G4LYG9_SCHMA Loading...

Isochorismatase family protein, putative

AlphaFold DB , UniProt , Accession G4LYG9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 204 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	45.4	Very low	79.9	Confident	242 Å²	242	113.5 Å²	113.5	100%	1.192	62%	0.62	S	S	*	*				0	136	0	-70.5	178	-169.5	0	0	107.2	G3	M1-G3 PolarHBondContact O-N 3.43Å
2	S	56.1	Low	81.3	Confident	100 Å²	100	106.8 Å²	106.8	70%	0.699	58%	0.583	S	S	*	*			trans	-48.9	126.5	-177.4	49.5	0	0	0	0	110.3	I4	S2-I4 PolarHBondContact O-N 3.43Å
3	G	63.7	Low	82.5	Confident	79 Å²	79	107.6 Å²	107.6	81%	0.814	60%	0.596	S	S	*	*			trans	-72	60.4	-179.9	0	0	0	0	0	111.4	M1 S5	M1-G3 PolarHBondContact O-N 3.43Å; G3-S5 PolarHBondContact O-N 2.91Å; G3-S5 VanDerWaalsContact O-N 3.14Å
4	I	75.7	Confident	83.6	Confident	138 Å²	138	105.8 Å²	105.8	71%	0.708	58%	0.576	S	S	*	*			trans	-64.9	114.8	169.8	-60.4	175.3	0	0	0	106.2	S2 R6	S2-I4 PolarHBondContact O-N 3.43Å; I4-R6 PolarHBondContact O-N 2.81Å
5	S	78.2	Confident	84.6	Confident	91 Å²	91	98.8 Å²	98.8	64%	0.636	54%	0.538	S	S	*	.			trans	-55.1	126.1	175.6	-54.9	0	0	0	0	109.6	G3 V7	G3-S5 PolarHBondContact O-N 2.91Å; G3-S5 VanDerWaalsContact O-N 3.14Å; S5-V7 PolarHBondContact O-N 3.34Å
6	R	84.9	Confident	85.5	Confident	229 Å²	229	92.6 Å²	92.6	86%	0.864	50%	0.504	S	S	*	.			trans	-77.8	102.1	168.1	-66.4	-174.1	-179.9	-173.4	0.6	107.4	I4 Y158	I4-R6 PolarHBondContact O-N 2.81Å; R6-Y158 WeakPolarHBondContact CB-OH 3.17Å; R6-Y158 PolarHBondContact O-OH 2.92Å
7	V	92.9	Very high	86.3	Confident	97 Å²	97	87.2 Å²	87.2	59%	0.588	48%	0.475	S	S	*	.			trans	-104.2	6	-174	-61.8	0	0	0	0	113.9	S5 K9	S5-V7 PolarHBondContact O-N 3.34Å; V7-K9 HydrophobicContact CG2-CG 4.03Å
8	G	94.3	Very high	87	Confident	6 Å²	6	82.4 Å²	82.4	6%	0.062	45%	0.449	C	S	.	.			trans	75	25	173.8	0	0	0	0	0	115.1	L10 Q129 H131 Y158	G8-L10 PolarHBondContact O-N 3.31Å; G8-Q129 VanDerWaalsContact CA-OE1 3.25Å; G8-H131 PolarHBondContact O-CE1 2.89Å; G8-H131 PolarHBondContact O-NE2 3.05Å; G8-Y158 PolarHBondContact N-OH 3.04Å; G8-Y158 VanDerWaalsContact N-OH 3.16Å
9	K	94.9	Very high	87.6	Confident	161 Å²	161	78.2 Å²	78.2	70%	0.7	43%	0.425	S	S	*	.			trans	-61.5	132.7	179	-77.8	-168.4	-179.6	-172.3	0	111.1	V7 Q129	V7-K9 HydrophobicContact CG2-CG 4.03Å; K9-Q129 PolarHBondContact O-NE2 3.12Å
10	L	96.3	Very high	88.2	Confident	7 Å²	7	74.3 Å²	74.3	4%	0.037	40%	0.404	C	S	.	.			trans	-88.4	139.6	173	-69.2	167.9	0	0	0	109.7	G8 T15 L106 H131 I169	G8-L10 PolarHBondContact O-N 3.31Å; L10-T15 HydrophobicContact CD2-CG2 4Å; L10-L106 HydrophobicContact CD1-CD2 3.79Å; L10-L106 HydrophobicContact CD2-CD2 3.69Å; L10-L106 HydrophobicContact CG-CD2 4.41Å; L10-H131 VanDerWaalsContact CD2-CD2 3.42Å; L10-H131 WeakPolarHBondContact CD2-CD2 3.45Å; L10-I169 HydrophobicContact CB-CB 4.23Å; L10-I169 HydrophobicContact CB-CD1 4.38Å; L10-I169 HydrophobicContact CB-CG1 4.08Å; L10-I169 HydrophobicContact CD1-CB 4.27Å
11	L	96.3	Very high	88.7	Confident	99 Å²	99	70.8 Å²	70.8	52%	0.518	39%	0.385	S	S	.	.			trans	-121.7	113.9	171.5	-65	177.7	0	0	0	107.8	R14 T15	L11-R14 CarbonylContact O-C 3.52Å; L11-R14 PolarHBondContact O-N 2.98Å; L11-T15 WeakPolarHBondContact O-CB 3.42Å; L11-T15 PolarHBondContact O-N 3.29Å; L11-T15 VanDerWaalsContact O-N 3.12Å; L11-T15 PolarHBondContact O-OG1 3.15Å
12	L	97.6	Very high	91.2	Very high	33 Å²	33	59.3 Å²	59.3	17%	0.173	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-47.1	-53.2	-174.7	-180	60.6	0	0	0	114.3	R14 T15 L50 M52 I169	L12-R14 PolarHBondContact O-N 3.2Å; L12-R14 VanDerWaalsContact O-N 3.14Å; L12-T15 PolarHBondContact O-N 3.29Å; L12-L50 HydrophobicContact CD1-CB 3.66Å; L12-L50 HydrophobicContact CD1-CD1 4.14Å; L12-L50 HydrophobicContact CD1-CG 4.41Å; L12-L50 HydrophobicContact CD2-CB 4.21Å; L12-L50 HydrophobicContact CD2-CD2 4.36Å; L12-M52 HydrophobicContact CD1-CG 3.51Å; L12-M52 HydrophobicContact CD1-SD 3.96Å; L12-I169 HydrophobicContact CB-CG1 3.98Å; L12-I169 HydrophobicContact CD1-CD1 3.91Å; L12-I169 HydrophobicContact CD1-CG1 3.98Å
13	P	96.6	Very high	93.2	Very high	117 Å²	117	54.6 Å²	54.6	76%	0.76	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-69.7	-13.4	-175.9	28.2	-36.5	0	0	0	114.3
14	R	97.8	Very high	94.9	Very high	82 Å²	82	53.7 Å²	53.7	31%	0.309	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-114.2	12.8	-179.9	-52.7	-155.4	82.3	-175	8.1	113.1	L11 L12 R99 K100 Q101 I102 D103 S104	L11-R14 CarbonylContact O-C 3.52Å; L11-R14 PolarHBondContact O-N 2.98Å; L12-R14 PolarHBondContact O-N 3.2Å; L12-R14 VanDerWaalsContact O-N 3.14Å; R14-R99 PolarHBondContact NH2-O 3.47Å; R14-K100 PolarHBondContact NH2-O 3.39Å; R14-Q101 PolarHBondContact NE-O 3.48Å; R14-Q101 VanDerWaalsContact NE-O 3.15Å; R14-I102 WeakPolarHBondContact O-CA 3.49Å; R14-D103 HydrophobicContact CB-CB 4.34Å; R14-D103 WeakPolarHBondContact CD-OD2 3.34Å; R14-D103 IonicContact CZ-OD1 3.71Å; R14-D103 IonicContact CZ-OD2 2.8Å; R14-D103 IonicContact NE-OD2 3.68Å; R14-D103 PolarHBondContact NE-OD2 2.98Å; R14-D103 VanDerWaalsContact NH1-CG 3.34Å; R14-D103 IonicContact NH1-OD1 3.15Å; R14-D103 PolarHBondContact NH1-OD1 2.87Å; R14-D103 IonicContact NH1-OD2 3.17Å; R14-D103 PolarHBondContact NH1-OD2 3.07Å; R14-D103 IonicContact NH2-OD1 2.74Å; R14-D103 IonicContact NH2-OD2 3.77Å; R14-D103 PolarHBondContact O-N 2.75Å; R14-S104 PolarHBondContact O-N 3.29Å; R14-S104 VanDerWaalsContact O-N 3.16Å; R14-S104 PolarHBondContact O-OG 3.45Å
15	T	98.5	Very high	96	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.4	179.8	-56.3	0	0	0	0	110.9	L10 L11 L12 M52 S104 L106 I169	L10-T15 HydrophobicContact CD2-CG2 4Å; L11-T15 WeakPolarHBondContact O-CB 3.42Å; L11-T15 PolarHBondContact O-N 3.29Å; L11-T15 VanDerWaalsContact O-N 3.12Å; L11-T15 PolarHBondContact O-OG1 3.15Å; L12-T15 PolarHBondContact O-N 3.29Å; T15-M52 HydrophobicContact CG2-CE 3.75Å; T15-S104 VanDerWaalsContact CA-O 3.28Å; T15-S104 WeakPolarHBondContact CA-O 3.35Å; T15-S104 PolarHBondContact OG1-OG 3.14Å; T15-L106 HydrophobicContact CG2-CD1 4.42Å; T15-L106 HydrophobicContact CG2-CD2 4.27Å; T15-L106 HydrophobicContact CG2-CG 3.81Å; T15-I169 HydrophobicContact CG2-CD1 3.93Å
16	A	98.6	Very high	96.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	153.4	170.8	0	0	0	0	0	111.6	R53 L96 I102 S104 V105 L106	A16-R53 CarbonylContact C-O 3.55Å; A16-R53 WeakPolarHBondContact CA-O 3.46Å; A16-R53 HydrophobicContact CB-CB 4Å; A16-R53 HydrophobicContact CB-CG 4.37Å; A16-L96 HydrophobicContact CB-CD2 4.08Å; A16-I102 HydrophobicContact CB-CD1 4.03Å; A16-I102 HydrophobicContact CB-CG1 4.18Å; A16-I102 HydrophobicContact CB-CG2 3.92Å; A16-S104 PolarHBondContact N-O 3.12Å; A16-V105 HydrophobicContact CB-CG2 4.44Å; A16-V105 CarbonylContact O-C 3.52Å; A16-V105 WeakPolarHBondContact O-CA 3.3Å; A16-L106 PolarHBondContact O-N 3.29Å
17	L	98.8	Very high	97.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	126.6	165.8	175.6	67.8	0	0	0	109.5	L19 M43 L44 A47 M52 R53 I54 L55 L106	L17-L19 HydrophobicContact CD1-CD2 4.44Å; L17-L19 HydrophobicContact CD2-CD1 4.31Å; L17-L19 HydrophobicContact CD2-CD2 4.28Å; L17-L19 HydrophobicContact CD2-CG 4.31Å; L17-L19 HydrophobicContact CG-CD2 4.36Å; L17-L19 HydrophobicContact CG-CG 4.27Å; L17-M43 HydrophobicContact CD1-CB 4.11Å; L17-M43 HydrophobicContact CD1-CE 4.34Å; L17-M43 HydrophobicContact CD2-CB 4.18Å; L17-M43 WeakPolarHBondContact CD2-O 3.42Å; L17-L44 HydrophobicContact CD2-CB 4.47Å; L17-A47 HydrophobicContact CB-CB 3.99Å; L17-A47 HydrophobicContact CD2-CB 3.58Å; L17-A47 HydrophobicContact CG-CB 4.41Å; L17-M52 HydrophobicContact CB-CE 4.35Å; L17-R53 PolarHBondContact N-O 2.79Å; L17-I54 HydrophobicContact CB-CG1 4.39Å; L17-I54 HydrophobicContact CB-CG2 4.38Å; L17-I54 HydrophobicContact CD2-CG2 4.22Å; L17-I54 HydrophobicContact CG-CG2 4.44Å; L17-I54 WeakPolarHBondContact O-CA 3.21Å; L17-L55 PolarHBondContact O-N 2.9Å; L17-L106 WeakPolarHBondContact CA-O 3.43Å; L17-L106 HydrophobicContact CD1-CB 3.99Å
18	L	98.9	Very high	97.8	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128	173.6	-61.2	-168.1	0	0	0	110.5	L55 M87 L96 V105 L106 L107 C108 L123	L18-L55 WeakPolarHBondContact CA-O 3.39Å; L18-L55 HydrophobicContact CD2-CB 3.81Å; L18-L55 HydrophobicContact CD2-CD2 4.3Å; L18-M87 HydrophobicContact CB-CE 3.86Å; L18-M87 HydrophobicContact CB-SD 4.01Å; L18-M87 HydrophobicContact CD1-SD 4.34Å; L18-L96 HydrophobicContact CD1-CD1 4.22Å; L18-L96 HydrophobicContact CD2-CD1 3.89Å; L18-L96 HydrophobicContact CD2-CD2 3.95Å; L18-V105 HydrophobicContact CB-CG1 4.04Å; L18-V105 HydrophobicContact CD1-CG1 3.66Å; L18-V105 HydrophobicContact CD1-CG2 4.17Å; L18-V105 HydrophobicContact CG-CG1 3.57Å; L18-V105 HydrophobicContact CG-CG2 4.34Å; L18-L106 PolarHBondContact N-O 3.34Å; L18-L107 HydrophobicContact CB-CD1 3.81Å; L18-C108 PolarHBondContact O-N 3.43Å; L18-L123 HydrophobicContact CD1-CD1 4.12Å
19	L	98.9	Very high	98	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	104.3	179.6	-63.1	166.1	0	0	0	108.9	L17 L44 I54 L55 V56 T57 L71 M87 C108	L17-L19 HydrophobicContact CD1-CD2 4.44Å; L17-L19 HydrophobicContact CD2-CD1 4.31Å; L17-L19 HydrophobicContact CD2-CD2 4.28Å; L17-L19 HydrophobicContact CD2-CG 4.31Å; L17-L19 HydrophobicContact CG-CD2 4.36Å; L17-L19 HydrophobicContact CG-CG 4.27Å; L19-L44 HydrophobicContact CD1-CB 4.22Å; L19-L44 HydrophobicContact CD1-CD1 3.99Å; L19-L44 HydrophobicContact CD1-CG 4.49Å; L19-I54 HydrophobicContact CD1-CG2 4.21Å; L19-L55 PolarHBondContact N-O 3.33Å; L19-V56 HydrophobicContact CB-CG1 4.48Å; L19-V56 HydrophobicContact CB-CG2 4.08Å; L19-V56 HydrophobicContact CD1-CG2 4.01Å; L19-V56 WeakPolarHBondContact O-CA 3.46Å; L19-T57 PolarHBondContact O-N 3.4Å; L19-T57 VanDerWaalsContact O-N 3.08Å; L19-L71 HydrophobicContact CD1-CD2 4.03Å; L19-L71 HydrophobicContact CD1-CG 4.5Å; L19-L71 HydrophobicContact CD2-CD1 4.46Å; L19-M87 WeakPolarHBondContact O-CE 3.48Å; L19-C108 HydrophobicContact CD2-CB 3.94Å
20	C	98.9	Very high	98.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	108.9	-169.6	-168.6	0	0	0	0	112.1	I22 M87 L107 C108 G109 I110 C115 V116	C20-I22 VanDerWaalsContact C-N 3.25Å; C20-I22 PolarHBondContact O-N 3.49Å; C20-M87 HydrophobicContact CB-CE 4.3Å; C20-M87 HydrophobicContact CB-CG 4.22Å; C20-M87 HydrophobicContact CB-SD 3.47Å; C20-M87 WeakPolarHBondContact CB-SD 3.47Å; C20-L107 HydrophobicContact CB-CD1 4.47Å; C20-C108 VanDerWaalsContact CB-O 3.29Å; C20-C108 WeakPolarHBondContact CB-O 3.47Å; C20-C108 PolarHBondContact N-O 2.99Å; C20-G109 CarbonylContact O-C 3.58Å; C20-G109 WeakPolarHBondContact O-CA 3.43Å; C20-I110 PolarHBondContact O-N 2.98Å; C20-C115 VanDerWaalsContact SG-CB 3.55Å; C20-V116 HydrophobicContact CB-CG2 4.1Å
21	D	98.7	Very high	98.3	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.209	C	C	.	.			trans	56.5	29.5	159.9	-51.5	-17.3	0	0	0	115.4	Q23 T57 M59 K82 I110 C115	D21-Q23 PolarHBondContact O-N 3.37Å; D21-T57 VanDerWaalsContact CA-O 3.31Å; D21-T57 WeakPolarHBondContact CA-O 3.22Å; D21-T57 PolarHBondContact N-O 3.48Å; D21-T57 WeakPolarHBondContact OD1-CB 3.4Å; D21-T57 PolarHBondContact OD1-OG1 3.49Å; D21-M59 HydrophobicContact CB-CB 4.22Å; D21-M59 PolarHBondContact OD1-N 3.28Å; D21-K82 WeakPolarHBondContact OD1-CE 3.49Å; D21-K82 IonicContact OD1-NZ 3.47Å; D21-K82 VanDerWaalsContact OD2-CE 3.3Å; D21-K82 WeakPolarHBondContact OD2-CE 3.45Å; D21-K82 IonicContact OD2-NZ 3.87Å; D21-K82 PolarHBondContact OD2-NZ 3.25Å; D21-I110 WeakPolarHBondContact O-CD1 3.49Å; D21-I110 VanDerWaalsContact O-CG1 3.27Å; D21-I110 WeakPolarHBondContact O-CG1 3.2Å; D21-C115 WeakPolarHBondContact OD2-CB 3.43Å; D21-C115 PolarHBondContact OD2-SG 3.25Å
22	I	98.8	Very high	98.3	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	20%	0.201	C	C	.	.			trans	-75.2	72.9	178.8	-50.5	179.2	0	0	0	109.9	C20 F33 V37 S40 T67 V68 L71	C20-I22 VanDerWaalsContact C-N 3.25Å; C20-I22 PolarHBondContact O-N 3.49Å; I22-F33 HydrophobicContact CG2-CE2 4.35Å; I22-F33 HydrophobicContact CG2-CZ 4.21Å; I22-V37 HydrophobicContact CG2-CG2 3.75Å; I22-S40 WeakPolarHBondContact CD1-OG 3.42Å; I22-T67 CarbonylContact O-C 3.53Å; I22-T67 VanDerWaalsContact O-CA 3.31Å; I22-T67 WeakPolarHBondContact O-CA 3.42Å; I22-V68 HydrophobicContact CG2-CG2 3.7Å; I22-V68 PolarHBondContact O-N 3.3Å; I22-L71 HydrophobicContact CD1-CD1 4.08Å
23	Q	98.8	Very high	98.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-109.1	155.8	-170.7	-64	163.4	-100	0	0	113.5	D21 K25 F26 E58 M59 G65 P66	D21-Q23 PolarHBondContact O-N 3.37Å; Q23-K25 VanDerWaalsContact C-N 3.35Å; Q23-K25 PolarHBondContact O-N 3.4Å; Q23-F26 HydrophobicContact CB-CD2 4Å; Q23-F26 HydrophobicContact CB-CE2 4.36Å; Q23-F26 PolarHBondContact O-N 3.5Å; Q23-F26 VanDerWaalsContact O-N 3.13Å; Q23-E58 HydrophobicContact CG-CB 4.36Å; Q23-E58 HydrophobicContact CG-CG 4.1Å; Q23-M59 PolarHBondContact NE2-O 3.47Å; Q23-M59 PolarHBondContact OE1-O 3.23Å; Q23-G65 PolarHBondContact NE2-O 2.69Å; Q23-P66 CarbonylContact C-O 3.58Å; Q23-P66 WeakPolarHBondContact CA-O 3.49Å; Q23-P66 WeakPolarHBondContact CB-O 3.3Å
24	E	98.4	Very high	98.5	Very high	61 Å²	61	37.2 Å²	37.2	29%	0.285	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-55.4	-40.6	-171.3	-69.7	-66.4	175.4	0	0	114.5	F26 R27 P66 V68	E24-F26 PolarHBondContact O-N 3.5Å; E24-R27 VanDerWaalsContact O-CB 3.3Å; E24-R27 WeakPolarHBondContact O-CB 3.32Å; E24-R27 PolarHBondContact O-N 3.01Å; E24-R27 IonicContact OE1-NH2 3.95Å; E24-R27 IonicContact OE2-CZ 3.71Å; E24-R27 IonicContact OE2-NE 3.9Å; E24-R27 IonicContact OE2-NH2 3.76Å; E24-R27 PolarHBondContact OE2-NH2 2.9Å; E24-P66 HydrophobicContact CG-CG 4.36Å; E24-P66 PolarHBondContact N-O 3.34Å; E24-V68 HydrophobicContact CG-CG1 4.2Å; E24-V68 WeakPolarHBondContact OE1-CA 3.39Å
25	K	98.4	Very high	98.5	Very high	125 Å²	125	33.8 Å²	33.8	54%	0.543	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-75.4	-8	-175.5	-65	-158.9	-166.3	175.1	0	114.6	Q23 G63 L64	Q23-K25 VanDerWaalsContact C-N 3.35Å; Q23-K25 PolarHBondContact O-N 3.4Å; K25-G63 WeakPolarHBondContact CD-O 3.27Å; K25-G63 WeakPolarHBondContact CE-O 3.27Å; K25-G63 PolarHBondContact NZ-O 3.31Å; K25-L64 HydrophobicContact CB-CD2 4.43Å; K25-L64 WeakPolarHBondContact CB-O 3.47Å; K25-L64 VanDerWaalsContact CG-O 3.31Å; K25-L64 WeakPolarHBondContact CG-O 3.34Å; K25-L64 PolarHBondContact N-O 3.36Å; K25-L64 VanDerWaalsContact N-O 3.12Å
26	F	98.5	Very high	98.5	Very high	29 Å²	29	33.8 Å²	33.8	13%	0.127	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-84.5	-17.4	172.6	-70.1	-69.2	0	0	0	113.2	Q23 E24 P28 T29 I30 F33 L64 I110	Q23-F26 HydrophobicContact CB-CD2 4Å; Q23-F26 HydrophobicContact CB-CE2 4.36Å; Q23-F26 PolarHBondContact O-N 3.5Å; Q23-F26 VanDerWaalsContact O-N 3.13Å; E24-F26 PolarHBondContact O-N 3.5Å; F26-P28 VanDerWaalsContact C-CD 3.46Å; F26-T29 PolarHBondContact O-N 2.94Å; F26-T29 PolarHBondContact O-OG1 3.44Å; F26-T29 VanDerWaalsContact O-OG1 3.11Å; F26-I30 HydrophobicContact CB-CG1 3.82Å; F26-I30 WeakPolarHBondContact O-CG1 3.47Å; F26-I30 PolarHBondContact O-N 3.42Å; F26-F33 HydrophobicContact CB-CE2 4.21Å; F26-L64 HydrophobicContact CE1-CD2 4.31Å; F26-L64 HydrophobicContact CE2-CB 4.32Å; F26-L64 HydrophobicContact CE2-CD1 3.88Å; F26-L64 HydrophobicContact CE2-CD2 4.29Å; F26-L64 HydrophobicContact CE2-CG 4.39Å; F26-L64 HydrophobicContact CZ-CD1 3.59Å; F26-L64 HydrophobicContact CZ-CD2 3.99Å; F26-L64 HydrophobicContact CZ-CG 4.3Å; F26-I110 HydrophobicContact CB-CD1 3.35Å; F26-I110 HydrophobicContact CD1-CD1 4.17Å; F26-I110 HydrophobicContact CD2-CD1 3.57Å; F26-I110 HydrophobicContact CE2-CD1 4.35Å; F26-I110 HydrophobicContact CG-CD1 3.45Å; F26-I110 VanDerWaalsContact CG-CD1 3.45Å
27	R	98.4	Very high	98.5	Very high	69 Å²	69	34 Å²	34	26%	0.26	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-48.8	-178.5	-175.7	179.6	-54.2	-102	10	114.9	E24 T29 F33 D34 E70	E24-R27 VanDerWaalsContact O-CB 3.3Å; E24-R27 WeakPolarHBondContact O-CB 3.32Å; E24-R27 PolarHBondContact O-N 3.01Å; E24-R27 IonicContact OE1-NH2 3.95Å; E24-R27 IonicContact OE2-CZ 3.71Å; E24-R27 IonicContact OE2-NE 3.9Å; E24-R27 IonicContact OE2-NH2 3.76Å; E24-R27 PolarHBondContact OE2-NH2 2.9Å; R27-T29 VanDerWaalsContact C-N 3.27Å; R27-T29 PolarHBondContact O-N 3.47Å; R27-F33 HydrophobicContact CB-CD1 3.83Å; R27-F33 HydrophobicContact CB-CE1 3.7Å; R27-F33 HydrophobicContact CB-CG 4.32Å; R27-F33 HydrophobicContact CB-CZ 4.1Å; R27-F33 HydrophobicContact CG-CD1 3.6Å; R27-F33 HydrophobicContact CG-CE1 3.83Å; R27-F33 HydrophobicContact CG-CG 4.3Å; R27-D34 IonicContact NH1-OD1 2.73Å; R27-D34 PolarHBondContact NH1-OD1 3.26Å; R27-E70 IonicContact CZ-OE1 2.59Å; R27-E70 VanDerWaalsContact CZ-OE1 3.23Å; R27-E70 IonicContact NH1-OE1 3.58Å; R27-E70 PolarHBondContact NH1-OE1 2.99Å; R27-E70 VanDerWaalsContact NH2-CD 3.31Å; R27-E70 IonicContact NH2-OE1 3.57Å; R27-E70 PolarHBondContact NH2-OE1 2.89Å; R27-E70 IonicContact NH2-OE2 3.52Å; R27-E70 PolarHBondContact NH2-OE2 3.21Å; R27-E70 VanDerWaalsContact NH2-OE2 3.15Å
