A0A5K4F2U6_SCHMA Loading...

Nucleoside diphosphate kinase 5

AlphaFold DB , UniProt , Accession A0A5K4F2U6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 207 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	35.4	Very low	48	Very low	246 Å²	246	148.1 Å²	148.1	100%	1.212	75%	0.753	S	S	*	*				0	96.8	0	-72.1	176.9	176.8	0	0	107.5
2	A	32.6	Very low	51.6	Low	101 Å²	101	137.3 Å²	137.3	84%	0.835	70%	0.698	S	S	*	*			trans	-71.9	125.7	177.4	0	0	0	0	0	108.2	E4	A2-E4 PolarHBondContact O-N 3.11Å
3	R	38.3	Very low	54.8	Low	238 Å²	238	131.5 Å²	131.5	90%	0.898	66%	0.662	S	S	*	*			trans	-66.2	117.4	168.9	-68	-176.3	179.6	-172.1	-0.2	106.5	N5	R3-N5 PolarHBondContact O-N 3.12Å; R3-N5 VanDerWaalsContact O-N 3.08Å
4	E	38.6	Very low	57.8	Low	189 Å²	189	122.1 Å²	122.1	88%	0.883	62%	0.615	S	S	*	*			trans	-54.2	113.6	169.4	-76.6	173.5	148.2	0	0	108.5	A2 S6	A2-E4 PolarHBondContact O-N 3.11Å; E4-S6 VanDerWaalsContact C-N 3.29Å; E4-S6 PolarHBondContact O-N 3.22Å
5	N	37.5	Very low	60.5	Low	161 Å²	161	114 Å²	114	86%	0.861	57%	0.574	S	S	*	*			trans	-65.3	94.7	167.5	-89.7	-9.5	0	0	0	107.6	R3	R3-N5 PolarHBondContact O-N 3.12Å; R3-N5 VanDerWaalsContact O-N 3.08Å
6	S	39.8	Very low	62.8	Low	83 Å²	83	106.9 Å²	106.9	58%	0.58	54%	0.538	S	S	*	.			trans	-62.7	124.7	167.8	-150.1	0	0	0	0	108.1	E4 Y8	E4-S6 VanDerWaalsContact C-N 3.29Å; E4-S6 PolarHBondContact O-N 3.22Å; S6-Y8 PolarHBondContact O-N 2.87Å; S6-Y8 WeakPolarHBondContact OG-CD2 3.5Å
7	P	49.7	Very low	64.9	Low	121 Å²	121	100.7 Å²	100.7	79%	0.786	51%	0.507	S	S	*	.	S	Bend	trans	-72.5	11.7	-179.1	30.6	-35.6	0	0	0	113.3
8	Y	49.4	Very low	66.8	Low	196 Å²	196	95.1 Å²	95.1	77%	0.769	48%	0.479	S	S	*	.			trans	-88.5	112.9	179.1	-66.3	-82.5	0	0	0	109.6	S6 H10	S6-Y8 PolarHBondContact O-N 2.87Å; S6-Y8 WeakPolarHBondContact OG-CD2 3.5Å; Y8-H10 PolarHBondContact O-N 3.39Å; Y8-H10 VanDerWaalsContact O-N 3.08Å
9	I	54.7	Low	68.4	Low	125 Å²	125	90.7 Å²	90.7	64%	0.641	46%	0.456	S	S	*	.			trans	-61.8	110.7	166.9	-61.1	172.1	0	0	0	107.1	I11 E86	I9-I11 HydrophobicContact CG2-CD1 3.78Å; I9-I11 HydrophobicContact CG2-CG1 4.35Å; I9-I11 PolarHBondContact O-N 3.07Å; I9-E86 HydrophobicContact CG2-CB 4.39Å
10	H	69.3	Low	69.9	Low	96 Å²	96	87.2 Å²	87.2	44%	0.444	44%	0.44	S	S	.	.			trans	-82.7	103.8	177.4	-171.7	-80.8	0	0	0	109.1	Y8 E12	Y8-H10 PolarHBondContact O-N 3.39Å; Y8-H10 VanDerWaalsContact O-N 3.08Å; H10-E12 PolarHBondContact O-N 3.14Å
11	I	82.7	Confident	71.1	Confident	73 Å²	73	85.3 Å²	85.3	37%	0.374	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	112.1	174.5	-60.2	-62.2	0	0	0	108.9	I9 A84	I9-I11 HydrophobicContact CG2-CD1 3.78Å; I9-I11 HydrophobicContact CG2-CG1 4.35Å; I9-I11 PolarHBondContact O-N 3.07Å; I11-A84 HydrophobicContact CG2-CB 3.83Å
12	E	90.9	Very high	74.1	Confident	19 Å²	19	73.8 Å²	73.8	9%	0.089	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	149.2	173.2	-49.6	-175.5	176.6	0	0	109.7	H10 A84 R85 N87 A88 I89 F131	H10-E12 PolarHBondContact O-N 3.14Å; E12-A84 WeakPolarHBondContact O-CA 3.48Å; E12-A84 WeakPolarHBondContact O-CB 3.43Å; E12-R85 WeakPolarHBondContact CB-O 3.24Å; E12-R85 PolarHBondContact N-O 2.77Å; E12-R85 PolarHBondContact O-N 3.47Å; E12-R85 VanDerWaalsContact O-N 3.09Å; E12-N87 VanDerWaalsContact CD-CA 3.44Å; E12-N87 WeakPolarHBondContact OE1-CA 3.33Å; E12-N87 VanDerWaalsContact OE2-C 3.24Å; E12-N87 WeakPolarHBondContact OE2-CA 3.48Å; E12-A88 HydrophobicContact CB-CB 3.8Å; E12-A88 PolarHBondContact OE2-N 3.36Å; E12-I89 PolarHBondContact OE2-N 3.49Å; E12-I89 VanDerWaalsContact OE2-N 3.14Å; E12-F131 HydrophobicContact CB-CE1 4.07Å; E12-F131 VanDerWaalsContact CD-CE1 3.48Å; E12-F131 VanDerWaalsContact CD-CZ 3.41Å; E12-F131 HydrophobicContact CG-CE1 3.63Å; E12-F131 HydrophobicContact CG-CZ 4.01Å; E12-F131 WeakPolarHBondContact OE1-CZ 3.15Å
13	R	93.5	Very high	77.2	Confident	62 Å²	62	69.8 Å²	69.8	23%	0.234	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.5	166.8	-58.1	-169.5	-169.3	77.5	1	108.7	V82 I83 A84 I138 A148	R13-V82 HydrophobicContact CB-CG1 4.31Å; R13-I83 VanDerWaalsContact CA-O 3.31Å; R13-I83 WeakPolarHBondContact CA-O 3.44Å; R13-A84 HydrophobicContact CG-CB 4.03Å; R13-I138 HydrophobicContact CB-CD1 4.05Å; R13-A148 VanDerWaalsContact CZ-O 3.3Å; R13-A148 PolarHBondContact NH1-O 3Å; R13-A148 PolarHBondContact NH2-O 2.9Å
14	T	96.8	Very high	80	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	161.1	177.2	-167.7	0	0	0	0	110.5	I83 A88 L92	T14-I83 HydrophobicContact CG2-CD1 4.11Å; T14-I83 HydrophobicContact CG2-CG1 3.6Å; T14-I83 PolarHBondContact N-O 2.98Å; T14-I83 PolarHBondContact O-N 3.35Å; T14-A88 HydrophobicContact CG2-CB 4.07Å; T14-L92 HydrophobicContact CG2-CB 4.39Å; T14-L92 HydrophobicContact CG2-CD2 3.62Å
15	L	97.9	Very high	82.8	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	136.4	174.5	-160.2	84.5	0	0	0	110.2	I17 F56 V80 V82 A127 S128 E137 I138 F141 F142	L15-I17 HydrophobicContact CD2-CD1 3.77Å; L15-I17 HydrophobicContact CD2-CG1 3.69Å; L15-I17 HydrophobicContact CG-CG1 4.33Å; L15-F56 HydrophobicContact CD2-CE2 4.34Å; L15-F56 HydrophobicContact CD2-CZ 4.14Å; L15-V80 HydrophobicContact CD1-CG1 3.61Å; L15-V80 HydrophobicContact CD2-CG1 4.12Å; L15-V80 HydrophobicContact CG-CG1 4.05Å; L15-V82 HydrophobicContact CD1-CG2 4.2Å; L15-A127 WeakPolarHBondContact O-CA 3.26Å; L15-S128 WeakPolarHBondContact CB-OG 3.31Å; L15-S128 PolarHBondContact N-OG 3.09Å; L15-S128 PolarHBondContact O-N 2.79Å; L15-E137 HydrophobicContact CB-CB 4.21Å; L15-E137 HydrophobicContact CD2-CB 3.79Å; L15-I138 HydrophobicContact CB-CG1 4.3Å; L15-I138 HydrophobicContact CD1-CG1 3.98Å; L15-F141 HydrophobicContact CD1-CD2 4.28Å; L15-F141 HydrophobicContact CD2-CD2 3.67Å; L15-F141 HydrophobicContact CD2-CE2 3.72Å; L15-F142 HydrophobicContact CD1-CE2 4.34Å
16	L	98.4	Very high	85.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.3	165.6	176.5	80.6	0	0	0	108	I18 I29 I33 L81 I83 L92 I96 I125	L16-I18 HydrophobicContact CD2-CG1 4.46Å; L16-I29 HydrophobicContact CD2-CG2 4.49Å; L16-I33 HydrophobicContact CD2-CD1 4.05Å; L16-I33 HydrophobicContact CD2-CG1 4.04Å; L16-L81 HydrophobicContact CB-CB 4.3Å; L16-L81 HydrophobicContact CD2-CD1 4.18Å; L16-L81 PolarHBondContact N-O 2.76Å; L16-L81 PolarHBondContact O-N 3.29Å; L16-I83 HydrophobicContact CB-CD1 4.48Å; L16-L92 HydrophobicContact CB-CD2 4.24Å; L16-L92 HydrophobicContact CD1-CD1 3.83Å; L16-L92 HydrophobicContact CD1-CD2 4.11Å; L16-L92 HydrophobicContact CD1-CG 4.48Å; L16-I96 HydrophobicContact CD1-CG2 4.48Å; L16-I125 HydrophobicContact CD1-CD1 4.4Å; L16-I125 HydrophobicContact CD1-CG2 3.33Å; L16-I125 HydrophobicContact CG-CG2 4.41Å
17	I	98.6	Very high	88.5	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.9	168.8	-53.8	172.7	0	0	0	108.8	L15 F56 I78 E79 V80 I125 H126 F141	L15-I17 HydrophobicContact CD2-CD1 3.77Å; L15-I17 HydrophobicContact CD2-CG1 3.69Å; L15-I17 HydrophobicContact CG-CG1 4.33Å; I17-F56 HydrophobicContact CD1-CE1 3.72Å; I17-F56 HydrophobicContact CD1-CZ 3.64Å; I17-I78 HydrophobicContact CG2-CB 3.88Å; I17-I78 HydrophobicContact CG2-CD1 3.8Å; I17-I78 HydrophobicContact CG2-CG1 4.27Å; I17-I78 HydrophobicContact CG2-CG2 4.35Å; I17-E79 CarbonylContact C-O 3.53Å; I17-E79 WeakPolarHBondContact CA-O 3.39Å; I17-V80 HydrophobicContact CG1-CG1 4.27Å; I17-V80 HydrophobicContact CG1-CG2 4.31Å; I17-V80 HydrophobicContact CG2-CG2 4.48Å; I17-I125 WeakPolarHBondContact O-CA 3.38Å; I17-H126 HydrophobicContact CB-CB 4.11Å; I17-H126 HydrophobicContact CD1-CB 4.48Å; I17-H126 PolarHBondContact N-O 2.62Å; I17-H126 PolarHBondContact O-N 3.37Å; I17-F141 HydrophobicContact CD1-CE2 3.72Å; I17-F141 HydrophobicContact CD1-CZ 3.94Å; I17-F141 HydrophobicContact CG1-CE2 4.47Å
