A0A077ZK46_TRITR Loading...

UDP-N-acetylglucosamine 1-carboxyvinyltransferase

AlphaFold DB , UniProt , Accession A0A077ZK46, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 379 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	27.6	Very low	29.9	Very low	201 Å²	201	93.7 Å²	93.7	99%	0.99	47%	0.469	S	S	*	.				0	111.4	0	-140.9	-177.6	-87.2	0	0	105.3	K3	M1-K3 PolarHBondContact O-N 3.06Å
2	R	21.5	Very low	31.7	Very low	257 Å²	257	89.7 Å²	89.7	97%	0.97	45%	0.449	S	S	*	.			trans	-68.7	121.6	-174	-64.5	-178.9	-174.3	177.7	1.4	108.7
3	K	23.1	Very low	33	Very low	121 Å²	121	84.5 Å²	84.5	53%	0.526	42%	0.422	S	S	.	.			trans	-124.7	140	-179.3	-72.2	-176.9	176.9	-172.6	0	109.8	M1 L72	M1-K3 PolarHBondContact O-N 3.06Å; K3-L72 HydrophobicContact CB-CD2 4.02Å; K3-L72 HydrophobicContact CD-CD1 3.81Å; K3-L72 HydrophobicContact CD-CD2 4.25Å; K3-L72 HydrophobicContact CD-CG 4.46Å; K3-L72 HydrophobicContact CG-CD1 3.88Å; K3-L72 HydrophobicContact CG-CD2 4.19Å
4	I	26	Very low	34.3	Very low	87 Å²	87	78.6 Å²	78.6	45%	0.446	39%	0.393	S	S	.	.			trans	-121	126.3	177.8	-72.2	-180	0	0	0	106.1	I6 L72 I83	I4-I6 HydrophobicContact CG2-CG1 4.13Å; I4-L72 WeakPolarHBondContact O-CD2 3.43Å; I4-I83 HydrophobicContact CB-CD1 4.38Å; I4-I83 HydrophobicContact CD1-CD1 4.08Å; I4-I83 HydrophobicContact CD1-CG1 3.91Å; I4-I83 HydrophobicContact CG1-CD1 4.47Å; I4-I83 HydrophobicContact CG2-CB 4.37Å; I4-I83 HydrophobicContact CG2-CD1 3.14Å; I4-I83 HydrophobicContact CG2-CG1 3.68Å; I4-I83 HydrophobicContact CG2-CG2 3.91Å
5	V	26.6	Very low	36.5	Very low	74 Å²	74	75.7 Å²	75.7	45%	0.448	38%	0.379	S	S	.	.			trans	-104.2	111.3	178.3	-178.4	0	0	0	0	107.9
6	I	28.7	Very low	38.9	Very low	26 Å²	26	73.6 Å²	73.6	13%	0.133	37%	0.369	C	S	.	.			trans	-130.5	103.3	168.7	-66.3	-153.6	0	0	0	108.4	I4 P73 I83 H86 M104	I4-I6 HydrophobicContact CG2-CG1 4.13Å; I6-P73 HydrophobicContact CB-CG 4.32Å; I6-P73 WeakPolarHBondContact O-CB 3.24Å; I6-P73 WeakPolarHBondContact O-CG 3.44Å; I6-I83 HydrophobicContact CD1-CB 3.37Å; I6-I83 HydrophobicContact CD1-CD1 3.54Å; I6-I83 HydrophobicContact CD1-CG1 4.07Å; I6-I83 HydrophobicContact CD1-CG2 3.42Å; I6-I83 VanDerWaalsContact CD1-CG2 3.42Å; I6-I83 HydrophobicContact CG1-CB 4.29Å; I6-I83 HydrophobicContact CG1-CD1 3.95Å; I6-I83 HydrophobicContact CG1-CG2 3.94Å; I6-H86 HydrophobicContact CD1-CB 4.2Å; I6-M104 HydrophobicContact CG1-CE 4.27Å
7	N	37.1	Very low	41.3	Very low	52 Å²	52	69.5 Å²	69.5	28%	0.278	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-62	138.2	-175.7	-63.3	-33.9	0	0	0	112.2	L12	N7-L12 HydrophobicContact CB-CD1 4.17Å
8	G	30.2	Very low	43.6	Very low	30 Å²	30	68.9 Å²	68.9	31%	0.309	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-70.6	140.7	-166.8	0	0	0	0	0	114.8	L12 L35	G8-L12 WeakPolarHBondContact O-CD1 3.33Å; G8-L35 WeakPolarHBondContact O-CD2 3.42Å
9	G	30.1	Very low	46.1	Very low	40 Å²	40	68.7 Å²	68.7	41%	0.412	35%	0.348	S	S	.	.	S	Bend	trans	-78.5	120.4	166.7	0	0	0	0	0	110.8
10	K	37.7	Very low	48.6	Very low	134 Å²	134	67.7 Å²	67.7	58%	0.583	34%	0.342	S	S	*	.	S	Bend		-165.9	-37.7	128.7	-98.9	173.5	-174.8	-167.3	0	112.4	L35	K10-L35 HydrophobicContact CB-CD1 4.17Å
11	P	40.3	Very low	50.8	Low	9 Å²	9	64.5 Å²	64.5	6%	0.058	33%	0.326	C	S	.	.	S	Bend	trans	-98.5	-0.7	169.3	36.2	-31.7	0	0	0	114.3	K13 A14 L35 I39 I55	P11-K13 PolarHBondContact O-N 3.16Å; P11-K13 VanDerWaalsContact O-N 3.07Å; P11-A14 PolarHBondContact O-N 2.94Å; P11-L35 VanDerWaalsContact CD-CB 3.45Å; P11-L35 HydrophobicContact CG-CB 3.21Å; P11-L35 HydrophobicContact CG-CD1 4.13Å; P11-L35 HydrophobicContact CG-CG 4.12Å; P11-I39 HydrophobicContact CB-CD1 4.15Å; P11-I55 HydrophobicContact CB-CD1 4.24Å
12	L	51.6	Low	54.2	Low	45 Å²	45	56.7 Å²	56.7	24%	0.236	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.7	175.5	-121.4	137.8	0	0	0	113.8	N7 G8 I15	N7-L12 HydrophobicContact CB-CD1 4.17Å; G8-L12 WeakPolarHBondContact O-CD1 3.33Å; L12-I15 HydrophobicContact CB-CD1 4.48Å; L12-I15 HydrophobicContact CD2-CD1 3.72Å; L12-I15 HydrophobicContact CG-CD1 3.68Å; L12-I15 WeakPolarHBondContact O-CB 3.44Å; L12-I15 PolarHBondContact O-N 3.47Å
13	K	48.6	Very low	57.8	Low	22 Å²	22	45.2 Å²	45.2	10%	0.096	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-38.1	179.2	-47.2	174.3	-169	178.3	0	111.7	P11 I15 L16 L133 D155 V156 L159	P11-K13 PolarHBondContact O-N 3.16Å; P11-K13 VanDerWaalsContact O-N 3.07Å; K13-I15 PolarHBondContact O-N 2.92Å; K13-L16 PolarHBondContact O-N 3.06Å; K13-L133 HydrophobicContact CB-CD2 4.26Å; K13-L133 HydrophobicContact CG-CD2 4.09Å; K13-D155 IonicContact NZ-OD2 3.06Å; K13-V156 HydrophobicContact CD-CG1 3.99Å; K13-V156 HydrophobicContact CD-CG2 4.4Å; K13-V156 VanDerWaalsContact CE-CG2 3.42Å; K13-L159 HydrophobicContact CB-CD2 4.02Å; K13-L159 HydrophobicContact CD-CD2 3.55Å; K13-L159 HydrophobicContact CG-CD2 4.47Å
14	A	50.9	Low	61.3	Low	2 Å²	2	40.3 Å²	40.3	2%	0.017	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-65	-24.2	179.8	0	0	0	0	0	112.2	P11 L16 A17 V21 I55 P57	P11-A14 PolarHBondContact O-N 2.94Å; A14-L16 PolarHBondContact O-N 3.3Å; A14-L16 VanDerWaalsContact O-N 3.16Å; A14-A17 WeakPolarHBondContact O-CB 3.49Å; A14-A17 PolarHBondContact O-N 3.13Å; A14-V21 HydrophobicContact CB-CB 4.02Å; A14-V21 HydrophobicContact CB-CG1 4.43Å; A14-V21 HydrophobicContact CB-CG2 4.29Å; A14-I55 HydrophobicContact CB-CB 3.92Å; A14-I55 HydrophobicContact CB-CD1 3.8Å; A14-I55 HydrophobicContact CB-CG1 4.47Å; A14-I55 HydrophobicContact CB-CG2 3.66Å; A14-P57 WeakPolarHBondContact O-CB 3.42Å; A14-P57 WeakPolarHBondContact O-CG 3.34Å
15	I	67.1	Low	64.5	Low	36 Å²	36	37.2 Å²	37.2	19%	0.185	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-62	-23.7	178	-55.1	-171	0	0	0	112.5	L12 K13 A17 I39 M42 I60	L12-I15 HydrophobicContact CB-CD1 4.48Å; L12-I15 HydrophobicContact CD2-CD1 3.72Å; L12-I15 HydrophobicContact CG-CD1 3.68Å; L12-I15 WeakPolarHBondContact O-CB 3.44Å; L12-I15 PolarHBondContact O-N 3.47Å; K13-I15 PolarHBondContact O-N 2.92Å; I15-A17 VanDerWaalsContact C-N 3.33Å; I15-I39 HydrophobicContact CD1-CB 4.44Å; I15-I39 HydrophobicContact CD1-CG2 3.77Å; I15-I39 HydrophobicContact CG1-CG2 4.31Å; I15-M42 HydrophobicContact CD1-CE 3.73Å; I15-M42 HydrophobicContact CD1-SD 3.94Å; I15-I60 HydrophobicContact CB-CD1 3.75Å; I15-I60 HydrophobicContact CD1-CD1 4.03Å; I15-I60 HydrophobicContact CG1-CD1 3.52Å; I15-I60 HydrophobicContact CG2-CD1 3.48Å; I15-I60 VanDerWaalsContact CG2-CD1 3.48Å; I15-I60 HydrophobicContact CG2-CG2 4.09Å
16	L	75.6	Confident	67.8	Low	42 Å²	42	34.2 Å²	34.2	22%	0.22	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-80.1	-17.3	178.1	-61.5	174.5	0	0	0	113	K13 A14 L133 L160 L183	K13-L16 PolarHBondContact O-N 3.06Å; A14-L16 PolarHBondContact O-N 3.3Å; A14-L16 VanDerWaalsContact O-N 3.16Å; L16-L133 HydrophobicContact CD1-CB 4.2Å; L16-L133 HydrophobicContact CD1-CD2 3.65Å; L16-L160 HydrophobicContact CD1-CD2 4.14Å; L16-L183 HydrophobicContact CB-CD1 3.86Å
17	A	78.8	Confident	70.8	Confident	4 Å²	4	35.2 Å²	35.2	3%	0.033	21%	0.205	C	C	.	.			trans	-76	146.3	-179.5	0	0	0	0	0	110.4	A14 I15 D19 V21 P57 M163 L183	A14-A17 WeakPolarHBondContact O-CB 3.49Å; A14-A17 PolarHBondContact O-N 3.13Å; I15-A17 VanDerWaalsContact C-N 3.33Å; A17-D19 VanDerWaalsContact CB-O 3.31Å; A17-D19 WeakPolarHBondContact CB-O 3.47Å; A17-V21 HydrophobicContact CB-CG2 3.52Å; A17-P57 HydrophobicContact CB-CG 4.09Å; A17-P57 WeakPolarHBondContact O-CG 3.35Å; A17-M163 HydrophobicContact CB-CE 3.49Å; A17-M163 VanDerWaalsContact CB-CE 3.49Å; A17-L183 WeakPolarHBondContact CA-O 3.33Å
18	D	83.6	Confident	73.3	Confident	59 Å²	59	35.1 Å²	35.1	32%	0.316	21%	0.212	S	C	.	.	S	Bend	trans	-97.7	5	175.1	-61.9	-63.1	0	0	0	111.2	R58 K137 Y182 L183	D18-R58 WeakPolarHBondContact O-CD 3.1Å; D18-R58 WeakPolarHBondContact O-CG 3.45Å; D18-K137 IonicContact OD1-NZ 2.66Å; D18-K137 IonicContact OD2-NZ 2.72Å; D18-K137 PolarHBondContact OD2-NZ 2.58Å; D18-Y182 HydrophobicContact CB-CD2 3.64Å; D18-Y182 HydrophobicContact CB-CE2 3.01Å; D18-Y182 VanDerWaalsContact CB-CZ 3.5Å; D18-Y182 VanDerWaalsContact CG-CD2 3.47Å; D18-Y182 VanDerWaalsContact CG-CE2 3.45Å; D18-Y182 WeakPolarHBondContact OD2-CD2 3.29Å; D18-Y182 WeakPolarHBondContact OD2-CE2 3.31Å; D18-L183 PolarHBondContact N-O 3.18Å; D18-L183 PolarHBondContact OD2-N 3.46Å; D18-L183 VanDerWaalsContact OD2-N 3.13Å
19	D	91	Very high	76.1	Confident	65 Å²	65	34.8 Å²	34.8	35%	0.348	20%	0.203	S	C	.	.	S	Bend	trans	-148	178.7	172.4	-158.8	9.4	0	0	0	111.2	A17 P57 R58	A17-D19 VanDerWaalsContact CB-O 3.31Å; A17-D19 WeakPolarHBondContact CB-O 3.47Å; D19-P57 WeakPolarHBondContact O-CD 3.3Å; D19-R58 IonicContact OD1-CZ 2.9Å; D19-R58 IonicContact OD1-NH1 3.56Å; D19-R58 PolarHBondContact OD1-NH1 2.89Å; D19-R58 IonicContact OD1-NH2 3.66Å
20	I	95.3	Very high	78.7	Confident	48 Å²	48	34.9 Å²	34.9	25%	0.246	20%	0.197	C	C	.	.			trans	-61.9	132.5	-174	-62.2	173.8	0	0	0	112.1	I22 E54 I55 D56 G185 T186	I20-I22 HydrophobicContact CG2-CG1 4.19Å; I20-E54 HydrophobicContact CG2-CG 3.48Å; I20-E54 VanDerWaalsContact CG2-CG 3.48Å; I20-I55 WeakPolarHBondContact CA-O 3.5Å; I20-D56 HydrophobicContact CG1-CB 4.08Å; I20-G185 CarbonylContact O-C 3.57Å; I20-G185 WeakPolarHBondContact O-CA 3.45Å; I20-T186 PolarHBondContact O-N 2.72Å
21	V	96.3	Very high	80.7	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.2	170.4	178.1	0	0	0	0	109.5	A14 A17 L23 I55 L159 M163 T186	A14-V21 HydrophobicContact CB-CB 4.02Å; A14-V21 HydrophobicContact CB-CG1 4.43Å; A14-V21 HydrophobicContact CB-CG2 4.29Å; A17-V21 HydrophobicContact CB-CG2 3.52Å; V21-L23 HydrophobicContact CG1-CD2 3.98Å; V21-L23 HydrophobicContact CG1-CG 4.38Å; V21-I55 PolarHBondContact N-O 2.99Å; V21-I55 PolarHBondContact O-N 3.01Å; V21-L159 HydrophobicContact CG1-CD1 4.23Å; V21-M163 HydrophobicContact CG2-CE 4.43Å; V21-M163 HydrophobicContact CG2-SD 4.33Å; V21-T186 CarbonylContact C-O 3.57Å; V21-T186 WeakPolarHBondContact CA-O 3.11Å
22	I	97.3	Very high	83	Confident	36 Å²	36	31.7 Å²	31.7	19%	0.185	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.4	176.1	-58	172	0	0	0	108.5	I20 T52 L53 E54 T186 R187 H188	I20-I22 HydrophobicContact CG2-CG1 4.19Å; I22-T52 HydrophobicContact CG2-CG2 3.66Å; I22-L53 CarbonylContact C-O 3.59Å; I22-L53 WeakPolarHBondContact CA-O 3.44Å; I22-E54 HydrophobicContact CG1-CB 4.35Å; I22-E54 HydrophobicContact CG1-CG 4.11Å; I22-T186 PolarHBondContact N-O 3.31Å; I22-R187 HydrophobicContact CB-CB 4.14Å; I22-R187 HydrophobicContact CB-CG 3.92Å; I22-R187 HydrophobicContact CG2-CG 3.93Å; I22-R187 CarbonylContact O-C 3.53Å; I22-R187 VanDerWaalsContact O-CA 3.28Å; I22-R187 WeakPolarHBondContact O-CA 3.49Å; I22-H188 PolarHBondContact O-N 3.45Å
23	L	96.9	Very high	84.7	Confident	16 Å²	16	33.3 Å²	33.3	8%	0.084	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.5	175.1	-57.3	179.3	0	0	0	109.3	V21 V26 T52 L53 I55 L159 H188 V190	V21-L23 HydrophobicContact CG1-CD2 3.98Å; V21-L23 HydrophobicContact CG1-CG 4.38Å; L23-V26 HydrophobicContact CB-CG2 3.7Å; L23-T52 CarbonylContact O-C 3.6Å; L23-T52 WeakPolarHBondContact O-CA 3.37Å; L23-L53 HydrophobicContact CB-CB 4.46Å; L23-L53 PolarHBondContact N-O 3.41Å; L23-L53 PolarHBondContact O-N 3.08Å; L23-I55 HydrophobicContact CD1-CD1 4.23Å; L23-L159 HydrophobicContact CD2-CD1 4.4Å; L23-L159 HydrophobicContact CD2-CD2 4.14Å; L23-H188 CarbonylContact C-O 3.59Å; L23-H188 WeakPolarHBondContact CA-O 3.48Å; L23-H188 HydrophobicContact CD2-CB 4.15Å; L23-V190 HydrophobicContact CB-CG2 4.49Å
24	D	97	Very high	86.3	Confident	18 Å²	18	35 Å²	35	10%	0.096	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	155.5	174.6	-59.5	-57.4	0	0	0	110.7	V26 T52 R187 H188 Q189 V190	D24-V26 VanDerWaalsContact C-N 3.35Å; D24-T52 PolarHBondContact OD1-OG1 2.87Å; D24-R187 IonicContact OD1-CZ 3.51Å; D24-R187 IonicContact OD1-NE 3.47Å; D24-R187 PolarHBondContact OD1-NE 3.1Å; D24-R187 IonicContact OD1-NH2 3.5Å; D24-R187 PolarHBondContact OD1-NH2 3.39Å; D24-R187 VanDerWaalsContact OD2-CG 3.3Å; D24-R187 WeakPolarHBondContact OD2-CG 3.41Å; D24-R187 IonicContact OD2-CZ 2.74Å; D24-R187 IonicContact OD2-NE 2.65Å; D24-R187 PolarHBondContact OD2-NE 2.85Å; D24-R187 IonicContact OD2-NH2 3.46Å; D24-R187 PolarHBondContact OD2-NH2 3.07Å; D24-H188 PolarHBondContact N-O 3.08Å; D24-Q189 PolarHBondContact O-NE2 3.35Å; D24-V190 WeakPolarHBondContact O-CB 3.5Å; D24-V190 WeakPolarHBondContact O-CG2 3.46Å; D24-V190 PolarHBondContact O-N 3.32Å
25	G	94.5	Very high	87.9	Confident	23 Å²	23	35.9 Å²	35.9	24%	0.237	22%	0.215	C	C	.	.	S	Bend	trans	69.9	27.4	-177.6	0	0	0	0	0	114.7	D51 Q189	G25-D51 WeakPolarHBondContact CA-OD2 3.41Å; G25-D51 PolarHBondContact N-O 2.73Å; G25-D51 PolarHBondContact N-OD2 3.02Å; G25-Q189 VanDerWaalsContact CA-NE2 3.3Å
26	V	94.6	Very high	88.9	Confident	11 Å²	11	35.2 Å²	35.2	7%	0.067	21%	0.211	C	C	.	.			trans	-75.8	121.7	178.6	-177	0	0	0	0	110.2	L23 D24 V32 D51 L53 V190	L23-V26 HydrophobicContact CB-CG2 3.7Å; D24-V26 VanDerWaalsContact C-N 3.35Å; V26-V32 HydrophobicContact CG1-CG1 3.72Å; V26-V32 HydrophobicContact CG1-CG2 4.21Å; V26-D51 WeakPolarHBondContact CB-O 3.43Å; V26-D51 PolarHBondContact N-O 2.86Å; V26-L53 HydrophobicContact CB-CD1 4.31Å; V26-L53 HydrophobicContact CB-CG 4.22Å; V26-L53 HydrophobicContact CG1-CD1 3.67Å; V26-L53 HydrophobicContact CG1-CG 4.05Å; V26-L53 HydrophobicContact CG2-CB 4.2Å; V26-L53 HydrophobicContact CG2-CD1 4.09Å; V26-L53 HydrophobicContact CG2-CG 3.99Å; V26-V190 HydrophobicContact CG2-CG2 4.35Å
27	P	91.5	Very high	89.4	Confident	47 Å²	47	37.7 Å²	37.7	31%	0.305	22%	0.222	S	C	.	.			trans	-69.2	147.1	-177.6	27.7	-34.6	0	0	0	112.7	I29 V32 R48	P27-I29 HydrophobicContact CB-CD1 4.32Å; P27-I29 HydrophobicContact CB-CG1 4.27Å; P27-I29 HydrophobicContact CB-CG2 4.26Å; P27-I29 HydrophobicContact CG-CD1 3.79Å; P27-I29 HydrophobicContact CG-CG1 4.04Å; P27-I29 PolarHBondContact O-N 2.79Å; P27-I29 VanDerWaalsContact O-N 3.15Å; P27-V32 HydrophobicContact CG-CG2 4.32Å; P27-R48 PolarHBondContact O-NH2 2.68Å
28	A	91.2	Very high	89.5	Confident	50 Å²	50	37.9 Å²	37.9	41%	0.413	22%	0.222	S	C	.	.			trans	-81.8	84.8	169.1	0	0	0	0	0	110	R48 S361	A28-R48 VanDerWaalsContact CA-NH2 3.34Å; A28-S361 PolarHBondContact N-OG 2.9Å; A28-S361 WeakPolarHBondContact O-CA 3.46Å; A28-S361 WeakPolarHBondContact O-CB 3.17Å; A28-S361 PolarHBondContact O-OG 3.15Å; A28-S361 VanDerWaalsContact O-OG 3.12Å
29	I	88.7	Confident	89.6	Confident	22 Å²	22	35.2 Å²	35.2	11%	0.113	21%	0.207	C	C	.	.			trans	-137	149.1	179.5	59.4	178.7	0	0	0	110.4	P27 D31 V32 D33	P27-I29 HydrophobicContact CB-CD1 4.32Å; P27-I29 HydrophobicContact CB-CG1 4.27Å; P27-I29 HydrophobicContact CB-CG2 4.26Å; P27-I29 HydrophobicContact CG-CD1 3.79Å; P27-I29 HydrophobicContact CG-CG1 4.04Å; P27-I29 PolarHBondContact O-N 2.79Å; P27-I29 VanDerWaalsContact O-N 3.15Å; I29-D31 VanDerWaalsContact C-N 3.29Å; I29-D31 PolarHBondContact O-N 3.35Å; I29-V32 HydrophobicContact CD1-CG2 4.02Å; I29-V32 HydrophobicContact CG1-CB 4.09Å; I29-V32 HydrophobicContact CG1-CG2 3.62Å; I29-V32 WeakPolarHBondContact O-CB 3.49Å; I29-V32 PolarHBondContact O-N 2.84Å; I29-D33 PolarHBondContact O-N 3.49Å
30	S	83.5	Confident	89.5	Confident	43 Å²	43	36.4 Å²	36.4	30%	0.301	21%	0.211	S	C	.	.	H	α-helix	trans	-66.7	-25.7	-172.4	58.6	0	0	0	0	114.7	V32 D33 S34 L357 R358	S30-V32 VanDerWaalsContact C-N 3.29Å; S30-V32 PolarHBondContact O-N 3.17Å; S30-D33 PolarHBondContact O-N 2.84Å; S30-S34 WeakPolarHBondContact O-CB 3.47Å; S30-S34 PolarHBondContact O-N 3.15Å; S30-S34 PolarHBondContact O-OG 2.92Å; S30-L357 PolarHBondContact N-O 3.23Å; S30-R358 WeakPolarHBondContact OG-CA 3.21Å; S30-R358 VanDerWaalsContact OG-CG 3.24Å; S30-R358 WeakPolarHBondContact OG-CG 3.48Å
31	D	81.1	Confident	89	Confident	57 Å²	57	36.3 Å²	36.3	31%	0.305	21%	0.211	S	C	.	.	H	α-helix	trans	-65.3	-33.7	173.1	-83.6	18.6	0	0	0	110.8	I29 L35 R358	I29-D31 VanDerWaalsContact C-N 3.29Å; I29-D31 PolarHBondContact O-N 3.35Å; D31-L35 WeakPolarHBondContact O-CD1 3.36Å; D31-L35 WeakPolarHBondContact O-CG 3.35Å; D31-L35 PolarHBondContact O-N 2.88Å; D31-R358 WeakPolarHBondContact OD1-CG 3.19Å; D31-R358 IonicContact OD1-CZ 3.27Å; D31-R358 IonicContact OD1-NE 2.88Å; D31-R358 PolarHBondContact OD1-NE 3.3Å; D31-R358 IonicContact OD1-NH2 3.86Å; D31-R358 PolarHBondContact OD1-NH2 3.34Å; D31-R358 IonicContact OD2-CZ 3.59Å; D31-R358 IonicContact OD2-NE 3.58Å; D31-R358 IonicContact OD2-NH2 3.03Å; D31-R358 PolarHBondContact OD2-NH2 2.97Å
32	V	87.6	Confident	88.4	Confident	18 Å²	18	37.8 Å²	37.8	11%	0.109	22%	0.218	C	C	.	.	H	α-helix	trans	-68.8	-46.3	174	168.6	0	0	0	0	110.2	V26 P27 I29 S30 S34 L35 I36 L53	V26-V32 HydrophobicContact CG1-CG1 3.72Å; V26-V32 HydrophobicContact CG1-CG2 4.21Å; P27-V32 HydrophobicContact CG-CG2 4.32Å; I29-V32 HydrophobicContact CD1-CG2 4.02Å; I29-V32 HydrophobicContact CG1-CB 4.09Å; I29-V32 HydrophobicContact CG1-CG2 3.62Å; I29-V32 WeakPolarHBondContact O-CB 3.49Å; I29-V32 PolarHBondContact O-N 2.84Å; S30-V32 VanDerWaalsContact C-N 3.29Å; S30-V32 PolarHBondContact O-N 3.17Å; V32-S34 VanDerWaalsContact C-N 3.32Å; V32-S34 PolarHBondContact O-N 3.31Å; V32-L35 PolarHBondContact O-N 3.23Å; V32-I36 HydrophobicContact CG1-CD1 3.98Å; V32-I36 HydrophobicContact CG1-CG1 4.4Å; V32-I36 WeakPolarHBondContact O-CG1 3.46Å; V32-I36 PolarHBondContact O-N 3.17Å; V32-L53 HydrophobicContact CG1-CD1 4.14Å
33	D	88	Confident	88	Confident	79 Å²	79	37.4 Å²	37.4	42%	0.422	22%	0.223	S	C	.	.	H	α-helix	trans	-60.7	-43.1	-179.2	-57.3	-32.5	0	0	0	111.5	I29 S30 L35 I36 E37 R48	I29-D33 PolarHBondContact O-N 3.49Å; S30-D33 PolarHBondContact O-N 2.84Å; D33-L35 VanDerWaalsContact C-N 3.27Å; D33-L35 PolarHBondContact O-N 3.28Å; D33-I36 WeakPolarHBondContact O-CB 3.38Å; D33-I36 PolarHBondContact O-N 3.44Å; D33-E37 PolarHBondContact O-N 3.35Å; D33-R48 IonicContact OD1-NH1 3.9Å; D33-R48 PolarHBondContact OD1-NH1 3.12Å
34	S	82.3	Confident	87.8	Confident	58 Å²	58	37 Å²	37	41%	0.406	22%	0.222	S	C	.	.	H	α-helix	trans	-60.6	-38.2	175.2	-56.9	0	0	0	0	111.9	S30 V32 I38	S30-S34 WeakPolarHBondContact O-CB 3.47Å; S30-S34 PolarHBondContact O-N 3.15Å; S30-S34 PolarHBondContact O-OG 2.92Å; V32-S34 VanDerWaalsContact C-N 3.32Å; V32-S34 PolarHBondContact O-N 3.31Å; S34-I38 WeakPolarHBondContact O-CD1 3.46Å; S34-I38 VanDerWaalsContact O-CG1 3.25Å; S34-I38 WeakPolarHBondContact O-CG1 3.32Å; S34-I38 PolarHBondContact O-N 3Å; S34-I38 VanDerWaalsContact O-N 3.14Å
35	L	83.5	Confident	87.7	Confident	21 Å²	21	43.5 Å²	43.5	11%	0.11	25%	0.249	C	C	.	.	H	α-helix	trans	-75.6	-31.8	-180	-66.6	161.1	0	0	0	112.3	G8 K10 P11 D31 V32 D33 I38 I39	G8-L35 WeakPolarHBondContact O-CD2 3.42Å; K10-L35 HydrophobicContact CB-CD1 4.17Å; P11-L35 VanDerWaalsContact CD-CB 3.45Å; P11-L35 HydrophobicContact CG-CB 3.21Å; P11-L35 HydrophobicContact CG-CD1 4.13Å; P11-L35 HydrophobicContact CG-CG 4.12Å; D31-L35 WeakPolarHBondContact O-CD1 3.36Å; D31-L35 WeakPolarHBondContact O-CG 3.35Å; D31-L35 PolarHBondContact O-N 2.88Å; V32-L35 PolarHBondContact O-N 3.23Å; D33-L35 VanDerWaalsContact C-N 3.27Å; D33-L35 PolarHBondContact O-N 3.28Å; L35-I38 HydrophobicContact CD2-CD1 4.27Å; L35-I38 PolarHBondContact O-N 2.85Å; L35-I39 WeakPolarHBondContact O-CG1 3.33Å; L35-I39 WeakPolarHBondContact O-CG2 3.11Å; L35-I39 PolarHBondContact O-N 2.8Å; L35-I39 VanDerWaalsContact O-N 3.1Å
36	I	88.1	Confident	87.8	Confident	21 Å²	21	43.5 Å²	43.5	11%	0.108	24%	0.244	C	C	.	.	H	α-helix	trans	-59.1	-50.8	169.9	-68.4	169.1	0	0	0	109.4	V32 D33 I38 I39 E40 V46 L53	V32-I36 HydrophobicContact CG1-CD1 3.98Å; V32-I36 HydrophobicContact CG1-CG1 4.4Å; V32-I36 WeakPolarHBondContact O-CG1 3.46Å; V32-I36 PolarHBondContact O-N 3.17Å; D33-I36 WeakPolarHBondContact O-CB 3.38Å; D33-I36 PolarHBondContact O-N 3.44Å; I36-I38 VanDerWaalsContact C-N 3.26Å; I36-I38 PolarHBondContact O-N 2.83Å; I36-I39 WeakPolarHBondContact O-CG1 3.32Å; I36-I39 PolarHBondContact O-N 2.79Å; I36-I39 VanDerWaalsContact O-N 3.15Å; I36-E40 HydrophobicContact CG2-CG 4.27Å; I36-E40 WeakPolarHBondContact O-CG 3.43Å; I36-E40 PolarHBondContact O-N 2.73Å; I36-V46 HydrophobicContact CG1-CG1 4.27Å; I36-V46 HydrophobicContact CG2-CB 3.97Å; I36-V46 HydrophobicContact CG2-CG1 3.91Å; I36-V46 HydrophobicContact CG2-CG2 4.21Å; I36-L53 HydrophobicContact CD1-CD1 3.99Å; I36-L53 HydrophobicContact CD1-CD2 3.68Å; I36-L53 HydrophobicContact CG1-CD1 4.21Å; I36-L53 HydrophobicContact CG1-CD2 4.46Å
37	E	86.7	Confident	87.9	Confident	95 Å²	95	47.8 Å²	47.8	44%	0.444	26%	0.262	S	S	.	.	H	α-helix	trans	-56.8	-41.8	179	-173.7	177.8	-169.1	0	0	111.6	D33 E40 I41 T69	D33-E37 PolarHBondContact O-N 3.35Å; E37-E40 PolarHBondContact O-N 2.85Å; E37-I41 HydrophobicContact CG-CD1 3.99Å; E37-I41 WeakPolarHBondContact O-CB 3.29Å; E37-I41 WeakPolarHBondContact O-CD1 3.25Å; E37-I41 WeakPolarHBondContact O-CG1 3.23Å; E37-I41 PolarHBondContact O-N 3.08Å; E37-T69 VanDerWaalsContact CD-CG2 3.44Å; E37-T69 HydrophobicContact CG-CG2 4.07Å; E37-T69 WeakPolarHBondContact OE1-CG2 3.34Å
38	I	81.5	Confident	88	Confident	8 Å²	8	49.4 Å²	49.4	4%	0.041	26%	0.262	C	S	.	.	H	α-helix	trans	-60.5	-49.5	177	-72.3	164.5	0	0	0	112	S34 L35 I36 E40 I41 M42 M65 V70	S34-I38 WeakPolarHBondContact O-CD1 3.46Å; S34-I38 VanDerWaalsContact O-CG1 3.25Å; S34-I38 WeakPolarHBondContact O-CG1 3.32Å; S34-I38 PolarHBondContact O-N 3Å; S34-I38 VanDerWaalsContact O-N 3.14Å; L35-I38 HydrophobicContact CD2-CD1 4.27Å; L35-I38 PolarHBondContact O-N 2.85Å; I36-I38 VanDerWaalsContact C-N 3.26Å; I36-I38 PolarHBondContact O-N 2.83Å; I38-E40 VanDerWaalsContact C-N 3.34Å; I38-I41 PolarHBondContact O-N 2.88Å; I38-M42 HydrophobicContact CG2-SD 4.24Å; I38-M42 WeakPolarHBondContact O-CG 3.42Å; I38-M42 PolarHBondContact O-N 3.1Å; I38-M65 HydrophobicContact CB-CE 4.1Å; I38-M65 HydrophobicContact CG1-CE 3.86Å; I38-M65 HydrophobicContact CG2-CE 3.64Å; I38-M65 HydrophobicContact CG2-SD 4.34Å; I38-V70 HydrophobicContact CD1-CB 4.37Å; I38-V70 HydrophobicContact CD1-CG1 3.64Å; I38-V70 HydrophobicContact CD1-CG2 3.93Å; I38-V70 HydrophobicContact CG1-CG1 4.42Å; I38-V70 HydrophobicContact CG1-CG2 3.77Å
39	I	84.1	Confident	88.2	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-72.2	-31	-176.3	65.1	176.5	0	0	0	111.9	P11 I15 L35 I36 M42 G43 A44 V46 I55	P11-I39 HydrophobicContact CB-CD1 4.15Å; I15-I39 HydrophobicContact CD1-CB 4.44Å; I15-I39 HydrophobicContact CD1-CG2 3.77Å; I15-I39 HydrophobicContact CG1-CG2 4.31Å; L35-I39 WeakPolarHBondContact O-CG1 3.33Å; L35-I39 WeakPolarHBondContact O-CG2 3.11Å; L35-I39 PolarHBondContact O-N 2.8Å; L35-I39 VanDerWaalsContact O-N 3.1Å; I36-I39 WeakPolarHBondContact O-CG1 3.32Å; I36-I39 PolarHBondContact O-N 2.79Å; I36-I39 VanDerWaalsContact O-N 3.15Å; I39-M42 WeakPolarHBondContact O-CB 3.48Å; I39-M42 PolarHBondContact O-N 3.5Å; I39-G43 PolarHBondContact O-N 2.92Å; I39-A44 HydrophobicContact CB-CB 4.2Å; I39-A44 HydrophobicContact CG1-CB 4.38Å; I39-A44 WeakPolarHBondContact O-CB 3.25Å; I39-A44 PolarHBondContact O-N 2.85Å; I39-V46 HydrophobicContact CD1-CG2 3.5Å; I39-V46 HydrophobicContact CG1-CG2 3.71Å; I39-I55 HydrophobicContact CD1-CD1 4.09Å; I39-I55 HydrophobicContact CD1-CG1 4.35Å; I39-I55 HydrophobicContact CD1-CG2 4.02Å
40	E	89.6	Confident	88.4	Confident	90 Å²	90	60 Å²	60	42%	0.421	30%	0.302	S	S	.	.	H	α-helix	trans	-66.5	-42.6	171.7	-71.5	-173.9	137.4	0	0	111.9	I36 E37 I38 M42 G43 A44 V46	I36-E40 HydrophobicContact CG2-CG 4.27Å; I36-E40 WeakPolarHBondContact O-CG 3.43Å; I36-E40 PolarHBondContact O-N 2.73Å; E37-E40 PolarHBondContact O-N 2.85Å; I38-E40 VanDerWaalsContact C-N 3.34Å; E40-M42 PolarHBondContact O-N 2.93Å; E40-G43 WeakPolarHBondContact O-CA 3.34Å; E40-G43 PolarHBondContact O-N 2.91Å; E40-A44 WeakPolarHBondContact CA-O 3.36Å; E40-V46 HydrophobicContact CG-CB 4.12Å; E40-V46 HydrophobicContact CG-CG2 3.76Å
41	I	85	Confident	88.9	Confident	47 Å²	47	61.4 Å²	61.4	24%	0.241	31%	0.307	C	S	.	.	H	α-helix	trans	-57.3	-40.4	172.3	-75.1	166.9	0	0	0	110.7	E37 I38 G43 Q63 M65 P66 T69	E37-I41 HydrophobicContact CG-CD1 3.99Å; E37-I41 WeakPolarHBondContact O-CB 3.29Å; E37-I41 WeakPolarHBondContact O-CD1 3.25Å; E37-I41 WeakPolarHBondContact O-CG1 3.23Å; E37-I41 PolarHBondContact O-N 3.08Å; I38-I41 PolarHBondContact O-N 2.88Å; I41-G43 PolarHBondContact O-N 2.79Å; I41-Q63 PolarHBondContact O-NE2 2.74Å; I41-M65 HydrophobicContact CG2-SD 3.9Å; I41-P66 HydrophobicContact CG2-CG 3.82Å; I41-T69 HydrophobicContact CD1-CG2 3.66Å
42	M	83.3	Confident	89.6	Confident	32 Å²	32	60 Å²	60	16%	0.158	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.8	176.3	-68.8	176.3	63.2	0	0	113.6	I15 I38 I39 E40 I60 K61 M65	I15-M42 HydrophobicContact CD1-CE 3.73Å; I15-M42 HydrophobicContact CD1-SD 3.94Å; I38-M42 HydrophobicContact CG2-SD 4.24Å; I38-M42 WeakPolarHBondContact O-CG 3.42Å; I38-M42 PolarHBondContact O-N 3.1Å; I39-M42 WeakPolarHBondContact O-CB 3.48Å; I39-M42 PolarHBondContact O-N 3.5Å; E40-M42 PolarHBondContact O-N 2.93Å; M42-I60 HydrophobicContact CB-CG2 4.28Å; M42-I60 HydrophobicContact CE-CG2 4.16Å; M42-I60 VanDerWaalsContact O-CA 3.29Å; M42-I60 WeakPolarHBondContact O-CA 3.38Å; M42-K61 PolarHBondContact O-N 3.37Å; M42-M65 HydrophobicContact CG-SD 3.8Å; M42-M65 HydrophobicContact SD-SD 4.49Å
43	G	90	Very high	90.1	Very high	28 Å²	28	59.2 Å²	59.2	29%	0.289	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	109.9	3.4	175.9	0	0	0	0	0	114.9	I39 E40 I41 G59	I39-G43 PolarHBondContact O-N 2.92Å; E40-G43 WeakPolarHBondContact O-CA 3.34Å; E40-G43 PolarHBondContact O-N 2.91Å; I41-G43 PolarHBondContact O-N 2.79Å; G43-G59 CarbonylContact O-C 3.22Å; G43-G59 VanDerWaalsContact O-C 3.22Å; G43-G59 WeakPolarHBondContact O-CA 3.33Å
44	A	91.9	Very high	90.5	Very high	7 Å²	7	58.7 Å²	58.7	6%	0.058	29%	0.291	C	S	.	.			trans	-66.6	156.1	170.5	0	0	0	0	0	110.3	I39 E40 I55 D56 I60	I39-A44 HydrophobicContact CB-CB 4.2Å; I39-A44 HydrophobicContact CG1-CB 4.38Å; I39-A44 WeakPolarHBondContact O-CB 3.25Å; I39-A44 PolarHBondContact O-N 2.85Å; E40-A44 WeakPolarHBondContact CA-O 3.36Å; A44-I55 HydrophobicContact CB-CG2 4.5Å; A44-D56 CarbonylContact C-O 3.17Å; A44-D56 VanDerWaalsContact CA-O 3.32Å; A44-D56 WeakPolarHBondContact CA-O 3.38Å; A44-I60 HydrophobicContact CB-CD1 3.88Å; A44-I60 HydrophobicContact CB-CG1 3.81Å
45	K	95.8	Very high	91.2	Very high	155 Å²	155	56 Å²	56	67%	0.674	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	133	163.6	-60	176.8	-179	173.7	0	108.3	D56	K45-D56 HydrophobicContact CB-CB 4.24Å; K45-D56 PolarHBondContact N-O 3.42Å; K45-D56 PolarHBondContact O-N 2.91Å
46	V	95.6	Very high	91.7	Very high	23 Å²	23	56.4 Å²	56.4	14%	0.139	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	135.8	178	-173.6	0	0	0	0	108.8	I36 I39 E40 L53 E54 I55	I36-V46 HydrophobicContact CG1-CG1 4.27Å; I36-V46 HydrophobicContact CG2-CB 3.97Å; I36-V46 HydrophobicContact CG2-CG1 3.91Å; I36-V46 HydrophobicContact CG2-CG2 4.21Å; I39-V46 HydrophobicContact CD1-CG2 3.5Å; I39-V46 HydrophobicContact CG1-CG2 3.71Å; E40-V46 HydrophobicContact CG-CB 4.12Å; E40-V46 HydrophobicContact CG-CG2 3.76Å; V46-L53 HydrophobicContact CG1-CD2 4.01Å; V46-E54 CarbonylContact C-O 3.56Å; V46-E54 WeakPolarHBondContact CA-O 3.48Å; V46-I55 HydrophobicContact CG1-CG1 4.28Å; V46-I55 HydrophobicContact CG2-CG1 4.39Å; V46-I55 HydrophobicContact CG2-CG2 4.43Å
47	K	96.5	Very high	91.9	Very high	101 Å²	101	55.7 Å²	55.7	44%	0.439	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.8	170.9	-176.9	-171.3	176.8	-150.3	0	108	E49 L53 E54	K47-E49 WeakPolarHBondContact CE-OE1 3.35Å; K47-E49 VanDerWaalsContact NZ-CD 3.26Å; K47-E49 IonicContact NZ-OE1 3.86Å; K47-E49 PolarHBondContact NZ-OE1 3.22Å; K47-E49 IonicContact NZ-OE2 3.47Å; K47-L53 WeakPolarHBondContact O-CA 3.43Å; K47-E54 HydrophobicContact CB-CB 4.28Å; K47-E54 PolarHBondContact N-O 3.09Å; K47-E54 PolarHBondContact O-N 3.44Å
48	R	95.1	Very high	92.1	Very high	80 Å²	80	57.7 Å²	57.7	30%	0.302	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.3	175.9	-171.8	173.1	-171.5	157.7	10	110.3	P27 A28 D33 E50 T52 L53	P27-R48 PolarHBondContact O-NH2 2.68Å; A28-R48 VanDerWaalsContact CA-NH2 3.34Å; D33-R48 IonicContact OD1-NH1 3.9Å; D33-R48 PolarHBondContact OD1-NH1 3.12Å; R48-E50 PolarHBondContact NE-O 3.2Å; R48-T52 WeakPolarHBondContact CA-O 3.35Å; R48-L53 HydrophobicContact CB-CD2 3.54Å; R48-L53 HydrophobicContact CG-CD2 3.58Å
49	E	94.9	Very high	92.4	Very high	111 Å²	111	59.2 Å²	59.2	52%	0.519	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	109.6	170.8	-69	-175.4	161.8	0	0	107.6	K47 D51 T52	K47-E49 WeakPolarHBondContact CE-OE1 3.35Å; K47-E49 VanDerWaalsContact NZ-CD 3.26Å; K47-E49 IonicContact NZ-OE1 3.86Å; K47-E49 PolarHBondContact NZ-OE1 3.22Å; K47-E49 IonicContact NZ-OE2 3.47Å; E49-D51 PolarHBondContact O-N 3.44Å; E49-D51 VanDerWaalsContact O-N 3.11Å; E49-T52 PolarHBondContact N-O 3.02Å; E49-T52 WeakPolarHBondContact O-CA 3.36Å; E49-T52 WeakPolarHBondContact O-CB 3.45Å; E49-T52 PolarHBondContact O-N 3.11Å