28	P	97.9	Very high	98.5	Very high	113 Å²	113	37.2 Å²	37.2	73%	0.734	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-14.1	-176.3	29.2	-34.8	0	0	0	113.9	F26	F26-P28 VanDerWaalsContact C-CD 3.46Å
29	T	98.1	Very high	98.5	Very high	61 Å²	61	37.1 Å²	37.1	37%	0.374	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-25.5	-170.8	58.4	0	0	0	0	113.7	F26 R27 R140	F26-T29 PolarHBondContact O-N 2.94Å; F26-T29 PolarHBondContact O-OG1 3.44Å; F26-T29 VanDerWaalsContact O-OG1 3.11Å; R27-T29 VanDerWaalsContact C-N 3.27Å; R27-T29 PolarHBondContact O-N 3.47Å; T29-R140 VanDerWaalsContact O-CA 3.26Å; T29-R140 WeakPolarHBondContact O-CA 3.38Å; T29-R140 WeakPolarHBondContact O-CB 3.19Å; T29-R140 WeakPolarHBondContact O-CG 3.12Å
30	I	98.6	Very high	98.5	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.051	19%	0.191	C	C	.	.	S	Bend	trans	-80.4	130.5	-179.7	-63.8	-64.9	0	0	0	111.1	F26 H32 F33 I110 E111 R140	F26-I30 HydrophobicContact CB-CG1 3.82Å; F26-I30 WeakPolarHBondContact O-CG1 3.47Å; F26-I30 PolarHBondContact O-N 3.42Å; I30-H32 PolarHBondContact O-N 2.71Å; I30-F33 HydrophobicContact CB-CB 4.18Å; I30-F33 HydrophobicContact CB-CD2 3.75Å; I30-F33 HydrophobicContact CB-CG 4.45Å; I30-F33 HydrophobicContact CG1-CD2 4.15Å; I30-F33 HydrophobicContact CG2-CB 4.26Å; I30-F33 HydrophobicContact CG2-CD2 3.97Å; I30-F33 PolarHBondContact O-N 2.7Å; I30-I110 HydrophobicContact CD1-CB 4.12Å; I30-I110 HydrophobicContact CD1-CD1 4.12Å; I30-I110 HydrophobicContact CD1-CG2 4.13Å; I30-I110 HydrophobicContact CG1-CD1 3.81Å; I30-I110 HydrophobicContact CG1-CG2 4.26Å; I30-I110 HydrophobicContact CG2-CG2 4.02Å; I30-E111 HydrophobicContact CD1-CG 3.68Å; I30-R140 HydrophobicContact CD1-CG 4.19Å
31	S	98.1	Very high	98.5	Very high	30 Å²	30	38.3 Å²	38.3	21%	0.21	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	128.7	174.3	-73.9	0	0	0	0	110.9	F33 S138 S139 R140	S31-F33 VanDerWaalsContact C-N 3.28Å; S31-F33 PolarHBondContact O-N 3.41Å; S31-S138 PolarHBondContact O-OG 3.08Å; S31-S139 WeakPolarHBondContact CB-O 3.16Å; S31-S139 PolarHBondContact N-O 2.87Å; S31-R140 PolarHBondContact OG-O 2.85Å
32	H	97.9	Very high	98.5	Very high	79 Å²	79	39.3 Å²	39.3	37%	0.366	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	33	179.3	-55.3	-89.4	0	0	0	114.5	I30 D34 A35 I36 S192 G193	I30-H32 PolarHBondContact O-N 2.71Å; H32-D34 PolarHBondContact O-N 3.28Å; H32-A35 HydrophobicContact CB-CB 4.25Å; H32-A35 WeakPolarHBondContact O-CB 3.41Å; H32-A35 PolarHBondContact O-N 3.3Å; H32-I36 WeakPolarHBondContact O-CG1 3.32Å; H32-I36 PolarHBondContact O-N 3Å; H32-I36 VanDerWaalsContact O-N 3.12Å; H32-S192 PolarHBondContact CD2-O 3.4Å; H32-S192 VanDerWaalsContact CG-C 3.45Å; H32-G193 WeakPolarHBondContact NE2-CA 3.16Å
33	F	98.5	Very high	98.5	Very high	9 Å²	9	39.3 Å²	39.3	4%	0.039	20%	0.203	C	C	.	.	H	α-helix	trans	-47.9	-50.3	-173.6	-173.4	-97.7	0	0	0	114.1	I22 F26 R27 I30 S31 A35 I36 V37 V68 I110	I22-F33 HydrophobicContact CG2-CE2 4.35Å; I22-F33 HydrophobicContact CG2-CZ 4.21Å; F26-F33 HydrophobicContact CB-CE2 4.21Å; R27-F33 HydrophobicContact CB-CD1 3.83Å; R27-F33 HydrophobicContact CB-CE1 3.7Å; R27-F33 HydrophobicContact CB-CG 4.32Å; R27-F33 HydrophobicContact CB-CZ 4.1Å; R27-F33 HydrophobicContact CG-CD1 3.6Å; R27-F33 HydrophobicContact CG-CE1 3.83Å; R27-F33 HydrophobicContact CG-CG 4.3Å; I30-F33 HydrophobicContact CB-CB 4.18Å; I30-F33 HydrophobicContact CB-CD2 3.75Å; I30-F33 HydrophobicContact CB-CG 4.45Å; I30-F33 HydrophobicContact CG1-CD2 4.15Å; I30-F33 HydrophobicContact CG2-CB 4.26Å; I30-F33 HydrophobicContact CG2-CD2 3.97Å; I30-F33 PolarHBondContact O-N 2.7Å; S31-F33 VanDerWaalsContact C-N 3.28Å; S31-F33 PolarHBondContact O-N 3.41Å; F33-A35 VanDerWaalsContact C-N 3.3Å; F33-A35 PolarHBondContact O-N 3.12Å; F33-I36 WeakPolarHBondContact O-CB 3.46Å; F33-I36 PolarHBondContact O-N 3.15Å; F33-I36 VanDerWaalsContact O-N 3.07Å; F33-V37 HydrophobicContact CD1-CG2 3.77Å; F33-V37 HydrophobicContact CE1-CG2 3.48Å; F33-V37 VanDerWaalsContact CE1-CG2 3.48Å; F33-V37 HydrophobicContact CE2-CG2 4.33Å; F33-V37 HydrophobicContact CG-CG2 4.34Å; F33-V37 HydrophobicContact CZ-CG2 3.81Å; F33-V37 WeakPolarHBondContact O-CG2 3.37Å; F33-V37 PolarHBondContact O-N 2.87Å; F33-V68 HydrophobicContact CE1-CG1 3.91Å; F33-V68 HydrophobicContact CZ-CG1 3.63Å; F33-I110 HydrophobicContact CE2-CD1 4.19Å
34	D	98.4	Very high	98.5	Very high	106 Å²	106	39.4 Å²	39.4	57%	0.567	20%	0.203	S	C	*	.	H	α-helix	trans	-62.6	-35.7	-178	-62.5	-25.6	0	0	0	112.6	R27 H32 I36 V37 E38	R27-D34 IonicContact NH1-OD1 2.73Å; R27-D34 PolarHBondContact NH1-OD1 3.26Å; H32-D34 PolarHBondContact O-N 3.28Å; D34-I36 VanDerWaalsContact C-N 3.35Å; D34-V37 PolarHBondContact O-N 3.14Å; D34-E38 WeakPolarHBondContact O-CB 3.26Å; D34-E38 PolarHBondContact O-N 3.02Å
35	A	98.3	Very high	98.5	Very high	11 Å²	11	39.4 Å²	39.4	9%	0.091	21%	0.208	C	C	.	.	H	α-helix	trans	-66.1	-38.6	175.1	0	0	0	0	0	111.9	H32 F33 T39 P190	H32-A35 HydrophobicContact CB-CB 4.25Å; H32-A35 WeakPolarHBondContact O-CB 3.41Å; H32-A35 PolarHBondContact O-N 3.3Å; F33-A35 VanDerWaalsContact C-N 3.3Å; F33-A35 PolarHBondContact O-N 3.12Å; A35-T39 WeakPolarHBondContact O-CB 3.46Å; A35-T39 PolarHBondContact O-N 2.96Å; A35-T39 PolarHBondContact O-OG1 3.1Å; A35-P190 HydrophobicContact CB-CB 3.8Å; A35-P190 HydrophobicContact CB-CG 3.68Å; A35-P190 WeakPolarHBondContact O-CG 3.31Å
36	I	98.7	Very high	98.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-67.4	-40.9	175.9	-59.5	-59	0	0	0	110.9	H32 F33 D34 S40	H32-I36 WeakPolarHBondContact O-CG1 3.32Å; H32-I36 PolarHBondContact O-N 3Å; H32-I36 VanDerWaalsContact O-N 3.12Å; F33-I36 WeakPolarHBondContact O-CB 3.46Å; F33-I36 PolarHBondContact O-N 3.15Å; F33-I36 VanDerWaalsContact O-N 3.07Å; D34-I36 VanDerWaalsContact C-N 3.35Å; I36-S40 VanDerWaalsContact O-CB 3.24Å; I36-S40 WeakPolarHBondContact O-CB 3.49Å; I36-S40 PolarHBondContact O-N 2.96Å; I36-S40 PolarHBondContact O-OG 3.5Å
37	V	98.8	Very high	98.5	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.024	18%	0.176	C	C	.	.	H	α-helix	trans	-66.2	-47.5	176.7	176	0	0	0	0	110.9	I22 F33 D34 T39 S40 S41 V68 E70	I22-V37 HydrophobicContact CG2-CG2 3.75Å; F33-V37 HydrophobicContact CD1-CG2 3.77Å; F33-V37 HydrophobicContact CE1-CG2 3.48Å; F33-V37 VanDerWaalsContact CE1-CG2 3.48Å; F33-V37 HydrophobicContact CE2-CG2 4.33Å; F33-V37 HydrophobicContact CG-CG2 4.34Å; F33-V37 HydrophobicContact CZ-CG2 3.81Å; F33-V37 WeakPolarHBondContact O-CG2 3.37Å; F33-V37 PolarHBondContact O-N 2.87Å; D34-V37 PolarHBondContact O-N 3.14Å; V37-T39 VanDerWaalsContact C-N 3.33Å; V37-T39 PolarHBondContact O-N 2.92Å; V37-S40 PolarHBondContact O-N 3.3Å; V37-S41 WeakPolarHBondContact O-CB 3.32Å; V37-S41 PolarHBondContact O-N 3.5Å; V37-V68 HydrophobicContact CG1-CG2 3.74Å; V37-V68 HydrophobicContact CG2-CG2 3.9Å; V37-E70 HydrophobicContact CG1-CB 3.74Å
38	E	98.6	Very high	98.5	Very high	69 Å²	69	34 Å²	34	32%	0.322	18%	0.183	S	C	.	.	H	α-helix	trans	-57.7	-46.2	177	-179	178.3	159.5	0	0	110.7	D34 S41 R42 K187 P190	D34-E38 WeakPolarHBondContact O-CB 3.26Å; D34-E38 PolarHBondContact O-N 3.02Å; E38-S41 WeakPolarHBondContact O-CB 3.45Å; E38-S41 PolarHBondContact O-N 3.16Å; E38-R42 WeakPolarHBondContact O-CG 3.33Å; E38-R42 PolarHBondContact O-N 3.37Å; E38-R42 IonicContact OE1-CZ 3.84Å; E38-R42 IonicContact OE1-NE 2.95Å; E38-R42 IonicContact OE1-NH2 3.97Å; E38-R42 PolarHBondContact OE1-NH2 3.42Å; E38-K187 IonicContact OE1-NZ 3.33Å; E38-K187 PolarHBondContact OE1-NZ 2.88Å; E38-K187 IonicContact OE2-NZ 3.08Å; E38-P190 HydrophobicContact CB-CG 4.07Å; E38-P190 HydrophobicContact CG-CG 4.23Å
39	T	98.8	Very high	98.4	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68.8	-40.2	179.9	-50.6	0	0	0	0	112	A35 V37 S41 R42 M43 D135 A136 C162	A35-T39 WeakPolarHBondContact O-CB 3.46Å; A35-T39 PolarHBondContact O-N 2.96Å; A35-T39 PolarHBondContact O-OG1 3.1Å; V37-T39 VanDerWaalsContact C-N 3.33Å; V37-T39 PolarHBondContact O-N 2.92Å; T39-S41 VanDerWaalsContact C-N 3.28Å; T39-S41 PolarHBondContact O-N 3.03Å; T39-R42 WeakPolarHBondContact O-CB 3.37Å; T39-R42 PolarHBondContact O-N 3.12Å; T39-M43 WeakPolarHBondContact O-CG 3.46Å; T39-M43 PolarHBondContact O-N 3.14Å; T39-D135 VanDerWaalsContact CB-O 3.31Å; T39-D135 WeakPolarHBondContact CB-O 3.46Å; T39-D135 HydrophobicContact CG2-CB 4.31Å; T39-D135 PolarHBondContact OG1-O 2.87Å; T39-A136 HydrophobicContact CG2-CB 3.88Å; T39-C162 HydrophobicContact CG2-CB 3.45Å; T39-C162 VanDerWaalsContact CG2-CB 3.45Å
40	S	98.9	Very high	98.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.2	-35.3	173.7	-58.8	0	0	0	0	111.9	I22 I36 V37 M43 L44 L71	I22-S40 WeakPolarHBondContact CD1-OG 3.42Å; I36-S40 VanDerWaalsContact O-CB 3.24Å; I36-S40 WeakPolarHBondContact O-CB 3.49Å; I36-S40 PolarHBondContact O-N 2.96Å; I36-S40 PolarHBondContact O-OG 3.5Å; V37-S40 PolarHBondContact O-N 3.3Å; S40-M43 WeakPolarHBondContact O-CB 3.27Å; S40-M43 PolarHBondContact O-N 2.77Å; S40-L44 PolarHBondContact O-N 3.23Å; S40-L71 VanDerWaalsContact CB-CD1 3.47Å
41	S	98.7	Very high	98.3	Very high	25 Å²	25	32.8 Å²	32.8	18%	0.175	18%	0.183	C	C	.	.	H	α-helix	trans	-66.2	-39.5	175.7	-175.8	0	0	0	0	112.3	V37 E38 T39 L44 T45 E70 L71	V37-S41 WeakPolarHBondContact O-CB 3.32Å; V37-S41 PolarHBondContact O-N 3.5Å; E38-S41 WeakPolarHBondContact O-CB 3.45Å; E38-S41 PolarHBondContact O-N 3.16Å; T39-S41 VanDerWaalsContact C-N 3.28Å; T39-S41 PolarHBondContact O-N 3.03Å; S41-L44 PolarHBondContact O-N 2.68Å; S41-T45 WeakPolarHBondContact O-CB 3.5Å; S41-T45 PolarHBondContact O-N 3.2Å; S41-T45 PolarHBondContact O-OG1 3.26Å; S41-E70 PolarHBondContact OG-O 3.34Å; S41-L71 VanDerWaalsContact CA-O 3.29Å; S41-L71 WeakPolarHBondContact CA-O 3.47Å; S41-L71 WeakPolarHBondContact CB-O 3.38Å; S41-L71 PolarHBondContact OG-O 2.97Å
42	R	98.6	Very high	98.3	Very high	23 Å²	23	32.1 Å²	32.1	9%	0.087	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-45.9	171.5	-67.7	176.1	-169.8	-161.5	3.8	111.3	E38 T39 L44 T45 A46 I184 K187 P188	E38-R42 WeakPolarHBondContact O-CG 3.33Å; E38-R42 PolarHBondContact O-N 3.37Å; E38-R42 IonicContact OE1-CZ 3.84Å; E38-R42 IonicContact OE1-NE 2.95Å; E38-R42 IonicContact OE1-NH2 3.97Å; E38-R42 PolarHBondContact OE1-NH2 3.42Å; T39-R42 WeakPolarHBondContact O-CB 3.37Å; T39-R42 PolarHBondContact O-N 3.12Å; R42-L44 PolarHBondContact O-N 3.16Å; R42-T45 PolarHBondContact O-N 3.2Å; R42-A46 VanDerWaalsContact O-CB 3.32Å; R42-A46 WeakPolarHBondContact O-CB 3.34Å; R42-A46 PolarHBondContact O-N 2.99Å; R42-I184 HydrophobicContact CB-CG2 3.62Å; R42-I184 HydrophobicContact CG-CG2 3.84Å; R42-K187 PolarHBondContact NH1-O 2.73Å; R42-P188 PolarHBondContact NH1-O 3.07Å; R42-P188 PolarHBondContact NH2-O 3.34Å
43	M	98.8	Very high	98.3	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-59.9	-45.1	175	-68.7	-57.4	-59.9	0	0	111.7	L17 T39 S40 A47 L106 I133 C162 A165 L166	L17-M43 HydrophobicContact CD1-CB 4.11Å; L17-M43 HydrophobicContact CD1-CE 4.34Å; L17-M43 HydrophobicContact CD2-CB 4.18Å; L17-M43 WeakPolarHBondContact CD2-O 3.42Å; T39-M43 WeakPolarHBondContact O-CG 3.46Å; T39-M43 PolarHBondContact O-N 3.14Å; S40-M43 WeakPolarHBondContact O-CB 3.27Å; S40-M43 PolarHBondContact O-N 2.77Å; M43-A47 WeakPolarHBondContact O-CB 3.28Å; M43-A47 PolarHBondContact O-N 2.83Å; M43-L106 HydrophobicContact CE-CB 4.34Å; M43-L106 HydrophobicContact CE-CD1 3.47Å; M43-L106 VanDerWaalsContact CE-CD1 3.47Å; M43-L106 HydrophobicContact CE-CG 4.49Å; M43-I133 HydrophobicContact CE-CD1 4.16Å; M43-I133 HydrophobicContact CE-CG1 4.17Å; M43-I133 HydrophobicContact CG-CG2 4.36Å; M43-I133 HydrophobicContact SD-CG2 4.47Å; M43-C162 HydrophobicContact CG-CB 4.45Å; M43-C162 HydrophobicContact SD-CB 3.97Å; M43-C162 PolarHBondContact SD-SG 3Å; M43-A165 HydrophobicContact CE-CB 4.48Å; M43-L166 HydrophobicContact CE-CD2 4.02Å; M43-L166 HydrophobicContact CE-CG 4.4Å; M43-L166 HydrophobicContact SD-CD1 4.14Å; M43-L166 HydrophobicContact SD-CD2 4.03Å; M43-L166 HydrophobicContact SD-CG 3.87Å
44	L	98.8	Very high	98.3	Very high	2 Å²	2	33 Å²	33	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-59.1	-50.2	177	172.6	64	0	0	0	111.5	L17 L19 S40 S41 R42 A46 A47 R48 I54 L71 L74 I77	L17-L44 HydrophobicContact CD2-CB 4.47Å; L19-L44 HydrophobicContact CD1-CB 4.22Å; L19-L44 HydrophobicContact CD1-CD1 3.99Å; L19-L44 HydrophobicContact CD1-CG 4.49Å; S40-L44 PolarHBondContact O-N 3.23Å; S41-L44 PolarHBondContact O-N 2.68Å; R42-L44 PolarHBondContact O-N 3.16Å; L44-A46 PolarHBondContact O-N 2.91Å; L44-A47 PolarHBondContact O-N 3Å; L44-R48 HydrophobicContact CD1-CG 4.28Å; L44-R48 WeakPolarHBondContact O-CG 3.49Å; L44-R48 PolarHBondContact O-N 2.77Å; L44-I54 HydrophobicContact CD1-CD1 3.93Å; L44-I54 HydrophobicContact CD1-CG2 3.95Å; L44-L71 HydrophobicContact CD2-CG 4.21Å; L44-L71 WeakPolarHBondContact CD2-O 3.37Å; L44-L74 HydrophobicContact CD1-CD2 4.27Å; L44-L74 HydrophobicContact CD2-CD2 3.69Å; L44-I77 HydrophobicContact CD1-CD1 3.5Å
45	T	98.4	Very high	98.3	Very high	62 Å²	62	28 Å²	28	38%	0.38	15%	0.151	S	C	.	.	H	α-helix	trans	-62	-47.6	-177.6	-62.5	0	0	0	0	110.6	S41 R42 A47 R48 M49 I184	S41-T45 WeakPolarHBondContact O-CB 3.5Å; S41-T45 PolarHBondContact O-N 3.2Å; S41-T45 PolarHBondContact O-OG1 3.26Å; R42-T45 PolarHBondContact O-N 3.2Å; T45-A47 PolarHBondContact O-N 3.5Å; T45-R48 PolarHBondContact O-N 2.88Å; T45-M49 HydrophobicContact CG2-SD 4.09Å; T45-M49 VanDerWaalsContact O-CG 3.27Å; T45-M49 WeakPolarHBondContact O-CG 3.28Å; T45-M49 PolarHBondContact O-N 3.47Å; T45-M49 VanDerWaalsContact O-N 3.1Å; T45-I184 HydrophobicContact CG2-CD1 3.94Å
46	A	98.4	Very high	98.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.5	-46.1	175.7	0	0	0	0	0	112.3	R42 L44 R48 M49 L50 L166 I181 I184	R42-A46 VanDerWaalsContact O-CB 3.32Å; R42-A46 WeakPolarHBondContact O-CB 3.34Å; R42-A46 PolarHBondContact O-N 2.99Å; L44-A46 PolarHBondContact O-N 2.91Å; A46-R48 VanDerWaalsContact C-N 3.31Å; A46-R48 PolarHBondContact O-N 3.33Å; A46-M49 WeakPolarHBondContact O-CB 3.23Å; A46-M49 PolarHBondContact O-N 2.85Å; A46-M49 VanDerWaalsContact O-N 3.16Å; A46-L50 VanDerWaalsContact O-CG 3.27Å; A46-L50 WeakPolarHBondContact O-CG 3.4Å; A46-L50 PolarHBondContact O-N 3.4Å; A46-L166 HydrophobicContact CB-CD1 3.78Å; A46-L166 HydrophobicContact CB-CD2 3.42Å; A46-L166 VanDerWaalsContact CB-CD2 3.42Å; A46-L166 HydrophobicContact CB-CG 4.25Å; A46-I181 HydrophobicContact CB-CD1 3.62Å; A46-I184 HydrophobicContact CB-CD1 3.87Å
47	A	98.4	Very high	98.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-61	-39.2	179.3	0	0	0	0	0	112.2	L17 M43 L44 T45 L50 G51 M52 I54	L17-A47 HydrophobicContact CB-CB 3.99Å; L17-A47 HydrophobicContact CD2-CB 3.58Å; L17-A47 HydrophobicContact CG-CB 4.41Å; M43-A47 WeakPolarHBondContact O-CB 3.28Å; M43-A47 PolarHBondContact O-N 2.83Å; L44-A47 PolarHBondContact O-N 3Å; T45-A47 PolarHBondContact O-N 3.5Å; A47-L50 PolarHBondContact O-N 3.26Å; A47-G51 PolarHBondContact O-N 2.97Å; A47-M52 HydrophobicContact CB-CB 4.02Å; A47-M52 HydrophobicContact CB-CE 4.47Å; A47-M52 HydrophobicContact CB-CG 4.39Å; A47-M52 HydrophobicContact CB-SD 3.83Å; A47-M52 WeakPolarHBondContact O-CB 3.4Å; A47-M52 PolarHBondContact O-N 2.93Å; A47-I54 HydrophobicContact CB-CD1 3.68Å; A47-I54 HydrophobicContact CB-CG1 4Å
48	R	97.9	Very high	98.3	Very high	107 Å²	107	28.3 Å²	28.3	40%	0.404	15%	0.15	S	C	.	.	H	α-helix	trans	-62.4	-45.9	174.1	-72.7	-171.8	73.1	105.6	10.3	111.5	L44 T45 A46 L50 G51 I54 D73 N75 I77	L44-R48 HydrophobicContact CD1-CG 4.28Å; L44-R48 WeakPolarHBondContact O-CG 3.49Å; L44-R48 PolarHBondContact O-N 2.77Å; T45-R48 PolarHBondContact O-N 2.88Å; A46-R48 VanDerWaalsContact C-N 3.31Å; A46-R48 PolarHBondContact O-N 3.33Å; R48-L50 VanDerWaalsContact C-N 3.26Å; R48-L50 PolarHBondContact O-N 3.47Å; R48-G51 PolarHBondContact O-N 3.16Å; R48-G51 VanDerWaalsContact O-N 3.12Å; R48-I54 HydrophobicContact CB-CD1 4.39Å; R48-I54 HydrophobicContact CG-CD1 3.55Å; R48-D73 PolarHBondContact NH1-O 2.9Å; R48-N75 PolarHBondContact NH1-O 3.33Å; R48-N75 PolarHBondContact NH2-O 2.59Å; R48-I77 HydrophobicContact CG-CD1 4.41Å