18	I	98.5	Very high	90.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	116.4	167.7	-52.1	-179	0	0	0	106.8	L16 I22 A26 I29 I78 E79 L81	L16-I18 HydrophobicContact CD2-CG1 4.46Å; I18-I22 HydrophobicContact CG2-CD1 3.87Å; I18-I22 HydrophobicContact CG2-CG1 3.67Å; I18-A26 HydrophobicContact CD1-CB 3.99Å; I18-I29 HydrophobicContact CD1-CB 3.92Å; I18-I29 HydrophobicContact CD1-CD1 4.27Å; I18-I29 HydrophobicContact CD1-CG2 3.73Å; I18-I29 HydrophobicContact CG1-CG2 4.3Å; I18-I29 HydrophobicContact CG2-CD1 4.17Å; I18-I78 WeakPolarHBondContact O-CA 3.41Å; I18-I78 WeakPolarHBondContact O-CB 3.34Å; I18-E79 HydrophobicContact CB-CB 3.9Å; I18-E79 HydrophobicContact CD1-CB 4.19Å; I18-E79 HydrophobicContact CG1-CB 4.23Å; I18-E79 PolarHBondContact N-O 3.4Å; I18-E79 PolarHBondContact O-N 3.37Å; I18-L81 HydrophobicContact CD1-CD1 4.15Å; I18-L81 HydrophobicContact CG1-CD1 4.26Å
19	K	97.9	Very high	93.1	Very high	11 Å²	11	47.5 Å²	47.5	5%	0.048	23%	0.23	C	C	.	.			trans	-79.2	167.8	-171.8	-65.8	177.3	167	-174.5	0	111.9	D21 I22 I23 Y72 I73 Q121 N123 G124	K19-D21 VanDerWaalsContact C-N 3.27Å; K19-D21 VanDerWaalsContact CB-OD1 3.3Å; K19-D21 WeakPolarHBondContact CB-OD1 3.32Å; K19-D21 PolarHBondContact O-N 2.95Å; K19-I22 PolarHBondContact O-N 3.26Å; K19-I23 PolarHBondContact O-N 3.25Å; K19-Y72 HydrophobicContact CB-CE1 4.48Å; K19-Y72 WeakPolarHBondContact CB-OH 3.33Å; K19-Y72 HydrophobicContact CD-CE1 3.92Å; K19-I73 HydrophobicContact CD-CD1 4.1Å; K19-I73 HydrophobicContact CG-CD1 3.94Å; K19-Q121 PolarHBondContact NZ-O 2.91Å; K19-N123 PolarHBondContact NZ-OD1 3.28Å; K19-G124 VanDerWaalsContact CB-O 3.25Å; K19-G124 WeakPolarHBondContact CB-O 3.4Å; K19-G124 WeakPolarHBondContact CG-O 3.35Å; K19-G124 PolarHBondContact N-O 3.26Å
20	P	97.9	Very high	95.2	Very high	20 Å²	20	42.8 Å²	42.8	13%	0.13	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-60.8	-32.7	-171.3	-26.1	37.1	0	0	0	114.5	I22 I23 P77 I78	P20-I22 PolarHBondContact O-N 3.33Å; P20-I23 WeakPolarHBondContact O-CG2 3.38Å; P20-P77 WeakPolarHBondContact CA-O 3.2Å; P20-I78 HydrophobicContact CG-CG2 3.79Å
21	D	95.8	Very high	96.5	Very high	48 Å²	48	43.6 Å²	43.6	26%	0.257	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-58.6	-31.3	-179.9	58.9	-24.8	0	0	0	113.7	K19 Y72 G124	K19-D21 VanDerWaalsContact C-N 3.27Å; K19-D21 VanDerWaalsContact CB-OD1 3.3Å; K19-D21 WeakPolarHBondContact CB-OD1 3.32Å; K19-D21 PolarHBondContact O-N 2.95Å; D21-Y72 HydrophobicContact CB-CE2 4.42Å; D21-Y72 WeakPolarHBondContact CB-OH 3.22Å; D21-Y72 PolarHBondContact OD1-OH 2.89Å; D21-Y72 PolarHBondContact OD2-OH 3.3Å; D21-G124 WeakPolarHBondContact OD1-CA 3.36Å; D21-G124 WeakPolarHBondContact OD2-CA 3.5Å; D21-G124 PolarHBondContact OD2-N 2.78Å; D21-G124 VanDerWaalsContact OD2-N 3.1Å
22	I	97.2	Very high	97.3	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.026	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-124.4	16.3	-171.5	66.7	158	0	0	0	112.7	I18 K19 P20 N24 Y25 I29 Y116 G124 I125	I18-I22 HydrophobicContact CG2-CD1 3.87Å; I18-I22 HydrophobicContact CG2-CG1 3.67Å; K19-I22 PolarHBondContact O-N 3.26Å; P20-I22 PolarHBondContact O-N 3.33Å; I22-N24 PolarHBondContact O-N 3.41Å; I22-N24 VanDerWaalsContact O-N 3.12Å; I22-Y25 HydrophobicContact CB-CD2 4.05Å; I22-Y25 WeakPolarHBondContact O-CB 3.43Å; I22-Y25 PolarHBondContact O-N 3.41Å; I22-I29 HydrophobicContact CD1-CD1 3.63Å; I22-Y116 HydrophobicContact CD1-CG 4.41Å; I22-Y116 HydrophobicContact CG2-CG 4.42Å; I22-G124 VanDerWaalsContact CD1-CA 3.44Å; I22-G124 VanDerWaalsContact CD1-O 3.26Å; I22-G124 WeakPolarHBondContact CD1-O 3.3Å; I22-G124 WeakPolarHBondContact CG1-O 3.39Å; I22-I125 HydrophobicContact CD1-CD1 4.37Å; I22-I125 HydrophobicContact CD1-CG1 3.77Å
23	I	97	Very high	97.6	Very high	17 Å²	17	41.4 Å²	41.4	9%	0.087	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-58.6	-28.9	-177.2	-162.9	64.6	0	0	0	112.9	K19 P20 Y25 A26 P77 E79	K19-I23 PolarHBondContact O-N 3.25Å; P20-I23 WeakPolarHBondContact O-CG2 3.38Å; I23-Y25 PolarHBondContact O-N 3.24Å; I23-A26 VanDerWaalsContact O-CB 3.24Å; I23-A26 WeakPolarHBondContact O-CB 3.44Å; I23-A26 PolarHBondContact O-N 3.23Å; I23-A26 VanDerWaalsContact O-N 3.11Å; I23-P77 HydrophobicContact CG1-CG 4.48Å; I23-E79 HydrophobicContact CD1-CB 3.79Å
24	N	97.2	Very high	97.8	Very high	154 Å²	154	42.9 Å²	42.9	82%	0.824	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-67.6	-14.5	175.8	-65.7	-28.4	0	0	0	113.2	I22	I22-N24 PolarHBondContact O-N 3.41Å; I22-N24 VanDerWaalsContact O-N 3.12Å
25	Y	98	Very high	97.9	Very high	116 Å²	116	49.2 Å²	49.2	46%	0.455	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-100.9	8.3	175.5	-56.7	-75.6	0	0	0	112.8	I22 I23 D27 K28 I29 Y116	I22-Y25 HydrophobicContact CB-CD2 4.05Å; I22-Y25 WeakPolarHBondContact O-CB 3.43Å; I22-Y25 PolarHBondContact O-N 3.41Å; I23-Y25 PolarHBondContact O-N 3.24Å; Y25-D27 PolarHBondContact O-N 2.87Å; Y25-K28 PolarHBondContact O-N 3.1Å; Y25-K28 VanDerWaalsContact O-N 3.16Å; Y25-I29 WeakPolarHBondContact O-CG1 3.36Å; Y25-I29 PolarHBondContact O-N 2.89Å; Y25-Y116 AromaticContact CD1-CE1 3.93Å; Y25-Y116 HydrophobicContact CD1-CE1 3.93Å; Y25-Y116 HydrophobicContact CD2-CD1 4.01Å; Y25-Y116 HydrophobicContact CD2-CE1 4.03Å; Y25-Y116 HydrophobicContact CE1-CE1 4.38Å; Y25-Y116 HydrophobicContact CE2-CD1 4.33Å; Y25-Y116 HydrophobicContact CE2-CE1 4.47Å; Y25-Y116 HydrophobicContact CG-CD1 4.18Å; Y25-Y116 AromaticContact CG-CE1 3.73Å; Y25-Y116 HydrophobicContact CG-CE1 3.73Å
26	A	98.1	Very high	97.8	Very high	2 Å²	2	54.1 Å²	54.1	2%	0.017	26%	0.261	C	S	.	.	H	α-helix	trans	-53.8	-50.8	-175.1	0	0	0	0	0	112.6	I18 I23 K28 I29 E30 E79	I18-A26 HydrophobicContact CD1-CB 3.99Å; I23-A26 VanDerWaalsContact O-CB 3.24Å; I23-A26 WeakPolarHBondContact O-CB 3.44Å; I23-A26 PolarHBondContact O-N 3.23Å; I23-A26 VanDerWaalsContact O-N 3.11Å; A26-K28 VanDerWaalsContact C-N 3.3Å; A26-K28 PolarHBondContact O-N 2.69Å; A26-I29 PolarHBondContact O-N 2.99Å; A26-I29 VanDerWaalsContact O-N 3.1Å; A26-E30 WeakPolarHBondContact O-CG 3.35Å; A26-E30 PolarHBondContact O-N 2.73Å; A26-E79 HydrophobicContact CB-CB 4.44Å; A26-E79 HydrophobicContact CB-CG 4.42Å
27	D	98.2	Very high	97.6	Very high	117 Å²	117	56.3 Å²	56.3	63%	0.626	29%	0.285	S	S	*	.	H	α-helix	trans	-60.1	-39.4	-179.2	-62.3	-25.8	0	0	0	112.3	Y25 E30 E31	Y25-D27 PolarHBondContact O-N 2.87Å; D27-E30 PolarHBondContact O-N 2.66Å; D27-E31 PolarHBondContact O-N 2.84Å
28	K	98.2	Very high	97.5	Very high	130 Å²	130	56.4 Å²	56.4	57%	0.565	29%	0.285	S	S	*	.	H	α-helix	trans	-68.3	-37.4	177.5	-174.4	178.2	179.2	-174	0	112	Y25 A26 L32	Y25-K28 PolarHBondContact O-N 3.1Å; Y25-K28 VanDerWaalsContact O-N 3.16Å; A26-K28 VanDerWaalsContact C-N 3.3Å; A26-K28 PolarHBondContact O-N 2.69Å; K28-L32 PolarHBondContact O-N 2.94Å; K28-L32 VanDerWaalsContact O-N 3.12Å
29	I	98.2	Very high	97.3	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-70.4	-40.6	176.8	-69.4	162.6	0	0	0	110	L16 I18 I22 Y25 A26 E31 L32 I33 L112 Y116 I125	L16-I29 HydrophobicContact CD2-CG2 4.49Å; I18-I29 HydrophobicContact CD1-CB 3.92Å; I18-I29 HydrophobicContact CD1-CD1 4.27Å; I18-I29 HydrophobicContact CD1-CG2 3.73Å; I18-I29 HydrophobicContact CG1-CG2 4.3Å; I18-I29 HydrophobicContact CG2-CD1 4.17Å; I22-I29 HydrophobicContact CD1-CD1 3.63Å; Y25-I29 WeakPolarHBondContact O-CG1 3.36Å; Y25-I29 PolarHBondContact O-N 2.89Å; A26-I29 PolarHBondContact O-N 2.99Å; A26-I29 VanDerWaalsContact O-N 3.1Å; I29-E31 VanDerWaalsContact C-N 3.35Å; I29-E31 PolarHBondContact O-N 3.42Å; I29-L32 WeakPolarHBondContact O-CB 3.36Å; I29-L32 PolarHBondContact O-N 2.98Å; I29-I33 HydrophobicContact CG2-CG1 4.35Å; I29-I33 VanDerWaalsContact O-CG1 3.22Å; I29-I33 WeakPolarHBondContact O-CG1 3.19Å; I29-I33 PolarHBondContact O-N 2.97Å; I29-L112 HydrophobicContact CG1-CD2 4.27Å; I29-L112 HydrophobicContact CG2-CD1 4.33Å; I29-Y116 HydrophobicContact CD1-CD2 4.33Å; I29-Y116 HydrophobicContact CD1-CE2 4.11Å; I29-Y116 HydrophobicContact CG1-CE2 3.99Å; I29-I125 HydrophobicContact CD1-CD1 4.3Å; I29-I125 HydrophobicContact CG2-CD1 4.12Å
