O-CA 3.41Å; I134-G138 PolarHBondContact O-N 2.73Å; I134-G138 VanDerWaalsContact O-N 3.13Å
135	N	96	Very high	96.2	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-76.8	-39	-168	-71.1	4.4	0	0	0	113.4	G114 V115 V131 V139 Y177 S180 V184	G114-N135 WeakPolarHBondContact CA-OD1 3.25Å; V115-N135 PolarHBondContact N-OD1 3.46Å; V115-N135 PolarHBondContact O-ND2 3.16Å; V115-N135 PolarHBondContact O-OD1 2.9Å; V131-N135 VanDerWaalsContact O-CB 3.23Å; V131-N135 WeakPolarHBondContact O-CB 3.32Å; V131-N135 PolarHBondContact O-N 2.93Å; N135-V139 VanDerWaalsContact O-CG2 3.22Å; N135-V139 WeakPolarHBondContact O-CG2 3.27Å; N135-Y177 WeakPolarHBondContact ND2-CD2 3.23Å; N135-S180 VanDerWaalsContact CB-CB 3.45Å; N135-S180 WeakPolarHBondContact CB-OG 3.36Å; N135-S180 PolarHBondContact ND2-OG 3.11Å; N135-S180 VanDerWaalsContact ND2-OG 3.16Å; N135-V184 WeakPolarHBondContact O-CG2 3.3Å
136	A	97.7	Very high	96.5	Very high	14 Å²	14	44.6 Å²	44.6	12%	0.116	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-50.5	-179.9	0	0	0	0	0	110.4	M132 G138 V139 F140 A183	M132-A136 HydrophobicContact CE-CB 4.1Å; M132-A136 PolarHBondContact O-N 2.94Å; A136-G138 VanDerWaalsContact C-N 3.28Å; A136-G138 PolarHBondContact O-N 3.48Å; A136-V139 PolarHBondContact O-N 3.37Å; A136-F140 WeakPolarHBondContact O-CB 3.5Å; A136-F140 PolarHBondContact O-N 3.43Å; A136-A183 HydrophobicContact CB-CB 3.85Å
137	G	98.4	Very high	96.8	Very high	15 Å²	15	38.2 Å²	38.2	16%	0.155	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-34.2	177.1	0	0	0	0	0	112.8	M132 D133 K141	M132-G137 PolarHBondContact O-N 3.38Å; D133-G137 CarbonylContact O-C 3.55Å; D133-G137 VanDerWaalsContact O-CA 3.3Å; D133-G137 WeakPolarHBondContact O-CA 3.29Å; G137-K141 VanDerWaalsContact O-CG 3.24Å; G137-K141 WeakPolarHBondContact O-CG 3.42Å; G137-K141 PolarHBondContact O-N 3.44Å; G137-K141 VanDerWaalsContact O-N 3.08Å; G137-K141 PolarHBondContact O-NZ 3.27Å
138	G	98.5	Very high	97.4	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-71	-48.1	177.6	0	0	0	0	0	111.6	V86 D133 I134 A136 F140 K141 S142	V86-G138 VanDerWaalsContact O-CA 3.25Å; V86-G138 WeakPolarHBondContact O-CA 3.46Å; D133-G138 PolarHBondContact O-N 3.43Å; I134-G138 VanDerWaalsContact O-CA 3.23Å; I134-G138 WeakPolarHBondContact O-CA 3.41Å; I134-G138 PolarHBondContact O-N 2.73Å; I134-G138 VanDerWaalsContact O-N 3.13Å; A136-G138 VanDerWaalsContact C-N 3.28Å; A136-G138 PolarHBondContact O-N 3.48Å; G138-F140 VanDerWaalsContact C-N 3.27Å; G138-F140 PolarHBondContact O-N 3.4Å; G138-K141 PolarHBondContact O-N 3.3Å; G138-S142 WeakPolarHBondContact O-CB 3.22Å; G138-S142 PolarHBondContact O-N 3.31Å; G138-S142 PolarHBondContact O-OG 3.13Å; G138-S142 VanDerWaalsContact O-OG 3.1Å
139	V	98.2	Very high	97.7	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.024	17%	0.171	C	C	.	.	H	α-helix	trans	-58.3	-41.2	174.6	177.3	0	0	0	0	111.2	N111 N135 A136 L143 N161 V184 L187	N111-V139 HydrophobicContact CB-CG1 4.39Å; N111-V139 HydrophobicContact CB-CG2 4.26Å; N135-V139 VanDerWaalsContact O-CG2 3.22Å; N135-V139 WeakPolarHBondContact O-CG2 3.27Å; A136-V139 PolarHBondContact O-N 3.37Å; V139-L143 HydrophobicContact CG1-CD1 3.79Å; V139-L143 HydrophobicContact CG1-CG 4.22Å; V139-L143 VanDerWaalsContact O-CB 3.24Å; V139-L143 WeakPolarHBondContact O-CB 3.34Å; V139-L143 VanDerWaalsContact O-CG 3.27Å; V139-L143 WeakPolarHBondContact O-CG 3.3Å; V139-L143 PolarHBondContact O-N 3.47Å; V139-N161 HydrophobicContact CG1-CB 4.33Å; V139-V184 HydrophobicContact CB-CG2 4.26Å; V139-V184 HydrophobicContact CG1-CG1 4.49Å; V139-V184 HydrophobicContact CG2-CG2 3.9Å; V139-L187 HydrophobicContact CG1-CD2 4.14Å
140	F	98.8	Very high	97.9	Very high	98 Å²	98	30.7 Å²	30.7	43%	0.43	15%	0.15	S	C	.	.	H	α-helix	trans	-60	-48.7	175.2	170.6	-100.7	0	0	0	113.3	A136 G138 R144 L187	A136-F140 WeakPolarHBondContact O-CB 3.5Å; A136-F140 PolarHBondContact O-N 3.43Å; G138-F140 VanDerWaalsContact C-N 3.27Å; G138-F140 PolarHBondContact O-N 3.4Å; F140-R144 WeakPolarHBondContact O-CB 3.44Å; F140-R144 PolarHBondContact O-N 2.76Å; F140-L187 HydrophobicContact CB-CD2 3.84Å; F140-L187 HydrophobicContact CD2-CD1 4.32Å; F140-L187 HydrophobicContact CD2-CD2 4.41Å
141	K	98.8	Very high	98.1	Very high	30 Å²	30	27.7 Å²	27.7	13%	0.13	14%	0.14	C	C	.	.	H	α-helix	trans	-67.1	-43.1	-179	-68.3	176.7	-158.9	87.5	0	111.2	S87 A92 G137 G138 R144 A145	S87-K141 WeakPolarHBondContact O-CD 3.49Å; S87-K141 WeakPolarHBondContact O-CE 3.23Å; S87-K141 PolarHBondContact O-NZ 3Å; A92-K141 HydrophobicContact CB-CB 3.91Å; G137-K141 VanDerWaalsContact O-CG 3.24Å; G137-K141 WeakPolarHBondContact O-CG 3.42Å; G137-K141 PolarHBondContact O-N 3.44Å; G137-K141 VanDerWaalsContact O-N 3.08Å; G137-K141 PolarHBondContact O-NZ 3.27Å; G138-K141 PolarHBondContact O-N 3.3Å; K141-R144 PolarHBondContact O-N 2.69Å; K141-A145 PolarHBondContact O-N 3.39Å; K141-A145 VanDerWaalsContact O-N 3.11Å
142	S	98.7	Very high	98.3	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.007	18%	0.175	C	C	.	.	H	α-helix	trans	-60	-52.5	175	-62	0	0	0	0	112	M95 N111 G138 R144 A145 E146	M95-S142 VanDerWaalsContact CE-OG 3.27Å; M95-S142 WeakPolarHBondContact CE-OG 3.29Å; N111-S142 WeakPolarHBondContact OD1-CB 3.18Å; N111-S142 PolarHBondContact OD1-OG 3.08Å; G138-S142 WeakPolarHBondContact O-CB 3.22Å; G138-S142 PolarHBondContact O-N 3.31Å; G138-S142 PolarHBondContact O-OG 3.13Å; G138-S142 VanDerWaalsContact O-OG 3.1Å; S142-R144 VanDerWaalsContact C-N 3.27Å; S142-R144 PolarHBondContact O-N 3.25Å; S142-A145 PolarHBondContact O-N 3.24Å; S142-A145 VanDerWaalsContact O-N 3.13Å; S142-E146 WeakPolarHBondContact O-CB 3.27Å; S142-E146 WeakPolarHBondContact O-CG 3.4Å; S142-E146 PolarHBondContact O-N 2.89Å
143	L	98.5	Very high	98.3	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-53.8	-46.8	177	-82.7	170.4	0	0	0	111.1	V139 A145 E146 L147 I159 L187 V202	V139-L143 HydrophobicContact CG1-CD1 3.79Å; V139-L143 HydrophobicContact CG1-CG 4.22Å; V139-L143 VanDerWaalsContact O-CB 3.24Å; V139-L143 WeakPolarHBondContact O-CB 3.34Å; V139-L143 VanDerWaalsContact O-CG 3.27Å; V139-L143 WeakPolarHBondContact O-CG 3.3Å; V139-L143 PolarHBondContact O-N 3.47Å; L143-A145 PolarHBondContact O-N 2.99Å; L143-E146 PolarHBondContact O-N 2.86Å; L143-L147 HydrophobicContact CB-CD1 4.13Å; L143-L147 HydrophobicContact CD2-CD1 4.35Å; L143-L147 WeakPolarHBondContact O-CB 3.31Å; L143-L147 VanDerWaalsContact O-CD1 3.28Å; L143-L147 WeakPolarHBondContact O-CD1 3.3Å; L143-L147 WeakPolarHBondContact O-CG 3.23Å; L143-L147 PolarHBondContact O-N 3.39Å; L143-I159 HydrophobicContact CD2-CB 4.32Å; L143-I159 HydrophobicContact CD2-CD1 3.88Å; L143-I159 HydrophobicContact CD2-CG2 3.67Å; L143-L187 HydrophobicContact CD1-CD1 4.46Å; L143-L187 HydrophobicContact CD1-CD2 3.63Å; L143-L187 HydrophobicContact CD1-CG 3.65Å; L143-V202 HydrophobicContact CD2-CG1 4.11Å
144	R	98.7	Very high	98.3	Very high	93 Å²	93	36.4 Å²	36.4	35%	0.351	19%	0.193	S	C	.	.	H	α-helix	trans	-58.4	-47.4	-180	-176.3	176.5	64.4	-172.4	-2.6	111.7	T89 F140 K141 S142 N148	T89-R144 PolarHBondContact OG1-NH2 2.85Å; F140-R144 WeakPolarHBondContact O-CB 3.44Å; F140-R144 PolarHBondContact O-N 2.76Å; K141-R144 PolarHBondContact O-N 2.69Å; S142-R144 VanDerWaalsContact C-N 3.27Å; S142-R144 PolarHBondContact O-N 3.25Å; R144-N148 WeakPolarHBondContact O-CB 3.44Å; R144-N148 PolarHBondContact O-N 3.05Å; R144-N148 PolarHBondContact O-ND2 2.85Å
145	A	98.8	Very high	98.3	Very high	4 Å²	4	41 Å²	41	3%	0.033	21%	0.212	C	C	.	.	H	α-helix	trans	-65.2	-46.2	178.8	0	0	0	0	0	111.8	A92 V96 K141 S142 L143 N148 Q149	A92-A145 HydrophobicContact CB-CB 4.39Å; A92-A145 WeakPolarHBondContact O-CB 3.5Å; V96-A145 HydrophobicContact CB-CB 4.32Å; V96-A145 HydrophobicContact CG2-CB 3.68Å; K141-A145 PolarHBondContact O-N 3.39Å; K141-A145 VanDerWaalsContact O-N 3.11Å; S142-A145 PolarHBondContact O-N 3.24Å; S142-A145 VanDerWaalsContact O-N 3.13Å; L143-A145 PolarHBondContact O-N 2.99Å; A145-N148 PolarHBondContact O-N 2.87Å; A145-Q149 PolarHBondContact O-N 3.33Å
146	E	98.8	Very high	98.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.4	-49.3	179.2	-70.5	159.6	179.8	0	0	111.6	L31 V96 A109 N111 S142 L143 Q149 M150 I159	L31-E146 HydrophobicContact CD2-CG 4.17Å; V96-E146 HydrophobicContact CG2-CG 4.19Å; A109-E146 HydrophobicContact CB-CG 3.97Å; A109-E146 WeakPolarHBondContact CB-OE1 3.02Å; N111-E146 PolarHBondContact ND2-OE2 3.13Å; N111-E146 PolarHBondContact OD1-OE1 2.94Å; S142-E146 WeakPolarHBondContact O-CB 3.27Å; S142-E146 WeakPolarHBondContact O-CG 3.4Å; S142-E146 PolarHBondContact O-N 2.89Å; L143-E146 PolarHBondContact O-N 2.86Å; E146-Q149 PolarHBondContact O-N 3.46Å; E146-M150 WeakPolarHBondContact O-CG 3.42Å; E146-M150 PolarHBondContact O-N 3Å; E146-I159 HydrophobicContact CB-CD1 3.83Å
147	L	98.8	Very high	98.4	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-65.7	-42.9	-179.1	-69.8	164	0	0	0	111.6	L143 Q149 M150 L151 I159 Y195 I200	L143-L147 HydrophobicContact CB-CD1 4.13Å; L143-L147 HydrophobicContact CD2-CD1 4.35Å; L143-L147 WeakPolarHBondContact O-CB 3.31Å; L143-L147 VanDerWaalsContact O-CD1 3.28Å; L143-L147 WeakPolarHBondContact O-CD1 3.3Å; L143-L147 WeakPolarHBondContact O-CG 3.23Å; L143-L147 PolarHBondContact O-N 3.39Å; L147-Q149 PolarHBondContact O-N 2.86Å; L147-M150 PolarHBondContact O-N 3.41Å; L147-L151 WeakPolarHBondContact O-CB 3.46Å; L147-L151 WeakPolarHBondContact O-CG 3.41Å; L147-L151 PolarHBondContact O-N 3.35Å; L147-I159 HydrophobicContact CD2-CD1 3.89Å; L147-I159 HydrophobicContact CG-CD1 4Å; L147-Y195 HydrophobicContact CB-CE1 4.36Å; L147-Y195 HydrophobicContact CD1-CD2 3.72Å; L147-Y195 HydrophobicContact CD1-CE1 4.44Å; L147-Y195 HydrophobicContact CD1-CE2 3.37Å; L147-Y195 HydrophobicContact CD1-CG 4.44Å; L147-Y195 HydrophobicContact CD2-CD1 4.01Å; L147-Y195 HydrophobicContact CD2-CD2 3.68Å; L147-Y195 HydrophobicContact CD2-CE1 4.37Å; L147-Y195 HydrophobicContact CD2-CE2 4.13Å; L147-Y195 HydrophobicContact CD2-CG 3.65Å; L147-Y195 HydrophobicContact CG-CD2 4.3Å; L147-Y195 HydrophobicContact CG-CE2 4.26Å; L147-I200 HydrophobicContact CD2-CD1 4.27Å; L147-I200 HydrophobicContact CD2-CG2 3.89Å