49	M	97.2	Very high	98.3	Very high	71 Å²	71	26.5 Å²	26.5	35%	0.35	14%	0.142	S	C	.	.	H	α-helix	trans	-63.3	-34.2	179.8	-68.8	171.7	68.4	0	0	112.8	T45 A46 G51 D180 I184	T45-M49 HydrophobicContact CG2-SD 4.09Å; T45-M49 VanDerWaalsContact O-CG 3.27Å; T45-M49 WeakPolarHBondContact O-CG 3.28Å; T45-M49 PolarHBondContact O-N 3.47Å; T45-M49 VanDerWaalsContact O-N 3.1Å; A46-M49 WeakPolarHBondContact O-CB 3.23Å; A46-M49 PolarHBondContact O-N 2.85Å; A46-M49 VanDerWaalsContact O-N 3.16Å; M49-G51 VanDerWaalsContact C-N 3.27Å; M49-G51 PolarHBondContact O-N 2.97Å; M49-D180 HydrophobicContact CE-CB 3.21Å; M49-I184 HydrophobicContact SD-CD1 3.75Å
50	L	97.8	Very high	98.3	Very high	19 Å²	19	30.4 Å²	30.4	10%	0.099	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	2.7	178.5	-60	172.3	0	0	0	113.4	L12 A46 A47 R48 M52 I169 L170 Q177 I181	L12-L50 HydrophobicContact CD1-CB 3.66Å; L12-L50 HydrophobicContact CD1-CD1 4.14Å; L12-L50 HydrophobicContact CD1-CG 4.41Å; L12-L50 HydrophobicContact CD2-CB 4.21Å; L12-L50 HydrophobicContact CD2-CD2 4.36Å; A46-L50 VanDerWaalsContact O-CG 3.27Å; A46-L50 WeakPolarHBondContact O-CG 3.4Å; A46-L50 PolarHBondContact O-N 3.4Å; A47-L50 PolarHBondContact O-N 3.26Å; R48-L50 VanDerWaalsContact C-N 3.26Å; R48-L50 PolarHBondContact O-N 3.47Å; L50-M52 HydrophobicContact CB-CG 4.09Å; L50-M52 HydrophobicContact CB-SD 4.43Å; L50-M52 HydrophobicContact CD1-SD 4.39Å; L50-M52 PolarHBondContact O-N 2.82Å; L50-I169 HydrophobicContact CD1-CG2 4.14Å; L50-L170 HydrophobicContact CD1-CD2 4.3Å; L50-L170 HydrophobicContact CD2-CD2 3.58Å; L50-Q177 HydrophobicContact CD2-CB 3.75Å; L50-Q177 HydrophobicContact CD2-CG 4.15Å; L50-I181 HydrophobicContact CD1-CD1 4.08Å; L50-I181 HydrophobicContact CD1-CG1 4.44Å; L50-I181 HydrophobicContact CD2-CD1 4.28Å; L50-I181 HydrophobicContact CD2-CG1 4.17Å; L50-I181 HydrophobicContact CG-CD1 4.04Å; L50-I181 HydrophobicContact CG-CG1 4.44Å
51	G	96.9	Very high	98.3	Very high	69 Å²	69	32.1 Å²	32.1	71%	0.711	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	25.9	-179.6	0	0	0	0	0	113.5	A47 R48 M49	A47-G51 PolarHBondContact O-N 2.97Å; R48-G51 PolarHBondContact O-N 3.16Å; R48-G51 VanDerWaalsContact O-N 3.12Å; M49-G51 VanDerWaalsContact C-N 3.27Å; M49-G51 PolarHBondContact O-N 2.97Å
52	M	97.9	Very high	98.3	Very high	17 Å²	17	39.9 Å²	39.9	8%	0.084	20%	0.199	C	C	.	.			trans	-68.4	153.7	178.4	-66.2	175.1	61.2	0	0	110.8	L12 T15 L17 A47 L50 I54 L106 I169	L12-M52 HydrophobicContact CD1-CG 3.51Å; L12-M52 HydrophobicContact CD1-SD 3.96Å; T15-M52 HydrophobicContact CG2-CE 3.75Å; L17-M52 HydrophobicContact CB-CE 4.35Å; A47-M52 HydrophobicContact CB-CB 4.02Å; A47-M52 HydrophobicContact CB-CE 4.47Å; A47-M52 HydrophobicContact CB-CG 4.39Å; A47-M52 HydrophobicContact CB-SD 3.83Å; A47-M52 WeakPolarHBondContact O-CB 3.4Å; A47-M52 PolarHBondContact O-N 2.93Å; L50-M52 HydrophobicContact CB-CG 4.09Å; L50-M52 HydrophobicContact CB-SD 4.43Å; L50-M52 HydrophobicContact CD1-SD 4.39Å; L50-M52 PolarHBondContact O-N 2.82Å; M52-I54 WeakPolarHBondContact O-CG1 3.43Å; M52-L106 HydrophobicContact CE-CD1 3.92Å; M52-L106 HydrophobicContact CE-CG 4.38Å; M52-I169 HydrophobicContact CE-CD1 4Å; M52-I169 HydrophobicContact SD-CD1 4.02Å
53	R	97.5	Very high	98.2	Very high	94 Å²	94	39.7 Å²	39.7	36%	0.355	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	131.9	165.7	-174.2	67.8	64.2	130.9	5.1	108.7	A16 L17 I95 L96 I102	A16-R53 CarbonylContact C-O 3.55Å; A16-R53 WeakPolarHBondContact CA-O 3.46Å; A16-R53 HydrophobicContact CB-CB 4Å; A16-R53 HydrophobicContact CB-CG 4.37Å; L17-R53 PolarHBondContact N-O 2.79Å; R53-I95 PolarHBondContact NH1-O 2.77Å; R53-L96 HydrophobicContact CG-CD2 4.02Å; R53-I102 HydrophobicContact CB-CD1 4.11Å
54	I	98.6	Very high	98.2	Very high	12 Å²	12	41.7 Å²	41.7	6%	0.062	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.6	-179.2	-47.8	175.2	0	0	0	108.9	L17 L19 L44 A47 R48 M52 I77	L17-I54 HydrophobicContact CB-CG1 4.39Å; L17-I54 HydrophobicContact CB-CG2 4.38Å; L17-I54 HydrophobicContact CD2-CG2 4.22Å; L17-I54 HydrophobicContact CG-CG2 4.44Å; L17-I54 WeakPolarHBondContact O-CA 3.21Å; L19-I54 HydrophobicContact CD1-CG2 4.21Å; L44-I54 HydrophobicContact CD1-CD1 3.93Å; L44-I54 HydrophobicContact CD1-CG2 3.95Å; A47-I54 HydrophobicContact CB-CD1 3.68Å; A47-I54 HydrophobicContact CB-CG1 4Å; R48-I54 HydrophobicContact CB-CD1 4.39Å; R48-I54 HydrophobicContact CG-CD1 3.55Å; M52-I54 WeakPolarHBondContact O-CG1 3.43Å; I54-I77 HydrophobicContact CB-CD1 4.18Å; I54-I77 HydrophobicContact CB-CG1 4.49Å; I54-I77 HydrophobicContact CB-CG2 4.13Å; I54-I77 HydrophobicContact CD1-CD1 4.07Å; I54-I77 HydrophobicContact CG2-CD1 4.02Å; I54-I77 HydrophobicContact CG2-CG2 3.92Å
55	L	98.6	Very high	98.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	140.1	174.4	-177.3	145.9	0	0	0	110.5	L17 L18 L19 T57 I80 M87 V92 I95 L96	L17-L55 PolarHBondContact O-N 2.9Å; L18-L55 WeakPolarHBondContact CA-O 3.39Å; L18-L55 HydrophobicContact CD2-CB 3.81Å; L18-L55 HydrophobicContact CD2-CD2 4.3Å; L19-L55 PolarHBondContact N-O 3.33Å; L55-T57 HydrophobicContact CD2-CG2 3.87Å; L55-I80 HydrophobicContact CD1-CG1 4.21Å; L55-I80 HydrophobicContact CG-CG1 4.45Å; L55-M87 HydrophobicContact CD2-CE 3.99Å; L55-V92 HydrophobicContact CD1-CB 4.33Å; L55-V92 HydrophobicContact CD1-CG1 4.06Å; L55-V92 HydrophobicContact CD1-CG2 4Å; L55-V92 HydrophobicContact CD2-CG1 4.05Å; L55-V92 HydrophobicContact CD2-CG2 3.84Å; L55-I95 HydrophobicContact CD1-CB 4.12Å; L55-I95 HydrophobicContact CD1-CD1 4.18Å; L55-I95 HydrophobicContact CD1-CG2 3.85Å; L55-L96 HydrophobicContact CB-CD2 4.39Å; L55-L96 HydrophobicContact CD1-CG 4.49Å
56	V	98.9	Very high	98.2	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143.6	176.3	-176.2	0	0	0	0	108.7	L19 T67 L74 I77 P78 I79 I80	L19-V56 HydrophobicContact CB-CG1 4.48Å; L19-V56 HydrophobicContact CB-CG2 4.08Å; L19-V56 HydrophobicContact CD1-CG2 4.01Å; L19-V56 WeakPolarHBondContact O-CA 3.46Å; V56-T67 HydrophobicContact CG1-CG2 4.17Å; V56-L74 HydrophobicContact CG2-CD1 4.41Å; V56-L74 HydrophobicContact CG2-CD2 3.9Å; V56-I77 HydrophobicContact CG2-CG2 3.99Å; V56-P78 PolarHBondContact N-O 3.02Å; V56-I79 HydrophobicContact CB-CB 4.5Å; V56-I79 HydrophobicContact CB-CG1 4.17Å; V56-I79 HydrophobicContact CB-CG2 4.37Å; V56-I79 HydrophobicContact CG1-CG2 4.24Å; V56-I79 WeakPolarHBondContact O-CA 3.19Å; V56-I80 PolarHBondContact O-N 3.03Å
57	T	98.8	Very high	98.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	153	164.6	60.2	0	0	0	0	112.1	L19 D21 L55 I80 K82 M87 V92	L19-T57 PolarHBondContact O-N 3.4Å; L19-T57 VanDerWaalsContact O-N 3.08Å; D21-T57 VanDerWaalsContact CA-O 3.31Å; D21-T57 WeakPolarHBondContact CA-O 3.22Å; D21-T57 PolarHBondContact N-O 3.48Å; D21-T57 WeakPolarHBondContact OD1-CB 3.4Å; D21-T57 PolarHBondContact OD1-OG1 3.49Å; L55-T57 HydrophobicContact CD2-CG2 3.87Å; T57-I80 CarbonylContact C-O 3.57Å; T57-I80 VanDerWaalsContact CA-O 3.23Å; T57-I80 WeakPolarHBondContact CA-O 3.49Å; T57-I80 HydrophobicContact CG2-CB 4.4Å; T57-K82 HydrophobicContact CG2-CD 4.35Å; T57-K82 WeakPolarHBondContact OG1-CE 3.41Å; T57-M87 HydrophobicContact CG2-CB 3.84Å; T57-M87 HydrophobicContact CG2-CE 3.53Å; T57-M87 HydrophobicContact CG2-CG 3.87Å; T57-M87 WeakPolarHBondContact OG1-CE 3.48Å; T57-M87 WeakPolarHBondContact OG1-CG 3.44Å; T57-V92 HydrophobicContact CG2-CG2 4.26Å
58	E	98.8	Very high	98.2	Very high	21 Å²	21	43.4 Å²	43.4	10%	0.098	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.2	170.4	-67.8	-179.3	164	0	0	109.9	Q23 Y60 P61 P66 T67 I79 I80 S81 K82	Q23-E58 HydrophobicContact CG-CB 4.36Å; Q23-E58 HydrophobicContact CG-CG 4.1Å; E58-Y60 PolarHBondContact O-N 3Å; E58-P61 HydrophobicContact CB-CB 4.09Å; E58-P61 HydrophobicContact CB-CG 4.12Å; E58-P61 WeakPolarHBondContact OE2-CB 3.45Å; E58-P66 WeakPolarHBondContact OE1-CA 3.44Å; E58-T67 VanDerWaalsContact CG-OG1 3.32Å; E58-T67 WeakPolarHBondContact CG-OG1 3.37Å; E58-T67 WeakPolarHBondContact OE1-CB 3.46Å; E58-T67 PolarHBondContact OE1-N 3.41Å; E58-T67 PolarHBondContact OE1-OG1 2.83Å; E58-I79 HydrophobicContact CG-CG2 3.76Å; E58-I80 PolarHBondContact N-O 3.23Å; E58-S81 CarbonylContact O-C 3.59Å; E58-S81 WeakPolarHBondContact O-CA 3.23Å; E58-K82 PolarHBondContact O-N 2.8Å
59	M	98.7	Very high	98.2	Very high	31 Å²	31	47 Å²	47	15%	0.153	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	119.2	169.2	-178	60	174.9	0	0	109.1	D21 Q23 L64 K82 R83 F85	D21-M59 HydrophobicContact CB-CB 4.22Å; D21-M59 PolarHBondContact OD1-N 3.28Å; Q23-M59 PolarHBondContact NE2-O 3.47Å; Q23-M59 PolarHBondContact OE1-O 3.23Å; M59-L64 HydrophobicContact CB-CD1 4.01Å; M59-L64 HydrophobicContact CG-CD1 3.72Å; M59-L64 WeakPolarHBondContact O-CB 3.29Å; M59-L64 VanDerWaalsContact O-CD1 3.22Å; M59-L64 WeakPolarHBondContact O-CD1 3.49Å; M59-K82 HydrophobicContact SD-CG 4.47Å; M59-R83 WeakPolarHBondContact CE-O 3.15Å; M59-F85 HydrophobicContact CE-CD1 4.36Å; M59-F85 HydrophobicContact CE-CE1 4.2Å
60	Y	98.3	Very high	98.3	Very high	83 Å²	83	48.2 Å²	48.2	33%	0.325	25%	0.253	S	S	.	.	S	Bend	trans	36.4	63.3	174.6	-176.8	-134.3	0	0	0	114.2	E58 K62 G63 L64 K82 R83	E58-Y60 PolarHBondContact O-N 3Å; Y60-K62 HydrophobicContact CD2-CB 4.37Å; Y60-K62 HydrophobicContact CE2-CB 3.87Å; Y60-K62 HydrophobicContact CE2-CG 4.49Å; Y60-K62 PolarHBondContact O-N 3.29Å; Y60-K62 VanDerWaalsContact O-N 3.12Å; Y60-G63 VanDerWaalsContact CE1-CA 3.43Å; Y60-G63 WeakPolarHBondContact O-CA 3.35Å; Y60-G63 PolarHBondContact O-N 3.5Å; Y60-L64 PolarHBondContact O-N 3.06Å; Y60-K82 PolarHBondContact N-O 3.05Å; Y60-R83 VanDerWaalsContact CD2-CZ 3.5Å
61	P	98.1	Very high	98.3	Very high	35 Å²	35	47.3 Å²	47.3	23%	0.227	25%	0.248	C	C	.	.	H	α-helix	trans	-61.6	-28.4	-169.5	20.2	-31.8	0	0	0	114.1	E58 G63 L64 G65 S81	E58-P61 HydrophobicContact CB-CB 4.09Å; E58-P61 HydrophobicContact CB-CG 4.12Å; E58-P61 WeakPolarHBondContact OE2-CB 3.45Å; P61-G63 PolarHBondContact O-N 2.88Å; P61-L64 PolarHBondContact O-N 3.38Å; P61-G65 WeakPolarHBondContact CA-O 3.25Å; P61-G65 VanDerWaalsContact O-CA 3.31Å; P61-G65 WeakPolarHBondContact O-CA 3.18Å; P61-G65 PolarHBondContact O-N 3.27Å; P61-S81 WeakPolarHBondContact CG-OG 3.33Å
62	K	98.1	Very high	98.3	Very high	188 Å²	188	45.6 Å²	45.6	82%	0.817	23%	0.231	S	C	*	.	H	α-helix	trans	-55.4	-37.9	170.5	-176.9	177.4	-179.1	178	0	112.2	Y60	Y60-K62 HydrophobicContact CD2-CB 4.37Å; Y60-K62 HydrophobicContact CE2-CB 3.87Å; Y60-K62 HydrophobicContact CE2-CG 4.49Å; Y60-K62 PolarHBondContact O-N 3.29Å; Y60-K62 VanDerWaalsContact O-N 3.12Å
63	G	98	Very high	98.3	Very high	20 Å²	20	48.9 Å²	48.9	21%	0.206	25%	0.248	C	C	.	.	H	α-helix	trans	-90.9	-36.5	178.8	0	0	0	0	0	114	K25 Y60 P61	K25-G63 WeakPolarHBondContact CD-O 3.27Å; K25-G63 WeakPolarHBondContact CE-O 3.27Å; K25-G63 PolarHBondContact NZ-O 3.31Å; Y60-G63 VanDerWaalsContact CE1-CA 3.43Å; Y60-G63 WeakPolarHBondContact O-CA 3.35Å; Y60-G63 PolarHBondContact O-N 3.5Å; P61-G63 PolarHBondContact O-N 2.88Å
64	L	98.3	Very high	98.3	Very high	42 Å²	42	45.9 Å²	45.9	22%	0.22	24%	0.239	C	C	.	.	H	α-helix	trans	-108.4	2.1	-168.4	-67.6	167.7	0	0	0	114.6	K25 F26 M59 Y60 P61	K25-L64 HydrophobicContact CB-CD2 4.43Å; K25-L64 WeakPolarHBondContact CB-O 3.47Å; K25-L64 VanDerWaalsContact CG-O 3.31Å; K25-L64 WeakPolarHBondContact CG-O 3.34Å; K25-L64 PolarHBondContact N-O 3.36Å; K25-L64 VanDerWaalsContact N-O 3.12Å; F26-L64 HydrophobicContact CE1-CD2 4.31Å; F26-L64 HydrophobicContact CE2-CB 4.32Å; F26-L64 HydrophobicContact CE2-CD1 3.88Å; F26-L64 HydrophobicContact CE2-CD2 4.29Å; F26-L64 HydrophobicContact CE2-CG 4.39Å; F26-L64 HydrophobicContact CZ-CD1 3.59Å; F26-L64 HydrophobicContact CZ-CD2 3.99Å; F26-L64 HydrophobicContact CZ-CG 4.3Å; M59-L64 HydrophobicContact CB-CD1 4.01Å; M59-L64 HydrophobicContact CG-CD1 3.72Å; M59-L64 WeakPolarHBondContact O-CB 3.29Å; M59-L64 VanDerWaalsContact O-CD1 3.22Å; M59-L64 WeakPolarHBondContact O-CD1 3.49Å; Y60-L64 PolarHBondContact O-N 3.06Å; P61-L64 PolarHBondContact O-N 3.38Å
65	G	98.3	Very high	98.2	Very high	13 Å²	13	51 Å²	51	13%	0.134	27%	0.267	C	S	.	.			trans	78.1	174.9	-178.2	0	0	0	0	0	112.7	Q23 P61	Q23-G65 PolarHBondContact NE2-O 2.69Å; P61-G65 WeakPolarHBondContact CA-O 3.25Å; P61-G65 VanDerWaalsContact O-CA 3.31Å; P61-G65 WeakPolarHBondContact O-CA 3.18Å; P61-G65 PolarHBondContact O-N 3.27Å
66	P	98.4	Very high	98.2	Very high	76 Å²	76	55.1 Å²	55.1	49%	0.494	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-76.8	172	176.1	34.8	-36.2	0	0	0	111.3	Q23 E24 E58	Q23-P66 CarbonylContact C-O 3.58Å; Q23-P66 WeakPolarHBondContact CA-O 3.49Å; Q23-P66 WeakPolarHBondContact CB-O 3.3Å; E24-P66 HydrophobicContact CG-CG 4.36Å; E24-P66 PolarHBondContact N-O 3.34Å; E58-P66 WeakPolarHBondContact OE1-CA 3.44Å
67	T	98.8	Very high	98.1	Very high	11 Å²	11	56 Å²	56	7%	0.067	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-54.4	140	165.4	-55.5	0	0	0	0	110.3	I22 V56 E58 L71 L74	I22-T67 CarbonylContact O-C 3.53Å; I22-T67 VanDerWaalsContact O-CA 3.31Å; I22-T67 WeakPolarHBondContact O-CA 3.42Å; V56-T67 HydrophobicContact CG1-CG2 4.17Å; E58-T67 VanDerWaalsContact CG-OG1 3.32Å; E58-T67 WeakPolarHBondContact CG-OG1 3.37Å; E58-T67 WeakPolarHBondContact OE1-CB 3.46Å; E58-T67 PolarHBondContact OE1-N 3.41Å; E58-T67 PolarHBondContact OE1-OG1 2.83Å; T67-L71 HydrophobicContact CG2-CD2 3.55Å; T67-L74 HydrophobicContact CG2-CD1 3.89Å
68	V	98.7	Very high	98.1	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.012	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-66.1	141.1	-178.3	-58.8	0	0	0	0	112.4	I22 E24 F33 V37 E70 L71	I22-V68 HydrophobicContact CG2-CG2 3.7Å; I22-V68 PolarHBondContact O-N 3.3Å; E24-V68 HydrophobicContact CG-CG1 4.2Å; E24-V68 WeakPolarHBondContact OE1-CA 3.39Å; F33-V68 HydrophobicContact CE1-CG1 3.91Å; F33-V68 HydrophobicContact CZ-CG1 3.63Å; V37-V68 HydrophobicContact CG1-CG2 3.74Å; V37-V68 HydrophobicContact CG2-CG2 3.9Å; V68-E70 VanDerWaalsContact C-N 3.32Å; V68-E70 PolarHBondContact O-N 3.5Å; V68-L71 HydrophobicContact CG2-CB 4.16Å; V68-L71 VanDerWaalsContact O-CB 3.31Å; V68-L71 WeakPolarHBondContact O-CB 3.31Å; V68-L71 PolarHBondContact O-N 2.72Å
69	K	98.3	Very high	98.1	Very high	181 Å²	181	60.6 Å²	60.6	79%	0.787	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-70.6	-29.6	-176.6	-67.2	-177.3	-179.3	179	0	112.9	L71 G72	K69-L71 PolarHBondContact O-N 3.18Å; K69-L71 VanDerWaalsContact O-N 3.14Å; K69-G72 PolarHBondContact O-N 2.92Å; K69-G72 VanDerWaalsContact O-N 3.1Å
70	E	98.4	Very high	98.1	Very high	98 Å²	98	59.6 Å²	59.6	46%	0.458	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-66.3	-11.8	179.6	-56.4	96.1	129.5	0	0	112.6	R27 V37 S41 V68 G72	R27-E70 IonicContact CZ-OE1 2.59Å; R27-E70 VanDerWaalsContact CZ-OE1 3.23Å; R27-E70 IonicContact NH1-OE1 3.58Å; R27-E70 PolarHBondContact NH1-OE1 2.99Å; R27-E70 VanDerWaalsContact NH2-CD 3.31Å; R27-E70 IonicContact NH2-OE1 3.57Å; R27-E70 PolarHBondContact NH2-OE1 2.89Å; R27-E70 IonicContact NH2-OE2 3.52Å; R27-E70 PolarHBondContact NH2-OE2 3.21Å; R27-E70 VanDerWaalsContact NH2-OE2 3.15Å; V37-E70 HydrophobicContact CG1-CB 3.74Å; S41-E70 PolarHBondContact OG-O 3.34Å; V68-E70 VanDerWaalsContact C-N 3.32Å; V68-E70 PolarHBondContact O-N 3.5Å; E70-G72 PolarHBondContact O-N 2.74Å
71	L	98	Very high	98.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-62.8	-34.6	171.3	-165.7	61	0	0	0	111.4	L19 I22 S40 S41 L44 T67 V68 K69 L74	L19-L71 HydrophobicContact CD1-CD2 4.03Å; L19-L71 HydrophobicContact CD1-CG 4.5Å; L19-L71 HydrophobicContact CD2-CD1 4.46Å; I22-L71 HydrophobicContact CD1-CD1 4.08Å; S40-L71 VanDerWaalsContact CB-CD1 3.47Å; S41-L71 VanDerWaalsContact CA-O 3.29Å; S41-L71 WeakPolarHBondContact CA-O 3.47Å; S41-L71 WeakPolarHBondContact CB-O 3.38Å; S41-L71 PolarHBondContact OG-O 2.97Å; L44-L71 HydrophobicContact CD2-CG 4.21Å; L44-L71 WeakPolarHBondContact CD2-O 3.37Å; T67-L71 HydrophobicContact CG2-CD2 3.55Å; V68-L71 HydrophobicContact CG2-CB 4.16Å; V68-L71 VanDerWaalsContact O-CB 3.31Å; V68-L71 WeakPolarHBondContact O-CB 3.31Å; V68-L71 PolarHBondContact O-N 2.72Å; K69-L71 PolarHBondContact O-N 3.18Å; K69-L71 VanDerWaalsContact O-N 3.14Å; L71-L74 HydrophobicContact CD2-CD2 4.47Å
72	G	97.1	Very high	98.1	Very high	33 Å²	33	58 Å²	58	34%	0.34	34%	0.337	S	S	.	.			trans	121.3	-162	176.3	0	0	0	0	0	113.8	K69 E70 L74	K69-G72 PolarHBondContact O-N 2.92Å; K69-G72 VanDerWaalsContact O-N 3.1Å; E70-G72 PolarHBondContact O-N 2.74Å; G72-L74 PolarHBondContact O-N 2.98Å
73	D	96.8	Very high	98.1	Very high	85 Å²	85	57.3 Å²	57.3	46%	0.455	33%	0.329	S	S	.	.			trans	-76.9	109.3	-176.5	-177	18	0	0	0	112.6	R48 N75	R48-D73 PolarHBondContact NH1-O 2.9Å; D73-N75 WeakPolarHBondContact OD1-CB 3.13Å; D73-N75 PolarHBondContact OD1-N 2.89Å; D73-N75 PolarHBondContact OD1-ND2 2.93Å