30	E	98.2	Very high	97.2	Very high	25 Å²	25	63.5 Å²	63.5	12%	0.117	32%	0.322	C	S	.	.	H	α-helix	trans	-58.7	-45.6	174	-75.8	177.4	-140	0	0	111.9	A26 D27 L32 I33 L34 I40 K43 L81	A26-E30 WeakPolarHBondContact O-CG 3.35Å; A26-E30 PolarHBondContact O-N 2.73Å; D27-E30 PolarHBondContact O-N 2.66Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.29Å; E30-I33 WeakPolarHBondContact O-CB 3.39Å; E30-I33 PolarHBondContact O-N 3.47Å; E30-L34 WeakPolarHBondContact O-CG 3.5Å; E30-L34 PolarHBondContact O-N 3.34Å; E30-I40 HydrophobicContact CB-CD1 4.19Å; E30-I40 HydrophobicContact CG-CD1 4.22Å; E30-K43 VanDerWaalsContact OE1-CD 3.26Å; E30-K43 WeakPolarHBondContact OE1-CD 3.25Å; E30-K43 WeakPolarHBondContact OE1-CE 3.36Å; E30-K43 IonicContact OE1-NZ 2.69Å; E30-K43 PolarHBondContact OE1-NZ 3.35Å; E30-K43 WeakPolarHBondContact OE2-CD 3.01Å; E30-K43 IonicContact OE2-NZ 3.24Å; E30-K43 PolarHBondContact OE2-NZ 3.35Å; E30-L81 HydrophobicContact CG-CD2 3.66Å
31	E	98.2	Very high	97.1	Very high	113 Å²	113	66 Å²	66	53%	0.528	33%	0.334	S	S	.	.	H	α-helix	trans	-59.1	-45.9	175.1	-166.4	-173.7	175.2	0	0	111.4	D27 I29 I33 L34 Q35	D27-E31 PolarHBondContact O-N 2.84Å; I29-E31 VanDerWaalsContact C-N 3.35Å; I29-E31 PolarHBondContact O-N 3.42Å; E31-I33 VanDerWaalsContact C-N 3.33Å; E31-I33 PolarHBondContact O-N 2.98Å; E31-L34 PolarHBondContact O-N 3.45Å; E31-Q35 WeakPolarHBondContact O-CB 3.26Å; E31-Q35 VanDerWaalsContact O-CG 3.27Å; E31-Q35 WeakPolarHBondContact O-CG 3.42Å; E31-Q35 PolarHBondContact O-N 3.1Å; E31-Q35 PolarHBondContact OE1-NE2 2.66Å; E31-Q35 VanDerWaalsContact OE1-NE2 3.15Å
32	L	98.1	Very high	97.1	Very high	46 Å²	46	67.2 Å²	67.2	24%	0.241	34%	0.338	C	S	.	.	H	α-helix	trans	-60.8	-41.5	176.4	179.9	66.7	0	0	0	112.1	K28 I29 E30 L34 Q35 K36 L95 L112	K28-L32 PolarHBondContact O-N 2.94Å; K28-L32 VanDerWaalsContact O-N 3.12Å; I29-L32 WeakPolarHBondContact O-CB 3.36Å; I29-L32 PolarHBondContact O-N 2.98Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.29Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 3.04Å; L32-Q35 PolarHBondContact O-N 3.16Å; L32-K36 HydrophobicContact CD1-CG 4.27Å; L32-K36 HydrophobicContact CG-CG 4.4Å; L32-K36 WeakPolarHBondContact O-CB 3.45Å; L32-K36 VanDerWaalsContact O-CG 3.27Å; L32-K36 WeakPolarHBondContact O-CG 3.48Å; L32-K36 PolarHBondContact O-N 3.36Å; L32-L95 HydrophobicContact CD2-CD1 4.27Å; L32-L112 HydrophobicContact CD2-CD1 4.38Å; L32-L112 HydrophobicContact CD2-CD2 3.71Å; L32-L112 HydrophobicContact CD2-CG 4.26Å
33	I	98.1	Very high	97.1	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-59.9	-45.5	177.7	-71.2	-71.5	0	0	0	110.3	L16 I29 E30 E31 K36 G37 F38 I40 I83 L92 L95	L16-I33 HydrophobicContact CD2-CD1 4.05Å; L16-I33 HydrophobicContact CD2-CG1 4.04Å; I29-I33 HydrophobicContact CG2-CG1 4.35Å; I29-I33 VanDerWaalsContact O-CG1 3.22Å; I29-I33 WeakPolarHBondContact O-CG1 3.19Å; I29-I33 PolarHBondContact O-N 2.97Å; E30-I33 WeakPolarHBondContact O-CB 3.39Å; E30-I33 PolarHBondContact O-N 3.47Å; E31-I33 VanDerWaalsContact C-N 3.33Å; E31-I33 PolarHBondContact O-N 2.98Å; I33-K36 PolarHBondContact O-N 3.48Å; I33-G37 PolarHBondContact O-N 3.12Å; I33-F38 HydrophobicContact CG2-CB 3.59Å; I33-F38 HydrophobicContact CG2-CD2 4.3Å; I33-F38 HydrophobicContact CG2-CG 4.12Å; I33-F38 WeakPolarHBondContact O-CB 3.42Å; I33-F38 PolarHBondContact O-N 3.15Å; I33-I40 HydrophobicContact CG2-CG1 4.35Å; I33-I83 HydrophobicContact CD1-CD1 4.21Å; I33-I83 HydrophobicContact CG2-CD1 4.17Å; I33-I83 HydrophobicContact CG2-CG2 4.07Å; I33-L92 HydrophobicContact CD1-CD1 3.94Å; I33-L95 HydrophobicContact CD1-CD2 3.7Å
34	L	97.7	Very high	97.1	Very high	94 Å²	94	74.5 Å²	74.5	49%	0.492	37%	0.366	S	S	.	.	H	α-helix	trans	-63.7	-44.3	175.3	-66	171.6	0	0	0	111.9	E30 E31 L32 K36 G37 I40	E30-L34 WeakPolarHBondContact O-CG 3.5Å; E30-L34 PolarHBondContact O-N 3.34Å; E31-L34 PolarHBondContact O-N 3.45Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 3.04Å; L34-K36 PolarHBondContact O-N 3.41Å; L34-G37 WeakPolarHBondContact O-CA 3.15Å; L34-G37 PolarHBondContact O-N 2.95Å; L34-I40 HydrophobicContact CD1-CD1 4.35Å; L34-I40 HydrophobicContact CD2-CD1 4.01Å; L34-I40 HydrophobicContact CD2-CG1 4Å; L34-I40 HydrophobicContact CG-CD1 4.03Å; L34-I40 HydrophobicContact CG-CG1 4.49Å
35	Q	97.7	Very high	97.1	Very high	132 Å²	132	73.7 Å²	73.7	62%	0.617	35%	0.351	S	S	*	.	H	α-helix	trans	-61.6	-31	176	-71.7	173.5	6	0	0	112.5	E31 L32 G37	E31-Q35 WeakPolarHBondContact O-CB 3.26Å; E31-Q35 VanDerWaalsContact O-CG 3.27Å; E31-Q35 WeakPolarHBondContact O-CG 3.42Å; E31-Q35 PolarHBondContact O-N 3.1Å; E31-Q35 PolarHBondContact OE1-NE2 2.66Å; E31-Q35 VanDerWaalsContact OE1-NE2 3.15Å; L32-Q35 PolarHBondContact O-N 3.16Å; Q35-G37 PolarHBondContact O-N 3.22Å
36	K	97.1	Very high	97.1	Very high	103 Å²	103	69.9 Å²	69.9	45%	0.448	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	10.3	172.5	-67	-68.2	-178.5	-178.3	0	112.9	L32 I33 L34 F38 R85 L95	L32-K36 HydrophobicContact CD1-CG 4.27Å; L32-K36 HydrophobicContact CG-CG 4.4Å; L32-K36 WeakPolarHBondContact O-CB 3.45Å; L32-K36 VanDerWaalsContact O-CG 3.27Å; L32-K36 WeakPolarHBondContact O-CG 3.48Å; L32-K36 PolarHBondContact O-N 3.36Å; I33-K36 PolarHBondContact O-N 3.48Å; L34-K36 PolarHBondContact O-N 3.41Å; K36-F38 VanDerWaalsContact C-N 3.34Å; K36-F38 HydrophobicContact CB-CD2 3.99Å; K36-F38 HydrophobicContact CB-CE2 4.14Å; K36-F38 PolarHBondContact O-N 3.01Å; K36-R85 PolarHBondContact O-NH1 3.34Å; K36-L95 HydrophobicContact CB-CD2 4.44Å; K36-L95 HydrophobicContact CD-CD1 4.25Å; K36-L95 HydrophobicContact CG-CD1 4.03Å; K36-L95 HydrophobicContact CG-CD2 4.07Å
37	G	94.9	Very high	97.1	Very high	47 Å²	47	75.1 Å²	75.1	49%	0.485	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	18.2	172.2	0	0	0	0	0	114.5	I33 L34 Q35	I33-G37 PolarHBondContact O-N 3.12Å; L34-G37 WeakPolarHBondContact O-CA 3.15Å; L34-G37 PolarHBondContact O-N 2.95Å; Q35-G37 PolarHBondContact O-N 3.22Å
38	F	96.5	Very high	97.1	Very high	3 Å²	3	70 Å²	70	1%	0.013	34%	0.337	C	S	.	.			trans	-81.9	148.3	167.6	-69.2	-93.9	0	0	0	110.3	I33 K36 I83 R85 A88 I91 L92	I33-F38 HydrophobicContact CG2-CB 3.59Å; I33-F38 HydrophobicContact CG2-CD2 4.3Å; I33-F38 HydrophobicContact CG2-CG 4.12Å; I33-F38 WeakPolarHBondContact O-CB 3.42Å; I33-F38 PolarHBondContact O-N 3.15Å; K36-F38 VanDerWaalsContact C-N 3.34Å; K36-F38 HydrophobicContact CB-CD2 3.99Å; K36-F38 HydrophobicContact CB-CE2 4.14Å; K36-F38 PolarHBondContact O-N 3.01Å; F38-I83 HydrophobicContact CB-CB 4.38Å; F38-I83 HydrophobicContact CB-CD1 4.41Å; F38-I83 HydrophobicContact CD1-CB 4.23Å; F38-I83 HydrophobicContact CD1-CD1 3.47Å; F38-I83 VanDerWaalsContact CD1-CD1 3.47Å; F38-I83 HydrophobicContact CD1-CG1 3.82Å; F38-I83 HydrophobicContact CE1-CD1 3.74Å; F38-I83 HydrophobicContact CE1-CG1 4.27Å; F38-I83 HydrophobicContact CG-CD1 3.93Å; F38-I83 HydrophobicContact CZ-CD1 4.43Å; F38-R85 HydrophobicContact CD1-CB 3.69Å; F38-R85 HydrophobicContact CE1-CB 3.95Å; F38-R85 HydrophobicContact CG-CB 4.32Å; F38-A88 HydrophobicContact CD1-CB 4.39Å; F38-A88 HydrophobicContact CE1-CB 3.88Å; F38-I91 HydrophobicContact CE2-CG2 3.79Å; F38-I91 HydrophobicContact CZ-CB 3.98Å; F38-I91 HydrophobicContact CZ-CG2 3.61Å; F38-L92 HydrophobicContact CE1-CB 4.27Å; F38-L92 HydrophobicContact CZ-CB 3.99Å