148	N	98.7	Very high	98.3	Very high	96 Å²	96	40.7 Å²	40.7	51%	0.513	21%	0.211	S	C	.	.	H	α-helix	trans	-54.9	-43.3	174	-79.3	-19.4	0	0	0	111.3	R144 A145 K152	R144-N148 WeakPolarHBondContact O-CB 3.44Å; R144-N148 PolarHBondContact O-N 3.05Å; R144-N148 PolarHBondContact O-ND2 2.85Å; A145-N148 PolarHBondContact O-N 2.87Å; N148-K152 WeakPolarHBondContact O-CB 3.11Å; N148-K152 PolarHBondContact O-N 3.43Å
149	Q	98.7	Very high	98.3	Very high	26 Å²	26	40.7 Å²	40.7	12%	0.121	21%	0.21	C	C	.	.	H	α-helix	trans	-72.1	-43.7	178.2	178.7	57.5	27.6	0	0	112.5	V96 V100 A145 E146 L147 L151 K152 Q153	V96-Q149 HydrophobicContact CG1-CB 3.48Å; V96-Q149 VanDerWaalsContact CG1-CB 3.48Å; V96-Q149 HydrophobicContact CG1-CG 3.82Å; V100-Q149 VanDerWaalsContact CG2-CD 3.41Å; V100-Q149 HydrophobicContact CG2-CG 3.75Å; A145-Q149 PolarHBondContact O-N 3.33Å; E146-Q149 PolarHBondContact O-N 3.46Å; L147-Q149 PolarHBondContact O-N 2.86Å; Q149-L151 VanDerWaalsContact C-N 3.34Å; Q149-L151 PolarHBondContact O-N 3.34Å; Q149-K152 WeakPolarHBondContact O-CB 3.23Å; Q149-K152 PolarHBondContact O-N 3.48Å; Q149-Q153 VanDerWaalsContact O-CG 3.3Å; Q149-Q153 WeakPolarHBondContact O-CG 3.4Å; Q149-Q153 PolarHBondContact O-N 3.13Å
150	M	98.6	Very high	98.2	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-62.7	-40	178.7	-72.3	-177.4	-178.2	0	0	112.2	I106 E146 L147 Q153 G154 I159 I200	I106-M150 HydrophobicContact CG2-CE 4.04Å; E146-M150 WeakPolarHBondContact O-CG 3.42Å; E146-M150 PolarHBondContact O-N 3Å; L147-M150 PolarHBondContact O-N 3.41Å; M150-Q153 PolarHBondContact O-N 2.81Å; M150-G154 PolarHBondContact O-N 3.34Å; M150-G154 VanDerWaalsContact O-N 3.11Å; M150-I159 HydrophobicContact CE-CD1 4.18Å; M150-I159 HydrophobicContact CE-CG1 3.74Å; M150-I159 HydrophobicContact SD-CD1 3.99Å; M150-I159 HydrophobicContact SD-CG1 3.99Å; M150-I200 HydrophobicContact CB-CD1 3.58Å; M150-I200 HydrophobicContact CB-CG1 4.15Å; M150-I200 HydrophobicContact SD-CG2 3.86Å
151	L	98.7	Very high	98.1	Very high	61 Å²	61	35.9 Å²	35.9	32%	0.319	19%	0.189	S	C	.	.	H	α-helix	trans	-60.9	-46	173.2	-71.7	169.8	0	0	0	111.7	L147 Q149 Q153 G154 Y195 F198 I200	L147-L151 WeakPolarHBondContact O-CB 3.46Å; L147-L151 WeakPolarHBondContact O-CG 3.41Å; L147-L151 PolarHBondContact O-N 3.35Å; Q149-L151 VanDerWaalsContact C-N 3.34Å; Q149-L151 PolarHBondContact O-N 3.34Å; L151-Q153 PolarHBondContact O-N 3.37Å; L151-G154 PolarHBondContact O-N 2.84Å; L151-G154 VanDerWaalsContact O-N 3.12Å; L151-Y195 HydrophobicContact CD1-CD1 4.37Å; L151-Y195 HydrophobicContact CD1-CE1 3.94Å; L151-Y195 HydrophobicContact CD2-CD1 4.25Å; L151-F198 HydrophobicContact CD2-CB 3.84Å; L151-F198 HydrophobicContact CD2-CD1 3.47Å; L151-F198 VanDerWaalsContact CD2-CD1 3.47Å; L151-F198 HydrophobicContact CD2-CD2 3.88Å; L151-F198 HydrophobicContact CD2-CE1 3.92Å; L151-F198 HydrophobicContact CD2-CE2 4.28Å; L151-F198 HydrophobicContact CD2-CG 3.44Å; L151-F198 VanDerWaalsContact CD2-CG 3.44Å; L151-F198 HydrophobicContact CD2-CZ 4.29Å; L151-I200 HydrophobicContact CD2-CD1 4.18Å; L151-I200 HydrophobicContact CG-CD1 4.3Å
152	K	98.5	Very high	97.8	Very high	171 Å²	171	35 Å²	35	74%	0.743	19%	0.186	S	C	*	.	H	α-helix	trans	-59.6	-35.4	176.9	-179.1	-179.5	176.7	-174.6	0	112.2	N148 Q149	N148-K152 WeakPolarHBondContact O-CB 3.11Å; N148-K152 PolarHBondContact O-N 3.43Å; Q149-K152 WeakPolarHBondContact O-CB 3.23Å; Q149-K152 PolarHBondContact O-N 3.48Å
153	Q	98.3	Very high	97.3	Very high	45 Å²	45	35.1 Å²	35.1	21%	0.21	19%	0.187	C	C	.	.	H	α-helix	trans	-75.3	-25.4	177.9	-67.5	170	174.9	0	0	113.3	I106 Q149 M150 L151 K155	I106-Q153 PolarHBondContact O-NE2 2.94Å; Q149-Q153 VanDerWaalsContact O-CG 3.3Å; Q149-Q153 WeakPolarHBondContact O-CG 3.4Å; Q149-Q153 PolarHBondContact O-N 3.13Å; M150-Q153 PolarHBondContact O-N 2.81Å; L151-Q153 PolarHBondContact O-N 3.37Å; Q153-K155 HydrophobicContact CB-CG 4.07Å; Q153-K155 VanDerWaalsContact NE2-CE 3.3Å; Q153-K155 PolarHBondContact O-N 2.8Å; Q153-K155 VanDerWaalsContact O-N 3.11Å
154	G	97.9	Very high	96.7	Very high	68 Å²	68	35.4 Å²	35.4	70%	0.701	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	15	174.9	0	0	0	0	0	115.9	M150 L151	M150-G154 PolarHBondContact O-N 3.34Å; M150-G154 VanDerWaalsContact O-N 3.11Å; L151-G154 PolarHBondContact O-N 2.84Å; L151-G154 VanDerWaalsContact O-N 3.12Å
155	K	97	Very high	95.9	Very high	123 Å²	123	33.6 Å²	33.6	54%	0.535	19%	0.189	S	C	.	.	S	Bend	trans	-110.7	10.6	-176.4	65.5	175	174.3	164.4	0	114.2	D107 Q153	D107-K155 WeakPolarHBondContact OD1-CE 3.21Å; D107-K155 IonicContact OD1-NZ 3.79Å; D107-K155 PolarHBondContact OD1-NZ 2.98Å; D107-K155 IonicContact OD2-NZ 3.21Å; Q153-K155 HydrophobicContact CB-CG 4.07Å; Q153-K155 VanDerWaalsContact NE2-CE 3.3Å; Q153-K155 PolarHBondContact O-N 2.8Å; Q153-K155 VanDerWaalsContact O-N 3.11Å
156	G	96.9	Very high	95.2	Very high	6 Å²	6	33.6 Å²	33.6	6%	0.062	19%	0.188	C	C	.	.			trans	70.6	-159.1	-171.9	0	0	0	0	0	112.9	F198 G199	G156-F198 WeakPolarHBondContact CA-O 3.45Å; G156-G199 WeakPolarHBondContact CA-O 3.33Å
157	G	97	Very high	94.5	Very high	16 Å²	16	33.7 Å²	33.7	17%	0.165	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.5	-175.7	-179.7	0	0	0	0	0	112.1	D107 G199 I200 R201	D107-G157 VanDerWaalsContact O-CA 3.25Å; D107-G157 WeakPolarHBondContact O-CA 3.25Å; G157-G199 PolarHBondContact N-O 2.93Å; G157-I200 WeakPolarHBondContact O-CA 2.85Å; G157-R201 PolarHBondContact O-N 2.91Å
158	A	97.7	Very high	93.9	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	137.1	171.7	0	0	0	0	0	113.7	D107 Y108 A109 R201 F268	D107-A158 PolarHBondContact O-N 3.36Å; D107-A158 VanDerWaalsContact O-N 3.1Å; Y108-A158 CarbonylContact C-O 3.55Å; Y108-A158 WeakPolarHBondContact CA-O 3.3Å; Y108-A158 HydrophobicContact CD1-CB 3.87Å; Y108-A158 HydrophobicContact CE1-CB 4.15Å; A109-A158 PolarHBondContact N-O 2.88Å; A158-R201 CarbonylContact C-O 3.13Å; A158-R201 VanDerWaalsContact CA-O 3.25Å; A158-R201 WeakPolarHBondContact CA-O 3.23Å; A158-R201 HydrophobicContact CB-CB 4.19Å; A158-F268 HydrophobicContact CB-CD1 4.03Å
159	I	98.2	Very high	93.2	Very high	1 Å²	1	37 Å²	37	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.8	179.8	-55.7	172	0	0	0	109	A109 L143 E146 L147 M150 R201 V202 N203	A109-I159 HydrophobicContact CB-CG1 4.09Å; A109-I159 HydrophobicContact CB-CG2 4.16Å; A109-I159 WeakPolarHBondContact O-CA 3.4Å; L143-I159 HydrophobicContact CD2-CB 4.32Å; L143-I159 HydrophobicContact CD2-CD1 3.88Å; L143-I159 HydrophobicContact CD2-CG2 3.67Å; E146-I159 HydrophobicContact CB-CD1 3.83Å; L147-I159 HydrophobicContact CD2-CD1 3.89Å; L147-I159 HydrophobicContact CG-CD1 4Å; M150-I159 HydrophobicContact CE-CD1 4.18Å; M150-I159 HydrophobicContact CE-CG1 3.74Å; M150-I159 HydrophobicContact SD-CD1 3.99Å; M150-I159 HydrophobicContact SD-CG1 3.99Å; I159-R201 PolarHBondContact N-O 3.29Å; I159-V202 HydrophobicContact CB-CG1 4.34Å; I159-V202 HydrophobicContact CB-CG2 4.43Å; I159-V202 WeakPolarHBondContact O-CA 3.25Å; I159-N203 PolarHBondContact O-N 3.14Å
160	V	97	Very high	92	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.4	174.7	-179.9	0	0	0	0	108.8	A109 L110 N111 V205 V264 D267 F268	A109-V160 PolarHBondContact O-N 2.83Å; L110-V160 CarbonylContact C-O 3.35Å; L110-V160 WeakPolarHBondContact CA-O 3.38Å; L110-V160 HydrophobicContact CD1-CB 3.9Å; L110-V160 HydrophobicContact CD1-CG1 3.85Å; N111-V160 PolarHBondContact N-O 2.77Å; V160-V205 HydrophobicContact CG1-CG1 3.84Å; V160-V205 HydrophobicContact CG1-CG2 3.97Å; V160-V264 HydrophobicContact CG2-CG1 4.47Å; V160-D267 HydrophobicContact CG2-CB 3.44Å; V160-D267 VanDerWaalsContact CG2-CB 3.44Å; V160-F268 HydrophobicContact CB-CE1 4.43Å; V160-F268 HydrophobicContact CG2-CD1 4.19Å; V160-F268 HydrophobicContact CG2-CE1 3.69Å; V160-F268 HydrophobicContact CG2-CZ 4.2Å
161	N	95.9	Very high	90.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.9	172.3	-60.5	-30.2	0	0	0	109.6	N111 V139 G163 V184 T188 N203 S204 V205	N111-N161 WeakPolarHBondContact CB-OD1 3.41Å; N111-N161 PolarHBondContact ND2-OD1 3.03Å; V139-N161 HydrophobicContact CG1-CB 4.33Å; N161-G163 PolarHBondContact O-N 2.88Å; N161-G163 VanDerWaalsContact O-N 3.13Å; N161-V184 HydrophobicContact CB-CG1 3.83Å; N161-T188 PolarHBondContact ND2-OG1 3.17Å; N161-N203 PolarHBondContact N-O 3.02Å; N161-S204 VanDerWaalsContact O-CA 3.23Å; N161-S204 WeakPolarHBondContact O-CA 3.14Å; N161-S204 PolarHBondContact O-OG 2.98Å; N161-V205 PolarHBondContact O-N 2.97Å
162	V	91.8	Very high	89.6	Confident	13 Å²	13	40.4 Å²	40.4	8%	0.079	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	99.9	174.8	-179	0	0	0	0	109.1	L39 L110 N111 N112 K181 V205 M207	L39-V162 HydrophobicContact CD2-CG1 4.3Å; L39-V162 HydrophobicContact CD2-CG2 4.19Å; L110-V162 HydrophobicContact CD1-CG2 3.74Å; L110-V162 HydrophobicContact CG-CG2 4.42Å; N111-V162 PolarHBondContact O-N 3.35Å; N112-V162 HydrophobicContact CB-CB 4.38Å; N112-V162 HydrophobicContact CB-CG2 3.62Å; V162-K181 PolarHBondContact O-NZ 3.25Å; V162-V205 HydrophobicContact CG2-CG2 4.2Å; V162-M207 HydrophobicContact CG1-SD 4.22Å
163	G	88.2	Confident	88.6	Confident	3 Å²	3	34 Å²	34	3%	0.031	23%	0.232	C	C	.	.			trans	-78.4	-150.4	172.2	0	0	0	0	0	112.4	N161 V205	N161-G163 PolarHBondContact O-N 2.88Å; N161-G163 VanDerWaalsContact O-N 3.13Å; G163-V205 CarbonylContact C-O 3.55Å; G163-V205 WeakPolarHBondContact CA-O 2.74Å; G163-V205 PolarHBondContact N-O 2.96Å