74	L	98	Very high	98.1	Very high	31 Å²	31	59.2 Å²	59.2	16%	0.162	34%	0.339	C	S	.	.			trans	-94.1	8	177.1	-60.8	179.3	0	0	0	113.6	L44 V56 T67 L71 G72 G76 I77 I79	L44-L74 HydrophobicContact CD1-CD2 4.27Å; L44-L74 HydrophobicContact CD2-CD2 3.69Å; V56-L74 HydrophobicContact CG2-CD1 4.41Å; V56-L74 HydrophobicContact CG2-CD2 3.9Å; T67-L74 HydrophobicContact CG2-CD1 3.89Å; L71-L74 HydrophobicContact CD2-CD2 4.47Å; G72-L74 PolarHBondContact O-N 2.98Å; L74-G76 PolarHBondContact O-N 3.4Å; L74-I77 HydrophobicContact CD2-CD1 4.13Å; L74-I77 WeakPolarHBondContact O-CB 3.45Å; L74-I77 PolarHBondContact O-N 2.86Å; L74-I79 HydrophobicContact CB-CD1 4.26Å; L74-I79 HydrophobicContact CD1-CD1 3.87Å
75	N	97.5	Very high	98.1	Very high	119 Å²	119	62.8 Å²	62.8	64%	0.636	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	128.6	177.5	-73	-37.9	0	0	0	111.4	R48 D73 I77	R48-N75 PolarHBondContact NH1-O 3.33Å; R48-N75 PolarHBondContact NH2-O 2.59Å; D73-N75 WeakPolarHBondContact OD1-CB 3.13Å; D73-N75 PolarHBondContact OD1-N 2.89Å; D73-N75 PolarHBondContact OD1-ND2 2.93Å; N75-I77 PolarHBondContact O-N 2.95Å
76	G	97.5	Very high	98.1	Very high	87 Å²	87	62.9 Å²	62.9	90%	0.897	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	1.7	-177	0	0	0	0	0	115	L74	L74-G76 PolarHBondContact O-N 3.4Å
77	I	98.2	Very high	98.2	Very high	21 Å²	21	59.3 Å²	59.3	11%	0.108	33%	0.328	C	S	.	.			trans	-96.6	126.2	177.4	-60	-179.2	0	0	0	108.9	L44 R48 I54 V56 L74 N75 I79	L44-I77 HydrophobicContact CD1-CD1 3.5Å; R48-I77 HydrophobicContact CG-CD1 4.41Å; I54-I77 HydrophobicContact CB-CD1 4.18Å; I54-I77 HydrophobicContact CB-CG1 4.49Å; I54-I77 HydrophobicContact CB-CG2 4.13Å; I54-I77 HydrophobicContact CD1-CD1 4.07Å; I54-I77 HydrophobicContact CG2-CD1 4.02Å; I54-I77 HydrophobicContact CG2-CG2 3.92Å; V56-I77 HydrophobicContact CG2-CG2 3.99Å; L74-I77 HydrophobicContact CD2-CD1 4.13Å; L74-I77 WeakPolarHBondContact O-CB 3.45Å; L74-I77 PolarHBondContact O-N 2.86Å; N75-I77 PolarHBondContact O-N 2.95Å; I77-I79 PolarHBondContact O-N 3.23Å
78	P	98.1	Very high	98.1	Very high	46 Å²	46	59.4 Å²	59.4	30%	0.299	33%	0.328	S	S	.	.			trans	-61	129.6	174.7	-23.1	33.8	0	0	0	111.9	V56 I80 I95	V56-P78 PolarHBondContact N-O 3.02Å; P78-I80 HydrophobicContact CB-CD1 4.22Å; P78-I95 HydrophobicContact CB-CD1 4.13Å; P78-I95 HydrophobicContact CG-CG2 4.22Å
79	I	98.5	Very high	98	Very high	71 Å²	71	60.9 Å²	60.9	36%	0.364	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	109.8	173.2	-52.7	179	0	0	0	107.7	V56 E58 L74 I77	V56-I79 HydrophobicContact CB-CB 4.5Å; V56-I79 HydrophobicContact CB-CG1 4.17Å; V56-I79 HydrophobicContact CB-CG2 4.37Å; V56-I79 HydrophobicContact CG1-CG2 4.24Å; V56-I79 WeakPolarHBondContact O-CA 3.19Å; E58-I79 HydrophobicContact CG-CG2 3.76Å; L74-I79 HydrophobicContact CB-CD1 4.26Å; L74-I79 HydrophobicContact CD1-CD1 3.87Å; I77-I79 PolarHBondContact O-N 3.23Å
80	I	98.5	Very high	97.9	Very high	9 Å²	9	58.3 Å²	58.3	5%	0.046	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.1	-172.8	-50.9	-51.3	0	0	0	110.7	L55 V56 T57 E58 P78 E91 V92 I95	L55-I80 HydrophobicContact CD1-CG1 4.21Å; L55-I80 HydrophobicContact CG-CG1 4.45Å; V56-I80 PolarHBondContact O-N 3.03Å; T57-I80 CarbonylContact C-O 3.57Å; T57-I80 VanDerWaalsContact CA-O 3.23Å; T57-I80 WeakPolarHBondContact CA-O 3.49Å; T57-I80 HydrophobicContact CG2-CB 4.4Å; E58-I80 PolarHBondContact N-O 3.23Å; P78-I80 HydrophobicContact CB-CD1 4.22Å; I80-E91 HydrophobicContact CD1-CG 4.11Å; I80-E91 WeakPolarHBondContact CD1-OE1 3.5Å; I80-E91 HydrophobicContact CG2-CG 4.39Å; I80-V92 HydrophobicContact CB-CG2 4.04Å; I80-V92 HydrophobicContact CG1-CG2 3.96Å; I80-V92 HydrophobicContact CG2-CG2 4.05Å; I80-I95 HydrophobicContact CD1-CD1 3.79Å; I80-I95 HydrophobicContact CG1-CD1 4.19Å
81	S	98.4	Very high	97.8	Very high	75 Å²	75	58.9 Å²	58.9	52%	0.524	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	136.1	174.9	-68	0	0	0	0	111.4	E58 P61	E58-S81 CarbonylContact O-C 3.59Å; E58-S81 WeakPolarHBondContact O-CA 3.23Å; P61-S81 WeakPolarHBondContact CG-OG 3.33Å
82	K	98.5	Very high	97.8	Very high	11 Å²	11	58.9 Å²	58.9	5%	0.048	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	165.8	178.7	68	178.8	176.3	79.1	0	113.8	D21 T57 E58 M59 Y60 S84 F85 T86 T89	D21-K82 WeakPolarHBondContact OD1-CE 3.49Å; D21-K82 IonicContact OD1-NZ 3.47Å; D21-K82 VanDerWaalsContact OD2-CE 3.3Å; D21-K82 WeakPolarHBondContact OD2-CE 3.45Å; D21-K82 IonicContact OD2-NZ 3.87Å; D21-K82 PolarHBondContact OD2-NZ 3.25Å; T57-K82 HydrophobicContact CG2-CD 4.35Å; T57-K82 WeakPolarHBondContact OG1-CE 3.41Å; E58-K82 PolarHBondContact O-N 2.8Å; M59-K82 HydrophobicContact SD-CG 4.47Å; Y60-K82 PolarHBondContact N-O 3.05Å; K82-S84 WeakPolarHBondContact CD-O 3.46Å; K82-S84 PolarHBondContact NZ-O 2.96Å; K82-F85 PolarHBondContact NZ-O 3.44Å; K82-T86 VanDerWaalsContact CD-O 3.23Å; K82-T86 WeakPolarHBondContact CD-O 3.47Å; K82-T89 HydrophobicContact CB-CG2 4.22Å
83	R	97.9	Very high	97.7	Very high	173 Å²	173	58 Å²	58	65%	0.653	32%	0.324	S	S	*	.	S	Bend	trans	-122.1	-12.2	164.8	-66.5	-175.8	-179	-83.4	2.4	113.2	M59 Y60	M59-R83 WeakPolarHBondContact CE-O 3.15Å; Y60-R83 VanDerWaalsContact CD2-CZ 3.5Å
84	S	98.1	Very high	97.6	Very high	60 Å²	60	59.7 Å²	59.7	42%	0.42	33%	0.333	S	S	.	.	S	Bend	trans	-72.3	152.1	170.5	-170.8	0	0	0	0	109.7	K82 T86	K82-S84 WeakPolarHBondContact CD-O 3.46Å; K82-S84 PolarHBondContact NZ-O 2.96Å; S84-T86 WeakPolarHBondContact OG-CG2 3.31Å
85	F	98.6	Very high	97.5	Very high	117 Å²	117	60.1 Å²	60.1	51%	0.513	34%	0.335	S	S	.	.	S	Bend	trans	-70.2	-41	173.8	-66.6	-55	0	0	0	111.2	M59 K82 V114 C115	M59-F85 HydrophobicContact CE-CD1 4.36Å; M59-F85 HydrophobicContact CE-CE1 4.2Å; K82-F85 PolarHBondContact NZ-O 3.44Å; F85-V114 HydrophobicContact CB-CG1 4.2Å; F85-V114 HydrophobicContact CD1-CG1 3.4Å; F85-V114 HydrophobicContact CD2-CG1 4.43Å; F85-V114 HydrophobicContact CE1-CG1 3.78Å; F85-V114 HydrophobicContact CG-CG1 3.77Å; F85-V114 HydrophobicContact CZ-CG1 4.44Å; F85-C115 WeakPolarHBondContact O-CA 3.5Å; F85-C115 WeakPolarHBondContact O-CB 3.41Å; F85-C115 PolarHBondContact O-SG 2.84Å; F85-C115 VanDerWaalsContact O-SG 3.41Å
86	T	98.7	Very high	97.5	Very high	15 Å²	15	54.5 Å²	54.5	9%	0.092	31%	0.305	C	S	.	.	S	Bend	trans	-68.4	142.7	174.6	-173.2	0	0	0	0	112.2	K82 S84 L88 D122	K82-T86 VanDerWaalsContact CD-O 3.23Å; K82-T86 WeakPolarHBondContact CD-O 3.47Å; S84-T86 WeakPolarHBondContact OG-CG2 3.31Å; T86-L88 PolarHBondContact O-N 3.15Å; T86-L88 WeakPolarHBondContact OG1-CB 3.49Å; T86-L88 PolarHBondContact OG1-N 2.91Å; T86-L88 VanDerWaalsContact OG1-N 3.14Å; T86-D122 WeakPolarHBondContact CB-OD2 3.47Å; T86-D122 WeakPolarHBondContact CG2-OD2 3.4Å; T86-D122 PolarHBondContact OG1-OD2 3.25Å
87	M	98.7	Very high	97.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	-68.3	-20.3	167.3	-61.7	178.8	76.3	0	0	111.6	L18 L19 C20 L55 T57 T89 V92 L107 T119	L18-M87 HydrophobicContact CB-CE 3.86Å; L18-M87 HydrophobicContact CB-SD 4.01Å; L18-M87 HydrophobicContact CD1-SD 4.34Å; L19-M87 WeakPolarHBondContact O-CE 3.48Å; C20-M87 HydrophobicContact CB-CE 4.3Å; C20-M87 HydrophobicContact CB-CG 4.22Å; C20-M87 HydrophobicContact CB-SD 3.47Å; C20-M87 WeakPolarHBondContact CB-SD 3.47Å; L55-M87 HydrophobicContact CD2-CE 3.99Å; T57-M87 HydrophobicContact CG2-CB 3.84Å; T57-M87 HydrophobicContact CG2-CE 3.53Å; T57-M87 HydrophobicContact CG2-CG 3.87Å; T57-M87 WeakPolarHBondContact OG1-CE 3.48Å; T57-M87 WeakPolarHBondContact OG1-CG 3.44Å; M87-T89 PolarHBondContact O-N 2.83Å; M87-V92 VanDerWaalsContact O-CB 3.23Å; M87-V92 WeakPolarHBondContact O-CB 3.45Å; M87-V92 WeakPolarHBondContact O-CG1 3.47Å; M87-V92 WeakPolarHBondContact O-CG2 3.4Å; M87-L107 HydrophobicContact SD-CD1 3.89Å; M87-T119 HydrophobicContact CB-CG2 3.74Å; M87-T119 HydrophobicContact CG-CG2 3.92Å; M87-T119 WeakPolarHBondContact CG-OG1 3.37Å; M87-T119 PolarHBondContact N-OG1 3.47Å; M87-T119 HydrophobicContact SD-CG2 4.02Å
88	L	97.8	Very high	97.2	Very high	13 Å²	13	54.2 Å²	54.2	7%	0.068	28%	0.281	C	S	.	.			trans	-80.5	60.8	-168.6	-166.2	57.1	0	0	0	113	T86 A93 L98 D122 L123 R126	T86-L88 PolarHBondContact O-N 3.15Å; T86-L88 WeakPolarHBondContact OG1-CB 3.49Å; T86-L88 PolarHBondContact OG1-N 2.91Å; T86-L88 VanDerWaalsContact OG1-N 3.14Å; L88-A93 HydrophobicContact CD1-CB 3.99Å; L88-L98 HydrophobicContact CD1-CD1 3.54Å; L88-L98 HydrophobicContact CD2-CD1 4.44Å; L88-D122 HydrophobicContact CB-CB 4.45Å; L88-D122 HydrophobicContact CD2-CB 3.8Å; L88-L123 HydrophobicContact CD1-CD2 4.21Å; L88-L123 HydrophobicContact CD2-CD2 4.13Å; L88-R126 HydrophobicContact CD2-CG 4.38Å; L88-R126 VanDerWaalsContact CD2-NE 3.29Å
89	T	96.7	Very high	96.9	Very high	34 Å²	34	58.7 Å²	58.7	21%	0.209	29%	0.291	C	S	.	.			trans	-71.4	166.2	167.6	69.4	0	0	0	0	110.6	K82 M87 E91 V92 A93	K82-T89 HydrophobicContact CB-CG2 4.22Å; M87-T89 PolarHBondContact O-N 2.83Å; T89-E91 PolarHBondContact O-N 3.19Å; T89-V92 PolarHBondContact O-N 2.84Å; T89-V92 WeakPolarHBondContact OG1-CG2 3.33Å; T89-V92 PolarHBondContact OG1-N 3.2Å; T89-A93 WeakPolarHBondContact O-CB 3.24Å; T89-A93 PolarHBondContact O-N 3.43Å
90	D	95.1	Very high	96.8	Very high	127 Å²	127	63.1 Å²	63.1	68%	0.679	31%	0.308	S	S	*	.	H	α-helix	trans	-58.2	-38.2	175.9	-65	-30	0	0	0	112	A93 N94	D90-A93 PolarHBondContact O-N 2.87Å; D90-N94 WeakPolarHBondContact O-CB 3.41Å; D90-N94 PolarHBondContact O-N 2.93Å; D90-N94 PolarHBondContact O-ND2 3.25Å; D90-N94 VanDerWaalsContact O-ND2 3.15Å
91	E	97	Very high	96.6	Very high	109 Å²	109	66.4 Å²	66.4	51%	0.509	32%	0.323	S	S	.	.	H	α-helix	trans	-63.7	-47	175.8	-175.7	172.2	-169.3	0	0	111.9	I80 T89 A93 N94 I95	I80-E91 HydrophobicContact CD1-CG 4.11Å; I80-E91 WeakPolarHBondContact CD1-OE1 3.5Å; I80-E91 HydrophobicContact CG2-CG 4.39Å; T89-E91 PolarHBondContact O-N 3.19Å; E91-A93 PolarHBondContact O-N 3.5Å; E91-N94 PolarHBondContact O-N 2.83Å; E91-I95 HydrophobicContact CG-CD1 3.94Å; E91-I95 VanDerWaalsContact O-CG1 3.32Å; E91-I95 WeakPolarHBondContact O-CG1 3.36Å; E91-I95 PolarHBondContact O-N 3.33Å
92	V	97.8	Very high	96.6	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-42.7	176.9	170.4	0	0	0	0	111.1	L55 T57 I80 M87 T89 N94 I95 L96	L55-V92 HydrophobicContact CD1-CB 4.33Å; L55-V92 HydrophobicContact CD1-CG1 4.06Å; L55-V92 HydrophobicContact CD1-CG2 4Å; L55-V92 HydrophobicContact CD2-CG1 4.05Å; L55-V92 HydrophobicContact CD2-CG2 3.84Å; T57-V92 HydrophobicContact CG2-CG2 4.26Å; I80-V92 HydrophobicContact CB-CG2 4.04Å; I80-V92 HydrophobicContact CG1-CG2 3.96Å; I80-V92 HydrophobicContact CG2-CG2 4.05Å; M87-V92 VanDerWaalsContact O-CB 3.23Å; M87-V92 WeakPolarHBondContact O-CB 3.45Å; M87-V92 WeakPolarHBondContact O-CG1 3.47Å; M87-V92 WeakPolarHBondContact O-CG2 3.4Å; T89-V92 PolarHBondContact O-N 2.84Å; T89-V92 WeakPolarHBondContact OG1-CG2 3.33Å; T89-V92 PolarHBondContact OG1-N 3.2Å; V92-N94 VanDerWaalsContact C-N 3.3Å; V92-N94 PolarHBondContact O-N 3.03Å; V92-I95 PolarHBondContact O-N 2.81Å; V92-L96 HydrophobicContact CG1-CD1 3.63Å; V92-L96 HydrophobicContact CG1-CG 4.23Å; V92-L96 WeakPolarHBondContact O-CB 3.31Å; V92-L96 VanDerWaalsContact O-CG 3.31Å; V92-L96 WeakPolarHBondContact O-CG 3.42Å; V92-L96 PolarHBondContact O-N 2.82Å
93	A	95.1	Very high	96.6	Very high	14 Å²	14	64.2 Å²	64.2	12%	0.116	31%	0.306	C	S	.	.	H	α-helix	trans	-61.1	-39.7	177	0	0	0	0	0	112.1	L88 T89 D90 E91 E97	L88-A93 HydrophobicContact CD1-CB 3.99Å; T89-A93 WeakPolarHBondContact O-CB 3.24Å; T89-A93 PolarHBondContact O-N 3.43Å; D90-A93 PolarHBondContact O-N 2.87Å; E91-A93 PolarHBondContact O-N 3.5Å; A93-E97 PolarHBondContact O-N 2.87Å; A93-E97 VanDerWaalsContact O-N 3.12Å
94	N	95.1	Very high	96.6	Very high	121 Å²	121	56.2 Å²	56.2	65%	0.647	28%	0.277	S	S	*	.	H	α-helix	trans	-67.7	-44.1	176.3	-73	-25.6	0	0	0	112.1	D90 E91 V92 L96 E97	D90-N94 WeakPolarHBondContact O-CB 3.41Å; D90-N94 PolarHBondContact O-N 2.93Å; D90-N94 PolarHBondContact O-ND2 3.25Å; D90-N94 VanDerWaalsContact O-ND2 3.15Å; E91-N94 PolarHBondContact O-N 2.83Å; V92-N94 VanDerWaalsContact C-N 3.3Å; V92-N94 PolarHBondContact O-N 3.03Å; N94-L96 PolarHBondContact O-N 2.83Å; N94-E97 VanDerWaalsContact O-CG 3.32Å; N94-E97 WeakPolarHBondContact O-CG 3.48Å; N94-E97 PolarHBondContact O-N 3.1Å
95	I	96.5	Very high	96.6	Very high	39 Å²	39	53.3 Å²	53.3	20%	0.2	26%	0.257	C	S	.	.	H	α-helix	trans	-65.6	-39.2	179.8	-69	166.5	0	0	0	111.9	R53 L55 P78 I80 E91 V92	R53-I95 PolarHBondContact NH1-O 2.77Å; L55-I95 HydrophobicContact CD1-CB 4.12Å; L55-I95 HydrophobicContact CD1-CD1 4.18Å; L55-I95 HydrophobicContact CD1-CG2 3.85Å; P78-I95 HydrophobicContact CB-CD1 4.13Å; P78-I95 HydrophobicContact CG-CG2 4.22Å; I80-I95 HydrophobicContact CD1-CD1 3.79Å; I80-I95 HydrophobicContact CG1-CD1 4.19Å; E91-I95 HydrophobicContact CG-CD1 3.94Å; E91-I95 VanDerWaalsContact O-CG1 3.32Å; E91-I95 WeakPolarHBondContact O-CG1 3.36Å; E91-I95 PolarHBondContact O-N 3.33Å; V92-I95 PolarHBondContact O-N 2.81Å
96	L	96	Very high	96.6	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-80	-21.1	-177.8	-66.3	176	0	0	0	113.2	A16 L18 R53 L55 V92 N94 L98 I102	A16-L96 HydrophobicContact CB-CD2 4.08Å; L18-L96 HydrophobicContact CD1-CD1 4.22Å; L18-L96 HydrophobicContact CD2-CD1 3.89Å; L18-L96 HydrophobicContact CD2-CD2 3.95Å; R53-L96 HydrophobicContact CG-CD2 4.02Å; L55-L96 HydrophobicContact CB-CD2 4.39Å; L55-L96 HydrophobicContact CD1-CG 4.49Å; V92-L96 HydrophobicContact CG1-CD1 3.63Å; V92-L96 HydrophobicContact CG1-CG 4.23Å; V92-L96 WeakPolarHBondContact O-CB 3.31Å; V92-L96 VanDerWaalsContact O-CG 3.31Å; V92-L96 WeakPolarHBondContact O-CG 3.42Å; V92-L96 PolarHBondContact O-N 2.82Å; N94-L96 PolarHBondContact O-N 2.83Å; L96-L98 VanDerWaalsContact C-N 3.28Å; L96-L98 HydrophobicContact CB-CD2 3.68Å; L96-L98 HydrophobicContact CB-CG 4.04Å; L96-L98 HydrophobicContact CD1-CD2 3.99Å; L96-L98 HydrophobicContact CG-CD2 4.49Å; L96-L98 PolarHBondContact O-N 2.97Å; L96-I102 VanDerWaalsContact O-CG1 3.23Å; L96-I102 WeakPolarHBondContact O-CG1 3.38Å
97	E	95.4	Very high	96.6	Very high	79 Å²	79	47 Å²	47	37%	0.369	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	53.1	-174.5	-63.2	-172.2	-152.3	0	0	112.4	A93 N94 R99 K100 Q101	A93-E97 PolarHBondContact O-N 2.87Å; A93-E97 VanDerWaalsContact O-N 3.12Å; N94-E97 VanDerWaalsContact O-CG 3.32Å; N94-E97 WeakPolarHBondContact O-CG 3.48Å; N94-E97 PolarHBondContact O-N 3.1Å; E97-R99 PolarHBondContact O-N 2.86Å; E97-K100 HydrophobicContact CB-CB 4.3Å; E97-K100 WeakPolarHBondContact O-CB 3.32Å; E97-K100 PolarHBondContact O-N 2.88Å; E97-Q101 HydrophobicContact CB-CB 4.29Å; E97-Q101 HydrophobicContact CB-CG 4.11Å; E97-Q101 PolarHBondContact O-N 3.05Å; E97-Q101 PolarHBondContact OE1-NE2 2.81Å; E97-Q101 PolarHBondContact OE2-NE2 3.29Å
98	L	93.8	Very high	96.6	Very high	24 Å²	24	47 Å²	47	13%	0.126	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-51.4	137.9	-176	-63.3	-177.4	0	0	0	111.8	L88 L96 K100 I102 L123 I128	L88-L98 HydrophobicContact CD1-CD1 3.54Å; L88-L98 HydrophobicContact CD2-CD1 4.44Å; L96-L98 VanDerWaalsContact C-N 3.28Å; L96-L98 HydrophobicContact CB-CD2 3.68Å; L96-L98 HydrophobicContact CB-CG 4.04Å; L96-L98 HydrophobicContact CD1-CD2 3.99Å; L96-L98 HydrophobicContact CG-CD2 4.49Å; L96-L98 PolarHBondContact O-N 2.97Å; L98-K100 PolarHBondContact O-N 3.37Å; L98-I102 HydrophobicContact CD2-CB 4.33Å; L98-I102 HydrophobicContact CD2-CG2 4.22Å; L98-L123 HydrophobicContact CD1-CD2 3.72Å; L98-L123 HydrophobicContact CD2-CD2 4.3Å; L98-I128 HydrophobicContact CB-CD1 3.91Å; L98-I128 HydrophobicContact CB-CG1 4.22Å; L98-I128 HydrophobicContact CD1-CG1 4.2Å; L98-I128 HydrophobicContact CD2-CD1 4Å; L98-I128 HydrophobicContact CD2-CG1 4.06Å; L98-I128 HydrophobicContact CG-CD1 4.42Å; L98-I128 HydrophobicContact CG-CG1 4.4Å
99	R	93.2	Very high	96.7	Very high	139 Å²	139	46.4 Å²	46.4	53%	0.525	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	-16.1	-174.7	-53.6	-64.8	-61.4	160.1	15	115.6	R14 E97 I102 D103 R126 G127 I128	R14-R99 PolarHBondContact NH2-O 3.47Å; E97-R99 PolarHBondContact O-N 2.86Å; R99-I102 PolarHBondContact N-O 2.88Å; R99-D103 IonicContact CZ-OD1 2.94Å; R99-D103 IonicContact NH1-OD1 3.23Å; R99-R126 WeakPolarHBondContact CD-O 3.31Å; R99-G127 PolarHBondContact NH1-O 3.42Å; R99-I128 HydrophobicContact CG-CD1 3.93Å
100	K	95.4	Very high	96.8	Very high	164 Å²	164	44.9 Å²	44.9	71%	0.713	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-51.9	173.5	-61.5	-179.4	-178.3	177.1	0	110.9	R14 E97 L98	R14-K100 PolarHBondContact NH2-O 3.39Å; E97-K100 HydrophobicContact CB-CB 4.3Å; E97-K100 WeakPolarHBondContact O-CB 3.32Å; E97-K100 PolarHBondContact O-N 2.88Å; L98-K100 PolarHBondContact O-N 3.37Å