39	L	94.1	Very high	97.1	Very high	109 Å²	109	66.7 Å²	66.7	57%	0.571	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	134.5	163.8	-60.5	174.9	0	0	0	108.8	I41 I83 A84	L39-I41 HydrophobicContact CB-CD1 3.92Å; L39-I83 CarbonylContact O-C 3.46Å; L39-I83 WeakPolarHBondContact O-CA 3.27Å; L39-A84 HydrophobicContact CB-CB 4.5Å; L39-A84 PolarHBondContact N-O 2.9Å; L39-A84 PolarHBondContact O-N 3.19Å
40	I	95.6	Very high	97.1	Very high	52 Å²	52	69.6 Å²	69.6	27%	0.267	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	110.5	167.3	-60.3	171.5	0	0	0	107.3	E30 I33 L34 K43 L81 I83	E30-I40 HydrophobicContact CB-CD1 4.19Å; E30-I40 HydrophobicContact CG-CD1 4.22Å; I33-I40 HydrophobicContact CG2-CG1 4.35Å; L34-I40 HydrophobicContact CD1-CD1 4.35Å; L34-I40 HydrophobicContact CD2-CD1 4.01Å; L34-I40 HydrophobicContact CD2-CG1 4Å; L34-I40 HydrophobicContact CG-CD1 4.03Å; L34-I40 HydrophobicContact CG-CG1 4.49Å; I40-K43 HydrophobicContact CG2-CB 4.35Å; I40-L81 HydrophobicContact CD1-CD2 3.88Å; I40-L81 HydrophobicContact CG1-CD2 4.17Å; I40-L81 HydrophobicContact CG2-CD2 4.1Å; I40-I83 HydrophobicContact CG1-CG2 4.19Å
41	I	94.7	Very high	97.1	Very high	73 Å²	73	75 Å²	75	37%	0.374	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-41.6	-176.5	-54.2	-57.7	0	0	0	111.1	L39 V82 A84 M145	L39-I41 HydrophobicContact CB-CD1 3.92Å; I41-V82 HydrophobicContact CB-CG1 4.5Å; I41-V82 PolarHBondContact N-O 3.41Å; I41-A84 HydrophobicContact CD1-CB 3.84Å; I41-A84 HydrophobicContact CG1-CB 3.63Å; I41-M145 HydrophobicContact CB-CE 4.11Å; I41-M145 HydrophobicContact CG2-CE 3.41Å; I41-M145 VanDerWaalsContact CG2-CE 3.41Å
42	Q	95.8	Very high	97.1	Very high	73 Å²	73	73.5 Å²	73.5	34%	0.341	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	152.9	173.5	-83.9	-140.5	60.6	0	0	110.1	L81 V82 F142 M145	Q42-L81 WeakPolarHBondContact O-CA 3.5Å; Q42-V82 HydrophobicContact CB-CB 4.31Å; Q42-V82 HydrophobicContact CB-CG2 4.25Å; Q42-V82 PolarHBondContact N-O 2.91Å; Q42-V82 PolarHBondContact O-N 3.25Å; Q42-F142 HydrophobicContact CB-CD1 3.9Å; Q42-F142 HydrophobicContact CB-CE1 3.54Å; Q42-F142 HydrophobicContact CB-CZ 4.05Å; Q42-F142 VanDerWaalsContact CD-CD1 3.43Å; Q42-F142 HydrophobicContact CG-CD1 4.25Å; Q42-F142 HydrophobicContact CG-CE1 4.28Å; Q42-F142 VanDerWaalsContact OE1-CD1 3.26Å; Q42-M145 HydrophobicContact CG-SD 4.33Å
43	K	97.1	Very high	97.1	Very high	81 Å²	81	71.3 Å²	71.3	35%	0.352	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	143.8	174.8	175	170	113.2	165	0	109.6	E30 I40 E79 V80 L81	E30-K43 VanDerWaalsContact OE1-CD 3.26Å; E30-K43 WeakPolarHBondContact OE1-CD 3.25Å; E30-K43 WeakPolarHBondContact OE1-CE 3.36Å; E30-K43 IonicContact OE1-NZ 2.69Å; E30-K43 PolarHBondContact OE1-NZ 3.35Å; E30-K43 WeakPolarHBondContact OE2-CD 3.01Å; E30-K43 IonicContact OE2-NZ 3.24Å; E30-K43 PolarHBondContact OE2-NZ 3.35Å; I40-K43 HydrophobicContact CG2-CB 4.35Å; K43-E79 HydrophobicContact CD-CG 4.06Å; K43-E79 VanDerWaalsContact CD-OE1 3.25Å; K43-E79 WeakPolarHBondContact CD-OE1 3.27Å; K43-E79 WeakPolarHBondContact CE-OE1 3.49Å; K43-E79 HydrophobicContact CG-CG 4.21Å; K43-E79 WeakPolarHBondContact CG-OE1 3.48Å; K43-E79 IonicContact NZ-OE1 3.79Å; K43-V80 CarbonylContact C-O 3.01Å; K43-V80 VanDerWaalsContact CA-O 3.29Å; K43-V80 WeakPolarHBondContact CA-O 3.26Å; K43-L81 HydrophobicContact CB-CG 4.42Å; K43-L81 HydrophobicContact CD-CD2 4.33Å; K43-L81 HydrophobicContact CD-CG 4.37Å; K43-L81 HydrophobicContact CG-CG 4.23Å
44	R	96.9	Very high	97	Very high	93 Å²	93	73 Å²	73	35%	0.351	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	145.2	165.4	64.5	-180	64.6	-159.2	-3.9	110.8	V46 V80 F141 F142	R44-V46 HydrophobicContact CB-CG1 4.38Å; R44-V46 HydrophobicContact CG-CG1 3.87Å; R44-V80 HydrophobicContact CG-CB 4.09Å; R44-V80 PolarHBondContact N-O 2.89Å; R44-V80 PolarHBondContact O-N 2.98Å; R44-F141 PolarHBondContact NE-O 3.3Å; R44-F141 PolarHBondContact NH1-O 3.25Å; R44-F141 PolarHBondContact NH2-O 3.37Å; R44-F142 HydrophobicContact CB-CE1 4.34Å; R44-F142 HydrophobicContact CB-CZ 4.36Å; R44-F142 HydrophobicContact CG-CE1 3.97Å; R44-F142 HydrophobicContact CG-CE2 4.43Å; R44-F142 HydrophobicContact CG-CZ 3.65Å
45	R	98.1	Very high	97	Very high	137 Å²	137	74.9 Å²	74.9	52%	0.517	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127.1	165.5	-172.3	170.8	-71.5	-171.5	-3.9	108.8	P77 I78 E79	R45-P77 HydrophobicContact CG-CB 4.12Å; R45-I78 VanDerWaalsContact CA-O 3.32Å; R45-I78 WeakPolarHBondContact CA-O 3.42Å; R45-E79 IonicContact CZ-OE2 2.93Å; R45-E79 VanDerWaalsContact CZ-OE2 3.24Å; R45-E79 IonicContact NE-OE2 2.95Å; R45-E79 PolarHBondContact NE-OE2 2.97Å; R45-E79 IonicContact NH2-OE2 3.39Å; R45-E79 PolarHBondContact NH2-OE2 3.33Å
46	V	97.5	Very high	97	Very high	37 Å²	37	69.8 Å²	69.8	22%	0.224	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	154.8	-178	-62.4	0	0	0	0	110	R44 L48 P77 I78 V80 F141	R44-V46 HydrophobicContact CB-CG1 4.38Å; R44-V46 HydrophobicContact CG-CG1 3.87Å; V46-L48 HydrophobicContact CG2-CD2 4.27Å; V46-P77 CarbonylContact O-C 3.55Å; V46-P77 WeakPolarHBondContact O-CA 3.38Å; V46-I78 HydrophobicContact CG2-CD1 3.85Å; V46-I78 HydrophobicContact CG2-CG1 3.55Å; V46-I78 PolarHBondContact N-O 2.97Å; V46-I78 WeakPolarHBondContact O-CG1 3.4Å; V46-I78 PolarHBondContact O-N 3.15Å; V46-V80 HydrophobicContact CG2-CG2 3.95Å; V46-F141 HydrophobicContact CG2-CD1 4.4Å; V46-F141 HydrophobicContact CG2-CE1 4.06Å
47	H	98.4	Very high	96.9	Very high	111 Å²	111	65.1 Å²	65.1	51%	0.514	33%	0.327	S	S	.	.			trans	-117.5	109.4	169.1	-171.5	164.5	0	0	0	106.9	S74 G76	H47-S74 PolarHBondContact NE2-O 3.29Å; H47-G76 PolarHBondContact CD2-O 2.95Å; H47-G76 PolarHBondContact NE2-N 2.93Å
48	L	98.1	Very high	97	Very high	9 Å²	9	65.5 Å²	65.5	5%	0.047	33%	0.326	C	S	.	.			trans	-74.2	134	-178.8	-64.5	-177.1	0	0	0	110.7	V46 Q52 A53 I73 S74 I78 F141	V46-L48 HydrophobicContact CG2-CD2 4.27Å; L48-Q52 HydrophobicContact CB-CB 4.35Å; L48-Q52 HydrophobicContact CD2-CB 4.02Å; L48-A53 HydrophobicContact CB-CB 4.25Å; L48-A53 HydrophobicContact CD1-CB 4.39Å; L48-I73 HydrophobicContact CD1-CG2 3.97Å; L48-S74 WeakPolarHBondContact O-CA 3.4Å; L48-S74 WeakPolarHBondContact O-CB 3.41Å; L48-I78 HydrophobicContact CD1-CD1 3.84Å; L48-I78 HydrophobicContact CG-CD1 3.98Å; L48-F141 HydrophobicContact CD1-CE1 4.26Å; L48-F141 HydrophobicContact CD1-CZ 4.17Å; L48-F141 HydrophobicContact CD2-CE1 4.01Å
49	T	98.3	Very high	96.8	Very high	61 Å²	61	71.6 Å²	71.6	37%	0.374	35%	0.354	S	S	.	.			trans	-64.5	156.5	161.8	57.4	0	0	0	0	110.2	E51 Q52 A53	T49-E51 WeakPolarHBondContact CB-OE2 3.35Å; T49-E51 PolarHBondContact O-N 2.99Å; T49-Q52 PolarHBondContact O-N 2.91Å; T49-Q52 WeakPolarHBondContact OG1-CB 3.43Å; T49-Q52 VanDerWaalsContact OG1-CD 3.29Å; T49-Q52 WeakPolarHBondContact OG1-CG 3.49Å; T49-Q52 PolarHBondContact OG1-N 3.08Å; T49-Q52 PolarHBondContact OG1-OE1 3.43Å; T49-A53 WeakPolarHBondContact O-CB 3.44Å; T49-A53 PolarHBondContact O-N 2.76Å
50	P	97.9	Very high	96.8	Very high	63 Å²	63	68.6 Å²	68.6	41%	0.409	34%	0.337	S	S	.	.	H	α-helix	trans	-52.3	-38	172.5	-27.5	36.3	0	0	0	112.7	A53 S54 I70	P50-A53 PolarHBondContact O-N 2.98Å; P50-S54 WeakPolarHBondContact O-CB 3.38Å; P50-S54 PolarHBondContact O-N 2.75Å; P50-S54 PolarHBondContact O-OG 2.84Å; P50-I70 HydrophobicContact CB-CG2 4.13Å; P50-I70 WeakPolarHBondContact O-CG2 3.1Å
51	E	98	Very high	96.7	Very high	137 Å²	137	74.9 Å²	74.9	64%	0.64	36%	0.359	S	S	*	.	H	α-helix	trans	-64.2	-47.7	178.6	-63.8	69.9	-152.2	0	0	111.6	T49 S54 E55	T49-E51 WeakPolarHBondContact CB-OE2 3.35Å; T49-E51 PolarHBondContact O-N 2.99Å; E51-S54 WeakPolarHBondContact O-CB 3.38Å; E51-S54 PolarHBondContact O-N 2.81Å; E51-E55 PolarHBondContact O-N 3.04Å