164	S	86.7	Confident	88	Confident	9 Å²	9	33.1 Å²	33.1	6%	0.063	23%	0.228	C	C	.	.			trans	-164.1	150.6	176.7	177.7	0	0	0	0	108.3	A166 G167 N206	S164-A166 PolarHBondContact O-N 2.82Å; S164-A166 VanDerWaalsContact O-N 3.14Å; S164-A166 VanDerWaalsContact OG-CB 3.3Å; S164-A166 WeakPolarHBondContact OG-CB 3.47Å; S164-A166 PolarHBondContact OG-N 2.83Å; S164-G167 WeakPolarHBondContact O-CA 3.4Å; S164-G167 PolarHBondContact O-N 3.45Å; S164-N206 PolarHBondContact N-OD1 3.33Å; S164-N206 PolarHBondContact O-OD1 3.44Å
165	V	81.6	Confident	87.5	Confident	56 Å²	56	31.3 Å²	31.3	34%	0.339	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-54.2	-30.5	164.6	-65.9	0	0	0	0	111.6	G167 L168 T169 M207 A208	V165-G167 PolarHBondContact O-N 2.78Å; V165-L168 PolarHBondContact O-N 3.05Å; V165-T169 PolarHBondContact O-N 3.47Å; V165-T169 PolarHBondContact O-OG1 3.37Å; V165-M207 PolarHBondContact N-O 3.39Å; V165-A208 HydrophobicContact CG1-CB 4.46Å
166	A	84.1	Confident	87.2	Confident	3 Å²	3	25.5 Å²	25.5	3%	0.025	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-69.1	-9.2	172.4	0	0	0	0	0	114.7	S164 T169 V171 Y177 V178 H182	S164-A166 PolarHBondContact O-N 2.82Å; S164-A166 VanDerWaalsContact O-N 3.14Å; S164-A166 VanDerWaalsContact OG-CB 3.3Å; S164-A166 WeakPolarHBondContact OG-CB 3.47Å; S164-A166 PolarHBondContact OG-N 2.83Å; A166-T169 CarbonylContact C-O 3.22Å; A166-T169 WeakPolarHBondContact CA-O 3.31Å; A166-V171 HydrophobicContact CB-CB 4.19Å; A166-V171 HydrophobicContact CB-CG2 3.6Å; A166-Y177 HydrophobicContact CB-CD1 4.12Å; A166-Y177 HydrophobicContact CB-CE1 4Å; A166-V178 HydrophobicContact CB-CG2 4.08Å; A166-H182 PolarHBondContact O-CE1 2.99Å; A166-H182 PolarHBondContact O-ND1 3.27Å
167	G	85.1	Confident	86.9	Confident	2 Å²	2	26.7 Å²	26.7	2%	0.021	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-93.9	-3.9	170	0	0	0	0	0	113.3	S164 V165 H182 N185	S164-G167 WeakPolarHBondContact O-CA 3.4Å; S164-G167 PolarHBondContact O-N 3.45Å; V165-G167 PolarHBondContact O-N 2.78Å; G167-H182 PolarHBondContact O-CD2 3.13Å; G167-H182 VanDerWaalsContact O-CD2 3.28Å; G167-H182 PolarHBondContact O-NE2 2.81Å; G167-N185 VanDerWaalsContact C-ND2 3.29Å; G167-N185 PolarHBondContact O-ND2 3.36Å
168	L	85.9	Confident	86.6	Confident	93 Å²	93	27.1 Å²	27.1	49%	0.487	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-23.4	174.5	-57.7	177.7	0	0	0	111.2	V165 N185 N206	V165-L168 PolarHBondContact O-N 3.05Å; L168-N185 WeakPolarHBondContact CD2-ND2 3.33Å; L168-N206 HydrophobicContact CD1-CB 3.71Å; L168-N206 HydrophobicContact CG-CB 4.28Å
169	T	82.4	Confident	86.5	Confident	77 Å²	77	28.7 Å²	28.7	47%	0.472	19%	0.193	S	C	.	.	S	Bend	trans	-136.4	171.7	179.7	74.1	0	0	0	0	109.9	V165 A166 H182	V165-T169 PolarHBondContact O-N 3.47Å; V165-T169 PolarHBondContact O-OG1 3.37Å; A166-T169 CarbonylContact C-O 3.22Å; A166-T169 WeakPolarHBondContact CA-O 3.31Å; T169-H182 PolarHBondContact O-CE1 3.41Å
170	G	73.5	Confident	86.4	Confident	61 Å²	61	28.6 Å²	28.6	63%	0.629	19%	0.193	S	C	*	.			trans	-76.5	152.3	162.2	0	0	0	0	0	112
171	V	73.8	Confident	86.2	Confident	58 Å²	58	28.9 Å²	28.9	35%	0.352	19%	0.194	S	C	.	.			trans	-133.3	133.7	162.4	-178.8	0	0	0	0	107.9	A166 F174 V178	A166-V171 HydrophobicContact CB-CB 4.19Å; A166-V171 HydrophobicContact CB-CG2 3.6Å; V171-F174 HydrophobicContact CG1-CD2 4.08Å; V171-F174 HydrophobicContact CG1-CE2 4.41Å; V171-V178 HydrophobicContact CB-CG2 4.36Å
172	G	74.5	Confident	86.3	Confident	42 Å²	42	32.9 Å²	32.9	43%	0.433	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	149.9	-178.2	0	0	0	0	0	112.5	F174	G172-F174 WeakPolarHBondContact O-CD2 3.29Å; G172-F174 WeakPolarHBondContact O-CE2 3.42Å; G172-F174 PolarHBondContact O-N 2.88Å
173	S	77.7	Confident	86.5	Confident	37 Å²	37	34.2 Å²	34.2	26%	0.259	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	9.2	175.5	-47.7	0	0	0	0	117.8	A118 I236	A118-S173 CarbonylContact C-O 3.59Å; S173-I236 WeakPolarHBondContact OG-CD1 3.38Å
174	F	83.9	Confident	87	Confident	26 Å²	26	34.1 Å²	34.1	11%	0.114	22%	0.224	C	C	.	.			trans	-141.2	61.9	-179	-47.9	-73.3	0	0	0	113.4	L116 D117 V171 G172 Y177 V178 I218	L116-F174 HydrophobicContact CD2-CD1 3.48Å; L116-F174 VanDerWaalsContact CD2-CD1 3.48Å; L116-F174 HydrophobicContact CD2-CE1 3.71Å; L116-F174 HydrophobicContact CD2-CG 3.97Å; L116-F174 HydrophobicContact CD2-CZ 4.37Å; D117-F174 HydrophobicContact CB-CB 4.44Å; D117-F174 VanDerWaalsContact O-CD1 3.28Å; D117-F174 WeakPolarHBondContact O-CD1 3.37Å; V171-F174 HydrophobicContact CG1-CD2 4.08Å; V171-F174 HydrophobicContact CG1-CE2 4.41Å; G172-F174 WeakPolarHBondContact O-CD2 3.29Å; G172-F174 WeakPolarHBondContact O-CE2 3.42Å; G172-F174 PolarHBondContact O-N 2.88Å; F174-Y177 PolarHBondContact O-N 2.92Å; F174-V178 WeakPolarHBondContact O-CB 3.28Å; F174-V178 VanDerWaalsContact O-CG2 3.25Å; F174-V178 WeakPolarHBondContact O-CG2 3.39Å; F174-V178 PolarHBondContact O-N 3.34Å; F174-I218 HydrophobicContact CZ-CG2 4.38Å
175	P	88.5	Confident	87.3	Confident	30 Å²	30	33.9 Å²	33.9	20%	0.195	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-48.1	-171.3	29.2	-35.4	0	0	0	114.3	D117 A118 L120 Y177 V178 A179	D117-P175 VanDerWaalsContact OD2-CD 3.31Å; D117-P175 WeakPolarHBondContact OD2-CD 3.09Å; D117-P175 WeakPolarHBondContact OD2-CG 3.03Å; A118-P175 WeakPolarHBondContact O-CD 3.19Å; L120-P175 HydrophobicContact CB-CB 4.31Å; L120-P175 HydrophobicContact CB-CG 3.9Å; L120-P175 HydrophobicContact CD1-CB 3.8Å; L120-P175 HydrophobicContact CD1-CG 3.76Å; L120-P175 HydrophobicContact CG-CG 4.44Å; P175-Y177 VanDerWaalsContact C-N 3.3Å; P175-Y177 PolarHBondContact O-N 3.16Å; P175-V178 PolarHBondContact O-N 3.14Å; P175-A179 WeakPolarHBondContact O-CB 3.15Å; P175-A179 PolarHBondContact O-N 3.49Å
176	A	91.3	Very high	88.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67.9	-33.8	179	0	0	0	0	0	111.1	D117 W128 V131 S180	D117-A176 HydrophobicContact CB-CB 4.46Å; D117-A176 WeakPolarHBondContact OD2-CA 3.16Å; D117-A176 WeakPolarHBondContact OD2-CB 3.28Å; D117-A176 PolarHBondContact OD2-N 3.46Å; W128-A176 HydrophobicContact CD2-CB 4.14Å; W128-A176 HydrophobicContact CE3-CB 3.47Å; W128-A176 VanDerWaalsContact CE3-CB 3.47Å; W128-A176 HydrophobicContact CZ3-CB 3.81Å; V131-A176 HydrophobicContact CB-CB 3.76Å; V131-A176 HydrophobicContact CG1-CB 3.73Å; V131-A176 HydrophobicContact CG2-CB 4.23Å; A176-S180 WeakPolarHBondContact O-CB 3.27Å; A176-S180 PolarHBondContact O-N 2.81Å; A176-S180 PolarHBondContact O-OG 3.43Å
177	Y	90.5	Very high	88.7	Confident	32 Å²	32	34.8 Å²	34.8	13%	0.125	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-47.4	173.4	-174.8	-102.9	0	0	0	111.7	V115 L116 N135 A166 F174 P175 S180 K181 M214	V115-Y177 VanDerWaalsContact O-CD2 3.25Å; V115-Y177 WeakPolarHBondContact O-CD2 3.44Å; L116-Y177 HydrophobicContact CD2-CD1 4.43Å; L116-Y177 HydrophobicContact CD2-CD2 4.38Å; L116-Y177 HydrophobicContact CD2-CG 4.2Å; L116-Y177 HydrophobicContact CG-CD2 4.37Å; N135-Y177 WeakPolarHBondContact ND2-CD2 3.23Å; A166-Y177 HydrophobicContact CB-CD1 4.12Å; A166-Y177 HydrophobicContact CB-CE1 4Å; F174-Y177 PolarHBondContact O-N 2.92Å; P175-Y177 VanDerWaalsContact C-N 3.3Å; P175-Y177 PolarHBondContact O-N 3.16Å; Y177-S180 WeakPolarHBondContact CA-OG 3.4Å; Y177-S180 PolarHBondContact O-N 2.85Å; Y177-S180 PolarHBondContact O-OG 3.21Å; Y177-K181 HydrophobicContact CD1-CG 4.42Å; Y177-K181 HydrophobicContact CD2-CG 4.36Å; Y177-K181 HydrophobicContact CE1-CG 4.06Å; Y177-K181 HydrophobicContact CE2-CD 4.4Å; Y177-K181 HydrophobicContact CE2-CG 3.97Å; Y177-K181 WeakPolarHBondContact O-CB 3.29Å; Y177-K181 WeakPolarHBondContact O-CG 3.42Å; Y177-K181 PolarHBondContact O-N 3.48Å; Y177-M214 HydrophobicContact CD2-CE 4.29Å; Y177-M214 HydrophobicContact CE2-CE 3.55Å
178	V	90.4	Very high	89.3	Confident	24 Å²	24	35.1 Å²	35.1	15%	0.145	24%	0.236	C	C	.	.	H	α-helix	trans	-58.9	-50.5	175.7	167.2	0	0	0	0	110.2	A166 V171 F174 P175 K181 H182	A166-V178 HydrophobicContact CB-CG2 4.08Å; V171-V178 HydrophobicContact CB-CG2 4.36Å; F174-V178 WeakPolarHBondContact O-CB 3.28Å; F174-V178 VanDerWaalsContact O-CG2 3.25Å; F174-V178 WeakPolarHBondContact O-CG2 3.39Å; F174-V178 PolarHBondContact O-N 3.34Å; P175-V178 PolarHBondContact O-N 3.14Å; V178-K181 PolarHBondContact O-N 3.43Å; V178-H182 PolarHBondContact O-N 3.04Å; V178-H182 PolarHBondContact O-ND1 3.44Å
179	A	94.6	Very high	89.9	Confident	34 Å²	34	38 Å²	38	28%	0.281	24%	0.24	S	C	.	.	H	α-helix	trans	-60.6	-48.9	179.9	0	0	0	0	0	111.8	W128 M132 P175 K181 H182 A183	W128-A179 HydrophobicContact CH2-CB 3.81Å; W128-A179 HydrophobicContact CZ3-CB 4.39Å; M132-A179 HydrophobicContact SD-CB 4.33Å; P175-A179 WeakPolarHBondContact O-CB 3.15Å; P175-A179 PolarHBondContact O-N 3.49Å; A179-K181 VanDerWaalsContact C-N 3.35Å; A179-K181 PolarHBondContact O-N 3.13Å; A179-H182 PolarHBondContact O-N 3.38Å; A179-A183 PolarHBondContact O-N 2.86Å
180	S	95.9	Very high	90.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.5	-38.3	179.2	59.5	0	0	0	0	112.7	N135 A176 Y177 A183 V184	N135-S180 VanDerWaalsContact CB-CB 3.45Å; N135-S180 WeakPolarHBondContact CB-OG 3.36Å; N135-S180 PolarHBondContact ND2-OG 3.11Å; N135-S180 VanDerWaalsContact ND2-OG 3.16Å; A176-S180 WeakPolarHBondContact O-CB 3.27Å; A176-S180 PolarHBondContact O-N 2.81Å; A176-S180 PolarHBondContact O-OG 3.43Å; Y177-S180 WeakPolarHBondContact CA-OG 3.4Å; Y177-S180 PolarHBondContact O-N 2.85Å; Y177-S180 PolarHBondContact O-OG 3.21Å; S180-A183 WeakPolarHBondContact O-CB 3.49Å; S180-A183 PolarHBondContact O-N 3.23Å; S180-V184 WeakPolarHBondContact O-CG2 3.39Å; S180-V184 PolarHBondContact O-N 2.98Å