101	Q	95.5	Very high	97	Very high	79 Å²	79	40.2 Å²	40.2	37%	0.369	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-44.5	177.2	-62.2	-167.3	34.2	0	0	111.6	R14 E97	R14-Q101 PolarHBondContact NE-O 3.48Å; R14-Q101 VanDerWaalsContact NE-O 3.15Å; E97-Q101 HydrophobicContact CB-CB 4.29Å; E97-Q101 HydrophobicContact CB-CG 4.11Å; E97-Q101 PolarHBondContact O-N 3.05Å; E97-Q101 PolarHBondContact OE1-NE2 2.81Å; E97-Q101 PolarHBondContact OE2-NE2 3.29Å
102	I	97.9	Very high	97	Very high	6 Å²	6	35 Å²	35	3%	0.031	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-105.7	125.4	-174.1	-60	-57.4	0	0	0	111.1	R14 A16 R53 L96 L98 R99 S104 V105 I128	R14-I102 WeakPolarHBondContact O-CA 3.49Å; A16-I102 HydrophobicContact CB-CD1 4.03Å; A16-I102 HydrophobicContact CB-CG1 4.18Å; A16-I102 HydrophobicContact CB-CG2 3.92Å; R53-I102 HydrophobicContact CB-CD1 4.11Å; L96-I102 VanDerWaalsContact O-CG1 3.23Å; L96-I102 WeakPolarHBondContact O-CG1 3.38Å; L98-I102 HydrophobicContact CD2-CB 4.33Å; L98-I102 HydrophobicContact CD2-CG2 4.22Å; R99-I102 PolarHBondContact N-O 2.88Å; I102-S104 VanDerWaalsContact CG2-O 3.23Å; I102-S104 WeakPolarHBondContact CG2-O 3.47Å; I102-V105 HydrophobicContact CG2-CG2 4.29Å; I102-I128 VanDerWaalsContact O-CD1 3.28Å; I102-I128 WeakPolarHBondContact O-CD1 3.32Å
103	D	97.5	Very high	97.1	Very high	33 Å²	33	37.4 Å²	37.4	18%	0.176	18%	0.176	C	C	.	.	S	Bend	trans	-109.4	-20.8	174.2	-72.6	-26.8	0	0	0	112.7	R14 R99 Q129	R14-D103 HydrophobicContact CB-CB 4.34Å; R14-D103 WeakPolarHBondContact CD-OD2 3.34Å; R14-D103 IonicContact CZ-OD1 3.71Å; R14-D103 IonicContact CZ-OD2 2.8Å; R14-D103 IonicContact NE-OD2 3.68Å; R14-D103 PolarHBondContact NE-OD2 2.98Å; R14-D103 VanDerWaalsContact NH1-CG 3.34Å; R14-D103 IonicContact NH1-OD1 3.15Å; R14-D103 PolarHBondContact NH1-OD1 2.87Å; R14-D103 IonicContact NH1-OD2 3.17Å; R14-D103 PolarHBondContact NH1-OD2 3.07Å; R14-D103 IonicContact NH2-OD1 2.74Å; R14-D103 IonicContact NH2-OD2 3.77Å; R14-D103 PolarHBondContact O-N 2.75Å; R99-D103 IonicContact CZ-OD1 2.94Å; R99-D103 IonicContact NH1-OD1 3.23Å; D103-Q129 PolarHBondContact O-N 2.71Å
104	S	98.3	Very high	97.3	Very high	5 Å²	5	38.4 Å²	38.4	4%	0.035	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	153.2	-178	45.2	0	0	0	0	113.3	R14 T15 A16 I102 Q129	R14-S104 PolarHBondContact O-N 3.29Å; R14-S104 VanDerWaalsContact O-N 3.16Å; R14-S104 PolarHBondContact O-OG 3.45Å; T15-S104 VanDerWaalsContact CA-O 3.28Å; T15-S104 WeakPolarHBondContact CA-O 3.35Å; T15-S104 PolarHBondContact OG1-OG 3.14Å; A16-S104 PolarHBondContact N-O 3.12Å; I102-S104 VanDerWaalsContact CG2-O 3.23Å; I102-S104 WeakPolarHBondContact CG2-O 3.47Å; S104-Q129 CarbonylContact C-O 3.58Å; S104-Q129 WeakPolarHBondContact CA-O 3.47Å; S104-Q129 WeakPolarHBondContact CB-O 3.4Å
105	V	98.7	Very high	97.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	134.1	-179.6	164.8	0	0	0	0	110	A16 L18 I102 L107 L123 I128 Q129 H131	A16-V105 HydrophobicContact CB-CG2 4.44Å; A16-V105 CarbonylContact O-C 3.52Å; A16-V105 WeakPolarHBondContact O-CA 3.3Å; L18-V105 HydrophobicContact CB-CG1 4.04Å; L18-V105 HydrophobicContact CD1-CG1 3.66Å; L18-V105 HydrophobicContact CD1-CG2 4.17Å; L18-V105 HydrophobicContact CG-CG1 3.57Å; L18-V105 HydrophobicContact CG-CG2 4.34Å; I102-V105 HydrophobicContact CG2-CG2 4.29Å; V105-L107 HydrophobicContact CG1-CB 4.23Å; V105-L123 HydrophobicContact CB-CD1 4.25Å; V105-L123 HydrophobicContact CG1-CD1 4.18Å; V105-L123 HydrophobicContact CG2-CD1 4.16Å; V105-I128 HydrophobicContact CB-CG2 4.44Å; V105-I128 HydrophobicContact CG2-CG2 3.93Å; V105-Q129 PolarHBondContact N-O 3.27Å; V105-H131 PolarHBondContact O-N 3.2Å
106	L	98.9	Very high	97.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	122.9	159.2	-54.3	-174.9	0	0	0	108	L10 T15 A16 L17 L18 M43 M52 H131 I133 A165 I169	L10-L106 HydrophobicContact CD1-CD2 3.79Å; L10-L106 HydrophobicContact CD2-CD2 3.69Å; L10-L106 HydrophobicContact CG-CD2 4.41Å; T15-L106 HydrophobicContact CG2-CD1 4.42Å; T15-L106 HydrophobicContact CG2-CD2 4.27Å; T15-L106 HydrophobicContact CG2-CG 3.81Å; A16-L106 PolarHBondContact O-N 3.29Å; L17-L106 WeakPolarHBondContact CA-O 3.43Å; L17-L106 HydrophobicContact CD1-CB 3.99Å; L18-L106 PolarHBondContact N-O 3.34Å; M43-L106 HydrophobicContact CE-CB 4.34Å; M43-L106 HydrophobicContact CE-CD1 3.47Å; M43-L106 VanDerWaalsContact CE-CD1 3.47Å; M43-L106 HydrophobicContact CE-CG 4.49Å; M52-L106 HydrophobicContact CE-CD1 3.92Å; M52-L106 HydrophobicContact CE-CG 4.38Å; L106-H131 CarbonylContact C-O 3.53Å; L106-H131 WeakPolarHBondContact CA-O 3.37Å; L106-H131 HydrophobicContact CD2-CB 3.61Å; L106-I133 HydrophobicContact CB-CD1 4.34Å; L106-I133 HydrophobicContact CB-CG1 4.45Å; L106-I133 HydrophobicContact CD2-CD1 4.33Å; L106-A165 HydrophobicContact CD1-CB 4.4Å; L106-A165 HydrophobicContact CD2-CB 4.35Å; L106-I169 HydrophobicContact CD1-CD1 4.46Å
107	L	98.9	Very high	97.7	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121	-172.8	-175.1	60.5	0	0	0	110.6	L18 C20 M87 V105 V116 T119 A120 V130 H131 I133	L18-L107 HydrophobicContact CB-CD1 3.81Å; C20-L107 HydrophobicContact CB-CD1 4.47Å; M87-L107 HydrophobicContact SD-CD1 3.89Å; V105-L107 HydrophobicContact CG1-CB 4.23Å; L107-V116 HydrophobicContact CD2-CG1 3.66Å; L107-V116 HydrophobicContact CG-CG1 4.01Å; L107-T119 HydrophobicContact CD1-CG2 4.3Å; L107-T119 HydrophobicContact CD2-CG2 4.41Å; L107-A120 HydrophobicContact CD2-CB 4.06Å; L107-V130 HydrophobicContact CB-CG1 4.29Å; L107-V130 HydrophobicContact CD2-CG1 4.21Å; L107-H131 PolarHBondContact N-O 3.5Å; L107-I133 PolarHBondContact O-N 2.96Å
108	C	98.9	Very high	97.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	161.6	172.3	-48.4	0	0	0	0	109.9	L18 L19 C20 A136	L18-C108 PolarHBondContact O-N 3.43Å; L19-C108 HydrophobicContact CD2-CB 3.94Å; C20-C108 VanDerWaalsContact CB-O 3.29Å; C20-C108 WeakPolarHBondContact CB-O 3.47Å; C20-C108 PolarHBondContact N-O 2.99Å; C108-A136 WeakPolarHBondContact CA-O 3.26Å; C108-A136 HydrophobicContact CB-CB 3.85Å; C108-A136 WeakPolarHBondContact CB-O 3.26Å
109	G	98.8	Very high	98.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	123.5	-155.4	170.9	0	0	0	0	0	115.8	C20 A136 V137 S138	C20-G109 CarbonylContact O-C 3.58Å; C20-G109 WeakPolarHBondContact O-CA 3.43Å; G109-A136 PolarHBondContact N-O 2.85Å; G109-V137 VanDerWaalsContact O-CA 3.26Å; G109-V137 WeakPolarHBondContact O-CA 3.39Å; G109-S138 PolarHBondContact O-N 2.93Å
110	I	98.8	Very high	98.4	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	157.3	-167.4	58.1	172	0	0	0	112.3	C20 D21 F26 I30 F33	C20-I110 PolarHBondContact O-N 2.98Å; D21-I110 WeakPolarHBondContact O-CD1 3.49Å; D21-I110 VanDerWaalsContact O-CG1 3.27Å; D21-I110 WeakPolarHBondContact O-CG1 3.2Å; F26-I110 HydrophobicContact CB-CD1 3.35Å; F26-I110 HydrophobicContact CD1-CD1 4.17Å; F26-I110 HydrophobicContact CD2-CD1 3.57Å; F26-I110 HydrophobicContact CE2-CD1 4.35Å; F26-I110 HydrophobicContact CG-CD1 3.45Å; F26-I110 VanDerWaalsContact CG-CD1 3.45Å; I30-I110 HydrophobicContact CD1-CB 4.12Å; I30-I110 HydrophobicContact CD1-CD1 4.12Å; I30-I110 HydrophobicContact CD1-CG2 4.13Å; I30-I110 HydrophobicContact CG1-CD1 3.81Å; I30-I110 HydrophobicContact CG1-CG2 4.26Å; I30-I110 HydrophobicContact CG2-CG2 4.02Å; F33-I110 HydrophobicContact CE2-CD1 4.19Å
111	E	98.7	Very high	98.5	Very high	29 Å²	29	17.2 Å²	17.2	14%	0.136	9%	0.09	C	C	.	.			cis	-82.7	145.9	-18.6	-63.5	-162.7	-121.5	0	0	110.5	I30 H113 V114 C115 V116 S138 R140	I30-E111 HydrophobicContact CD1-CG 3.68Å; E111-H113 VanDerWaalsContact C-N 3.31Å; E111-H113 PolarHBondContact O-N 3.28Å; E111-H113 IonicContact OE2-CE1 3Å; E111-H113 PolarHBondContact OE2-CE1 2.97Å; E111-H113 VanDerWaalsContact OE2-CE1 3.31Å; E111-V114 HydrophobicContact CB-CB 4.33Å; E111-V114 HydrophobicContact CB-CG2 4.29Å; E111-V114 CarbonylContact O-C 3.56Å; E111-V114 PolarHBondContact O-N 3.49Å; E111-V114 VanDerWaalsContact O-N 3.11Å; E111-C115 PolarHBondContact O-N 2.94Å; E111-V116 PolarHBondContact O-N 3.38Å; E111-V116 VanDerWaalsContact O-N 3.14Å; E111-S138 CarbonylContact C-O 3.49Å; E111-S138 VanDerWaalsContact CA-O 3.31Å; E111-S138 WeakPolarHBondContact CA-O 3.47Å; E111-R140 VanDerWaalsContact OE2-CG 3.3Å; E111-R140 WeakPolarHBondContact OE2-CG 3.28Å; E111-R140 PolarHBondContact OE2-N 2.99Å
112	T	98.8	Very high	98.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.085	C	C	.	.	I	π-helix	trans	-48.1	-51.3	-178.4	-44.9	0	0	0	0	112.8	V114 Q117 V137 S138 S139 R145 F149 M152	T112-V114 VanDerWaalsContact C-N 3.33Å; T112-Q117 WeakPolarHBondContact O-CB 3.4Å; T112-Q117 PolarHBondContact O-N 3.25Å; T112-V137 HydrophobicContact CG2-CG1 3.65Å; T112-V137 VanDerWaalsContact OG1-CG1 3.25Å; T112-V137 WeakPolarHBondContact OG1-CG1 3.47Å; T112-S138 PolarHBondContact N-O 3.04Å; T112-S138 VanDerWaalsContact OG1-CA 3.28Å; T112-S138 WeakPolarHBondContact OG1-CA 3.43Å; T112-S138 PolarHBondContact OG1-N 3.44Å; T112-S138 PolarHBondContact OG1-O 3.1Å; T112-S139 WeakPolarHBondContact CB-OG 3.3Å; T112-S139 PolarHBondContact N-OG 3.49Å; T112-S139 VanDerWaalsContact N-OG 3.09Å; T112-S139 PolarHBondContact OG1-OG 3.45Å; T112-S139 VanDerWaalsContact OG1-OG 3.05Å; T112-R145 HydrophobicContact CG2-CG 4.4Å; T112-R145 WeakPolarHBondContact CG2-O 3.31Å; T112-F149 HydrophobicContact CG2-CD1 3.61Å; T112-F149 HydrophobicContact CG2-CE1 3.52Å; T112-F149 HydrophobicContact CG2-CG 4.19Å; T112-F149 HydrophobicContact CG2-CZ 4.05Å; T112-M152 HydrophobicContact CG2-CE 3.76Å
113	H	98.5	Very high	98.7	Very high	52 Å²	52	15.4 Å²	15.4	24%	0.241	8%	0.083	C	C	.	.	I	π-helix	trans	-85.2	-5.2	-172.9	64.7	-70.8	0	0	0	114	E111 Q117 S139 D144	E111-H113 VanDerWaalsContact C-N 3.31Å; E111-H113 PolarHBondContact O-N 3.28Å; E111-H113 IonicContact OE2-CE1 3Å; E111-H113 PolarHBondContact OE2-CE1 2.97Å; E111-H113 VanDerWaalsContact OE2-CE1 3.31Å; H113-Q117 PolarHBondContact O-NE2 3.26Å; H113-S139 PolarHBondContact ND1-OG 3.41Å; H113-D144 HydrophobicContact CB-CB 4.35Å; H113-D144 IonicContact CE1-OD2 3.31Å; H113-D144 WeakPolarHBondContact ND1-CB 3.17Å; H113-D144 IonicContact NE2-OD2 3.95Å
114	V	98.7	Very high	98.7	Very high	35 Å²	35	16.2 Å²	16.2	21%	0.212	9%	0.087	C	C	.	.	I	π-helix	trans	-116.8	-99.8	-178.4	-169.5	0	0	0	0	109.1	F85 E111 T112 V116 Q117 S118	F85-V114 HydrophobicContact CB-CG1 4.2Å; F85-V114 HydrophobicContact CD1-CG1 3.4Å; F85-V114 HydrophobicContact CD2-CG1 4.43Å; F85-V114 HydrophobicContact CE1-CG1 3.78Å; F85-V114 HydrophobicContact CG-CG1 3.77Å; F85-V114 HydrophobicContact CZ-CG1 4.44Å; E111-V114 HydrophobicContact CB-CB 4.33Å; E111-V114 HydrophobicContact CB-CG2 4.29Å; E111-V114 CarbonylContact O-C 3.56Å; E111-V114 PolarHBondContact O-N 3.49Å; E111-V114 VanDerWaalsContact O-N 3.11Å; T112-V114 VanDerWaalsContact C-N 3.33Å; V114-V116 PolarHBondContact O-N 3.23Å; V114-Q117 PolarHBondContact O-N 2.94Å; V114-S118 WeakPolarHBondContact O-CB 3.26Å; V114-S118 PolarHBondContact O-N 3.2Å; V114-S118 PolarHBondContact O-OG 3.28Å
115	C	98.9	Very high	98.7	Very high	10 Å²	10	23.8 Å²	23.8	7%	0.068	12%	0.122	C	C	.	.	I	π-helix	trans	-62.3	-41.1	-171.2	-60.8	0	0	0	0	112.6	C20 D21 F85 E111 T119	C20-C115 VanDerWaalsContact SG-CB 3.55Å; D21-C115 WeakPolarHBondContact OD2-CB 3.43Å; D21-C115 PolarHBondContact OD2-SG 3.25Å; F85-C115 WeakPolarHBondContact O-CA 3.5Å; F85-C115 WeakPolarHBondContact O-CB 3.41Å; F85-C115 PolarHBondContact O-SG 2.84Å; F85-C115 VanDerWaalsContact O-SG 3.41Å; E111-C115 PolarHBondContact O-N 2.94Å; C115-T119 VanDerWaalsContact O-CB 3.26Å; C115-T119 WeakPolarHBondContact O-CB 3.23Å; C115-T119 PolarHBondContact O-N 3.05Å; C115-T119 PolarHBondContact O-OG1 2.93Å
116	V	98.9	Very high	98.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.	I	π-helix	trans	-66.1	-49.8	179.1	174.3	0	0	0	0	110.5	C20 L107 E111 V114 T119 A120 V137 M152	C20-V116 HydrophobicContact CB-CG2 4.1Å; L107-V116 HydrophobicContact CD2-CG1 3.66Å; L107-V116 HydrophobicContact CG-CG1 4.01Å; E111-V116 PolarHBondContact O-N 3.38Å; E111-V116 VanDerWaalsContact O-N 3.14Å; V114-V116 PolarHBondContact O-N 3.23Å; V116-T119 PolarHBondContact O-N 3.41Å; V116-A120 WeakPolarHBondContact O-CB 3.35Å; V116-A120 PolarHBondContact O-N 3.12Å; V116-V137 HydrophobicContact CB-CG1 4.39Å; V116-V137 HydrophobicContact CG1-CG1 3.9Å; V116-V137 HydrophobicContact CG1-CG2 4.21Å; V116-V137 HydrophobicContact CG2-CG1 4.23Å; V116-M152 HydrophobicContact CG1-CE 4.17Å; V116-M152 HydrophobicContact CG1-SD 4.04Å
117	Q	98.8	Very high	98.4	Very high	37 Å²	37	31.6 Å²	31.6	17%	0.173	16%	0.163	C	C	.	.	H	α-helix	trans	-60.4	-51.4	177.4	178.9	-178.6	-79.6	0	0	112	T112 H113 V114 T119 A120 L121 R151 M152	T112-Q117 WeakPolarHBondContact O-CB 3.4Å; T112-Q117 PolarHBondContact O-N 3.25Å; H113-Q117 PolarHBondContact O-NE2 3.26Å; V114-Q117 PolarHBondContact O-N 2.94Å; Q117-T119 VanDerWaalsContact C-N 3.26Å; Q117-T119 PolarHBondContact O-N 2.96Å; Q117-A120 PolarHBondContact O-N 3.01Å; Q117-A120 VanDerWaalsContact O-N 3.1Å; Q117-L121 HydrophobicContact CG-CD1 3.98Å; Q117-L121 HydrophobicContact CG-CG 4.27Å; Q117-L121 VanDerWaalsContact O-CG 3.31Å; Q117-L121 WeakPolarHBondContact O-CG 3.2Å; Q117-L121 PolarHBondContact O-N 3.35Å; Q117-R151 HydrophobicContact CG-CG 4.41Å; Q117-M152 HydrophobicContact CB-CG 4.13Å; Q117-M152 HydrophobicContact CB-SD 4.36Å; Q117-M152 HydrophobicContact CG-CG 4.01Å
118	S	98.8	Very high	98.4	Very high	35 Å²	35	31.7 Å²	31.7	25%	0.245	16%	0.164	C	C	.	.	H	α-helix	trans	-56.2	-43.8	178.7	-67.9	0	0	0	0	111.4	V114 A120 L121 D122	V114-S118 WeakPolarHBondContact O-CB 3.26Å; V114-S118 PolarHBondContact O-N 3.2Å; V114-S118 PolarHBondContact O-OG 3.28Å; S118-A120 PolarHBondContact O-N 3.28Å; S118-L121 PolarHBondContact O-N 2.87Å; S118-D122 VanDerWaalsContact O-CG 3.22Å; S118-D122 PolarHBondContact O-N 3.47Å
119	T	98.9	Very high	98.3	Very high	1 Å²	1	34 Å²	34	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-60.6	-46.4	175.6	-57.4	0	0	0	0	111.9	M87 L107 C115 V116 Q117 L121 D122 L123	M87-T119 HydrophobicContact CB-CG2 3.74Å; M87-T119 HydrophobicContact CG-CG2 3.92Å; M87-T119 WeakPolarHBondContact CG-OG1 3.37Å; M87-T119 PolarHBondContact N-OG1 3.47Å; M87-T119 HydrophobicContact SD-CG2 4.02Å; L107-T119 HydrophobicContact CD1-CG2 4.3Å; L107-T119 HydrophobicContact CD2-CG2 4.41Å; C115-T119 VanDerWaalsContact O-CB 3.26Å; C115-T119 WeakPolarHBondContact O-CB 3.23Å; C115-T119 PolarHBondContact O-N 3.05Å; C115-T119 PolarHBondContact O-OG1 2.93Å; V116-T119 PolarHBondContact O-N 3.41Å; Q117-T119 VanDerWaalsContact C-N 3.26Å; Q117-T119 PolarHBondContact O-N 2.96Å; T119-L121 PolarHBondContact O-N 3.38Å; T119-D122 PolarHBondContact O-N 3.08Å; T119-L123 HydrophobicContact CG2-CD1 3.85Å; T119-L123 HydrophobicContact CG2-CG 4.35Å; T119-L123 WeakPolarHBondContact O-CB 3.47Å; T119-L123 VanDerWaalsContact O-CG 3.23Å; T119-L123 WeakPolarHBondContact O-CG 3.4Å; T119-L123 PolarHBondContact O-N 3.08Å
120	A	98.9	Very high	98.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63	-42.7	-179.1	0	0	0	0	0	112	L107 V116 Q117 S118 L123 I124 V130 M152 V157	L107-A120 HydrophobicContact CD2-CB 4.06Å; V116-A120 WeakPolarHBondContact O-CB 3.35Å; V116-A120 PolarHBondContact O-N 3.12Å; Q117-A120 PolarHBondContact O-N 3.01Å; Q117-A120 VanDerWaalsContact O-N 3.1Å; S118-A120 PolarHBondContact O-N 3.28Å; A120-L123 PolarHBondContact O-N 2.71Å; A120-I124 WeakPolarHBondContact O-CB 3.4Å; A120-I124 WeakPolarHBondContact O-CG1 3.41Å; A120-I124 PolarHBondContact O-N 2.82Å; A120-V130 HydrophobicContact CB-CG1 3.99Å; A120-M152 HydrophobicContact CB-CG 4.15Å; A120-M152 HydrophobicContact CB-SD 3.69Å; A120-V157 HydrophobicContact CB-CG2 3.84Å
121	L	98.7	Very high	98.3	Very high	38 Å²	38	34.4 Å²	34.4	20%	0.199	18%	0.176	C	C	.	.	H	α-helix	trans	-63.4	-49.1	177.8	-64.6	178.9	0	0	0	111.5	Q117 S118 T119 L123 I124 E125 S155	Q117-L121 HydrophobicContact CG-CD1 3.98Å; Q117-L121 HydrophobicContact CG-CG 4.27Å; Q117-L121 VanDerWaalsContact O-CG 3.31Å; Q117-L121 WeakPolarHBondContact O-CG 3.2Å; Q117-L121 PolarHBondContact O-N 3.35Å; S118-L121 PolarHBondContact O-N 2.87Å; T119-L121 PolarHBondContact O-N 3.38Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L121-L123 PolarHBondContact O-N 3.01Å; L121-I124 PolarHBondContact O-N 2.79Å; L121-E125 PolarHBondContact O-N 3.49Å; L121-S155 WeakPolarHBondContact CD2-OG 3.43Å