52	Q	97.9	Very high	96.7	Very high	82 Å²	82	74.7 Å²	74.7	38%	0.383	38%	0.375	S	S	.	.	H	α-helix	trans	-65.7	-39.8	176.6	-71.1	166.3	-39.2	0	0	112	L48 T49 S54 E55 F56 F140	L48-Q52 HydrophobicContact CB-CB 4.35Å; L48-Q52 HydrophobicContact CD2-CB 4.02Å; T49-Q52 PolarHBondContact O-N 2.91Å; T49-Q52 WeakPolarHBondContact OG1-CB 3.43Å; T49-Q52 VanDerWaalsContact OG1-CD 3.29Å; T49-Q52 WeakPolarHBondContact OG1-CG 3.49Å; T49-Q52 PolarHBondContact OG1-N 3.08Å; T49-Q52 PolarHBondContact OG1-OE1 3.43Å; Q52-S54 VanDerWaalsContact C-N 3.31Å; Q52-E55 PolarHBondContact O-N 2.87Å; Q52-F56 WeakPolarHBondContact O-CB 3.21Å; Q52-F56 PolarHBondContact O-N 2.77Å; Q52-F140 HydrophobicContact CB-CZ 4.44Å; Q52-F140 WeakPolarHBondContact O-CZ 3.44Å
53	A	98	Very high	96.7	Very high	0 Å²	0	77.1 Å²	77.1	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-63.7	-39.6	175.5	0	0	0	0	0	111.1	L48 T49 P50 F56 Y57 I70 I73	L48-A53 HydrophobicContact CB-CB 4.25Å; L48-A53 HydrophobicContact CD1-CB 4.39Å; T49-A53 WeakPolarHBondContact O-CB 3.44Å; T49-A53 PolarHBondContact O-N 2.76Å; P50-A53 PolarHBondContact O-N 2.98Å; A53-F56 PolarHBondContact O-N 3.48Å; A53-Y57 PolarHBondContact O-N 2.9Å; A53-I70 HydrophobicContact CB-CD1 4.28Å; A53-I70 HydrophobicContact CB-CG2 4.06Å; A53-I70 WeakPolarHBondContact O-CD1 3.21Å; A53-I73 HydrophobicContact CB-CG2 4.11Å
54	S	97.8	Very high	96.6	Very high	37 Å²	37	81.5 Å²	81.5	26%	0.259	41%	0.41	S	S	.	.	H	α-helix	trans	-61.8	-43.9	174.6	-83.4	0	0	0	0	112.7	P50 E51 Q52 Y57 A58 Y66	P50-S54 WeakPolarHBondContact O-CB 3.38Å; P50-S54 PolarHBondContact O-N 2.75Å; P50-S54 PolarHBondContact O-OG 2.84Å; E51-S54 WeakPolarHBondContact O-CB 3.38Å; E51-S54 PolarHBondContact O-N 2.81Å; Q52-S54 VanDerWaalsContact C-N 3.31Å; S54-Y57 CarbonylContact O-C 3.54Å; S54-A58 WeakPolarHBondContact O-CA 3.17Å; S54-A58 PolarHBondContact O-N 2.83Å; S54-A58 VanDerWaalsContact O-N 3.1Å; S54-Y66 WeakPolarHBondContact CA-OH 3.45Å; S54-Y66 WeakPolarHBondContact CB-OH 3.46Å; S54-Y66 PolarHBondContact O-OH 3.31Å; S54-Y66 PolarHBondContact OG-OH 3.23Å
55	E	97.4	Very high	96.4	Very high	132 Å²	132	80.8 Å²	80.8	62%	0.617	41%	0.409	S	S	*	.	H	α-helix	trans	-62.3	-46.5	175.6	-172.5	-179.8	-173.1	0	0	111.4	E51 Q52 Y57 A58 F140	E51-E55 PolarHBondContact O-N 3.04Å; Q52-E55 PolarHBondContact O-N 2.87Å; E55-Y57 PolarHBondContact O-N 3.35Å; E55-A58 VanDerWaalsContact O-CB 3.31Å; E55-A58 WeakPolarHBondContact O-CB 3.5Å; E55-A58 PolarHBondContact O-N 3.05Å; E55-F140 HydrophobicContact CB-CE2 4.11Å; E55-F140 HydrophobicContact CG-CE2 3.85Å
56	F	97.3	Very high	96.3	Very high	25 Å²	25	75.6 Å²	75.6	11%	0.11	39%	0.39	C	S	.	.	H	α-helix	trans	-61.7	-44.3	179.7	-176.3	-103	0	0	0	112.6	L15 I17 Q52 A53 A58 H126 E137 F140 F141	L15-F56 HydrophobicContact CD2-CE2 4.34Å; L15-F56 HydrophobicContact CD2-CZ 4.14Å; I17-F56 HydrophobicContact CD1-CE1 3.72Å; I17-F56 HydrophobicContact CD1-CZ 3.64Å; Q52-F56 WeakPolarHBondContact O-CB 3.21Å; Q52-F56 PolarHBondContact O-N 2.77Å; A53-F56 PolarHBondContact O-N 3.48Å; F56-A58 VanDerWaalsContact C-N 3.35Å; F56-A58 PolarHBondContact O-N 2.92Å; F56-H126 AromaticContact CZ-NE2 3.86Å; F56-E137 HydrophobicContact CE2-CB 3.88Å; F56-E137 HydrophobicContact CE2-CG 3.67Å; F56-E137 HydrophobicContact CZ-CB 4.24Å; F56-E137 HydrophobicContact CZ-CG 3.79Å; F56-F140 HydrophobicContact CB-CD1 4.44Å; F56-F140 HydrophobicContact CB-CE1 3.96Å; F56-F140 HydrophobicContact CB-CE2 4.34Å; F56-F140 HydrophobicContact CB-CZ 3.9Å; F56-F140 HydrophobicContact CD2-CB 4.4Å; F56-F140 AromaticContact CD2-CD1 3.6Å; F56-F140 HydrophobicContact CD2-CD1 3.6Å; F56-F140 AromaticContact CD2-CE1 3.94Å; F56-F140 HydrophobicContact CD2-CE1 3.94Å; F56-F140 AromaticContact CD2-CG 3.92Å; F56-F140 HydrophobicContact CD2-CG 3.92Å; F56-F140 HydrophobicContact CE2-CD1 4.37Å; F56-F140 HydrophobicContact CG-CD1 4.4Å; F56-F140 HydrophobicContact CG-CE1 4.31Å; F56-F141 HydrophobicContact CD2-CD2 4.48Å; F56-F141 AromaticContact CD2-CE2 3.66Å; F56-F141 HydrophobicContact CD2-CE2 3.66Å; F56-F141 HydrophobicContact CD2-CZ 4.09Å; F56-F141 HydrophobicContact CE1-CE2 4.47Å; F56-F141 HydrophobicContact CE2-CD2 4.05Å; F56-F141 AromaticContact CE2-CE2 3.3Å; F56-F141 HydrophobicContact CE2-CE2 3.3Å; F56-F141 HydrophobicContact CE2-CZ 4.11Å; F56-F141 HydrophobicContact CG-CE2 4.39Å; F56-F141 HydrophobicContact CG-CZ 4.45Å; F56-F141 AromaticContact CZ-CE2 3.77Å; F56-F141 HydrophobicContact CZ-CE2 3.77Å; F56-F141 HydrophobicContact CZ-CZ 4.47Å
57	Y	95.7	Very high	96.2	Very high	6 Å²	6	77.4 Å²	77.4	2%	0.024	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	21.8	-179.8	-72.7	-67.9	0	0	0	113.8	A53 S54 E55 E59 H60 Y66 L69 I70 I73 H126	A53-Y57 PolarHBondContact O-N 2.9Å; S54-Y57 CarbonylContact O-C 3.54Å; E55-Y57 PolarHBondContact O-N 3.35Å; Y57-E59 PolarHBondContact O-N 3.37Å; Y57-H60 AromaticContact CD1-CD2 3.75Å; Y57-H60 WeakPolarHBondContact O-CB 3.39Å; Y57-H60 PolarHBondContact O-N 3.05Å; Y57-Y66 VanDerWaalsContact O-CE2 3.27Å; Y57-Y66 WeakPolarHBondContact O-CE2 3.48Å; Y57-L69 HydrophobicContact CD1-CD2 3.87Å; Y57-L69 HydrophobicContact CD2-CD2 4.17Å; Y57-L69 HydrophobicContact CD2-CG 4.28Å; Y57-L69 HydrophobicContact CE1-CD2 4.33Å; Y57-L69 HydrophobicContact CE2-CD1 4.47Å; Y57-L69 HydrophobicContact CG-CD2 3.78Å; Y57-L69 HydrophobicContact CG-CG 4.39Å; Y57-I70 HydrophobicContact CD2-CD1 4.28Å; Y57-I73 HydrophobicContact CD2-CG1 4.49Å; Y57-I73 HydrophobicContact CE2-CB 4.29Å; Y57-I73 HydrophobicContact CE2-CD1 4.17Å; Y57-I73 HydrophobicContact CE2-CG1 3.7Å; Y57-I73 HydrophobicContact CE2-CG2 4.11Å; Y57-H126 AromaticContact CE1-CE1 4Å; Y57-H126 AromaticContact CE1-ND1 3.7Å; Y57-H126 PolarHBondContact OH-ND1 3.33Å
58	A	95.9	Very high	96.1	Very high	55 Å²	55	75.4 Å²	75.4	46%	0.455	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-55.2	-28.5	-173.7	0	0	0	0	0	114.1	S54 E55 F56 H60 Y61	S54-A58 WeakPolarHBondContact O-CA 3.17Å; S54-A58 PolarHBondContact O-N 2.83Å; S54-A58 VanDerWaalsContact O-N 3.1Å; E55-A58 VanDerWaalsContact O-CB 3.31Å; E55-A58 WeakPolarHBondContact O-CB 3.5Å; E55-A58 PolarHBondContact O-N 3.05Å; F56-A58 VanDerWaalsContact C-N 3.35Å; F56-A58 PolarHBondContact O-N 2.92Å; A58-H60 PolarHBondContact O-N 3.25Å; A58-Y61 WeakPolarHBondContact O-CB 3.19Å; A58-Y61 PolarHBondContact O-N 3.17Å
59	E	93.2	Very high	95.9	Very high	130 Å²	130	75.5 Å²	75.5	61%	0.607	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-63.6	-17.7	175.2	61.1	172.9	-161	0	0	114.5	Y57	Y57-E59 PolarHBondContact O-N 3.37Å
60	H	93.1	Very high	95.9	Very high	46 Å²	46	73.2 Å²	73.2	21%	0.213	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-96.2	4.5	175.5	-60.4	-25.6	0	0	0	112.8	Y57 A58 G62 K63 F65 Y66	Y57-H60 AromaticContact CD1-CD2 3.75Å; Y57-H60 WeakPolarHBondContact O-CB 3.39Å; Y57-H60 PolarHBondContact O-N 3.05Å; A58-H60 PolarHBondContact O-N 3.25Å; H60-G62 PolarHBondContact O-N 3.38Å; H60-K63 HydrophobicContact CB-CG 4.4Å; H60-K63 VanDerWaalsContact O-CB 3.26Å; H60-K63 WeakPolarHBondContact O-CB 3.4Å; H60-K63 VanDerWaalsContact O-CG 3.23Å; H60-K63 WeakPolarHBondContact O-CG 3.44Å; H60-K63 PolarHBondContact O-N 2.97Å; H60-F65 HydrophobicContact CB-CE2 4.31Å; H60-Y66 HydrophobicContact CB-CD2 3.81Å; H60-Y66 HydrophobicContact CB-CE2 4.37Å; H60-Y66 WeakPolarHBondContact O-CD2 3.25Å