50	E	92.2	Very high	92.5	Very high	183 Å²	183	61 Å²	61	86%	0.855	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	-113.2	-174.8	-58.4	-177.3	177.4	0	0	112.5	R48	R48-E50 PolarHBondContact NE-O 3.2Å
51	D	93.8	Very high	91.8	Very high	73 Å²	73	63.6 Å²	63.6	39%	0.39	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	5.7	177.8	73.7	-24.2	0	0	0	113.1	G25 V26 E49	G25-D51 WeakPolarHBondContact CA-OD2 3.41Å; G25-D51 PolarHBondContact N-O 2.73Å; G25-D51 PolarHBondContact N-OD2 3.02Å; V26-D51 WeakPolarHBondContact CB-O 3.43Å; V26-D51 PolarHBondContact N-O 2.86Å; E49-D51 PolarHBondContact O-N 3.44Å; E49-D51 VanDerWaalsContact O-N 3.11Å
52	T	96.9	Very high	91	Very high	27 Å²	27	69.9 Å²	69.9	17%	0.166	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.5	179.1	-56.2	0	0	0	0	110.9	I22 L23 D24 R48 E49	I22-T52 HydrophobicContact CG2-CG2 3.66Å; L23-T52 CarbonylContact O-C 3.6Å; L23-T52 WeakPolarHBondContact O-CA 3.37Å; D24-T52 PolarHBondContact OD1-OG1 2.87Å; R48-T52 WeakPolarHBondContact CA-O 3.35Å; E49-T52 PolarHBondContact N-O 3.02Å; E49-T52 WeakPolarHBondContact O-CA 3.36Å; E49-T52 WeakPolarHBondContact O-CB 3.45Å; E49-T52 PolarHBondContact O-N 3.11Å
53	L	96.4	Very high	90	Very high	2 Å²	2	72.2 Å²	72.2	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120	167.9	-71.9	-177.6	0	0	0	110.9	I22 L23 V26 V32 I36 V46 K47 R48	I22-L53 CarbonylContact C-O 3.59Å; I22-L53 WeakPolarHBondContact CA-O 3.44Å; L23-L53 HydrophobicContact CB-CB 4.46Å; L23-L53 PolarHBondContact N-O 3.41Å; L23-L53 PolarHBondContact O-N 3.08Å; V26-L53 HydrophobicContact CB-CD1 4.31Å; V26-L53 HydrophobicContact CB-CG 4.22Å; V26-L53 HydrophobicContact CG1-CD1 3.67Å; V26-L53 HydrophobicContact CG1-CG 4.05Å; V26-L53 HydrophobicContact CG2-CB 4.2Å; V26-L53 HydrophobicContact CG2-CD1 4.09Å; V26-L53 HydrophobicContact CG2-CG 3.99Å; V32-L53 HydrophobicContact CG1-CD1 4.14Å; I36-L53 HydrophobicContact CD1-CD1 3.99Å; I36-L53 HydrophobicContact CD1-CD2 3.68Å; I36-L53 HydrophobicContact CG1-CD1 4.21Å; I36-L53 HydrophobicContact CG1-CD2 4.46Å; V46-L53 HydrophobicContact CG1-CD2 4.01Å; K47-L53 WeakPolarHBondContact O-CA 3.43Å; R48-L53 HydrophobicContact CB-CD2 3.54Å; R48-L53 HydrophobicContact CG-CD2 3.58Å
54	E	97.4	Very high	88.3	Confident	69 Å²	69	76.7 Å²	76.7	32%	0.322	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	121.4	167.4	-177.6	-176.1	144.4	0	0	108.9	I20 I22 V46 K47	I20-E54 HydrophobicContact CG2-CG 3.48Å; I20-E54 VanDerWaalsContact CG2-CG 3.48Å; I22-E54 HydrophobicContact CG1-CB 4.35Å; I22-E54 HydrophobicContact CG1-CG 4.11Å; V46-E54 CarbonylContact C-O 3.56Å; V46-E54 WeakPolarHBondContact CA-O 3.48Å; K47-E54 HydrophobicContact CB-CB 4.28Å; K47-E54 PolarHBondContact N-O 3.09Å; K47-E54 PolarHBondContact O-N 3.44Å
55	I	96	Very high	86.6	Confident	1 Å²	1	78 Å²	78	1%	0.005	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.5	-176	-55.7	169.4	0	0	0	109	P11 A14 I20 V21 L23 I39 A44 V46 P57	P11-I55 HydrophobicContact CB-CD1 4.24Å; A14-I55 HydrophobicContact CB-CB 3.92Å; A14-I55 HydrophobicContact CB-CD1 3.8Å; A14-I55 HydrophobicContact CB-CG1 4.47Å; A14-I55 HydrophobicContact CB-CG2 3.66Å; I20-I55 WeakPolarHBondContact CA-O 3.5Å; V21-I55 PolarHBondContact N-O 2.99Å; V21-I55 PolarHBondContact O-N 3.01Å; L23-I55 HydrophobicContact CD1-CD1 4.23Å; I39-I55 HydrophobicContact CD1-CD1 4.09Å; I39-I55 HydrophobicContact CD1-CG1 4.35Å; I39-I55 HydrophobicContact CD1-CG2 4.02Å; A44-I55 HydrophobicContact CB-CG2 4.5Å; V46-I55 HydrophobicContact CG1-CG1 4.28Å; V46-I55 HydrophobicContact CG2-CG1 4.39Å; V46-I55 HydrophobicContact CG2-CG2 4.43Å; I55-P57 WeakPolarHBondContact O-CD 3.27Å
56	D	95.6	Very high	84.3	Confident	29 Å²	29	73.4 Å²	73.4	16%	0.155	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	101.9	169.8	-175.8	-7.7	0	0	0	109.9	I20 A44 K45 R58	I20-D56 HydrophobicContact CG1-CB 4.08Å; A44-D56 CarbonylContact C-O 3.17Å; A44-D56 VanDerWaalsContact CA-O 3.32Å; A44-D56 WeakPolarHBondContact CA-O 3.38Å; K45-D56 HydrophobicContact CB-CB 4.24Å; K45-D56 PolarHBondContact N-O 3.42Å; K45-D56 PolarHBondContact O-N 2.91Å; D56-R58 VanDerWaalsContact CG-NH2 3.29Å; D56-R58 WeakPolarHBondContact OD1-CB 3.4Å; D56-R58 WeakPolarHBondContact OD1-CG 3.13Å; D56-R58 IonicContact OD1-CZ 2.64Å; D56-R58 PolarHBondContact OD1-N 3.19Å; D56-R58 VanDerWaalsContact OD1-N 3.1Å; D56-R58 IonicContact OD1-NE 3.87Å; D56-R58 PolarHBondContact OD1-NE 3.47Å; D56-R58 IonicContact OD1-NH2 3.71Å; D56-R58 PolarHBondContact OD1-NH2 2.73Å; D56-R58 IonicContact OD2-CZ 3.69Å; D56-R58 IonicContact OD2-NE 2.78Å; D56-R58 PolarHBondContact OD2-NE 2.83Å; D56-R58 IonicContact OD2-NH2 3.44Å; D56-R58 PolarHBondContact OD2-NH2 2.83Å
57	P	91.8	Very high	81.7	Confident	6 Å²	6	81.2 Å²	81.2	4%	0.039	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-83.2	-7	-177	35.9	-40.6	0	0	0	114.1	A14 A17 D19 I55 G59 I60	A14-P57 WeakPolarHBondContact O-CB 3.42Å; A14-P57 WeakPolarHBondContact O-CG 3.34Å; A17-P57 HydrophobicContact CB-CG 4.09Å; A17-P57 WeakPolarHBondContact O-CG 3.35Å; D19-P57 WeakPolarHBondContact O-CD 3.3Å; I55-P57 WeakPolarHBondContact O-CD 3.27Å; P57-G59 PolarHBondContact O-N 3.17Å; P57-I60 HydrophobicContact CB-CD1 3.71Å; P57-I60 VanDerWaalsContact O-CB 3.25Å; P57-I60 WeakPolarHBondContact O-CB 3.44Å; P57-I60 WeakPolarHBondContact O-CD1 3.21Å; P57-I60 WeakPolarHBondContact O-CG1 3.22Å; P57-I60 PolarHBondContact O-N 3.24Å
58	R	90.9	Very high	78.7	Confident	138 Å²	138	81.1 Å²	81.1	52%	0.521	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-64.9	-19.8	-169.3	-64.6	172.7	-67	-154.3	-3.8	114	D18 D19 D56 I60	D18-R58 WeakPolarHBondContact O-CD 3.1Å; D18-R58 WeakPolarHBondContact O-CG 3.45Å; D19-R58 IonicContact OD1-CZ 2.9Å; D19-R58 IonicContact OD1-NH1 3.56Å; D19-R58 PolarHBondContact OD1-NH1 2.89Å; D19-R58 IonicContact OD1-NH2 3.66Å; D56-R58 VanDerWaalsContact CG-NH2 3.29Å; D56-R58 WeakPolarHBondContact OD1-CB 3.4Å; D56-R58 WeakPolarHBondContact OD1-CG 3.13Å; D56-R58 IonicContact OD1-CZ 2.64Å; D56-R58 PolarHBondContact OD1-N 3.19Å; D56-R58 VanDerWaalsContact OD1-N 3.1Å; D56-R58 IonicContact OD1-NE 3.87Å; D56-R58 PolarHBondContact OD1-NE 3.47Å; D56-R58 IonicContact OD1-NH2 3.71Å; D56-R58 PolarHBondContact OD1-NH2 2.73Å; D56-R58 IonicContact OD2-CZ 3.69Å; D56-R58 IonicContact OD2-NE 2.78Å; D56-R58 PolarHBondContact OD2-NE 2.83Å; D56-R58 IonicContact OD2-NH2 3.44Å; D56-R58 PolarHBondContact OD2-NH2 2.83Å; R58-I60 VanDerWaalsContact C-N 3.34Å
59	G	88.7	Confident	76	Confident	40 Å²	40	79.4 Å²	79.4	41%	0.412	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-83.6	-6.4	176.1	0	0	0	0	0	114.6	G43 P57	G43-G59 CarbonylContact O-C 3.22Å; G43-G59 VanDerWaalsContact O-C 3.22Å; G43-G59 WeakPolarHBondContact O-CA 3.33Å; P57-G59 PolarHBondContact O-N 3.17Å
60	I	85.4	Confident	73.2	Confident	39 Å²	39	76.1 Å²	76.1	20%	0.2	40%	0.402	C	S	.	.			trans	-64.8	137	-173.7	-68.8	170.5	0	0	0	111	I15 M42 A44 P57 R58	I15-I60 HydrophobicContact CB-CD1 3.75Å; I15-I60 HydrophobicContact CD1-CD1 4.03Å; I15-I60 HydrophobicContact CG1-CD1 3.52Å; I15-I60 HydrophobicContact CG2-CD1 3.48Å; I15-I60 VanDerWaalsContact CG2-CD1 3.48Å; I15-I60 HydrophobicContact CG2-CG2 4.09Å; M42-I60 HydrophobicContact CB-CG2 4.28Å; M42-I60 HydrophobicContact CE-CG2 4.16Å; M42-I60 VanDerWaalsContact O-CA 3.29Å; M42-I60 WeakPolarHBondContact O-CA 3.38Å; A44-I60 HydrophobicContact CB-CD1 3.88Å; A44-I60 HydrophobicContact CB-CG1 3.81Å; P57-I60 HydrophobicContact CB-CD1 3.71Å; P57-I60 VanDerWaalsContact O-CB 3.25Å; P57-I60 WeakPolarHBondContact O-CB 3.44Å; P57-I60 WeakPolarHBondContact O-CD1 3.21Å; P57-I60 WeakPolarHBondContact O-CG1 3.22Å; P57-I60 PolarHBondContact O-N 3.24Å; R58-I60 VanDerWaalsContact C-N 3.34Å
61	K	74.2	Confident	70.6	Confident	145 Å²	145	70.6 Å²	70.6	63%	0.63	40%	0.395	S	S	*	.			trans	-118.8	146.2	177.2	-63.7	-179.6	-175	175	0	110.6	M42 Q63	M42-K61 PolarHBondContact O-N 3.37Å; K61-Q63 VanDerWaalsContact C-N 3.35Å; K61-Q63 PolarHBondContact O-N 3.09Å
62	N	68	Low	67.8	Low	179 Å²	179	70.9 Å²	70.9	96%	0.957	40%	0.396	S	S	*	.			trans	-72.1	93.6	167.5	-171.5	2.1	0	0	0	108.8
63	Q	63.4	Low	65.2	Low	81 Å²	81	71.9 Å²	71.9	38%	0.379	40%	0.403	S	S	.	.			trans	-133.9	148.8	-179.2	66.9	-178	31.4	0	0	111.2	I41 K61 M65	I41-Q63 PolarHBondContact O-NE2 2.74Å; K61-Q63 VanDerWaalsContact C-N 3.35Å; K61-Q63 PolarHBondContact O-N 3.09Å; Q63-M65 PolarHBondContact O-N 2.8Å
64	P	54.1	Low	62.6	Low	121 Å²	121	73.2 Å²	73.2	79%	0.786	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-59.8	129.1	172.3	-18	29.9	0	0	0	110.2
65	M	55.2	Low	60.5	Low	36 Å²	36	72.4 Å²	72.4	18%	0.177	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-66.6	133.1	174.5	-85.8	-70.8	-72.5	0	0	110.3	I38 I41 M42 Q63 Y67 V70	I38-M65 HydrophobicContact CB-CE 4.1Å; I38-M65 HydrophobicContact CG1-CE 3.86Å; I38-M65 HydrophobicContact CG2-CE 3.64Å; I38-M65 HydrophobicContact CG2-SD 4.34Å; I41-M65 HydrophobicContact CG2-SD 3.9Å; M42-M65 HydrophobicContact CG-SD 3.8Å; M42-M65 HydrophobicContact SD-SD 4.49Å; Q63-M65 PolarHBondContact O-N 2.8Å; M65-Y67 PolarHBondContact O-N 3.2Å; M65-V70 HydrophobicContact CE-CG2 3.16Å
66	P	47.3	Very low	58.8	Low	58 Å²	58	73.1 Å²	73.1	38%	0.377	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-60	128.1	175.3	-7	14.7	0	0	0	110.4	I41 A68 T69	I41-P66 HydrophobicContact CG2-CG 3.82Å; P66-A68 PolarHBondContact O-N 3.46Å; P66-T69 PolarHBondContact O-N 3.19Å
67	Y	42.2	Very low	57.7	Low	187 Å²	187	77 Å²	77	73%	0.733	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-18.1	-179.6	-82.7	-90.9	0	0	0	114.8	M65 A103	M65-Y67 PolarHBondContact O-N 3.2Å; Y67-A103 WeakPolarHBondContact OH-CB 3.44Å
68	A	33.8	Very low	56.5	Low	98 Å²	98	77.4 Å²	77.4	81%	0.81	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-20	-169.6	0	0	0	0	0	114.6	P66	P66-A68 PolarHBondContact O-N 3.46Å
69	T	37.4	Very low	55.3	Low	45 Å²	45	71.7 Å²	71.7	28%	0.276	44%	0.439	S	S	.	.	S	Bend	trans	-105.8	-9.8	-163.7	-28.9	0	0	0	0	114.5	E37 I41 P66	E37-T69 VanDerWaalsContact CD-CG2 3.44Å; E37-T69 HydrophobicContact CG-CG2 4.07Å; E37-T69 WeakPolarHBondContact OE1-CG2 3.34Å; I41-T69 HydrophobicContact CD1-CG2 3.66Å; P66-T69 PolarHBondContact O-N 3.19Å
70	V	36.8	Very low	54.2	Low	41 Å²	41	75.2 Å²	75.2	25%	0.248	45%	0.454	C	S	.	.			trans	-118	102.6	-175.2	-163.3	0	0	0	0	110	I38 M65 L72	I38-V70 HydrophobicContact CD1-CB 4.37Å; I38-V70 HydrophobicContact CD1-CG1 3.64Å; I38-V70 HydrophobicContact CD1-CG2 3.93Å; I38-V70 HydrophobicContact CG1-CG1 4.42Å; I38-V70 HydrophobicContact CG1-CG2 3.77Å; M65-V70 HydrophobicContact CE-CG2 3.16Å; V70-L72 PolarHBondContact O-N 2.94Å
71	G	37.9	Very low	53.3	Low	68 Å²	68	78 Å²	78	70%	0.701	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-50.8	132.4	165.2	0	0	0	0	0	109.3
72	L	35.3	Very low	53.3	Low	79 Å²	79	75.4 Å²	75.4	41%	0.414	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-47.6	142.4	-179	-75.6	161	0	0	0	110.8	K3 I4 V70 G74	K3-L72 HydrophobicContact CB-CD2 4.02Å; K3-L72 HydrophobicContact CD-CD1 3.81Å; K3-L72 HydrophobicContact CD-CD2 4.25Å; K3-L72 HydrophobicContact CD-CG 4.46Å; K3-L72 HydrophobicContact CG-CD1 3.88Å; K3-L72 HydrophobicContact CG-CD2 4.19Å; I4-L72 WeakPolarHBondContact O-CD2 3.43Å; V70-L72 PolarHBondContact O-N 2.94Å; L72-G74 PolarHBondContact O-N 3.47Å
73	P	41.3	Very low	54	Low	47 Å²	47	68 Å²	68	31%	0.305	42%	0.42	S	S	.	.	S	Bend	trans	-56.4	116.9	-176.6	-21.8	32.7	0	0	0	110.7	I6 R81	I6-P73 HydrophobicContact CB-CG 4.32Å; I6-P73 WeakPolarHBondContact O-CB 3.24Å; I6-P73 WeakPolarHBondContact O-CG 3.44Å; P73-R81 VanDerWaalsContact O-CZ 3.31Å; P73-R81 PolarHBondContact O-NH1 3.23Å; P73-R81 PolarHBondContact O-NH2 3.3Å
74	G	43	Very low	55	Low	30 Å²	30	68.3 Å²	68.3	31%	0.309	42%	0.424	S	S	.	.			trans	78.5	78.4	179.4	0	0	0	0	0	115.7	L72 C76 R81	L72-G74 PolarHBondContact O-N 3.47Å; G74-C76 PolarHBondContact O-N 3.47Å; G74-R81 VanDerWaalsContact C-NH2 3.35Å; G74-R81 VanDerWaalsContact CA-NH1 3.34Å; G74-R81 PolarHBondContact O-NH2 2.95Å
75	G	51.4	Low	56.6	Low	52 Å²	52	63 Å²	63	54%	0.536	39%	0.389	S	S	.	.			trans	-56.1	2.6	166.3	0	0	0	0	0	115.8	F355	G75-F355 WeakPolarHBondContact O-CE1 3.48Å
76	C	60.2	Low	58.2	Low	16 Å²	16	62.3 Å²	62.3	11%	0.108	39%	0.386	C	S	.	.	S	Bend	trans	-96.1	119	169.4	-57.7	0	0	0	0	110.2	G74 L78 D330 R358	G74-C76 PolarHBondContact O-N 3.47Å; C76-L78 VanDerWaalsContact C-N 3.26Å; C76-L78 HydrophobicContact CB-CD1 4.04Å; C76-L78 HydrophobicContact CB-CD2 4.11Å; C76-L78 HydrophobicContact CB-CG 3.69Å; C76-L78 PolarHBondContact O-N 2.95Å; C76-D330 HydrophobicContact CB-CB 3.85Å; C76-R358 PolarHBondContact SG-NH1 2.95Å
77	D	72.5	Confident	60.1	Low	110 Å²	110	60.4 Å²	60.4	59%	0.588	37%	0.372	S	S	*	.			trans	-78.5	76.5	170.7	176.6	31.8	0	0	0	110	K294	D77-K294 VanDerWaalsContact CG-NZ 3.26Å; D77-K294 PolarHBondContact O-NZ 3.37Å; D77-K294 IonicContact OD2-NZ 3.61Å; D77-K294 PolarHBondContact OD2-NZ 3.28Å
78	L	67	Low	62.5	Low	16 Å²	16	55.3 Å²	55.3	8%	0.084	35%	0.354	C	S	.	.	S	Bend	trans	-93.5	-0	178.2	-57.3	-178.9	0	0	0	113	C76 Y289 R292 D330	C76-L78 VanDerWaalsContact C-N 3.26Å; C76-L78 HydrophobicContact CB-CD1 4.04Å; C76-L78 HydrophobicContact CB-CD2 4.11Å; C76-L78 HydrophobicContact CB-CG 3.69Å; C76-L78 PolarHBondContact O-N 2.95Å; L78-Y289 HydrophobicContact CB-CD1 4.33Å; L78-Y289 HydrophobicContact CB-CG 4.42Å; L78-R292 HydrophobicContact CD2-CG 4.11Å; L78-D330 HydrophobicContact CD2-CB 3.9Å
79	G	67.1	Low	65.2	Low	18 Å²	18	50.7 Å²	50.7	19%	0.186	32%	0.316	C	S	.	.	S	Bend	trans	115.3	-179.3	-169	0	0	0	0	0	112.9	R81	G79-R81 PolarHBondContact O-N 3.27Å
80	P	64.1	Low	67.7	Low	113 Å²	113	50.3 Å²	50.3	73%	0.734	31%	0.31	S	S	*	.			trans	-61.8	128.2	179.2	-17.7	30.6	0	0	0	110.6	P82	P80-P82 WeakPolarHBondContact O-CD 3.35Å
81	R	68	Low	70.3	Confident	99 Å²	99	53.1 Å²	53.1	37%	0.374	32%	0.321	S	S	.	.			trans	-113.6	81.3	170	-73.9	177.9	-67.9	114.1	11.8	107.4	P73 G74 G79 Y289	P73-R81 VanDerWaalsContact O-CZ 3.31Å; P73-R81 PolarHBondContact O-NH1 3.23Å; P73-R81 PolarHBondContact O-NH2 3.3Å; G74-R81 VanDerWaalsContact C-NH2 3.35Å; G74-R81 VanDerWaalsContact CA-NH1 3.34Å; G74-R81 PolarHBondContact O-NH2 2.95Å; G79-R81 PolarHBondContact O-N 3.27Å; R81-Y289 HydrophobicContact CG-CE1 3.88Å
82	P	74	Confident	73	Confident	89 Å²	89	51.9 Å²	51.9	58%	0.578	30%	0.304	S	S	*	.			trans	-64.8	140.7	-177.7	31.7	-35.6	0	0	0	108.8	P80 D84	P80-P82 WeakPolarHBondContact O-CD 3.35Å; P82-D84 WeakPolarHBondContact CB-OD1 3.46Å
83	I	81.4	Confident	75.8	Confident	23 Å²	23	48.2 Å²	48.2	12%	0.118	29%	0.285	C	S	.	.			trans	-99	3.2	179.7	61.2	147.8	0	0	0	112.4	I4 I6 L85 H86 L87 M104	I4-I83 HydrophobicContact CB-CD1 4.38Å; I4-I83 HydrophobicContact CD1-CD1 4.08Å; I4-I83 HydrophobicContact CD1-CG1 3.91Å; I4-I83 HydrophobicContact CG1-CD1 4.47Å; I4-I83 HydrophobicContact CG2-CB 4.37Å; I4-I83 HydrophobicContact CG2-CD1 3.14Å; I4-I83 HydrophobicContact CG2-CG1 3.68Å; I4-I83 HydrophobicContact CG2-CG2 3.91Å; I6-I83 HydrophobicContact CD1-CB 3.37Å; I6-I83 HydrophobicContact CD1-CD1 3.54Å; I6-I83 HydrophobicContact CD1-CG1 4.07Å; I6-I83 HydrophobicContact CD1-CG2 3.42Å; I6-I83 VanDerWaalsContact CD1-CG2 3.42Å; I6-I83 HydrophobicContact CG1-CB 4.29Å; I6-I83 HydrophobicContact CG1-CD1 3.95Å; I6-I83 HydrophobicContact CG1-CG2 3.94Å; I83-L85 PolarHBondContact O-N 3.04Å; I83-H86 WeakPolarHBondContact O-CB 3.43Å; I83-H86 PolarHBondContact O-N 3.33Å; I83-L87 HydrophobicContact CD1-CD1 3.47Å; I83-L87 VanDerWaalsContact CD1-CD1 3.47Å; I83-L87 HydrophobicContact CD1-CD2 4.09Å; I83-L87 HydrophobicContact CD1-CG 3.77Å; I83-L87 HydrophobicContact CG1-CD1 3.94Å; I83-L87 HydrophobicContact CG1-CG 4.28Å; I83-L87 WeakPolarHBondContact O-CG 3.23Å; I83-L87 PolarHBondContact O-N 3.4Å; I83-L87 VanDerWaalsContact O-N 3.07Å; I83-M104 HydrophobicContact CD1-CE 3.82Å; I83-M104 HydrophobicContact CD1-SD 3.97Å
84	D	84.7	Confident	78.2	Confident	88 Å²	88	47.2 Å²	47.2	47%	0.471	28%	0.283	S	S	.	.	H	α-helix	trans	-50.3	-41.4	-178.4	57.9	-25.8	0	0	0	112.4	P82 H86 L87 K88	P82-D84 WeakPolarHBondContact CB-OD1 3.46Å; D84-H86 VanDerWaalsContact C-N 3.35Å; D84-H86 PolarHBondContact O-N 3.19Å; D84-L87 PolarHBondContact O-N 3.5Å; D84-K88 VanDerWaalsContact O-CB 3.26Å; D84-K88 WeakPolarHBondContact O-CB 3.34Å; D84-K88 PolarHBondContact O-N 3.29Å
85	L	87.2	Confident	80.3	Confident	10 Å²	10	46.4 Å²	46.4	5%	0.052	27%	0.273	C	S	.	.	H	α-helix	trans	-64.8	-36.5	176.8	-68.5	-179.2	0	0	0	113.4	I83 A89 M120 D121 T122 A127	I83-L85 PolarHBondContact O-N 3.04Å; L85-A89 WeakPolarHBondContact O-CB 3.24Å; L85-A89 PolarHBondContact O-N 3.38Å; L85-A89 VanDerWaalsContact O-N 3.09Å; L85-M120 HydrophobicContact CB-SD 4.46Å; L85-D121 HydrophobicContact CD2-CB 4.29Å; L85-T122 WeakPolarHBondContact CD1-O 3.2Å; L85-T122 WeakPolarHBondContact CD1-OG1 3.31Å; L85-A127 HydrophobicContact CB-CB 3.74Å
86	H	89.7	Confident	81.8	Confident	21 Å²	21	46.6 Å²	46.6	10%	0.097	26%	0.264	C	S	.	.	H	α-helix	trans	-66.5	-45	175.7	-56.1	-114.1	0	0	0	110.1	I6 I83 D84 A89 F90 G126 A127 N130	I6-H86 HydrophobicContact CD1-CB 4.2Å; I83-H86 WeakPolarHBondContact O-CB 3.43Å; I83-H86 PolarHBondContact O-N 3.33Å; D84-H86 VanDerWaalsContact C-N 3.35Å; D84-H86 PolarHBondContact O-N 3.19Å; H86-A89 PolarHBondContact O-N 3.01Å; H86-F90 HydrophobicContact CB-CE2 4.42Å; H86-F90 VanDerWaalsContact O-CD2 3.22Å; H86-F90 WeakPolarHBondContact O-CD2 3.44Å; H86-F90 VanDerWaalsContact O-CG 3.3Å; H86-F90 WeakPolarHBondContact O-CG 3.49Å; H86-F90 PolarHBondContact O-N 3.47Å; H86-G126 PolarHBondContact CE1-O 2.85Å; H86-A127 PolarHBondContact CE1-N 3.42Å; H86-N130 PolarHBondContact ND1-ND2 2.84Å
87	L	88.1	Confident	82.9	Confident	19 Å²	19	48 Å²	48	10%	0.099	27%	0.27	C	S	.	.	H	α-helix	trans	-63.4	-49	179.7	-67.3	-177.4	0	0	0	111.6	I83 D84 A89 F90 E91 I97 M104 L106	I83-L87 HydrophobicContact CD1-CD1 3.47Å; I83-L87 VanDerWaalsContact CD1-CD1 3.47Å; I83-L87 HydrophobicContact CD1-CD2 4.09Å; I83-L87 HydrophobicContact CD1-CG 3.77Å; I83-L87 HydrophobicContact CG1-CD1 3.94Å; I83-L87 HydrophobicContact CG1-CG 4.28Å; I83-L87 WeakPolarHBondContact O-CG 3.23Å; I83-L87 PolarHBondContact O-N 3.4Å; I83-L87 VanDerWaalsContact O-N 3.07Å; D84-L87 PolarHBondContact O-N 3.5Å; L87-A89 VanDerWaalsContact C-N 3.27Å; L87-A89 PolarHBondContact O-N 3.1Å; L87-F90 PolarHBondContact O-N 2.72Å; L87-F90 VanDerWaalsContact O-N 3.15Å; L87-E91 WeakPolarHBondContact O-CG 3.4Å; L87-E91 PolarHBondContact O-N 3.27Å; L87-I97 HydrophobicContact CB-CD1 3.68Å; L87-I97 HydrophobicContact CD1-CD1 4.03Å; L87-I97 HydrophobicContact CD2-CD1 3.97Å; L87-I97 HydrophobicContact CD2-CG1 4.44Å; L87-I97 HydrophobicContact CG-CD1 4.08Å; L87-M104 HydrophobicContact CD1-SD 4.05Å; L87-M104 HydrophobicContact CD2-CE 3.85Å; L87-M104 HydrophobicContact CD2-SD 3.75Å; L87-L106 HydrophobicContact CD2-CD1 4.09Å; L87-L106 HydrophobicContact CD2-CD2 4Å; L87-L106 HydrophobicContact CD2-CG 4.41Å
88	K	90.7	Very high	83.4	Confident	80 Å²	80	44.9 Å²	44.9	35%	0.348	26%	0.257	S	S	.	.	H	α-helix	trans	-54.7	-43.8	175.3	-177.8	-171.4	-178.9	-169.4	0	111.4	D84 A92 Y119 D121	D84-K88 VanDerWaalsContact O-CB 3.26Å; D84-K88 WeakPolarHBondContact O-CB 3.34Å; D84-K88 PolarHBondContact O-N 3.29Å; K88-A92 WeakPolarHBondContact O-CB 3.47Å; K88-A92 PolarHBondContact O-N 2.9Å; K88-Y119 PolarHBondContact NZ-O 2.88Å; K88-Y119 VanDerWaalsContact NZ-O 3.14Å; K88-D121 IonicContact NZ-OD1 3.02Å; K88-D121 PolarHBondContact NZ-OD1 2.87Å; K88-D121 IonicContact NZ-OD2 2.7Å; K88-D121 PolarHBondContact NZ-OD2 2.74Å
89	A	91.2	Very high	83.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.3	-47.6	177.7	0	0	0	0	0	111.8	L85 H86 L87 E91 A92 M93 I118 M120 T131	L85-A89 WeakPolarHBondContact O-CB 3.24Å; L85-A89 PolarHBondContact O-N 3.38Å; L85-A89 VanDerWaalsContact O-N 3.09Å; H86-A89 PolarHBondContact O-N 3.01Å; L87-A89 VanDerWaalsContact C-N 3.27Å; L87-A89 PolarHBondContact O-N 3.1Å; A89-E91 PolarHBondContact O-N 3Å; A89-A92 PolarHBondContact O-N 3.5Å; A89-M93 VanDerWaalsContact O-CG 3.3Å; A89-M93 WeakPolarHBondContact O-CG 3.5Å; A89-M93 PolarHBondContact O-N 3.28Å; A89-I118 HydrophobicContact CB-CD1 4.1Å; A89-I118 HydrophobicContact CB-CG2 4.17Å; A89-M120 HydrophobicContact CB-CE 4.25Å; A89-T131 HydrophobicContact CB-CG2 4Å; A89-T131 WeakPolarHBondContact CB-OG1 3.19Å
90	F	90.3	Very high	84.2	Confident	37 Å²	37	56.2 Å²	56.2	16%	0.162	30%	0.299	C	S	.	.	H	α-helix	trans	-65.7	-38	178.3	-63	-34.7	0	0	0	113	H86 L87 M93 G94 A95 L106 N130 A134	H86-F90 HydrophobicContact CB-CE2 4.42Å; H86-F90 VanDerWaalsContact O-CD2 3.22Å; H86-F90 WeakPolarHBondContact O-CD2 3.44Å; H86-F90 VanDerWaalsContact O-CG 3.3Å; H86-F90 WeakPolarHBondContact O-CG 3.49Å; H86-F90 PolarHBondContact O-N 3.47Å; L87-F90 PolarHBondContact O-N 2.72Å; L87-F90 VanDerWaalsContact O-N 3.15Å; F90-M93 CarbonylContact O-C 3.53Å; F90-M93 PolarHBondContact O-N 2.87Å; F90-M93 VanDerWaalsContact O-N 3.14Å; F90-G94 PolarHBondContact O-N 2.8Å; F90-A95 HydrophobicContact CB-CB 3.99Å; F90-A95 VanDerWaalsContact O-CB 3.24Å; F90-A95 WeakPolarHBondContact O-CB 3.5Å; F90-A95 PolarHBondContact O-N 2.9Å; F90-L106 HydrophobicContact CB-CD2 4.3Å; F90-L106 HydrophobicContact CD2-CD1 3.91Å; F90-L106 HydrophobicContact CD2-CD2 4.35Å; F90-L106 HydrophobicContact CE2-CD1 4.27Å; F90-N130 HydrophobicContact CE1-CB 4.38Å; F90-N130 HydrophobicContact CZ-CB 3.85Å; F90-A134 HydrophobicContact CD1-CB 4.17Å; F90-A134 HydrophobicContact CE1-CB 3.75Å
91	E	92	Very high	84.9	Confident	100 Å²	100	54.4 Å²	54.4	47%	0.467	30%	0.301	S	S	.	.	H	α-helix	trans	-61.6	-43.1	173.5	-73.9	-177.7	134.7	0	0	111.9	L87 A89 M93 G94 A95 I97	L87-E91 WeakPolarHBondContact O-CG 3.4Å; L87-E91 PolarHBondContact O-N 3.27Å; A89-E91 PolarHBondContact O-N 3Å; E91-M93 PolarHBondContact O-N 3.47Å; E91-G94 PolarHBondContact O-N 3.03Å; E91-A95 VanDerWaalsContact CA-O 3.31Å; E91-A95 WeakPolarHBondContact CA-O 3.34Å; E91-I97 HydrophobicContact CG-CD1 3.73Å; E91-I97 HydrophobicContact CG-CG1 3.87Å; E91-I97 VanDerWaalsContact OE1-CD1 3.22Å; E91-I97 WeakPolarHBondContact OE1-CD1 3.34Å
92	A	94.1	Very high	85.1	Confident	43 Å²	43	57.2 Å²	57.2	36%	0.355	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-25.2	175.4	0	0	0	0	0	112.9	K88 A89 H114 A116 I118	K88-A92 WeakPolarHBondContact O-CB 3.47Å; K88-A92 PolarHBondContact O-N 2.9Å; A89-A92 PolarHBondContact O-N 3.5Å; A92-H114 PolarHBondContact O-CE1 2.94Å; A92-A116 HydrophobicContact CB-CB 4.14Å; A92-A116 WeakPolarHBondContact O-CB 3.4Å; A92-I118 HydrophobicContact CB-CD1 4.43Å; A92-I118 HydrophobicContact CB-CG1 3.96Å
93	M	93.9	Very high	84.8	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	10.3	176.4	-59.4	176.3	78.1	0	0	113.7	A89 F90 E91 I113 H114 A116 I118 T131 A134 A135 A138	A89-M93 VanDerWaalsContact O-CG 3.3Å; A89-M93 WeakPolarHBondContact O-CG 3.5Å; A89-M93 PolarHBondContact O-N 3.28Å; F90-M93 CarbonylContact O-C 3.53Å; F90-M93 PolarHBondContact O-N 2.87Å; F90-M93 VanDerWaalsContact O-N 3.14Å; E91-M93 PolarHBondContact O-N 3.47Å; M93-I113 HydrophobicContact CB-CG2 3.63Å; M93-I113 HydrophobicContact CE-CG2 3.61Å; M93-I113 WeakPolarHBondContact O-CG2 3.29Å; M93-I113 HydrophobicContact SD-CG2 4.41Å; M93-H114 WeakPolarHBondContact CA-O 3.49Å; M93-H114 WeakPolarHBondContact CB-O 3.31Å; M93-H114 PolarHBondContact O-CD2 3.39Å; M93-H114 PolarHBondContact O-N 2.97Å; M93-A116 HydrophobicContact CG-CB 3.98Å; M93-I118 HydrophobicContact CG-CD1 3.98Å; M93-I118 HydrophobicContact SD-CD1 4.28Å; M93-T131 HydrophobicContact SD-CG2 4.14Å; M93-A134 HydrophobicContact CE-CB 4.13Å; M93-A134 HydrophobicContact SD-CB 4.15Å; M93-A135 HydrophobicContact CE-CB 3.84Å; M93-A138 HydrophobicContact CE-CB 3.88Å
94	G	90.9	Very high	84.5	Confident	27 Å²	27	55.1 Å²	55.1	28%	0.278	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.7	4.8	173.6	0	0	0	0	0	115.4	F90 E91 H114	F90-G94 PolarHBondContact O-N 2.8Å; E91-G94 PolarHBondContact O-N 3.03Å; G94-H114 WeakPolarHBondContact CA-NE2 3.09Å; G94-H114 PolarHBondContact N-NE2 3.09Å
95	A	87.7	Confident	84.1	Confident	12 Å²	12	56.7 Å²	56.7	10%	0.099	31%	0.305	C	S	.	.			trans	-75.6	147	172.4	0	0	0	0	0	111.2	F90 E91 L106	F90-A95 HydrophobicContact CB-CB 3.99Å; F90-A95 VanDerWaalsContact O-CB 3.24Å; F90-A95 WeakPolarHBondContact O-CB 3.5Å; F90-A95 PolarHBondContact O-N 2.9Å; E91-A95 VanDerWaalsContact CA-O 3.31Å; E91-A95 WeakPolarHBondContact CA-O 3.34Å; A95-L106 HydrophobicContact CB-CD2 4.35Å
96	T	83.3	Confident	83.7	Confident	57 Å²	57	59.5 Å²	59.5	35%	0.35	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	139.4	170.8	57.4	0	0	0	0	109.6	L106 A107	T96-L106 WeakPolarHBondContact O-CA 3.36Å; T96-A107 PolarHBondContact N-O 3.06Å; T96-A107 PolarHBondContact O-N 3.39Å; T96-A107 PolarHBondContact OG1-O 3.24Å
97	I	83.8	Confident	83.2	Confident	45 Å²	45	59.6 Å²	59.6	23%	0.231	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.9	177.2	-52.4	172.2	0	0	0	108.3	L87 E91 Y99 M104 L106	L87-I97 HydrophobicContact CB-CD1 3.68Å; L87-I97 HydrophobicContact CD1-CD1 4.03Å; L87-I97 HydrophobicContact CD2-CD1 3.97Å; L87-I97 HydrophobicContact CD2-CG1 4.44Å; L87-I97 HydrophobicContact CG-CD1 4.08Å; E91-I97 HydrophobicContact CG-CD1 3.73Å; E91-I97 HydrophobicContact CG-CG1 3.87Å; E91-I97 VanDerWaalsContact OE1-CD1 3.22Å; E91-I97 WeakPolarHBondContact OE1-CD1 3.34Å; I97-Y99 HydrophobicContact CG2-CE2 4.3Å; I97-M104 HydrophobicContact CG2-CG 4.05Å; I97-M104 HydrophobicContact CG2-SD 4.35Å; I97-L106 HydrophobicContact CG1-CD2 3.73Å
98	S	81.5	Confident	82.8	Confident	44 Å²	44	60.2 Å²	60.2	31%	0.308	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	161.9	172.6	55.7	0	0	0	0	110.2	R105	S98-R105 PolarHBondContact N-O 2.58Å; S98-R105 PolarHBondContact O-N 3.18Å
99	Y	78.6	Confident	82.2	Confident	163 Å²	163	62.7 Å²	62.7	64%	0.639	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	119.3	177.2	-65.5	-85.8	0	0	0	109	I97 A103 M104	I97-Y99 HydrophobicContact CG2-CE2 4.3Å; Y99-A103 WeakPolarHBondContact CA-O 3.32Å; Y99-M104 HydrophobicContact CD1-CB 4.32Å; Y99-M104 HydrophobicContact CE1-CB 4.1Å; Y99-M104 HydrophobicContact CE1-CG 4.17Å
100	E	73.7	Confident	81.4	Confident	110 Å²	110	66.6 Å²	66.6	51%	0.514	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	90.9	174.2	-69.7	-178.6	-173	0	0	107.8	E102 A103 R105	E100-E102 PolarHBondContact O-N 3.3Å; E100-A103 PolarHBondContact N-O 3.37Å; E100-A103 PolarHBondContact O-N 3.22Å; E100-R105 WeakPolarHBondContact OE1-CD 3.04Å; E100-R105 IonicContact OE1-CZ 2.81Å; E100-R105 IonicContact OE1-NE 2.82Å; E100-R105 IonicContact OE1-NH1 3.43Å; E100-R105 PolarHBondContact OE1-NH1 3.04Å; E100-R105 IonicContact OE2-NH1 3.99Å
101	G	78.2	Confident	80.9	Confident	75 Å²	75	71.9 Å²	71.9	77%	0.773	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	-117.9	-171.5	0	0	0	0	0	111.5
102	E	72.1	Confident	80.4	Confident	157 Å²	157	70.7 Å²	70.7	73%	0.734	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-5.4	176.2	-60.1	-163.7	156.9	0	0	113.2	E100	E100-E102 PolarHBondContact O-N 3.3Å
103	A	68.4	Low	80.1	Confident	30 Å²	30	71.4 Å²	71.4	25%	0.248	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	135.9	178.1	0	0	0	0	0	111.6	Y67 Y99 E100	Y67-A103 WeakPolarHBondContact OH-CB 3.44Å; Y99-A103 WeakPolarHBondContact CA-O 3.32Å; E100-A103 PolarHBondContact N-O 3.37Å; E100-A103 PolarHBondContact O-N 3.22Å
104	M	75.2	Confident	80	Confident	39 Å²	39	75.2 Å²	75.2	19%	0.192	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	133.8	166.7	-176.7	179.2	70.8	0	0	109.1	I6 I83 L87 I97 Y99 L106	I6-M104 HydrophobicContact CG1-CE 4.27Å; I83-M104 HydrophobicContact CD1-CE 3.82Å; I83-M104 HydrophobicContact CD1-SD 3.97Å; L87-M104 HydrophobicContact CD1-SD 4.05Å; L87-M104 HydrophobicContact CD2-CE 3.85Å; L87-M104 HydrophobicContact CD2-SD 3.75Å; I97-M104 HydrophobicContact CG2-CG 4.05Å; I97-M104 HydrophobicContact CG2-SD 4.35Å; Y99-M104 HydrophobicContact CD1-CB 4.32Å; Y99-M104 HydrophobicContact CE1-CB 4.1Å; Y99-M104 HydrophobicContact CE1-CG 4.17Å; M104-L106 HydrophobicContact CE-CD1 4.31Å
105	R	76	Confident	80.2	Confident	121 Å²	121	74.8 Å²	74.8	46%	0.457	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.9	176.1	176.2	177.4	-175.6	136.8	6.7	109.9	S98 E100	S98-R105 PolarHBondContact N-O 2.58Å; S98-R105 PolarHBondContact O-N 3.18Å; E100-R105 WeakPolarHBondContact OE1-CD 3.04Å; E100-R105 IonicContact OE1-CZ 2.81Å; E100-R105 IonicContact OE1-NE 2.82Å; E100-R105 IonicContact OE1-NH1 3.43Å; E100-R105 PolarHBondContact OE1-NH1 3.04Å; E100-R105 IonicContact OE2-NH1 3.99Å