122	D	98.6	Very high	98.3	Very high	48 Å²	48	33 Å²	33	26%	0.257	17%	0.17	S	C	.	.	H	α-helix	trans	-63.9	-36.5	-179.7	-64.1	-12.7	0	0	0	112.2	T86 L88 S118 T119 E125 R126	T86-D122 WeakPolarHBondContact CB-OD2 3.47Å; T86-D122 WeakPolarHBondContact CG2-OD2 3.4Å; T86-D122 PolarHBondContact OG1-OD2 3.25Å; L88-D122 HydrophobicContact CB-CB 4.45Å; L88-D122 HydrophobicContact CD2-CB 3.8Å; S118-D122 VanDerWaalsContact O-CG 3.22Å; S118-D122 PolarHBondContact O-N 3.47Å; T119-D122 PolarHBondContact O-N 3.08Å; D122-E125 PolarHBondContact O-N 3.1Å; D122-R126 WeakPolarHBondContact O-CG 3.29Å; D122-R126 PolarHBondContact O-N 3.49Å
123	L	98.5	Very high	98.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.2	-43.4	174.8	-75.9	173.9	0	0	0	111.5	L18 L88 L98 V105 T119 A120 L121 E125 R126 G127 I128 V130	L18-L123 HydrophobicContact CD1-CD1 4.12Å; L88-L123 HydrophobicContact CD1-CD2 4.21Å; L88-L123 HydrophobicContact CD2-CD2 4.13Å; L98-L123 HydrophobicContact CD1-CD2 3.72Å; L98-L123 HydrophobicContact CD2-CD2 4.3Å; V105-L123 HydrophobicContact CB-CD1 4.25Å; V105-L123 HydrophobicContact CG1-CD1 4.18Å; V105-L123 HydrophobicContact CG2-CD1 4.16Å; T119-L123 HydrophobicContact CG2-CD1 3.85Å; T119-L123 HydrophobicContact CG2-CG 4.35Å; T119-L123 WeakPolarHBondContact O-CB 3.47Å; T119-L123 VanDerWaalsContact O-CG 3.23Å; T119-L123 WeakPolarHBondContact O-CG 3.4Å; T119-L123 PolarHBondContact O-N 3.08Å; A120-L123 PolarHBondContact O-N 2.71Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L121-L123 PolarHBondContact O-N 3.01Å; L123-E125 VanDerWaalsContact C-N 3.34Å; L123-E125 PolarHBondContact O-N 2.92Å; L123-R126 CarbonylContact O-C 3.57Å; L123-R126 WeakPolarHBondContact O-CA 3.31Å; L123-R126 PolarHBondContact O-N 3.03Å; L123-R126 VanDerWaalsContact O-N 3.11Å; L123-G127 PolarHBondContact O-N 3.5Å; L123-I128 HydrophobicContact CB-CB 4.12Å; L123-I128 HydrophobicContact CB-CG2 4.4Å; L123-I128 HydrophobicContact CD2-CB 4.3Å; L123-I128 HydrophobicContact CD2-CG1 4.31Å; L123-I128 HydrophobicContact CD2-CG2 4.28Å; L123-I128 WeakPolarHBondContact O-CB 3.41Å; L123-I128 PolarHBondContact O-N 2.88Å; L123-V130 HydrophobicContact CB-CG2 3.55Å; L123-V130 HydrophobicContact CD1-CG2 3.97Å; L123-V130 HydrophobicContact CG-CG2 4.44Å
124	I	98	Very high	98.3	Very high	50 Å²	50	31.6 Å²	31.6	26%	0.256	17%	0.165	S	C	.	.	H	α-helix	trans	-62.3	-41.9	176.7	-71.2	-75.5	0	0	0	110.9	A120 L121 R126 G127 I128 V130 V157	A120-I124 WeakPolarHBondContact O-CB 3.4Å; A120-I124 WeakPolarHBondContact O-CG1 3.41Å; A120-I124 PolarHBondContact O-N 2.82Å; L121-I124 PolarHBondContact O-N 2.79Å; I124-R126 PolarHBondContact O-N 3.17Å; I124-G127 WeakPolarHBondContact O-CA 3.23Å; I124-G127 PolarHBondContact O-N 3.37Å; I124-I128 WeakPolarHBondContact CD1-O 3.42Å; I124-V130 HydrophobicContact CD1-CB 4.42Å; I124-V130 HydrophobicContact CD1-CG2 4.19Å; I124-V130 HydrophobicContact CG1-CB 4.49Å; I124-V130 HydrophobicContact CG1-CG2 4Å; I124-V157 HydrophobicContact CG1-CG2 4.19Å
125	E	97.3	Very high	98.3	Very high	163 Å²	163	30.5 Å²	30.5	76%	0.762	16%	0.158	S	C	*	.	H	α-helix	trans	-59.7	-31.5	174.7	-73.4	-173.1	160	0	0	112.4	L121 D122 L123 G127	L121-E125 PolarHBondContact O-N 3.49Å; D122-E125 PolarHBondContact O-N 3.1Å; L123-E125 VanDerWaalsContact C-N 3.34Å; L123-E125 PolarHBondContact O-N 2.92Å; E125-G127 VanDerWaalsContact C-N 3.25Å; E125-G127 PolarHBondContact O-N 3.01Å
126	R	96.3	Very high	98.3	Very high	126 Å²	126	30 Å²	30	48%	0.475	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	7.7	172.9	-63.2	-165.6	-167.9	-145.9	1.2	114.4	L88 R99 D122 L123 I124 I128	L88-R126 HydrophobicContact CD2-CG 4.38Å; L88-R126 VanDerWaalsContact CD2-NE 3.29Å; R99-R126 WeakPolarHBondContact CD-O 3.31Å; D122-R126 WeakPolarHBondContact O-CG 3.29Å; D122-R126 PolarHBondContact O-N 3.49Å; L123-R126 CarbonylContact O-C 3.57Å; L123-R126 WeakPolarHBondContact O-CA 3.31Å; L123-R126 PolarHBondContact O-N 3.03Å; L123-R126 VanDerWaalsContact O-N 3.11Å; I124-R126 PolarHBondContact O-N 3.17Å; R126-I128 VanDerWaalsContact C-N 3.33Å; R126-I128 HydrophobicContact CB-CG1 4.45Å; R126-I128 PolarHBondContact O-N 3.3Å
127	G	95.7	Very high	98.3	Very high	38 Å²	38	30 Å²	30	39%	0.392	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	25.1	179.3	0	0	0	0	0	113.9	R99 L123 I124 E125	R99-G127 PolarHBondContact NH1-O 3.42Å; L123-G127 PolarHBondContact O-N 3.5Å; I124-G127 WeakPolarHBondContact O-CA 3.23Å; I124-G127 PolarHBondContact O-N 3.37Å; E125-G127 VanDerWaalsContact C-N 3.25Å; E125-G127 PolarHBondContact O-N 3.01Å
128	I	98	Very high	98.3	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	15%	0.146	C	C	.	.			trans	-92.6	131.2	174.2	-57.8	-63.9	0	0	0	109.2	L98 R99 I102 V105 L123 I124 R126 V130	L98-I128 HydrophobicContact CB-CD1 3.91Å; L98-I128 HydrophobicContact CB-CG1 4.22Å; L98-I128 HydrophobicContact CD1-CG1 4.2Å; L98-I128 HydrophobicContact CD2-CD1 4Å; L98-I128 HydrophobicContact CD2-CG1 4.06Å; L98-I128 HydrophobicContact CG-CD1 4.42Å; L98-I128 HydrophobicContact CG-CG1 4.4Å; R99-I128 HydrophobicContact CG-CD1 3.93Å; I102-I128 VanDerWaalsContact O-CD1 3.28Å; I102-I128 WeakPolarHBondContact O-CD1 3.32Å; V105-I128 HydrophobicContact CB-CG2 4.44Å; V105-I128 HydrophobicContact CG2-CG2 3.93Å; L123-I128 HydrophobicContact CB-CB 4.12Å; L123-I128 HydrophobicContact CB-CG2 4.4Å; L123-I128 HydrophobicContact CD2-CB 4.3Å; L123-I128 HydrophobicContact CD2-CG1 4.31Å; L123-I128 HydrophobicContact CD2-CG2 4.28Å; L123-I128 WeakPolarHBondContact O-CB 3.41Å; L123-I128 PolarHBondContact O-N 2.88Å; I124-I128 WeakPolarHBondContact CD1-O 3.42Å; R126-I128 VanDerWaalsContact C-N 3.33Å; R126-I128 HydrophobicContact CB-CG1 4.45Å; R126-I128 PolarHBondContact O-N 3.3Å; I128-V130 PolarHBondContact O-N 3.11Å
129	Q	98.1	Very high	98.3	Very high	48 Å²	48	26.6 Å²	26.6	22%	0.224	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	119.8	175.9	178.8	-176.3	-86.6	0	0	109.8	G8 K9 D103 S104 V105 H131 Y158	G8-Q129 VanDerWaalsContact CA-OE1 3.25Å; K9-Q129 PolarHBondContact O-NE2 3.12Å; D103-Q129 PolarHBondContact O-N 2.71Å; S104-Q129 CarbonylContact C-O 3.58Å; S104-Q129 WeakPolarHBondContact CA-O 3.47Å; S104-Q129 WeakPolarHBondContact CB-O 3.4Å; V105-Q129 PolarHBondContact N-O 3.27Å; Q129-H131 PolarHBondContact NE2-NE2 3.47Å; Q129-Y158 HydrophobicContact CG-CD2 3.94Å; Q129-Y158 HydrophobicContact CG-CE2 3.8Å
130	V	98.7	Very high	98.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132.1	-178.2	-173.9	0	0	0	0	110.7	L107 A120 L123 I124 I128 V157 Y158	L107-V130 HydrophobicContact CB-CG1 4.29Å; L107-V130 HydrophobicContact CD2-CG1 4.21Å; A120-V130 HydrophobicContact CB-CG1 3.99Å; L123-V130 HydrophobicContact CB-CG2 3.55Å; L123-V130 HydrophobicContact CD1-CG2 3.97Å; L123-V130 HydrophobicContact CG-CG2 4.44Å; I124-V130 HydrophobicContact CD1-CB 4.42Å; I124-V130 HydrophobicContact CD1-CG2 4.19Å; I124-V130 HydrophobicContact CG1-CB 4.49Å; I124-V130 HydrophobicContact CG1-CG2 4Å; I128-V130 PolarHBondContact O-N 3.11Å; V130-V157 HydrophobicContact CB-CG1 4.15Å; V130-V157 HydrophobicContact CB-CG2 4.26Å; V130-V157 HydrophobicContact CG1-CG1 3.93Å; V130-V157 HydrophobicContact CG1-CG2 4.5Å; V130-Y158 PolarHBondContact O-N 2.86Å
131	H	98.8	Very high	98.1	Very high	11 Å²	11	36.8 Å²	36.8	5%	0.051	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	114.6	170.3	-73.7	-103.1	0	0	0	108.8	G8 L10 V105 L106 L107 Q129 Y158 T160	G8-H131 PolarHBondContact O-CE1 2.89Å; G8-H131 PolarHBondContact O-NE2 3.05Å; L10-H131 VanDerWaalsContact CD2-CD2 3.42Å; L10-H131 WeakPolarHBondContact CD2-CD2 3.45Å; V105-H131 PolarHBondContact O-N 3.2Å; L106-H131 CarbonylContact C-O 3.53Å; L106-H131 WeakPolarHBondContact CA-O 3.37Å; L106-H131 HydrophobicContact CD2-CB 3.61Å; L107-H131 PolarHBondContact N-O 3.5Å; Q129-H131 PolarHBondContact NE2-NE2 3.47Å; H131-Y158 CarbonylContact C-O 3.49Å; H131-Y158 VanDerWaalsContact CA-O 3.25Å; H131-Y158 WeakPolarHBondContact CA-O 3.45Å; H131-Y158 AromaticContact CE1-CG 3.93Å; H131-Y158 AromaticContact NE2-CD2 3.9Å; H131-T160 HydrophobicContact CB-CG2 4.1Å
132	C	98.9	Very high	98	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.8	176.4	-175.8	0	0	0	0	109.3	V134 M152 V157 Y158 L159 T160	C132-V134 PolarHBondContact O-N 3.21Å; C132-M152 HydrophobicContact CB-CE 4.43Å; C132-V157 HydrophobicContact CB-CG1 3.82Å; C132-Y158 PolarHBondContact N-O 3.32Å; C132-L159 HydrophobicContact CB-CD2 3.91Å; C132-T160 PolarHBondContact O-N 3.42Å
133	I	98.9	Very high	97.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	94.3	178.5	-50.7	-53	0	0	0	108	M43 L106 L107 D135 A136 V137 T160 C162 A165	M43-I133 HydrophobicContact CE-CD1 4.16Å; M43-I133 HydrophobicContact CE-CG1 4.17Å; M43-I133 HydrophobicContact CG-CG2 4.36Å; M43-I133 HydrophobicContact SD-CG2 4.47Å; L106-I133 HydrophobicContact CB-CD1 4.34Å; L106-I133 HydrophobicContact CB-CG1 4.45Å; L106-I133 HydrophobicContact CD2-CD1 4.33Å; L107-I133 PolarHBondContact O-N 2.96Å; I133-D135 VanDerWaalsContact C-N 3.27Å; I133-D135 VanDerWaalsContact CG2-OD1 3.31Å; I133-D135 WeakPolarHBondContact CG2-OD1 3.46Å; I133-D135 PolarHBondContact O-N 3.29Å; I133-A136 HydrophobicContact CB-CB 3.94Å; I133-A136 HydrophobicContact CG2-CB 3.57Å; I133-A136 CarbonylContact O-C 3.48Å; I133-A136 VanDerWaalsContact O-C 3.31Å; I133-A136 WeakPolarHBondContact O-CA 3.21Å; I133-A136 PolarHBondContact O-N 3.07Å; I133-V137 WeakPolarHBondContact O-CG2 3.32Å; I133-V137 PolarHBondContact O-N 3.02Å; I133-V137 VanDerWaalsContact O-N 3.1Å; I133-T160 CarbonylContact C-O 3.49Å; I133-T160 WeakPolarHBondContact CA-O 3.32Å; I133-T160 HydrophobicContact CD1-CG2 3.59Å; I133-C162 HydrophobicContact CG2-CB 4.06Å; I133-A165 HydrophobicContact CD1-CB 3.68Å
134	V	98.6	Very high	97.9	Very high	21 Å²	21	42.4 Å²	42.4	13%	0.127	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	-30.9	-166.4	-60.4	0	0	0	0	113.4	C132 A136 R145 F149 L159 T160 T161 L194	C132-V134 PolarHBondContact O-N 3.21Å; V134-A136 VanDerWaalsContact C-N 3.25Å; V134-A136 PolarHBondContact O-N 3.12Å; V134-R145 PolarHBondContact O-NH2 2.95Å; V134-F149 HydrophobicContact CB-CE1 4.18Å; V134-F149 HydrophobicContact CB-CE2 4.2Å; V134-F149 HydrophobicContact CB-CZ 3.85Å; V134-F149 HydrophobicContact CG1-CD1 4.16Å; V134-F149 HydrophobicContact CG1-CE1 3.93Å; V134-F149 HydrophobicContact CG1-CE2 4.42Å; V134-F149 HydrophobicContact CG1-CZ 4.07Å; V134-L159 HydrophobicContact CG1-CB 3.83Å; V134-L159 HydrophobicContact CG1-CD2 4.17Å; V134-L159 HydrophobicContact CG1-CG 4.42Å; V134-T160 WeakPolarHBondContact CG2-O 3.23Å; V134-T160 PolarHBondContact N-O 3.49Å; V134-T161 HydrophobicContact CG2-CG2 4.16Å; V134-L194 HydrophobicContact CB-CD1 4.18Å; V134-L194 HydrophobicContact CG2-CD1 3.85Å
135	D	98.2	Very high	97.9	Very high	13 Å²	13	40 Å²	40	7%	0.07	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-0.6	174	59	-30.4	0	0	0	113.3	T39 I133 T161 C162 S189 L194	T39-D135 VanDerWaalsContact CB-O 3.31Å; T39-D135 WeakPolarHBondContact CB-O 3.46Å; T39-D135 HydrophobicContact CG2-CB 4.31Å; T39-D135 PolarHBondContact OG1-O 2.87Å; I133-D135 VanDerWaalsContact C-N 3.27Å; I133-D135 VanDerWaalsContact CG2-OD1 3.31Å; I133-D135 WeakPolarHBondContact CG2-OD1 3.46Å; I133-D135 PolarHBondContact O-N 3.29Å; D135-T161 VanDerWaalsContact OD1-CA 3.27Å; D135-T161 WeakPolarHBondContact OD1-CA 3.15Å; D135-C162 PolarHBondContact OD1-N 3.37Å; D135-C162 WeakPolarHBondContact OD2-CB 3.44Å; D135-C162 PolarHBondContact OD2-N 3.3Å; D135-S189 WeakPolarHBondContact OD2-CB 3.29Å; D135-S189 PolarHBondContact OD2-OG 3.42Å; D135-L194 HydrophobicContact CB-CD1 4.45Å
136	A	98.8	Very high	97.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	18.2	172.6	0	0	0	0	0	112.7	T39 C108 G109 I133 V134	T39-A136 HydrophobicContact CG2-CB 3.88Å; C108-A136 WeakPolarHBondContact CA-O 3.26Å; C108-A136 HydrophobicContact CB-CB 3.85Å; C108-A136 WeakPolarHBondContact CB-O 3.26Å; G109-A136 PolarHBondContact N-O 2.85Å; I133-A136 HydrophobicContact CB-CB 3.94Å; I133-A136 HydrophobicContact CG2-CB 3.57Å; I133-A136 CarbonylContact O-C 3.48Å; I133-A136 VanDerWaalsContact O-C 3.31Å; I133-A136 WeakPolarHBondContact O-CA 3.21Å; I133-A136 PolarHBondContact O-N 3.07Å; V134-A136 VanDerWaalsContact C-N 3.25Å; V134-A136 PolarHBondContact O-N 3.12Å
137	V	98.8	Very high	98	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.4	176.6	168	0	0	0	0	110.5	G109 T112 V116 I133 R145 F149	G109-V137 VanDerWaalsContact O-CA 3.26Å; G109-V137 WeakPolarHBondContact O-CA 3.39Å; T112-V137 HydrophobicContact CG2-CG1 3.65Å; T112-V137 VanDerWaalsContact OG1-CG1 3.25Å; T112-V137 WeakPolarHBondContact OG1-CG1 3.47Å; V116-V137 HydrophobicContact CB-CG1 4.39Å; V116-V137 HydrophobicContact CG1-CG1 3.9Å; V116-V137 HydrophobicContact CG1-CG2 4.21Å; V116-V137 HydrophobicContact CG2-CG1 4.23Å; I133-V137 WeakPolarHBondContact O-CG2 3.32Å; I133-V137 PolarHBondContact O-N 3.02Å; I133-V137 VanDerWaalsContact O-N 3.1Å; V137-R145 PolarHBondContact O-NE 3.15Å; V137-R145 PolarHBondContact O-NH2 2.77Å; V137-F149 HydrophobicContact CB-CE1 4.05Å; V137-F149 HydrophobicContact CB-CZ 4.24Å; V137-F149 HydrophobicContact CG1-CE1 3.73Å; V137-F149 HydrophobicContact CG1-CZ 4.11Å
138	S	98.7	Very high	98.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	173	-179.6	-164.7	0	0	0	0	114.1	S31 G109 E111 T112	S31-S138 PolarHBondContact O-OG 3.08Å; G109-S138 PolarHBondContact O-N 2.93Å; E111-S138 CarbonylContact C-O 3.49Å; E111-S138 VanDerWaalsContact CA-O 3.31Å; E111-S138 WeakPolarHBondContact CA-O 3.47Å; T112-S138 PolarHBondContact N-O 3.04Å; T112-S138 VanDerWaalsContact OG1-CA 3.28Å; T112-S138 WeakPolarHBondContact OG1-CA 3.43Å; T112-S138 PolarHBondContact OG1-N 3.44Å; T112-S138 PolarHBondContact OG1-O 3.1Å
139	S	98.7	Very high	98.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.165	C	C	.	.			trans	-135.9	175.3	176.4	-60.6	0	0	0	0	109.2	S31 T112 H113 N141	S31-S139 WeakPolarHBondContact CB-O 3.16Å; S31-S139 PolarHBondContact N-O 2.87Å; T112-S139 WeakPolarHBondContact CB-OG 3.3Å; T112-S139 PolarHBondContact N-OG 3.49Å; T112-S139 VanDerWaalsContact N-OG 3.09Å; T112-S139 PolarHBondContact OG1-OG 3.45Å; T112-S139 VanDerWaalsContact OG1-OG 3.05Å; H113-S139 PolarHBondContact ND1-OG 3.41Å; S139-N141 VanDerWaalsContact C-N 3.31Å; S139-N141 PolarHBondContact O-N 3.33Å
140	R	98.1	Very high	98.2	Very high	149 Å²	149	36.9 Å²	36.9	56%	0.562	18%	0.177	S	C	*	.	S	Bend	trans	-59.7	-39.1	176.9	-69.9	170	64.3	-167.7	-1.1	114	T29 I30 S31 E111	T29-R140 VanDerWaalsContact O-CA 3.26Å; T29-R140 WeakPolarHBondContact O-CA 3.38Å; T29-R140 WeakPolarHBondContact O-CB 3.19Å; T29-R140 WeakPolarHBondContact O-CG 3.12Å; I30-R140 HydrophobicContact CD1-CG 4.19Å; S31-R140 PolarHBondContact OG-O 2.85Å; E111-R140 VanDerWaalsContact OE2-CG 3.3Å; E111-R140 WeakPolarHBondContact OE2-CG 3.28Å; E111-R140 PolarHBondContact OE2-N 2.99Å
141	N	96	Very high	98.2	Very high	65 Å²	65	42.8 Å²	42.8	35%	0.348	20%	0.2	S	C	.	.	S	Bend	trans	-129.1	161.9	175.3	68.4	69.2	0	0	0	111.2	S139 V143 D144 R145	S139-N141 VanDerWaalsContact C-N 3.31Å; S139-N141 PolarHBondContact O-N 3.33Å; N141-V143 WeakPolarHBondContact OD1-CB 3.25Å; N141-V143 PolarHBondContact OD1-N 3.28Å; N141-V143 VanDerWaalsContact OD1-N 3.07Å; N141-D144 PolarHBondContact ND2-OD2 3.17Å; N141-D144 PolarHBondContact OD1-N 3.23Å; N141-D144 PolarHBondContact OD1-OD2 2.94Å; N141-R145 PolarHBondContact O-N 3.15Å
142	M	95.3	Very high	98.2	Very high	54 Å²	54	42.3 Å²	42.3	27%	0.266	20%	0.197	S	C	.	.	H	α-helix	trans	-73.8	-25.1	-175.7	-63.1	-55.6	-66.7	0	0	113.4	R145 M146 G193 L194	M142-R145 PolarHBondContact O-N 2.93Å; M142-M146 HydrophobicContact CE-CE 4.09Å; M142-M146 WeakPolarHBondContact O-CB 3.42Å; M142-M146 WeakPolarHBondContact O-CG 3.31Å; M142-M146 PolarHBondContact O-N 2.88Å; M142-G193 WeakPolarHBondContact CE-O 3.44Å; M142-L194 HydrophobicContact CE-CD2 4.5Å
143	V	96.9	Very high	98.2	Very high	94 Å²	94	45.2 Å²	45.2	57%	0.57	22%	0.218	S	C	*	.	H	α-helix	trans	-63.5	-55.5	177	175.3	0	0	0	0	109.5	N141 R145 M146 F147	N141-V143 WeakPolarHBondContact OD1-CB 3.25Å; N141-V143 PolarHBondContact OD1-N 3.28Å; N141-V143 VanDerWaalsContact OD1-N 3.07Å; V143-R145 VanDerWaalsContact C-N 3.28Å; V143-R145 PolarHBondContact O-N 2.95Å; V143-M146 PolarHBondContact O-N 3.29Å; V143-F147 HydrophobicContact CG1-CD2 3.73Å; V143-F147 HydrophobicContact CG1-CE2 3.92Å; V143-F147 WeakPolarHBondContact O-CD2 3.18Å; V143-F147 PolarHBondContact O-N 3.43Å