61	Y	93.7	Very high	95.9	Very high	185 Å²	185	73.1 Å²	73.1	73%	0.725	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	135	177.8	-174.4	-99	0	0	0	111.3	A58 K63 Y66	A58-Y61 WeakPolarHBondContact O-CB 3.19Å; A58-Y61 PolarHBondContact O-N 3.17Å; Y61-K63 VanDerWaalsContact C-N 3.3Å; Y61-K63 PolarHBondContact O-N 2.68Å; Y61-Y66 HydrophobicContact CD2-CD1 4.26Å; Y61-Y66 AromaticContact CD2-CE1 3.75Å; Y61-Y66 HydrophobicContact CD2-CE1 3.75Å; Y61-Y66 HydrophobicContact CE2-CE1 4.45Å
62	G	94.9	Very high	95.8	Very high	69 Å²	69	67.9 Å²	67.9	71%	0.711	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	-5	-176.4	0	0	0	0	0	115.5	H60	H60-G62 PolarHBondContact O-N 3.38Å
63	K	95.1	Very high	95.8	Very high	123 Å²	123	64 Å²	64	54%	0.535	35%	0.351	S	S	.	.			trans	-74.5	145	170	-59.1	-65.2	-179.1	-178	0	110.3	H60 Y61 F65 Y66	H60-K63 HydrophobicContact CB-CG 4.4Å; H60-K63 VanDerWaalsContact O-CB 3.26Å; H60-K63 WeakPolarHBondContact O-CB 3.4Å; H60-K63 VanDerWaalsContact O-CG 3.23Å; H60-K63 WeakPolarHBondContact O-CG 3.44Å; H60-K63 PolarHBondContact O-N 2.97Å; Y61-K63 VanDerWaalsContact C-N 3.3Å; Y61-K63 PolarHBondContact O-N 2.68Å; K63-F65 HydrophobicContact CB-CD1 4.14Å; K63-F65 HydrophobicContact CB-CD2 4.49Å; K63-F65 HydrophobicContact CB-CE1 3.76Å; K63-F65 HydrophobicContact CB-CE2 4.12Å; K63-F65 HydrophobicContact CB-CG 4.5Å; K63-F65 HydrophobicContact CB-CZ 3.74Å; K63-F65 HydrophobicContact CG-CE1 4.23Å; K63-F65 HydrophobicContact CG-CZ 3.97Å; K63-F65 PolarHBondContact O-N 2.91Å; K63-F65 VanDerWaalsContact O-N 3.12Å; K63-Y66 WeakPolarHBondContact O-CB 3.42Å; K63-Y66 PolarHBondContact O-N 3.12Å
64	I	95.2	Very high	95.8	Very high	174 Å²	174	64.9 Å²	64.9	89%	0.892	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.8	-176.2	-163.4	165.4	0	0	0	113.6
65	F	93	Very high	95.7	Very high	77 Å²	77	66.9 Å²	66.9	34%	0.338	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	0.9	179.4	59.3	-100.7	0	0	0	113.7	H60 K63 T68 L69	H60-F65 HydrophobicContact CB-CE2 4.31Å; K63-F65 HydrophobicContact CB-CD1 4.14Å; K63-F65 HydrophobicContact CB-CD2 4.49Å; K63-F65 HydrophobicContact CB-CE1 3.76Å; K63-F65 HydrophobicContact CB-CE2 4.12Å; K63-F65 HydrophobicContact CB-CG 4.5Å; K63-F65 HydrophobicContact CB-CZ 3.74Å; K63-F65 HydrophobicContact CG-CE1 4.23Å; K63-F65 HydrophobicContact CG-CZ 3.97Å; K63-F65 PolarHBondContact O-N 2.91Å; K63-F65 VanDerWaalsContact O-N 3.12Å; F65-T68 PolarHBondContact O-N 3.26Å; F65-T68 PolarHBondContact O-OG1 3.48Å; F65-L69 WeakPolarHBondContact O-CB 3.37Å; F65-L69 PolarHBondContact O-N 3.21Å
66	Y	95.1	Very high	95.8	Very high	29 Å²	29	61 Å²	61	11%	0.114	35%	0.346	C	S	.	.	H	α-helix	trans	-62.2	-50.3	-172.6	-179.3	-110.4	0	0	0	111.8	S54 Y57 H60 Y61 K63 T68 L69 I70	S54-Y66 WeakPolarHBondContact CA-OH 3.45Å; S54-Y66 WeakPolarHBondContact CB-OH 3.46Å; S54-Y66 PolarHBondContact O-OH 3.31Å; S54-Y66 PolarHBondContact OG-OH 3.23Å; Y57-Y66 VanDerWaalsContact O-CE2 3.27Å; Y57-Y66 WeakPolarHBondContact O-CE2 3.48Å; H60-Y66 HydrophobicContact CB-CD2 3.81Å; H60-Y66 HydrophobicContact CB-CE2 4.37Å; H60-Y66 WeakPolarHBondContact O-CD2 3.25Å; Y61-Y66 HydrophobicContact CD2-CD1 4.26Å; Y61-Y66 AromaticContact CD2-CE1 3.75Å; Y61-Y66 HydrophobicContact CD2-CE1 3.75Å; Y61-Y66 HydrophobicContact CE2-CE1 4.45Å; K63-Y66 WeakPolarHBondContact O-CB 3.42Å; K63-Y66 PolarHBondContact O-N 3.12Å; Y66-T68 VanDerWaalsContact C-N 3.33Å; Y66-T68 PolarHBondContact O-N 3Å; Y66-L69 WeakPolarHBondContact O-CB 3.29Å; Y66-L69 PolarHBondContact O-N 2.9Å; Y66-L69 VanDerWaalsContact O-N 3.15Å; Y66-I70 HydrophobicContact CD1-CG1 4.4Å; Y66-I70 HydrophobicContact CD2-CD1 4.33Å; Y66-I70 HydrophobicContact CD2-CG1 4.35Å; Y66-I70 HydrophobicContact CE1-CG1 4.07Å; Y66-I70 HydrophobicContact CE2-CD1 3.77Å; Y66-I70 HydrophobicContact CE2-CG1 4.01Å; Y66-I70 WeakPolarHBondContact O-CG1 3.32Å; Y66-I70 PolarHBondContact O-N 3.45Å
67	A	96.3	Very high	95.8	Very high	74 Å²	74	62.3 Å²	62.3	61%	0.612	36%	0.357	S	S	*	.	H	α-helix	trans	-60.3	-41.6	-179	0	0	0	0	0	112.6	I70 A71	A67-I70 PolarHBondContact O-N 2.8Å; A67-A71 WeakPolarHBondContact O-CB 3.18Å; A67-A71 PolarHBondContact O-N 3.37Å
68	T	95.9	Very high	95.9	Very high	69 Å²	69	62.1 Å²	62.1	42%	0.423	36%	0.356	S	S	.	.	H	α-helix	trans	-69.4	-35.8	177.7	55.3	0	0	0	0	111.8	F65 Y66 Y72 Q121	F65-T68 PolarHBondContact O-N 3.26Å; F65-T68 PolarHBondContact O-OG1 3.48Å; Y66-T68 VanDerWaalsContact C-N 3.33Å; Y66-T68 PolarHBondContact O-N 3Å; T68-Y72 WeakPolarHBondContact O-CB 3.5Å; T68-Y72 PolarHBondContact O-N 2.87Å; T68-Q121 VanDerWaalsContact CB-OE1 3.25Å; T68-Q121 PolarHBondContact OG1-NE2 3.41Å; T68-Q121 PolarHBondContact OG1-OE1 2.99Å
69	L	95.3	Very high	96.1	Very high	12 Å²	12	59.7 Å²	59.7	6%	0.063	34%	0.336	C	S	.	.	H	α-helix	trans	-61.3	-45.6	173.1	173.7	64.7	0	0	0	111.7	Y57 F65 Y66 Y72 I73	Y57-L69 HydrophobicContact CD1-CD2 3.87Å; Y57-L69 HydrophobicContact CD2-CD2 4.17Å; Y57-L69 HydrophobicContact CD2-CG 4.28Å; Y57-L69 HydrophobicContact CE1-CD2 4.33Å; Y57-L69 HydrophobicContact CE2-CD1 4.47Å; Y57-L69 HydrophobicContact CG-CD2 3.78Å; Y57-L69 HydrophobicContact CG-CG 4.39Å; F65-L69 WeakPolarHBondContact O-CB 3.37Å; F65-L69 PolarHBondContact O-N 3.21Å; Y66-L69 WeakPolarHBondContact O-CB 3.29Å; Y66-L69 PolarHBondContact O-N 2.9Å; Y66-L69 VanDerWaalsContact O-N 3.15Å; L69-Y72 PolarHBondContact O-N 2.87Å; L69-I73 HydrophobicContact CD1-CG1 3.85Å; L69-I73 WeakPolarHBondContact O-CB 3.32Å; L69-I73 WeakPolarHBondContact O-CG1 3.38Å; L69-I73 PolarHBondContact O-N 3.3Å
70	I	97.4	Very high	96.3	Very high	12 Å²	12	53.5 Å²	53.5	6%	0.062	31%	0.307	C	S	.	.	H	α-helix	trans	-64.1	-48.2	179	-60.8	-40.5	0	0	0	110.8	P50 A53 Y57 Y66 A67 Y72 I73 S74	P50-I70 HydrophobicContact CB-CG2 4.13Å; P50-I70 WeakPolarHBondContact O-CG2 3.1Å; A53-I70 HydrophobicContact CB-CD1 4.28Å; A53-I70 HydrophobicContact CB-CG2 4.06Å; A53-I70 WeakPolarHBondContact O-CD1 3.21Å; Y57-I70 HydrophobicContact CD2-CD1 4.28Å; Y66-I70 HydrophobicContact CD1-CG1 4.4Å; Y66-I70 HydrophobicContact CD2-CD1 4.33Å; Y66-I70 HydrophobicContact CD2-CG1 4.35Å; Y66-I70 HydrophobicContact CE1-CG1 4.07Å; Y66-I70 HydrophobicContact CE2-CD1 3.77Å; Y66-I70 HydrophobicContact CE2-CG1 4.01Å; Y66-I70 WeakPolarHBondContact O-CG1 3.32Å; Y66-I70 PolarHBondContact O-N 3.45Å; A67-I70 PolarHBondContact O-N 2.8Å; I70-Y72 VanDerWaalsContact C-N 3.26Å; I70-Y72 PolarHBondContact O-N 3.28Å; I70-I73 PolarHBondContact O-N 3.26Å; I70-S74 WeakPolarHBondContact O-CB 3.3Å; I70-S74 PolarHBondContact O-N 3.38Å; I70-S74 PolarHBondContact O-OG 2.85Å
71	A	97.1	Very high	96.6	Very high	62 Å²	62	51.3 Å²	51.3	51%	0.512	30%	0.297	S	S	.	.	H	α-helix	trans	-59	-40.2	176.8	0	0	0	0	0	111.9	A67 S74 S75	A67-A71 WeakPolarHBondContact O-CB 3.18Å; A67-A71 PolarHBondContact O-N 3.37Å; A71-S74 PolarHBondContact O-OG 3.22Å; A71-S75 WeakPolarHBondContact O-CB 3.31Å; A71-S75 PolarHBondContact O-N 3.41Å; A71-S75 VanDerWaalsContact O-N 3.14Å
72	Y	96.7	Very high	96.8	Very high	26 Å²	26	42.5 Å²	42.5	10%	0.102	26%	0.262	C	S	.	.	H	α-helix	trans	-67.1	-50.6	178.5	167.7	-125	0	0	0	112.6	K19 D21 T68 L69 I70 S74 S75 Q121 Q122	K19-Y72 HydrophobicContact CB-CE1 4.48Å; K19-Y72 WeakPolarHBondContact CB-OH 3.33Å; K19-Y72 HydrophobicContact CD-CE1 3.92Å; D21-Y72 HydrophobicContact CB-CE2 4.42Å; D21-Y72 WeakPolarHBondContact CB-OH 3.22Å; D21-Y72 PolarHBondContact OD1-OH 2.89Å; D21-Y72 PolarHBondContact OD2-OH 3.3Å; T68-Y72 WeakPolarHBondContact O-CB 3.5Å; T68-Y72 PolarHBondContact O-N 2.87Å; L69-Y72 PolarHBondContact O-N 2.87Å; I70-Y72 VanDerWaalsContact C-N 3.26Å; I70-Y72 PolarHBondContact O-N 3.28Å; Y72-S74 VanDerWaalsContact C-N 3.26Å; Y72-S74 PolarHBondContact O-N 2.99Å; Y72-S75 VanDerWaalsContact O-CB 3.26Å; Y72-S75 WeakPolarHBondContact O-CB 3.5Å; Y72-S75 PolarHBondContact O-N 3Å; Y72-S75 PolarHBondContact O-OG 3.41Å; Y72-Q121 HydrophobicContact CD1-CB 4.43Å; Y72-Q121 WeakPolarHBondContact CE1-O 3.35Å; Y72-Q122 HydrophobicContact CD2-CG 4.2Å; Y72-Q122 HydrophobicContact CE1-CG 4.29Å; Y72-Q122 HydrophobicContact CE2-CG 3.74Å