106	L	78.5	Confident	80.7	Confident	68 Å²	68	74.9 Å²	74.9	36%	0.356	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	124.1	171.2	-75.4	155.8	0	0	0	108.2	L87 F90 A95 T96 I97 M104	L87-L106 HydrophobicContact CD2-CD1 4.09Å; L87-L106 HydrophobicContact CD2-CD2 4Å; L87-L106 HydrophobicContact CD2-CG 4.41Å; F90-L106 HydrophobicContact CB-CD2 4.3Å; F90-L106 HydrophobicContact CD2-CD1 3.91Å; F90-L106 HydrophobicContact CD2-CD2 4.35Å; F90-L106 HydrophobicContact CE2-CD1 4.27Å; A95-L106 HydrophobicContact CB-CD2 4.35Å; T96-L106 WeakPolarHBondContact O-CA 3.36Å; I97-L106 HydrophobicContact CG1-CD2 3.73Å; M104-L106 HydrophobicContact CE-CD1 4.31Å
107	A	79.5	Confident	81.4	Confident	23 Å²	23	77.8 Å²	77.8	19%	0.19	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	146.1	-179.8	0	0	0	0	0	112.7	T96 N109	T96-A107 PolarHBondContact N-O 3.06Å; T96-A107 PolarHBondContact O-N 3.39Å; T96-A107 PolarHBondContact OG1-O 3.24Å; A107-N109 VanDerWaalsContact C-N 3.33Å
108	T	79	Confident	82	Confident	32 Å²	32	75.9 Å²	75.9	20%	0.196	43%	0.425	C	S	.	.			trans	-93.3	16.6	174.9	51.1	0	0	0	0	113.2	G110 E111 I113	T108-G110 PolarHBondContact O-N 3.28Å; T108-E111 WeakPolarHBondContact CB-O 3.49Å; T108-E111 WeakPolarHBondContact O-CB 3.35Å; T108-E111 PolarHBondContact O-N 2.87Å; T108-E111 PolarHBondContact OG1-O 2.77Å; T108-I113 HydrophobicContact CG2-CG1 3.56Å
109	N	78.2	Confident	82.8	Confident	132 Å²	132	79.8 Å²	79.8	71%	0.706	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	29.8	-178.4	-62.6	-33.4	0	0	0	115.2	A107	A107-N109 VanDerWaalsContact C-N 3.33Å
110	G	74	Confident	83.5	Confident	82 Å²	82	72 Å²	72	85%	0.845	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.1	-4.6	179.9	0	0	0	0	0	114.7	T108	T108-G110 PolarHBondContact O-N 3.28Å
111	E	79.6	Confident	84.4	Confident	148 Å²	148	71.4 Å²	71.4	69%	0.692	40%	0.404	S	S	*	.	S	Bend	trans	-82.8	158	171.5	-58.5	-170.6	164.3	0	0	111	T108	T108-E111 WeakPolarHBondContact CB-O 3.49Å; T108-E111 WeakPolarHBondContact O-CB 3.35Å; T108-E111 PolarHBondContact O-N 2.87Å; T108-E111 PolarHBondContact OG1-O 2.77Å
112	S	81.3	Confident	85.1	Confident	75 Å²	75	72.1 Å²	72.1	52%	0.524	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-73	145.5	168.7	-62.1	0	0	0	0	110	H114 N139	S112-H114 PolarHBondContact O-N 3.34Å; S112-N139 VanDerWaalsContact CB-ND2 3.28Å; S112-N139 WeakPolarHBondContact CB-ND2 3.37Å
113	I	87.7	Confident	86.1	Confident	59 Å²	59	67.1 Å²	67.1	30%	0.303	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-55.8	139.1	166.3	-65.1	179.8	0	0	0	108.3	M93 T108 A138 N139	M93-I113 HydrophobicContact CB-CG2 3.63Å; M93-I113 HydrophobicContact CE-CG2 3.61Å; M93-I113 WeakPolarHBondContact O-CG2 3.29Å; M93-I113 HydrophobicContact SD-CG2 4.41Å; T108-I113 HydrophobicContact CG2-CG1 3.56Å; I113-A138 HydrophobicContact CB-CB 4.39Å; I113-A138 HydrophobicContact CG2-CB 3.85Å; I113-A138 CarbonylContact O-C 3.4Å; I113-A138 WeakPolarHBondContact O-CA 3.49Å; I113-N139 PolarHBondContact O-N 3.32Å
114	H	92.4	Very high	87.2	Confident	80 Å²	80	66.9 Å²	66.9	37%	0.37	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-114.8	158.4	179.2	66.2	76.4	0	0	0	112.2	A92 M93 G94 S112 N139	A92-H114 PolarHBondContact O-CE1 2.94Å; M93-H114 WeakPolarHBondContact CA-O 3.49Å; M93-H114 WeakPolarHBondContact CB-O 3.31Å; M93-H114 PolarHBondContact O-CD2 3.39Å; M93-H114 PolarHBondContact O-N 2.97Å; G94-H114 WeakPolarHBondContact CA-NE2 3.09Å; G94-H114 PolarHBondContact N-NE2 3.09Å; S112-H114 PolarHBondContact O-N 3.34Å; H114-N139 WeakPolarHBondContact CA-O 3.3Å
115	G	95.3	Very high	88.1	Confident	18 Å²	18	67.7 Å²	67.7	19%	0.186	38%	0.377	C	S	.	.			trans	-62.7	148.3	173.1	0	0	0	0	0	112.1	N139 R141 T142	G115-N139 PolarHBondContact N-O 3.44Å; G115-R141 CarbonylContact C-O 3.58Å; G115-R141 VanDerWaalsContact C-O 3.31Å; G115-R141 WeakPolarHBondContact CA-O 3.21Å; G115-T142 WeakPolarHBondContact CA-OG1 3.38Å
116	A	97.6	Very high	88.8	Confident	15 Å²	15	63.2 Å²	63.2	12%	0.124	37%	0.369	C	S	.	.			trans	-148	157.7	-177.9	0	0	0	0	0	112.4	A92 M93 I118 R141 T142 I143	A92-A116 HydrophobicContact CB-CB 4.14Å; A92-A116 WeakPolarHBondContact O-CB 3.4Å; M93-A116 HydrophobicContact CG-CB 3.98Å; A116-I118 HydrophobicContact CB-CD1 4.16Å; A116-I118 HydrophobicContact CB-CG1 3.98Å; A116-R141 PolarHBondContact N-O 3.36Å; A116-T142 CarbonylContact O-C 3.52Å; A116-T142 VanDerWaalsContact O-CA 3.23Å; A116-T142 WeakPolarHBondContact O-CA 3.37Å; A116-T142 WeakPolarHBondContact O-CG2 3.25Å; A116-I143 PolarHBondContact O-N 3.42Å
117	H	98.2	Very high	89.4	Confident	117 Å²	117	60 Å²	60	54%	0.542	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	114.2	169	-169.9	-177	0	0	0	108.9	E145	H117-E145 IonicContact CD2-OE1 3.45Å; H117-E145 IonicContact CE1-OE1 3.49Å; H117-E145 PolarHBondContact CE1-OE1 2.98Å; H117-E145 VanDerWaalsContact CE1-OE1 3.28Å; H117-E145 IonicContact NE2-OE1 2.71Å; H117-E145 PolarHBondContact NE2-OE1 3.02Å; H117-E145 IonicContact NE2-OE2 2.65Å
118	I	97.7	Very high	90.2	Very high	6 Å²	6	58.9 Å²	58.9	3%	0.031	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	115.4	-168	-58.4	164.3	0	0	0	108.8	A89 A92 M93 A116 M120 T131 T142 I143 I144 E145	A89-I118 HydrophobicContact CB-CD1 4.1Å; A89-I118 HydrophobicContact CB-CG2 4.17Å; A92-I118 HydrophobicContact CB-CD1 4.43Å; A92-I118 HydrophobicContact CB-CG1 3.96Å; M93-I118 HydrophobicContact CG-CD1 3.98Å; M93-I118 HydrophobicContact SD-CD1 4.28Å; A116-I118 HydrophobicContact CB-CD1 4.16Å; A116-I118 HydrophobicContact CB-CG1 3.98Å; I118-M120 HydrophobicContact CG2-CE 4.04Å; I118-M120 HydrophobicContact CG2-SD 4.37Å; I118-T131 HydrophobicContact CD1-CG2 3.52Å; I118-T142 HydrophobicContact CD1-CG2 4.12Å; I118-I143 PolarHBondContact N-O 3.2Å; I118-I144 WeakPolarHBondContact O-CA 3.5Å; I118-E145 PolarHBondContact O-N 3.01Å
119	Y	97.1	Very high	90.9	Very high	125 Å²	125	58.5 Å²	58.5	49%	0.49	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121	168.5	-173.7	-90.2	0	0	0	110.4	K88 E145 N146	K88-Y119 PolarHBondContact NZ-O 2.88Å; K88-Y119 VanDerWaalsContact NZ-O 3.14Å; Y119-E145 HydrophobicContact CD2-CB 3.79Å; Y119-E145 HydrophobicContact CE2-CB 4.49Å; Y119-N146 HydrophobicContact CE2-CB 4.15Å
120	M	94.2	Very high	91.6	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	31%	0.312	C	S	.	.			trans	-81.6	115.6	176.4	-63.9	-68.6	-179.3	0	0	110	L85 A89 I118 T122 A127 T131 I144 E145 N146	L85-M120 HydrophobicContact CB-SD 4.46Å; A89-M120 HydrophobicContact CB-CE 4.25Å; I118-M120 HydrophobicContact CG2-CE 4.04Å; I118-M120 HydrophobicContact CG2-SD 4.37Å; M120-T122 PolarHBondContact O-N 3.46Å; M120-A127 HydrophobicContact CE-CB 4.17Å; M120-A127 HydrophobicContact SD-CB 4.16Å; M120-T131 HydrophobicContact CE-CG2 4.49Å; M120-T131 WeakPolarHBondContact CE-OG1 3.43Å; M120-I144 HydrophobicContact CE-CG2 3.76Å; M120-I144 HydrophobicContact CG-CG2 4.01Å; M120-E145 WeakPolarHBondContact CB-O 3.33Å; M120-E145 PolarHBondContact N-O 3.34Å; M120-N146 HydrophobicContact CB-CB 4.31Å; M120-N146 PolarHBondContact O-ND2 3.4Å
121	D	92.3	Very high	92.5	Very high	97 Å²	97	49.6 Å²	49.6	52%	0.519	27%	0.272	S	S	.	.	S	Bend	trans	-65.2	-29.1	-175.4	-58.4	-34.5	0	0	0	112.3	L85 K88	L85-D121 HydrophobicContact CD2-CB 4.29Å; K88-D121 IonicContact NZ-OD1 3.02Å; K88-D121 PolarHBondContact NZ-OD1 2.87Å; K88-D121 IonicContact NZ-OD2 2.7Å; K88-D121 PolarHBondContact NZ-OD2 2.74Å
122	T	91.9	Very high	93.2	Very high	90 Å²	90	42.5 Å²	42.5	55%	0.552	24%	0.239	S	C	*	.	S	Bend	trans	-136.5	155.9	167.9	61.3	0	0	0	0	109.6	L85 M120 S124	L85-T122 WeakPolarHBondContact CD1-O 3.2Å; L85-T122 WeakPolarHBondContact CD1-OG1 3.31Å; M120-T122 PolarHBondContact O-N 3.46Å; T122-S124 PolarHBondContact O-N 3.19Å
123	V	93.7	Very high	93.8	Very high	51 Å²	51	39.9 Å²	39.9	31%	0.309	22%	0.219	S	C	.	.			trans	-69.9	122.5	178.5	-178.1	0	0	0	0	109.4	A148 P259	V123-A148 HydrophobicContact CG1-CB 4Å; V123-P259 HydrophobicContact CB-CB 4.11Å; V123-P259 HydrophobicContact CB-CG 3.95Å; V123-P259 HydrophobicContact CG1-CB 3.86Å; V123-P259 HydrophobicContact CG1-CG 4.26Å; V123-P259 HydrophobicContact CG2-CB 4.36Å; V123-P259 HydrophobicContact CG2-CG 4.18Å
124	S	92.8	Very high	93.9	Very high	26 Å²	26	38.2 Å²	38.2	18%	0.182	21%	0.214	C	C	.	.			trans	-135.8	117.2	178.1	174.8	0	0	0	0	111.3	T122 A127 T128	T122-S124 PolarHBondContact O-N 3.19Å; S124-A127 WeakPolarHBondContact OG-CB 3.17Å; S124-A127 PolarHBondContact OG-N 3.25Å; S124-T128 VanDerWaalsContact O-CB 3.31Å; S124-T128 WeakPolarHBondContact O-CB 3.29Å; S124-T128 PolarHBondContact O-N 3.23Å; S124-T128 PolarHBondContact O-OG1 3.34Å
125	V	93.6	Very high	94.1	Very high	55 Å²	55	34.4 Å²	34.4	33%	0.333	20%	0.196	S	C	.	.	H	α-helix	trans	-57.7	-50.6	175	174.1	0	0	0	0	110.3	A127 T128 I129 A148 E150 I153	V125-A127 PolarHBondContact O-N 2.86Å; V125-T128 PolarHBondContact O-N 2.94Å; V125-I129 HydrophobicContact CG1-CD1 3.88Å; V125-I129 WeakPolarHBondContact O-CG1 3.38Å; V125-I129 PolarHBondContact O-N 2.9Å; V125-A148 HydrophobicContact CB-CB 4.44Å; V125-A148 HydrophobicContact CG2-CB 4.08Å; V125-E150 HydrophobicContact CG2-CB 4.43Å; V125-E150 HydrophobicContact CG2-CG 3.85Å; V125-I153 HydrophobicContact CG1-CD1 4.04Å
126	G	90.6	Very high	94.1	Very high	28 Å²	28	33.5 Å²	33.5	29%	0.289	19%	0.187	S	C	.	.	H	α-helix	trans	-62.4	-45.5	-177.8	0	0	0	0	0	112.5	H86 I129 N130	H86-G126 PolarHBondContact CE1-O 2.85Å; G126-I129 PolarHBondContact O-N 2.89Å; G126-N130 WeakPolarHBondContact O-CB 3.3Å; G126-N130 PolarHBondContact O-N 3.47Å
127	A	90.8	Very high	93.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.5	-39.8	179.8	0	0	0	0	0	111.2	L85 H86 M120 S124 V125 N130 T131	L85-A127 HydrophobicContact CB-CB 3.74Å; H86-A127 PolarHBondContact CE1-N 3.42Å; M120-A127 HydrophobicContact CE-CB 4.17Å; M120-A127 HydrophobicContact SD-CB 4.16Å; S124-A127 WeakPolarHBondContact OG-CB 3.17Å; S124-A127 PolarHBondContact OG-N 3.25Å; V125-A127 PolarHBondContact O-N 2.86Å; A127-N130 PolarHBondContact O-N 2.84Å; A127-T131 VanDerWaalsContact O-CB 3.28Å; A127-T131 WeakPolarHBondContact O-CB 3.43Å; A127-T131 PolarHBondContact O-N 3.02Å; A127-T131 PolarHBondContact O-OG1 3.26Å
128	T	95.9	Very high	93.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.8	-50.3	176.3	-57.3	0	0	0	0	111.2	S124 V125 T131 M132 A147 A148 I153 I175	S124-T128 VanDerWaalsContact O-CB 3.31Å; S124-T128 WeakPolarHBondContact O-CB 3.29Å; S124-T128 PolarHBondContact O-N 3.23Å; S124-T128 PolarHBondContact O-OG1 3.34Å; V125-T128 PolarHBondContact O-N 2.94Å; T128-T131 PolarHBondContact O-N 2.81Å; T128-M132 VanDerWaalsContact O-CB 3.25Å; T128-M132 WeakPolarHBondContact O-CB 3.16Å; T128-M132 PolarHBondContact O-N 2.88Å; T128-A147 HydrophobicContact CG2-CB 4Å; T128-A148 HydrophobicContact CG2-CB 4.14Å; T128-A148 WeakPolarHBondContact OG1-CB 3.46Å; T128-A148 PolarHBondContact OG1-N 3.03Å; T128-I153 HydrophobicContact CG2-CD1 4.11Å; T128-I153 HydrophobicContact CG2-CG2 4.11Å; T128-I175 HydrophobicContact CG2-CD1 3.78Å
129	I	95	Very high	93.2	Very high	24 Å²	24	35.3 Å²	35.3	12%	0.123	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-49.4	178.7	-67.8	174.7	0	0	0	110.8	V125 G126 T131 M132 L133 I153 V156	V125-I129 HydrophobicContact CG1-CD1 3.88Å; V125-I129 WeakPolarHBondContact O-CG1 3.38Å; V125-I129 PolarHBondContact O-N 2.9Å; G126-I129 PolarHBondContact O-N 2.89Å; I129-T131 VanDerWaalsContact C-N 3.34Å; I129-T131 PolarHBondContact O-N 3Å; I129-M132 PolarHBondContact O-N 2.93Å; I129-L133 HydrophobicContact CG2-CD1 3.74Å; I129-L133 HydrophobicContact CG2-CG 4.26Å; I129-L133 WeakPolarHBondContact O-CB 3.26Å; I129-L133 VanDerWaalsContact O-CG 3.3Å; I129-L133 WeakPolarHBondContact O-CG 3.42Å; I129-L133 PolarHBondContact O-N 3.15Å; I129-I153 HydrophobicContact CD1-CD1 3.84Å; I129-I153 HydrophobicContact CG1-CD1 3.33Å; I129-V156 HydrophobicContact CD1-CG2 4.19Å; I129-V156 HydrophobicContact CG1-CG2 4.3Å; I129-V156 HydrophobicContact CG2-CG1 4.49Å
130	N	91	Very high	93.2	Very high	26 Å²	26	31.3 Å²	31.3	14%	0.139	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-41.2	-176.8	-81	10.8	0	0	0	112.2	H86 F90 G126 A127 L133 A134	H86-N130 PolarHBondContact ND1-ND2 2.84Å; F90-N130 HydrophobicContact CE1-CB 4.38Å; F90-N130 HydrophobicContact CZ-CB 3.85Å; G126-N130 WeakPolarHBondContact O-CB 3.3Å; G126-N130 PolarHBondContact O-N 3.47Å; A127-N130 PolarHBondContact O-N 2.84Å; N130-L133 PolarHBondContact O-N 3.28Å; N130-A134 PolarHBondContact O-N 2.85Å
131	T	93.6	Very high	93.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.5	-44.1	176.6	-52.3	0	0	0	0	110.6	A89 M93 I118 M120 A127 T128 I129 L133 A134 A135 T142 I144	A89-T131 HydrophobicContact CB-CG2 4Å; A89-T131 WeakPolarHBondContact CB-OG1 3.19Å; M93-T131 HydrophobicContact SD-CG2 4.14Å; I118-T131 HydrophobicContact CD1-CG2 3.52Å; M120-T131 HydrophobicContact CE-CG2 4.49Å; M120-T131 WeakPolarHBondContact CE-OG1 3.43Å; A127-T131 VanDerWaalsContact O-CB 3.28Å; A127-T131 WeakPolarHBondContact O-CB 3.43Å; A127-T131 PolarHBondContact O-N 3.02Å; A127-T131 PolarHBondContact O-OG1 3.26Å; T128-T131 PolarHBondContact O-N 2.81Å; I129-T131 VanDerWaalsContact C-N 3.34Å; I129-T131 PolarHBondContact O-N 3Å; T131-L133 VanDerWaalsContact C-N 3.35Å; T131-L133 PolarHBondContact O-N 2.83Å; T131-A134 PolarHBondContact O-N 3.36Å; T131-A135 VanDerWaalsContact O-CB 3.27Å; T131-A135 WeakPolarHBondContact O-CB 3.38Å; T131-A135 PolarHBondContact O-N 2.81Å; T131-T142 HydrophobicContact CG2-CG2 4.43Å; T131-I144 HydrophobicContact CG2-CD1 3.67Å; T131-I144 HydrophobicContact CG2-CG1 3.86Å
132	M	95.2	Very high	93.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.4	-42.4	177.6	-176.4	170.3	59.8	0	0	111.9	T128 I129 A135 T136 I144 I153 V156 A157 L160 I167 I175 I177	T128-M132 VanDerWaalsContact O-CB 3.25Å; T128-M132 WeakPolarHBondContact O-CB 3.16Å; T128-M132 PolarHBondContact O-N 2.88Å; I129-M132 PolarHBondContact O-N 2.93Å; M132-A135 PolarHBondContact O-N 2.91Å; M132-T136 VanDerWaalsContact O-CG2 3.31Å; M132-T136 WeakPolarHBondContact O-CG2 3.45Å; M132-T136 PolarHBondContact O-N 2.93Å; M132-I144 HydrophobicContact CB-CD1 4.29Å; M132-I153 HydrophobicContact CE-CG2 4.22Å; M132-V156 HydrophobicContact CE-CB 3.66Å; M132-V156 HydrophobicContact CE-CG1 3.46Å; M132-V156 VanDerWaalsContact CE-CG1 3.46Å; M132-A157 HydrophobicContact CE-CB 4.39Å; M132-A157 HydrophobicContact SD-CB 3.93Å; M132-L160 HydrophobicContact CE-CD1 4.48Å; M132-L160 HydrophobicContact CG-CD1 4.27Å; M132-I167 HydrophobicContact CG-CD1 3.93Å; M132-I167 HydrophobicContact CG-CG2 4.49Å; M132-I167 HydrophobicContact SD-CD1 4.12Å; M132-I167 HydrophobicContact SD-CG2 3.93Å; M132-I175 HydrophobicContact SD-CG2 4.39Å; M132-I177 HydrophobicContact CG-CG1 4.31Å
133	L	93.3	Very high	94	Very high	20 Å²	20	31.2 Å²	31.2	11%	0.105	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-44.2	175.7	-72.2	170.2	0	0	0	112.3	K13 L16 I129 N130 T131 A135 T136 V156 L160	K13-L133 HydrophobicContact CB-CD2 4.26Å; K13-L133 HydrophobicContact CG-CD2 4.09Å; L16-L133 HydrophobicContact CD1-CB 4.2Å; L16-L133 HydrophobicContact CD1-CD2 3.65Å; I129-L133 HydrophobicContact CG2-CD1 3.74Å; I129-L133 HydrophobicContact CG2-CG 4.26Å; I129-L133 WeakPolarHBondContact O-CB 3.26Å; I129-L133 VanDerWaalsContact O-CG 3.3Å; I129-L133 WeakPolarHBondContact O-CG 3.42Å; I129-L133 PolarHBondContact O-N 3.15Å; N130-L133 PolarHBondContact O-N 3.28Å; T131-L133 VanDerWaalsContact C-N 3.35Å; T131-L133 PolarHBondContact O-N 2.83Å; L133-A135 VanDerWaalsContact C-N 3.28Å; L133-A135 PolarHBondContact O-N 3.27Å; L133-T136 PolarHBondContact O-OG1 3.19Å; L133-V156 HydrophobicContact CD2-CG1 4.46Å; L133-L160 HydrophobicContact CD2-CD1 3.85Å; L133-L160 HydrophobicContact CD2-CD2 3.95Å; L133-L160 HydrophobicContact CD2-CG 4.4Å
134	A	90.3	Very high	94.3	Very high	23 Å²	23	28.8 Å²	28.8	19%	0.19	16%	0.162	C	C	.	.	H	α-helix	trans	-65.3	-34.1	177	0	0	0	0	0	112.1	F90 M93 N130 T131 T136	F90-A134 HydrophobicContact CD1-CB 4.17Å; F90-A134 HydrophobicContact CE1-CB 3.75Å; M93-A134 HydrophobicContact CE-CB 4.13Å; M93-A134 HydrophobicContact SD-CB 4.15Å; N130-A134 PolarHBondContact O-N 2.85Å; T131-A134 PolarHBondContact O-N 3.36Å; A134-T136 VanDerWaalsContact C-N 3.34Å; A134-T136 PolarHBondContact O-N 2.9Å
135	A	95.1	Very high	94.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-71.7	-23.7	-177.3	0	0	0	0	0	114	M93 T131 M132 L133 K137 A138 T142 I177 G179	M93-A135 HydrophobicContact CE-CB 3.84Å; T131-A135 VanDerWaalsContact O-CB 3.27Å; T131-A135 WeakPolarHBondContact O-CB 3.38Å; T131-A135 PolarHBondContact O-N 2.81Å; M132-A135 PolarHBondContact O-N 2.91Å; L133-A135 VanDerWaalsContact C-N 3.28Å; L133-A135 PolarHBondContact O-N 3.27Å; A135-K137 VanDerWaalsContact C-N 3.27Å; A135-K137 PolarHBondContact O-N 2.72Å; A135-A138 PolarHBondContact O-N 3.22Å; A135-T142 HydrophobicContact CB-CG2 3.95Å; A135-T142 WeakPolarHBondContact CB-OG1 3.43Å; A135-I177 HydrophobicContact CB-CB 3.86Å; A135-I177 HydrophobicContact CB-CD1 4.22Å; A135-I177 HydrophobicContact CB-CG1 4.15Å; A135-I177 HydrophobicContact CB-CG2 3.81Å; A135-G179 WeakPolarHBondContact O-CA 3.44Å
136	T	95.3	Very high	94.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.5	-174.8	59.4	0	0	0	0	113.8	M132 L133 A134 L160 A165 I167 G179 V180	M132-T136 VanDerWaalsContact O-CG2 3.31Å; M132-T136 WeakPolarHBondContact O-CG2 3.45Å; M132-T136 PolarHBondContact O-N 2.93Å; L133-T136 PolarHBondContact O-OG1 3.19Å; A134-T136 VanDerWaalsContact C-N 3.34Å; A134-T136 PolarHBondContact O-N 2.9Å; T136-L160 HydrophobicContact CG2-CB 4.44Å; T136-L160 HydrophobicContact CG2-CD1 3.87Å; T136-L160 HydrophobicContact CG2-CD2 4.18Å; T136-L160 HydrophobicContact CG2-CG 4.39Å; T136-A165 HydrophobicContact CG2-CB 4.02Å; T136-I167 HydrophobicContact CG2-CD1 4Å; T136-G179 CarbonylContact O-C 3.57Å; T136-G179 WeakPolarHBondContact O-CA 3.44Å; T136-V180 WeakPolarHBondContact O-CG2 3.2Å; T136-V180 PolarHBondContact O-N 3.38Å
137	K	90.2	Very high	95.1	Very high	79 Å²	79	28.9 Å²	28.9	34%	0.343	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	18	175.4	-58.8	-171.9	72.8	158.1	0	113.1	D18 A135 V180 D181 L183	D18-K137 IonicContact OD1-NZ 2.66Å; D18-K137 IonicContact OD2-NZ 2.72Å; D18-K137 PolarHBondContact OD2-NZ 2.58Å; A135-K137 VanDerWaalsContact C-N 3.27Å; A135-K137 PolarHBondContact O-N 2.72Å; K137-V180 WeakPolarHBondContact CA-O 3.4Å; K137-D181 VanDerWaalsContact CE-O 3.23Å; K137-D181 WeakPolarHBondContact CE-O 3.31Å; K137-D181 PolarHBondContact NZ-O 3.02Å; K137-L183 HydrophobicContact CD-CD1 4.4Å; K137-L183 HydrophobicContact CG-CD1 4.2Å
138	A	92	Very high	95.4	Very high	3 Å²	3	28.9 Å²	28.9	3%	0.025	15%	0.151	C	C	.	.	S	Bend	trans	-80.1	153.2	177.6	0	0	0	0	0	111.5	M93 I113 A135 G140 G179	M93-A138 HydrophobicContact CE-CB 3.88Å; I113-A138 HydrophobicContact CB-CB 4.39Å; I113-A138 HydrophobicContact CG2-CB 3.85Å; I113-A138 CarbonylContact O-C 3.4Å; I113-A138 WeakPolarHBondContact O-CA 3.49Å; A135-A138 PolarHBondContact O-N 3.22Å; A138-G140 PolarHBondContact O-N 3.01Å; A138-G140 VanDerWaalsContact O-N 3.13Å; A138-G179 VanDerWaalsContact O-CA 3.28Å; A138-G179 WeakPolarHBondContact O-CA 3.49Å
139	N	93.8	Very high	95.5	Very high	94 Å²	94	33.4 Å²	33.4	50%	0.503	17%	0.168	S	C	.	.	B	Isolated β-bridge	trans	-73.3	106.2	173.7	-75.5	-19.3	0	0	0	110.7	S112 I113 H114 G115	S112-N139 VanDerWaalsContact CB-ND2 3.28Å; S112-N139 WeakPolarHBondContact CB-ND2 3.37Å; I113-N139 PolarHBondContact O-N 3.32Å; H114-N139 WeakPolarHBondContact CA-O 3.3Å; G115-N139 PolarHBondContact N-O 3.44Å
140	G	96.7	Very high	95.6	Very high	41 Å²	41	33.2 Å²	33.2	42%	0.423	17%	0.166	S	C	.	.	S	Bend	trans	97.5	-160.2	173.7	0	0	0	0	0	114.5	A138 G179	A138-G140 PolarHBondContact O-N 3.01Å; A138-G140 VanDerWaalsContact O-N 3.13Å; G140-G179 PolarHBondContact O-N 3.02Å; G140-G179 VanDerWaalsContact O-N 3.08Å
141	R	98.5	Very high	96	Very high	143 Å²	143	32 Å²	32	54%	0.54	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131.9	-173	-174.5	-179	-68.9	-177.1	-3.6	112.1	G115 A116 I143 T176 I177 E178	G115-R141 CarbonylContact C-O 3.58Å; G115-R141 VanDerWaalsContact C-O 3.31Å; G115-R141 WeakPolarHBondContact CA-O 3.21Å; A116-R141 PolarHBondContact N-O 3.36Å; R141-I143 HydrophobicContact CG-CG1 4.2Å; R141-T176 HydrophobicContact CG-CG2 3.85Å; R141-I177 CarbonylContact C-O 3.59Å; R141-I177 WeakPolarHBondContact CA-O 3.49Å; R141-E178 WeakPolarHBondContact CB-OE2 3.48Å; R141-E178 IonicContact CZ-OE1 3.28Å; R141-E178 IonicContact NE-OE1 3.62Å; R141-E178 PolarHBondContact NE-OE1 2.96Å; R141-E178 IonicContact NE-OE2 3.99Å; R141-E178 IonicContact NH2-OE1 3.81Å; R141-E178 PolarHBondContact NH2-OE1 3.17Å
142	T	98.6	Very high	96.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	136	165.8	-55.1	0	0	0	0	110.6	G115 A116 I118 T131 A135 I144 T176 I177	G115-T142 WeakPolarHBondContact CA-OG1 3.38Å; A116-T142 CarbonylContact O-C 3.52Å; A116-T142 VanDerWaalsContact O-CA 3.23Å; A116-T142 WeakPolarHBondContact O-CA 3.37Å; A116-T142 WeakPolarHBondContact O-CG2 3.25Å; I118-T142 HydrophobicContact CD1-CG2 4.12Å; T131-T142 HydrophobicContact CG2-CG2 4.43Å; A135-T142 HydrophobicContact CB-CG2 3.95Å; A135-T142 WeakPolarHBondContact CB-OG1 3.43Å; T142-I144 HydrophobicContact CG2-CG1 4.24Å; T142-T176 WeakPolarHBondContact O-CA 3.16Å; T142-I177 HydrophobicContact CG2-CD1 4.45Å; T142-I177 PolarHBondContact N-O 3.33Å; T142-I177 PolarHBondContact O-N 3.08Å
143	I	98.7	Very high	96.3	Very high	42 Å²	42	33.9 Å²	33.9	22%	0.215	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.9	172.4	-58.2	174.8	0	0	0	107.6	A116 I118 R141 E145 V174 I175 T176	A116-I143 PolarHBondContact O-N 3.42Å; I118-I143 PolarHBondContact N-O 3.2Å; R141-I143 HydrophobicContact CG-CG1 4.2Å; I143-E145 HydrophobicContact CG2-CG 4.2Å; I143-V174 HydrophobicContact CG2-CG1 3.81Å; I143-I175 CarbonylContact C-O 3.54Å; I143-I175 WeakPolarHBondContact CA-O 3.41Å; I143-T176 HydrophobicContact CG1-CG2 4.31Å
144	I	98.6	Very high	96.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	110.7	175.1	-49.2	172.9	0	0	0	107.3	I118 M120 T131 M132 T142 A147 V174 I175 I177	I118-I144 WeakPolarHBondContact O-CA 3.5Å; M120-I144 HydrophobicContact CE-CG2 3.76Å; M120-I144 HydrophobicContact CG-CG2 4.01Å; T131-I144 HydrophobicContact CG2-CD1 3.67Å; T131-I144 HydrophobicContact CG2-CG1 3.86Å; M132-I144 HydrophobicContact CB-CD1 4.29Å; T142-I144 HydrophobicContact CG2-CG1 4.24Å; I144-A147 HydrophobicContact CB-CB 4.46Å; I144-A147 HydrophobicContact CG2-CB 4Å; I144-V174 VanDerWaalsContact O-CA 3.31Å; I144-V174 WeakPolarHBondContact O-CA 3.28Å; I144-I175 HydrophobicContact CB-CB 4.38Å; I144-I175 PolarHBondContact N-O 3.14Å; I144-I175 PolarHBondContact O-N 3.19Å; I144-I177 HydrophobicContact CD1-CD1 3.81Å; I144-I177 HydrophobicContact CG1-CD1 4.08Å
145	E	98.3	Very high	96.9	Very high	64 Å²	64	35.6 Å²	35.6	30%	0.299	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	149.3	173.5	-69.9	-174.4	175.8	0	0	111.4	H117 I118 Y119 M120 I143 A147 D173 V174	H117-E145 IonicContact CD2-OE1 3.45Å; H117-E145 IonicContact CE1-OE1 3.49Å; H117-E145 PolarHBondContact CE1-OE1 2.98Å; H117-E145 VanDerWaalsContact CE1-OE1 3.28Å; H117-E145 IonicContact NE2-OE1 2.71Å; H117-E145 PolarHBondContact NE2-OE1 3.02Å; H117-E145 IonicContact NE2-OE2 2.65Å; I118-E145 PolarHBondContact O-N 3.01Å; Y119-E145 HydrophobicContact CD2-CB 3.79Å; Y119-E145 HydrophobicContact CE2-CB 4.49Å; M120-E145 WeakPolarHBondContact CB-O 3.33Å; M120-E145 PolarHBondContact N-O 3.34Å; I143-E145 HydrophobicContact CG2-CG 4.2Å; E145-A147 PolarHBondContact O-N 2.84Å; E145-D173 CarbonylContact C-O 3.52Å; E145-V174 HydrophobicContact CG-CG1 4.42Å; E145-V174 HydrophobicContact CG-CG2 4.27Å
146	N	97.5	Very high	96.9	Very high	46 Å²	46	35.7 Å²	35.7	25%	0.246	18%	0.175	C	C	.	.	S	Bend	trans	57.2	39.2	-171.2	-165.3	33.9	0	0	0	111.8	Y119 M120 D173	Y119-N146 HydrophobicContact CE2-CB 4.15Å; M120-N146 HydrophobicContact CB-CB 4.31Å; M120-N146 PolarHBondContact O-ND2 3.4Å; N146-D173 WeakPolarHBondContact CA-O 3.32Å; N146-D173 PolarHBondContact N-O 2.97Å
147	A	97.9	Very high	97	Very high	2 Å²	2	35.9 Å²	35.9	2%	0.017	18%	0.176	C	C	.	.			trans	-66.8	152.1	-179.8	0	0	0	0	0	111.9	T128 I144 E145 D173 I175	T128-A147 HydrophobicContact CG2-CB 4Å; I144-A147 HydrophobicContact CB-CB 4.46Å; I144-A147 HydrophobicContact CG2-CB 4Å; E145-A147 PolarHBondContact O-N 2.84Å; A147-D173 PolarHBondContact N-O 3.27Å; A147-I175 HydrophobicContact CB-CD1 3.8Å; A147-I175 HydrophobicContact CB-CG1 3.77Å
148	A	97.3	Very high	97.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.177	C	C	.	.			trans	-62.5	142.1	167	0	0	0	0	0	110.7	V123 V125 T128 E150 I153	V123-A148 HydrophobicContact CG1-CB 4Å; V125-A148 HydrophobicContact CB-CB 4.44Å; V125-A148 HydrophobicContact CG2-CB 4.08Å; T128-A148 HydrophobicContact CG2-CB 4.14Å; T128-A148 WeakPolarHBondContact OG1-CB 3.46Å; T128-A148 PolarHBondContact OG1-N 3.03Å; A148-E150 WeakPolarHBondContact CB-OE2 3.38Å; A148-I153 HydrophobicContact CB-CD1 4.06Å; A148-I153 HydrophobicContact CB-CG1 4Å
149	R	98.4	Very high	97.7	Very high	94 Å²	94	34.8 Å²	34.8	36%	0.355	18%	0.176	S	C	.	.			trans	-114.9	-0	-170.7	-68.1	174.8	62.4	-160.9	-3.8	113.3	G171 T172 Y260	R149-G171 PolarHBondContact NE-O 3.2Å; R149-T172 WeakPolarHBondContact CG-O 3.5Å; R149-Y260 HydrophobicContact CB-CD1 4.13Å; R149-Y260 WeakPolarHBondContact O-CD1 3.46Å
150	E	98	Very high	97.8	Very high	20 Å²	20	30.3 Å²	30.3	9%	0.093	15%	0.152	C	C	.	.			trans	-52.2	145.5	-177.1	-79.7	68.6	-163.7	0	0	111.7	V125 A148 E152 I153 I154 Y260	V125-E150 HydrophobicContact CG2-CB 4.43Å; V125-E150 HydrophobicContact CG2-CG 3.85Å; A148-E150 WeakPolarHBondContact CB-OE2 3.38Å; E150-E152 WeakPolarHBondContact CB-OE2 3.34Å; E150-E152 PolarHBondContact O-N 3.46Å; E150-I153 HydrophobicContact CB-CG1 4.16Å; E150-I153 WeakPolarHBondContact O-CA 3.11Å; E150-I153 VanDerWaalsContact O-CB 3.23Å; E150-I153 WeakPolarHBondContact O-CB 3.46Å; E150-I153 WeakPolarHBondContact O-CG1 3.42Å; E150-I153 PolarHBondContact O-N 2.94Å; E150-I154 PolarHBondContact O-N 3.34Å; E150-Y260 WeakPolarHBondContact OE1-CB 3.4Å; E150-Y260 PolarHBondContact OE1-N 3.47Å
151	P	98.3	Very high	97.9	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.013	15%	0.145	C	C	.	.	H	α-helix	trans	-52.3	-32.6	176.6	-29.7	37.3	0	0	0	113.7	I153 I154 D155 I191 H220 Y260	P151-I153 PolarHBondContact O-N 3.14Å; P151-I154 WeakPolarHBondContact O-CB 3.47Å; P151-I154 PolarHBondContact O-N 3.45Å; P151-I154 VanDerWaalsContact O-N 3.13Å; P151-D155 PolarHBondContact O-N 3.26Å; P151-I191 HydrophobicContact CB-CD1 3.89Å; P151-H220 HydrophobicContact CB-CB 4.44Å; P151-H220 HydrophobicContact CG-CB 3.88Å; P151-Y260 HydrophobicContact CG-CD2 4.39Å; P151-Y260 HydrophobicContact CG-CE1 4.4Å; P151-Y260 HydrophobicContact CG-CE2 3.92Å
152	E	97.5	Very high	97.8	Very high	39 Å²	39	27.6 Å²	27.6	18%	0.182	14%	0.139	C	C	.	.	H	α-helix	trans	-62.3	-30.5	175.7	-63.5	77.9	-152	0	0	112.6	E150 V156 I191 R194	E150-E152 WeakPolarHBondContact CB-OE2 3.34Å; E150-E152 PolarHBondContact O-N 3.46Å; E152-V156 WeakPolarHBondContact O-CG2 3.3Å; E152-V156 PolarHBondContact O-N 3.06Å; E152-V156 VanDerWaalsContact O-N 3.09Å; E152-I191 HydrophobicContact CG-CD1 4.48Å; E152-R194 IonicContact OE1-CZ 2.69Å; E152-R194 IonicContact OE1-NE 2.74Å; E152-R194 PolarHBondContact OE1-NE 3.02Å; E152-R194 IonicContact OE1-NH2 2.84Å; E152-R194 IonicContact OE2-CZ 3.83Å; E152-R194 IonicContact OE2-NE 2.81Å; E152-R194 PolarHBondContact OE2-NE 3.24Å; E152-R194 IonicContact OE2-NH2 2.77Å; E152-R194 PolarHBondContact OE2-NH2 2.77Å
153	I	97.4	Very high	97.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-67.6	-44.4	173.4	-53.9	-61.4	0	0	0	110.4	V125 T128 I129 M132 A148 E150 P151 D155 V156 A157 I175	V125-I153 HydrophobicContact CG1-CD1 4.04Å; T128-I153 HydrophobicContact CG2-CD1 4.11Å; T128-I153 HydrophobicContact CG2-CG2 4.11Å; I129-I153 HydrophobicContact CD1-CD1 3.84Å; I129-I153 HydrophobicContact CG1-CD1 3.33Å; M132-I153 HydrophobicContact CE-CG2 4.22Å; A148-I153 HydrophobicContact CB-CD1 4.06Å; A148-I153 HydrophobicContact CB-CG1 4Å; E150-I153 HydrophobicContact CB-CG1 4.16Å; E150-I153 WeakPolarHBondContact O-CA 3.11Å; E150-I153 VanDerWaalsContact O-CB 3.23Å; E150-I153 WeakPolarHBondContact O-CB 3.46Å; E150-I153 WeakPolarHBondContact O-CG1 3.42Å; E150-I153 PolarHBondContact O-N 2.94Å; P151-I153 PolarHBondContact O-N 3.14Å; I153-D155 VanDerWaalsContact C-N 3.33Å; I153-V156 PolarHBondContact O-N 3.18Å; I153-A157 WeakPolarHBondContact O-CB 3.48Å; I153-A157 PolarHBondContact O-N 2.84Å; I153-I175 HydrophobicContact CG2-CD1 3.75Å