181	K	94.8	Very high	91.8	Very high	7 Å²	7	35.3 Å²	35.3	3%	0.03	21%	0.208	C	C	.	.	H	α-helix	trans	-74.7	-27.1	177.4	-66	-60.1	-173.2	-176.2	0	113.4	V162 Y177 V178 A179 V184 N185	V162-K181 PolarHBondContact O-NZ 3.25Å; Y177-K181 HydrophobicContact CD1-CG 4.42Å; Y177-K181 HydrophobicContact CD2-CG 4.36Å; Y177-K181 HydrophobicContact CE1-CG 4.06Å; Y177-K181 HydrophobicContact CE2-CD 4.4Å; Y177-K181 HydrophobicContact CE2-CG 3.97Å; Y177-K181 WeakPolarHBondContact O-CB 3.29Å; Y177-K181 WeakPolarHBondContact O-CG 3.42Å; Y177-K181 PolarHBondContact O-N 3.48Å; V178-K181 PolarHBondContact O-N 3.43Å; A179-K181 VanDerWaalsContact C-N 3.35Å; A179-K181 PolarHBondContact O-N 3.13Å; K181-V184 HydrophobicContact CD-CG2 4.49Å; K181-N185 PolarHBondContact O-N 3.03Å; K181-N185 PolarHBondContact O-ND2 2.78Å
182	H	96.1	Very high	92.9	Very high	83 Å²	83	34 Å²	34	38%	0.384	20%	0.204	S	C	.	.	H	α-helix	trans	-65.5	-42.5	165.4	-77.7	78.6	0	0	0	111.1	A166 G167 T169 V178 A179 V184 N185 G186	A166-H182 PolarHBondContact O-CE1 2.99Å; A166-H182 PolarHBondContact O-ND1 3.27Å; G167-H182 PolarHBondContact O-CD2 3.13Å; G167-H182 VanDerWaalsContact O-CD2 3.28Å; G167-H182 PolarHBondContact O-NE2 2.81Å; T169-H182 PolarHBondContact O-CE1 3.41Å; V178-H182 PolarHBondContact O-N 3.04Å; V178-H182 PolarHBondContact O-ND1 3.44Å; A179-H182 PolarHBondContact O-N 3.38Å; H182-V184 VanDerWaalsContact C-N 3.35Å; H182-V184 PolarHBondContact O-N 3.47Å; H182-N185 PolarHBondContact O-N 3.24Å; H182-G186 PolarHBondContact O-N 3.28Å
183	A	98	Very high	94.1	Very high	42 Å²	42	38.3 Å²	38.3	35%	0.347	22%	0.216	S	C	.	.	H	α-helix	trans	-60.3	-43.4	176.3	0	0	0	0	0	111.8	A136 A179 S180 N185 G186 L187	A136-A183 HydrophobicContact CB-CB 3.85Å; A179-A183 PolarHBondContact O-N 2.86Å; S180-A183 WeakPolarHBondContact O-CB 3.49Å; S180-A183 PolarHBondContact O-N 3.23Å; A183-N185 VanDerWaalsContact C-N 3.34Å; A183-N185 PolarHBondContact O-N 3.17Å; A183-G186 PolarHBondContact O-N 3.05Å; A183-L187 VanDerWaalsContact O-CB 3.29Å; A183-L187 WeakPolarHBondContact O-CB 3.14Å; A183-L187 PolarHBondContact O-N 3.26Å
184	V	97	Very high	95.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-56.7	-46.6	173.6	171	0	0	0	0	111.5	N135 V139 N161 S180 K181 H182 G186 L187 T188	N135-V184 WeakPolarHBondContact O-CG2 3.3Å; V139-V184 HydrophobicContact CB-CG2 4.26Å; V139-V184 HydrophobicContact CG1-CG1 4.49Å; V139-V184 HydrophobicContact CG2-CG2 3.9Å; N161-V184 HydrophobicContact CB-CG1 3.83Å; S180-V184 WeakPolarHBondContact O-CG2 3.39Å; S180-V184 PolarHBondContact O-N 2.98Å; K181-V184 HydrophobicContact CD-CG2 4.49Å; H182-V184 VanDerWaalsContact C-N 3.35Å; H182-V184 PolarHBondContact O-N 3.47Å; V184-G186 PolarHBondContact O-N 2.94Å; V184-L187 PolarHBondContact O-N 3.25Å; V184-T188 WeakPolarHBondContact O-CB 3.41Å; V184-T188 PolarHBondContact O-N 2.86Å; V184-T188 PolarHBondContact O-OG1 3.35Å
185	N	94.5	Very high	95.8	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.027	23%	0.228	C	C	.	.	H	α-helix	trans	-66.1	-37.3	179	-76.5	-25.5	0	0	0	113	G167 L168 K181 H182 A183 R189 S204 N206	G167-N185 VanDerWaalsContact C-ND2 3.29Å; G167-N185 PolarHBondContact O-ND2 3.36Å; L168-N185 WeakPolarHBondContact CD2-ND2 3.33Å; K181-N185 PolarHBondContact O-N 3.03Å; K181-N185 PolarHBondContact O-ND2 2.78Å; H182-N185 PolarHBondContact O-N 3.24Å; A183-N185 VanDerWaalsContact C-N 3.34Å; A183-N185 PolarHBondContact O-N 3.17Å; N185-R189 WeakPolarHBondContact O-CG 3.3Å; N185-R189 PolarHBondContact O-N 2.87Å; N185-S204 PolarHBondContact OD1-OG 2.78Å; N185-N206 PolarHBondContact ND2-OD1 3.01Å; N185-N206 PolarHBondContact OD1-ND2 3.39Å; N185-N206 PolarHBondContact OD1-OD1 3.24Å
186	G	97	Very high	96.2	Very high	40 Å²	40	43.1 Å²	43.1	41%	0.412	24%	0.243	S	C	.	.	H	α-helix	trans	-64.2	-46.4	173.3	0	0	0	0	0	111.8	H182 A183 V184 R189 N190	H182-G186 PolarHBondContact O-N 3.28Å; A183-G186 PolarHBondContact O-N 3.05Å; V184-G186 PolarHBondContact O-N 2.94Å; G186-R189 PolarHBondContact O-N 3.34Å; G186-N190 PolarHBondContact O-N 3.43Å
187	L	97.5	Very high	96.5	Very high	38 Å²	38	47.7 Å²	47.7	20%	0.199	28%	0.281	C	S	.	.	H	α-helix	trans	-64	-42.1	179.2	-175.6	61	0	0	0	112.3	V139 F140 L143 A183 V184 R189 N190 A191	V139-L187 HydrophobicContact CG1-CD2 4.14Å; F140-L187 HydrophobicContact CB-CD2 3.84Å; F140-L187 HydrophobicContact CD2-CD1 4.32Å; F140-L187 HydrophobicContact CD2-CD2 4.41Å; L143-L187 HydrophobicContact CD1-CD1 4.46Å; L143-L187 HydrophobicContact CD1-CD2 3.63Å; L143-L187 HydrophobicContact CD1-CG 3.65Å; A183-L187 VanDerWaalsContact O-CB 3.29Å; A183-L187 WeakPolarHBondContact O-CB 3.14Å; A183-L187 PolarHBondContact O-N 3.26Å; V184-L187 PolarHBondContact O-N 3.25Å; L187-R189 VanDerWaalsContact C-N 3.33Å; L187-R189 PolarHBondContact O-N 3.4Å; L187-N190 PolarHBondContact O-N 2.89Å; L187-A191 WeakPolarHBondContact O-CB 3.44Å; L187-A191 PolarHBondContact O-N 3.4Å
188	T	97.6	Very high	96.9	Very high	9 Å²	9	51.9 Å²	51.9	6%	0.055	30%	0.3	C	S	.	.	H	α-helix	trans	-55.6	-47.5	172.1	-70.9	0	0	0	0	111.3	N161 V184 A191 A192 V202 N203	N161-T188 PolarHBondContact ND2-OG1 3.17Å; V184-T188 WeakPolarHBondContact O-CB 3.41Å; V184-T188 PolarHBondContact O-N 2.86Å; V184-T188 PolarHBondContact O-OG1 3.35Å; T188-A191 PolarHBondContact O-N 3.34Å; T188-A192 VanDerWaalsContact O-CB 3.31Å; T188-A192 WeakPolarHBondContact O-CB 3.28Å; T188-A192 PolarHBondContact O-N 3.47Å; T188-V202 HydrophobicContact CG2-CG1 4.29Å; T188-N203 VanDerWaalsContact CG2-C 3.41Å
189	R	97.8	Very high	97.2	Very high	152 Å²	152	53 Å²	53	57%	0.574	32%	0.316	S	S	*	.	H	α-helix	trans	-64.3	-42.9	-179.1	-75.6	-177.2	-118.6	-94.6	3.4	112.2	N185 G186 L187 A192 I193	N185-R189 WeakPolarHBondContact O-CG 3.3Å; N185-R189 PolarHBondContact O-N 2.87Å; G186-R189 PolarHBondContact O-N 3.34Å; L187-R189 VanDerWaalsContact C-N 3.33Å; L187-R189 PolarHBondContact O-N 3.4Å; R189-A192 PolarHBondContact O-N 3.3Å; R189-I193 WeakPolarHBondContact O-CG1 3.37Å; R189-I193 PolarHBondContact O-N 2.91Å
190	N	98.6	Very high	97.4	Very high	80 Å²	80	51.4 Å²	51.4	43%	0.428	30%	0.303	S	S	.	.	H	α-helix	trans	-60.6	-52.2	175.8	164.5	-111	0	0	0	110.8	G186 L187 A192 I193 D194	G186-N190 PolarHBondContact O-N 3.43Å; L187-N190 PolarHBondContact O-N 2.89Å; N190-A192 VanDerWaalsContact C-N 3.31Å; N190-A192 PolarHBondContact O-N 3.28Å; N190-I193 PolarHBondContact O-N 3.19Å; N190-I193 VanDerWaalsContact O-N 3.13Å; N190-D194 PolarHBondContact ND2-OD2 2.97Å; N190-D194 PolarHBondContact O-N 3.47Å
191	A	98.3	Very high	97.5	Very high	2 Å²	2	54.5 Å²	54.5	2%	0.017	32%	0.315	C	S	.	.	H	α-helix	trans	-61.6	-37.6	179.3	0	0	0	0	0	112.6	L187 T188 I193 D194 Y195 V202	L187-A191 WeakPolarHBondContact O-CB 3.44Å; L187-A191 PolarHBondContact O-N 3.4Å; T188-A191 PolarHBondContact O-N 3.34Å; A191-I193 VanDerWaalsContact C-N 3.28Å; A191-I193 PolarHBondContact O-N 3.08Å; A191-D194 PolarHBondContact O-N 3.22Å; A191-Y195 HydrophobicContact CB-CD2 4.04Å; A191-Y195 HydrophobicContact CB-CE2 4.29Å; A191-Y195 WeakPolarHBondContact O-CB 3.44Å; A191-Y195 WeakPolarHBondContact O-CD2 3.34Å; A191-Y195 PolarHBondContact O-N 3.05Å; A191-V202 HydrophobicContact CB-CB 4.2Å; A191-V202 HydrophobicContact CB-CG1 4.03Å; A191-V202 HydrophobicContact CB-CG2 4.06Å
192	A	97.5	Very high	97.6	Very high	32 Å²	32	54.3 Å²	54.3	26%	0.264	31%	0.314	S	S	.	.	H	α-helix	trans	-59.4	-39.7	176.3	0	0	0	0	0	112.3	T188 R189 N190 A196 V202	T188-A192 VanDerWaalsContact O-CB 3.31Å; T188-A192 WeakPolarHBondContact O-CB 3.28Å; T188-A192 PolarHBondContact O-N 3.47Å; R189-A192 PolarHBondContact O-N 3.3Å; N190-A192 VanDerWaalsContact C-N 3.31Å; N190-A192 PolarHBondContact O-N 3.28Å; A192-A196 VanDerWaalsContact O-CB 3.27Å; A192-A196 WeakPolarHBondContact O-CB 3.46Å; A192-A196 PolarHBondContact O-N 3.15Å; A192-V202 HydrophobicContact CB-CB 4.38Å; A192-V202 WeakPolarHBondContact CB-O 3.4Å
193	I	98.3	Very high	97.6	Very high	131 Å²	131	53.3 Å²	53.3	67%	0.672	31%	0.312	S	S	*	.	H	α-helix	trans	-72	-50.3	178.3	-66.8	166.5	0	0	0	110.2	R189 N190 A191 Y195	R189-I193 WeakPolarHBondContact O-CG1 3.37Å; R189-I193 PolarHBondContact O-N 2.91Å; N190-I193 PolarHBondContact O-N 3.19Å; N190-I193 VanDerWaalsContact O-N 3.13Å; A191-I193 VanDerWaalsContact C-N 3.28Å; A191-I193 PolarHBondContact O-N 3.08Å; I193-Y195 VanDerWaalsContact C-N 3.3Å; I193-Y195 PolarHBondContact O-N 3.04Å
194	D	98.4	Very high	97.3	Very high	77 Å²	77	52.7 Å²	52.7	41%	0.412	31%	0.305	S	S	.	.	H	α-helix	trans	-66	-33.7	-172.1	-68.1	-5.3	0	0	0	112.1	N190 A191	N190-D194 PolarHBondContact ND2-OD2 2.97Å; N190-D194 PolarHBondContact O-N 3.47Å; A191-D194 PolarHBondContact O-N 3.22Å
195	Y	98.5	Very high	97	Very high	56 Å²	56	53.1 Å²	53.1	22%	0.22	31%	0.307	C	S	.	.	H	α-helix	trans	-105.3	-3	-172.3	-58.5	-75.5	0	0	0	115.2	L147 L151 A191 I193 A197 F198 I200	L147-Y195 HydrophobicContact CB-CE1 4.36Å; L147-Y195 HydrophobicContact CD1-CD2 3.72Å; L147-Y195 HydrophobicContact CD1-CE1 4.44Å; L147-Y195 HydrophobicContact CD1-CE2 3.37Å; L147-Y195 HydrophobicContact CD1-CG 4.44Å; L147-Y195 HydrophobicContact CD2-CD1 4.01Å; L147-Y195 HydrophobicContact CD2-CD2 3.68Å; L147-Y195 HydrophobicContact CD2-CE1 4.37Å; L147-Y195 HydrophobicContact CD2-CE2 4.13Å; L147-Y195 HydrophobicContact CD2-CG 3.65Å; L147-Y195 HydrophobicContact CG-CD2 4.3Å; L147-Y195 HydrophobicContact CG-CE2 4.26Å; L151-Y195 HydrophobicContact CD1-CD1 4.37Å; L151-Y195 HydrophobicContact CD1-CE1 3.94Å; L151-Y195 HydrophobicContact CD2-CD1 4.25Å; A191-Y195 HydrophobicContact CB-CD2 4.04Å; A191-Y195 HydrophobicContact CB-CE2 4.29Å; A191-Y195 WeakPolarHBondContact O-CB 3.44Å; A191-Y195 WeakPolarHBondContact O-CD2 3.34Å; A191-Y195 PolarHBondContact O-N 3.05Å; I193-Y195 VanDerWaalsContact C-N 3.3Å; I193-Y195 PolarHBondContact O-N 3.04Å; Y195-A197 VanDerWaalsContact C-N 3.28Å; Y195-A197 PolarHBondContact O-N 3.02Å; Y195-F198 HydrophobicContact CD1-CD2 4.28Å; Y195-F198 PolarHBondContact O-N 3Å; Y195-I200 CarbonylContact C-O 3.38Å; Y195-I200 PolarHBondContact O-N 3.36Å