73	I	97.4	Very high	96.9	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-66.5	-31.4	-178	-69.1	-72.6	0	0	0	111.7	K19 L48 A53 Y57 L69 I70 S75	K19-I73 HydrophobicContact CD-CD1 4.1Å; K19-I73 HydrophobicContact CG-CD1 3.94Å; L48-I73 HydrophobicContact CD1-CG2 3.97Å; A53-I73 HydrophobicContact CB-CG2 4.11Å; Y57-I73 HydrophobicContact CD2-CG1 4.49Å; Y57-I73 HydrophobicContact CE2-CB 4.29Å; Y57-I73 HydrophobicContact CE2-CD1 4.17Å; Y57-I73 HydrophobicContact CE2-CG1 3.7Å; Y57-I73 HydrophobicContact CE2-CG2 4.11Å; L69-I73 HydrophobicContact CD1-CG1 3.85Å; L69-I73 WeakPolarHBondContact O-CB 3.32Å; L69-I73 WeakPolarHBondContact O-CG1 3.38Å; L69-I73 PolarHBondContact O-N 3.3Å; I70-I73 PolarHBondContact O-N 3.26Å; I73-S75 VanDerWaalsContact C-N 3.32Å
74	S	97.6	Very high	96.8	Very high	19 Å²	19	33.5 Å²	33.5	13%	0.133	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	0.9	174.9	59.9	0	0	0	0	114.1	H47 L48 I70 A71 Y72 G76	H47-S74 PolarHBondContact NE2-O 3.29Å; L48-S74 WeakPolarHBondContact O-CA 3.4Å; L48-S74 WeakPolarHBondContact O-CB 3.41Å; I70-S74 WeakPolarHBondContact O-CB 3.3Å; I70-S74 PolarHBondContact O-N 3.38Å; I70-S74 PolarHBondContact O-OG 2.85Å; A71-S74 PolarHBondContact O-OG 3.22Å; Y72-S74 VanDerWaalsContact C-N 3.26Å; Y72-S74 PolarHBondContact O-N 2.99Å; S74-G76 VanDerWaalsContact C-N 3.27Å; S74-G76 PolarHBondContact O-N 3.23Å
75	S	97.6	Very high	96.6	Very high	79 Å²	79	29.2 Å²	29.2	55%	0.552	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-17.3	-178.1	68.9	0	0	0	0	114.1	A71 Y72 I73	A71-S75 WeakPolarHBondContact O-CB 3.31Å; A71-S75 PolarHBondContact O-N 3.41Å; A71-S75 VanDerWaalsContact O-N 3.14Å; Y72-S75 VanDerWaalsContact O-CB 3.26Å; Y72-S75 WeakPolarHBondContact O-CB 3.5Å; Y72-S75 PolarHBondContact O-N 3Å; Y72-S75 PolarHBondContact O-OG 3.41Å; I73-S75 VanDerWaalsContact C-N 3.32Å
76	G	97.6	Very high	96.4	Very high	8 Å²	8	30.3 Å²	30.3	8%	0.082	18%	0.183	C	C	.	.	S	Bend	trans	-171	-175.8	-177.6	0	0	0	0	0	113.2	H47 S74	H47-G76 PolarHBondContact CD2-O 2.95Å; H47-G76 PolarHBondContact NE2-N 2.93Å; S74-G76 VanDerWaalsContact C-N 3.27Å; S74-G76 PolarHBondContact O-N 3.23Å
77	P	98.3	Very high	96.3	Very high	53 Å²	53	32.6 Å²	32.6	34%	0.344	20%	0.197	S	C	.	.			trans	-69.5	147.4	179.2	29.4	-34.6	0	0	0	111.8	P20 I23 R45 V46	P20-P77 WeakPolarHBondContact CA-O 3.2Å; I23-P77 HydrophobicContact CG1-CG 4.48Å; R45-P77 HydrophobicContact CG-CB 4.12Å; V46-P77 CarbonylContact O-C 3.55Å; V46-P77 WeakPolarHBondContact O-CA 3.38Å
78	I	98.5	Very high	96.2	Very high	1 Å²	1	29 Å²	29	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	150.5	171.2	63.2	174.2	0	0	0	109.9	I17 I18 P20 R45 V46 L48 V80 F141	I17-I78 HydrophobicContact CG2-CB 3.88Å; I17-I78 HydrophobicContact CG2-CD1 3.8Å; I17-I78 HydrophobicContact CG2-CG1 4.27Å; I17-I78 HydrophobicContact CG2-CG2 4.35Å; I18-I78 WeakPolarHBondContact O-CA 3.41Å; I18-I78 WeakPolarHBondContact O-CB 3.34Å; P20-I78 HydrophobicContact CG-CG2 3.79Å; R45-I78 VanDerWaalsContact CA-O 3.32Å; R45-I78 WeakPolarHBondContact CA-O 3.42Å; V46-I78 HydrophobicContact CG2-CD1 3.85Å; V46-I78 HydrophobicContact CG2-CG1 3.55Å; V46-I78 PolarHBondContact N-O 2.97Å; V46-I78 WeakPolarHBondContact O-CG1 3.4Å; V46-I78 PolarHBondContact O-N 3.15Å; L48-I78 HydrophobicContact CD1-CD1 3.84Å; L48-I78 HydrophobicContact CG-CD1 3.98Å; I78-V80 HydrophobicContact CD1-CG2 3.79Å; I78-V80 HydrophobicContact CG1-CG2 3.98Å; I78-F141 HydrophobicContact CD1-CE1 4.19Å; I78-F141 HydrophobicContact CD1-CZ 4.16Å
79	E	98.7	Very high	96.3	Very high	5 Å²	5	26.3 Å²	26.3	2%	0.023	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.5	168.5	-159.1	88.6	-134.1	0	0	108.2	I17 I18 I23 A26 K43 R45 L81	I17-E79 CarbonylContact C-O 3.53Å; I17-E79 WeakPolarHBondContact CA-O 3.39Å; I18-E79 HydrophobicContact CB-CB 3.9Å; I18-E79 HydrophobicContact CD1-CB 4.19Å; I18-E79 HydrophobicContact CG1-CB 4.23Å; I18-E79 PolarHBondContact N-O 3.4Å; I18-E79 PolarHBondContact O-N 3.37Å; I23-E79 HydrophobicContact CD1-CB 3.79Å; A26-E79 HydrophobicContact CB-CB 4.44Å; A26-E79 HydrophobicContact CB-CG 4.42Å; K43-E79 HydrophobicContact CD-CG 4.06Å; K43-E79 VanDerWaalsContact CD-OE1 3.25Å; K43-E79 WeakPolarHBondContact CD-OE1 3.27Å; K43-E79 WeakPolarHBondContact CE-OE1 3.49Å; K43-E79 HydrophobicContact CG-CG 4.21Å; K43-E79 WeakPolarHBondContact CG-OE1 3.48Å; K43-E79 IonicContact NZ-OE1 3.79Å; R45-E79 IonicContact CZ-OE2 2.93Å; R45-E79 VanDerWaalsContact CZ-OE2 3.24Å; R45-E79 IonicContact NE-OE2 2.95Å; R45-E79 PolarHBondContact NE-OE2 2.97Å; R45-E79 IonicContact NH2-OE2 3.39Å; R45-E79 PolarHBondContact NH2-OE2 3.33Å; E79-L81 HydrophobicContact CB-CD1 4.14Å; E79-L81 HydrophobicContact CG-CD1 3.68Å
80	V	98.6	Very high	96.3	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125	179.2	-172.7	0	0	0	0	109	L15 I17 K43 R44 V46 I78 F141 F142	L15-V80 HydrophobicContact CD1-CG1 3.61Å; L15-V80 HydrophobicContact CD2-CG1 4.12Å; L15-V80 HydrophobicContact CG-CG1 4.05Å; I17-V80 HydrophobicContact CG1-CG1 4.27Å; I17-V80 HydrophobicContact CG1-CG2 4.31Å; I17-V80 HydrophobicContact CG2-CG2 4.48Å; K43-V80 CarbonylContact C-O 3.01Å; K43-V80 VanDerWaalsContact CA-O 3.29Å; K43-V80 WeakPolarHBondContact CA-O 3.26Å; R44-V80 HydrophobicContact CG-CB 4.09Å; R44-V80 PolarHBondContact N-O 2.89Å; R44-V80 PolarHBondContact O-N 2.98Å; V46-V80 HydrophobicContact CG2-CG2 3.95Å; I78-V80 HydrophobicContact CD1-CG2 3.79Å; I78-V80 HydrophobicContact CG1-CG2 3.98Å; V80-F141 HydrophobicContact CB-CD1 4.48Å; V80-F141 HydrophobicContact CG1-CB 4.08Å; V80-F141 HydrophobicContact CG1-CD1 4.21Å; V80-F141 HydrophobicContact CG1-CD2 3.77Å; V80-F141 HydrophobicContact CG1-CE2 4.21Å; V80-F141 HydrophobicContact CG1-CG 3.77Å; V80-F141 HydrophobicContact CG2-CD1 3.91Å; V80-F141 HydrophobicContact CG2-CE1 3.76Å; V80-F141 HydrophobicContact CG2-CE2 4.42Å; V80-F141 HydrophobicContact CG2-CG 4.31Å; V80-F141 HydrophobicContact CG2-CZ 4.05Å; V80-F142 HydrophobicContact CG1-CE2 3.8Å; V80-F142 HydrophobicContact CG1-CZ 4.36Å
81	L	98.4	Very high	96.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133.9	-179.8	-61.4	88	0	0	0	110.6	L16 I18 E30 I40 Q42 K43 E79 I83	L16-L81 HydrophobicContact CB-CB 4.3Å; L16-L81 HydrophobicContact CD2-CD1 4.18Å; L16-L81 PolarHBondContact N-O 2.76Å; L16-L81 PolarHBondContact O-N 3.29Å; I18-L81 HydrophobicContact CD1-CD1 4.15Å; I18-L81 HydrophobicContact CG1-CD1 4.26Å; E30-L81 HydrophobicContact CG-CD2 3.66Å; I40-L81 HydrophobicContact CD1-CD2 3.88Å; I40-L81 HydrophobicContact CG1-CD2 4.17Å; I40-L81 HydrophobicContact CG2-CD2 4.1Å; Q42-L81 WeakPolarHBondContact O-CA 3.5Å; K43-L81 HydrophobicContact CB-CG 4.42Å; K43-L81 HydrophobicContact CD-CD2 4.33Å; K43-L81 HydrophobicContact CD-CG 4.37Å; K43-L81 HydrophobicContact CG-CG 4.23Å; E79-L81 HydrophobicContact CB-CD1 4.14Å; E79-L81 HydrophobicContact CG-CD1 3.68Å; L81-I83 HydrophobicContact CB-CG2 3.9Å
82	V	97.7	Very high	96.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	114.7	162.1	-172.5	0	0	0	0	107.2	R13 L15 I41 Q42 I138 F142 M145	R13-V82 HydrophobicContact CB-CG1 4.31Å; L15-V82 HydrophobicContact CD1-CG2 4.2Å; I41-V82 HydrophobicContact CB-CG1 4.5Å; I41-V82 PolarHBondContact N-O 3.41Å; Q42-V82 HydrophobicContact CB-CB 4.31Å; Q42-V82 HydrophobicContact CB-CG2 4.25Å; Q42-V82 PolarHBondContact N-O 2.91Å; Q42-V82 PolarHBondContact O-N 3.25Å; V82-I138 HydrophobicContact CG1-CD1 3.8Å; V82-I138 HydrophobicContact CG1-CG1 4.06Å; V82-I138 HydrophobicContact CG1-CG2 4.41Å; V82-I138 HydrophobicContact CG2-CG1 4.15Å; V82-I138 HydrophobicContact CG2-CG2 4.09Å; V82-F142 HydrophobicContact CG2-CD2 3.44Å; V82-F142 VanDerWaalsContact CG2-CD2 3.44Å; V82-F142 HydrophobicContact CG2-CE2 3.39Å; V82-F142 HydrophobicContact CG2-CG 4.12Å; V82-F142 HydrophobicContact CG2-CZ 4.02Å; V82-M145 HydrophobicContact CB-CE 4.27Å; V82-M145 HydrophobicContact CB-SD 4.18Å; V82-M145 HydrophobicContact CG1-CE 3.62Å; V82-M145 HydrophobicContact CG1-SD 3.95Å; V82-M145 HydrophobicContact CG2-SD 3.95Å