154	I	98.3	Very high	97.7	Very high	63 Å²	63	26.9 Å²	26.9	32%	0.323	14%	0.141	S	C	.	.	H	α-helix	trans	-62.5	-43.5	178.6	-61	161.5	0	0	0	110	E150 P151 A157 T158 A170	E150-I154 PolarHBondContact O-N 3.34Å; P151-I154 WeakPolarHBondContact O-CB 3.47Å; P151-I154 PolarHBondContact O-N 3.45Å; P151-I154 VanDerWaalsContact O-N 3.13Å; I154-A157 PolarHBondContact O-N 3.46Å; I154-T158 WeakPolarHBondContact O-CB 3.45Å; I154-T158 PolarHBondContact O-N 2.99Å; I154-T158 PolarHBondContact O-OG1 2.99Å; I154-A170 HydrophobicContact CG1-CB 4.42Å
155	D	98	Very high	97.7	Very high	15 Å²	15	27.1 Å²	27.1	8%	0.08	14%	0.143	C	C	.	.	H	α-helix	trans	-61.2	-45	176.6	-179.5	61.8	0	0	0	112.1	K13 P151 I153 A157 T158 L159 H188 I191	K13-D155 IonicContact NZ-OD2 3.06Å; P151-D155 PolarHBondContact O-N 3.26Å; I153-D155 VanDerWaalsContact C-N 3.33Å; D155-A157 PolarHBondContact O-N 2.89Å; D155-T158 PolarHBondContact O-N 2.98Å; D155-L159 PolarHBondContact O-N 3.05Å; D155-H188 IonicContact OD1-CD2 3.59Å; D155-H188 IonicContact OD1-CE1 3.35Å; D155-H188 PolarHBondContact OD1-CE1 2.86Å; D155-H188 IonicContact OD1-NE2 3.59Å; D155-H188 PolarHBondContact OD1-NE2 3.04Å; D155-H188 IonicContact OD2-NE2 2.63Å; D155-I191 HydrophobicContact CB-CD1 3.98Å; D155-I191 HydrophobicContact CB-CG1 3.99Å; D155-I191 HydrophobicContact CB-CG2 4.01Å
156	V	96.1	Very high	97.7	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.018	15%	0.153	C	C	.	.	H	α-helix	trans	-59.8	-47.7	174.3	-177.3	0	0	0	0	111.1	K13 I129 M132 L133 E152 I153 T158 L159 L160	K13-V156 HydrophobicContact CD-CG1 3.99Å; K13-V156 HydrophobicContact CD-CG2 4.4Å; K13-V156 VanDerWaalsContact CE-CG2 3.42Å; I129-V156 HydrophobicContact CD1-CG2 4.19Å; I129-V156 HydrophobicContact CG1-CG2 4.3Å; I129-V156 HydrophobicContact CG2-CG1 4.49Å; M132-V156 HydrophobicContact CE-CB 3.66Å; M132-V156 HydrophobicContact CE-CG1 3.46Å; M132-V156 VanDerWaalsContact CE-CG1 3.46Å; L133-V156 HydrophobicContact CD2-CG1 4.46Å; E152-V156 WeakPolarHBondContact O-CG2 3.3Å; E152-V156 PolarHBondContact O-N 3.06Å; E152-V156 VanDerWaalsContact O-N 3.09Å; I153-V156 PolarHBondContact O-N 3.18Å; V156-T158 VanDerWaalsContact C-N 3.28Å; V156-T158 PolarHBondContact O-N 2.69Å; V156-L159 PolarHBondContact O-N 3.32Å; V156-L160 HydrophobicContact CG1-CD1 3.79Å; V156-L160 HydrophobicContact CG1-CG 4.37Å; V156-L160 WeakPolarHBondContact O-CB 3.25Å; V156-L160 VanDerWaalsContact O-CG 3.29Å; V156-L160 WeakPolarHBondContact O-CG 3.48Å; V156-L160 PolarHBondContact O-N 3.02Å
157	A	97.8	Very high	97.7	Very high	3 Å²	3	27.2 Å²	27.2	3%	0.025	14%	0.142	C	C	.	.	H	α-helix	trans	-62.6	-37.1	179.4	0	0	0	0	0	112	M132 I153 I154 D155 L160 N161 I167 A170	M132-A157 HydrophobicContact CE-CB 4.39Å; M132-A157 HydrophobicContact SD-CB 3.93Å; I153-A157 WeakPolarHBondContact O-CB 3.48Å; I153-A157 PolarHBondContact O-N 2.84Å; I154-A157 PolarHBondContact O-N 3.46Å; D155-A157 PolarHBondContact O-N 2.89Å; A157-L160 PolarHBondContact O-N 3.4Å; A157-N161 WeakPolarHBondContact O-CB 3.41Å; A157-N161 VanDerWaalsContact O-CG 3.31Å; A157-N161 PolarHBondContact O-N 2.91Å; A157-N161 PolarHBondContact O-ND2 2.98Å; A157-I167 HydrophobicContact CB-CB 4.48Å; A157-I167 HydrophobicContact CB-CD1 4.49Å; A157-I167 HydrophobicContact CB-CG2 3.85Å; A157-A170 HydrophobicContact CB-CB 3.46Å; A157-A170 VanDerWaalsContact CB-CB 3.46Å
158	T	98.2	Very high	97.8	Very high	58 Å²	58	35.9 Å²	35.9	36%	0.356	17%	0.174	S	C	.	.	H	α-helix	trans	-64.8	-49	177.6	-59.1	0	0	0	0	111.1	I154 D155 V156 L160 N161 N162	I154-T158 WeakPolarHBondContact O-CB 3.45Å; I154-T158 PolarHBondContact O-N 2.99Å; I154-T158 PolarHBondContact O-OG1 2.99Å; D155-T158 PolarHBondContact O-N 2.98Å; V156-T158 VanDerWaalsContact C-N 3.28Å; V156-T158 PolarHBondContact O-N 2.69Å; T158-L160 PolarHBondContact O-N 2.87Å; T158-N161 PolarHBondContact O-N 2.9Å; T158-N162 WeakPolarHBondContact O-CB 3.43Å; T158-N162 PolarHBondContact O-N 2.92Å; T158-N162 PolarHBondContact O-ND2 2.85Å
159	L	97.1	Very high	97.8	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-56.6	-50.1	174.2	168.9	61.5	0	0	0	111.4	K13 V21 L23 D155 V156 N161 N162 M163 T186 H188	K13-L159 HydrophobicContact CB-CD2 4.02Å; K13-L159 HydrophobicContact CD-CD2 3.55Å; K13-L159 HydrophobicContact CG-CD2 4.47Å; V21-L159 HydrophobicContact CG1-CD1 4.23Å; L23-L159 HydrophobicContact CD2-CD1 4.4Å; L23-L159 HydrophobicContact CD2-CD2 4.14Å; D155-L159 PolarHBondContact O-N 3.05Å; V156-L159 PolarHBondContact O-N 3.32Å; L159-N161 PolarHBondContact O-N 3.39Å; L159-N162 CarbonylContact O-C 3.46Å; L159-N162 WeakPolarHBondContact O-CB 3.42Å; L159-N162 PolarHBondContact O-N 3.49Å; L159-N162 VanDerWaalsContact O-N 3.12Å; L159-M163 HydrophobicContact CD1-CG 4.22Å; L159-M163 HydrophobicContact CD1-SD 3.89Å; L159-M163 HydrophobicContact CG-SD 3.94Å; L159-M163 WeakPolarHBondContact O-CG 3.23Å; L159-M163 PolarHBondContact O-N 3.48Å; L159-T186 HydrophobicContact CD1-CG2 3.51Å; L159-H188 HydrophobicContact CD1-CB 3.68Å
160	L	96.8	Very high	97.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.8	-40.9	-178.5	-70.4	169.5	0	0	0	112	L16 M132 L133 T136 V156 A157 T158 N162 M163 G164 A165 I167	L16-L160 HydrophobicContact CD1-CD2 4.14Å; M132-L160 HydrophobicContact CE-CD1 4.48Å; M132-L160 HydrophobicContact CG-CD1 4.27Å; L133-L160 HydrophobicContact CD2-CD1 3.85Å; L133-L160 HydrophobicContact CD2-CD2 3.95Å; L133-L160 HydrophobicContact CD2-CG 4.4Å; T136-L160 HydrophobicContact CG2-CB 4.44Å; T136-L160 HydrophobicContact CG2-CD1 3.87Å; T136-L160 HydrophobicContact CG2-CD2 4.18Å; T136-L160 HydrophobicContact CG2-CG 4.39Å; V156-L160 HydrophobicContact CG1-CD1 3.79Å; V156-L160 HydrophobicContact CG1-CG 4.37Å; V156-L160 WeakPolarHBondContact O-CB 3.25Å; V156-L160 VanDerWaalsContact O-CG 3.29Å; V156-L160 WeakPolarHBondContact O-CG 3.48Å; V156-L160 PolarHBondContact O-N 3.02Å; A157-L160 PolarHBondContact O-N 3.4Å; T158-L160 PolarHBondContact O-N 2.87Å; L160-N162 VanDerWaalsContact C-N 3.34Å; L160-M163 HydrophobicContact CD2-SD 4.38Å; L160-M163 CarbonylContact O-C 3.58Å; L160-M163 WeakPolarHBondContact O-CB 3.5Å; L160-M163 PolarHBondContact O-N 3.2Å; L160-M163 VanDerWaalsContact O-N 3.12Å; L160-G164 PolarHBondContact O-N 3.05Å; L160-A165 HydrophobicContact CB-CB 4.02Å; L160-A165 WeakPolarHBondContact O-CB 3.47Å; L160-A165 PolarHBondContact O-N 3.31Å; L160-I167 HydrophobicContact CB-CD1 3.49Å; L160-I167 VanDerWaalsContact CB-CD1 3.49Å; L160-I167 HydrophobicContact CD1-CD1 3.59Å; L160-I167 HydrophobicContact CG-CD1 4.2Å
161	N	98.2	Very high	97.7	Very high	51 Å²	51	34.1 Å²	34.1	27%	0.273	19%	0.188	S	C	.	.	H	α-helix	trans	-63.2	-39.5	173.5	-79	-25.5	0	0	0	111.8	A157 T158 L159 M163 G164 A165 I167	A157-N161 WeakPolarHBondContact O-CB 3.41Å; A157-N161 VanDerWaalsContact O-CG 3.31Å; A157-N161 PolarHBondContact O-N 2.91Å; A157-N161 PolarHBondContact O-ND2 2.98Å; T158-N161 PolarHBondContact O-N 2.9Å; L159-N161 PolarHBondContact O-N 3.39Å; N161-M163 PolarHBondContact O-N 3.23Å; N161-G164 PolarHBondContact O-N 2.9Å; N161-A165 PolarHBondContact OD1-O 2.7Å; N161-I167 PolarHBondContact ND2-O 3.36Å; N161-I167 WeakPolarHBondContact OD1-CB 3.47Å; N161-I167 PolarHBondContact OD1-N 3.02Å
162	N	97.8	Very high	97.7	Very high	76 Å²	76	37.1 Å²	37.1	41%	0.406	21%	0.206	S	C	.	.	H	α-helix	trans	-68.2	-15.4	174.4	-74.4	-18.2	0	0	0	113.4	T158 L159 L160 H184 T186	T158-N162 WeakPolarHBondContact O-CB 3.43Å; T158-N162 PolarHBondContact O-N 2.92Å; T158-N162 PolarHBondContact O-ND2 2.85Å; L159-N162 CarbonylContact O-C 3.46Å; L159-N162 WeakPolarHBondContact O-CB 3.42Å; L159-N162 PolarHBondContact O-N 3.49Å; L159-N162 VanDerWaalsContact O-N 3.12Å; L160-N162 VanDerWaalsContact C-N 3.34Å; N162-H184 PolarHBondContact O-CE1 3.23Å; N162-T186 HydrophobicContact CB-CG2 4.24Å; N162-T186 PolarHBondContact O-OG1 2.81Å
163	M	97.2	Very high	97.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-2.3	169.6	-65.2	167.5	52.5	0	0	112.6	A17 V21 L159 L160 N161 L183 H184 T186	A17-M163 HydrophobicContact CB-CE 3.49Å; A17-M163 VanDerWaalsContact CB-CE 3.49Å; V21-M163 HydrophobicContact CG2-CE 4.43Å; V21-M163 HydrophobicContact CG2-SD 4.33Å; L159-M163 HydrophobicContact CD1-CG 4.22Å; L159-M163 HydrophobicContact CD1-SD 3.89Å; L159-M163 HydrophobicContact CG-SD 3.94Å; L159-M163 WeakPolarHBondContact O-CG 3.23Å; L159-M163 PolarHBondContact O-N 3.48Å; L160-M163 HydrophobicContact CD2-SD 4.38Å; L160-M163 CarbonylContact O-C 3.58Å; L160-M163 WeakPolarHBondContact O-CB 3.5Å; L160-M163 PolarHBondContact O-N 3.2Å; L160-M163 VanDerWaalsContact O-N 3.12Å; N161-M163 PolarHBondContact O-N 3.23Å; M163-L183 HydrophobicContact CB-CB 4.24Å; M163-L183 HydrophobicContact CB-CD2 4.27Å; M163-L183 HydrophobicContact CE-CB 4.04Å; M163-L183 HydrophobicContact CE-CD1 4.26Å; M163-L183 CarbonylContact O-C 3.54Å; M163-L183 VanDerWaalsContact O-CA 3.23Å; M163-L183 WeakPolarHBondContact O-CA 3.32Å; M163-L183 WeakPolarHBondContact O-CD2 3.46Å; M163-H184 WeakPolarHBondContact CA-O 3.28Å; M163-H184 VanDerWaalsContact CB-O 3.29Å; M163-H184 WeakPolarHBondContact CB-O 3.49Å; M163-H184 WeakPolarHBondContact CG-O 3.18Å; M163-H184 PolarHBondContact O-CD2 2.88Å; M163-H184 VanDerWaalsContact O-CD2 3.29Å; M163-H184 PolarHBondContact O-N 2.98Å; M163-T186 HydrophobicContact CG-CG2 3.58Å
164	G	97.5	Very high	97.8	Very high	26 Å²	26	42.1 Å²	42.1	27%	0.268	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.8	6.2	179.1	0	0	0	0	0	115.6	L160 N161	L160-G164 PolarHBondContact O-N 3.05Å; N161-G164 PolarHBondContact O-N 2.9Å
165	A	97.7	Very high	97.8	Very high	5 Å²	5	39.1 Å²	39.1	4%	0.041	22%	0.22	C	C	.	.			trans	-69.5	165	173.2	0	0	0	0	0	111.9	T136 L160 N161 I167 L183	T136-A165 HydrophobicContact CG2-CB 4.02Å; L160-A165 HydrophobicContact CB-CB 4.02Å; L160-A165 WeakPolarHBondContact O-CB 3.47Å; L160-A165 PolarHBondContact O-N 3.31Å; N161-A165 PolarHBondContact OD1-O 2.7Å; A165-I167 HydrophobicContact CB-CD1 4.1Å; A165-I167 HydrophobicContact CB-CG1 4.18Å; A165-L183 HydrophobicContact CB-CD2 3.81Å; A165-L183 VanDerWaalsContact N-CD2 3.29Å
166	H	98.4	Very high	97.8	Very high	109 Å²	109	40.3 Å²	40.3	51%	0.505	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	79	175.3	-70.1	-61.8	0	0	0	111.2	I177 E178 V180	H166-I177 WeakPolarHBondContact O-CA 3.23Å; H166-E178 HydrophobicContact CB-CB 3.88Å; H166-E178 PolarHBondContact O-N 2.84Å; H166-V180 VanDerWaalsContact CD2-CG1 3.42Å; H166-V180 WeakPolarHBondContact CD2-CG1 3.5Å
167	I	98.6	Very high	98	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.015	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.5	-178.9	-56.2	165.6	0	0	0	110.1	M132 T136 A157 L160 N161 A165 I175 T176 I177	M132-I167 HydrophobicContact CG-CD1 3.93Å; M132-I167 HydrophobicContact CG-CG2 4.49Å; M132-I167 HydrophobicContact SD-CD1 4.12Å; M132-I167 HydrophobicContact SD-CG2 3.93Å; T136-I167 HydrophobicContact CG2-CD1 4Å; A157-I167 HydrophobicContact CB-CB 4.48Å; A157-I167 HydrophobicContact CB-CD1 4.49Å; A157-I167 HydrophobicContact CB-CG2 3.85Å; L160-I167 HydrophobicContact CB-CD1 3.49Å; L160-I167 VanDerWaalsContact CB-CD1 3.49Å; L160-I167 HydrophobicContact CD1-CD1 3.59Å; L160-I167 HydrophobicContact CG-CD1 4.2Å; N161-I167 PolarHBondContact ND2-O 3.36Å; N161-I167 WeakPolarHBondContact OD1-CB 3.47Å; N161-I167 PolarHBondContact OD1-N 3.02Å; A165-I167 HydrophobicContact CB-CD1 4.1Å; A165-I167 HydrophobicContact CB-CG1 4.18Å; I167-I175 HydrophobicContact CG2-CG2 3.76Å; I167-T176 WeakPolarHBondContact CA-O 3.45Å; I167-I177 HydrophobicContact CG1-CB 4.49Å; I167-I177 HydrophobicContact CG1-CG1 4.02Å; I167-I177 HydrophobicContact CG1-CG2 3.98Å; I167-I177 HydrophobicContact CG2-CG1 4.23Å
168	R	98.6	Very high	98	Very high	185 Å²	185	43 Å²	43	70%	0.698	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.8	151.9	177	-60.3	-64	-177	-165.3	-1.2	110.8	I175 T176	R168-I175 WeakPolarHBondContact O-CA 3.18Å; R168-T176 PolarHBondContact N-O 2.93Å; R168-T176 PolarHBondContact O-N 2.93Å
169	G	98.3	Very high	97.9	Very high	30 Å²	30	41.4 Å²	41.4	31%	0.309	24%	0.235	S	C	.	.			trans	84.7	2.7	175.7	0	0	0	0	0	115.4	G171 T172 V174	G169-G171 PolarHBondContact O-N 2.8Å; G169-T172 WeakPolarHBondContact O-CA 3.45Å; G169-T172 WeakPolarHBondContact O-CB 3.35Å; G169-T172 PolarHBondContact O-N 2.69Å; G169-T172 PolarHBondContact O-OG1 3.14Å; G169-V174 WeakPolarHBondContact CA-O 3.4Å
170	A	97.8	Very high	97.9	Very high	29 Å²	29	42.6 Å²	42.6	24%	0.24	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	131.5	172.1	0	0	0	0	0	110.7	I154 A157	I154-A170 HydrophobicContact CG1-CB 4.42Å; A157-A170 HydrophobicContact CB-CB 3.46Å; A157-A170 VanDerWaalsContact CB-CB 3.46Å
171	G	96.7	Very high	97.6	Very high	18 Å²	18	50 Å²	50	19%	0.186	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.4	-14.4	-170.4	0	0	0	0	0	114.5	R149 G169	R149-G171 PolarHBondContact NE-O 3.2Å; G169-G171 PolarHBondContact O-N 2.8Å
172	T	98.2	Very high	97.4	Very high	64 Å²	64	53.2 Å²	53.2	39%	0.393	29%	0.291	S	S	.	.	S	Bend	trans	-100.4	173.2	168	83.5	0	0	0	0	110.7	R149 G169 V174	R149-T172 WeakPolarHBondContact CG-O 3.5Å; G169-T172 WeakPolarHBondContact O-CA 3.45Å; G169-T172 WeakPolarHBondContact O-CB 3.35Å; G169-T172 PolarHBondContact O-N 2.69Å; G169-T172 PolarHBondContact O-OG1 3.14Å; T172-V174 PolarHBondContact O-N 3.31Å; T172-V174 PolarHBondContact OG1-N 2.77Å; T172-V174 PolarHBondContact OG1-O 2.84Å; T172-V174 VanDerWaalsContact OG1-O 3.04Å
173	D	97.3	Very high	97.1	Very high	96 Å²	96	49.6 Å²	49.6	51%	0.513	27%	0.272	S	S	.	.	S	Bend	trans	-74.9	-5	177.2	61	-26.7	0	0	0	113.8	E145 N146 A147	E145-D173 CarbonylContact C-O 3.52Å; N146-D173 WeakPolarHBondContact CA-O 3.32Å; N146-D173 PolarHBondContact N-O 2.97Å; A147-D173 PolarHBondContact N-O 3.27Å
174	V	98.6	Very high	97	Very high	48 Å²	48	53.6 Å²	53.6	29%	0.291	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	116.2	178.4	-175.4	0	0	0	0	110.8	I143 I144 E145 G169 T172	I143-V174 HydrophobicContact CG2-CG1 3.81Å; I144-V174 VanDerWaalsContact O-CA 3.31Å; I144-V174 WeakPolarHBondContact O-CA 3.28Å; E145-V174 HydrophobicContact CG-CG1 4.42Å; E145-V174 HydrophobicContact CG-CG2 4.27Å; G169-V174 WeakPolarHBondContact CA-O 3.4Å; T172-V174 PolarHBondContact O-N 3.31Å; T172-V174 PolarHBondContact OG1-N 2.77Å; T172-V174 PolarHBondContact OG1-O 2.84Å; T172-V174 VanDerWaalsContact OG1-O 3.04Å
175	I	98.8	Very high	97	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.7	175.2	-54.8	179	0	0	0	109.1	T128 M132 I143 I144 A147 I153 I167 R168 I177	T128-I175 HydrophobicContact CG2-CD1 3.78Å; M132-I175 HydrophobicContact SD-CG2 4.39Å; I143-I175 CarbonylContact C-O 3.54Å; I143-I175 WeakPolarHBondContact CA-O 3.41Å; I144-I175 HydrophobicContact CB-CB 4.38Å; I144-I175 PolarHBondContact N-O 3.14Å; I144-I175 PolarHBondContact O-N 3.19Å; A147-I175 HydrophobicContact CB-CD1 3.8Å; A147-I175 HydrophobicContact CB-CG1 3.77Å; I153-I175 HydrophobicContact CG2-CD1 3.75Å; I167-I175 HydrophobicContact CG2-CG2 3.76Å; R168-I175 WeakPolarHBondContact O-CA 3.18Å; I175-I177 HydrophobicContact CB-CD1 4.43Å; I175-I177 HydrophobicContact CG2-CD1 3.7Å; I175-I177 HydrophobicContact CG2-CG1 4.15Å
176	T	98.8	Very high	97	Very high	40 Å²	40	54.5 Å²	54.5	25%	0.245	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.4	173.9	-56.7	0	0	0	0	109.9	R141 T142 I143 I167 R168	R141-T176 HydrophobicContact CG-CG2 3.85Å; T142-T176 WeakPolarHBondContact O-CA 3.16Å; I143-T176 HydrophobicContact CG1-CG2 4.31Å; I167-T176 WeakPolarHBondContact CA-O 3.45Å; R168-T176 PolarHBondContact N-O 2.93Å; R168-T176 PolarHBondContact O-N 2.93Å
177	I	98.7	Very high	96.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.9	-179.9	-51.6	92	0	0	0	108.7	M132 A135 R141 T142 I144 H166 I167 I175	M132-I177 HydrophobicContact CG-CG1 4.31Å; A135-I177 HydrophobicContact CB-CB 3.86Å; A135-I177 HydrophobicContact CB-CD1 4.22Å; A135-I177 HydrophobicContact CB-CG1 4.15Å; A135-I177 HydrophobicContact CB-CG2 3.81Å; R141-I177 CarbonylContact C-O 3.59Å; R141-I177 WeakPolarHBondContact CA-O 3.49Å; T142-I177 HydrophobicContact CG2-CD1 4.45Å; T142-I177 PolarHBondContact N-O 3.33Å; T142-I177 PolarHBondContact O-N 3.08Å; I144-I177 HydrophobicContact CD1-CD1 3.81Å; I144-I177 HydrophobicContact CG1-CD1 4.08Å; H166-I177 WeakPolarHBondContact O-CA 3.23Å; I167-I177 HydrophobicContact CG1-CB 4.49Å; I167-I177 HydrophobicContact CG1-CG1 4.02Å; I167-I177 HydrophobicContact CG1-CG2 3.98Å; I167-I177 HydrophobicContact CG2-CG1 4.23Å; I175-I177 HydrophobicContact CB-CD1 4.43Å; I175-I177 HydrophobicContact CG2-CD1 3.7Å; I175-I177 HydrophobicContact CG2-CG1 4.15Å
178	E	98.6	Very high	96.9	Very high	64 Å²	64	56.9 Å²	56.9	30%	0.299	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.4	164.1	-60.2	-73.1	-175.4	0	0	108	R141 H166	R141-E178 WeakPolarHBondContact CB-OE2 3.48Å; R141-E178 IonicContact CZ-OE1 3.28Å; R141-E178 IonicContact NE-OE1 3.62Å; R141-E178 PolarHBondContact NE-OE1 2.96Å; R141-E178 IonicContact NE-OE2 3.99Å; R141-E178 IonicContact NH2-OE1 3.81Å; R141-E178 PolarHBondContact NH2-OE1 3.17Å; H166-E178 HydrophobicContact CB-CB 3.88Å; H166-E178 PolarHBondContact O-N 2.84Å
179	G	96.6	Very high	96.8	Very high	24 Å²	24	53.3 Å²	53.3	25%	0.247	29%	0.29	C	S	.	.			trans	-70.8	148.1	179.1	0	0	0	0	0	112.7	A135 T136 A138 G140	A135-G179 WeakPolarHBondContact O-CA 3.44Å; T136-G179 CarbonylContact O-C 3.57Å; T136-G179 WeakPolarHBondContact O-CA 3.44Å; A138-G179 VanDerWaalsContact O-CA 3.28Å; A138-G179 WeakPolarHBondContact O-CA 3.49Å; G140-G179 PolarHBondContact O-N 3.02Å; G140-G179 VanDerWaalsContact O-N 3.08Å
180	V	96.3	Very high	96.7	Very high	27 Å²	27	53.8 Å²	53.8	16%	0.164	29%	0.286	C	S	.	.			trans	-126.2	155.3	-177.2	-62.5	0	0	0	0	111.2	T136 K137 H166 Y182 L183	T136-V180 WeakPolarHBondContact O-CG2 3.2Å; T136-V180 PolarHBondContact O-N 3.38Å; K137-V180 WeakPolarHBondContact CA-O 3.4Å; H166-V180 VanDerWaalsContact CD2-CG1 3.42Å; H166-V180 WeakPolarHBondContact CD2-CG1 3.5Å; V180-Y182 VanDerWaalsContact C-N 3.32Å; V180-Y182 WeakPolarHBondContact CG2-O 3.46Å; V180-Y182 PolarHBondContact O-N 2.83Å; V180-L183 HydrophobicContact CG2-CD2 3.71Å; V180-L183 HydrophobicContact CG2-CG 4.17Å
181	D	91.9	Very high	96.7	Very high	154 Å²	154	54.3 Å²	54.3	82%	0.824	29%	0.285	S	S	*	.	S	Bend	trans	-70.8	-30	-179.3	-63.2	-38.1	0	0	0	112.8	K137	K137-D181 VanDerWaalsContact CE-O 3.23Å; K137-D181 WeakPolarHBondContact CE-O 3.31Å; K137-D181 PolarHBondContact NZ-O 3.02Å
182	Y	92.1	Very high	96.7	Very high	119 Å²	119	54.5 Å²	54.5	47%	0.467	28%	0.282	S	S	.	.			trans	-144.9	143.8	-165.5	178.4	-88.9	0	0	0	111.6	D18 V180 H184	D18-Y182 HydrophobicContact CB-CD2 3.64Å; D18-Y182 HydrophobicContact CB-CE2 3.01Å; D18-Y182 VanDerWaalsContact CB-CZ 3.5Å; D18-Y182 VanDerWaalsContact CG-CD2 3.47Å; D18-Y182 VanDerWaalsContact CG-CE2 3.45Å; D18-Y182 WeakPolarHBondContact OD2-CD2 3.29Å; D18-Y182 WeakPolarHBondContact OD2-CE2 3.31Å; V180-Y182 VanDerWaalsContact C-N 3.32Å; V180-Y182 WeakPolarHBondContact CG2-O 3.46Å; V180-Y182 PolarHBondContact O-N 2.83Å; Y182-H184 HydrophobicContact CE1-CB 3.74Å
183	L	93.4	Very high	96.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.277	C	S	.	.			trans	-127.5	122.4	172.4	-68.5	172.6	0	0	0	109.2	L16 A17 D18 K137 M163 A165 V180	L16-L183 HydrophobicContact CB-CD1 3.86Å; A17-L183 WeakPolarHBondContact CA-O 3.33Å; D18-L183 PolarHBondContact N-O 3.18Å; D18-L183 PolarHBondContact OD2-N 3.46Å; D18-L183 VanDerWaalsContact OD2-N 3.13Å; K137-L183 HydrophobicContact CD-CD1 4.4Å; K137-L183 HydrophobicContact CG-CD1 4.2Å; M163-L183 HydrophobicContact CB-CB 4.24Å; M163-L183 HydrophobicContact CB-CD2 4.27Å; M163-L183 HydrophobicContact CE-CB 4.04Å; M163-L183 HydrophobicContact CE-CD1 4.26Å; M163-L183 CarbonylContact O-C 3.54Å; M163-L183 VanDerWaalsContact O-CA 3.23Å; M163-L183 WeakPolarHBondContact O-CA 3.32Å; M163-L183 WeakPolarHBondContact O-CD2 3.46Å; A165-L183 HydrophobicContact CB-CD2 3.81Å; A165-L183 VanDerWaalsContact N-CD2 3.29Å; V180-L183 HydrophobicContact CG2-CD2 3.71Å; V180-L183 HydrophobicContact CG2-CG 4.17Å
184	H	95.2	Very high	96.7	Very high	85 Å²	85	50.2 Å²	50.2	39%	0.394	26%	0.256	S	S	.	.			trans	-79.9	165.8	177.4	49.8	87.5	0	0	0	112.2	N162 M163 Y182	N162-H184 PolarHBondContact O-CE1 3.23Å; M163-H184 WeakPolarHBondContact CA-O 3.28Å; M163-H184 VanDerWaalsContact CB-O 3.29Å; M163-H184 WeakPolarHBondContact CB-O 3.49Å; M163-H184 WeakPolarHBondContact CG-O 3.18Å; M163-H184 PolarHBondContact O-CD2 2.88Å; M163-H184 VanDerWaalsContact O-CD2 3.29Å; M163-H184 PolarHBondContact O-N 2.98Å; Y182-H184 HydrophobicContact CE1-CB 3.74Å
185	G	95.6	Very high	96.7	Very high	16 Å²	16	48.2 Å²	48.2	17%	0.165	24%	0.243	C	C	.	.			trans	-60.5	159.2	164.8	0	0	0	0	0	112.9	I20	I20-G185 CarbonylContact O-C 3.57Å; I20-G185 WeakPolarHBondContact O-CA 3.45Å
186	T	97.6	Very high	96.6	Very high	33 Å²	33	49.7 Å²	49.7	20%	0.202	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	169.4	176.6	-160.9	0	0	0	0	110.9	I20 V21 I22 L159 N162 M163	I20-T186 PolarHBondContact O-N 2.72Å; V21-T186 CarbonylContact C-O 3.57Å; V21-T186 WeakPolarHBondContact CA-O 3.11Å; I22-T186 PolarHBondContact N-O 3.31Å; L159-T186 HydrophobicContact CD1-CG2 3.51Å; N162-T186 HydrophobicContact CB-CG2 4.24Å; N162-T186 PolarHBondContact O-OG1 2.81Å; M163-T186 HydrophobicContact CG-CG2 3.58Å
187	R	97.8	Very high	96.6	Very high	147 Å²	147	48.2 Å²	48.2	56%	0.555	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115	130.2	169.7	-176.5	168	-172.7	141.3	3.7	109.1	I22 D24	I22-R187 HydrophobicContact CB-CB 4.14Å; I22-R187 HydrophobicContact CB-CG 3.92Å; I22-R187 HydrophobicContact CG2-CG 3.93Å; I22-R187 CarbonylContact O-C 3.53Å; I22-R187 VanDerWaalsContact O-CA 3.28Å; I22-R187 WeakPolarHBondContact O-CA 3.49Å; D24-R187 IonicContact OD1-CZ 3.51Å; D24-R187 IonicContact OD1-NE 3.47Å; D24-R187 PolarHBondContact OD1-NE 3.1Å; D24-R187 IonicContact OD1-NH2 3.5Å; D24-R187 PolarHBondContact OD1-NH2 3.39Å; D24-R187 VanDerWaalsContact OD2-CG 3.3Å; D24-R187 WeakPolarHBondContact OD2-CG 3.41Å; D24-R187 IonicContact OD2-CZ 2.74Å; D24-R187 IonicContact OD2-NE 2.65Å; D24-R187 PolarHBondContact OD2-NE 2.85Å; D24-R187 IonicContact OD2-NH2 3.46Å; D24-R187 PolarHBondContact OD2-NH2 3.07Å
188	H	97.8	Very high	96.6	Very high	16 Å²	16	48.2 Å²	48.2	7%	0.074	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	131.4	-171.4	-175.3	86.1	0	0	0	112.2	I22 L23 D24 D155 L159	I22-H188 PolarHBondContact O-N 3.45Å; L23-H188 CarbonylContact C-O 3.59Å; L23-H188 WeakPolarHBondContact CA-O 3.48Å; L23-H188 HydrophobicContact CD2-CB 4.15Å; D24-H188 PolarHBondContact N-O 3.08Å; D155-H188 IonicContact OD1-CD2 3.59Å; D155-H188 IonicContact OD1-CE1 3.35Å; D155-H188 PolarHBondContact OD1-CE1 2.86Å; D155-H188 IonicContact OD1-NE2 3.59Å; D155-H188 PolarHBondContact OD1-NE2 3.04Å; D155-H188 IonicContact OD2-NE2 2.63Å; L159-H188 HydrophobicContact CD1-CB 3.68Å
189	Q	97.1	Very high	96.6	Very high	110 Å²	110	45.2 Å²	45.2	51%	0.514	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.5	174	179.8	65.9	49.5	0	0	109.8	D24 G25 I191	D24-Q189 PolarHBondContact O-NE2 3.35Å; G25-Q189 VanDerWaalsContact CA-NE2 3.3Å; Q189-I191 PolarHBondContact O-N 2.94Å
190	V	96.4	Very high	96.7	Very high	40 Å²	40	45 Å²	45	24%	0.242	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-65.4	133.1	173.9	-180	0	0	0	0	109.3	L23 D24 V26	L23-V190 HydrophobicContact CB-CG2 4.49Å; D24-V190 WeakPolarHBondContact O-CB 3.5Å; D24-V190 WeakPolarHBondContact O-CG2 3.46Å; D24-V190 PolarHBondContact O-N 3.32Å; V26-V190 HydrophobicContact CG2-CG2 4.35Å
191	I	96.9	Very high	96.8	Very high	40 Å²	40	43.8 Å²	43.8	21%	0.205	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-59.1	151.8	175.9	58.3	165.5	0	0	0	111.6	P151 E152 D155 Q189	P151-I191 HydrophobicContact CB-CD1 3.89Å; E152-I191 HydrophobicContact CG-CD1 4.48Å; D155-I191 HydrophobicContact CB-CD1 3.98Å; D155-I191 HydrophobicContact CB-CG1 3.99Å; D155-I191 HydrophobicContact CB-CG2 4.01Å; Q189-I191 PolarHBondContact O-N 2.94Å
192	P	96.8	Very high	97.1	Very high	21 Å²	21	36.4 Å²	36.4	14%	0.136	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-62.6	146	176.5	-21	33.4	0	0	0	112.8	R194 N215 L217	P192-R194 PolarHBondContact O-N 3.28Å; P192-N215 WeakPolarHBondContact CB-O 3.4Å; P192-N215 WeakPolarHBondContact CG-O 3.26Å; P192-N215 VanDerWaalsContact CG-OD1 3.31Å; P192-N215 WeakPolarHBondContact CG-OD1 3.36Å; P192-L217 HydrophobicContact CG-CD1 4.33Å; P192-L217 HydrophobicContact CG-CG 4.17Å
193	D	97.5	Very high	97.4	Very high	51 Å²	51	31.4 Å²	31.4	27%	0.273	15%	0.154	S	C	.	.			trans	-73.7	98.4	179	-169.9	-34.3	0	0	0	110	I195 E196 A197	D193-I195 PolarHBondContact O-N 3.39Å; D193-I195 VanDerWaalsContact OD1-CA 3.32Å; D193-I195 WeakPolarHBondContact OD1-CA 3.23Å; D193-I195 VanDerWaalsContact OD1-CB 3.26Å; D193-I195 WeakPolarHBondContact OD1-CB 3.44Å; D193-I195 PolarHBondContact OD1-N 3.06Å; D193-E196 HydrophobicContact CB-CB 3.84Å; D193-E196 PolarHBondContact O-N 3.49Å; D193-E196 PolarHBondContact OD1-N 2.74Å; D193-A197 PolarHBondContact O-N 3.02Å
194	R	98	Very high	97.7	Very high	20 Å²	20	31.6 Å²	31.6	8%	0.075	16%	0.156	C	C	.	.	H	α-helix	trans	-58.9	-28.7	176.7	68.2	-173.3	177.5	92.6	-0.9	112.8	E152 P192 G198 H220 L221	E152-R194 IonicContact OE1-CZ 2.69Å; E152-R194 IonicContact OE1-NE 2.74Å; E152-R194 PolarHBondContact OE1-NE 3.02Å; E152-R194 IonicContact OE1-NH2 2.84Å; E152-R194 IonicContact OE2-CZ 3.83Å; E152-R194 IonicContact OE2-NE 2.81Å; E152-R194 PolarHBondContact OE2-NE 3.24Å; E152-R194 IonicContact OE2-NH2 2.77Å; E152-R194 PolarHBondContact OE2-NH2 2.77Å; P192-R194 PolarHBondContact O-N 3.28Å; R194-G198 PolarHBondContact O-N 2.94Å; R194-H220 HydrophobicContact CB-CB 3.95Å; R194-L221 HydrophobicContact CB-CD2 4.22Å; R194-L221 HydrophobicContact CB-CG 4.16Å; R194-L221 WeakPolarHBondContact O-CD2 3.09Å
195	I	98.3	Very high	97.8	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.026	14%	0.139	C	C	.	.	H	α-helix	trans	-75.8	-41.7	179.3	-49.7	-56.2	0	0	0	110.1	D193 G198 T199 A264 D266 L267 R332	D193-I195 PolarHBondContact O-N 3.39Å; D193-I195 VanDerWaalsContact OD1-CA 3.32Å; D193-I195 WeakPolarHBondContact OD1-CA 3.23Å; D193-I195 VanDerWaalsContact OD1-CB 3.26Å; D193-I195 WeakPolarHBondContact OD1-CB 3.44Å; D193-I195 PolarHBondContact OD1-N 3.06Å; I195-G198 PolarHBondContact O-N 2.81Å; I195-T199 WeakPolarHBondContact O-CB 3.26Å; I195-T199 PolarHBondContact O-N 3.22Å; I195-T199 PolarHBondContact O-OG1 3.17Å; I195-A264 HydrophobicContact CD1-CB 4.28Å; I195-D266 HydrophobicContact CD1-CB 3.67Å; I195-D266 HydrophobicContact CG1-CB 3.97Å; I195-D266 HydrophobicContact CG2-CB 3.9Å; I195-L267 HydrophobicContact CD1-CD1 4.21Å; I195-L267 HydrophobicContact CD1-CG 3.96Å; I195-L267 HydrophobicContact CG2-CD2 4.03Å; I195-L267 HydrophobicContact CG2-CG 4.3Å; I195-L267 WeakPolarHBondContact O-CD2 3.22Å; I195-R332 VanDerWaalsContact CG2-CZ 3.47Å
196	E	98.1	Very high	97.9	Very high	32 Å²	32	27.9 Å²	27.9	15%	0.15	14%	0.138	C	C	.	.	H	α-helix	trans	-60.2	-49.9	171.2	-175	174.6	-151.7	0	0	110.5	D193 G198 T199 Y200 Y360 K366	D193-E196 HydrophobicContact CB-CB 3.84Å; D193-E196 PolarHBondContact O-N 3.49Å; D193-E196 PolarHBondContact OD1-N 2.74Å; E196-G198 PolarHBondContact O-N 2.88Å; E196-T199 WeakPolarHBondContact O-CA 3.32Å; E196-T199 VanDerWaalsContact O-CB 3.3Å; E196-T199 WeakPolarHBondContact O-CB 3.47Å; E196-T199 PolarHBondContact O-N 2.9Å; E196-Y200 HydrophobicContact CG-CD2 3.77Å; E196-Y200 HydrophobicContact CG-CE2 3.62Å; E196-Y200 WeakPolarHBondContact O-CD2 3.26Å; E196-Y200 PolarHBondContact O-N 3.28Å; E196-Y360 HydrophobicContact CG-CD1 4.23Å; E196-Y360 HydrophobicContact CG-CE1 4.46Å; E196-K366 IonicContact OE1-NZ 2.8Å; E196-K366 PolarHBondContact OE1-NZ 3.03Å; E196-K366 IonicContact OE2-NZ 3.54Å
197	A	98.4	Very high	97.8	Very high	9 Å²	9	31.5 Å²	31.5	7%	0.074	15%	0.154	C	C	.	.	H	α-helix	trans	-55.2	-49.6	176.2	0	0	0	0	0	111.9	D193 T199 Y200 I201 I213 V216 L221	D193-A197 PolarHBondContact O-N 3.02Å; A197-T199 VanDerWaalsContact C-N 3.27Å; A197-T199 PolarHBondContact O-N 3.21Å; A197-Y200 PolarHBondContact O-N 3.27Å; A197-I201 VanDerWaalsContact O-CG1 3.25Å; A197-I201 WeakPolarHBondContact O-CG1 3.22Å; A197-I201 PolarHBondContact O-N 2.99Å; A197-I213 HydrophobicContact CB-CG2 4.44Å; A197-V216 HydrophobicContact CB-CG1 4.22Å; A197-V216 HydrophobicContact CB-CG2 3.9Å; A197-L221 HydrophobicContact CB-CD1 4.03Å