196	A	97.8	Very high	96.5	Very high	62 Å²	62	55.4 Å²	55.4	51%	0.512	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-57	-39.3	176.5	0	0	0	0	0	112.9	A192 F198 G199	A192-A196 VanDerWaalsContact O-CB 3.27Å; A192-A196 WeakPolarHBondContact O-CB 3.46Å; A192-A196 PolarHBondContact O-N 3.15Å; A196-F198 PolarHBondContact O-N 2.96Å; A196-F198 VanDerWaalsContact O-N 3.13Å; A196-G199 PolarHBondContact O-N 3.45Å
197	A	97.6	Very high	95.3	Very high	96 Å²	96	54.2 Å²	54.2	79%	0.793	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-63.5	-17.7	179	0	0	0	0	0	113.6	Y195	Y195-A197 VanDerWaalsContact C-N 3.28Å; Y195-A197 PolarHBondContact O-N 3.02Å
198	F	98.1	Very high	93.9	Very high	119 Å²	119	53.6 Å²	53.6	52%	0.522	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-100.3	9.3	179.1	-54.3	-88	0	0	0	112.6	L151 G156 Y195 A196 I200	L151-F198 HydrophobicContact CD2-CB 3.84Å; L151-F198 HydrophobicContact CD2-CD1 3.47Å; L151-F198 VanDerWaalsContact CD2-CD1 3.47Å; L151-F198 HydrophobicContact CD2-CD2 3.88Å; L151-F198 HydrophobicContact CD2-CE1 3.92Å; L151-F198 HydrophobicContact CD2-CE2 4.28Å; L151-F198 HydrophobicContact CD2-CG 3.44Å; L151-F198 VanDerWaalsContact CD2-CG 3.44Å; L151-F198 HydrophobicContact CD2-CZ 4.29Å; G156-F198 WeakPolarHBondContact CA-O 3.45Å; Y195-F198 HydrophobicContact CD1-CD2 4.28Å; Y195-F198 PolarHBondContact O-N 3Å; A196-F198 PolarHBondContact O-N 2.96Å; A196-F198 VanDerWaalsContact O-N 3.13Å; F198-I200 HydrophobicContact CB-CD1 4.22Å; F198-I200 HydrophobicContact CB-CG1 4.37Å; F198-I200 PolarHBondContact O-N 2.49Å
199	G	97.3	Very high	92.2	Very high	47 Å²	47	55.6 Å²	55.6	49%	0.485	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	19.8	-177.1	0	0	0	0	0	113.6	G156 G157 A196	G156-G199 WeakPolarHBondContact CA-O 3.33Å; G157-G199 PolarHBondContact N-O 2.93Å; A196-G199 PolarHBondContact O-N 3.45Å
200	I	98.4	Very high	90.6	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.9	176.8	-56.3	166.3	0	0	0	108.6	L147 M150 L151 G157 Y195 F198 V202	L147-I200 HydrophobicContact CD2-CD1 4.27Å; L147-I200 HydrophobicContact CD2-CG2 3.89Å; M150-I200 HydrophobicContact CB-CD1 3.58Å; M150-I200 HydrophobicContact CB-CG1 4.15Å; M150-I200 HydrophobicContact SD-CG2 3.86Å; L151-I200 HydrophobicContact CD2-CD1 4.18Å; L151-I200 HydrophobicContact CG-CD1 4.3Å; G157-I200 WeakPolarHBondContact O-CA 2.85Å; Y195-I200 CarbonylContact C-O 3.38Å; Y195-I200 PolarHBondContact O-N 3.36Å; F198-I200 HydrophobicContact CB-CD1 4.22Å; F198-I200 HydrophobicContact CB-CG1 4.37Å; F198-I200 PolarHBondContact O-N 2.49Å; I200-V202 HydrophobicContact CG2-CG2 4.29Å
201	R	98.2	Very high	88.9	Confident	65 Å²	65	49.2 Å²	49.2	25%	0.245	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	135.9	178.2	-59.2	-178.2	-59.9	94.7	2.5	109.8	G157 A158 I159 D267 F268 L269	G157-R201 PolarHBondContact O-N 2.91Å; A158-R201 CarbonylContact C-O 3.13Å; A158-R201 VanDerWaalsContact CA-O 3.25Å; A158-R201 WeakPolarHBondContact CA-O 3.23Å; A158-R201 HydrophobicContact CB-CB 4.19Å; I159-R201 PolarHBondContact N-O 3.29Å; R201-D267 PolarHBondContact NH1-O 3.41Å; R201-D267 PolarHBondContact NH2-O 3.18Å; R201-F268 PolarHBondContact NH2-O 2.99Å; R201-F268 VanDerWaalsContact NH2-O 3.12Å; R201-L269 VanDerWaalsContact CZ-O 3.27Å; R201-L269 PolarHBondContact NH2-O 3.07Å
202	V	97.4	Very high	87.1	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	116.4	177.4	-169.8	0	0	0	0	109.4	L143 I159 T188 A191 A192 I200	L143-V202 HydrophobicContact CD2-CG1 4.11Å; I159-V202 HydrophobicContact CB-CG1 4.34Å; I159-V202 HydrophobicContact CB-CG2 4.43Å; I159-V202 WeakPolarHBondContact O-CA 3.25Å; T188-V202 HydrophobicContact CG2-CG1 4.29Å; A191-V202 HydrophobicContact CB-CB 4.2Å; A191-V202 HydrophobicContact CB-CG1 4.03Å; A191-V202 HydrophobicContact CB-CG2 4.06Å; A192-V202 HydrophobicContact CB-CB 4.38Å; A192-V202 WeakPolarHBondContact CB-O 3.4Å; I200-V202 HydrophobicContact CG2-CG2 4.29Å
203	N	96.5	Very high	85.4	Confident	62 Å²	62	51 Å²	51	33%	0.332	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	167.9	-177.2	-75.8	-31.2	0	0	0	111.7	I159 N161 T188 D267	I159-N203 PolarHBondContact O-N 3.14Å; N161-N203 PolarHBondContact N-O 3.02Å; T188-N203 VanDerWaalsContact CG2-C 3.41Å; N203-D267 PolarHBondContact ND2-OD1 2.75Å
204	S	92.1	Very high	83.8	Confident	29 Å²	29	47.5 Å²	47.5	20%	0.203	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	130.2	175.4	172.6	0	0	0	0	110.7	N161 N185 N206	N161-S204 VanDerWaalsContact O-CA 3.23Å; N161-S204 WeakPolarHBondContact O-CA 3.14Å; N161-S204 PolarHBondContact O-OG 2.98Å; N185-S204 PolarHBondContact OD1-OG 2.78Å; S204-N206 PolarHBondContact OG-ND2 3.49Å
205	V	89.3	Confident	82.2	Confident	9 Å²	9	45.6 Å²	45.6	6%	0.055	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	117.5	174.1	-63.3	0	0	0	0	109.2	V160 N161 V162 G163 M207 I263 D267	V160-V205 HydrophobicContact CG1-CG1 3.84Å; V160-V205 HydrophobicContact CG1-CG2 3.97Å; N161-V205 PolarHBondContact O-N 2.97Å; V162-V205 HydrophobicContact CG2-CG2 4.2Å; G163-V205 CarbonylContact C-O 3.55Å; G163-V205 WeakPolarHBondContact CA-O 2.74Å; G163-V205 PolarHBondContact N-O 2.96Å; V205-M207 HydrophobicContact CG2-CG 4.33Å; V205-M207 HydrophobicContact CG2-SD 4.33Å; V205-M207 PolarHBondContact O-N 3.37Å; V205-I263 HydrophobicContact CB-CG2 4.02Å; V205-I263 HydrophobicContact CG1-CG2 3.41Å; V205-I263 VanDerWaalsContact CG1-CG2 3.41Å; V205-D267 WeakPolarHBondContact CG1-OD2 3.31Å
206	N	83.2	Confident	80.3	Confident	52 Å²	52	48.9 Å²	48.9	28%	0.278	29%	0.289	S	S	.	.			trans	-102.5	87.2	-174	-72	-78.8	0	0	0	110.5	S164 L168 N185 S204	S164-N206 PolarHBondContact N-OD1 3.33Å; S164-N206 PolarHBondContact O-OD1 3.44Å; L168-N206 HydrophobicContact CD1-CB 3.71Å; L168-N206 HydrophobicContact CG-CB 4.28Å; N185-N206 PolarHBondContact ND2-OD1 3.01Å; N185-N206 PolarHBondContact OD1-ND2 3.39Å; N185-N206 PolarHBondContact OD1-OD1 3.24Å; S204-N206 PolarHBondContact OG-ND2 3.49Å
207	M	72.2	Confident	78.4	Confident	16 Å²	16	48.9 Å²	48.9	8%	0.079	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-82.5	147.5	-169.7	-48.4	-177.8	85.1	0	0	111.6	L39 V162 V165 V205 M210 I253 I263	L39-M207 HydrophobicContact CD1-CE 4.11Å; L39-M207 HydrophobicContact CD2-CE 4.05Å; L39-M207 HydrophobicContact CD2-SD 3.44Å; L39-M207 WeakPolarHBondContact CD2-SD 3.45Å; V162-M207 HydrophobicContact CG1-SD 4.22Å; V165-M207 PolarHBondContact N-O 3.39Å; V205-M207 HydrophobicContact CG2-CG 4.33Å; V205-M207 HydrophobicContact CG2-SD 4.33Å; V205-M207 PolarHBondContact O-N 3.37Å; M207-M210 HydrophobicContact CB-CE 3.84Å; M207-M210 HydrophobicContact CE-CE 3.26Å; M207-M210 HydrophobicContact CE-SD 3.31Å; M207-M210 WeakPolarHBondContact CE-SD 2.97Å; M207-M210 HydrophobicContact CG-CE 4.14Å; M207-M210 HydrophobicContact SD-CE 3.23Å; M207-M210 WeakPolarHBondContact SD-CE 3.38Å; M207-M210 HydrophobicContact SD-SD 4.15Å; M207-I253 HydrophobicContact CE-CD1 3.52Å; M207-I263 HydrophobicContact CE-CD1 4.47Å
208	A	69.2	Low	76.7	Confident	24 Å²	24	45.7 Å²	45.7	20%	0.198	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-84	173.5	167	0	0	0	0	0	110.3	V165 M210 I252	V165-A208 HydrophobicContact CG1-CB 4.46Å; A208-M210 WeakPolarHBondContact O-CG 3.2Å; A208-M210 PolarHBondContact O-N 3.5Å; A208-I252 HydrophobicContact CB-CD1 3.37Å
209	P	62.2	Low	74.7	Confident	51 Å²	51	44.5 Å²	44.5	33%	0.331	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-52.2	132.7	179.2	-29.1	37.8	0	0	0	112.7	M215 L251	P209-M215 HydrophobicContact CB-SD 4.2Å; P209-L251 HydrophobicContact CB-CD2 3.76Å
210	M	62.5	Low	72.5	Confident	25 Å²	25	46.9 Å²	46.9	12%	0.123	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-127.7	152.8	-178.6	-62.9	-169.6	-89.2	0	0	110.7	L39 M207 A208 T212 M215 I253	L39-M210 HydrophobicContact CD2-CE 4.16Å; M207-M210 HydrophobicContact CB-CE 3.84Å; M207-M210 HydrophobicContact CE-CE 3.26Å; M207-M210 HydrophobicContact CE-SD 3.31Å; M207-M210 WeakPolarHBondContact CE-SD 2.97Å; M207-M210 HydrophobicContact CG-CE 4.14Å; M207-M210 HydrophobicContact SD-CE 3.23Å; M207-M210 WeakPolarHBondContact SD-CE 3.38Å; M207-M210 HydrophobicContact SD-SD 4.15Å; A208-M210 WeakPolarHBondContact O-CG 3.2Å; A208-M210 PolarHBondContact O-N 3.5Å; M210-T212 VanDerWaalsContact C-N 3.33Å; M210-T212 HydrophobicContact CB-CG2 4.01Å; M210-T212 PolarHBondContact O-N 2.92Å; M210-M215 WeakPolarHBondContact O-CB 3.37Å; M210-I253 HydrophobicContact CB-CB 4.35Å; M210-I253 HydrophobicContact CG-CB 3.73Å; M210-I253 HydrophobicContact CG-CD1 3.79Å; M210-I253 HydrophobicContact CG-CG1 4.04Å; M210-I253 HydrophobicContact SD-CB 3.82Å; M210-I253 HydrophobicContact SD-CD1 3.27Å; M210-I253 WeakPolarHBondContact SD-CD1 3.41Å; M210-I253 HydrophobicContact SD-CG1 3.99Å; M210-I253 HydrophobicContact SD-CG2 4.03Å
211	D	63.5	Low	70.5	Confident	74 Å²	74	50.1 Å²	50.1	40%	0.396	28%	0.279	S	S	.	.	S	Bend	trans	-71.6	89.2	174.3	-173.5	13.7	0	0	0	110.6	L251 P255	D211-L251 HydrophobicContact CB-CD1 4.15Å; D211-P255 HydrophobicContact CB-CB 4.07Å; D211-P255 VanDerWaalsContact OD2-CB 3.28Å; D211-P255 WeakPolarHBondContact OD2-CB 3.42Å
212	T	61.7	Low	68.6	Low	25 Å²	25	49.4 Å²	49.4	15%	0.153	28%	0.284	C	S	.	.	S	Bend	trans	-130.1	167.2	178.6	61.1	0	0	0	0	110.1	M210 M214 M215 K216	M210-T212 VanDerWaalsContact C-N 3.33Å; M210-T212 HydrophobicContact CB-CG2 4.01Å; M210-T212 PolarHBondContact O-N 2.92Å; T212-M214 PolarHBondContact O-N 3.18Å; T212-M214 VanDerWaalsContact O-N 3.17Å; T212-M214 WeakPolarHBondContact OG1-CB 3.39Å; T212-M215 PolarHBondContact O-N 3.2Å; T212-M215 PolarHBondContact OG1-N 2.75Å; T212-K216 PolarHBondContact O-N 3.42Å
213	S	60.4	Low	66.4	Low	47 Å²	47	51.9 Å²	51.9	33%	0.329	30%	0.304	S	S	.	.	H	α-helix	trans	-52.1	-35.5	171.1	48.7	0	0	0	0	112.1	Q37 K216 A217	Q37-S213 PolarHBondContact NE2-OG 2.85Å; Q37-S213 VanDerWaalsContact NE2-OG 3.08Å; S213-K216 PolarHBondContact O-N 2.82Å; S213-A217 PolarHBondContact O-N 3.23Å