144	D	98.6	Very high	98.1	Very high	56 Å²	56	52.2 Å²	52.2	30%	0.299	25%	0.25	S	S	.	.	H	α-helix	trans	-60.5	-40.5	178.7	-68.3	-29.1	0	0	0	111.4	H113 N141 M146 G148	H113-D144 HydrophobicContact CB-CB 4.35Å; H113-D144 IonicContact CE1-OD2 3.31Å; H113-D144 WeakPolarHBondContact ND1-CB 3.17Å; H113-D144 IonicContact NE2-OD2 3.95Å; N141-D144 PolarHBondContact ND2-OD2 3.17Å; N141-D144 PolarHBondContact OD1-N 3.23Å; N141-D144 PolarHBondContact OD1-OD2 2.94Å; D144-M146 PolarHBondContact O-N 3.48Å; D144-G148 PolarHBondContact O-N 2.88Å
145	R	98.2	Very high	98.1	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.1	-50.2	175	-172	178	-177.9	-168.4	-3.6	111.7	T112 V134 V137 N141 M142 V143 G148 F149 S192 L194	T112-R145 HydrophobicContact CG2-CG 4.4Å; T112-R145 WeakPolarHBondContact CG2-O 3.31Å; V134-R145 PolarHBondContact O-NH2 2.95Å; V137-R145 PolarHBondContact O-NE 3.15Å; V137-R145 PolarHBondContact O-NH2 2.77Å; N141-R145 PolarHBondContact O-N 3.15Å; M142-R145 PolarHBondContact O-N 2.93Å; V143-R145 VanDerWaalsContact C-N 3.28Å; V143-R145 PolarHBondContact O-N 2.95Å; R145-G148 PolarHBondContact O-N 2.95Å; R145-F149 HydrophobicContact CG-CD2 4.24Å; R145-F149 HydrophobicContact CG-CE2 3.58Å; R145-F149 HydrophobicContact CG-CZ 3.96Å; R145-F149 WeakPolarHBondContact O-CD2 3.19Å; R145-F149 WeakPolarHBondContact O-CG 3.26Å; R145-F149 PolarHBondContact O-N 2.74Å; R145-F149 VanDerWaalsContact O-N 3.07Å; R145-S192 PolarHBondContact NH1-O 3.31Å; R145-S192 PolarHBondContact NH2-OG 3.42Å; R145-L194 VanDerWaalsContact CZ-CD2 3.42Å
146	M	97.7	Very high	98.1	Very high	65 Å²	65	54.3 Å²	54.3	32%	0.32	27%	0.273	S	S	.	.	H	α-helix	trans	-67.6	-45.1	-177.1	-70.9	-56.2	99	0	0	112.3	M142 V143 D144 G148 F149 Q150 L194	M142-M146 HydrophobicContact CE-CE 4.09Å; M142-M146 WeakPolarHBondContact O-CB 3.42Å; M142-M146 WeakPolarHBondContact O-CG 3.31Å; M142-M146 PolarHBondContact O-N 2.88Å; V143-M146 PolarHBondContact O-N 3.29Å; D144-M146 PolarHBondContact O-N 3.48Å; M146-G148 VanDerWaalsContact C-N 3.3Å; M146-G148 PolarHBondContact O-N 2.97Å; M146-F149 HydrophobicContact CE-CD2 3.5Å; M146-F149 VanDerWaalsContact CE-CD2 3.5Å; M146-F149 HydrophobicContact CE-CE2 3.55Å; M146-F149 PolarHBondContact O-N 2.91Å; M146-F149 HydrophobicContact SD-CD2 4.38Å; M146-Q150 WeakPolarHBondContact O-CG 3.44Å; M146-Q150 PolarHBondContact O-N 3.45Å; M146-L194 HydrophobicContact CE-CD2 3.47Å; M146-L194 VanDerWaalsContact CE-CD2 3.47Å
147	F	98.2	Very high	98	Very high	132 Å²	132	54.5 Å²	54.5	58%	0.579	28%	0.275	S	S	*	.	H	α-helix	trans	-68.3	-31.2	177.6	-79.5	-75.5	0	0	0	112.2	V143 Q150 R151	V143-F147 HydrophobicContact CG1-CD2 3.73Å; V143-F147 HydrophobicContact CG1-CE2 3.92Å; V143-F147 WeakPolarHBondContact O-CD2 3.18Å; V143-F147 PolarHBondContact O-N 3.43Å; F147-Q150 PolarHBondContact O-N 3.49Å; F147-R151 VanDerWaalsContact O-CB 3.3Å; F147-R151 WeakPolarHBondContact O-CB 3.38Å; F147-R151 PolarHBondContact O-N 2.95Å
148	G	98.7	Very high	98	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.6	-45.4	169.9	0	0	0	0	0	112.5	D144 R145 M146 R151 M152	D144-G148 PolarHBondContact O-N 2.88Å; R145-G148 PolarHBondContact O-N 2.95Å; M146-G148 VanDerWaalsContact C-N 3.3Å; M146-G148 PolarHBondContact O-N 2.97Å; G148-R151 PolarHBondContact O-N 3.42Å; G148-M152 WeakPolarHBondContact O-CB 3.41Å; G148-M152 WeakPolarHBondContact O-CG 3.36Å; G148-M152 PolarHBondContact O-N 2.87Å
149	F	98.7	Very high	98	Very high	9 Å²	9	60.9 Å²	60.9	4%	0.039	30%	0.304	C	S	.	.	H	α-helix	trans	-61.7	-45.4	173.6	-68.8	-38.4	0	0	0	112.7	T112 V134 V137 R145 M146 R151 M152 S153 L159 L194	T112-F149 HydrophobicContact CG2-CD1 3.61Å; T112-F149 HydrophobicContact CG2-CE1 3.52Å; T112-F149 HydrophobicContact CG2-CG 4.19Å; T112-F149 HydrophobicContact CG2-CZ 4.05Å; V134-F149 HydrophobicContact CB-CE1 4.18Å; V134-F149 HydrophobicContact CB-CE2 4.2Å; V134-F149 HydrophobicContact CB-CZ 3.85Å; V134-F149 HydrophobicContact CG1-CD1 4.16Å; V134-F149 HydrophobicContact CG1-CE1 3.93Å; V134-F149 HydrophobicContact CG1-CE2 4.42Å; V134-F149 HydrophobicContact CG1-CZ 4.07Å; V137-F149 HydrophobicContact CB-CE1 4.05Å; V137-F149 HydrophobicContact CB-CZ 4.24Å; V137-F149 HydrophobicContact CG1-CE1 3.73Å; V137-F149 HydrophobicContact CG1-CZ 4.11Å; R145-F149 HydrophobicContact CG-CD2 4.24Å; R145-F149 HydrophobicContact CG-CE2 3.58Å; R145-F149 HydrophobicContact CG-CZ 3.96Å; R145-F149 WeakPolarHBondContact O-CD2 3.19Å; R145-F149 WeakPolarHBondContact O-CG 3.26Å; R145-F149 PolarHBondContact O-N 2.74Å; R145-F149 VanDerWaalsContact O-N 3.07Å; M146-F149 HydrophobicContact CE-CD2 3.5Å; M146-F149 VanDerWaalsContact CE-CD2 3.5Å; M146-F149 HydrophobicContact CE-CE2 3.55Å; M146-F149 PolarHBondContact O-N 2.91Å; M146-F149 HydrophobicContact SD-CD2 4.38Å; F149-R151 VanDerWaalsContact C-N 3.35Å; F149-R151 PolarHBondContact O-N 3.25Å; F149-M152 HydrophobicContact CD1-CE 3.67Å; F149-M152 HydrophobicContact CE1-CE 4.23Å; F149-M152 PolarHBondContact O-N 3.18Å; F149-S153 WeakPolarHBondContact O-CB 3.36Å; F149-S153 PolarHBondContact O-N 3.41Å; F149-L159 HydrophobicContact CB-CD1 3.84Å; F149-L159 HydrophobicContact CB-CD2 4.3Å; F149-L159 HydrophobicContact CD1-CD2 4.06Å; F149-L159 HydrophobicContact CG-CD1 4.49Å; F149-L159 HydrophobicContact CG-CD2 4.49Å; F149-L194 HydrophobicContact CE2-CD2 3.76Å
150	Q	98.5	Very high	98	Very high	105 Å²	105	61.9 Å²	61.9	49%	0.491	31%	0.31	S	S	.	.	H	α-helix	trans	-60.4	-45.5	177.3	-73.2	179.7	-26.2	0	0	111.5	M146 F147 S153 Q154	M146-Q150 WeakPolarHBondContact O-CG 3.44Å; M146-Q150 PolarHBondContact O-N 3.45Å; F147-Q150 PolarHBondContact O-N 3.49Å; Q150-S153 PolarHBondContact O-N 3.07Å; Q150-Q154 VanDerWaalsContact O-CG 3.29Å; Q150-Q154 WeakPolarHBondContact O-CG 2.96Å; Q150-Q154 PolarHBondContact O-N 3.39Å
151	R	98.6	Very high	98	Very high	125 Å²	125	57.5 Å²	57.5	47%	0.472	30%	0.3	S	S	.	.	H	α-helix	trans	-62	-46.1	178.1	178.6	56.7	178.9	175.9	1.6	111.7	Q117 F147 G148 F149 Q154 S155	Q117-R151 HydrophobicContact CG-CG 4.41Å; F147-R151 VanDerWaalsContact O-CB 3.3Å; F147-R151 WeakPolarHBondContact O-CB 3.38Å; F147-R151 PolarHBondContact O-N 2.95Å; G148-R151 PolarHBondContact O-N 3.42Å; F149-R151 VanDerWaalsContact C-N 3.35Å; F149-R151 PolarHBondContact O-N 3.25Å; R151-Q154 PolarHBondContact O-N 3.24Å; R151-S155 PolarHBondContact O-N 2.97Å; R151-S155 PolarHBondContact O-OG 3.42Å
152	M	98.8	Very high	98.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.5	-44.7	175.1	-77.5	-168.3	-69.1	0	0	111.8	T112 V116 Q117 A120 C132 G148 F149 Q154 S155 G156 V157	T112-M152 HydrophobicContact CG2-CE 3.76Å; V116-M152 HydrophobicContact CG1-CE 4.17Å; V116-M152 HydrophobicContact CG1-SD 4.04Å; Q117-M152 HydrophobicContact CB-CG 4.13Å; Q117-M152 HydrophobicContact CB-SD 4.36Å; Q117-M152 HydrophobicContact CG-CG 4.01Å; A120-M152 HydrophobicContact CB-CG 4.15Å; A120-M152 HydrophobicContact CB-SD 3.69Å; C132-M152 HydrophobicContact CB-CE 4.43Å; G148-M152 WeakPolarHBondContact O-CB 3.41Å; G148-M152 WeakPolarHBondContact O-CG 3.36Å; G148-M152 PolarHBondContact O-N 2.87Å; F149-M152 HydrophobicContact CD1-CE 3.67Å; F149-M152 HydrophobicContact CE1-CE 4.23Å; F149-M152 PolarHBondContact O-N 3.18Å; M152-Q154 PolarHBondContact O-N 3.05Å; M152-S155 CarbonylContact O-C 3.31Å; M152-S155 WeakPolarHBondContact O-CA 3.27Å; M152-S155 PolarHBondContact O-N 3.09Å; M152-G156 PolarHBondContact O-N 2.96Å; M152-V157 HydrophobicContact CB-CB 3.87Å; M152-V157 HydrophobicContact CB-CG1 4.24Å; M152-V157 HydrophobicContact CB-CG2 3.83Å; M152-V157 HydrophobicContact CG-CG2 4.34Å; M152-V157 VanDerWaalsContact O-CB 3.26Å; M152-V157 WeakPolarHBondContact O-CB 3.18Å; M152-V157 VanDerWaalsContact O-CG2 3.26Å; M152-V157 WeakPolarHBondContact O-CG2 3.3Å; M152-V157 PolarHBondContact O-N 3.25Å; M152-V157 VanDerWaalsContact O-N 3.08Å
153	S	98.4	Very high	98.3	Very high	61 Å²	61	56 Å²	56	43%	0.427	29%	0.29	S	S	.	.	H	α-helix	trans	-62.8	-41.2	179.1	-175.6	0	0	0	0	112.5	F149 Q150 S155 G156	F149-S153 WeakPolarHBondContact O-CB 3.36Å; F149-S153 PolarHBondContact O-N 3.41Å; Q150-S153 PolarHBondContact O-N 3.07Å; S153-S155 PolarHBondContact O-N 2.99Å; S153-G156 PolarHBondContact O-N 3.33Å
154	Q	98.3	Very high	98.3	Very high	147 Å²	147	54 Å²	54	69%	0.687	28%	0.281	S	S	*	.	H	α-helix	trans	-58.6	-28.8	173.1	-73.9	170.5	-1.2	0	0	112.8	Q150 R151 M152 G156	Q150-Q154 VanDerWaalsContact O-CG 3.29Å; Q150-Q154 WeakPolarHBondContact O-CG 2.96Å; Q150-Q154 PolarHBondContact O-N 3.39Å; R151-Q154 PolarHBondContact O-N 3.24Å; M152-Q154 PolarHBondContact O-N 3.05Å; Q154-G156 VanDerWaalsContact C-N 3.33Å
155	S	97.8	Very high	98.3	Very high	37 Å²	37	51.4 Å²	51.4	26%	0.259	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	6.7	177.2	-63.3	0	0	0	0	113.6	L121 R151 M152 S153	L121-S155 WeakPolarHBondContact CD2-OG 3.43Å; R151-S155 PolarHBondContact O-N 2.97Å; R151-S155 PolarHBondContact O-OG 3.42Å; M152-S155 CarbonylContact O-C 3.31Å; M152-S155 WeakPolarHBondContact O-CA 3.27Å; M152-S155 PolarHBondContact O-N 3.09Å; S153-S155 PolarHBondContact O-N 2.99Å
156	G	97.3	Very high	98.3	Very high	41 Å²	41	51.5 Å²	51.5	42%	0.423	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	15.2	176	0	0	0	0	0	114.9	M152 S153 Q154	M152-G156 PolarHBondContact O-N 2.96Å; S153-G156 PolarHBondContact O-N 3.33Å; Q154-G156 VanDerWaalsContact C-N 3.33Å
157	V	98.7	Very high	98.3	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.024	27%	0.268	C	S	.	.			trans	-74.3	132.2	169.2	-179.1	0	0	0	0	109.2	A120 I124 V130 C132 M152 L159	A120-V157 HydrophobicContact CB-CG2 3.84Å; I124-V157 HydrophobicContact CG1-CG2 4.19Å; V130-V157 HydrophobicContact CB-CG1 4.15Å; V130-V157 HydrophobicContact CB-CG2 4.26Å; V130-V157 HydrophobicContact CG1-CG1 3.93Å; V130-V157 HydrophobicContact CG1-CG2 4.5Å; C132-V157 HydrophobicContact CB-CG1 3.82Å; M152-V157 HydrophobicContact CB-CB 3.87Å; M152-V157 HydrophobicContact CB-CG1 4.24Å; M152-V157 HydrophobicContact CB-CG2 3.83Å; M152-V157 HydrophobicContact CG-CG2 4.34Å; M152-V157 VanDerWaalsContact O-CB 3.26Å; M152-V157 WeakPolarHBondContact O-CB 3.18Å; M152-V157 VanDerWaalsContact O-CG2 3.26Å; M152-V157 WeakPolarHBondContact O-CG2 3.3Å; M152-V157 PolarHBondContact O-N 3.25Å; M152-V157 VanDerWaalsContact O-N 3.08Å; V157-L159 PolarHBondContact O-N 3.48Å
158	Y	98.6	Very high	98.1	Very high	63 Å²	63	48.7 Å²	48.7	25%	0.247	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	114.5	173.8	-63	-82.3	0	0	0	109.3	R6 G8 Q129 V130 H131 C132	R6-Y158 WeakPolarHBondContact CB-OH 3.17Å; R6-Y158 PolarHBondContact O-OH 2.92Å; G8-Y158 PolarHBondContact N-OH 3.04Å; G8-Y158 VanDerWaalsContact N-OH 3.16Å; Q129-Y158 HydrophobicContact CG-CD2 3.94Å; Q129-Y158 HydrophobicContact CG-CE2 3.8Å; V130-Y158 PolarHBondContact O-N 2.86Å; H131-Y158 CarbonylContact C-O 3.49Å; H131-Y158 VanDerWaalsContact CA-O 3.25Å; H131-Y158 WeakPolarHBondContact CA-O 3.45Å; H131-Y158 AromaticContact CE1-CG 3.93Å; H131-Y158 AromaticContact NE2-CD2 3.9Å; C132-Y158 PolarHBondContact N-O 3.32Å
159	L	98.6	Very high	98.1	Very high	71 Å²	71	48.9 Å²	48.9	37%	0.372	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	124	170.4	-56.2	-175.7	0	0	0	108.3	C132 V134 F149 V157	C132-L159 HydrophobicContact CB-CD2 3.91Å; V134-L159 HydrophobicContact CG1-CB 3.83Å; V134-L159 HydrophobicContact CG1-CD2 4.17Å; V134-L159 HydrophobicContact CG1-CG 4.42Å; F149-L159 HydrophobicContact CB-CD1 3.84Å; F149-L159 HydrophobicContact CB-CD2 4.3Å; F149-L159 HydrophobicContact CD1-CD2 4.06Å; F149-L159 HydrophobicContact CG-CD1 4.49Å; F149-L159 HydrophobicContact CG-CD2 4.49Å; V157-L159 PolarHBondContact O-N 3.48Å
160	T	98.4	Very high	98	Very high	22 Å²	22	48.7 Å²	48.7	14%	0.135	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	170.7	-178.2	-168.8	0	0	0	0	110.2	H131 C132 I133 V134 S164 A165	H131-T160 HydrophobicContact CB-CG2 4.1Å; C132-T160 PolarHBondContact O-N 3.42Å; I133-T160 CarbonylContact C-O 3.49Å; I133-T160 WeakPolarHBondContact CA-O 3.32Å; I133-T160 HydrophobicContact CD1-CG2 3.59Å; V134-T160 WeakPolarHBondContact CG2-O 3.23Å; V134-T160 PolarHBondContact N-O 3.49Å; T160-S164 WeakPolarHBondContact OG1-CB 3.3Å; T160-S164 PolarHBondContact OG1-OG 2.64Å; T160-A165 HydrophobicContact CG2-CB 4.03Å
161	T	98.5	Very high	97.8	Very high	56 Å²	56	48.8 Å²	48.8	34%	0.344	27%	0.273	S	S	.	.			trans	-104.7	164	176.4	63.5	0	0	0	0	111.3	V134 D135 E163 S164 A165	V134-T161 HydrophobicContact CG2-CG2 4.16Å; D135-T161 VanDerWaalsContact OD1-CA 3.27Å; D135-T161 WeakPolarHBondContact OD1-CA 3.15Å; T161-E163 VanDerWaalsContact C-N 3.33Å; T161-E163 PolarHBondContact O-N 2.74Å; T161-S164 PolarHBondContact O-N 3.34Å; T161-S164 WeakPolarHBondContact OG1-CB 3.37Å; T161-S164 PolarHBondContact OG1-N 3.29Å; T161-A165 WeakPolarHBondContact O-CB 3.23Å; T161-A165 PolarHBondContact O-N 2.85Å
162	C	98.5	Very high	97.5	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-51.6	-52.8	174.5	174.1	0	0	0	0	111.1	T39 M43 I133 D135 S164 A165 L166	T39-C162 HydrophobicContact CG2-CB 3.45Å; T39-C162 VanDerWaalsContact CG2-CB 3.45Å; M43-C162 HydrophobicContact CG-CB 4.45Å; M43-C162 HydrophobicContact SD-CB 3.97Å; M43-C162 PolarHBondContact SD-SG 3Å; I133-C162 HydrophobicContact CG2-CB 4.06Å; D135-C162 PolarHBondContact OD1-N 3.37Å; D135-C162 WeakPolarHBondContact OD2-CB 3.44Å; D135-C162 PolarHBondContact OD2-N 3.3Å; C162-S164 PolarHBondContact O-N 3.11Å; C162-A165 PolarHBondContact O-N 3.37Å; C162-L166 WeakPolarHBondContact O-CB 3.43Å; C162-L166 VanDerWaalsContact O-CG 3.26Å; C162-L166 WeakPolarHBondContact O-CG 3.47Å; C162-L166 PolarHBondContact O-N 2.73Å
163	E	97.9	Very high	97.4	Very high	88 Å²	88	48.3 Å²	48.3	41%	0.411	29%	0.293	S	S	.	.	H	α-helix	trans	-62	-47.2	-179.5	-172.9	174.7	148.4	0	0	112.5	T161 A165 L166 L167 I185	T161-E163 VanDerWaalsContact C-N 3.33Å; T161-E163 PolarHBondContact O-N 2.74Å; E163-A165 PolarHBondContact O-N 3.36Å; E163-L166 PolarHBondContact O-N 2.88Å; E163-L167 HydrophobicContact CG-CD1 3.95Å; E163-L167 HydrophobicContact CG-CG 4.5Å; E163-L167 WeakPolarHBondContact O-CB 3.44Å; E163-L167 WeakPolarHBondContact O-CG 3.33Å; E163-L167 PolarHBondContact O-N 3.14Å; E163-I185 HydrophobicContact CG-CB 4.22Å; E163-I185 HydrophobicContact CG-CD1 3.9Å; E163-I185 HydrophobicContact CG-CG2 4.46Å
164	S	97.8	Very high	97.3	Very high	53 Å²	53	52.1 Å²	52.1	37%	0.371	31%	0.309	S	S	.	.	H	α-helix	trans	-62.6	-43.2	-179.8	-175.1	0	0	0	0	111.7	T160 T161 C162 T168	T160-S164 WeakPolarHBondContact OG1-CB 3.3Å; T160-S164 PolarHBondContact OG1-OG 2.64Å; T161-S164 PolarHBondContact O-N 3.34Å; T161-S164 WeakPolarHBondContact OG1-CB 3.37Å; T161-S164 PolarHBondContact OG1-N 3.29Å; C162-S164 PolarHBondContact O-N 3.11Å; S164-T168 WeakPolarHBondContact O-CB 3.37Å; S164-T168 PolarHBondContact O-N 2.67Å; S164-T168 PolarHBondContact O-OG1 3.04Å
165	A	98.4	Very high	97.2	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-64	-45.9	178.5	0	0	0	0	0	111.5	M43 L106 I133 T160 T161 C162 E163 T168 I169	M43-A165 HydrophobicContact CE-CB 4.48Å; L106-A165 HydrophobicContact CD1-CB 4.4Å; L106-A165 HydrophobicContact CD2-CB 4.35Å; I133-A165 HydrophobicContact CD1-CB 3.68Å; T160-A165 HydrophobicContact CG2-CB 4.03Å; T161-A165 WeakPolarHBondContact O-CB 3.23Å; T161-A165 PolarHBondContact O-N 2.85Å; C162-A165 PolarHBondContact O-N 3.37Å; E163-A165 PolarHBondContact O-N 3.36Å; A165-T168 PolarHBondContact O-N 3.14Å; A165-I169 WeakPolarHBondContact O-CB 3.2Å; A165-I169 WeakPolarHBondContact O-CG2 3.31Å; A165-I169 PolarHBondContact O-N 3.11Å
166	L	98.1	Very high	97.2	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-68.1	-38.2	-178.7	-69.8	-177.2	0	0	0	113.2	M43 A46 C162 E163 I169 L170 I181 I185	M43-L166 HydrophobicContact CE-CD2 4.02Å; M43-L166 HydrophobicContact CE-CG 4.4Å; M43-L166 HydrophobicContact SD-CD1 4.14Å; M43-L166 HydrophobicContact SD-CD2 4.03Å; M43-L166 HydrophobicContact SD-CG 3.87Å; A46-L166 HydrophobicContact CB-CD1 3.78Å; A46-L166 HydrophobicContact CB-CD2 3.42Å; A46-L166 VanDerWaalsContact CB-CD2 3.42Å; A46-L166 HydrophobicContact CB-CG 4.25Å; C162-L166 WeakPolarHBondContact O-CB 3.43Å; C162-L166 VanDerWaalsContact O-CG 3.26Å; C162-L166 WeakPolarHBondContact O-CG 3.47Å; C162-L166 PolarHBondContact O-N 2.73Å; E163-L166 PolarHBondContact O-N 2.88Å; L166-I169 WeakPolarHBondContact O-CG2 3.42Å; L166-L170 WeakPolarHBondContact O-CD1 3.33Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.41Å; L166-I181 HydrophobicContact CB-CG2 3.99Å; L166-I185 HydrophobicContact CD1-CG2 3.8Å