198	G	98.6	Very high	97.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.9	-33	176.7	0	0	0	0	0	113.5	R194 I195 E196 I201 A202 Y224	R194-G198 PolarHBondContact O-N 2.94Å; I195-G198 PolarHBondContact O-N 2.81Å; E196-G198 PolarHBondContact O-N 2.88Å; G198-I201 PolarHBondContact O-N 2.79Å; G198-A202 PolarHBondContact O-N 2.9Å; G198-Y224 VanDerWaalsContact CA-CE1 3.49Å; G198-Y224 WeakPolarHBondContact O-CE1 3.28Å; G198-Y224 PolarHBondContact O-OH 3.49Å
199	T	98.7	Very high	97.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65	-48.3	174.3	-56.9	0	0	0	0	111	I195 E196 A197 I201 A202 M203 P270 A335 I339 Y360	I195-T199 WeakPolarHBondContact O-CB 3.26Å; I195-T199 PolarHBondContact O-N 3.22Å; I195-T199 PolarHBondContact O-OG1 3.17Å; E196-T199 WeakPolarHBondContact O-CA 3.32Å; E196-T199 VanDerWaalsContact O-CB 3.3Å; E196-T199 WeakPolarHBondContact O-CB 3.47Å; E196-T199 PolarHBondContact O-N 2.9Å; A197-T199 VanDerWaalsContact C-N 3.27Å; A197-T199 PolarHBondContact O-N 3.21Å; T199-I201 VanDerWaalsContact C-N 3.33Å; T199-I201 PolarHBondContact O-N 3.47Å; T199-A202 WeakPolarHBondContact O-CB 3.27Å; T199-A202 PolarHBondContact O-N 3.48Å; T199-M203 HydrophobicContact CG2-CE 3.72Å; T199-M203 HydrophobicContact CG2-SD 4.31Å; T199-M203 WeakPolarHBondContact O-CG 3.27Å; T199-M203 PolarHBondContact O-N 3.05Å; T199-P270 HydrophobicContact CG2-CB 4.18Å; T199-A335 HydrophobicContact CG2-CB 4.15Å; T199-I339 HydrophobicContact CG2-CD1 4.16Å; T199-Y360 HydrophobicContact CG2-CE1 3.63Å; T199-Y360 PolarHBondContact OG1-OH 3.29Å
200	Y	98.5	Very high	97.5	Very high	21 Å²	21	27.9 Å²	27.9	8%	0.082	16%	0.156	C	C	.	.	H	α-helix	trans	-67.4	-32.9	177.2	-80.1	-76.2	0	0	0	112.8	E196 A197 A202 M203 A204 K366 L367	E196-Y200 HydrophobicContact CG-CD2 3.77Å; E196-Y200 HydrophobicContact CG-CE2 3.62Å; E196-Y200 WeakPolarHBondContact O-CD2 3.26Å; E196-Y200 PolarHBondContact O-N 3.28Å; A197-Y200 PolarHBondContact O-N 3.27Å; Y200-A202 VanDerWaalsContact C-N 3.34Å; Y200-M203 HydrophobicContact CD1-SD 3.78Å; Y200-M203 HydrophobicContact CE1-SD 3.98Å; Y200-M203 HydrophobicContact CG-SD 4.36Å; Y200-M203 WeakPolarHBondContact O-CB 3.45Å; Y200-M203 PolarHBondContact O-N 3.38Å; Y200-A204 VanDerWaalsContact O-CB 3.29Å; Y200-A204 WeakPolarHBondContact O-CB 3.48Å; Y200-A204 PolarHBondContact O-N 2.92Å; Y200-K366 HydrophobicContact CE1-CB 4.31Å; Y200-K366 HydrophobicContact CE2-CD 4.2Å; Y200-K366 VanDerWaalsContact OH-CB 3.27Å; Y200-K366 WeakPolarHBondContact OH-CB 3.41Å; Y200-K366 WeakPolarHBondContact OH-CD 3.35Å; Y200-L367 HydrophobicContact CD1-CD2 4.49Å; Y200-L367 HydrophobicContact CE1-CD2 3.84Å; Y200-L367 HydrophobicContact CE1-CG 4.32Å
201	I	98.7	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.4	-43.1	171.5	-68.3	163.3	0	0	0	110.5	A197 G198 T199 A204 A205 I213 L221 Y224 L228 I242 V244	A197-I201 VanDerWaalsContact O-CG1 3.25Å; A197-I201 WeakPolarHBondContact O-CG1 3.22Å; A197-I201 PolarHBondContact O-N 2.99Å; G198-I201 PolarHBondContact O-N 2.79Å; T199-I201 VanDerWaalsContact C-N 3.33Å; T199-I201 PolarHBondContact O-N 3.47Å; I201-A204 PolarHBondContact O-N 2.92Å; I201-A205 VanDerWaalsContact O-CB 3.31Å; I201-A205 WeakPolarHBondContact O-CB 3.47Å; I201-A205 PolarHBondContact O-N 3.28Å; I201-I213 HydrophobicContact CG1-CD1 3.9Å; I201-I213 HydrophobicContact CG1-CG1 4.15Å; I201-L221 HydrophobicContact CD1-CD1 4.04Å; I201-Y224 HydrophobicContact CB-CE1 4.35Å; I201-Y224 HydrophobicContact CG2-CE1 4.27Å; I201-L228 HydrophobicContact CG2-CD1 3.34Å; I201-I242 HydrophobicContact CD1-CD1 3.88Å; I201-V244 HydrophobicContact CB-CG2 4.47Å; I201-V244 HydrophobicContact CG1-CG2 4.32Å; I201-V244 HydrophobicContact CG2-CG2 4.05Å
202	A	98.6	Very high	97.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.5	-42.9	175	0	0	0	0	0	112.2	G198 T199 Y200 A205 A206 Y224 I339	G198-A202 PolarHBondContact O-N 2.9Å; T199-A202 WeakPolarHBondContact O-CB 3.27Å; T199-A202 PolarHBondContact O-N 3.48Å; Y200-A202 VanDerWaalsContact C-N 3.34Å; A202-A205 PolarHBondContact O-N 3.22Å; A202-A206 VanDerWaalsContact O-CB 3.25Å; A202-A206 WeakPolarHBondContact O-CB 3.46Å; A202-A206 PolarHBondContact O-N 3.35Å; A202-Y224 WeakPolarHBondContact CB-OH 3.34Å; A202-I339 HydrophobicContact CB-CD1 4.19Å
203	M	98.2	Very high	97.8	Very high	14 Å²	14	30.3 Å²	30.3	7%	0.069	16%	0.159	C	C	.	.	H	α-helix	trans	-57	-51	174.3	-72.5	167.2	175.4	0	0	111.5	T199 Y200 A205 A206 M207 V338 I339 L342 L367	T199-M203 HydrophobicContact CG2-CE 3.72Å; T199-M203 HydrophobicContact CG2-SD 4.31Å; T199-M203 WeakPolarHBondContact O-CG 3.27Å; T199-M203 PolarHBondContact O-N 3.05Å; Y200-M203 HydrophobicContact CD1-SD 3.78Å; Y200-M203 HydrophobicContact CE1-SD 3.98Å; Y200-M203 HydrophobicContact CG-SD 4.36Å; Y200-M203 WeakPolarHBondContact O-CB 3.45Å; Y200-M203 PolarHBondContact O-N 3.38Å; M203-A205 PolarHBondContact O-N 2.83Å; M203-A206 PolarHBondContact O-N 3.33Å; M203-M207 PolarHBondContact O-N 2.97Å; M203-V338 HydrophobicContact CE-CB 4.49Å; M203-V338 HydrophobicContact CE-CG1 4Å; M203-I339 HydrophobicContact CE-CD1 4.25Å; M203-I339 HydrophobicContact CE-CG1 3.53Å; M203-I339 HydrophobicContact CG-CB 4.4Å; M203-I339 HydrophobicContact CG-CD1 4.02Å; M203-I339 HydrophobicContact CG-CG1 3.5Å; M203-I339 HydrophobicContact CG-CG2 4.35Å; M203-I339 HydrophobicContact SD-CG1 4.38Å; M203-L342 HydrophobicContact CG-CD1 4.42Å; M203-L367 HydrophobicContact CE-CD1 4.5Å; M203-L367 HydrophobicContact SD-CD2 3.8Å
204	A	98.3	Very high	97.8	Very high	4 Å²	4	32.3 Å²	32.3	3%	0.033	17%	0.173	C	C	.	.	H	α-helix	trans	-62.8	-41.3	-179.7	0	0	0	0	0	112.1	Y200 I201 A206 G208 V211 I213 V244	Y200-A204 VanDerWaalsContact O-CB 3.29Å; Y200-A204 WeakPolarHBondContact O-CB 3.48Å; Y200-A204 PolarHBondContact O-N 2.92Å; I201-A204 PolarHBondContact O-N 2.92Å; A204-A206 VanDerWaalsContact C-N 3.3Å; A204-A206 PolarHBondContact O-N 3.02Å; A204-G208 WeakPolarHBondContact O-CA 2.99Å; A204-G208 PolarHBondContact O-N 2.86Å; A204-V211 HydrophobicContact CB-CB 3.64Å; A204-V211 HydrophobicContact CB-CG1 4.15Å; A204-V211 HydrophobicContact CB-CG2 3.89Å; A204-I213 HydrophobicContact CB-CD1 4.34Å; A204-V244 HydrophobicContact CB-CB 3.73Å; A204-V244 HydrophobicContact CB-CG1 3.84Å; A204-V244 HydrophobicContact CB-CG2 4.14Å
205	A	98.4	Very high	97.7	Very high	5 Å²	5	36.6 Å²	36.6	4%	0.041	20%	0.197	C	C	.	.	H	α-helix	trans	-68.7	-30.2	177	0	0	0	0	0	112.5	I201 A202 M203 V233 V244 Q247 L274	I201-A205 VanDerWaalsContact O-CB 3.31Å; I201-A205 WeakPolarHBondContact O-CB 3.47Å; I201-A205 PolarHBondContact O-N 3.28Å; A202-A205 PolarHBondContact O-N 3.22Å; M203-A205 PolarHBondContact O-N 2.83Å; A205-V233 HydrophobicContact CB-CG1 3.83Å; A205-V233 HydrophobicContact CB-CG2 4.16Å; A205-V244 HydrophobicContact CB-CG1 4.13Å; A205-Q247 HydrophobicContact CB-CG 4.12Å; A205-Q247 VanDerWaalsContact O-CG 3.27Å; A205-Q247 WeakPolarHBondContact O-CG 3.37Å; A205-L274 HydrophobicContact CB-CD1 3.7Å; A205-L274 HydrophobicContact CB-CD2 3.75Å; A205-L274 HydrophobicContact CB-CG 4.38Å
206	A	97.5	Very high	97.7	Very high	17 Å²	17	36.6 Å²	36.6	14%	0.14	20%	0.197	C	C	.	.	H	α-helix	trans	-79.8	-41.8	-177.2	0	0	0	0	0	112.9	A202 M203 A204 L274 I339 M343	A202-A206 VanDerWaalsContact O-CB 3.25Å; A202-A206 WeakPolarHBondContact O-CB 3.46Å; A202-A206 PolarHBondContact O-N 3.35Å; M203-A206 PolarHBondContact O-N 3.33Å; A204-A206 VanDerWaalsContact C-N 3.3Å; A204-A206 PolarHBondContact O-N 3.02Å; A206-L274 HydrophobicContact CB-CB 4.42Å; A206-L274 HydrophobicContact CB-CD1 3.93Å; A206-I339 HydrophobicContact CB-CG2 4.28Å; A206-M343 HydrophobicContact CB-CG 4.13Å; A206-M343 HydrophobicContact CB-SD 3.81Å
207	M	94.7	Very high	97.7	Very high	110 Å²	110	38 Å²	38	54%	0.542	21%	0.206	S	C	.	.	H	α-helix	trans	-140.3	-0.7	-171.9	-76.9	-65	-71.4	0	0	114.9	M203 M343	M203-M207 PolarHBondContact O-N 2.97Å; M207-M343 HydrophobicContact CG-CB 4.14Å; M207-M343 HydrophobicContact CG-CG 3.49Å; M207-M343 VanDerWaalsContact CG-CG 3.49Å; M207-M343 HydrophobicContact SD-CB 4.49Å; M207-M343 HydrophobicContact SD-CG 4.32Å
208	G	94.4	Very high	97.6	Very high	15 Å²	15	42.1 Å²	42.1	16%	0.155	22%	0.22	C	C	.	.			trans	-75	150.3	-177.1	0	0	0	0	0	113.6	A204	A204-G208 WeakPolarHBondContact O-CA 2.99Å; A204-G208 PolarHBondContact O-N 2.86Å
209	E	95.9	Very high	97.5	Very high	150 Å²	150	47 Å²	47	70%	0.701	24%	0.243	S	C	*	.	S	Bend	trans	-103	16.3	172.7	-56.9	-150.6	132.2	0	0	113.3	K246	E209-K246 HydrophobicContact CG-CD 4.41Å; E209-K246 IonicContact OE1-NZ 2.74Å; E209-K246 PolarHBondContact OE1-NZ 3.2Å
210	G	97.3	Very high	97.5	Very high	32 Å²	32	48.6 Å²	48.6	33%	0.33	25%	0.25	S	S	.	.	S	Bend	trans	122.3	94	-169.5	0	0	0	0	0	110.4	V244	G210-V244 CarbonylContact C-O 3.6Å; G210-V244 VanDerWaalsContact CA-O 3.3Å; G210-V244 WeakPolarHBondContact CA-O 3.29Å
211	V	98.1	Very high	97.5	Very high	21 Å²	21	47.8 Å²	47.8	13%	0.127	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.5	-175.5	-178.7	0	0	0	0	109.4	A204 I213 F243 V244 L370	A204-V211 HydrophobicContact CB-CB 3.64Å; A204-V211 HydrophobicContact CB-CG1 4.15Å; A204-V211 HydrophobicContact CB-CG2 3.89Å; V211-I213 HydrophobicContact CG1-CD1 4.26Å; V211-F243 CarbonylContact O-C 3.55Å; V211-F243 WeakPolarHBondContact O-CA 3.47Å; V211-V244 PolarHBondContact N-O 3.09Å; V211-V244 PolarHBondContact O-N 3.31Å; V211-L370 HydrophobicContact CG1-CD1 4.24Å; V211-L370 HydrophobicContact CG1-CD2 3.99Å
212	R	98.3	Very high	97.4	Very high	115 Å²	115	53 Å²	53	43%	0.434	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	118.6	171.8	-173.9	168.7	-74.9	-91.9	1.8	109.5	T214 E238 S241 F243	R212-T214 HydrophobicContact CG-CG2 4.05Å; R212-E238 IonicContact CZ-OE1 3.95Å; R212-E238 IonicContact CZ-OE2 3.33Å; R212-E238 IonicContact NH1-OE1 2.72Å; R212-E238 PolarHBondContact NH1-OE1 3.01Å; R212-E238 IonicContact NH1-OE2 3.21Å; R212-E238 PolarHBondContact NH1-OE2 3.09Å; R212-E238 IonicContact NH2-OE1 2.78Å; R212-E238 PolarHBondContact NH2-OE1 2.84Å; R212-E238 IonicContact NH2-OE2 3.37Å; R212-S241 PolarHBondContact NH1-OG 2.86Å; R212-F243 HydrophobicContact CB-CD2 4.08Å
213	I	98.4	Very high	97.4	Very high	15 Å²	15	55 Å²	55	8%	0.077	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	113.3	170.8	-55	83.7	0	0	0	106.6	A197 I201 A204 V211 V216 S241 I242 V244	A197-I213 HydrophobicContact CB-CG2 4.44Å; I201-I213 HydrophobicContact CG1-CD1 3.9Å; I201-I213 HydrophobicContact CG1-CG1 4.15Å; A204-I213 HydrophobicContact CB-CD1 4.34Å; V211-I213 HydrophobicContact CG1-CD1 4.26Å; I213-V216 HydrophobicContact CB-CG2 4.09Å; I213-V216 HydrophobicContact CG2-CG2 3.49Å; I213-V216 VanDerWaalsContact CG2-CG2 3.49Å; I213-V216 WeakPolarHBondContact O-CG2 3.34Å; I213-S241 CarbonylContact O-C 3.57Å; I213-S241 WeakPolarHBondContact O-CA 3.44Å; I213-S241 VanDerWaalsContact O-CB 3.23Å; I213-S241 WeakPolarHBondContact O-CB 3.19Å; I213-I242 WeakPolarHBondContact CD1-O 3.4Å; I213-I242 PolarHBondContact N-O 2.95Å; I213-I242 PolarHBondContact O-N 3.32Å; I213-V244 HydrophobicContact CD1-CB 4.45Å; I213-V244 HydrophobicContact CD1-CG2 3.69Å
214	T	97.9	Very high	97.4	Very high	93 Å²	93	54.5 Å²	54.5	57%	0.571	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	167.7	179.9	57.1	0	0	0	0	111.6	R212 D240	R212-T214 HydrophobicContact CG-CG2 4.05Å; T214-D240 CarbonylContact C-O 3.58Å
215	N	96.9	Very high	97.4	Very high	111 Å²	111	54.9 Å²	54.9	59%	0.594	28%	0.284	S	S	*	.	S	Bend	trans	57.3	50.1	-176.7	-163.2	33.5	0	0	0	111.3	P192 D240	P192-N215 WeakPolarHBondContact CB-O 3.4Å; P192-N215 WeakPolarHBondContact CG-O 3.26Å; P192-N215 VanDerWaalsContact CG-OD1 3.31Å; P192-N215 WeakPolarHBondContact CG-OD1 3.36Å; N215-D240 WeakPolarHBondContact CA-O 3.3Å; N215-D240 PolarHBondContact N-O 3.37Å
216	V	97.8	Very high	97.4	Very high	4 Å²	4	57 Å²	57	2%	0.024	30%	0.302	C	S	.	.			trans	-116.7	131.7	-179.7	-177	0	0	0	0	109.6	A197 I213 L221 D240 I242	A197-V216 HydrophobicContact CB-CG1 4.22Å; A197-V216 HydrophobicContact CB-CG2 3.9Å; I213-V216 HydrophobicContact CB-CG2 4.09Å; I213-V216 HydrophobicContact CG2-CG2 3.49Å; I213-V216 VanDerWaalsContact CG2-CG2 3.49Å; I213-V216 WeakPolarHBondContact O-CG2 3.34Å; V216-L221 HydrophobicContact CG1-CD1 3.99Å; V216-D240 PolarHBondContact N-O 2.79Å; V216-D240 CarbonylContact O-C 3.44Å; V216-I242 HydrophobicContact CB-CG1 4.44Å; V216-I242 HydrophobicContact CG1-CD1 3.8Å; V216-I242 HydrophobicContact CG1-CG1 4.05Å
217	L	97.6	Very high	97.5	Very high	62 Å²	62	58.7 Å²	58.7	33%	0.325	31%	0.306	S	S	.	.			trans	-100.7	102.7	166.9	-61.6	177	0	0	0	108.3	P192 E219 H220	P192-L217 HydrophobicContact CG-CD1 4.33Å; P192-L217 HydrophobicContact CG-CG 4.17Å; L217-E219 PolarHBondContact O-N 3.27Å; L217-H220 VanDerWaalsContact CD1-CE1 3.41Å; L217-H220 WeakPolarHBondContact CD1-CE1 3.47Å; L217-H220 WeakPolarHBondContact O-CB 3.37Å; L217-H220 PolarHBondContact O-N 3.44Å
218	Y	96.9	Very high	97.6	Very high	95 Å²	95	53.5 Å²	53.5	37%	0.373	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-62.2	-29.5	-173.5	76.2	-88.8	0	0	0	112.9	H220 L221 E222 V237	Y218-H220 PolarHBondContact O-N 2.98Å; Y218-L221 CarbonylContact O-C 3.55Å; Y218-L221 WeakPolarHBondContact O-CA 3.35Å; Y218-L221 PolarHBondContact O-N 3.25Å; Y218-E222 PolarHBondContact O-N 2.76Å; Y218-V237 VanDerWaalsContact CB-CG1 3.44Å; Y218-V237 HydrophobicContact CD1-CG1 3.98Å; Y218-V237 HydrophobicContact CD2-CG1 4.13Å; Y218-V237 HydrophobicContact CG-CG1 3.57Å
219	E	97.1	Very high	97.8	Very high	104 Å²	104	58.2 Å²	58.2	49%	0.486	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-59.7	-26.8	175.8	-62.4	175.5	95.4	0	0	112.4	L217 L221 Y260	L217-E219 PolarHBondContact O-N 3.27Å; E219-L221 PolarHBondContact O-N 3.07Å; E219-Y260 PolarHBondContact O-OH 2.93Å
220	H	98.1	Very high	98	Very high	32 Å²	32	55.5 Å²	55.5	15%	0.148	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-79.4	-7.1	175.5	-64.4	177.2	0	0	0	112.9	P151 R194 L217 Y218	P151-H220 HydrophobicContact CB-CB 4.44Å; P151-H220 HydrophobicContact CG-CB 3.88Å; R194-H220 HydrophobicContact CB-CB 3.95Å; L217-H220 VanDerWaalsContact CD1-CE1 3.41Å; L217-H220 WeakPolarHBondContact CD1-CE1 3.47Å; L217-H220 WeakPolarHBondContact O-CB 3.37Å; L217-H220 PolarHBondContact O-N 3.44Å; Y218-H220 PolarHBondContact O-N 2.98Å
221	L	98.1	Very high	98	Very high	5 Å²	5	54 Å²	54	3%	0.026	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-125	9.4	-173.7	-76.8	172.8	0	0	0	114	R194 A197 I201 V216 Y218 E219 S223 Y224 I225 L267	R194-L221 HydrophobicContact CB-CD2 4.22Å; R194-L221 HydrophobicContact CB-CG 4.16Å; R194-L221 WeakPolarHBondContact O-CD2 3.09Å; A197-L221 HydrophobicContact CB-CD1 4.03Å; I201-L221 HydrophobicContact CD1-CD1 4.04Å; V216-L221 HydrophobicContact CG1-CD1 3.99Å; Y218-L221 CarbonylContact O-C 3.55Å; Y218-L221 WeakPolarHBondContact O-CA 3.35Å; Y218-L221 PolarHBondContact O-N 3.25Å; E219-L221 PolarHBondContact O-N 3.07Å; L221-S223 PolarHBondContact O-N 2.81Å; L221-Y224 HydrophobicContact CD2-CD1 4.03Å; L221-Y224 HydrophobicContact CD2-CG 4.18Å; L221-Y224 CarbonylContact O-C 3.54Å; L221-Y224 WeakPolarHBondContact O-CA 3.41Å; L221-Y224 VanDerWaalsContact O-CB 3.3Å; L221-Y224 WeakPolarHBondContact O-CB 3.46Å; L221-Y224 PolarHBondContact O-N 2.81Å; L221-I225 HydrophobicContact CB-CD1 3.91Å; L221-I225 HydrophobicContact CB-CG1 4.11Å; L221-I225 PolarHBondContact O-N 2.75Å; L221-L267 HydrophobicContact CD2-CD1 3.64Å
222	E	97.3	Very high	98	Very high	109 Å²	109	55 Å²	55	51%	0.509	28%	0.284	S	S	.	.	H	α-helix	trans	-47.2	-54.4	-174.8	-69.4	-174.1	158.9	0	0	114	Y218 Y224 I225 A226	Y218-E222 PolarHBondContact O-N 2.76Å; E222-Y224 PolarHBondContact O-N 2.65Å; E222-I225 PolarHBondContact O-N 3Å; E222-A226 WeakPolarHBondContact O-CB 3.43Å; E222-A226 PolarHBondContact O-N 3.48Å
223	S	97.9	Very high	98.1	Very high	42 Å²	42	49.8 Å²	49.8	29%	0.294	27%	0.265	S	S	.	.	H	α-helix	trans	-63.7	-28.9	178.7	-81.4	0	0	0	0	113.7	L221 K227 P261	L221-S223 PolarHBondContact O-N 2.81Å; S223-K227 PolarHBondContact O-N 3.02Å; S223-P261 VanDerWaalsContact CB-O 3.29Å; S223-P261 WeakPolarHBondContact CB-O 3.41Å; S223-P261 PolarHBondContact OG-O 3.48Å
224	Y	98.7	Very high	98.1	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-75.2	-48.1	177.5	-173.7	-108.4	0	0	0	110.8	G198 I201 A202 L221 E222 A226 K227 L228 F263 L267 I271	G198-Y224 VanDerWaalsContact CA-CE1 3.49Å; G198-Y224 WeakPolarHBondContact O-CE1 3.28Å; G198-Y224 PolarHBondContact O-OH 3.49Å; I201-Y224 HydrophobicContact CB-CE1 4.35Å; I201-Y224 HydrophobicContact CG2-CE1 4.27Å; A202-Y224 WeakPolarHBondContact CB-OH 3.34Å; L221-Y224 HydrophobicContact CD2-CD1 4.03Å; L221-Y224 HydrophobicContact CD2-CG 4.18Å; L221-Y224 CarbonylContact O-C 3.54Å; L221-Y224 WeakPolarHBondContact O-CA 3.41Å; L221-Y224 VanDerWaalsContact O-CB 3.3Å; L221-Y224 WeakPolarHBondContact O-CB 3.46Å; L221-Y224 PolarHBondContact O-N 2.81Å; E222-Y224 PolarHBondContact O-N 2.65Å; Y224-A226 VanDerWaalsContact C-N 3.35Å; Y224-A226 PolarHBondContact O-N 2.94Å; Y224-K227 PolarHBondContact O-N 3.19Å; Y224-L228 HydrophobicContact CD1-CD1 3.69Å; Y224-L228 HydrophobicContact CD1-CG 4.46Å; Y224-L228 HydrophobicContact CE1-CD1 3.46Å; Y224-L228 VanDerWaalsContact CE1-CD1 3.46Å; Y224-L228 HydrophobicContact CE1-CG 4.28Å; Y224-L228 WeakPolarHBondContact O-CG 3.13Å; Y224-L228 PolarHBondContact O-N 3.13Å; Y224-L228 VanDerWaalsContact O-N 3.09Å; Y224-F263 HydrophobicContact CD2-CD2 4.34Å; Y224-F263 HydrophobicContact CD2-CE1 4.46Å; Y224-F263 AromaticContact CD2-CE2 3.45Å; Y224-F263 HydrophobicContact CD2-CE2 3.45Å; Y224-F263 VanDerWaalsContact CD2-CE2 3.45Å; Y224-F263 AromaticContact CD2-CZ 3.52Å; Y224-F263 HydrophobicContact CD2-CZ 3.52Å; Y224-F263 HydrophobicContact CE2-CE2 4.05Å; Y224-F263 AromaticContact CE2-CZ 3.76Å; Y224-F263 HydrophobicContact CE2-CZ 3.76Å; Y224-F263 HydrophobicContact CG-CE2 4.44Å; Y224-L267 HydrophobicContact CD1-CD1 4.24Å; Y224-L267 HydrophobicContact CD2-CB 3.83Å; Y224-L267 HydrophobicContact CD2-CD1 3.6Å; Y224-L267 HydrophobicContact CD2-CG 4.2Å; Y224-L267 HydrophobicContact CE2-CB 3.74Å; Y224-L267 HydrophobicContact CE2-CD1 4.01Å; Y224-L267 HydrophobicContact CE2-CD2 4.18Å; Y224-L267 HydrophobicContact CE2-CG 4.19Å; Y224-L267 HydrophobicContact CG-CD1 3.73Å; Y224-I271 HydrophobicContact CD2-CD1 4.46Å; Y224-I271 HydrophobicContact CE2-CB 4.01Å; Y224-I271 HydrophobicContact CE2-CD1 3.77Å; Y224-I271 HydrophobicContact CE2-CG1 4.16Å
225	I	98.5	Very high	98.1	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.062	26%	0.261	C	S	.	.	H	α-helix	trans	-58.7	-46.8	176	-67.9	168.2	0	0	0	110.1	L221 E222 K227 L228 E229 M235 I242	L221-I225 HydrophobicContact CB-CD1 3.91Å; L221-I225 HydrophobicContact CB-CG1 4.11Å; L221-I225 PolarHBondContact O-N 2.75Å; E222-I225 PolarHBondContact O-N 3Å; I225-K227 PolarHBondContact O-N 2.98Å; I225-L228 CarbonylContact O-C 3.48Å; I225-L228 WeakPolarHBondContact O-CA 3.46Å; I225-L228 WeakPolarHBondContact O-CB 3.07Å; I225-L228 PolarHBondContact O-N 2.88Å; I225-E229 HydrophobicContact CG2-CG 4.22Å; I225-E229 WeakPolarHBondContact O-CG 3.47Å; I225-E229 PolarHBondContact O-N 3.1Å; I225-M235 HydrophobicContact CG1-SD 4.45Å; I225-M235 HydrophobicContact CG2-SD 4.11Å; I225-I242 HydrophobicContact CD1-CD1 3.83Å; I225-I242 HydrophobicContact CG1-CD1 4.49Å
226	A	98.4	Very high	98.2	Very high	49 Å²	49	49.2 Å²	49.2	41%	0.405	25%	0.252	S	S	.	.	H	α-helix	trans	-57	-36.7	178.1	0	0	0	0	0	112.9	E222 Y224 E230	E222-A226 WeakPolarHBondContact O-CB 3.43Å; E222-A226 PolarHBondContact O-N 3.48Å; Y224-A226 VanDerWaalsContact C-N 3.35Å; Y224-A226 PolarHBondContact O-N 2.94Å; A226-E230 WeakPolarHBondContact O-CB 3.25Å; A226-E230 PolarHBondContact O-N 3.15Å
227	K	98.4	Very high	98.2	Very high	53 Å²	53	51.7 Å²	51.7	23%	0.23	27%	0.267	C	S	.	.	H	α-helix	trans	-72.4	-36.5	175.8	-79.7	-72.1	163.9	-171.2	0	112.8	S223 Y224 I225 E230 M231 S254 V255 F263	S223-K227 PolarHBondContact O-N 3.02Å; Y224-K227 PolarHBondContact O-N 3.19Å; I225-K227 PolarHBondContact O-N 2.98Å; K227-E230 WeakPolarHBondContact CD-OE2 3.44Å; K227-E230 WeakPolarHBondContact CE-OE2 3.43Å; K227-E230 IonicContact NZ-OE1 3.76Å; K227-E230 IonicContact NZ-OE2 2.68Å; K227-E230 PolarHBondContact NZ-OE2 3.34Å; K227-E230 PolarHBondContact O-N 3.49Å; K227-M231 WeakPolarHBondContact O-CG 3.25Å; K227-M231 PolarHBondContact O-N 3.16Å; K227-S254 WeakPolarHBondContact CE-O 3.41Å; K227-S254 PolarHBondContact NZ-O 2.77Å; K227-V255 HydrophobicContact CD-CG2 4.48Å; K227-F263 HydrophobicContact CB-CD2 4.24Å; K227-F263 HydrophobicContact CB-CE2 4.04Å; K227-F263 HydrophobicContact CG-CD2 3.86Å; K227-F263 HydrophobicContact CG-CE2 4.12Å
228	L	98.7	Very high	98.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.7	-41.1	173.9	-66.8	170.4	0	0	0	111.3	I201 Y224 I225 M231 G232 V233 M235 I271 L274	I201-L228 HydrophobicContact CG2-CD1 3.34Å; Y224-L228 HydrophobicContact CD1-CD1 3.69Å; Y224-L228 HydrophobicContact CD1-CG 4.46Å; Y224-L228 HydrophobicContact CE1-CD1 3.46Å; Y224-L228 VanDerWaalsContact CE1-CD1 3.46Å; Y224-L228 HydrophobicContact CE1-CG 4.28Å; Y224-L228 WeakPolarHBondContact O-CG 3.13Å; Y224-L228 PolarHBondContact O-N 3.13Å; Y224-L228 VanDerWaalsContact O-N 3.09Å; I225-L228 CarbonylContact O-C 3.48Å; I225-L228 WeakPolarHBondContact O-CA 3.46Å; I225-L228 WeakPolarHBondContact O-CB 3.07Å; I225-L228 PolarHBondContact O-N 2.88Å; L228-M231 HydrophobicContact CD2-SD 4.39Å; L228-M231 WeakPolarHBondContact O-CB 3.23Å; L228-M231 PolarHBondContact O-N 2.82Å; L228-G232 PolarHBondContact O-N 2.96Å; L228-V233 HydrophobicContact CB-CB 4Å; L228-V233 HydrophobicContact CB-CG2 4.09Å; L228-V233 HydrophobicContact CD2-CG2 4.1Å; L228-V233 VanDerWaalsContact O-CB 3.3Å; L228-V233 WeakPolarHBondContact O-CB 3.33Å; L228-V233 WeakPolarHBondContact O-CG2 3.48Å; L228-V233 PolarHBondContact O-N 3.34Å; L228-M235 HydrophobicContact CB-CE 3.62Å; L228-M235 HydrophobicContact CD1-CE 3.87Å; L228-M235 HydrophobicContact CG-CE 4.41Å; L228-I271 HydrophobicContact CD2-CD1 3.96Å; L228-I271 HydrophobicContact CD2-CG1 4.37Å; L228-L274 HydrophobicContact CD2-CD2 3.41Å; L228-L274 VanDerWaalsContact CD2-CD2 3.41Å
229	E	98.3	Very high	97.8	Very high	115 Å²	115	56.1 Å²	56.1	54%	0.537	29%	0.289	S	S	.	.	H	α-helix	trans	-62.6	-40.5	173.3	-70.1	178.5	158.8	0	0	111.8	I225 M231 G232	I225-E229 HydrophobicContact CG2-CG 4.22Å; I225-E229 WeakPolarHBondContact O-CG 3.47Å; I225-E229 PolarHBondContact O-N 3.1Å; E229-M231 PolarHBondContact O-N 2.86Å; E229-G232 WeakPolarHBondContact O-CA 3.37Å; E229-G232 PolarHBondContact O-N 3.47Å
230	E	98.4	Very high	97.7	Very high	92 Å²	92	55.9 Å²	55.9	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-59.6	-34	174.1	-171.1	-170.2	151.2	0	0	112.2	A226 K227 G232 V253	A226-E230 WeakPolarHBondContact O-CB 3.25Å; A226-E230 PolarHBondContact O-N 3.15Å; K227-E230 WeakPolarHBondContact CD-OE2 3.44Å; K227-E230 WeakPolarHBondContact CE-OE2 3.43Å; K227-E230 IonicContact NZ-OE1 3.76Å; K227-E230 IonicContact NZ-OE2 2.68Å; K227-E230 PolarHBondContact NZ-OE2 3.34Å; K227-E230 PolarHBondContact O-N 3.49Å; E230-G232 PolarHBondContact O-N 3.1Å; E230-V253 HydrophobicContact CB-CG1 4.08Å; E230-V253 HydrophobicContact CG-CG1 3.69Å
231	M	98.6	Very high	97.7	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-72	-18.6	172.8	-64.7	173.8	65.8	0	0	112.9	K227 L228 E229 V233 L250 K251 V253 I271 L274 L275 A278	K227-M231 WeakPolarHBondContact O-CG 3.25Å; K227-M231 PolarHBondContact O-N 3.16Å; L228-M231 HydrophobicContact CD2-SD 4.39Å; L228-M231 WeakPolarHBondContact O-CB 3.23Å; L228-M231 PolarHBondContact O-N 2.82Å; E229-M231 PolarHBondContact O-N 2.86Å; M231-V233 HydrophobicContact CB-CG2 4.28Å; M231-L250 HydrophobicContact CE-CD1 4.24Å; M231-L250 CarbonylContact O-C 3.58Å; M231-L250 WeakPolarHBondContact O-CA 3.24Å; M231-K251 PolarHBondContact O-N 3.29Å; M231-V253 HydrophobicContact CB-CG1 4.36Å; M231-V253 HydrophobicContact CG-CB 4.15Å; M231-V253 HydrophobicContact CG-CG1 3.56Å; M231-V253 HydrophobicContact CG-CG2 3.47Å; M231-V253 VanDerWaalsContact CG-CG2 3.47Å; M231-V253 HydrophobicContact SD-CG2 3.98Å; M231-I271 HydrophobicContact SD-CD1 4.48Å; M231-L274 HydrophobicContact CE-CD2 4.13Å; M231-L274 HydrophobicContact CE-CG 3.83Å; M231-L274 HydrophobicContact SD-CD2 4.35Å; M231-L275 HydrophobicContact CE-CD2 3.75Å; M231-L275 HydrophobicContact SD-CD2 3.56Å; M231-L275 VanDerWaalsContact SD-CD2 3.56Å; M231-A278 HydrophobicContact CE-CB 4.03Å
232	G	98.5	Very high	97.7	Very high	40 Å²	40	54.3 Å²	54.3	41%	0.412	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	16.1	-173.3	0	0	0	0	0	114.4	L228 E229 E230 R234	L228-G232 PolarHBondContact O-N 2.96Å; E229-G232 WeakPolarHBondContact O-CA 3.37Å; E229-G232 PolarHBondContact O-N 3.47Å; E230-G232 PolarHBondContact O-N 3.1Å; G232-R234 PolarHBondContact O-N 2.93Å
233	V	98.7	Very high	97.8	Very high	6 Å²	6	52.2 Å²	52.2	4%	0.036	27%	0.274	C	S	.	.			trans	-66.1	121.7	175.8	-179.6	0	0	0	0	109.4	A205 L228 M231 M235 V244 Q247 L250 L274	A205-V233 HydrophobicContact CB-CG1 3.83Å; A205-V233 HydrophobicContact CB-CG2 4.16Å; L228-V233 HydrophobicContact CB-CB 4Å; L228-V233 HydrophobicContact CB-CG2 4.09Å; L228-V233 HydrophobicContact CD2-CG2 4.1Å; L228-V233 VanDerWaalsContact O-CB 3.3Å; L228-V233 WeakPolarHBondContact O-CB 3.33Å; L228-V233 WeakPolarHBondContact O-CG2 3.48Å; L228-V233 PolarHBondContact O-N 3.34Å; M231-V233 HydrophobicContact CB-CG2 4.28Å; V233-M235 HydrophobicContact CB-CE 4.01Å; V233-M235 HydrophobicContact CG1-CE 3.59Å; V233-V244 HydrophobicContact CG1-CG1 4.3Å; V233-Q247 VanDerWaalsContact CA-OE1 3.32Å; V233-Q247 HydrophobicContact CG1-CG 4.33Å; V233-L250 HydrophobicContact CG2-CD1 4.11Å; V233-L250 HydrophobicContact CG2-CD2 3.88Å; V233-L274 HydrophobicContact CG2-CD2 4.46Å
234	R	98.5	Very high	97.8	Very high	116 Å²	116	50.2 Å²	50.2	44%	0.438	26%	0.26	S	S	.	.			trans	-89.2	120.3	176.9	-63.6	-176.6	-65.7	138.7	8.8	110.2	G232 E245 K246 Q247	G232-R234 PolarHBondContact O-N 2.93Å; R234-E245 HydrophobicContact CB-CB 4.26Å; R234-E245 HydrophobicContact CB-CG 4.41Å; R234-E245 IonicContact CZ-OE2 3.12Å; R234-E245 IonicContact NE-OE2 3.83Å; R234-E245 IonicContact NH1-OE2 2.73Å; R234-E245 PolarHBondContact NH1-OE2 3.42Å; R234-E245 IonicContact NH2-OE2 3.44Å; R234-E245 PolarHBondContact NH2-OE2 3.11Å; R234-E245 PolarHBondContact O-N 3.35Å; R234-E245 VanDerWaalsContact O-N 3.09Å; R234-K246 PolarHBondContact NH2-O 3.08Å; R234-Q247 PolarHBondContact O-NE2 2.66Å
235	M	98.5	Very high	97.8	Very high	27 Å²	27	53 Å²	53	13%	0.133	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	150	176.9	67.6	-170.9	82.4	0	0	110.7	I225 L228 V233 V237 I242 F243 V244	I225-M235 HydrophobicContact CG1-SD 4.45Å; I225-M235 HydrophobicContact CG2-SD 4.11Å; L228-M235 HydrophobicContact CB-CE 3.62Å; L228-M235 HydrophobicContact CD1-CE 3.87Å; L228-M235 HydrophobicContact CG-CE 4.41Å; V233-M235 HydrophobicContact CB-CE 4.01Å; V233-M235 HydrophobicContact CG1-CE 3.59Å; M235-V237 HydrophobicContact CG-CG2 4.21Å; M235-V237 HydrophobicContact SD-CG2 4.41Å; M235-I242 HydrophobicContact CB-CG2 3.97Å; M235-I242 HydrophobicContact CG-CG2 4.2Å; M235-I242 HydrophobicContact SD-CG2 3.95Å; M235-F243 CarbonylContact C-O 3.51Å; M235-F243 WeakPolarHBondContact CA-O 3.42Å; M235-F243 WeakPolarHBondContact CB-O 3.49Å; M235-V244 HydrophobicContact CB-CG2 4.32Å
236	T	98.5	Very high	97.8	Very high	64 Å²	64	57.8 Å²	57.8	39%	0.393	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	112.9	169.7	-54.5	0	0	0	0	107.9	E238 I242 F243	T236-E238 HydrophobicContact CG2-CG 4.29Å; T236-I242 WeakPolarHBondContact O-CA 3.38Å; T236-F243 PolarHBondContact N-O 3.17Å; T236-F243 PolarHBondContact O-N 3.33Å
237	V	98	Very high	97.8	Very high	56 Å²	56	56.7 Å²	56.7	34%	0.339	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	121.5	175.3	-178.1	0	0	0	0	108.6	Y218 M235 I242	Y218-V237 VanDerWaalsContact CB-CG1 3.44Å; Y218-V237 HydrophobicContact CD1-CG1 3.98Å; Y218-V237 HydrophobicContact CD2-CG1 4.13Å; Y218-V237 HydrophobicContact CG-CG1 3.57Å; M235-V237 HydrophobicContact CG-CG2 4.21Å; M235-V237 HydrophobicContact SD-CG2 4.41Å; V237-I242 HydrophobicContact CG1-CG1 4.35Å; V237-I242 HydrophobicContact CG2-CD1 4.36Å; V237-I242 HydrophobicContact CG2-CG1 4.39Å