214	M	65.5	Low	64.4	Low	56 Å²	56	52.4 Å²	52.4	28%	0.276	31%	0.31	S	S	.	.	H	α-helix	trans	-60.2	-45.6	174.9	-169.9	176.3	-169.9	0	0	112.6	L116 Y177 T212 A217 I218	L116-M214 HydrophobicContact CB-CE 4.18Å; L116-M214 HydrophobicContact CD1-CE 3.31Å; L116-M214 HydrophobicContact CD1-CG 3.24Å; L116-M214 HydrophobicContact CD1-SD 4.02Å; L116-M214 HydrophobicContact CD2-CE 4.43Å; L116-M214 HydrophobicContact CG-CE 3.33Å; L116-M214 HydrophobicContact CG-CG 4.29Å; Y177-M214 HydrophobicContact CD2-CE 4.29Å; Y177-M214 HydrophobicContact CE2-CE 3.55Å; T212-M214 PolarHBondContact O-N 3.18Å; T212-M214 VanDerWaalsContact O-N 3.17Å; T212-M214 WeakPolarHBondContact OG1-CB 3.39Å; M214-A217 WeakPolarHBondContact O-CB 3.48Å; M214-A217 PolarHBondContact O-N 2.91Å; M214-I218 PolarHBondContact O-N 3.11Å
215	M	64.6	Low	62.7	Low	37 Å²	37	52.8 Å²	52.8	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-71.9	-33.1	177.6	-166.5	66.1	-143.3	0	0	112.3	P209 M210 T212 A217 I218 N219 L251	P209-M215 HydrophobicContact CB-SD 4.2Å; M210-M215 WeakPolarHBondContact O-CB 3.37Å; T212-M215 PolarHBondContact O-N 3.2Å; T212-M215 PolarHBondContact OG1-N 2.75Å; M215-A217 VanDerWaalsContact C-N 3.3Å; M215-A217 PolarHBondContact O-N 3.48Å; M215-I218 HydrophobicContact CE-CB 3.98Å; M215-I218 HydrophobicContact CE-CD1 4.29Å; M215-I218 HydrophobicContact CE-CG2 3.75Å; M215-I218 WeakPolarHBondContact O-CB 3.34Å; M215-I218 PolarHBondContact O-N 2.92Å; M215-I218 HydrophobicContact SD-CB 4.25Å; M215-I218 HydrophobicContact SD-CD1 3.67Å; M215-N219 WeakPolarHBondContact CE-OD1 3.3Å; M215-N219 PolarHBondContact O-N 2.97Å; M215-L251 HydrophobicContact CG-CD1 4.13Å
216	K	58.9	Low	61.1	Low	126 Å²	126	55.3 Å²	55.3	55%	0.548	33%	0.328	S	S	.	.	H	α-helix	trans	-61	-41.5	171.3	-66.8	176.5	-176.5	178.7	0	111	T212 S213 N219 V220	T212-K216 PolarHBondContact O-N 3.42Å; S213-K216 PolarHBondContact O-N 2.82Å; K216-N219 PolarHBondContact O-N 2.93Å; K216-V220 WeakPolarHBondContact O-CG2 3.37Å; K216-V220 PolarHBondContact O-N 2.94Å; K216-V220 VanDerWaalsContact O-N 3.08Å
217	A	57.1	Low	59.8	Low	61 Å²	61	61.5 Å²	61.5	50%	0.504	35%	0.353	S	S	.	.	H	α-helix	trans	-63.6	-40.5	173.7	0	0	0	0	0	112.4	S213 M214 M215 N219 V220 L221	S213-A217 PolarHBondContact O-N 3.23Å; M214-A217 WeakPolarHBondContact O-CB 3.48Å; M214-A217 PolarHBondContact O-N 2.91Å; M215-A217 VanDerWaalsContact C-N 3.3Å; M215-A217 PolarHBondContact O-N 3.48Å; A217-N219 PolarHBondContact O-N 3.25Å; A217-V220 PolarHBondContact O-N 2.99Å; A217-L221 WeakPolarHBondContact O-CB 3.12Å; A217-L221 PolarHBondContact O-N 2.77Å
218	I	61.5	Low	58.9	Low	30 Å²	30	66.3 Å²	66.3	15%	0.154	38%	0.375	C	S	.	.	H	α-helix	trans	-59	-46.7	172.4	-66.9	165.9	0	0	0	110.8	L116 F174 M214 M215 V220 L221 S222	L116-I218 HydrophobicContact CD1-CD1 3.34Å; L116-I218 HydrophobicContact CD1-CG1 3.45Å; L116-I218 VanDerWaalsContact CD1-CG1 3.45Å; L116-I218 HydrophobicContact CD2-CD1 4.16Å; L116-I218 HydrophobicContact CD2-CG1 4.4Å; L116-I218 HydrophobicContact CG-CD1 4.4Å; F174-I218 HydrophobicContact CZ-CG2 4.38Å; M214-I218 PolarHBondContact O-N 3.11Å; M215-I218 HydrophobicContact CE-CB 3.98Å; M215-I218 HydrophobicContact CE-CD1 4.29Å; M215-I218 HydrophobicContact CE-CG2 3.75Å; M215-I218 WeakPolarHBondContact O-CB 3.34Å; M215-I218 PolarHBondContact O-N 2.92Å; M215-I218 HydrophobicContact SD-CB 4.25Å; M215-I218 HydrophobicContact SD-CD1 3.67Å; I218-V220 VanDerWaalsContact C-N 3.32Å; I218-V220 PolarHBondContact O-N 3.48Å; I218-L221 PolarHBondContact O-N 3.47Å; I218-L221 VanDerWaalsContact O-N 3.15Å; I218-S222 WeakPolarHBondContact O-CB 3.42Å; I218-S222 PolarHBondContact O-N 2.67Å; I218-S222 PolarHBondContact O-OG 3.48Å; I218-S222 VanDerWaalsContact O-OG 3.12Å
219	N	56.3	Low	57.7	Low	94 Å²	94	72.3 Å²	72.3	50%	0.503	40%	0.404	S	S	.	.	H	α-helix	trans	-62.8	-39.6	-177.8	-73	-21.1	0	0	0	111.9	M215 K216 A217 A223	M215-N219 WeakPolarHBondContact CE-OD1 3.3Å; M215-N219 PolarHBondContact O-N 2.97Å; K216-N219 PolarHBondContact O-N 2.93Å; A217-N219 PolarHBondContact O-N 3.25Å; N219-A223 VanDerWaalsContact O-CB 3.3Å; N219-A223 WeakPolarHBondContact O-CB 3.29Å; N219-A223 PolarHBondContact O-N 3.15Å
220	V	52.4	Low	56.9	Low	97 Å²	97	73 Å²	73	59%	0.588	41%	0.409	S	S	*	.	H	α-helix	trans	-62.4	-47.6	172.9	174.3	0	0	0	0	110.4	K216 A217 I218 S222 A223 V224	K216-V220 WeakPolarHBondContact O-CG2 3.37Å; K216-V220 PolarHBondContact O-N 2.94Å; K216-V220 VanDerWaalsContact O-N 3.08Å; A217-V220 PolarHBondContact O-N 2.99Å; I218-V220 VanDerWaalsContact C-N 3.32Å; I218-V220 PolarHBondContact O-N 3.48Å; V220-S222 PolarHBondContact O-N 3.49Å; V220-A223 PolarHBondContact O-N 2.95Å; V220-V224 WeakPolarHBondContact O-CG2 3.39Å; V220-V224 PolarHBondContact O-N 3.12Å
221	L	56.1	Low	56	Low	70 Å²	70	77.5 Å²	77.5	37%	0.366	44%	0.438	S	S	.	.	H	α-helix	trans	-64	-41.7	-179.6	-172.3	60	0	0	0	112.4	A217 I218 V224 R225	A217-L221 WeakPolarHBondContact O-CB 3.12Å; A217-L221 PolarHBondContact O-N 2.77Å; I218-L221 PolarHBondContact O-N 3.47Å; I218-L221 VanDerWaalsContact O-N 3.15Å; L221-V224 PolarHBondContact O-N 3.36Å; L221-R225 VanDerWaalsContact O-CG 3.29Å; L221-R225 WeakPolarHBondContact O-CG 3.41Å; L221-R225 PolarHBondContact O-N 3.16Å
222	S	57.2	Low	54.8	Low	49 Å²	49	79.7 Å²	79.7	34%	0.343	45%	0.447	S	S	.	.	H	α-helix	trans	-64.8	-39	174.9	-67.3	0	0	0	0	111.8	I218 V220 R225 A226	I218-S222 WeakPolarHBondContact O-CB 3.42Å; I218-S222 PolarHBondContact O-N 2.67Å; I218-S222 PolarHBondContact O-OG 3.48Å; I218-S222 VanDerWaalsContact O-OG 3.12Å; V220-S222 PolarHBondContact O-N 3.49Å; S222-R225 PolarHBondContact O-N 3.23Å; S222-A226 WeakPolarHBondContact O-CB 3.1Å; S222-A226 PolarHBondContact O-N 2.93Å
223	A	51.4	Low	53.7	Low	55 Å²	55	80.6 Å²	80.6	46%	0.455	46%	0.458	S	S	.	.	H	α-helix	trans	-65.9	-38.3	175.4	0	0	0	0	0	112.3	N219 V220 K227	N219-A223 VanDerWaalsContact O-CB 3.3Å; N219-A223 WeakPolarHBondContact O-CB 3.29Å; N219-A223 PolarHBondContact O-N 3.15Å; V220-A223 PolarHBondContact O-N 2.95Å; A223-K227 PolarHBondContact O-N 3.31Å
224	V	55.2	Low	52.4	Low	74 Å²	74	87.8 Å²	87.8	45%	0.448	48%	0.483	S	S	.	.	H	α-helix	trans	-64.2	-45.8	172.2	174.9	0	0	0	0	110.4	V220 L221 A226 K227 E228	V220-V224 WeakPolarHBondContact O-CG2 3.39Å; V220-V224 PolarHBondContact O-N 3.12Å; L221-V224 PolarHBondContact O-N 3.36Å; V224-A226 VanDerWaalsContact C-N 3.35Å; V224-A226 PolarHBondContact O-N 3.14Å; V224-K227 WeakPolarHBondContact O-CB 3.37Å; V224-K227 PolarHBondContact O-N 3Å; V224-K227 VanDerWaalsContact O-N 3.15Å; V224-E228 PolarHBondContact O-N 2.91Å
225	R	56.8	Low	50.8	Low	37 Å²	37	91.4 Å²	91.4	14%	0.14	50%	0.503	C	S	.	.	H	α-helix	trans	-64.5	-34.2	178.1	-71.3	174.2	-172.9	175.6	8.2	113.7	P119 L221 S222 K227 E228	P119-R225 VanDerWaalsContact CD-NH2 3.28Å; L221-R225 VanDerWaalsContact O-CG 3.29Å; L221-R225 WeakPolarHBondContact O-CG 3.41Å; L221-R225 PolarHBondContact O-N 3.16Å; S222-R225 PolarHBondContact O-N 3.23Å; R225-K227 PolarHBondContact O-N 2.79Å; R225-E228 PolarHBondContact O-N 3.31Å; R225-E228 VanDerWaalsContact O-N 3.13Å
226	A	56.2	Low	49.9	Very low	61 Å²	61	92.3 Å²	92.3	50%	0.504	51%	0.508	S	S	.	.	H	α-helix	trans	-65.1	-30	176	0	0	0	0	0	112	S222 V224 E228	S222-A226 WeakPolarHBondContact O-CB 3.1Å; S222-A226 PolarHBondContact O-N 2.93Å; V224-A226 VanDerWaalsContact C-N 3.35Å; V224-A226 PolarHBondContact O-N 3.14Å; A226-E228 VanDerWaalsContact C-N 3.35Å
227	K	54.2	Low	49.2	Very low	183 Å²	183	95.2 Å²	95.2	80%	0.796	52%	0.52	S	S	*	.	H	α-helix	trans	-72.9	-26.2	172.8	-67.1	178.7	178.9	-177.9	0	112.8	A223 V224 R225 N229	A223-K227 PolarHBondContact O-N 3.31Å; V224-K227 WeakPolarHBondContact O-CB 3.37Å; V224-K227 PolarHBondContact O-N 3Å; V224-K227 VanDerWaalsContact O-N 3.15Å; R225-K227 PolarHBondContact O-N 2.79Å; K227-N229 PolarHBondContact O-N 3.45Å
228	E	54.1	Low	48.7	Very low	117 Å²	117	97.6 Å²	97.6	55%	0.547	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	19.5	177.7	-65.9	-174.3	169.1	0	0	114	K122 V224 R225 A226 C230	K122-E228 IonicContact NZ-OE2 3.12Å; K122-E228 PolarHBondContact NZ-OE2 3.18Å; K122-E228 VanDerWaalsContact NZ-OE2 3.12Å; V224-E228 PolarHBondContact O-N 2.91Å; R225-E228 PolarHBondContact O-N 3.31Å; R225-E228 VanDerWaalsContact O-N 3.13Å; A226-E228 VanDerWaalsContact C-N 3.35Å; E228-C230 PolarHBondContact O-N 3.33Å
229	N	44.9	Very low	48.2	Very low	150 Å²	150	99.5 Å²	99.5	80%	0.802	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	30.3	178.8	-90.4	-6.5	0	0	0	115.2	K227 T231	K227-N229 PolarHBondContact O-N 3.45Å; N229-T231 PolarHBondContact O-N 3.48Å; N229-T231 VanDerWaalsContact O-N 3.11Å
230	C	45.2	Very low	48.3	Very low	65 Å²	65	96.5 Å²	96.5	44%	0.439	52%	0.518	S	S	.	.			trans	-81.2	94.8	176.2	-148.1	0	0	0	0	110.5	E228 M232 A233	E228-C230 PolarHBondContact O-N 3.33Å; C230-M232 PolarHBondContact O-N 2.8Å; C230-A233 WeakPolarHBondContact O-CB 3.4Å; C230-A233 PolarHBondContact O-N 3.28Å
231	T	42.9	Very low	48.5	Very low	119 Å²	119	98.9 Å²	98.9	73%	0.73	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-52.4	-25.5	178.1	-2.6	0	0	0	0	113.3	N229 A233 K234	N229-T231 PolarHBondContact O-N 3.48Å; N229-T231 VanDerWaalsContact O-N 3.11Å; T231-A233 VanDerWaalsContact C-N 3.27Å; T231-A233 PolarHBondContact O-N 2.95Å; T231-K234 PolarHBondContact O-N 3.18Å
232	M	38.6	Very low	48.6	Very low	120 Å²	120	99.8 Å²	99.8	59%	0.591	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-66.5	-23.1	179	-66.7	-60.6	-77.4	0	0	113.9	C230 K234 L235 I236	C230-M232 PolarHBondContact O-N 2.8Å; M232-K234 PolarHBondContact O-N 3.41Å; M232-L235 PolarHBondContact O-N 2.86Å; M232-L235 HydrophobicContact SD-CD1 4Å; M232-I236 PolarHBondContact O-N 3.28Å
233	A	38.2	Very low	48.7	Very low	45 Å²	45	98.9 Å²	98.9	37%	0.372	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-62.3	-27.1	177.8	0	0	0	0	0	112.7	C230 T231	C230-A233 WeakPolarHBondContact O-CB 3.4Å; C230-A233 PolarHBondContact O-N 3.28Å; T231-A233 VanDerWaalsContact C-N 3.27Å; T231-A233 PolarHBondContact O-N 2.95Å