167	L	97.1	Very high	97.2	Very high	65 Å²	65	52.1 Å²	52.1	34%	0.34	30%	0.304	S	S	.	.	H	α-helix	trans	-73.5	-39.1	175.6	-71.7	176.7	0	0	0	112.1	E163 L170 F178 I185	E163-L167 HydrophobicContact CG-CD1 3.95Å; E163-L167 HydrophobicContact CG-CG 4.5Å; E163-L167 WeakPolarHBondContact O-CB 3.44Å; E163-L167 WeakPolarHBondContact O-CG 3.33Å; E163-L167 PolarHBondContact O-N 3.14Å; L167-L170 PolarHBondContact O-N 3.01Å; L167-F178 HydrophobicContact CD2-CE2 3.97Å; L167-I185 HydrophobicContact CD1-CD1 3.92Å; L167-I185 HydrophobicContact CD2-CD1 3.6Å; L167-I185 HydrophobicContact CG-CD1 3.64Å
168	T	95.7	Very high	97.1	Very high	74 Å²	74	54.1 Å²	54.1	45%	0.454	31%	0.312	S	S	.	.	H	α-helix	trans	-69.7	-38.4	-177.8	-58.1	0	0	0	0	111.9	S164 A165 L170 C171	S164-T168 WeakPolarHBondContact O-CB 3.37Å; S164-T168 PolarHBondContact O-N 2.67Å; S164-T168 PolarHBondContact O-OG1 3.04Å; A165-T168 PolarHBondContact O-N 3.14Å; T168-L170 PolarHBondContact O-N 3.35Å; T168-C171 PolarHBondContact O-N 3Å; T168-C171 VanDerWaalsContact O-N 3.15Å
169	I	97.6	Very high	97.1	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.015	34%	0.335	C	S	.	.	H	α-helix	trans	-67.8	-22	-178.3	-162.3	162.7	0	0	0	113.3	L10 L12 T15 L50 M52 L106 A165 L166 C171	L10-I169 HydrophobicContact CB-CB 4.23Å; L10-I169 HydrophobicContact CB-CD1 4.38Å; L10-I169 HydrophobicContact CB-CG1 4.08Å; L10-I169 HydrophobicContact CD1-CB 4.27Å; L12-I169 HydrophobicContact CB-CG1 3.98Å; L12-I169 HydrophobicContact CD1-CD1 3.91Å; L12-I169 HydrophobicContact CD1-CG1 3.98Å; T15-I169 HydrophobicContact CG2-CD1 3.93Å; L50-I169 HydrophobicContact CD1-CG2 4.14Å; M52-I169 HydrophobicContact CE-CD1 4Å; M52-I169 HydrophobicContact SD-CD1 4.02Å; L106-I169 HydrophobicContact CD1-CD1 4.46Å; A165-I169 WeakPolarHBondContact O-CB 3.2Å; A165-I169 WeakPolarHBondContact O-CG2 3.31Å; A165-I169 PolarHBondContact O-N 3.11Å; L166-I169 WeakPolarHBondContact O-CG2 3.42Å; I169-C171 VanDerWaalsContact C-N 3.32Å
170	L	97.1	Very high	97.1	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.026	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-18	175.6	-65.6	173.4	0	0	0	113.3	L50 L166 L167 T168 G172 H175 F178 I181	L50-L170 HydrophobicContact CD1-CD2 4.3Å; L50-L170 HydrophobicContact CD2-CD2 3.58Å; L166-L170 WeakPolarHBondContact O-CD1 3.33Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.41Å; L167-L170 PolarHBondContact O-N 3.01Å; T168-L170 PolarHBondContact O-N 3.35Å; L170-G172 PolarHBondContact O-N 3.17Å; L170-H175 HydrophobicContact CB-CB 4.17Å; L170-H175 HydrophobicContact CD2-CB 4.19Å; L170-H175 WeakPolarHBondContact CD2-ND1 3.49Å; L170-F178 HydrophobicContact CD1-CB 4.49Å; L170-F178 HydrophobicContact CD1-CD2 4Å; L170-I181 HydrophobicContact CD1-CB 3.95Å; L170-I181 HydrophobicContact CD1-CG1 4.13Å; L170-I181 HydrophobicContact CD1-CG2 3.88Å; L170-I181 HydrophobicContact CD2-CG1 4.28Å
171	C	93.2	Very high	97	Very high	107 Å²	107	58.6 Å²	58.6	72%	0.723	33%	0.325	S	S	*	.			trans	59.7	-5.8	-176.6	-63.8	0	0	0	0	116.7	T168 I169	T168-C171 PolarHBondContact O-N 3Å; T168-C171 VanDerWaalsContact O-N 3.15Å; I169-C171 VanDerWaalsContact C-N 3.32Å
172	G	93.8	Very high	97	Very high	25 Å²	25	60 Å²	60	26%	0.258	33%	0.328	S	S	.	.	S	Bend	trans	173.7	162.8	-179.7	0	0	0	0	0	113.4	L170 D174 H175	L170-G172 PolarHBondContact O-N 3.17Å; G172-D174 WeakPolarHBondContact CA-OD1 3.3Å; G172-D174 PolarHBondContact O-N 2.73Å; G172-H175 PolarHBondContact O-N 3.05Å
173	S	95	Very high	96.9	Very high	90 Å²	90	66.8 Å²	66.8	63%	0.629	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-8.4	176.8	57.8	0	0	0	0	113.7	H175 F178	S173-H175 VanDerWaalsContact C-N 3.31Å; S173-F178 WeakPolarHBondContact O-CD1 3.4Å
174	D	96.4	Very high	96.8	Very high	141 Å²	141	64 Å²	64	75%	0.754	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-12.1	173.3	62.5	-37.9	0	0	0	112.9	G172	G172-D174 WeakPolarHBondContact CA-OD1 3.3Å; G172-D174 PolarHBondContact O-N 2.73Å
175	H	97.2	Very high	96.7	Very high	49 Å²	49	62.1 Å²	62.1	23%	0.227	33%	0.331	C	S	.	.	S	Bend	trans	-58.4	133.2	176.3	-169.2	-82.3	0	0	0	111	L170 G172 S173 Q177 F178	L170-H175 HydrophobicContact CB-CB 4.17Å; L170-H175 HydrophobicContact CD2-CB 4.19Å; L170-H175 WeakPolarHBondContact CD2-ND1 3.49Å; G172-H175 PolarHBondContact O-N 3.05Å; S173-H175 VanDerWaalsContact C-N 3.31Å; H175-Q177 PolarHBondContact ND1-N 2.86Å; H175-Q177 VanDerWaalsContact ND1-N 3.2Å; H175-Q177 PolarHBondContact O-N 2.88Å; H175-F178 HydrophobicContact CB-CB 4.45Å; H175-F178 WeakPolarHBondContact O-CB 3.26Å; H175-F178 PolarHBondContact O-N 3.41Å
176	P	97.2	Very high	96.6	Very high	115 Å²	115	68.5 Å²	68.5	75%	0.747	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-33	-174.8	-29.2	35.2	0	0	0	115
177	Q	97.3	Very high	96.4	Very high	62 Å²	62	74.4 Å²	74.4	29%	0.29	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-0.2	179.3	-65.5	-67	-40.6	0	0	114.3	L50 H175 R179 D180 I181	L50-Q177 HydrophobicContact CD2-CB 3.75Å; L50-Q177 HydrophobicContact CD2-CG 4.15Å; H175-Q177 PolarHBondContact ND1-N 2.86Å; H175-Q177 VanDerWaalsContact ND1-N 3.2Å; H175-Q177 PolarHBondContact O-N 2.88Å; Q177-R179 PolarHBondContact O-N 3.2Å; Q177-D180 PolarHBondContact O-N 3.24Å; Q177-D180 VanDerWaalsContact O-N 3.12Å; Q177-I181 HydrophobicContact CB-CG1 4.48Å; Q177-I181 WeakPolarHBondContact O-CG1 3.49Å; Q177-I181 PolarHBondContact O-N 2.64Å
178	F	97.7	Very high	96.3	Very high	45 Å²	45	75.8 Å²	75.8	20%	0.197	40%	0.403	C	S	.	.	H	α-helix	trans	-54.7	-47.7	-172.9	171.3	-104.6	0	0	0	112.8	L167 L170 S173 H175 D180 I181 Q182	L167-F178 HydrophobicContact CD2-CE2 3.97Å; L170-F178 HydrophobicContact CD1-CB 4.49Å; L170-F178 HydrophobicContact CD1-CD2 4Å; S173-F178 WeakPolarHBondContact O-CD1 3.4Å; H175-F178 HydrophobicContact CB-CB 4.45Å; H175-F178 WeakPolarHBondContact O-CB 3.26Å; H175-F178 PolarHBondContact O-N 3.41Å; F178-D180 VanDerWaalsContact C-N 3.27Å; F178-D180 PolarHBondContact O-N 2.82Å; F178-I181 PolarHBondContact O-N 3.45Å; F178-Q182 VanDerWaalsContact O-CB 3.3Å; F178-Q182 WeakPolarHBondContact O-CB 3.39Å; F178-Q182 PolarHBondContact O-N 3.31Å
179	R	97.5	Very high	96.2	Very high	194 Å²	194	73.8 Å²	73.8	73%	0.732	39%	0.392	S	S	*	.	H	α-helix	trans	-62.4	-34.8	-178.8	-69.5	-175.8	179.8	178.9	0.4	112.8	Q177 K183	Q177-R179 PolarHBondContact O-N 3.2Å; R179-K183 WeakPolarHBondContact O-CG 3.47Å; R179-K183 PolarHBondContact O-N 3.22Å
180	D	97.8	Very high	96.2	Very high	56 Å²	56	75.2 Å²	75.2	30%	0.299	40%	0.401	S	S	.	.	H	α-helix	trans	-80.3	-36.9	-179	-62.6	-43.1	0	0	0	111.6	M49 Q177 F178 Q182 K183 I184	M49-D180 HydrophobicContact CE-CB 3.21Å; Q177-D180 PolarHBondContact O-N 3.24Å; Q177-D180 VanDerWaalsContact O-N 3.12Å; F178-D180 VanDerWaalsContact C-N 3.27Å; F178-D180 PolarHBondContact O-N 2.82Å; D180-Q182 VanDerWaalsContact C-N 3.32Å; D180-Q182 PolarHBondContact O-N 2.97Å; D180-K183 WeakPolarHBondContact O-CB 3.22Å; D180-K183 PolarHBondContact O-N 2.81Å; D180-K183 IonicContact OD1-NZ 2.75Å; D180-K183 PolarHBondContact OD1-NZ 3.26Å; D180-I184 PolarHBondContact O-N 2.9Å
181	I	97.6	Very high	96.1	Very high	0 Å²	0	80.1 Å²	80.1	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-61.8	-41.5	168.5	-63.5	-57.9	0	0	0	111.1	A46 L50 L166 L170 Q177 F178 K183 I184 I185	A46-I181 HydrophobicContact CB-CD1 3.62Å; L50-I181 HydrophobicContact CD1-CD1 4.08Å; L50-I181 HydrophobicContact CD1-CG1 4.44Å; L50-I181 HydrophobicContact CD2-CD1 4.28Å; L50-I181 HydrophobicContact CD2-CG1 4.17Å; L50-I181 HydrophobicContact CG-CD1 4.04Å; L50-I181 HydrophobicContact CG-CG1 4.44Å; L166-I181 HydrophobicContact CB-CG2 3.99Å; L170-I181 HydrophobicContact CD1-CB 3.95Å; L170-I181 HydrophobicContact CD1-CG1 4.13Å; L170-I181 HydrophobicContact CD1-CG2 3.88Å; L170-I181 HydrophobicContact CD2-CG1 4.28Å; Q177-I181 HydrophobicContact CB-CG1 4.48Å; Q177-I181 WeakPolarHBondContact O-CG1 3.49Å; Q177-I181 PolarHBondContact O-N 2.64Å; F178-I181 PolarHBondContact O-N 3.45Å; I181-K183 PolarHBondContact O-N 3.36Å; I181-I184 HydrophobicContact CD1-CD1 4.11Å; I181-I184 WeakPolarHBondContact O-CB 3.42Å; I181-I184 PolarHBondContact O-N 2.75Å; I181-I185 PolarHBondContact O-N 2.93Å
182	Q	97.1	Very high	96.2	Very high	85 Å²	85	75.2 Å²	75.2	40%	0.397	39%	0.394	S	S	.	.	H	α-helix	trans	-57.4	-37.1	176.9	-170.4	-176.7	5.3	0	0	111.9	F178 D180 I184 I185 L186	F178-Q182 VanDerWaalsContact O-CB 3.3Å; F178-Q182 WeakPolarHBondContact O-CB 3.39Å; F178-Q182 PolarHBondContact O-N 3.31Å; D180-Q182 VanDerWaalsContact C-N 3.32Å; D180-Q182 PolarHBondContact O-N 2.97Å; Q182-I184 VanDerWaalsContact C-N 3.29Å; Q182-I184 PolarHBondContact O-N 3.13Å; Q182-I185 WeakPolarHBondContact O-CG1 3.22Å; Q182-I185 PolarHBondContact O-N 3.21Å; Q182-L186 WeakPolarHBondContact O-CB 3.16Å; Q182-L186 PolarHBondContact O-N 2.83Å
183	K	97.5	Very high	96.2	Very high	143 Å²	143	74.2 Å²	74.2	62%	0.622	38%	0.384	S	S	*	.	H	α-helix	trans	-63.8	-32.7	175.6	-68	166.5	-168.6	162.8	0	112.7	R179 D180 I181	R179-K183 WeakPolarHBondContact O-CG 3.47Å; R179-K183 PolarHBondContact O-N 3.22Å; D180-K183 WeakPolarHBondContact O-CB 3.22Å; D180-K183 PolarHBondContact O-N 2.81Å; D180-K183 IonicContact OD1-NZ 2.75Å; D180-K183 PolarHBondContact OD1-NZ 3.26Å; I181-K183 PolarHBondContact O-N 3.36Å
184	I	96.6	Very high	96.1	Very high	29 Å²	29	71.6 Å²	71.6	15%	0.149	36%	0.362	C	S	.	.	H	α-helix	trans	-68.2	-39	178.2	-61.8	174.3	0	0	0	111	R42 T45 A46 M49 D180 I181 Q182	R42-I184 HydrophobicContact CB-CG2 3.62Å; R42-I184 HydrophobicContact CG-CG2 3.84Å; T45-I184 HydrophobicContact CG2-CD1 3.94Å; A46-I184 HydrophobicContact CB-CD1 3.87Å; M49-I184 HydrophobicContact SD-CD1 3.75Å; D180-I184 PolarHBondContact O-N 2.9Å; I181-I184 HydrophobicContact CD1-CD1 4.11Å; I181-I184 WeakPolarHBondContact O-CB 3.42Å; I181-I184 PolarHBondContact O-N 2.75Å; Q182-I184 VanDerWaalsContact C-N 3.29Å; Q182-I184 PolarHBondContact O-N 3.13Å
185	I	95.1	Very high	95.7	Very high	15 Å²	15	70.3 Å²	70.3	8%	0.077	36%	0.355	C	S	.	.	H	α-helix	trans	-97.2	-3.2	-176	61.7	171.9	0	0	0	113.7	E163 L166 L167 I181 Q182 K187	E163-I185 HydrophobicContact CG-CB 4.22Å; E163-I185 HydrophobicContact CG-CD1 3.9Å; E163-I185 HydrophobicContact CG-CG2 4.46Å; L166-I185 HydrophobicContact CD1-CG2 3.8Å; L167-I185 HydrophobicContact CD1-CD1 3.92Å; L167-I185 HydrophobicContact CD2-CD1 3.6Å; L167-I185 HydrophobicContact CG-CD1 3.64Å; I181-I185 PolarHBondContact O-N 2.93Å; Q182-I185 WeakPolarHBondContact O-CG1 3.22Å; Q182-I185 PolarHBondContact O-N 3.21Å; I185-K187 VanDerWaalsContact C-N 3.25Å; I185-K187 CarbonylContact C-O 3.57Å; I185-K187 CarbonylContact O-C 3.53Å; I185-K187 PolarHBondContact O-N 3.43Å
186	L	95.5	Very high	94.8	Very high	135 Å²	135	71.6 Å²	71.6	71%	0.707	37%	0.366	S	S	*	.	S	Bend	trans	-57.8	-39.7	-178.4	-176.6	66.1	0	0	0	112.2	Q182	Q182-L186 WeakPolarHBondContact O-CB 3.16Å; Q182-L186 PolarHBondContact O-N 2.83Å
187	K	94.2	Very high	93	Very high	125 Å²	125	68.8 Å²	68.8	54%	0.543	36%	0.358	S	S	.	.	S	Bend	trans	-83.2	127.9	167.4	-176.4	-170	170.8	-156.3	0	107.2	E38 R42 I185	E38-K187 IonicContact OE1-NZ 3.33Å; E38-K187 PolarHBondContact OE1-NZ 2.88Å; E38-K187 IonicContact OE2-NZ 3.08Å; R42-K187 PolarHBondContact NH1-O 2.73Å; I185-K187 VanDerWaalsContact C-N 3.25Å; I185-K187 CarbonylContact C-O 3.57Å; I185-K187 CarbonylContact O-C 3.53Å; I185-K187 PolarHBondContact O-N 3.43Å
188	P	94.5	Very high	91.3	Very high	94 Å²	94	72.3 Å²	72.3	61%	0.61	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-52.1	150.3	172.9	-27.9	35.5	0	0	0	112.6	R42	R42-P188 PolarHBondContact NH1-O 3.07Å; R42-P188 PolarHBondContact NH2-O 3.34Å
189	S	95.2	Very high	89.1	Confident	32 Å²	32	76.5 Å²	76.5	22%	0.224	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-55.8	141.3	168.9	-63.9	0	0	0	0	109.4	D135	D135-S189 WeakPolarHBondContact OD2-CB 3.29Å; D135-S189 PolarHBondContact OD2-OG 3.42Å
190	P	96.5	Very high	86.9	Confident	32 Å²	32	73 Å²	73	21%	0.208	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-58.6	147.9	175.2	25	-34	0	0	0	111.2	A35 E38 S192	A35-P190 HydrophobicContact CB-CB 3.8Å; A35-P190 HydrophobicContact CB-CG 3.68Å; A35-P190 WeakPolarHBondContact O-CG 3.31Å; E38-P190 HydrophobicContact CB-CG 4.07Å; E38-P190 HydrophobicContact CG-CG 4.23Å; P190-S192 PolarHBondContact O-N 2.7Å; P190-S192 VanDerWaalsContact O-N 3.15Å
191	D	95.2	Very high	84.3	Confident	109 Å²	109	76.5 Å²	76.5	58%	0.583	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-62.6	119.4	177.2	-176.6	11.4	0	0	0	110.3	G193	D191-G193 PolarHBondContact OD1-N 3.42Å
192	S	94.5	Very high	81.7	Confident	4 Å²	4	85.5 Å²	85.5	3%	0.028	46%	0.455	C	S	.	.			trans	-102.4	15.3	178.4	66.5	0	0	0	0	112.8	H32 R145 P190 L194	H32-S192 PolarHBondContact CD2-O 3.4Å; H32-S192 VanDerWaalsContact CG-C 3.45Å; R145-S192 PolarHBondContact NH1-O 3.31Å; R145-S192 PolarHBondContact NH2-OG 3.42Å; P190-S192 PolarHBondContact O-N 2.7Å; P190-S192 VanDerWaalsContact O-N 3.15Å; S192-L194 PolarHBondContact O-N 2.92Å; S192-L194 WeakPolarHBondContact OG-CG 3.31Å
193	G	94.1	Very high	79.3	Confident	3 Å²	3	88.9 Å²	88.9	3%	0.031	47%	0.474	C	S	.	.	S	Bend	trans	75.2	5.4	176.4	0	0	0	0	0	114.6	H32 M142 D191 L195 T196	H32-G193 WeakPolarHBondContact NE2-CA 3.16Å; M142-G193 WeakPolarHBondContact CE-O 3.44Å; D191-G193 PolarHBondContact OD1-N 3.42Å; G193-L195 PolarHBondContact O-N 3.21Å; G193-T196 PolarHBondContact O-OG1 3.12Å
194	L	93.6	Very high	77	Confident	35 Å²	35	90.5 Å²	90.5	18%	0.183	50%	0.503	C	S	.	.	S	Bend	trans	-60.9	-33	-179.7	-72.1	173.5	0	0	0	112.6	V134 D135 M142 R145 M146 F149 S192	V134-L194 HydrophobicContact CB-CD1 4.18Å; V134-L194 HydrophobicContact CG2-CD1 3.85Å; D135-L194 HydrophobicContact CB-CD1 4.45Å; M142-L194 HydrophobicContact CE-CD2 4.5Å; R145-L194 VanDerWaalsContact CZ-CD2 3.42Å; M146-L194 HydrophobicContact CE-CD2 3.47Å; M146-L194 VanDerWaalsContact CE-CD2 3.47Å; F149-L194 HydrophobicContact CE2-CD2 3.76Å; S192-L194 PolarHBondContact O-N 2.92Å; S192-L194 WeakPolarHBondContact OG-CG 3.31Å
195	L	88.1	Confident	76.1	Confident	114 Å²	114	93.6 Å²	93.6	60%	0.597	52%	0.521	S	S	*	.	S	Bend	trans	-111.3	-1	-173.5	-60.9	-178.2	0	0	0	114.4	G193 G197 F198	G193-L195 PolarHBondContact O-N 3.21Å; L195-G197 PolarHBondContact O-N 2.83Å; L195-G197 VanDerWaalsContact O-N 3.12Å; L195-F198 HydrophobicContact CB-CD2 4.47Å; L195-F198 HydrophobicContact CD2-CD2 3.83Å; L195-F198 HydrophobicContact CD2-CE2 4.04Å; L195-F198 PolarHBondContact O-N 2.84Å
196	T	77.3	Confident	75.1	Confident	76 Å²	76	97.7 Å²	97.7	47%	0.466	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.1	-174	50.9	0	0	0	0	113	G193	G193-T196 PolarHBondContact O-OG1 3.12Å
197	G	60.8	Low	73.9	Confident	56 Å²	56	95.6 Å²	95.6	58%	0.577	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.7	173.3	0	0	0	0	0	115.9	L195 T200	L195-G197 PolarHBondContact O-N 2.83Å; L195-G197 VanDerWaalsContact O-N 3.12Å; G197-T200 PolarHBondContact O-OG1 2.92Å
198	F	60.1	Low	72.7	Confident	137 Å²	137	93.9 Å²	93.9	60%	0.601	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-17.8	179.5	-68	-84.6	0	0	0	113	L195 T200 L201	L195-F198 HydrophobicContact CB-CD2 4.47Å; L195-F198 HydrophobicContact CD2-CD2 3.83Å; L195-F198 HydrophobicContact CD2-CE2 4.04Å; L195-F198 PolarHBondContact O-N 2.84Å; F198-T200 PolarHBondContact O-N 3.44Å; F198-L201 PolarHBondContact O-N 3.12Å
199	N	52.2	Low	71.4	Confident	133 Å²	133	93.9 Å²	93.9	71%	0.711	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.9	180	-80.7	-16.2	0	0	0	114.3	L201	N199-L201 VanDerWaalsContact C-N 3.34Å
200	T	50.5	Low	69.8	Low	121 Å²	121	98 Å²	98	74%	0.742	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-11.2	174.3	50.2	0	0	0	0	113.3	G197 F198 K202	G197-T200 PolarHBondContact O-OG1 2.92Å; F198-T200 PolarHBondContact O-N 3.44Å; T200-K202 PolarHBondContact O-N 3.25Å
201	L	44.4	Very low	67.9	Low	128 Å²	128	102.7 Å²	102.7	67%	0.67	58%	0.575	S	S	*	*			trans	-90.7	55.5	168.4	-67.6	168	0	0	0	110.1	F198 N199 I203	F198-L201 PolarHBondContact O-N 3.12Å; N199-L201 VanDerWaalsContact C-N 3.34Å; L201-I203 PolarHBondContact O-N 2.82Å
202	K	42.1	Very low	65.8	Low	190 Å²	190	102.2 Å²	102.2	83%	0.826	57%	0.574	S	S	*	*			trans	-66.3	91.8	147.8	-80	-169.7	179.1	-178.2	0	105.6	T200 S204	T200-K202 PolarHBondContact O-N 3.25Å; K202-S204 VanDerWaalsContact C-N 3.29Å; K202-S204 PolarHBondContact O-N 2.75Å
203	I	48.1	Very low	63.4	Low	155 Å²	155	110.4 Å²	110.4	80%	0.795	62%	0.62	S	S	*	*			trans	-61.7	101.3	164.3	-57.3	172.7	0	0	0	104.8	L201	L201-I203 PolarHBondContact O-N 2.82Å
204	S	49.4	Very low	60.6	Low	177 Å²	177	120.2 Å²	120.2	100%	1.238	67%	0.673	S	S	*	*			trans	-66.7	0	161	58.3	0	0	0	0	109.5	K202	K202-S204 VanDerWaalsContact C-N 3.29Å; K202-S204 PolarHBondContact O-N 2.75Å

Retrieved 204 of 204 residues in 130.1 ms (Link to these results)

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