238	E	96	Very high	97.6	Very high	76 Å²	76	58.4 Å²	58.4	36%	0.355	30%	0.298	S	S	.	.			trans	-112.2	-179.4	173.9	-62.3	175.2	-161.4	0	0	109.2	R212 T236 S241	R212-E238 IonicContact CZ-OE1 3.95Å; R212-E238 IonicContact CZ-OE2 3.33Å; R212-E238 IonicContact NH1-OE1 2.72Å; R212-E238 PolarHBondContact NH1-OE1 3.01Å; R212-E238 IonicContact NH1-OE2 3.21Å; R212-E238 PolarHBondContact NH1-OE2 3.09Å; R212-E238 IonicContact NH2-OE1 2.78Å; R212-E238 PolarHBondContact NH2-OE1 2.84Å; R212-E238 IonicContact NH2-OE2 3.37Å; T236-E238 HydrophobicContact CG2-CG 4.29Å; E238-S241 CarbonylContact C-O 3.57Å; E238-S241 WeakPolarHBondContact CA-O 2.96Å; E238-S241 WeakPolarHBondContact CB-O 3.34Å; E238-S241 PolarHBondContact N-O 2.65Å; E238-S241 PolarHBondContact OE2-OG 2.88Å
239	E	91.3	Very high	97.5	Very high	175 Å²	175	63 Å²	63	82%	0.818	33%	0.326	S	S	*	.	S	Bend	trans	-67.5	-38.4	-174.7	-170.7	175.3	179.6	0	0	112.9
240	D	94.6	Very high	97.5	Very high	99 Å²	99	57.8 Å²	57.8	53%	0.529	30%	0.302	S	S	.	.	S	Bend	trans	-122	4.2	-174.5	70.9	-16.2	0	0	0	113.7	T214 N215 V216	T214-D240 CarbonylContact C-O 3.58Å; N215-D240 WeakPolarHBondContact CA-O 3.3Å; N215-D240 PolarHBondContact N-O 3.37Å; V216-D240 PolarHBondContact N-O 2.79Å; V216-D240 CarbonylContact O-C 3.44Å
241	S	98.2	Very high	97.5	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	160.2	-175.2	64	0	0	0	0	113.3	R212 I213 E238	R212-S241 PolarHBondContact NH1-OG 2.86Å; I213-S241 CarbonylContact O-C 3.57Å; I213-S241 WeakPolarHBondContact O-CA 3.44Å; I213-S241 VanDerWaalsContact O-CB 3.23Å; I213-S241 WeakPolarHBondContact O-CB 3.19Å; E238-S241 CarbonylContact C-O 3.57Å; E238-S241 WeakPolarHBondContact CA-O 2.96Å; E238-S241 WeakPolarHBondContact CB-O 3.34Å; E238-S241 PolarHBondContact N-O 2.65Å; E238-S241 PolarHBondContact OE2-OG 2.88Å
242	I	98.6	Very high	97.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.4	172.8	-60.8	-177.1	0	0	0	108.3	I201 I213 V216 I225 M235 T236 V237 V244	I201-I242 HydrophobicContact CD1-CD1 3.88Å; I213-I242 WeakPolarHBondContact CD1-O 3.4Å; I213-I242 PolarHBondContact N-O 2.95Å; I213-I242 PolarHBondContact O-N 3.32Å; V216-I242 HydrophobicContact CB-CG1 4.44Å; V216-I242 HydrophobicContact CG1-CD1 3.8Å; V216-I242 HydrophobicContact CG1-CG1 4.05Å; I225-I242 HydrophobicContact CD1-CD1 3.83Å; I225-I242 HydrophobicContact CG1-CD1 4.49Å; M235-I242 HydrophobicContact CB-CG2 3.97Å; M235-I242 HydrophobicContact CG-CG2 4.2Å; M235-I242 HydrophobicContact SD-CG2 3.95Å; T236-I242 WeakPolarHBondContact O-CA 3.38Å; V237-I242 HydrophobicContact CG1-CG1 4.35Å; V237-I242 HydrophobicContact CG2-CD1 4.36Å; V237-I242 HydrophobicContact CG2-CG1 4.39Å; I242-V244 HydrophobicContact CG2-CG2 4.14Å
243	F	98.7	Very high	97.5	Very high	66 Å²	66	58.6 Å²	58.6	29%	0.289	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	115.7	171.2	-178.8	-103.4	0	0	0	110	V211 R212 M235 T236 E245	V211-F243 CarbonylContact O-C 3.55Å; V211-F243 WeakPolarHBondContact O-CA 3.47Å; R212-F243 HydrophobicContact CB-CD2 4.08Å; M235-F243 CarbonylContact C-O 3.51Å; M235-F243 WeakPolarHBondContact CA-O 3.42Å; M235-F243 WeakPolarHBondContact CB-O 3.49Å; T236-F243 PolarHBondContact N-O 3.17Å; T236-F243 PolarHBondContact O-N 3.33Å; F243-E245 HydrophobicContact CD1-CG 4.28Å; F243-E245 HydrophobicContact CE1-CG 4Å
244	V	98.7	Very high	97.5	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	117.5	177.5	-178	0	0	0	0	108.4	I201 A204 A205 G210 V211 I213 V233 M235 I242	I201-V244 HydrophobicContact CB-CG2 4.47Å; I201-V244 HydrophobicContact CG1-CG2 4.32Å; I201-V244 HydrophobicContact CG2-CG2 4.05Å; A204-V244 HydrophobicContact CB-CB 3.73Å; A204-V244 HydrophobicContact CB-CG1 3.84Å; A204-V244 HydrophobicContact CB-CG2 4.14Å; A205-V244 HydrophobicContact CB-CG1 4.13Å; G210-V244 CarbonylContact C-O 3.6Å; G210-V244 VanDerWaalsContact CA-O 3.3Å; G210-V244 WeakPolarHBondContact CA-O 3.29Å; V211-V244 PolarHBondContact N-O 3.09Å; V211-V244 PolarHBondContact O-N 3.31Å; I213-V244 HydrophobicContact CD1-CB 4.45Å; I213-V244 HydrophobicContact CD1-CG2 3.69Å; V233-V244 HydrophobicContact CG1-CG1 4.3Å; M235-V244 HydrophobicContact CB-CG2 4.32Å; I242-V244 HydrophobicContact CG2-CG2 4.14Å
245	E	98.4	Very high	97.5	Very high	61 Å²	61	55.7 Å²	55.7	29%	0.285	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-68.1	169.6	179.3	-67.5	-177.1	-139.5	0	0	111.8	R234 F243 Q247	R234-E245 HydrophobicContact CB-CB 4.26Å; R234-E245 HydrophobicContact CB-CG 4.41Å; R234-E245 IonicContact CZ-OE2 3.12Å; R234-E245 IonicContact NE-OE2 3.83Å; R234-E245 IonicContact NH1-OE2 2.73Å; R234-E245 PolarHBondContact NH1-OE2 3.42Å; R234-E245 IonicContact NH2-OE2 3.44Å; R234-E245 PolarHBondContact NH2-OE2 3.11Å; R234-E245 PolarHBondContact O-N 3.35Å; R234-E245 VanDerWaalsContact O-N 3.09Å; F243-E245 HydrophobicContact CD1-CG 4.28Å; F243-E245 HydrophobicContact CE1-CG 4Å; E245-Q247 PolarHBondContact O-N 3.08Å; E245-Q247 PolarHBondContact O-NE2 2.97Å
246	K	98	Very high	97.5	Very high	113 Å²	113	60.7 Å²	60.7	49%	0.491	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-61.3	122.4	160.8	-173.9	166.8	-176.1	160.8	0	109.4	E209 R234	E209-K246 HydrophobicContact CG-CD 4.41Å; E209-K246 IonicContact OE1-NZ 2.74Å; E209-K246 PolarHBondContact OE1-NZ 3.2Å; R234-K246 PolarHBondContact NH2-O 3.08Å
247	Q	98.1	Very high	97.5	Very high	27 Å²	27	57.6 Å²	57.6	13%	0.126	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-83.5	150.9	-178.9	-55.4	-51.9	-39.8	0	0	111.4	A205 V233 R234 E245 L250	A205-Q247 HydrophobicContact CB-CG 4.12Å; A205-Q247 VanDerWaalsContact O-CG 3.27Å; A205-Q247 WeakPolarHBondContact O-CG 3.37Å; V233-Q247 VanDerWaalsContact CA-OE1 3.32Å; V233-Q247 HydrophobicContact CG1-CG 4.33Å; R234-Q247 PolarHBondContact O-NE2 2.66Å; E245-Q247 PolarHBondContact O-N 3.08Å; E245-Q247 PolarHBondContact O-NE2 2.97Å; Q247-L250 HydrophobicContact CB-CD1 4.47Å; Q247-L250 HydrophobicContact CB-CD2 4.25Å; Q247-L250 HydrophobicContact CB-CG 4.47Å
248	S	94.9	Very high	97.4	Very high	89 Å²	89	57 Å²	57	62%	0.622	29%	0.293	S	S	*	.			trans	-106.7	-148.6	170.2	61.6	0	0	0	0	108.7	L250	S248-L250 PolarHBondContact O-N 2.85Å; S248-L250 VanDerWaalsContact O-N 3.15Å
249	V	96	Very high	97.4	Very high	96 Å²	96	55.7 Å²	55.7	58%	0.582	29%	0.291	S	S	*	.	S	Bend	trans	-61	118.1	178.6	179.2	0	0	0	0	110	E279	V249-E279 HydrophobicContact CG1-CB 4.44Å; V249-E279 HydrophobicContact CG1-CG 3.75Å; V249-E279 WeakPolarHBondContact CG1-OE1 3.38Å; V249-E279 WeakPolarHBondContact CG1-OE2 3.31Å
250	L	98.3	Very high	97.8	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.026	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-96.2	152.6	174.3	-60.8	179.3	0	0	0	110.4	M231 V233 Q247 S248 L274 A278 E279	M231-L250 HydrophobicContact CE-CD1 4.24Å; M231-L250 CarbonylContact O-C 3.58Å; M231-L250 WeakPolarHBondContact O-CA 3.24Å; V233-L250 HydrophobicContact CG2-CD1 4.11Å; V233-L250 HydrophobicContact CG2-CD2 3.88Å; Q247-L250 HydrophobicContact CB-CD1 4.47Å; Q247-L250 HydrophobicContact CB-CD2 4.25Å; Q247-L250 HydrophobicContact CB-CG 4.47Å; S248-L250 PolarHBondContact O-N 2.85Å; S248-L250 VanDerWaalsContact O-N 3.15Å; L250-L274 HydrophobicContact CD1-CD1 3.63Å; L250-L274 HydrophobicContact CD1-CG 4.43Å; L250-A278 HydrophobicContact CB-CB 3.93Å; L250-A278 CarbonylContact O-C 3.52Å; L250-A278 WeakPolarHBondContact O-CA 3.49Å; L250-E279 PolarHBondContact O-N 3.35Å
251	K	98.5	Very high	97.9	Very high	136 Å²	136	46.9 Å²	46.9	59%	0.591	25%	0.25	S	C	*	.	B	Isolated β-bridge	trans	-98.9	135.7	177.9	-176.4	-173.9	171	-169.3	0	110.9	M231	M231-K251 PolarHBondContact O-N 3.29Å
252	A	98.6	Very high	97.9	Very high	12 Å²	12	47.6 Å²	47.6	10%	0.099	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-63.7	139.6	173.1	0	0	0	0	0	111.4	A278 E279 G280 Y315	A252-A278 HydrophobicContact CB-CB 4.43Å; A252-E279 WeakPolarHBondContact CB-O 3.38Å; A252-E279 PolarHBondContact N-O 3.26Å; A252-G280 VanDerWaalsContact CB-C 3.45Å; A252-Y315 HydrophobicContact CB-CE2 4.08Å
253	V	98.5	Very high	97.9	Very high	4 Å²	4	48 Å²	48	2%	0.024	26%	0.259	C	S	.	.			trans	-129.6	167.6	-178.9	-62.8	0	0	0	0	110.3	E230 M231 V255 L275 G282 Y315	E230-V253 HydrophobicContact CB-CG1 4.08Å; E230-V253 HydrophobicContact CG-CG1 3.69Å; M231-V253 HydrophobicContact CB-CG1 4.36Å; M231-V253 HydrophobicContact CG-CB 4.15Å; M231-V253 HydrophobicContact CG-CG1 3.56Å; M231-V253 HydrophobicContact CG-CG2 3.47Å; M231-V253 VanDerWaalsContact CG-CG2 3.47Å; M231-V253 HydrophobicContact SD-CG2 3.98Å; V253-V255 HydrophobicContact CG2-CG2 4.38Å; V253-L275 HydrophobicContact CG2-CD2 3.74Å; V253-G282 WeakPolarHBondContact O-CA 3.5Å; V253-Y315 PolarHBondContact N-OH 3.27Å; V253-Y315 VanDerWaalsContact N-OH 3.15Å; V253-Y315 PolarHBondContact O-OH 3.22Å
254	S	98.3	Very high	97.9	Very high	57 Å²	57	45.5 Å²	45.5	40%	0.399	25%	0.251	S	S	.	.			trans	-105.3	135.4	167.6	-66.6	0	0	0	0	110.9	K227 T283	K227-S254 WeakPolarHBondContact CE-O 3.41Å; K227-S254 PolarHBondContact NZ-O 2.77Å; S254-T283 CarbonylContact C-O 3.53Å; S254-T283 VanDerWaalsContact CA-O 3.23Å; S254-T283 WeakPolarHBondContact CA-O 3.5Å; S254-T283 PolarHBondContact OG-N 3.13Å; S254-T283 PolarHBondContact OG-OG1 3.01Å; S254-T283 VanDerWaalsContact OG-OG1 3.1Å
255	V	98.4	Very high	97.8	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.018	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.7	179.3	177.1	0	0	0	0	108.7	K227 V253 F263 L275 T283 I284 L285	K227-V255 HydrophobicContact CD-CG2 4.48Å; V253-V255 HydrophobicContact CG2-CG2 4.38Å; V255-F263 HydrophobicContact CG1-CD1 3.54Å; V255-F263 HydrophobicContact CG1-CD2 4.03Å; V255-F263 HydrophobicContact CG1-CE1 3.5Å; V255-F263 HydrophobicContact CG1-CE2 3.96Å; V255-F263 HydrophobicContact CG1-CG 3.82Å; V255-F263 HydrophobicContact CG1-CZ 3.71Å; V255-L275 HydrophobicContact CG2-CD1 4.2Å; V255-T283 PolarHBondContact N-O 3.42Å; V255-I284 HydrophobicContact CB-CG2 4.41Å; V255-I284 CarbonylContact O-C 3.6Å; V255-I284 VanDerWaalsContact O-CA 3.29Å; V255-I284 WeakPolarHBondContact O-CA 3.34Å; V255-L285 PolarHBondContact O-N 3.23Å
256	K	98.4	Very high	97.8	Very high	132 Å²	132	45.9 Å²	45.9	57%	0.574	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	119.3	172.4	-179.8	-176.8	175	-170.6	0	107.9	L285 T287	K256-L285 CarbonylContact C-O 3.6Å; K256-L285 WeakPolarHBondContact CA-O 3.47Å; K256-L285 HydrophobicContact CD-CD2 4.3Å; K256-L285 HydrophobicContact CG-CB 4.41Å; K256-L285 HydrophobicContact CG-CD2 4.2Å; K256-L285 HydrophobicContact CG-CG 4.44Å; K256-T287 HydrophobicContact CD-CG2 4.39Å; K256-T287 VanDerWaalsContact CE-CG2 3.47Å; K256-T287 HydrophobicContact CG-CG2 3.99Å
257	T	98.4	Very high	97.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-70.9	153.9	177	74.3	0	0	0	0	109.9	F263 Q268 L285 D286 T287	T257-F263 CarbonylContact C-O 3.31Å; T257-F263 WeakPolarHBondContact CA-O 3.31Å; T257-F263 HydrophobicContact CG2-CD1 4.39Å; T257-Q268 HydrophobicContact CG2-CB 3.94Å; T257-Q268 HydrophobicContact CG2-CG 4.3Å; T257-L285 PolarHBondContact N-O 3.33Å; T257-D286 HydrophobicContact CG2-CB 4.12Å; T257-D286 VanDerWaalsContact OG1-CA 3.24Å; T257-D286 WeakPolarHBondContact OG1-CA 3.45Å; T257-D286 PolarHBondContact OG1-OD1 3.08Å; T257-T287 PolarHBondContact O-OG1 3.07Å; T257-T287 PolarHBondContact OG1-N 3.15Å
258	S	97	Very high	97.8	Very high	42 Å²	42	39.3 Å²	39.3	29%	0.294	23%	0.226	S	C	.	.			trans	-162.1	162.6	174	38.4	0	0	0	0	109.4	G262 F263	S258-G262 WeakPolarHBondContact OG-CA 3.22Å; S258-F263 PolarHBondContact N-O 2.64Å
259	P	96.4	Very high	98	Very high	49 Å²	49	35.1 Å²	35.1	32%	0.318	20%	0.197	S	C	.	.	S	Bend	trans	-57.3	151.3	173.7	-22.3	34.8	0	0	0	111.3	V123 G262 I288	V123-P259 HydrophobicContact CB-CB 4.11Å; V123-P259 HydrophobicContact CB-CG 3.95Å; V123-P259 HydrophobicContact CG1-CB 3.86Å; V123-P259 HydrophobicContact CG1-CG 4.26Å; V123-P259 HydrophobicContact CG2-CB 4.36Å; V123-P259 HydrophobicContact CG2-CG 4.18Å; P259-G262 WeakPolarHBondContact O-CA 3.42Å; P259-G262 PolarHBondContact O-N 2.72Å; P259-I288 HydrophobicContact CG-CD1 3.98Å
260	Y	98.3	Very high	98.2	Very high	41 Å²	41	30.5 Å²	30.5	16%	0.161	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	138.7	179.2	-174.9	-89.1	0	0	0	111	R149 E150 P151 E219	R149-Y260 HydrophobicContact CB-CD1 4.13Å; R149-Y260 WeakPolarHBondContact O-CD1 3.46Å; E150-Y260 WeakPolarHBondContact OE1-CB 3.4Å; E150-Y260 PolarHBondContact OE1-N 3.47Å; P151-Y260 HydrophobicContact CG-CD2 4.39Å; P151-Y260 HydrophobicContact CG-CE1 4.4Å; P151-Y260 HydrophobicContact CG-CE2 3.92Å; E219-Y260 PolarHBondContact O-OH 2.93Å
261	P	97.7	Very high	98.2	Very high	49 Å²	49	30.3 Å²	30.3	32%	0.318	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	cis	-83.8	9.9	12.9	35.6	-38.2	0	0	0	115.5	S223	S223-P261 VanDerWaalsContact CB-O 3.29Å; S223-P261 WeakPolarHBondContact CB-O 3.41Å; S223-P261 PolarHBondContact OG-O 3.48Å
262	G	97.9	Very high	98.2	Very high	18 Å²	18	23.8 Å²	23.8	19%	0.186	14%	0.139	C	C	.	.	S	Bend	trans	-66.7	177.2	176.2	0	0	0	0	0	114.6	S258 P259 A264	S258-G262 WeakPolarHBondContact OG-CA 3.22Å; P259-G262 WeakPolarHBondContact O-CA 3.42Å; P259-G262 PolarHBondContact O-N 2.72Å; G262-A264 PolarHBondContact O-N 2.94Å
263	F	98.6	Very high	98.2	Very high	9 Å²	9	23.2 Å²	23.2	4%	0.039	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-64.5	122.7	-178.8	-168.9	-76.2	0	0	0	111.2	Y224 K227 V255 T257 S258 T265 L267 I271	Y224-F263 HydrophobicContact CD2-CD2 4.34Å; Y224-F263 HydrophobicContact CD2-CE1 4.46Å; Y224-F263 AromaticContact CD2-CE2 3.45Å; Y224-F263 HydrophobicContact CD2-CE2 3.45Å; Y224-F263 VanDerWaalsContact CD2-CE2 3.45Å; Y224-F263 AromaticContact CD2-CZ 3.52Å; Y224-F263 HydrophobicContact CD2-CZ 3.52Å; Y224-F263 HydrophobicContact CE2-CE2 4.05Å; Y224-F263 AromaticContact CE2-CZ 3.76Å; Y224-F263 HydrophobicContact CE2-CZ 3.76Å; Y224-F263 HydrophobicContact CG-CE2 4.44Å; K227-F263 HydrophobicContact CB-CD2 4.24Å; K227-F263 HydrophobicContact CB-CE2 4.04Å; K227-F263 HydrophobicContact CG-CD2 3.86Å; K227-F263 HydrophobicContact CG-CE2 4.12Å; V255-F263 HydrophobicContact CG1-CD1 3.54Å; V255-F263 HydrophobicContact CG1-CD2 4.03Å; V255-F263 HydrophobicContact CG1-CE1 3.5Å; V255-F263 HydrophobicContact CG1-CE2 3.96Å; V255-F263 HydrophobicContact CG1-CG 3.82Å; V255-F263 HydrophobicContact CG1-CZ 3.71Å; T257-F263 CarbonylContact C-O 3.31Å; T257-F263 WeakPolarHBondContact CA-O 3.31Å; T257-F263 HydrophobicContact CG2-CD1 4.39Å; S258-F263 PolarHBondContact N-O 2.64Å; F263-T265 PolarHBondContact O-N 2.86Å; F263-L267 HydrophobicContact CE1-CB 4.12Å; F263-L267 HydrophobicContact CZ-CB 4.3Å; F263-I271 HydrophobicContact CE2-CD1 4.17Å; F263-I271 HydrophobicContact CZ-CB 4.48Å; F263-I271 HydrophobicContact CZ-CD1 4.05Å; F263-I271 HydrophobicContact CZ-CG2 3.96Å
264	A	98.3	Very high	98.2	Very high	13 Å²	13	23 Å²	23	11%	0.107	13%	0.134	C	C	.	.			trans	-68.5	130.1	-174.2	0	0	0	0	0	112.6	I195 G262 D266 L267 Q268	I195-A264 HydrophobicContact CD1-CB 4.28Å; G262-A264 PolarHBondContact O-N 2.94Å; A264-D266 PolarHBondContact O-N 2.98Å; A264-L267 HydrophobicContact CB-CB 4.44Å; A264-L267 HydrophobicContact CB-CD1 4.37Å; A264-L267 PolarHBondContact O-N 3.29Å; A264-Q268 PolarHBondContact O-N 3.01Å
265	T	97.5	Very high	98.2	Very high	16 Å²	16	20.3 Å²	20.3	10%	0.098	12%	0.115	C	C	.	.	H	α-helix	trans	-56.5	-30.4	171	173.4	0	0	0	0	112.4	F263 L267 Q268 D286 I288 Y289 R292	F263-T265 PolarHBondContact O-N 2.86Å; T265-L267 VanDerWaalsContact C-N 3.25Å; T265-L267 PolarHBondContact O-N 3.38Å; T265-Q268 VanDerWaalsContact O-CB 3.23Å; T265-Q268 WeakPolarHBondContact O-CB 3.3Å; T265-Q268 PolarHBondContact O-N 3.37Å; T265-D286 WeakPolarHBondContact CB-OD2 3.31Å; T265-D286 PolarHBondContact OG1-OD1 2.98Å; T265-D286 PolarHBondContact OG1-OD2 3.36Å; T265-I288 HydrophobicContact CG2-CB 3.92Å; T265-I288 HydrophobicContact CG2-CG1 4.09Å; T265-I288 HydrophobicContact CG2-CG2 3.95Å; T265-Y289 HydrophobicContact CG2-CD2 4.06Å; T265-Y289 HydrophobicContact CG2-CE2 4.22Å; T265-R292 VanDerWaalsContact C-NH1 3.35Å; T265-R292 PolarHBondContact O-NH1 3.47Å; T265-R292 WeakPolarHBondContact OG1-CD 3.44Å; T265-R292 PolarHBondContact OG1-NH1 3.01Å
266	D	97.7	Very high	98.2	Very high	52 Å²	52	20.2 Å²	20.2	28%	0.278	11%	0.114	S	C	.	.	H	α-helix	trans	-70.5	-20	178.2	-73.7	-22.5	0	0	0	114.1	I195 A264 P270 R292	I195-D266 HydrophobicContact CD1-CB 3.67Å; I195-D266 HydrophobicContact CG1-CB 3.97Å; I195-D266 HydrophobicContact CG2-CB 3.9Å; A264-D266 PolarHBondContact O-N 2.98Å; D266-P270 VanDerWaalsContact O-CD 3.28Å; D266-P270 WeakPolarHBondContact O-CD 3.24Å; D266-R292 IonicContact OD1-CZ 3.42Å; D266-R292 IonicContact OD1-NH1 2.85Å; D266-R292 PolarHBondContact OD1-NH1 3.46Å; D266-R292 IonicContact OD1-NH2 3.71Å; D266-R292 PolarHBondContact OD1-NH2 3.41Å
267	L	98.7	Very high	98.1	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-96.7	-3.9	175.3	-74.4	170.4	0	0	0	113.2	I195 L221 Y224 F263 A264 T265 I271	I195-L267 HydrophobicContact CD1-CD1 4.21Å; I195-L267 HydrophobicContact CD1-CG 3.96Å; I195-L267 HydrophobicContact CG2-CD2 4.03Å; I195-L267 HydrophobicContact CG2-CG 4.3Å; I195-L267 WeakPolarHBondContact O-CD2 3.22Å; L221-L267 HydrophobicContact CD2-CD1 3.64Å; Y224-L267 HydrophobicContact CD1-CD1 4.24Å; Y224-L267 HydrophobicContact CD2-CB 3.83Å; Y224-L267 HydrophobicContact CD2-CD1 3.6Å; Y224-L267 HydrophobicContact CD2-CG 4.2Å; Y224-L267 HydrophobicContact CE2-CB 3.74Å; Y224-L267 HydrophobicContact CE2-CD1 4.01Å; Y224-L267 HydrophobicContact CE2-CD2 4.18Å; Y224-L267 HydrophobicContact CE2-CG 4.19Å; Y224-L267 HydrophobicContact CG-CD1 3.73Å; F263-L267 HydrophobicContact CE1-CB 4.12Å; F263-L267 HydrophobicContact CZ-CB 4.3Å; A264-L267 HydrophobicContact CB-CB 4.44Å; A264-L267 HydrophobicContact CB-CD1 4.37Å; A264-L267 PolarHBondContact O-N 3.29Å; T265-L267 VanDerWaalsContact C-N 3.25Å; T265-L267 PolarHBondContact O-N 3.38Å; L267-I271 WeakPolarHBondContact O-CB 3.19Å; L267-I271 WeakPolarHBondContact O-CG2 3.33Å; L267-I271 PolarHBondContact O-N 2.83Å; L267-I271 VanDerWaalsContact O-N 3.09Å
268	Q	98.3	Very high	98.1	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-60.5	-48.1	177.1	169.7	-85.1	-58.4	0	0	112.1	T257 A264 T265 I271 T272 I284 R292 H295	T257-Q268 HydrophobicContact CG2-CB 3.94Å; T257-Q268 HydrophobicContact CG2-CG 4.3Å; A264-Q268 PolarHBondContact O-N 3.01Å; T265-Q268 VanDerWaalsContact O-CB 3.23Å; T265-Q268 WeakPolarHBondContact O-CB 3.3Å; T265-Q268 PolarHBondContact O-N 3.37Å; Q268-I271 WeakPolarHBondContact O-CG2 3.42Å; Q268-T272 PolarHBondContact NE2-OG1 3.01Å; Q268-T272 PolarHBondContact O-N 3.32Å; Q268-T272 PolarHBondContact O-OG1 3.01Å; Q268-I284 HydrophobicContact CG-CG2 3.5Å; Q268-I284 VanDerWaalsContact CG-CG2 3.5Å; Q268-R292 PolarHBondContact OE1-O 3.43Å; Q268-H295 PolarHBondContact NE2-CE1 3.5Å; Q268-H295 PolarHBondContact NE2-NE2 2.93Å
269	Q	98.7	Very high	98.2	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-73.3	-47.6	-178.6	-49.7	174.1	-94.5	0	0	110.5	I271 T272 P273 R292 H295 D330 R332 A333 A336	Q269-I271 VanDerWaalsContact C-N 3.32Å; Q269-I271 PolarHBondContact O-N 2.95Å; Q269-T272 WeakPolarHBondContact O-CB 3.37Å; Q269-T272 PolarHBondContact O-N 3.14Å; Q269-P273 VanDerWaalsContact O-CD 3.31Å; Q269-P273 WeakPolarHBondContact O-CD 2.78Å; Q269-R292 HydrophobicContact CG-CG 4.22Å; Q269-H295 PolarHBondContact NE2-ND1 3.41Å; Q269-H295 VanDerWaalsContact NE2-ND1 3.15Å; Q269-D330 PolarHBondContact NE2-OD1 3.2Å; Q269-D330 PolarHBondContact NE2-OD2 3.34Å; Q269-D330 PolarHBondContact OE1-OD1 3.49Å; Q269-R332 HydrophobicContact CB-CB 4.19Å; Q269-R332 WeakPolarHBondContact CB-O 3.25Å; Q269-R332 HydrophobicContact CG-CB 4.48Å; Q269-A333 VanDerWaalsContact NE2-CB 3.31Å; Q269-A336 HydrophobicContact CB-CB 4.12Å; Q269-A336 WeakPolarHBondContact O-CB 3.21Å
270	P	98.7	Very high	98.3	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.7	-34.9	177.6	-29.1	38	0	0	0	115.2	T199 D266 T272 P273 R332 A335 I339	T199-P270 HydrophobicContact CG2-CB 4.18Å; D266-P270 VanDerWaalsContact O-CD 3.28Å; D266-P270 WeakPolarHBondContact O-CD 3.24Å; P270-T272 VanDerWaalsContact C-N 3.33Å; P270-P273 WeakPolarHBondContact O-CD 3.41Å; P270-R332 HydrophobicContact CG-CB 4.34Å; P270-A335 HydrophobicContact CG-CB 4.48Å; P270-I339 HydrophobicContact CB-CD1 4.29Å; P270-I339 WeakPolarHBondContact O-CD1 3.42Å
271	I	98.6	Very high	98.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-76.1	-21.6	176.9	-157.6	174.5	0	0	0	112.8	Y224 L228 M231 F263 L267 Q268 Q269 L274 L275	Y224-I271 HydrophobicContact CD2-CD1 4.46Å; Y224-I271 HydrophobicContact CE2-CB 4.01Å; Y224-I271 HydrophobicContact CE2-CD1 3.77Å; Y224-I271 HydrophobicContact CE2-CG1 4.16Å; L228-I271 HydrophobicContact CD2-CD1 3.96Å; L228-I271 HydrophobicContact CD2-CG1 4.37Å; M231-I271 HydrophobicContact SD-CD1 4.48Å; F263-I271 HydrophobicContact CE2-CD1 4.17Å; F263-I271 HydrophobicContact CZ-CB 4.48Å; F263-I271 HydrophobicContact CZ-CD1 4.05Å; F263-I271 HydrophobicContact CZ-CG2 3.96Å; L267-I271 WeakPolarHBondContact O-CB 3.19Å; L267-I271 WeakPolarHBondContact O-CG2 3.33Å; L267-I271 PolarHBondContact O-N 2.83Å; L267-I271 VanDerWaalsContact O-N 3.09Å; Q268-I271 WeakPolarHBondContact O-CG2 3.42Å; Q269-I271 VanDerWaalsContact C-N 3.32Å; Q269-I271 PolarHBondContact O-N 2.95Å; I271-L274 HydrophobicContact CG1-CD2 4.29Å; I271-L274 WeakPolarHBondContact O-CB 3.3Å; I271-L274 PolarHBondContact O-N 3.12Å; I271-L275 HydrophobicContact CG1-CG 4.33Å; I271-L275 HydrophobicContact CG2-CD1 4.05Å; I271-L275 HydrophobicContact CG2-CG 4.41Å; I271-L275 WeakPolarHBondContact O-CG 3.27Å; I271-L275 PolarHBondContact O-N 2.9Å
272	T	98.8	Very high	98.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.4	-44.7	-170.3	-63.7	0	0	0	0	113.3	Q268 Q269 P270 L274 L275 L276 I284 L299 I306	Q268-T272 PolarHBondContact NE2-OG1 3.01Å; Q268-T272 PolarHBondContact O-N 3.32Å; Q268-T272 PolarHBondContact O-OG1 3.01Å; Q269-T272 WeakPolarHBondContact O-CB 3.37Å; Q269-T272 PolarHBondContact O-N 3.14Å; P270-T272 VanDerWaalsContact C-N 3.33Å; T272-L274 VanDerWaalsContact C-N 3.34Å; T272-L274 PolarHBondContact O-N 3.15Å; T272-L275 WeakPolarHBondContact O-CB 3.44Å; T272-L275 PolarHBondContact O-N 3.44Å; T272-L275 VanDerWaalsContact O-N 3.11Å; T272-L276 WeakPolarHBondContact O-CG 3.3Å; T272-L276 PolarHBondContact O-N 3.23Å; T272-I284 HydrophobicContact CG2-CD1 4.07Å; T272-I284 VanDerWaalsContact OG1-CD1 3.25Å; T272-I284 WeakPolarHBondContact OG1-CD1 3.41Å; T272-L299 HydrophobicContact CG2-CD1 3.77Å; T272-I306 HydrophobicContact CG2-CD1 3.57Å
273	P	98.7	Very high	98.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60	-40.1	175.3	-26.1	36.7	0	0	0	113.5	Q269 P270 L275 L276 A336 I339 A340 M343	Q269-P273 VanDerWaalsContact O-CD 3.31Å; Q269-P273 WeakPolarHBondContact O-CD 2.78Å; P270-P273 WeakPolarHBondContact O-CD 3.41Å; P273-L275 VanDerWaalsContact C-N 3.31Å; P273-L275 PolarHBondContact O-N 2.78Å; P273-L276 WeakPolarHBondContact O-CB 3.24Å; P273-L276 PolarHBondContact O-N 2.79Å; P273-L276 VanDerWaalsContact O-N 3.12Å; P273-A336 HydrophobicContact CG-CB 4.07Å; P273-A336 WeakPolarHBondContact CG-O 3.19Å; P273-I339 HydrophobicContact CB-CB 3.95Å; P273-I339 HydrophobicContact CB-CG2 3.68Å; P273-I339 HydrophobicContact CG-CB 3.95Å; P273-I339 HydrophobicContact CG-CG2 4.21Å; P273-A340 HydrophobicContact CB-CB 4.3Å; P273-A340 HydrophobicContact CG-CB 4.29Å; P273-M343 HydrophobicContact CB-SD 3.77Å; P273-M343 WeakPolarHBondContact O-CE 3.33Å
274	L	98.6	Very high	98.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.2	-41.2	173.2	175.6	66.4	0	0	0	111.3	A205 A206 L228 M231 V233 L250 I271 T272 L276 T277	A205-L274 HydrophobicContact CB-CD1 3.7Å; A205-L274 HydrophobicContact CB-CD2 3.75Å; A205-L274 HydrophobicContact CB-CG 4.38Å; A206-L274 HydrophobicContact CB-CB 4.42Å; A206-L274 HydrophobicContact CB-CD1 3.93Å; L228-L274 HydrophobicContact CD2-CD2 3.41Å; L228-L274 VanDerWaalsContact CD2-CD2 3.41Å; M231-L274 HydrophobicContact CE-CD2 4.13Å; M231-L274 HydrophobicContact CE-CG 3.83Å; M231-L274 HydrophobicContact SD-CD2 4.35Å; V233-L274 HydrophobicContact CG2-CD2 4.46Å; L250-L274 HydrophobicContact CD1-CD1 3.63Å; L250-L274 HydrophobicContact CD1-CG 4.43Å; I271-L274 HydrophobicContact CG1-CD2 4.29Å; I271-L274 WeakPolarHBondContact O-CB 3.3Å; I271-L274 PolarHBondContact O-N 3.12Å; T272-L274 VanDerWaalsContact C-N 3.34Å; T272-L274 PolarHBondContact O-N 3.15Å; L274-L276 PolarHBondContact O-N 2.92Å; L274-T277 PolarHBondContact O-N 3.2Å; L274-T277 VanDerWaalsContact O-N 3.08Å; L274-T277 PolarHBondContact O-OG1 3.08Å
275	L	98.7	Very high	98.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-31.6	176.7	-64	176.2	0	0	0	112.2	M231 V253 V255 I271 T272 P273 T277 A278 I284 Y315	M231-L275 HydrophobicContact CE-CD2 3.75Å; M231-L275 HydrophobicContact SD-CD2 3.56Å; M231-L275 VanDerWaalsContact SD-CD2 3.56Å; V253-L275 HydrophobicContact CG2-CD2 3.74Å; V255-L275 HydrophobicContact CG2-CD1 4.2Å; I271-L275 HydrophobicContact CG1-CG 4.33Å; I271-L275 HydrophobicContact CG2-CD1 4.05Å; I271-L275 HydrophobicContact CG2-CG 4.41Å; I271-L275 WeakPolarHBondContact O-CG 3.27Å; I271-L275 PolarHBondContact O-N 2.9Å; T272-L275 WeakPolarHBondContact O-CB 3.44Å; T272-L275 PolarHBondContact O-N 3.44Å; T272-L275 VanDerWaalsContact O-N 3.11Å; P273-L275 VanDerWaalsContact C-N 3.31Å; P273-L275 PolarHBondContact O-N 2.78Å; L275-T277 VanDerWaalsContact C-N 3.25Å; L275-T277 PolarHBondContact O-N 3.48Å; L275-A278 WeakPolarHBondContact O-CB 3.34Å; L275-A278 PolarHBondContact O-N 3.44Å; L275-I284 HydrophobicContact CD1-CD1 3.68Å; L275-I284 HydrophobicContact CD1-CG1 3.9Å; L275-Y315 HydrophobicContact CB-CD2 4.4Å; L275-Y315 HydrophobicContact CB-CE1 3.97Å; L275-Y315 HydrophobicContact CB-CE2 3.86Å; L275-Y315 HydrophobicContact CD1-CE1 3.94Å; L275-Y315 HydrophobicContact CG-CE1 4.41Å; L275-Y315 WeakPolarHBondContact O-CE2 3.49Å
276	L	98.5	Very high	98.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-69.2	-19	178.2	-63.1	175.6	0	0	0	113.6	T272 P273 L274 L299 A304 I306 Y315 P318 N319 L321	T272-L276 WeakPolarHBondContact O-CG 3.3Å; T272-L276 PolarHBondContact O-N 3.23Å; P273-L276 WeakPolarHBondContact O-CB 3.24Å; P273-L276 PolarHBondContact O-N 2.79Å; P273-L276 VanDerWaalsContact O-N 3.12Å; L274-L276 PolarHBondContact O-N 2.92Å; L276-L299 HydrophobicContact CD1-CD1 4.31Å; L276-L299 HydrophobicContact CD1-CD2 4.34Å; L276-A304 HydrophobicContact CD1-CB 3.64Å; L276-A304 HydrophobicContact CD2-CB 4.29Å; L276-I306 HydrophobicContact CD2-CB 4.15Å; L276-I306 HydrophobicContact CD2-CD1 4.28Å; L276-Y315 HydrophobicContact CD2-CD2 4.4Å; L276-Y315 HydrophobicContact CD2-CG 4.46Å; L276-P318 CarbonylContact O-C 3.59Å; L276-P318 WeakPolarHBondContact O-CA 3.14Å; L276-N319 HydrophobicContact CB-CB 4.29Å; L276-N319 PolarHBondContact O-N 3.07Å; L276-N319 PolarHBondContact O-ND2 3.33Å; L276-L321 HydrophobicContact CD1-CD2 4.44Å
277	T	97.1	Very high	98.2	Very high	40 Å²	40	26.3 Å²	26.3	25%	0.245	14%	0.135	C	C	.	.	H	α-helix	trans	-83.3	-17.4	174.9	72	0	0	0	0	112.8	L274 L275 P318 M343	L274-T277 PolarHBondContact O-N 3.2Å; L274-T277 VanDerWaalsContact O-N 3.08Å; L274-T277 PolarHBondContact O-OG1 3.08Å; L275-T277 VanDerWaalsContact C-N 3.25Å; L275-T277 PolarHBondContact O-N 3.48Å; T277-P318 WeakPolarHBondContact O-CB 3.4Å; T277-M343 HydrophobicContact CG2-CE 3.22Å; T277-M343 HydrophobicContact CG2-SD 4.26Å
278	A	98	Very high	98	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-80.7	142.5	-172.5	0	0	0	0	0	112.5	M231 L250 A252 L275 G280 G317	M231-A278 HydrophobicContact CE-CB 4.03Å; L250-A278 HydrophobicContact CB-CB 3.93Å; L250-A278 CarbonylContact O-C 3.52Å; L250-A278 WeakPolarHBondContact O-CA 3.49Å; A252-A278 HydrophobicContact CB-CB 4.43Å; L275-A278 WeakPolarHBondContact O-CB 3.34Å; L275-A278 PolarHBondContact O-N 3.44Å; A278-G280 PolarHBondContact O-N 3.31Å; A278-G317 CarbonylContact O-C 3.17Å; A278-G317 WeakPolarHBondContact O-CA 3.35Å
279	E	98.4	Very high	97.6	Very high	108 Å²	108	32.6 Å²	32.6	51%	0.505	16%	0.163	S	C	.	.	B	Isolated β-bridge	trans	-72.7	126.4	179.2	-68.5	-172.8	174.5	0	0	111.6	V249 L250 A252 P318	V249-E279 HydrophobicContact CG1-CB 4.44Å; V249-E279 HydrophobicContact CG1-CG 3.75Å; V249-E279 WeakPolarHBondContact CG1-OE1 3.38Å; V249-E279 WeakPolarHBondContact CG1-OE2 3.31Å; L250-E279 PolarHBondContact O-N 3.35Å; A252-E279 WeakPolarHBondContact CB-O 3.38Å; A252-E279 PolarHBondContact N-O 3.26Å; E279-P318 HydrophobicContact CG-CG 4.46Å
280	G	98.4	Very high	97.2	Very high	28 Å²	28	40 Å²	40	29%	0.289	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	111.7	-166.9	174.4	0	0	0	0	0	114	A252 A278 Q316 G317	A252-G280 VanDerWaalsContact CB-C 3.45Å; A278-G280 PolarHBondContact O-N 3.31Å; G280-Q316 VanDerWaalsContact C-NE2 3.28Å; G280-Q316 WeakPolarHBondContact O-CA 3.29Å; G280-Q316 PolarHBondContact O-NE2 3.26Å; G280-G317 PolarHBondContact N-O 3.45Å; G280-G317 VanDerWaalsContact N-O 3.16Å; G280-G317 PolarHBondContact O-N 3.46Å