234	K	32.8	Very low	49.3	Very low	198 Å²	198	99.9 Å²	99.9	86%	0.861	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-80.3	-18.1	175.2	-76	-176.1	175.9	176.6	0	114.1	T231 M232	T231-K234 PolarHBondContact O-N 3.18Å; M232-K234 PolarHBondContact O-N 3.41Å
235	L	33.3	Very low	49.6	Very low	131 Å²	131	97.8 Å²	97.8	69%	0.686	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-12.7	-174.7	-80	162.2	0	0	0	113.5	M232 K237	M232-L235 PolarHBondContact O-N 2.86Å; M232-L235 HydrophobicContact SD-CD1 4Å; L235-K237 PolarHBondContact O-N 3.19Å
236	I	44	Very low	49.8	Very low	57 Å²	57	96.6 Å²	96.6	29%	0.292	51%	0.506	S	S	.	.	S	Bend	trans	-70.2	116.2	173.1	-60	171.9	0	0	0	106.9	S173 M232 D238	S173-I236 WeakPolarHBondContact OG-CD1 3.38Å; M232-I236 PolarHBondContact O-N 3.28Å; I236-D238 HydrophobicContact CG2-CB 4.4Å; I236-D238 PolarHBondContact O-N 3.19Å
237	K	43.9	Very low	50.6	Low	186 Å²	186	96.3 Å²	96.3	81%	0.809	50%	0.5	S	S	*	.			trans	-68.1	77.4	169.1	-155.2	179	-171.6	-179.3	0	107.8	L235 K239	L235-K237 PolarHBondContact O-N 3.19Å; K237-K239 VanDerWaalsContact C-N 3.33Å
238	D	48.5	Very low	51.3	Low	112 Å²	112	92.9 Å²	92.9	60%	0.599	49%	0.491	S	S	*	.			trans	-75.7	-25.5	-176.7	59	-11.9	0	0	0	111.9	I236	I236-D238 HydrophobicContact CG2-CB 4.4Å; I236-D238 PolarHBondContact O-N 3.19Å
239	K	50	Low	51.9	Low	70 Å²	70	89.8 Å²	89.8	30%	0.304	48%	0.478	S	S	.	.	S	Bend	trans	-82.7	116.2	172.8	-58	-170.1	-179.1	-179.2	0	111.1	K237 M243 N249	K237-K239 VanDerWaalsContact C-N 3.33Å; K239-M243 HydrophobicContact CB-CB 4.32Å; K239-M243 HydrophobicContact CB-CG 4.27Å; K239-M243 HydrophobicContact CB-SD 3.98Å; K239-M243 HydrophobicContact CD-SD 4.49Å; K239-M243 HydrophobicContact CG-CE 4.22Å; K239-M243 HydrophobicContact CG-CG 4.33Å; K239-M243 HydrophobicContact CG-SD 3.77Å; K239-N249 PolarHBondContact NZ-ND2 2.76Å
240	S	57.7	Low	52.5	Low	31 Å²	31	85.9 Å²	85.9	22%	0.217	45%	0.452	C	S	.	.			trans	-58.1	158.4	167.7	71.7	0	0	0	0	110.6	L242 M243 N244 I252	S240-L242 PolarHBondContact O-N 2.88Å; S240-M243 PolarHBondContact O-N 3.19Å; S240-M243 VanDerWaalsContact O-N 3.08Å; S240-M243 WeakPolarHBondContact OG-CB 3.25Å; S240-M243 PolarHBondContact OG-N 3.01Å; S240-N244 PolarHBondContact O-N 2.8Å; S240-I252 WeakPolarHBondContact OG-CD1 3.37Å
241	I	57	Low	53.1	Low	146 Å²	146	84.5 Å²	84.5	75%	0.749	44%	0.44	S	S	*	.	H	α-helix	trans	-54.9	-36.9	176.4	-169.2	168.3	0	0	0	111.8	N244 A245	I241-N244 PolarHBondContact O-N 3Å; I241-A245 WeakPolarHBondContact O-CB 3.46Å; I241-A245 PolarHBondContact O-N 3.38Å
242	L	57.8	Low	53.6	Low	89 Å²	89	82 Å²	82	47%	0.466	42%	0.422	S	S	.	.	H	α-helix	trans	-70.5	-40.6	177.5	-62.6	177.1	0	0	0	112.1	S240 N244 A245 D246 I252	S240-L242 PolarHBondContact O-N 2.88Å; L242-N244 VanDerWaalsContact C-N 3.29Å; L242-N244 PolarHBondContact O-N 2.78Å; L242-A245 CarbonylContact O-C 3.47Å; L242-A245 PolarHBondContact O-N 2.61Å; L242-A245 VanDerWaalsContact O-N 3.1Å; L242-D246 PolarHBondContact O-N 3.44Å; L242-I252 HydrophobicContact CB-CD1 3.85Å; L242-I252 HydrophobicContact CB-CG1 3.64Å; L242-I252 HydrophobicContact CD1-CD1 3.71Å; L242-I252 HydrophobicContact CD1-CG1 3.88Å; L242-I252 HydrophobicContact CD1-CG2 4.05Å; L242-I252 HydrophobicContact CG-CD1 4.24Å; L242-I252 HydrophobicContact CG-CG1 4.38Å
243	M	60.6	Low	53.8	Low	30 Å²	30	78.3 Å²	78.3	15%	0.148	40%	0.404	C	S	.	.	H	α-helix	trans	-63.1	-38.8	173.7	-173	179.8	-175.5	0	0	110.8	K239 S240 A245 D246 N249 R250 L251	K239-M243 HydrophobicContact CB-CB 4.32Å; K239-M243 HydrophobicContact CB-CG 4.27Å; K239-M243 HydrophobicContact CB-SD 3.98Å; K239-M243 HydrophobicContact CD-SD 4.49Å; K239-M243 HydrophobicContact CG-CE 4.22Å; K239-M243 HydrophobicContact CG-CG 4.33Å; K239-M243 HydrophobicContact CG-SD 3.77Å; S240-M243 PolarHBondContact O-N 3.19Å; S240-M243 VanDerWaalsContact O-N 3.08Å; S240-M243 WeakPolarHBondContact OG-CB 3.25Å; S240-M243 PolarHBondContact OG-N 3.01Å; M243-A245 VanDerWaalsContact C-N 3.3Å; M243-A245 PolarHBondContact O-N 3.28Å; M243-D246 PolarHBondContact O-N 2.92Å; M243-N249 HydrophobicContact CE-CB 4.27Å; M243-N249 WeakPolarHBondContact CE-O 2.98Å; M243-N249 HydrophobicContact CG-CB 4.13Å; M243-N249 WeakPolarHBondContact CG-O 3.36Å; M243-N249 WeakPolarHBondContact O-CA 3.34Å; M243-N249 PolarHBondContact O-OD1 2.79Å; M243-R250 WeakPolarHBondContact CG-O 3.34Å; M243-L251 HydrophobicContact CE-CD2 4.19Å; M243-L251 HydrophobicContact SD-CD2 4Å
244	N	62.6	Low	53.5	Low	77 Å²	77	79.1 Å²	79.1	41%	0.412	40%	0.402	S	S	.	.	H	α-helix	trans	-70.6	-24.2	173.7	-98.8	-24.8	0	0	0	113.3	K9 S240 I241 L242	K9-N244 WeakPolarHBondContact CE-O 3.44Å; K9-N244 PolarHBondContact NZ-O 3.14Å; S240-N244 PolarHBondContact O-N 2.8Å; I241-N244 PolarHBondContact O-N 3Å; L242-N244 VanDerWaalsContact C-N 3.29Å; L242-N244 PolarHBondContact O-N 2.78Å
245	A	62.4	Low	53.5	Low	29 Å²	29	72.4 Å²	72.4	24%	0.24	38%	0.378	C	S	.	.	H	α-helix	trans	-83.9	-16.3	174.5	0	0	0	0	0	113.1	K9 I10 I241 L242 M243	K9-A245 CarbonylContact C-O 3.57Å; K9-A245 WeakPolarHBondContact CA-O 3.43Å; K9-A245 WeakPolarHBondContact CD-O 3.2Å; I10-A245 PolarHBondContact N-O 2.9Å; I241-A245 WeakPolarHBondContact O-CB 3.46Å; I241-A245 PolarHBondContact O-N 3.38Å; L242-A245 CarbonylContact O-C 3.47Å; L242-A245 PolarHBondContact O-N 2.61Å; L242-A245 VanDerWaalsContact O-N 3.1Å; M243-A245 VanDerWaalsContact C-N 3.3Å; M243-A245 PolarHBondContact O-N 3.28Å
246	D	61.5	Low	53.4	Low	13 Å²	13	77.2 Å²	77.2	7%	0.07	39%	0.387	C	S	.	.	S	Bend	trans	-81.3	133.8	175.3	-176.8	80.9	0	0	0	111.1	K9 L242 M243 N248 N249 R250	K9-D246 PolarHBondContact NZ-O 3.22Å; L242-D246 PolarHBondContact O-N 3.44Å; M243-D246 PolarHBondContact O-N 2.92Å; D246-N248 PolarHBondContact O-N 3.08Å; D246-N248 VanDerWaalsContact OD2-C 3.24Å; D246-N248 VanDerWaalsContact OD2-CA 3.32Å; D246-N248 WeakPolarHBondContact OD2-CA 3.32Å; D246-N248 WeakPolarHBondContact OD2-CB 3.36Å; D246-N248 PolarHBondContact OD2-N 3.19Å; D246-N249 PolarHBondContact O-N 3.48Å; D246-N249 VanDerWaalsContact O-N 3.14Å; D246-N249 PolarHBondContact OD2-N 3.37Å; D246-R250 IonicContact OD1-CZ 2.71Å; D246-R250 IonicContact OD1-NE 2.79Å; D246-R250 PolarHBondContact OD1-NE 3.39Å; D246-R250 IonicContact OD1-NH2 3.74Å; D246-R250 PolarHBondContact OD1-NH2 3.15Å; D246-R250 WeakPolarHBondContact OD2-CB 3.17Å; D246-R250 WeakPolarHBondContact OD2-CG 3.35Å; D246-R250 PolarHBondContact OD2-N 2.97Å; D246-R250 IonicContact OD2-NE 3.59Å; D246-R250 PolarHBondContact OD2-NE 3.13Å; D246-R250 VanDerWaalsContact OD2-NE 3.11Å
247	S	72.9	Confident	52.6	Low	54 Å²	54	82.2 Å²	82.2	38%	0.378	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-31.1	-178.1	67.9	0	0	0	0	112.2	D11	D11-S247 WeakPolarHBondContact OD1-CB 3.38Å; D11-S247 PolarHBondContact OD1-N 3.1Å; D11-S247 PolarHBondContact OD1-OG 3.03Å; D11-S247 WeakPolarHBondContact OD2-CB 3.13Å; D11-S247 PolarHBondContact OD2-OG 3.45Å
248	N	68.8	Low	52.3	Low	111 Å²	111	76 Å²	76	59%	0.594	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	4.3	-179.6	-66.1	-67.2	0	0	0	113	D246 R250	D246-N248 PolarHBondContact O-N 3.08Å; D246-N248 VanDerWaalsContact OD2-C 3.24Å; D246-N248 VanDerWaalsContact OD2-CA 3.32Å; D246-N248 WeakPolarHBondContact OD2-CA 3.32Å; D246-N248 WeakPolarHBondContact OD2-CB 3.36Å; D246-N248 PolarHBondContact OD2-N 3.19Å; N248-R250 HydrophobicContact CB-CG 3.73Å; N248-R250 PolarHBondContact O-N 3.42Å
249	N	65.3	Low	51.7	Low	52 Å²	52	72 Å²	72	28%	0.278	37%	0.368	S	S	.	.			trans	46.2	40.9	-171.2	-57	-57.8	0	0	0	112.8	K239 M243 D246	K239-N249 PolarHBondContact NZ-ND2 2.76Å; M243-N249 HydrophobicContact CE-CB 4.27Å; M243-N249 WeakPolarHBondContact CE-O 2.98Å; M243-N249 HydrophobicContact CG-CB 4.13Å; M243-N249 WeakPolarHBondContact CG-O 3.36Å; M243-N249 WeakPolarHBondContact O-CA 3.34Å; M243-N249 PolarHBondContact O-OD1 2.79Å; D246-N249 PolarHBondContact O-N 3.48Å; D246-N249 VanDerWaalsContact O-N 3.14Å; D246-N249 PolarHBondContact OD2-N 3.37Å
250	R	59.3	Low	51.1	Low	68 Å²	68	69.1 Å²	69.1	26%	0.257	36%	0.358	S	S	.	.			trans	-66.5	142	178.4	-67	171.9	-64.2	170.2	5.2	109.8	I12 M243 D246 N248	I12-R250 PolarHBondContact O-NH2 3.25Å; M243-R250 WeakPolarHBondContact CG-O 3.34Å; D246-R250 IonicContact OD1-CZ 2.71Å; D246-R250 IonicContact OD1-NE 2.79Å; D246-R250 PolarHBondContact OD1-NE 3.39Å; D246-R250 IonicContact OD1-NH2 3.74Å; D246-R250 PolarHBondContact OD1-NH2 3.15Å; D246-R250 WeakPolarHBondContact OD2-CB 3.17Å; D246-R250 WeakPolarHBondContact OD2-CG 3.35Å; D246-R250 PolarHBondContact OD2-N 2.97Å; D246-R250 IonicContact OD2-NE 3.59Å; D246-R250 PolarHBondContact OD2-NE 3.13Å; D246-R250 VanDerWaalsContact OD2-NE 3.11Å; N248-R250 HydrophobicContact CB-CG 3.73Å; N248-R250 PolarHBondContact O-N 3.42Å
251	L	57.7	Low	50.6	Low	37 Å²	37	68.1 Å²	68.1	19%	0.194	35%	0.35	C	S	.	.			trans	-57.7	143.8	165.8	-68.5	172.8	0	0	0	108.4	P209 D211 M215 M243 I253	P209-L251 HydrophobicContact CB-CD2 3.76Å; D211-L251 HydrophobicContact CB-CD1 4.15Å; M215-L251 HydrophobicContact CG-CD1 4.13Å; M243-L251 HydrophobicContact CE-CD2 4.19Å; M243-L251 HydrophobicContact SD-CD2 4Å; L251-I253 CarbonylContact O-C 3.42Å; L251-I253 PolarHBondContact O-N 3.41Å
252	I	51.9	Low	49.6	Very low	67 Å²	67	62.9 Å²	62.9	34%	0.344	33%	0.325	S	S	.	.	S	Bend	trans	-56.4	-20.2	-170.6	-66.3	158.4	0	0	0	111.8	A208 S240 L242	A208-I252 HydrophobicContact CB-CD1 3.37Å; S240-I252 WeakPolarHBondContact OG-CD1 3.37Å; L242-I252 HydrophobicContact CB-CD1 3.85Å; L242-I252 HydrophobicContact CB-CG1 3.64Å; L242-I252 HydrophobicContact CD1-CD1 3.71Å; L242-I252 HydrophobicContact CD1-CG1 3.88Å; L242-I252 HydrophobicContact CD1-CG2 4.05Å; L242-I252 HydrophobicContact CG-CD1 4.24Å; L242-I252 HydrophobicContact CG-CG1 4.38Å