281	R	98.3	Very high	96.8	Very high	203 Å²	203	46.5 Å²	46.5	77%	0.766	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	139.4	-179.5	-66.3	-176.8	179.8	177.2	-3	110.7	Y315 Q316	R281-Y315 WeakPolarHBondContact CA-O 3.32Å; R281-Q316 HydrophobicContact CG-CB 4.37Å
282	G	98.3	Very high	96.7	Very high	5 Å²	5	46.8 Å²	46.8	5%	0.052	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	173.4	173	0	0	0	0	0	112.1	V253 Y315	V253-G282 WeakPolarHBondContact O-CA 3.5Å; G282-Y315 PolarHBondContact N-O 2.88Å; G282-Y315 VanDerWaalsContact N-O 3.07Å; G282-Y315 WeakPolarHBondContact O-CD1 3.47Å; G282-Y315 PolarHBondContact O-N 2.83Å; G282-Y315 VanDerWaalsContact O-N 3.13Å
283	T	98.5	Very high	96.5	Very high	50 Å²	50	48 Å²	48	31%	0.307	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	148.4	177.1	60.8	0	0	0	0	110.8	S254 V255 I313	S254-T283 CarbonylContact C-O 3.53Å; S254-T283 VanDerWaalsContact CA-O 3.23Å; S254-T283 WeakPolarHBondContact CA-O 3.5Å; S254-T283 PolarHBondContact OG-N 3.13Å; S254-T283 PolarHBondContact OG-OG1 3.01Å; S254-T283 VanDerWaalsContact OG-OG1 3.1Å; V255-T283 PolarHBondContact N-O 3.42Å; T283-I313 CarbonylContact C-O 3.54Å; T283-I313 VanDerWaalsContact CA-O 3.25Å; T283-I313 WeakPolarHBondContact CA-O 3.38Å
284	I	98.8	Very high	96.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.7	172.6	-47.9	171.7	0	0	0	107.1	V255 Q268 T272 L275 R312 I313 Y315	V255-I284 HydrophobicContact CB-CG2 4.41Å; V255-I284 CarbonylContact O-C 3.6Å; V255-I284 VanDerWaalsContact O-CA 3.29Å; V255-I284 WeakPolarHBondContact O-CA 3.34Å; Q268-I284 HydrophobicContact CG-CG2 3.5Å; Q268-I284 VanDerWaalsContact CG-CG2 3.5Å; T272-I284 HydrophobicContact CG2-CD1 4.07Å; T272-I284 VanDerWaalsContact OG1-CD1 3.25Å; T272-I284 WeakPolarHBondContact OG1-CD1 3.41Å; L275-I284 HydrophobicContact CD1-CD1 3.68Å; L275-I284 HydrophobicContact CD1-CG1 3.9Å; I284-R312 WeakPolarHBondContact O-CA 3.39Å; I284-I313 HydrophobicContact CB-CB 4.06Å; I284-I313 HydrophobicContact CB-CD1 4.44Å; I284-I313 HydrophobicContact CD1-CB 4.46Å; I284-I313 HydrophobicContact CD1-CD1 4.47Å; I284-I313 HydrophobicContact CD1-CG2 4.44Å; I284-I313 PolarHBondContact N-O 2.95Å; I284-I313 PolarHBondContact O-N 2.98Å; I284-Y315 HydrophobicContact CG1-CD1 4.49Å; I284-Y315 HydrophobicContact CG1-CE1 4.5Å
285	L	98.1	Very high	96.4	Very high	45 Å²	45	51.9 Å²	51.9	24%	0.236	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	112.1	172.6	174.2	62.5	0	0	0	108.6	V255 K256 T257 T287 R312	V255-L285 PolarHBondContact O-N 3.23Å; K256-L285 CarbonylContact C-O 3.6Å; K256-L285 WeakPolarHBondContact CA-O 3.47Å; K256-L285 HydrophobicContact CD-CD2 4.3Å; K256-L285 HydrophobicContact CG-CB 4.41Å; K256-L285 HydrophobicContact CG-CD2 4.2Å; K256-L285 HydrophobicContact CG-CG 4.44Å; T257-L285 PolarHBondContact N-O 3.33Å; L285-T287 HydrophobicContact CD2-CG2 4.09Å; L285-T287 HydrophobicContact CG-CG2 3.97Å; L285-R312 HydrophobicContact CB-CG 4.26Å; L285-R312 HydrophobicContact CD1-CG 3.98Å
286	D	97.3	Very high	96.4	Very high	10 Å²	10	52.1 Å²	52.1	5%	0.053	25%	0.253	C	S	.	.			trans	-89.6	108.3	170.5	-161	-32.1	0	0	0	110.1	T257 T265 I288 Y289	T257-D286 HydrophobicContact CG2-CB 4.12Å; T257-D286 VanDerWaalsContact OG1-CA 3.24Å; T257-D286 WeakPolarHBondContact OG1-CA 3.45Å; T257-D286 PolarHBondContact OG1-OD1 3.08Å; T265-D286 WeakPolarHBondContact CB-OD2 3.31Å; T265-D286 PolarHBondContact OG1-OD1 2.98Å; T265-D286 PolarHBondContact OG1-OD2 3.36Å; D286-I288 PolarHBondContact OD1-N 3.12Å; D286-Y289 PolarHBondContact OD1-N 2.81Å
287	T	95	Very high	96.3	Very high	60 Å²	60	55 Å²	55	37%	0.368	28%	0.276	S	S	.	.	S	Bend	trans	-88.6	-5.8	177.9	71.6	0	0	0	0	113.5	K256 T257 L285	K256-T287 HydrophobicContact CD-CG2 4.39Å; K256-T287 VanDerWaalsContact CE-CG2 3.47Å; K256-T287 HydrophobicContact CG-CG2 3.99Å; T257-T287 PolarHBondContact O-OG1 3.07Å; T257-T287 PolarHBondContact OG1-N 3.15Å; L285-T287 HydrophobicContact CD2-CG2 4.09Å; L285-T287 HydrophobicContact CG-CG2 3.97Å
288	I	93.2	Very high	96.4	Very high	67 Å²	67	54.6 Å²	54.6	34%	0.344	27%	0.272	S	S	.	.	S	Bend	trans	-96.1	-48.1	179.7	-49.8	-57.7	0	0	0	109.3	P259 T265 D286	P259-I288 HydrophobicContact CG-CD1 3.98Å; T265-I288 HydrophobicContact CG2-CB 3.92Å; T265-I288 HydrophobicContact CG2-CG1 4.09Å; T265-I288 HydrophobicContact CG2-CG2 3.95Å; D286-I288 PolarHBondContact OD1-N 3.12Å
289	Y	91.7	Very high	96.4	Very high	67 Å²	67	54.6 Å²	54.6	26%	0.263	27%	0.272	S	S	.	.			trans	-129.3	86.7	178	-65.1	-64	0	0	0	110.7	L78 R81 T265 D286 K291 R292	L78-Y289 HydrophobicContact CB-CD1 4.33Å; L78-Y289 HydrophobicContact CB-CG 4.42Å; R81-Y289 HydrophobicContact CG-CE1 3.88Å; T265-Y289 HydrophobicContact CG2-CD2 4.06Å; T265-Y289 HydrophobicContact CG2-CE2 4.22Å; D286-Y289 PolarHBondContact OD1-N 2.81Å; Y289-K291 PolarHBondContact O-N 2.96Å; Y289-R292 WeakPolarHBondContact O-CB 3.11Å; Y289-R292 PolarHBondContact O-N 2.9Å
290	E	90.1	Very high	96.4	Very high	155 Å²	155	52.9 Å²	52.9	72%	0.724	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-26.3	-176.3	-61.6	-177.9	171.1	0	0	114
291	K	90.5	Very high	96.4	Very high	137 Å²	137	58.6 Å²	58.6	60%	0.596	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	8	-179.4	-61.8	-173.1	-179.3	-178.4	0	113.7	Y289 T293	Y289-K291 PolarHBondContact O-N 2.96Å; K291-T293 PolarHBondContact O-N 3.36Å
292	R	94.8	Very high	96.4	Very high	7 Å²	7	49 Å²	49	3%	0.026	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	56.1	178	-166.4	170.4	-163.5	169.1	4.2	111.9	L78 T265 D266 Q268 Q269 Y289 H295 R332	L78-R292 HydrophobicContact CD2-CG 4.11Å; T265-R292 VanDerWaalsContact C-NH1 3.35Å; T265-R292 PolarHBondContact O-NH1 3.47Å; T265-R292 WeakPolarHBondContact OG1-CD 3.44Å; T265-R292 PolarHBondContact OG1-NH1 3.01Å; D266-R292 IonicContact OD1-CZ 3.42Å; D266-R292 IonicContact OD1-NH1 2.85Å; D266-R292 PolarHBondContact OD1-NH1 3.46Å; D266-R292 IonicContact OD1-NH2 3.71Å; D266-R292 PolarHBondContact OD1-NH2 3.41Å; Q268-R292 PolarHBondContact OE1-O 3.43Å; Q269-R292 HydrophobicContact CG-CG 4.22Å; Y289-R292 WeakPolarHBondContact O-CB 3.11Å; Y289-R292 PolarHBondContact O-N 2.9Å; R292-H295 PolarHBondContact O-CE1 3.36Å; R292-H295 VanDerWaalsContact O-CE1 3.28Å; R292-R332 VanDerWaalsContact NH2-CG 3.25Å
293	T	96.5	Very high	96.4	Very high	25 Å²	25	50.9 Å²	50.9	15%	0.153	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	1.2	-169.9	59.7	0	0	0	0	113.4	K291 H295 V296 I308 I313	K291-T293 PolarHBondContact O-N 3.36Å; T293-H295 VanDerWaalsContact C-N 3.27Å; T293-H295 PolarHBondContact O-N 2.99Å; T293-V296 WeakPolarHBondContact O-CB 3.48Å; T293-V296 VanDerWaalsContact O-CG2 3.22Å; T293-V296 WeakPolarHBondContact O-CG2 3.49Å; T293-V296 PolarHBondContact O-N 3.42Å; T293-I308 HydrophobicContact CG2-CD1 4.34Å; T293-I308 WeakPolarHBondContact OG1-CD1 3.43Å; T293-I313 HydrophobicContact CG2-CD1 4.02Å; T293-I313 HydrophobicContact CG2-CG1 3.88Å
294	K	95.8	Very high	96.4	Very high	82 Å²	82	48.8 Å²	48.8	36%	0.357	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.7	-171.7	-71.8	179.2	176.4	169.7	0	114.6	D77 V296 A297 S329	D77-K294 VanDerWaalsContact CG-NZ 3.26Å; D77-K294 PolarHBondContact O-NZ 3.37Å; D77-K294 IonicContact OD2-NZ 3.61Å; D77-K294 PolarHBondContact OD2-NZ 3.28Å; K294-V296 PolarHBondContact O-N 2.85Å; K294-A297 PolarHBondContact O-N 3.31Å; K294-S329 VanDerWaalsContact CB-OG 3.26Å; K294-S329 WeakPolarHBondContact CB-OG 3.43Å
295	H	97.8	Very high	96.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.9	-23.5	172.4	60.6	-68	0	0	0	113.9	Q268 Q269 R292 T293 A297 E298 L299 A333	Q268-H295 PolarHBondContact NE2-CE1 3.5Å; Q268-H295 PolarHBondContact NE2-NE2 2.93Å; Q269-H295 PolarHBondContact NE2-ND1 3.41Å; Q269-H295 VanDerWaalsContact NE2-ND1 3.15Å; R292-H295 PolarHBondContact O-CE1 3.36Å; R292-H295 VanDerWaalsContact O-CE1 3.28Å; T293-H295 VanDerWaalsContact C-N 3.27Å; T293-H295 PolarHBondContact O-N 2.99Å; H295-A297 PolarHBondContact O-N 2.8Å; H295-E298 PolarHBondContact O-N 3.48Å; H295-L299 WeakPolarHBondContact O-CG 3.45Å; H295-L299 PolarHBondContact O-N 2.79Å; H295-A333 HydrophobicContact CB-CB 3.88Å
296	V	98.4	Very high	96.5	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.03	27%	0.267	C	S	.	.	H	α-helix	trans	-60.8	-46.2	-179.8	174.2	0	0	0	0	111.4	T293 K294 E298 L299 V300 I306 I308 I313	T293-V296 WeakPolarHBondContact O-CB 3.48Å; T293-V296 VanDerWaalsContact O-CG2 3.22Å; T293-V296 WeakPolarHBondContact O-CG2 3.49Å; T293-V296 PolarHBondContact O-N 3.42Å; K294-V296 PolarHBondContact O-N 2.85Å; V296-E298 VanDerWaalsContact C-N 3.28Å; V296-E298 PolarHBondContact O-N 3.4Å; V296-L299 PolarHBondContact O-N 3.21Å; V296-V300 WeakPolarHBondContact O-CG2 3.19Å; V296-V300 PolarHBondContact O-N 3.37Å; V296-I306 HydrophobicContact CG1-CG1 4.1Å; V296-I306 HydrophobicContact CG1-CG2 4.13Å; V296-I306 HydrophobicContact CG2-CD1 4.21Å; V296-I306 HydrophobicContact CG2-CG1 4.43Å; V296-I308 HydrophobicContact CB-CD1 4.4Å; V296-I308 HydrophobicContact CB-CG1 4.29Å; V296-I308 HydrophobicContact CG1-CG1 4.09Å; V296-I308 HydrophobicContact CG2-CG1 4.25Å; V296-I313 HydrophobicContact CG2-CB 4.39Å; V296-I313 HydrophobicContact CG2-CD1 3.74Å; V296-I313 HydrophobicContact CG2-CG1 3.88Å; V296-I313 HydrophobicContact CG2-CG2 3.65Å
297	A	97.8	Very high	96.5	Very high	59 Å²	59	53.3 Å²	53.3	49%	0.488	28%	0.281	S	S	.	.	H	α-helix	trans	-63.4	-37	-179.2	0	0	0	0	0	111.9	K294 H295 V300 R301	K294-A297 PolarHBondContact O-N 3.31Å; H295-A297 PolarHBondContact O-N 2.8Å; A297-V300 PolarHBondContact O-N 2.75Å; A297-R301 WeakPolarHBondContact O-CG 3.49Å; A297-R301 PolarHBondContact O-N 2.88Å
298	E	98.6	Very high	96.6	Very high	32 Å²	32	54.6 Å²	54.6	15%	0.15	29%	0.285	C	S	.	.	H	α-helix	trans	-71.3	-38.6	177.6	-60.5	-57.6	126.3	0	0	111.8	H295 V296 V300 R301 M302 V326 K327 L337	H295-E298 PolarHBondContact O-N 3.48Å; V296-E298 VanDerWaalsContact C-N 3.28Å; V296-E298 PolarHBondContact O-N 3.4Å; E298-V300 PolarHBondContact O-N 3.44Å; E298-R301 WeakPolarHBondContact O-CB 3.45Å; E298-R301 PolarHBondContact O-N 3.48Å; E298-M302 PolarHBondContact O-N 3.06Å; E298-V326 HydrophobicContact CB-CB 4.28Å; E298-V326 HydrophobicContact CB-CG1 4.28Å; E298-V326 WeakPolarHBondContact OE2-CA 3.37Å; E298-V326 WeakPolarHBondContact OE2-CB 3.34Å; E298-K327 PolarHBondContact OE2-N 3.37Å; E298-L337 HydrophobicContact CB-CD1 4.09Å; E298-L337 HydrophobicContact CB-CD2 3.66Å; E298-L337 HydrophobicContact CB-CG 4.49Å; E298-L337 HydrophobicContact CG-CD1 4.34Å
299	L	98.8	Very high	96.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.3	-37.4	172.9	-70.1	169.5	0	0	0	112.2	T272 L276 H295 V296 R301 M302 G303 A304 I306 L337 A340	T272-L299 HydrophobicContact CG2-CD1 3.77Å; L276-L299 HydrophobicContact CD1-CD1 4.31Å; L276-L299 HydrophobicContact CD1-CD2 4.34Å; H295-L299 WeakPolarHBondContact O-CG 3.45Å; H295-L299 PolarHBondContact O-N 2.79Å; V296-L299 PolarHBondContact O-N 3.21Å; L299-R301 VanDerWaalsContact C-N 3.27Å; L299-R301 PolarHBondContact O-N 2.99Å; L299-M302 CarbonylContact O-C 3.51Å; L299-M302 WeakPolarHBondContact O-CA 3.2Å; L299-M302 WeakPolarHBondContact O-CB 3.35Å; L299-M302 PolarHBondContact O-N 3.34Å; L299-G303 PolarHBondContact O-N 2.82Å; L299-A304 HydrophobicContact CB-CB 4.06Å; L299-A304 VanDerWaalsContact O-CB 3.24Å; L299-A304 WeakPolarHBondContact O-CB 3.47Å; L299-A304 PolarHBondContact O-N 2.97Å; L299-A304 VanDerWaalsContact O-N 3.1Å; L299-I306 HydrophobicContact CB-CG2 4.03Å; L299-I306 HydrophobicContact CD1-CD1 4.22Å; L299-L337 HydrophobicContact CD2-CD2 4.28Å; L299-L337 HydrophobicContact CG-CD2 4.42Å; L299-A340 HydrophobicContact CD2-CB 3.5Å; L299-A340 VanDerWaalsContact CD2-CB 3.5Å
300	V	98.5	Very high	96.7	Very high	73 Å²	73	56.5 Å²	56.5	44%	0.442	32%	0.323	S	S	.	.	H	α-helix	trans	-60.2	-38.2	172.8	169.8	0	0	0	0	111.1	V296 A297 E298 M302 G303 I306	V296-V300 WeakPolarHBondContact O-CG2 3.19Å; V296-V300 PolarHBondContact O-N 3.37Å; A297-V300 PolarHBondContact O-N 2.75Å; E298-V300 PolarHBondContact O-N 3.44Å; V300-M302 PolarHBondContact O-N 2.82Å; V300-G303 PolarHBondContact O-N 3.23Å; V300-I306 HydrophobicContact CG2-CG2 3.8Å; V300-I306 WeakPolarHBondContact CG2-O 3.28Å
301	R	98.3	Very high	96.7	Very high	147 Å²	147	51.4 Å²	51.4	56%	0.555	31%	0.312	S	S	*	.	H	α-helix	trans	-62.3	-28.4	174.9	-67.9	170.1	62.3	135.3	0.7	112.7	A297 E298 L299 G303 P325	A297-R301 WeakPolarHBondContact O-CG 3.49Å; A297-R301 PolarHBondContact O-N 2.88Å; E298-R301 WeakPolarHBondContact O-CB 3.45Å; E298-R301 PolarHBondContact O-N 3.48Å; L299-R301 VanDerWaalsContact C-N 3.27Å; L299-R301 PolarHBondContact O-N 2.99Å; R301-G303 PolarHBondContact O-N 3.46Å; R301-P325 PolarHBondContact NE-O 2.83Å; R301-P325 PolarHBondContact NH2-O 3.13Å
302	M	98.7	Very high	97	Very high	1 Å²	1	51 Å²	51	1%	0.005	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	6.5	173.6	-57.9	179.2	71.7	0	0	113	E298 L299 V300 L321 T322 A324 V326 L337 A340 A344 T348	E298-M302 PolarHBondContact O-N 3.06Å; L299-M302 CarbonylContact O-C 3.51Å; L299-M302 WeakPolarHBondContact O-CA 3.2Å; L299-M302 WeakPolarHBondContact O-CB 3.35Å; L299-M302 PolarHBondContact O-N 3.34Å; V300-M302 PolarHBondContact O-N 2.82Å; M302-L321 CarbonylContact O-C 3.51Å; M302-L321 WeakPolarHBondContact O-CA 3.32Å; M302-T322 WeakPolarHBondContact CA-O 3.11Å; M302-T322 WeakPolarHBondContact CB-O 3.29Å; M302-T322 PolarHBondContact O-N 3.29Å; M302-A324 HydrophobicContact CG-CB 4.26Å; M302-V326 HydrophobicContact CG-CG1 3.85Å; M302-V326 HydrophobicContact SD-CG1 4.08Å; M302-L337 HydrophobicContact SD-CD2 4.42Å; M302-A340 HydrophobicContact CE-CB 3.9Å; M302-A340 HydrophobicContact SD-CB 3.85Å; M302-A344 HydrophobicContact CE-CB 3.78Å; M302-T348 HydrophobicContact CE-CG2 3.91Å; M302-T348 WeakPolarHBondContact CE-OG1 3.41Å; M302-T348 HydrophobicContact SD-CG2 4.47Å
303	G	98.1	Very high	97.2	Very high	45 Å²	45	50.9 Å²	50.9	46%	0.464	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	12.7	176.7	0	0	0	0	0	115.4	L299 V300 R301	L299-G303 PolarHBondContact O-N 2.82Å; V300-G303 PolarHBondContact O-N 3.23Å; R301-G303 PolarHBondContact O-N 3.46Å
304	A	98.6	Very high	97.3	Very high	7 Å²	7	51.1 Å²	51.1	6%	0.058	31%	0.311	C	S	.	.			trans	-72.3	136.2	177.9	0	0	0	0	0	113	L276 L299 I306 L321	L276-A304 HydrophobicContact CD1-CB 3.64Å; L276-A304 HydrophobicContact CD2-CB 4.29Å; L299-A304 HydrophobicContact CB-CB 4.06Å; L299-A304 VanDerWaalsContact O-CB 3.24Å; L299-A304 WeakPolarHBondContact O-CB 3.47Å; L299-A304 PolarHBondContact O-N 2.97Å; L299-A304 VanDerWaalsContact O-N 3.1Å; A304-I306 VanDerWaalsContact C-N 3.31Å; A304-I306 HydrophobicContact CB-CB 4.45Å; A304-I306 HydrophobicContact CB-CG2 3.65Å; A304-I306 PolarHBondContact O-N 3.21Å; A304-I306 VanDerWaalsContact O-N 3.08Å; A304-L321 HydrophobicContact CB-CD2 3.75Å
305	D	98.5	Very high	97.4	Very high	93 Å²	93	47.5 Å²	47.5	50%	0.497	30%	0.295	S	S	.	.			trans	-80.1	79.4	166.1	-169.9	-4.9	0	0	0	109.9	Y315 Q316 N319	D305-Y315 WeakPolarHBondContact O-CA 3.41Å; D305-Q316 HydrophobicContact CB-CB 4.37Å; D305-Q316 PolarHBondContact O-N 3.06Å; D305-N319 PolarHBondContact N-OD1 3.34Å
306	I	98.8	Very high	97.5	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	139.4	-178.6	-169.3	172.9	0	0	0	110	T272 L276 V296 L299 V300 A304 I313 A314	T272-I306 HydrophobicContact CG2-CD1 3.57Å; L276-I306 HydrophobicContact CD2-CB 4.15Å; L276-I306 HydrophobicContact CD2-CD1 4.28Å; V296-I306 HydrophobicContact CG1-CG1 4.1Å; V296-I306 HydrophobicContact CG1-CG2 4.13Å; V296-I306 HydrophobicContact CG2-CD1 4.21Å; V296-I306 HydrophobicContact CG2-CG1 4.43Å; L299-I306 HydrophobicContact CB-CG2 4.03Å; L299-I306 HydrophobicContact CD1-CD1 4.22Å; V300-I306 HydrophobicContact CG2-CG2 3.8Å; V300-I306 WeakPolarHBondContact CG2-O 3.28Å; A304-I306 VanDerWaalsContact C-N 3.31Å; A304-I306 HydrophobicContact CB-CB 4.45Å; A304-I306 HydrophobicContact CB-CG2 3.65Å; A304-I306 PolarHBondContact O-N 3.21Å; A304-I306 VanDerWaalsContact O-N 3.08Å; I306-I313 HydrophobicContact CD1-CG2 3.55Å; I306-I313 HydrophobicContact CG1-CG2 3.47Å; I306-I313 VanDerWaalsContact CG1-CG2 3.47Å; I306-A314 CarbonylContact C-O 3.57Å; I306-A314 WeakPolarHBondContact CA-O 3.42Å
307	S	98.4	Very high	97.4	Very high	51 Å²	51	50 Å²	50	36%	0.357	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	165.3	-176.9	62.1	0	0	0	0	112	I313 A314	S307-I313 CarbonylContact O-C 3.6Å; S307-I313 WeakPolarHBondContact O-CA 3.34Å; S307-A314 PolarHBondContact N-O 3.32Å; S307-A314 PolarHBondContact O-N 3.36Å
308	I	97.7	Very high	97.4	Very high	87 Å²	87	51.5 Å²	51.5	45%	0.446	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.5	173.8	-56.2	164.9	0	0	0	108.2	T293 V296 R312	T293-I308 HydrophobicContact CG2-CD1 4.34Å; T293-I308 WeakPolarHBondContact OG1-CD1 3.43Å; V296-I308 HydrophobicContact CB-CD1 4.4Å; V296-I308 HydrophobicContact CB-CG1 4.29Å; V296-I308 HydrophobicContact CG1-CG1 4.09Å; V296-I308 HydrophobicContact CG2-CG1 4.25Å; I308-R312 CarbonylContact C-O 3.42Å; I308-R312 WeakPolarHBondContact CA-O 3.34Å
309	V	94.9	Very high	97.3	Very high	92 Å²	92	51.2 Å²	51.2	56%	0.558	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	119.1	179.9	-173.3	0	0	0	0	109	G311 R312	V309-G311 VanDerWaalsContact C-N 3.32Å; V309-G311 PolarHBondContact O-N 2.92Å; V309-R312 PolarHBondContact N-O 3.35Å; V309-R312 PolarHBondContact O-N 3.4Å
310	G	91.4	Very high	97.2	Very high	83 Å²	83	59.3 Å²	59.3	86%	0.856	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	38.8	175.2	0	0	0	0	0	114.4	R312	G310-R312 PolarHBondContact O-N 3.47Å
311	G	90.5	Very high	97.2	Very high	48 Å²	48	56 Å²	56	50%	0.495	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	7.8	-178.4	0	0	0	0	0	114.8	V309	V309-G311 VanDerWaalsContact C-N 3.32Å; V309-G311 PolarHBondContact O-N 2.92Å
312	R	96.8	Very high	97.2	Very high	129 Å²	129	52.9 Å²	52.9	49%	0.487	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	149.7	173.5	-63.7	177.3	-178.1	155.9	1.4	109.8	I284 L285 I308 V309 G310	I284-R312 WeakPolarHBondContact O-CA 3.39Å; L285-R312 HydrophobicContact CB-CG 4.26Å; L285-R312 HydrophobicContact CD1-CG 3.98Å; I308-R312 CarbonylContact C-O 3.42Å; I308-R312 WeakPolarHBondContact CA-O 3.34Å; V309-R312 PolarHBondContact N-O 3.35Å; V309-R312 PolarHBondContact O-N 3.4Å; G310-R312 PolarHBondContact O-N 3.47Å
313	I	98.5	Very high	97.1	Very high	4 Å²	4	54 Å²	54	2%	0.021	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	122.2	164.3	-51.6	171.1	0	0	0	106.6	T283 I284 T293 V296 I306 S307	T283-I313 CarbonylContact C-O 3.54Å; T283-I313 VanDerWaalsContact CA-O 3.25Å; T283-I313 WeakPolarHBondContact CA-O 3.38Å; I284-I313 HydrophobicContact CB-CB 4.06Å; I284-I313 HydrophobicContact CB-CD1 4.44Å; I284-I313 HydrophobicContact CD1-CB 4.46Å; I284-I313 HydrophobicContact CD1-CD1 4.47Å; I284-I313 HydrophobicContact CD1-CG2 4.44Å; I284-I313 PolarHBondContact N-O 2.95Å; I284-I313 PolarHBondContact O-N 2.98Å; T293-I313 HydrophobicContact CG2-CD1 4.02Å; T293-I313 HydrophobicContact CG2-CG1 3.88Å; V296-I313 HydrophobicContact CG2-CB 4.39Å; V296-I313 HydrophobicContact CG2-CD1 3.74Å; V296-I313 HydrophobicContact CG2-CG1 3.88Å; V296-I313 HydrophobicContact CG2-CG2 3.65Å; I306-I313 HydrophobicContact CD1-CG2 3.55Å; I306-I313 HydrophobicContact CG1-CG2 3.47Å; I306-I313 VanDerWaalsContact CG1-CG2 3.47Å; S307-I313 CarbonylContact O-C 3.6Å; S307-I313 WeakPolarHBondContact O-CA 3.34Å
314	A	98.6	Very high	97.1	Very high	29 Å²	29	52.6 Å²	52.6	24%	0.24	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.3	173.1	0	0	0	0	0	108.7	I306 S307	I306-A314 CarbonylContact C-O 3.57Å; I306-A314 WeakPolarHBondContact CA-O 3.42Å; S307-A314 PolarHBondContact N-O 3.32Å; S307-A314 PolarHBondContact O-N 3.36Å
315	Y	98.6	Very high	97.1	Very high	7 Å²	7	56 Å²	56	3%	0.027	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	155.9	178.7	74.4	-90.3	0	0	0	111.3	A252 V253 L275 L276 R281 G282 I284 D305	A252-Y315 HydrophobicContact CB-CE2 4.08Å; V253-Y315 PolarHBondContact N-OH 3.27Å; V253-Y315 VanDerWaalsContact N-OH 3.15Å; V253-Y315 PolarHBondContact O-OH 3.22Å; L275-Y315 HydrophobicContact CB-CD2 4.4Å; L275-Y315 HydrophobicContact CB-CE1 3.97Å; L275-Y315 HydrophobicContact CB-CE2 3.86Å; L275-Y315 HydrophobicContact CD1-CE1 3.94Å; L275-Y315 HydrophobicContact CG-CE1 4.41Å; L275-Y315 WeakPolarHBondContact O-CE2 3.49Å; L276-Y315 HydrophobicContact CD2-CD2 4.4Å; L276-Y315 HydrophobicContact CD2-CG 4.46Å; R281-Y315 WeakPolarHBondContact CA-O 3.32Å; G282-Y315 PolarHBondContact N-O 2.88Å; G282-Y315 VanDerWaalsContact N-O 3.07Å; G282-Y315 WeakPolarHBondContact O-CD1 3.47Å; G282-Y315 PolarHBondContact O-N 2.83Å; G282-Y315 VanDerWaalsContact O-N 3.13Å; I284-Y315 HydrophobicContact CG1-CD1 4.49Å; I284-Y315 HydrophobicContact CG1-CE1 4.5Å; D305-Y315 WeakPolarHBondContact O-CA 3.41Å
316	Q	98.4	Very high	97.1	Very high	54 Å²	54	51.8 Å²	51.8	25%	0.252	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.3	173.2	168.6	75.2	69.8	0	0	108.3	G280 R281 D305 N319	G280-Q316 VanDerWaalsContact C-NE2 3.28Å; G280-Q316 WeakPolarHBondContact O-CA 3.29Å; G280-Q316 PolarHBondContact O-NE2 3.26Å; R281-Q316 HydrophobicContact CG-CB 4.37Å; D305-Q316 HydrophobicContact CB-CB 4.37Å; D305-Q316 PolarHBondContact O-N 3.06Å; Q316-N319 PolarHBondContact O-ND2 2.78Å
317	G	96.6	Very high	97.1	Very high	4 Å²	4	56.4 Å²	56.4	4%	0.041	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	173.1	171.7	0	0	0	0	0	112.8	A278 G280	A278-G317 CarbonylContact O-C 3.17Å; A278-G317 WeakPolarHBondContact O-CA 3.35Å; G280-G317 PolarHBondContact N-O 3.45Å; G280-G317 VanDerWaalsContact N-O 3.16Å; G280-G317 PolarHBondContact O-N 3.46Å
318	P	97.5	Very high	97	Very high	89 Å²	89	54 Å²	54	58%	0.578	32%	0.322	S	S	*	.			cis	-81.3	144.6	3	32.8	-33.5	0	0	0	112.2	L276 T277 E279	L276-P318 CarbonylContact O-C 3.59Å; L276-P318 WeakPolarHBondContact O-CA 3.14Å; T277-P318 WeakPolarHBondContact O-CB 3.4Å; E279-P318 HydrophobicContact CG-CG 4.46Å
319	N	96.9	Very high	96.8	Very high	27 Å²	27	51.1 Å²	51.1	14%	0.144	31%	0.309	C	S	.	.			trans	-102.5	149	175.1	-68.6	-91.6	0	0	0	111.2	L276 D305 Q316 L321	L276-N319 HydrophobicContact CB-CB 4.29Å; L276-N319 PolarHBondContact O-N 3.07Å; L276-N319 PolarHBondContact O-ND2 3.33Å; D305-N319 PolarHBondContact N-OD1 3.34Å; Q316-N319 PolarHBondContact O-ND2 2.78Å; N319-L321 HydrophobicContact CB-CD2 4.02Å
320	K	96.1	Very high	96.8	Very high	169 Å²	169	46.8 Å²	46.8	74%	0.735	28%	0.283	S	S	*	.			trans	-108.4	107.3	162.5	-69.8	-170.1	175.5	-164.8	0	108.3
321	L	98.3	Very high	97	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.026	25%	0.248	C	C	.	.			trans	-81.1	147.9	-179	-55.6	-174.9	0	0	0	110.5	L276 M302 A304 N319 A340 M343 A344 E345	L276-L321 HydrophobicContact CD1-CD2 4.44Å; M302-L321 CarbonylContact O-C 3.51Å; M302-L321 WeakPolarHBondContact O-CA 3.32Å; A304-L321 HydrophobicContact CB-CD2 3.75Å; N319-L321 HydrophobicContact CB-CD2 4.02Å; L321-A340 HydrophobicContact CD1-CB 3.87Å; L321-M343 HydrophobicContact CD1-CE 4Å; L321-A344 HydrophobicContact CB-CB 3.9Å; L321-A344 WeakPolarHBondContact O-CA 3.39Å; L321-E345 PolarHBondContact O-N 2.93Å
322	T	98.5	Very high	97.3	Very high	81 Å²	81	42.4 Å²	42.4	50%	0.497	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-117.6	141	174.1	-25.6	0	0	0	0	109.6	M302 E345	M302-T322 WeakPolarHBondContact CA-O 3.11Å; M302-T322 WeakPolarHBondContact CB-O 3.29Å; M302-T322 PolarHBondContact O-N 3.29Å; T322-E345 WeakPolarHBondContact CA-O 3.23Å
323	G	98.1	Very high	97.4	Very high	23 Å²	23	36.2 Å²	36.2	24%	0.237	20%	0.204	C	C	.	.			trans	-61.8	136	178.9	0	0	0	0	0	111.8	E345 Q347 T348	G323-E345 PolarHBondContact N-O 2.81Å; G323-Q347 CarbonylContact C-O 3.57Å; G323-Q347 WeakPolarHBondContact CA-O 3.49Å; G323-T348 WeakPolarHBondContact CA-OG1 3.35Å
324	A	98	Very high	97.3	Very high	17 Å²	17	36 Å²	36	14%	0.14	20%	0.203	C	C	.	.			trans	-151.1	158.9	-177.8	0	0	0	0	0	111.3	M302 V326 Q347 T348 E349	M302-A324 HydrophobicContact CG-CB 4.26Å; A324-V326 HydrophobicContact CB-CG1 4.49Å; A324-V326 PolarHBondContact O-N 3Å; A324-Q347 PolarHBondContact N-O 2.81Å; A324-T348 WeakPolarHBondContact O-CG2 3.31Å; A324-E349 PolarHBondContact O-N 3.12Å
325	P	98.1	Very high	97.3	Very high	79 Å²	79	34.7 Å²	34.7	51%	0.513	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	121.4	165.6	28.4	-32.2	0	0	0	109.5	R301 E349	R301-P325 PolarHBondContact NE-O 2.83Å; R301-P325 PolarHBondContact NH2-O 3.13Å; P325-E349 WeakPolarHBondContact CA-O 3.46Å
326	V	98.4	Very high	97.3	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	164.4	-178.7	-66	0	0	0	0	111.2	E298 M302 A324 L337 T348 E349 I350 T351	E298-V326 HydrophobicContact CB-CB 4.28Å; E298-V326 HydrophobicContact CB-CG1 4.28Å; E298-V326 WeakPolarHBondContact OE2-CA 3.37Å; E298-V326 WeakPolarHBondContact OE2-CB 3.34Å; M302-V326 HydrophobicContact CG-CG1 3.85Å; M302-V326 HydrophobicContact SD-CG1 4.08Å; A324-V326 HydrophobicContact CB-CG1 4.49Å; A324-V326 PolarHBondContact O-N 3Å; V326-L337 HydrophobicContact CB-CD1 4.13Å; V326-L337 HydrophobicContact CB-CD2 4.42Å; V326-L337 HydrophobicContact CG2-CB 4.3Å; V326-L337 HydrophobicContact CG2-CD1 3.98Å; V326-L337 HydrophobicContact CG2-CD2 4.31Å; V326-L337 HydrophobicContact CG2-CG 4.42Å; V326-T348 HydrophobicContact CG2-CG2 3.93Å; V326-E349 PolarHBondContact N-O 3.12Å; V326-I350 HydrophobicContact CG2-CB 4.44Å; V326-I350 HydrophobicContact CG2-CG1 3.86Å; V326-T351 PolarHBondContact O-N 3.29Å; V326-T351 PolarHBondContact O-OG1 3.38Å; V326-T351 VanDerWaalsContact O-OG1 3.08Å
327	K	97.6	Very high	97.3	Very high	104 Å²	104	31.8 Å²	31.8	45%	0.452	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.3	-176.9	-175.2	178.4	-178.6	170.3	0	112.4	E298 S329 L337 N352	E298-K327 PolarHBondContact OE2-N 3.37Å; K327-S329 PolarHBondContact O-N 3.29Å; K327-L337 WeakPolarHBondContact O-CD1 3.34Å; K327-N352 VanDerWaalsContact CE-ND2 3.3Å; K327-N352 WeakPolarHBondContact CE-ND2 3.28Å; K327-N352 WeakPolarHBondContact CE-OD1 3.33Å; K327-N352 HydrophobicContact CG-CB 4.12Å
328	A	96.5	Very high	97.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.18	C	C	.	.			trans	-66.2	123.3	169.5	0	0	0	0	0	110.3	I350 T351 N352 F355	A328-I350 HydrophobicContact CB-CG2 4.36Å; A328-T351 PolarHBondContact N-O 2.95Å; A328-N352 HydrophobicContact CB-CB 4.43Å; A328-N352 WeakPolarHBondContact O-CB 3.45Å; A328-F355 HydrophobicContact CB-CB 4.32Å; A328-F355 HydrophobicContact CB-CD2 4.3Å; A328-F355 VanDerWaalsContact O-CD2 3.23Å; A328-F355 WeakPolarHBondContact O-CD2 3.3Å; A328-F355 WeakPolarHBondContact O-CE2 3.4Å
329	S	94.7	Very high	97.4	Very high	26 Å²	26	27.9 Å²	27.9	18%	0.182	15%	0.152	C	C	.	.			trans	-90.1	-22.3	177.1	56.1	0	0	0	0	113.9	K294 K327 A333	K294-S329 VanDerWaalsContact CB-OG 3.26Å; K294-S329 WeakPolarHBondContact CB-OG 3.43Å; K327-S329 PolarHBondContact O-N 3.29Å; S329-A333 WeakPolarHBondContact OG-CB 3.46Å
330	D	95	Very high	97.5	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.146	C	C	.	.	S	Bend	trans	-167.8	172.1	-175.6	62.5	83	0	0	0	108.9	C76 L78 Q269 R332 A333 G334	C76-D330 HydrophobicContact CB-CB 3.85Å; L78-D330 HydrophobicContact CD2-CB 3.9Å; Q269-D330 PolarHBondContact NE2-OD1 3.2Å; Q269-D330 PolarHBondContact NE2-OD2 3.34Å; Q269-D330 PolarHBondContact OE1-OD1 3.49Å; D330-R332 PolarHBondContact O-N 2.86Å; D330-R332 PolarHBondContact OD1-N 2.89Å; D330-R332 VanDerWaalsContact OD1-N 3.08Å; D330-A333 VanDerWaalsContact CG-CB 3.5Å; D330-A333 PolarHBondContact O-N 2.65Å; D330-A333 PolarHBondContact OD1-N 3.37Å; D330-A333 WeakPolarHBondContact OD2-CB 3.44Å; D330-G334 PolarHBondContact O-N 3.45Å
331	L	95	Very high	97.6	Very high	21 Å²	21	19.5 Å²	19.5	11%	0.11	12%	0.12	C	C	.	.	H	α-helix	trans	-52.6	-49.6	-175.5	170.1	60.9	0	0	0	113.6	A335 F355 I356 R358 Y360	L331-A335 PolarHBondContact O-N 3.01Å; L331-F355 VanDerWaalsContact CA-O 3.29Å; L331-F355 WeakPolarHBondContact CA-O 3.07Å; L331-F355 WeakPolarHBondContact CB-O 3.47Å; L331-F355 WeakPolarHBondContact CD1-O 3.41Å; L331-I356 WeakPolarHBondContact CD1-O 3.41Å; L331-R358 HydrophobicContact CD1-CB 4.44Å; L331-Y360 HydrophobicContact CD1-CD2 3.73Å; L331-Y360 HydrophobicContact CD1-CE2 3.81Å; L331-Y360 HydrophobicContact CG-CE2 4.36Å
332	R	97.6	Very high	97.6	Very high	18 Å²	18	21.7 Å²	21.7	7%	0.068	13%	0.131	C	C	.	.	H	α-helix	trans	-89.1	-24.8	-172.1	-51.4	-61.7	178.6	-166.1	5.4	111.5	I195 Q269 P270 R292 D330 G334 A335 A336 Y360	I195-R332 VanDerWaalsContact CG2-CZ 3.47Å; Q269-R332 HydrophobicContact CB-CB 4.19Å; Q269-R332 WeakPolarHBondContact CB-O 3.25Å; Q269-R332 HydrophobicContact CG-CB 4.48Å; P270-R332 HydrophobicContact CG-CB 4.34Å; R292-R332 VanDerWaalsContact NH2-CG 3.25Å; D330-R332 PolarHBondContact O-N 2.86Å; D330-R332 PolarHBondContact OD1-N 2.89Å; D330-R332 VanDerWaalsContact OD1-N 3.08Å; R332-G334 VanDerWaalsContact C-N 3.33Å; R332-A335 PolarHBondContact O-N 3.27Å; R332-A336 PolarHBondContact O-N 2.83Å; R332-Y360 WeakPolarHBondContact CD-OH 3.29Å; R332-Y360 PolarHBondContact NH1-OH 3.35Å
333	A	97.5	Very high	97.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.8	-45.8	163.4	0	0	0	0	0	111.3	Q269 H295 S329 D330 A335 A336 L337	Q269-A333 VanDerWaalsContact NE2-CB 3.31Å; H295-A333 HydrophobicContact CB-CB 3.88Å; S329-A333 WeakPolarHBondContact OG-CB 3.46Å; D330-A333 VanDerWaalsContact CG-CB 3.5Å; D330-A333 PolarHBondContact O-N 2.65Å; D330-A333 PolarHBondContact OD1-N 3.37Å; D330-A333 WeakPolarHBondContact OD2-CB 3.44Å; A333-A335 VanDerWaalsContact C-N 3.31Å; A333-A335 PolarHBondContact O-N 3.11Å; A333-A336 WeakPolarHBondContact O-CB 3.38Å; A333-A336 PolarHBondContact O-N 2.71Å; A333-A336 VanDerWaalsContact O-N 3.14Å; A333-L337 WeakPolarHBondContact O-CG 3.28Å; A333-L337 PolarHBondContact O-N 3Å
334	G	97.3	Very high	97.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.6	-44.5	178.1	0	0	0	0	0	111.8	D330 R332 A336 L337 V338	D330-G334 PolarHBondContact O-N 3.45Å; R332-G334 VanDerWaalsContact C-N 3.33Å; G334-A336 PolarHBondContact O-N 3.29Å; G334-L337 PolarHBondContact O-N 2.92Å; G334-V338 WeakPolarHBondContact O-CG2 3.48Å; G334-V338 PolarHBondContact O-N 3.14Å
335	A	97.9	Very high	97.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.6	-44.5	173.1	0	0	0	0	0	112.8	T199 P270 L331 R332 A333 L337 V338 I339 Y360	T199-A335 HydrophobicContact CG2-CB 4.15Å; P270-A335 HydrophobicContact CG-CB 4.48Å; L331-A335 PolarHBondContact O-N 3.01Å; R332-A335 PolarHBondContact O-N 3.27Å; A333-A335 VanDerWaalsContact C-N 3.31Å; A333-A335 PolarHBondContact O-N 3.11Å; A335-L337 VanDerWaalsContact C-N 3.26Å; A335-L337 PolarHBondContact O-N 3.43Å; A335-V338 WeakPolarHBondContact O-CB 3.48Å; A335-V338 PolarHBondContact O-N 2.9Å; A335-V338 VanDerWaalsContact O-N 3.14Å; A335-I339 WeakPolarHBondContact O-CG1 3.2Å; A335-I339 PolarHBondContact O-N 3.18Å; A335-Y360 HydrophobicContact CB-CD2 4.37Å; A335-Y360 HydrophobicContact CB-CE1 4.33Å; A335-Y360 HydrophobicContact CB-CE2 3.48Å; A335-Y360 VanDerWaalsContact CB-CE2 3.48Å; A335-Y360 VanDerWaalsContact CB-CZ 3.44Å; A335-Y360 VanDerWaalsContact CB-OH 3.28Å; A335-Y360 WeakPolarHBondContact CB-OH 3.41Å
336	A	98.6	Very high	97.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-57.5	-40.5	175.3	0	0	0	0	0	112	Q269 P273 R332 A333 G334 I339 A340	Q269-A336 HydrophobicContact CB-CB 4.12Å; Q269-A336 WeakPolarHBondContact O-CB 3.21Å; P273-A336 HydrophobicContact CG-CB 4.07Å; P273-A336 WeakPolarHBondContact CG-O 3.19Å; R332-A336 PolarHBondContact O-N 2.83Å; A333-A336 WeakPolarHBondContact O-CB 3.38Å; A333-A336 PolarHBondContact O-N 2.71Å; A333-A336 VanDerWaalsContact O-N 3.14Å; G334-A336 PolarHBondContact O-N 3.29Å; A336-I339 PolarHBondContact O-N 2.83Å; A336-A340 WeakPolarHBondContact O-CB 3.38Å; A336-A340 PolarHBondContact O-N 2.58Å
337	L	98.7	Very high	97.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-69.6	-33.4	177.5	-64.4	176.7	0	0	0	112.7	E298 L299 M302 V326 K327 A333 G334 A335 A340 G341 I350	E298-L337 HydrophobicContact CB-CD1 4.09Å; E298-L337 HydrophobicContact CB-CD2 3.66Å; E298-L337 HydrophobicContact CB-CG 4.49Å; E298-L337 HydrophobicContact CG-CD1 4.34Å; L299-L337 HydrophobicContact CD2-CD2 4.28Å; L299-L337 HydrophobicContact CG-CD2 4.42Å; M302-L337 HydrophobicContact SD-CD2 4.42Å; V326-L337 HydrophobicContact CB-CD1 4.13Å; V326-L337 HydrophobicContact CB-CD2 4.42Å; V326-L337 HydrophobicContact CG2-CB 4.3Å; V326-L337 HydrophobicContact CG2-CD1 3.98Å; V326-L337 HydrophobicContact CG2-CD2 4.31Å; V326-L337 HydrophobicContact CG2-CG 4.42Å; K327-L337 WeakPolarHBondContact O-CD1 3.34Å; A333-L337 WeakPolarHBondContact O-CG 3.28Å; A333-L337 PolarHBondContact O-N 3Å; G334-L337 PolarHBondContact O-N 2.92Å; A335-L337 VanDerWaalsContact C-N 3.26Å; A335-L337 PolarHBondContact O-N 3.43Å; L337-A340 PolarHBondContact O-N 3.07Å; L337-G341 PolarHBondContact O-N 3.24Å; L337-I350 HydrophobicContact CB-CD1 4.01Å; L337-I350 HydrophobicContact CB-CG1 4.46Å
338	V	98.5	Very high	97.5	Very high	11 Å²	11	26 Å²	26	7%	0.067	16%	0.155	C	C	.	.	H	α-helix	trans	-61.1	-48.2	171.2	173.6	0	0	0	0	110.2	M203 G334 A335 A340 G341 L342 I350 I356 I363 L367 I374	M203-V338 HydrophobicContact CE-CB 4.49Å; M203-V338 HydrophobicContact CE-CG1 4Å; G334-V338 WeakPolarHBondContact O-CG2 3.48Å; G334-V338 PolarHBondContact O-N 3.14Å; A335-V338 WeakPolarHBondContact O-CB 3.48Å; A335-V338 PolarHBondContact O-N 2.9Å; A335-V338 VanDerWaalsContact O-N 3.14Å; V338-A340 PolarHBondContact O-N 2.95Å; V338-G341 PolarHBondContact O-N 3.49Å; V338-L342 HydrophobicContact CG1-CD1 4.44Å; V338-L342 WeakPolarHBondContact O-CG 3.48Å; V338-L342 PolarHBondContact O-N 3.1Å; V338-I350 HydrophobicContact CB-CD1 4.3Å; V338-I350 HydrophobicContact CG2-CD1 3.65Å; V338-I356 HydrophobicContact CG2-CD1 3.97Å; V338-I363 HydrophobicContact CG1-CD1 4.49Å; V338-L367 HydrophobicContact CG1-CD1 3.65Å; V338-I374 HydrophobicContact CG1-CD1 4.2Å
339	I	98.5	Very high	97.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-61.2	-46.2	178.6	-54.4	172	0	0	0	110.7	T199 A202 M203 A206 P270 P273 A335 A336 G341 L342 M343	T199-I339 HydrophobicContact CG2-CD1 4.16Å; A202-I339 HydrophobicContact CB-CD1 4.19Å; M203-I339 HydrophobicContact CE-CD1 4.25Å; M203-I339 HydrophobicContact CE-CG1 3.53Å; M203-I339 HydrophobicContact CG-CB 4.4Å; M203-I339 HydrophobicContact CG-CD1 4.02Å; M203-I339 HydrophobicContact CG-CG1 3.5Å; M203-I339 HydrophobicContact CG-CG2 4.35Å; M203-I339 HydrophobicContact SD-CG1 4.38Å; A206-I339 HydrophobicContact CB-CG2 4.28Å; P270-I339 HydrophobicContact CB-CD1 4.29Å; P270-I339 WeakPolarHBondContact O-CD1 3.42Å; P273-I339 HydrophobicContact CB-CB 3.95Å; P273-I339 HydrophobicContact CB-CG2 3.68Å; P273-I339 HydrophobicContact CG-CB 3.95Å; P273-I339 HydrophobicContact CG-CG2 4.21Å; A335-I339 WeakPolarHBondContact O-CG1 3.2Å; A335-I339 PolarHBondContact O-N 3.18Å; A336-I339 PolarHBondContact O-N 2.83Å; I339-G341 VanDerWaalsContact C-N 3.28Å; I339-G341 PolarHBondContact O-N 3.15Å; I339-L342 WeakPolarHBondContact O-CB 3.23Å; I339-L342 PolarHBondContact O-N 3.4Å; I339-M343 HydrophobicContact CG2-SD 4.02Å; I339-M343 WeakPolarHBondContact O-CG 3.21Å; I339-M343 PolarHBondContact O-N 3.26Å
340	A	98.7	Very high	97.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-38.5	177	0	0	0	0	0	112	P273 L299 M302 L321 A336 L337 V338 M343 A344	P273-A340 HydrophobicContact CB-CB 4.3Å; P273-A340 HydrophobicContact CG-CB 4.29Å; L299-A340 HydrophobicContact CD2-CB 3.5Å; L299-A340 VanDerWaalsContact CD2-CB 3.5Å; M302-A340 HydrophobicContact CE-CB 3.9Å; M302-A340 HydrophobicContact SD-CB 3.85Å; L321-A340 HydrophobicContact CD1-CB 3.87Å; A336-A340 WeakPolarHBondContact O-CB 3.38Å; A336-A340 PolarHBondContact O-N 2.58Å; L337-A340 PolarHBondContact O-N 3.07Å; V338-A340 PolarHBondContact O-N 2.95Å; A340-M343 PolarHBondContact O-N 3.46Å; A340-A344 WeakPolarHBondContact O-CB 3.46Å; A340-A344 PolarHBondContact O-N 3.02Å
341	G	98.4	Very high	97.8	Very high	19 Å²	19	35.4 Å²	35.4	20%	0.196	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-40	176	0	0	0	0	0	112.8	L337 V338 I339 M343 A344 T348	L337-G341 PolarHBondContact O-N 3.24Å; V338-G341 PolarHBondContact O-N 3.49Å; I339-G341 VanDerWaalsContact C-N 3.28Å; I339-G341 PolarHBondContact O-N 3.15Å; G341-M343 PolarHBondContact O-N 3.35Å; G341-A344 PolarHBondContact O-N 3.16Å; G341-T348 WeakPolarHBondContact CA-OG1 3.34Å
342	L	97.6	Very high	97.9	Very high	51 Å²	51	36.8 Å²	36.8	27%	0.267	21%	0.209	S	C	.	.	H	α-helix	trans	-63.5	-29.9	174.1	-66.4	171.3	0	0	0	112.6	M203 V338 I339 L367 A372	M203-L342 HydrophobicContact CG-CD1 4.42Å; V338-L342 HydrophobicContact CG1-CD1 4.44Å; V338-L342 WeakPolarHBondContact O-CG 3.48Å; V338-L342 PolarHBondContact O-N 3.1Å; I339-L342 WeakPolarHBondContact O-CB 3.23Å; I339-L342 PolarHBondContact O-N 3.4Å; L342-L367 HydrophobicContact CD1-CD1 4.37Å; L342-L367 HydrophobicContact CD1-CD2 4.12Å; L342-A372 HydrophobicContact CD2-CB 3.62Å
343	M	97	Very high	97.7	Very high	30 Å²	30	38.1 Å²	38.1	15%	0.148	22%	0.22	C	C	.	.	H	α-helix	trans	-85.5	-20.2	178.9	-65.7	163.7	50.1	0	0	113.9	A206 M207 P273 T277 L321 I339 A340 G341	A206-M343 HydrophobicContact CB-CG 4.13Å; A206-M343 HydrophobicContact CB-SD 3.81Å; M207-M343 HydrophobicContact CG-CB 4.14Å; M207-M343 HydrophobicContact CG-CG 3.49Å; M207-M343 VanDerWaalsContact CG-CG 3.49Å; M207-M343 HydrophobicContact SD-CB 4.49Å; M207-M343 HydrophobicContact SD-CG 4.32Å; P273-M343 HydrophobicContact CB-SD 3.77Å; P273-M343 WeakPolarHBondContact O-CE 3.33Å; T277-M343 HydrophobicContact CG2-CE 3.22Å; T277-M343 HydrophobicContact CG2-SD 4.26Å; L321-M343 HydrophobicContact CD1-CE 4Å; I339-M343 HydrophobicContact CG2-SD 4.02Å; I339-M343 WeakPolarHBondContact O-CG 3.21Å; I339-M343 PolarHBondContact O-N 3.26Å; A340-M343 PolarHBondContact O-N 3.46Å; G341-M343 PolarHBondContact O-N 3.35Å
344	A	98	Very high	97.4	Very high	15 Å²	15	42.8 Å²	42.8	12%	0.124	24%	0.241	C	C	.	.	S	Bend	trans	-81.3	145.5	-167.6	0	0	0	0	0	112.7	M302 L321 A340 G341	M302-A344 HydrophobicContact CE-CB 3.78Å; L321-A344 HydrophobicContact CB-CB 3.9Å; L321-A344 WeakPolarHBondContact O-CA 3.39Å; A340-A344 WeakPolarHBondContact O-CB 3.46Å; A340-A344 PolarHBondContact O-N 3.02Å; G341-A344 PolarHBondContact O-N 3.16Å
345	E	97.7	Very high	97.2	Very high	127 Å²	127	44.6 Å²	44.6	59%	0.593	25%	0.25	S	C	*	.	B	Isolated β-bridge	trans	-75.1	126.5	168.3	-67.3	-178.8	-167	0	0	109.9	L321 T322 G323	L321-E345 PolarHBondContact O-N 2.93Å; T322-E345 WeakPolarHBondContact CA-O 3.23Å; G323-E345 PolarHBondContact N-O 2.81Å
346	G	97.6	Very high	96.9	Very high	69 Å²	69	45 Å²	45	71%	0.711	25%	0.252	S	S	*	.	S	Bend	trans	94.3	-160.2	-179.4	0	0	0	0	0	113.3
347	Q	98.1	Very high	96.6	Very high	128 Å²	128	48.4 Å²	48.4	60%	0.598	27%	0.269	S	S	*	.			trans	-100.4	128.9	-174.6	-175.8	177.4	-26.2	0	0	111.1	G323 A324 E349	G323-Q347 CarbonylContact C-O 3.57Å; G323-Q347 WeakPolarHBondContact CA-O 3.49Å; A324-Q347 PolarHBondContact N-O 2.81Å; Q347-E349 HydrophobicContact CG-CG 4.49Å; Q347-E349 PolarHBondContact NE2-OE1 3.13Å
348	T	98.6	Very high	96.1	Very high	30 Å²	30	50.5 Å²	50.5	18%	0.184	28%	0.277	C	S	.	.			trans	-105.6	132.8	171.6	-59	0	0	0	0	109.3	M302 G323 A324 V326 G341 I350	M302-T348 HydrophobicContact CE-CG2 3.91Å; M302-T348 WeakPolarHBondContact CE-OG1 3.41Å; M302-T348 HydrophobicContact SD-CG2 4.47Å; G323-T348 WeakPolarHBondContact CA-OG1 3.35Å; A324-T348 WeakPolarHBondContact O-CG2 3.31Å; V326-T348 HydrophobicContact CG2-CG2 3.93Å; G341-T348 WeakPolarHBondContact CA-OG1 3.34Å; T348-I350 HydrophobicContact CG2-CG1 4.08Å
349	E	98.3	Very high	95.7	Very high	108 Å²	108	50.3 Å²	50.3	51%	0.505	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118.3	176.1	-69.5	178.4	-175.5	0	0	108.9	A324 P325 V326 Q347	A324-E349 PolarHBondContact O-N 3.12Å; P325-E349 WeakPolarHBondContact CA-O 3.46Å; V326-E349 PolarHBondContact N-O 3.12Å; Q347-E349 HydrophobicContact CG-CG 4.49Å; Q347-E349 PolarHBondContact NE2-OE1 3.13Å
350	I	98.3	Very high	95.4	Very high	40 Å²	40	50.3 Å²	50.3	21%	0.205	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.1	-177.7	-51.5	175.9	0	0	0	108.7	V326 A328 L337 V338 T348 V353 I356	V326-I350 HydrophobicContact CG2-CB 4.44Å; V326-I350 HydrophobicContact CG2-CG1 3.86Å; A328-I350 HydrophobicContact CB-CG2 4.36Å; L337-I350 HydrophobicContact CB-CD1 4.01Å; L337-I350 HydrophobicContact CB-CG1 4.46Å; V338-I350 HydrophobicContact CB-CD1 4.3Å; V338-I350 HydrophobicContact CG2-CD1 3.65Å; T348-I350 HydrophobicContact CG2-CG1 4.08Å; I350-V353 VanDerWaalsContact O-CG1 3.25Å; I350-V353 WeakPolarHBondContact O-CG1 3.34Å; I350-I356 HydrophobicContact CG2-CD1 4.17Å
351	T	97.2	Very high	95	Very high	76 Å²	76	50.9 Å²	50.9	47%	0.466	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	165.9	173.2	55.9	0	0	0	0	111.3	V326 A328	V326-T351 PolarHBondContact O-N 3.29Å; V326-T351 PolarHBondContact O-OG1 3.38Å; V326-T351 VanDerWaalsContact O-OG1 3.08Å; A328-T351 PolarHBondContact N-O 2.95Å
352	N	95.2	Very high	94.7	Very high	49 Å²	49	54.2 Å²	54.2	26%	0.262	29%	0.294	S	S	.	.			trans	62.2	40.9	-174.4	-75.5	54.3	0	0	0	113.9	K327 A328 E354 F355	K327-N352 VanDerWaalsContact CE-ND2 3.3Å; K327-N352 WeakPolarHBondContact CE-ND2 3.28Å; K327-N352 WeakPolarHBondContact CE-OD1 3.33Å; K327-N352 HydrophobicContact CG-CB 4.12Å; A328-N352 HydrophobicContact CB-CB 4.43Å; A328-N352 WeakPolarHBondContact O-CB 3.45Å; N352-E354 WeakPolarHBondContact CA-OE1 3.5Å; N352-E354 WeakPolarHBondContact CA-OE2 3.38Å; N352-E354 WeakPolarHBondContact CB-OE1 3Å; N352-E354 VanDerWaalsContact CG-OE1 3.29Å; N352-E354 PolarHBondContact ND2-OE1 2.83Å; N352-E354 PolarHBondContact O-N 2.93Å; N352-E354 VanDerWaalsContact O-N 3.16Å; N352-F355 HydrophobicContact CB-CD2 3.87Å; N352-F355 HydrophobicContact CB-CE2 4.07Å; N352-F355 WeakPolarHBondContact O-CD2 3.13Å; N352-F355 PolarHBondContact O-N 2.82Å; N352-F355 VanDerWaalsContact O-N 3.15Å
353	V	93.6	Very high	94.5	Very high	47 Å²	47	52 Å²	52	29%	0.285	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.5	-177.3	-62.4	0	0	0	0	113.3	I350 F355 I356 L357 L376	I350-V353 VanDerWaalsContact O-CG1 3.25Å; I350-V353 WeakPolarHBondContact O-CG1 3.34Å; V353-F355 PolarHBondContact O-N 2.95Å; V353-F355 VanDerWaalsContact O-N 3.1Å; V353-I356 WeakPolarHBondContact O-CB 3.33Å; V353-I356 PolarHBondContact O-N 2.85Å; V353-L357 WeakPolarHBondContact O-CG 3Å; V353-L357 PolarHBondContact O-N 2.79Å; V353-L357 VanDerWaalsContact O-N 3.1Å; V353-L376 HydrophobicContact CG2-CD1 4.01Å
354	E	91.7	Very high	94.5	Very high	97 Å²	97	52.3 Å²	52.3	45%	0.453	29%	0.285	S	S	.	.	H	α-helix	trans	-53.9	-30	172.2	67.8	-77.3	177.9	0	0	112.3	N352 R358	N352-E354 WeakPolarHBondContact CA-OE1 3.5Å; N352-E354 WeakPolarHBondContact CA-OE2 3.38Å; N352-E354 WeakPolarHBondContact CB-OE1 3Å; N352-E354 VanDerWaalsContact CG-OE1 3.29Å; N352-E354 PolarHBondContact ND2-OE1 2.83Å; N352-E354 PolarHBondContact O-N 2.93Å; N352-E354 VanDerWaalsContact O-N 3.16Å; E354-R358 WeakPolarHBondContact O-CG 3.25Å; E354-R358 PolarHBondContact O-N 2.84Å
355	F	92.2	Very high	94.4	Very high	39 Å²	39	57.2 Å²	57.2	17%	0.171	31%	0.305	C	S	.	.	H	α-helix	trans	-66.2	-39.6	173.5	-72.6	-57.2	0	0	0	112.8	G75 A328 L331 N352 V353	G75-F355 WeakPolarHBondContact O-CE1 3.48Å; A328-F355 HydrophobicContact CB-CB 4.32Å; A328-F355 HydrophobicContact CB-CD2 4.3Å; A328-F355 VanDerWaalsContact O-CD2 3.23Å; A328-F355 WeakPolarHBondContact O-CD2 3.3Å; A328-F355 WeakPolarHBondContact O-CE2 3.4Å; L331-F355 VanDerWaalsContact CA-O 3.29Å; L331-F355 WeakPolarHBondContact CA-O 3.07Å; L331-F355 WeakPolarHBondContact CB-O 3.47Å; L331-F355 WeakPolarHBondContact CD1-O 3.41Å; N352-F355 HydrophobicContact CB-CD2 3.87Å; N352-F355 HydrophobicContact CB-CE2 4.07Å; N352-F355 WeakPolarHBondContact O-CD2 3.13Å; N352-F355 PolarHBondContact O-N 2.82Å; N352-F355 VanDerWaalsContact O-N 3.15Å; V353-F355 PolarHBondContact O-N 2.95Å; V353-F355 VanDerWaalsContact O-N 3.1Å
356	I	93.5	Very high	94.3	Very high	8 Å²	8	54.7 Å²	54.7	4%	0.041	29%	0.292	C	S	.	.	H	α-helix	trans	-69.6	-45.3	-178.9	-61.2	167.4	0	0	0	109.7	L331 V338 I350 V353 R358 G359 Y360 I363	L331-I356 WeakPolarHBondContact CD1-O 3.41Å; V338-I356 HydrophobicContact CG2-CD1 3.97Å; I350-I356 HydrophobicContact CG2-CD1 4.17Å; V353-I356 WeakPolarHBondContact O-CB 3.33Å; V353-I356 PolarHBondContact O-N 2.85Å; I356-R358 PolarHBondContact O-N 3.34Å; I356-R358 VanDerWaalsContact O-N 3.08Å; I356-G359 PolarHBondContact O-N 3.06Å; I356-G359 VanDerWaalsContact O-N 3.11Å; I356-Y360 HydrophobicContact CG2-CD2 4.08Å; I356-Y360 PolarHBondContact O-N 2.8Å; I356-I363 HydrophobicContact CG2-CD1 3.92Å; I356-I363 HydrophobicContact CG2-CG2 4.37Å
357	L	90.6	Very high	94.3	Very high	71 Å²	71	51.6 Å²	51.6	37%	0.372	26%	0.259	S	S	.	.	H	α-helix	trans	-65.7	-12.6	-176.9	-60.7	177.3	0	0	0	113.7	S30 V353 G359	S30-L357 PolarHBondContact N-O 3.23Å; V353-L357 WeakPolarHBondContact O-CG 3Å; V353-L357 PolarHBondContact O-N 2.79Å; V353-L357 VanDerWaalsContact O-N 3.1Å; L357-G359 VanDerWaalsContact C-N 3.27Å; L357-G359 PolarHBondContact O-N 3.32Å
358	R	89.3	Confident	94.2	Very high	45 Å²	45	49 Å²	49	17%	0.17	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-18.6	172.4	-75.2	175.1	65.2	-136.1	-19.1	114.6	S30 D31 C76 L331 E354 I356	S30-R358 WeakPolarHBondContact OG-CA 3.21Å; S30-R358 VanDerWaalsContact OG-CG 3.24Å; S30-R358 WeakPolarHBondContact OG-CG 3.48Å; D31-R358 WeakPolarHBondContact OD1-CG 3.19Å; D31-R358 IonicContact OD1-CZ 3.27Å; D31-R358 IonicContact OD1-NE 2.88Å; D31-R358 PolarHBondContact OD1-NE 3.3Å; D31-R358 IonicContact OD1-NH2 3.86Å; D31-R358 PolarHBondContact OD1-NH2 3.34Å; D31-R358 IonicContact OD2-CZ 3.59Å; D31-R358 IonicContact OD2-NE 3.58Å; D31-R358 IonicContact OD2-NH2 3.03Å; D31-R358 PolarHBondContact OD2-NH2 2.97Å; C76-R358 PolarHBondContact SG-NH1 2.95Å; L331-R358 HydrophobicContact CD1-CB 4.44Å; E354-R358 WeakPolarHBondContact O-CG 3.25Å; E354-R358 PolarHBondContact O-N 2.84Å; I356-R358 PolarHBondContact O-N 3.34Å; I356-R358 VanDerWaalsContact O-N 3.08Å
359	G	89.5	Confident	94.1	Very high	6 Å²	6	51.7 Å²	51.7	6%	0.062	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-153.5	10	-172.3	0	0	0	0	0	116.5	I356 L357	I356-G359 PolarHBondContact O-N 3.06Å; I356-G359 VanDerWaalsContact O-N 3.11Å; L357-G359 VanDerWaalsContact C-N 3.27Å; L357-G359 PolarHBondContact O-N 3.32Å
360	Y	93	Very high	93.9	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.008	28%	0.278	C	S	.	.			trans	-128.9	107.7	170.4	-67.6	-86.6	0	0	0	109.3	E196 T199 L331 R332 A335 I356 I363	E196-Y360 HydrophobicContact CG-CD1 4.23Å; E196-Y360 HydrophobicContact CG-CE1 4.46Å; T199-Y360 HydrophobicContact CG2-CE1 3.63Å; T199-Y360 PolarHBondContact OG1-OH 3.29Å; L331-Y360 HydrophobicContact CD1-CD2 3.73Å; L331-Y360 HydrophobicContact CD1-CE2 3.81Å; L331-Y360 HydrophobicContact CG-CE2 4.36Å; R332-Y360 WeakPolarHBondContact CD-OH 3.29Å; R332-Y360 PolarHBondContact NH1-OH 3.35Å; A335-Y360 HydrophobicContact CB-CD2 4.37Å; A335-Y360 HydrophobicContact CB-CE1 4.33Å; A335-Y360 HydrophobicContact CB-CE2 3.48Å; A335-Y360 VanDerWaalsContact CB-CE2 3.48Å; A335-Y360 VanDerWaalsContact CB-CZ 3.44Å; A335-Y360 VanDerWaalsContact CB-OH 3.28Å; A335-Y360 WeakPolarHBondContact CB-OH 3.41Å; I356-Y360 HydrophobicContact CG2-CD2 4.08Å; I356-Y360 PolarHBondContact O-N 2.8Å; Y360-I363 HydrophobicContact CD1-CD1 4.33Å; Y360-I363 HydrophobicContact CG-CD1 4.07Å
361	S	89.2	Confident	93.8	Very high	11 Å²	11	52.7 Å²	52.7	8%	0.077	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	131.6	-179.6	-179.2	0	0	0	0	110.4	A28 I363 K366	A28-S361 PolarHBondContact N-OG 2.9Å; A28-S361 WeakPolarHBondContact O-CA 3.46Å; A28-S361 WeakPolarHBondContact O-CB 3.17Å; A28-S361 PolarHBondContact O-OG 3.15Å; A28-S361 VanDerWaalsContact O-OG 3.12Å; S361-I363 PolarHBondContact O-N 2.94Å; S361-K366 WeakPolarHBondContact O-CE 3.32Å; S361-K366 PolarHBondContact O-NZ 3.05Å
362	N	92.1	Very high	93.8	Very high	89 Å²	89	50.1 Å²	50.1	48%	0.476	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	39.7	175.7	-52.1	-24.9	0	0	0	113.2	I364 E365 K366	N362-I364 VanDerWaalsContact C-N 3.27Å; N362-I364 PolarHBondContact O-N 2.9Å; N362-E365 WeakPolarHBondContact CA-OE2 3.03Å; N362-E365 HydrophobicContact CB-CB 4.33Å; N362-E365 WeakPolarHBondContact CB-OE2 3.32Å; N362-E365 PolarHBondContact O-N 3.27Å; N362-K366 WeakPolarHBondContact O-CB 2.94Å; N362-K366 VanDerWaalsContact O-CG 3.29Å; N362-K366 WeakPolarHBondContact O-CG 3.45Å; N362-K366 PolarHBondContact O-N 2.92Å
363	I	94.7	Very high	93.8	Very high	6 Å²	6	55.6 Å²	55.6	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-62.2	-36.4	-173.3	-167.6	173.5	0	0	0	112	V338 I356 Y360 S361 L367	V338-I363 HydrophobicContact CG1-CD1 4.49Å; I356-I363 HydrophobicContact CG2-CD1 3.92Å; I356-I363 HydrophobicContact CG2-CG2 4.37Å; Y360-I363 HydrophobicContact CD1-CD1 4.33Å; Y360-I363 HydrophobicContact CG-CD1 4.07Å; S361-I363 PolarHBondContact O-N 2.94Å; I363-L367 HydrophobicContact CG1-CD1 3.92Å; I363-L367 HydrophobicContact CG1-CG 4.44Å; I363-L367 WeakPolarHBondContact O-CB 3.36Å; I363-L367 VanDerWaalsContact O-CG 3.26Å; I363-L367 WeakPolarHBondContact O-CG 3.38Å; I363-L367 PolarHBondContact O-N 2.96Å; I363-L367 VanDerWaalsContact O-N 3.08Å
364	I	95.4	Very high	94	Very high	36 Å²	36	55.2 Å²	55.2	19%	0.185	32%	0.315	C	S	.	.	H	α-helix	trans	-66.5	-53.4	179.2	-54.1	-61.2	0	0	0	108.9	N362 K366 L367 T368 I374 L376	N362-I364 VanDerWaalsContact C-N 3.27Å; N362-I364 PolarHBondContact O-N 2.9Å; I364-K366 PolarHBondContact O-N 3.48Å; I364-L367 PolarHBondContact O-N 2.94Å; I364-T368 WeakPolarHBondContact O-CB 2.93Å; I364-T368 PolarHBondContact O-N 2.72Å; I364-T368 PolarHBondContact O-OG1 2.74Å; I364-I374 HydrophobicContact CD1-CD1 3.89Å; I364-I374 HydrophobicContact CD1-CG1 3.94Å; I364-I374 HydrophobicContact CG2-CG2 4.49Å; I364-L376 HydrophobicContact CD1-CB 4.4Å; I364-L376 HydrophobicContact CG1-CB 4.19Å
365	E	96.3	Very high	94.2	Very high	118 Å²	118	57.3 Å²	57.3	55%	0.551	32%	0.322	S	S	*	.	H	α-helix	trans	-59	-45.6	-179.1	-62.4	80.3	-179.4	0	0	111.7	N362 L367 A369	N362-E365 WeakPolarHBondContact CA-OE2 3.03Å; N362-E365 HydrophobicContact CB-CB 4.33Å; N362-E365 WeakPolarHBondContact CB-OE2 3.32Å; N362-E365 PolarHBondContact O-N 3.27Å; E365-L367 PolarHBondContact O-N 2.82Å; E365-A369 VanDerWaalsContact O-CB 3.24Å; E365-A369 WeakPolarHBondContact O-CB 3.33Å; E365-A369 PolarHBondContact O-N 3.46Å
366	K	96.7	Very high	94.3	Very high	74 Å²	74	59.7 Å²	59.7	32%	0.322	34%	0.336	S	S	.	.	H	α-helix	trans	-61.3	-43.3	178.2	-75.5	172.6	176.8	163	0	111.9	E196 Y200 S361 N362 I364 L370	E196-K366 IonicContact OE1-NZ 2.8Å; E196-K366 PolarHBondContact OE1-NZ 3.03Å; E196-K366 IonicContact OE2-NZ 3.54Å; Y200-K366 HydrophobicContact CE1-CB 4.31Å; Y200-K366 HydrophobicContact CE2-CD 4.2Å; Y200-K366 VanDerWaalsContact OH-CB 3.27Å; Y200-K366 WeakPolarHBondContact OH-CB 3.41Å; Y200-K366 WeakPolarHBondContact OH-CD 3.35Å; S361-K366 WeakPolarHBondContact O-CE 3.32Å; S361-K366 PolarHBondContact O-NZ 3.05Å; N362-K366 WeakPolarHBondContact O-CB 2.94Å; N362-K366 VanDerWaalsContact O-CG 3.29Å; N362-K366 WeakPolarHBondContact O-CG 3.45Å; N362-K366 PolarHBondContact O-N 2.92Å; I364-K366 PolarHBondContact O-N 3.48Å; K366-L370 WeakPolarHBondContact O-CG 3.46Å; K366-L370 PolarHBondContact O-N 3.1Å
367	L	96.7	Very high	94.2	Very high	4 Å²	4	64.5 Å²	64.5	2%	0.021	36%	0.361	C	S	.	.	H	α-helix	trans	-74.6	-41.5	-179.6	-71.9	176	0	0	0	112.2	Y200 M203 V338 L342 I363 I364 E365 A369 L370 G371 A372 I374	Y200-L367 HydrophobicContact CD1-CD2 4.49Å; Y200-L367 HydrophobicContact CE1-CD2 3.84Å; Y200-L367 HydrophobicContact CE1-CG 4.32Å; M203-L367 HydrophobicContact CE-CD1 4.5Å; M203-L367 HydrophobicContact SD-CD2 3.8Å; V338-L367 HydrophobicContact CG1-CD1 3.65Å; L342-L367 HydrophobicContact CD1-CD1 4.37Å; L342-L367 HydrophobicContact CD1-CD2 4.12Å; I363-L367 HydrophobicContact CG1-CD1 3.92Å; I363-L367 HydrophobicContact CG1-CG 4.44Å; I363-L367 WeakPolarHBondContact O-CB 3.36Å; I363-L367 VanDerWaalsContact O-CG 3.26Å; I363-L367 WeakPolarHBondContact O-CG 3.38Å; I363-L367 PolarHBondContact O-N 2.96Å; I363-L367 VanDerWaalsContact O-N 3.08Å; I364-L367 PolarHBondContact O-N 2.94Å; E365-L367 PolarHBondContact O-N 2.82Å; L367-A369 VanDerWaalsContact C-N 3.26Å; L367-A369 PolarHBondContact O-N 2.81Å; L367-L370 CarbonylContact O-C 3.6Å; L367-L370 WeakPolarHBondContact O-CA 3.49Å; L367-L370 WeakPolarHBondContact O-CB 3.36Å; L367-L370 PolarHBondContact O-N 2.84Å; L367-G371 PolarHBondContact O-N 2.63Å; L367-A372 HydrophobicContact CB-CB 4.03Å; L367-A372 VanDerWaalsContact O-CB 3.27Å; L367-A372 WeakPolarHBondContact O-CB 3.42Å; L367-A372 PolarHBondContact O-N 3.43Å; L367-I374 HydrophobicContact CB-CG2 3.83Å; L367-I374 HydrophobicContact CD1-CD1 3.9Å
368	T	96.6	Very high	94	Very high	72 Å²	72	69.5 Å²	69.5	44%	0.442	38%	0.382	S	S	.	.	H	α-helix	trans	-59.6	-39	173.3	-57.2	0	0	0	0	111	I364 L370 G371	I364-T368 WeakPolarHBondContact O-CB 2.93Å; I364-T368 PolarHBondContact O-N 2.72Å; I364-T368 PolarHBondContact O-OG1 2.74Å; T368-L370 PolarHBondContact O-N 3.23Å; T368-G371 WeakPolarHBondContact O-CA 3.37Å; T368-G371 PolarHBondContact O-N 2.95Å
369	A	95.9	Very high	92.9	Very high	88 Å²	88	78.7 Å²	78.7	73%	0.727	44%	0.435	S	S	*	.	H	α-helix	trans	-64	-24.5	175.2	0	0	0	0	0	113.5	E365 L367 G371	E365-A369 VanDerWaalsContact O-CB 3.24Å; E365-A369 WeakPolarHBondContact O-CB 3.33Å; E365-A369 PolarHBondContact O-N 3.46Å; L367-A369 VanDerWaalsContact C-N 3.26Å; L367-A369 PolarHBondContact O-N 2.81Å; A369-G371 VanDerWaalsContact C-N 3.3Å
370	L	95.2	Very high	93.1	Very high	99 Å²	99	82.3 Å²	82.3	52%	0.518	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	1.4	171.7	-66.7	172.6	0	0	0	113.2	V211 K366 L367 T368	V211-L370 HydrophobicContact CG1-CD1 4.24Å; V211-L370 HydrophobicContact CG1-CD2 3.99Å; K366-L370 WeakPolarHBondContact O-CG 3.46Å; K366-L370 PolarHBondContact O-N 3.1Å; L367-L370 CarbonylContact O-C 3.6Å; L367-L370 WeakPolarHBondContact O-CA 3.49Å; L367-L370 WeakPolarHBondContact O-CB 3.36Å; L367-L370 PolarHBondContact O-N 2.84Å; T368-L370 PolarHBondContact O-N 3.23Å
371	G	95.2	Very high	93.1	Very high	70 Å²	70	86.5 Å²	86.5	72%	0.722	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	10.9	179	0	0	0	0	0	114.9	L367 T368 A369	L367-G371 PolarHBondContact O-N 2.63Å; T368-G371 WeakPolarHBondContact O-CA 3.37Å; T368-G371 PolarHBondContact O-N 2.95Å; A369-G371 VanDerWaalsContact C-N 3.3Å
372	A	96.3	Very high	93.3	Very high	22 Å²	22	90.7 Å²	90.7	18%	0.182	50%	0.499	C	S	.	.			trans	-71.6	136.5	174.5	0	0	0	0	0	111.7	L342 L367 I374	L342-A372 HydrophobicContact CD2-CB 3.62Å; L367-A372 HydrophobicContact CB-CB 4.03Å; L367-A372 VanDerWaalsContact O-CB 3.27Å; L367-A372 WeakPolarHBondContact O-CB 3.42Å; L367-A372 PolarHBondContact O-N 3.43Å; A372-I374 HydrophobicContact CB-CG2 4.06Å; A372-I374 PolarHBondContact O-N 2.82Å; A372-I374 VanDerWaalsContact O-N 3.17Å
373	D	96.8	Very high	93.4	Very high	163 Å²	163	90.8 Å²	90.8	87%	0.872	50%	0.5	S	S	*	.			trans	-82.5	86.1	167.1	-171.4	2.8	0	0	0	109.3
374	I	97.2	Very high	93.3	Very high	40 Å²	40	96.1 Å²	96.1	21%	0.205	53%	0.53	C	S	.	.			trans	-136.6	140.8	-179.3	-171.7	173.3	0	0	0	109.7	V338 I364 L367 A372	V338-I374 HydrophobicContact CG1-CD1 4.2Å; I364-I374 HydrophobicContact CD1-CD1 3.89Å; I364-I374 HydrophobicContact CD1-CG1 3.94Å; I364-I374 HydrophobicContact CG2-CG2 4.49Å; L367-I374 HydrophobicContact CB-CG2 3.83Å; L367-I374 HydrophobicContact CD1-CD1 3.9Å; A372-I374 HydrophobicContact CB-CG2 4.06Å; A372-I374 PolarHBondContact O-N 2.82Å; A372-I374 VanDerWaalsContact O-N 3.17Å
375	K	95.9	Very high	93.2	Very high	141 Å²	141	100.1 Å²	100.1	61%	0.613	55%	0.553	S	S	*	*			trans	-145.4	146.6	178.1	55.8	-179.2	170.6	174.7	0	110.6	I377	K375-I377 HydrophobicContact CD-CD1 3.95Å; K375-I377 HydrophobicContact CD-CG1 4.05Å; K375-I377 HydrophobicContact CG-CD1 4.17Å; K375-I377 HydrophobicContact CG-CG1 4Å
376	L	94.2	Very high	93	Very high	88 Å²	88	98.9 Å²	98.9	46%	0.461	55%	0.553	S	S	.	*			trans	-89	132.5	164.6	-175.3	63.7	0	0	0	108.3	V353 I364	V353-L376 HydrophobicContact CG2-CD1 4.01Å; I364-L376 HydrophobicContact CD1-CB 4.4Å; I364-L376 HydrophobicContact CG1-CB 4.19Å
377	I	91.6	Very high	92.7	Very high	109 Å²	109	100.8 Å²	100.8	56%	0.559	57%	0.57	S	S	*	*			trans	-125.6	133	178.8	-49.1	176.8	0	0	0	107.4	K375	K375-I377 HydrophobicContact CD-CD1 3.95Å; K375-I377 HydrophobicContact CD-CG1 4.05Å; K375-I377 HydrophobicContact CG-CD1 4.17Å; K375-I377 HydrophobicContact CG-CG1 4Å
378	E	86.1	Confident	92.4	Very high	177 Å²	177	108.8 Å²	108.8	83%	0.827	62%	0.616	S	S	*	*			trans	-103.5	132.6	169.5	-63.4	-176.8	171	0	0	108.2
379	D	67.5	Low	92	Very high	237 Å²	237	112.2 Å²	112.2	100%	1.267	63%	0.632	S	S	*	*			trans	-77.9	0	174.9	-78.7	-30	0	0	0	112.6

Retrieved 379 of 379 residues in 2894 ms (Link to these results)

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