253	I	43.3	Very low	48.9	Very low	41 Å²	41	62.6 Å²	62.6	21%	0.21	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-118.5	107.7	173.6	-58.8	177.2	0	0	0	109.7	M207 M210 L251	M207-I253 HydrophobicContact CE-CD1 3.52Å; M210-I253 HydrophobicContact CB-CB 4.35Å; M210-I253 HydrophobicContact CG-CB 3.73Å; M210-I253 HydrophobicContact CG-CD1 3.79Å; M210-I253 HydrophobicContact CG-CG1 4.04Å; M210-I253 HydrophobicContact SD-CB 3.82Å; M210-I253 HydrophobicContact SD-CD1 3.27Å; M210-I253 WeakPolarHBondContact SD-CD1 3.41Å; M210-I253 HydrophobicContact SD-CG1 3.99Å; M210-I253 HydrophobicContact SD-CG2 4.03Å; L251-I253 CarbonylContact O-C 3.42Å; L251-I253 PolarHBondContact O-N 3.41Å
254	L	33	Very low	48.1	Very low	63 Å²	63	61.2 Å²	61.2	33%	0.33	32%	0.316	S	S	.	.			trans	-16.6	118.3	175.3	-63.8	162.8	0	0	0	116.9	P14 R256	P14-L254 HydrophobicContact CB-CD1 3.69Å; P14-L254 HydrophobicContact CB-CD2 3.67Å; P14-L254 HydrophobicContact CB-CG 4.33Å; P14-L254 HydrophobicContact CG-CD2 3.53Å; L254-R256 PolarHBondContact O-N 3.41Å; L254-R256 VanDerWaalsContact O-N 3.14Å
255	P	32.6	Very low	47.2	Very low	56 Å²	56	57.8 Å²	57.8	36%	0.364	30%	0.299	S	S	.	.	S	Bend	trans	-82.9	87.1	167.7	33.1	-28.4	0	0	0	108.9	D211	D211-P255 HydrophobicContact CB-CB 4.07Å; D211-P255 VanDerWaalsContact OD2-CB 3.28Å; D211-P255 WeakPolarHBondContact OD2-CB 3.42Å
256	R	30.1	Very low	46.2	Very low	232 Å²	232	62.8 Å²	62.8	88%	0.875	31%	0.312	S	S	*	.	S	Bend	trans	159.3	100.5	152.8	-92.9	170.7	-179.8	-178.6	0.6	108.2	L254	L254-R256 PolarHBondContact O-N 3.41Å; L254-R256 VanDerWaalsContact O-N 3.14Å
257	Q	27.7	Very low	45.7	Very low	163 Å²	163	64 Å²	64	76%	0.762	32%	0.318	S	S	*	.	S	Bend	trans	76.4	109.7	164.2	-48.5	-142.9	-37.9	0	0	116.3	N259	Q257-N259 PolarHBondContact O-N 2.86Å
258	S	36.7	Very low	44.5	Very low	55 Å²	55	61.5 Å²	61.5	39%	0.385	30%	0.301	S	S	.	.	S	Bend	trans	56.1	48.5	139.3	68.6	0	0	0	0	118.4	H261	S258-H261 PolarHBondContact O-CE1 2.72Å; S258-H261 PolarHBondContact O-ND1 3.41Å; S258-H261 PolarHBondContact O-NE2 2.92Å; S258-H261 VanDerWaalsContact O-NE2 3.08Å
259	N	36.6	Very low	43.3	Very low	28 Å²	28	59.5 Å²	59.5	15%	0.15	29%	0.29	C	S	.	.			trans	-143	28.6	171.2	-89.4	-23.9	0	0	0	116	R46 Q257 H261	R46-N259 PolarHBondContact NH1-OD1 2.87Å; Q257-N259 PolarHBondContact O-N 2.86Å; N259-H261 PolarHBondContact O-N 3.12Å; N259-H261 PolarHBondContact OD1-ND1 3.43Å
260	G	37	Very low	42	Very low	10 Å²	10	61.5 Å²	61.5	10%	0.103	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	19.4	157.7	0	0	0	0	0	114.1
261	H	47.4	Very low	41.2	Very low	10 Å²	10	63.1 Å²	63.1	5%	0.046	33%	0.327	C	S	.	.	H	α-helix	trans	-94.3	-34.2	-154.5	-71.1	-165.2	0	0	0	111.7	A42 R46 S258 N259 A265	A42-H261 WeakPolarHBondContact CA-NE2 3.48Å; A42-H261 VanDerWaalsContact CB-NE2 3.29Å; A42-H261 WeakPolarHBondContact CB-NE2 3.19Å; A42-H261 PolarHBondContact O-CD2 2.77Å; A42-H261 PolarHBondContact O-CE1 2.85Å; A42-H261 VanDerWaalsContact O-CE1 3.31Å; A42-H261 PolarHBondContact O-NE2 3.49Å; R46-H261 HydrophobicContact CB-CB 4.09Å; R46-H261 VanDerWaalsContact CB-ND1 3.28Å; R46-H261 WeakPolarHBondContact CB-ND1 3.47Å; R46-H261 WeakPolarHBondContact CD-ND1 3.21Å; R46-H261 HydrophobicContact CG-CB 3.8Å; R46-H261 WeakPolarHBondContact CG-ND1 3.39Å; S258-H261 PolarHBondContact O-CE1 2.72Å; S258-H261 PolarHBondContact O-ND1 3.41Å; S258-H261 PolarHBondContact O-NE2 2.92Å; S258-H261 VanDerWaalsContact O-NE2 3.08Å; N259-H261 PolarHBondContact O-N 3.12Å; N259-H261 PolarHBondContact OD1-ND1 3.43Å; H261-A265 WeakPolarHBondContact O-CB 3.42Å; H261-A265 PolarHBondContact O-N 3.1Å
262	T	37.3	Very low	40	Very low	35 Å²	35	72.3 Å²	72.3	22%	0.215	38%	0.377	C	S	.	.	H	α-helix	trans	-78.3	-37.7	-166.8	-26.7	0	0	0	0	112.4	A265 Y266	T262-A265 PolarHBondContact O-N 3.19Å; T262-Y266 HydrophobicContact CG2-CD2 4.13Å; T262-Y266 HydrophobicContact CG2-CE2 3.43Å; T262-Y266 VanDerWaalsContact CG2-CE2 3.43Å; T262-Y266 WeakPolarHBondContact O-CD2 3.12Å; T262-Y266 PolarHBondContact O-N 3.01Å
263	I	42.1	Very low	39.5	Very low	83 Å²	83	72.6 Å²	72.6	43%	0.426	38%	0.378	S	S	.	.	H	α-helix	trans	-68.3	-47	-175.2	-54.8	179.1	0	0	0	110.6	V205 M207 A265 Y266	V205-I263 HydrophobicContact CB-CG2 4.02Å; V205-I263 HydrophobicContact CG1-CG2 3.41Å; V205-I263 VanDerWaalsContact CG1-CG2 3.41Å; M207-I263 HydrophobicContact CE-CD1 4.47Å; I263-A265 VanDerWaalsContact C-N 3.28Å; I263-A265 PolarHBondContact O-N 3.11Å; I263-Y266 PolarHBondContact O-N 3.05Å
264	V	44.6	Very low	39.3	Very low	2 Å²	2	74.3 Å²	74.3	1%	0.012	39%	0.387	C	S	.	.	H	α-helix	trans	-64.3	-36.2	-180	-178.1	0	0	0	0	111.2	V43 L110 V160 Y266 D267 F268	V43-V264 HydrophobicContact CG1-CB 4.4Å; V43-V264 HydrophobicContact CG1-CG1 4.12Å; V43-V264 HydrophobicContact CG2-CB 4.41Å; V43-V264 HydrophobicContact CG2-CG2 4.02Å; L110-V264 HydrophobicContact CD1-CG1 3.92Å; L110-V264 HydrophobicContact CD1-CG2 3.97Å; L110-V264 HydrophobicContact CD2-CG1 4.31Å; L110-V264 HydrophobicContact CD2-CG2 4.33Å; V160-V264 HydrophobicContact CG2-CG1 4.47Å; V264-Y266 PolarHBondContact O-N 3.22Å; V264-D267 PolarHBondContact O-N 3.34Å; V264-F268 HydrophobicContact CG1-CD2 4.2Å; V264-F268 HydrophobicContact CG1-CE2 3.41Å; V264-F268 VanDerWaalsContact CG1-CE2 3.41Å; V264-F268 HydrophobicContact CG1-CZ 3.63Å; V264-F268 WeakPolarHBondContact O-CD2 3.49Å
265	A	43.1	Very low	39.6	Very low	5 Å²	5	74.9 Å²	74.9	4%	0.041	39%	0.391	C	S	.	.	H	α-helix	trans	-69.1	-33	-178.2	0	0	0	0	0	114	R24 F25 H261 T262 I263 D267 F268	R24-A265 VanDerWaalsContact NH1-CB 3.25Å; F25-A265 HydrophobicContact CZ-CB 4.16Å; H261-A265 WeakPolarHBondContact O-CB 3.42Å; H261-A265 PolarHBondContact O-N 3.1Å; T262-A265 PolarHBondContact O-N 3.19Å; I263-A265 VanDerWaalsContact C-N 3.28Å; I263-A265 PolarHBondContact O-N 3.11Å; A265-D267 VanDerWaalsContact C-N 3.34Å; A265-F268 PolarHBondContact O-N 3.04Å
266	Y	41.6	Very low	40	Very low	134 Å²	134	76 Å²	76	53%	0.525	39%	0.392	S	S	.	.	H	α-helix	trans	-67.7	-36.4	176.2	-76.9	-66.5	0	0	0	112.1	T262 I263 V264 F268 L269	T262-Y266 HydrophobicContact CG2-CD2 4.13Å; T262-Y266 HydrophobicContact CG2-CE2 3.43Å; T262-Y266 VanDerWaalsContact CG2-CE2 3.43Å; T262-Y266 WeakPolarHBondContact O-CD2 3.12Å; T262-Y266 PolarHBondContact O-N 3.01Å; I263-Y266 PolarHBondContact O-N 3.05Å; V264-Y266 PolarHBondContact O-N 3.22Å; Y266-F268 PolarHBondContact O-N 3.36Å; Y266-L269 HydrophobicContact CD1-CD1 4.03Å; Y266-L269 PolarHBondContact O-N 2.89Å
267	D	49.8	Very low	40.6	Very low	37 Å²	37	66.3 Å²	66.3	20%	0.198	36%	0.362	C	S	.	.	H	α-helix	trans	-68.9	-14.6	177.3	-87	-38.8	0	0	0	113.1	V160 R201 N203 V205 V264 A265	V160-D267 HydrophobicContact CG2-CB 3.44Å; V160-D267 VanDerWaalsContact CG2-CB 3.44Å; R201-D267 PolarHBondContact NH1-O 3.41Å; R201-D267 PolarHBondContact NH2-O 3.18Å; N203-D267 PolarHBondContact ND2-OD1 2.75Å; V205-D267 WeakPolarHBondContact CG1-OD2 3.31Å; V264-D267 PolarHBondContact O-N 3.34Å; A265-D267 VanDerWaalsContact C-N 3.34Å
268	F	48	Very low	41.5	Very low	3 Å²	3	59.8 Å²	59.8	1%	0.013	34%	0.335	C	S	.	.	H	α-helix	trans	-88.3	-13.3	175.6	-65.3	-37.9	0	0	0	114.4	F25 I30 Y108 A158 V160 R201 V264 A265 Y266	F25-F268 HydrophobicContact CE1-CB 3.75Å; F25-F268 AromaticContact CE1-CD2 3.89Å; F25-F268 HydrophobicContact CE1-CD2 3.89Å; F25-F268 HydrophobicContact CE1-CG 4.27Å; F25-F268 HydrophobicContact CZ-CB 4.27Å; F25-F268 AromaticContact CZ-CD2 3.85Å; F25-F268 HydrophobicContact CZ-CD2 3.85Å; I30-F268 HydrophobicContact CD1-CD2 4.24Å; I30-F268 HydrophobicContact CD1-CE2 4.04Å; I30-F268 HydrophobicContact CG2-CE2 4.25Å; I30-F268 HydrophobicContact CG2-CZ 4.23Å; Y108-F268 HydrophobicContact CD1-CB 3.98Å; Y108-F268 AromaticContact CD1-CD1 3.53Å; Y108-F268 HydrophobicContact CD1-CD1 3.53Å; Y108-F268 HydrophobicContact CD1-CE1 4.21Å; Y108-F268 AromaticContact CD1-CG 3.89Å; Y108-F268 HydrophobicContact CD1-CG 3.89Å; Y108-F268 HydrophobicContact CD2-CG 4.45Å; Y108-F268 HydrophobicContact CE1-CB 3.96Å; Y108-F268 HydrophobicContact CE1-CD1 4.31Å; Y108-F268 HydrophobicContact CE1-CG 4.38Å; Y108-F268 WeakPolarHBondContact CE1-O 3.4Å; Y108-F268 HydrophobicContact CG-CB 4.29Å; Y108-F268 AromaticContact CG-CD1 3.76Å; Y108-F268 HydrophobicContact CG-CD1 3.76Å; Y108-F268 HydrophobicContact CG-CD2 4.43Å; Y108-F268 HydrophobicContact CG-CE1 4.15Å; Y108-F268 AromaticContact CG-CG 3.93Å; Y108-F268 HydrophobicContact CG-CG 3.93Å; A158-F268 HydrophobicContact CB-CD1 4.03Å; V160-F268 HydrophobicContact CB-CE1 4.43Å; V160-F268 HydrophobicContact CG2-CD1 4.19Å; V160-F268 HydrophobicContact CG2-CE1 3.69Å; V160-F268 HydrophobicContact CG2-CZ 4.2Å; R201-F268 PolarHBondContact NH2-O 2.99Å; R201-F268 VanDerWaalsContact NH2-O 3.12Å; V264-F268 HydrophobicContact CG1-CD2 4.2Å; V264-F268 HydrophobicContact CG1-CE2 3.41Å; V264-F268 VanDerWaalsContact CG1-CE2 3.41Å; V264-F268 HydrophobicContact CG1-CZ 3.63Å; V264-F268 WeakPolarHBondContact O-CD2 3.49Å; A265-F268 PolarHBondContact O-N 3.04Å; Y266-F268 PolarHBondContact O-N 3.36Å
269	L	43.4	Very low	41.8	Very low	69 Å²	69	60.1 Å²	60.1	36%	0.361	33%	0.332	S	S	.	.	S	Bend	trans	-71.7	139.2	179.2	-62	174.3	0	0	0	111.3	R24 R201 Y266	R24-L269 HydrophobicContact CG-CD2 4.35Å; R201-L269 VanDerWaalsContact CZ-O 3.27Å; R201-L269 PolarHBondContact NH2-O 3.07Å; Y266-L269 HydrophobicContact CD1-CD1 4.03Å; Y266-L269 PolarHBondContact O-N 2.89Å
270	P	39.3	Very low	42.2	Very low	94 Å²	94	62.6 Å²	62.6	61%	0.61	35%	0.346	S	S	*	.			trans	-60	139.4	169.2	24.4	-30.2	0	0	0	109.7	N272	P270-N272 PolarHBondContact O-N 3.3Å
271	S	42.3	Very low	42.7	Very low	102 Å²	102	67 Å²	67	71%	0.713	37%	0.366	S	S	*	.			trans	-65.4	115.3	163.1	45.6	0	0	0	0	107.4
272	N	33	Very low	42.2	Very low	230 Å²	230	72.2 Å²	72.2	100%	1.23	40%	0.395	S	S	*	.			trans	-51.5	0	169.7	-73.5	-15.4	0	0	0	111.6	P270	P270-N272 PolarHBondContact O-N 3.3Å

Retrieved 272 of 272 residues in 169.3 ms (Link to these results)

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