83	I	96.9	Very high	96.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	151.7	-178.3	69.8	177.1	0	0	0	110.9	R13 T14 L16 I33 F38 L39 I40 L81 L92	R13-I83 VanDerWaalsContact CA-O 3.31Å; R13-I83 WeakPolarHBondContact CA-O 3.44Å; T14-I83 HydrophobicContact CG2-CD1 4.11Å; T14-I83 HydrophobicContact CG2-CG1 3.6Å; T14-I83 PolarHBondContact N-O 2.98Å; T14-I83 PolarHBondContact O-N 3.35Å; L16-I83 HydrophobicContact CB-CD1 4.48Å; I33-I83 HydrophobicContact CD1-CD1 4.21Å; I33-I83 HydrophobicContact CG2-CD1 4.17Å; I33-I83 HydrophobicContact CG2-CG2 4.07Å; F38-I83 HydrophobicContact CB-CB 4.38Å; F38-I83 HydrophobicContact CB-CD1 4.41Å; F38-I83 HydrophobicContact CD1-CB 4.23Å; F38-I83 HydrophobicContact CD1-CD1 3.47Å; F38-I83 VanDerWaalsContact CD1-CD1 3.47Å; F38-I83 HydrophobicContact CD1-CG1 3.82Å; F38-I83 HydrophobicContact CE1-CD1 3.74Å; F38-I83 HydrophobicContact CE1-CG1 4.27Å; F38-I83 HydrophobicContact CG-CD1 3.93Å; F38-I83 HydrophobicContact CZ-CD1 4.43Å; L39-I83 CarbonylContact O-C 3.46Å; L39-I83 WeakPolarHBondContact O-CA 3.27Å; I40-I83 HydrophobicContact CG1-CG2 4.19Å; L81-I83 HydrophobicContact CB-CG2 3.9Å; I83-L92 HydrophobicContact CD1-CD1 4.1Å; I83-L92 HydrophobicContact CD1-CD2 3.89Å; I83-L92 HydrophobicContact CD1-CG 4.42Å
84	A	93.3	Very high	96.4	Very high	2 Å²	2	37.8 Å²	37.8	2%	0.017	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.4	-175.8	0	0	0	0	0	112.5	I11 E12 R13 L39 I41	I11-A84 HydrophobicContact CG2-CB 3.83Å; E12-A84 WeakPolarHBondContact O-CA 3.48Å; E12-A84 WeakPolarHBondContact O-CB 3.43Å; R13-A84 HydrophobicContact CG-CB 4.03Å; L39-A84 HydrophobicContact CB-CB 4.5Å; L39-A84 PolarHBondContact N-O 2.9Å; L39-A84 PolarHBondContact O-N 3.19Å; I41-A84 HydrophobicContact CD1-CB 3.84Å; I41-A84 HydrophobicContact CG1-CB 3.63Å
85	R	91.3	Very high	96.4	Very high	84 Å²	84	38 Å²	38	32%	0.317	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	161.6	175.8	-165.5	-177.8	162.8	178.2	-8.7	108.9	E12 K36 F38 N87 A88 I91	E12-R85 WeakPolarHBondContact CB-O 3.24Å; E12-R85 PolarHBondContact N-O 2.77Å; E12-R85 PolarHBondContact O-N 3.47Å; E12-R85 VanDerWaalsContact O-N 3.09Å; K36-R85 PolarHBondContact O-NH1 3.34Å; F38-R85 HydrophobicContact CD1-CB 3.69Å; F38-R85 HydrophobicContact CE1-CB 3.95Å; F38-R85 HydrophobicContact CG-CB 4.32Å; R85-N87 PolarHBondContact O-N 3.43Å; R85-A88 HydrophobicContact CB-CB 4Å; R85-A88 WeakPolarHBondContact O-CB 3.33Å; R85-A88 PolarHBondContact O-N 2.89Å; R85-I91 VanDerWaalsContact CZ-CD1 3.43Å
86	E	88.9	Confident	96.4	Very high	100 Å²	100	34.2 Å²	34.2	47%	0.467	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	132.4	157.4	-171.5	-178.1	-165.9	0	0	110	I9 A88 I91	I9-E86 HydrophobicContact CG2-CB 4.39Å; E86-A88 PolarHBondContact O-N 2.66Å; E86-I91 WeakPolarHBondContact O-CD1 3.37Å
87	N	92.2	Very high	96.4	Very high	77 Å²	77	34.2 Å²	34.2	41%	0.412	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	33.2	-176.1	-58.2	-56.1	0	0	0	113.6	E12 R85 I89 S90 I91	E12-N87 VanDerWaalsContact CD-CA 3.44Å; E12-N87 WeakPolarHBondContact OE1-CA 3.33Å; E12-N87 VanDerWaalsContact OE2-C 3.24Å; E12-N87 WeakPolarHBondContact OE2-CA 3.48Å; R85-N87 PolarHBondContact O-N 3.43Å; N87-I89 VanDerWaalsContact C-N 3.26Å; N87-I89 PolarHBondContact O-N 3.28Å; N87-S90 PolarHBondContact O-N 2.79Å; N87-S90 PolarHBondContact O-OG 3.03Å; N87-I91 HydrophobicContact CB-CD1 3.96Å; N87-I91 HydrophobicContact CB-CG1 4.17Å; N87-I91 WeakPolarHBondContact O-CB 3.48Å; N87-I91 VanDerWaalsContact O-CG1 3.28Å; N87-I91 WeakPolarHBondContact O-CG1 3.46Å; N87-I91 PolarHBondContact O-N 2.86Å
88	A	95.8	Very high	96.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-54.2	-40.5	-173.5	0	0	0	0	0	113.1	E12 T14 F38 R85 E86 L92	E12-A88 HydrophobicContact CB-CB 3.8Å; E12-A88 PolarHBondContact OE2-N 3.36Å; T14-A88 HydrophobicContact CG2-CB 4.07Å; F38-A88 HydrophobicContact CD1-CB 4.39Å; F38-A88 HydrophobicContact CE1-CB 3.88Å; R85-A88 HydrophobicContact CB-CB 4Å; R85-A88 WeakPolarHBondContact O-CB 3.33Å; R85-A88 PolarHBondContact O-N 2.89Å; E86-A88 PolarHBondContact O-N 2.66Å; A88-L92 WeakPolarHBondContact O-CB 3.4Å; A88-L92 PolarHBondContact O-N 2.9Å
89	I	96.3	Very high	96.1	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.062	19%	0.189	C	C	.	.	H	α-helix	trans	-66.9	-52.9	-175.8	-63.3	172.2	0	0	0	110.3	E12 N87 L92 R93 F131 A134	E12-I89 PolarHBondContact OE2-N 3.49Å; E12-I89 VanDerWaalsContact OE2-N 3.14Å; N87-I89 VanDerWaalsContact C-N 3.26Å; N87-I89 PolarHBondContact O-N 3.28Å; I89-L92 PolarHBondContact O-N 2.84Å; I89-R93 HydrophobicContact CG2-CG 4.46Å; I89-R93 WeakPolarHBondContact O-CB 3.18Å; I89-R93 WeakPolarHBondContact O-CG 3.36Å; I89-R93 PolarHBondContact O-N 2.87Å; I89-F131 HydrophobicContact CD1-CB 4.44Å; I89-F131 HydrophobicContact CD1-CD1 3.73Å; I89-F131 HydrophobicContact CD1-CD2 4.33Å; I89-F131 HydrophobicContact CD1-CE1 4.02Å; I89-F131 HydrophobicContact CD1-CG 3.92Å; I89-F131 HydrophobicContact CD1-CZ 4.45Å; I89-A134 HydrophobicContact CD1-CB 4.31Å
90	S	96.5	Very high	95.9	Very high	68 Å²	68	40.7 Å²	40.7	48%	0.476	20%	0.201	S	C	.	.	H	α-helix	trans	-65.3	-43.2	-177	58.1	0	0	0	0	111.7	N87 L92 R93 E94	N87-S90 PolarHBondContact O-N 2.79Å; N87-S90 PolarHBondContact O-OG 3.03Å; S90-L92 PolarHBondContact O-N 2.92Å; S90-R93 PolarHBondContact O-N 2.99Å; S90-E94 PolarHBondContact O-N 2.88Å
91	I	97.4	Very high	95.7	Very high	36 Å²	36	40.7 Å²	40.7	19%	0.185	20%	0.201	C	C	.	.	H	α-helix	trans	-65.2	-40.8	178.7	-64.5	176.5	0	0	0	110.9	F38 R85 E86 N87 R93 E94 L95	F38-I91 HydrophobicContact CE2-CG2 3.79Å; F38-I91 HydrophobicContact CZ-CB 3.98Å; F38-I91 HydrophobicContact CZ-CG2 3.61Å; R85-I91 VanDerWaalsContact CZ-CD1 3.43Å; E86-I91 WeakPolarHBondContact O-CD1 3.37Å; N87-I91 HydrophobicContact CB-CD1 3.96Å; N87-I91 HydrophobicContact CB-CG1 4.17Å; N87-I91 WeakPolarHBondContact O-CB 3.48Å; N87-I91 VanDerWaalsContact O-CG1 3.28Å; N87-I91 WeakPolarHBondContact O-CG1 3.46Å; N87-I91 PolarHBondContact O-N 2.86Å; I91-R93 VanDerWaalsContact C-N 3.34Å; I91-E94 PolarHBondContact O-N 3.18Å; I91-L95 WeakPolarHBondContact O-CB 3.35Å; I91-L95 PolarHBondContact O-N 3.48Å
92	L	98.2	Very high	95.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.5	-42.3	177.3	177.6	61.5	0	0	0	110.7	T14 L16 I33 F38 I83 A88 I89 S90 E94 L95 I96 A127	T14-L92 HydrophobicContact CG2-CB 4.39Å; T14-L92 HydrophobicContact CG2-CD2 3.62Å; L16-L92 HydrophobicContact CB-CD2 4.24Å; L16-L92 HydrophobicContact CD1-CD1 3.83Å; L16-L92 HydrophobicContact CD1-CD2 4.11Å; L16-L92 HydrophobicContact CD1-CG 4.48Å; I33-L92 HydrophobicContact CD1-CD1 3.94Å; F38-L92 HydrophobicContact CE1-CB 4.27Å; F38-L92 HydrophobicContact CZ-CB 3.99Å; I83-L92 HydrophobicContact CD1-CD1 4.1Å; I83-L92 HydrophobicContact CD1-CD2 3.89Å; I83-L92 HydrophobicContact CD1-CG 4.42Å; A88-L92 WeakPolarHBondContact O-CB 3.4Å; A88-L92 PolarHBondContact O-N 2.9Å; I89-L92 PolarHBondContact O-N 2.84Å; S90-L92 PolarHBondContact O-N 2.92Å; L92-E94 VanDerWaalsContact C-N 3.28Å; L92-E94 PolarHBondContact O-N 2.89Å; L92-L95 HydrophobicContact CD1-CD2 4.46Å; L92-L95 PolarHBondContact O-N 3.33Å; L92-I96 HydrophobicContact CD1-CG2 3.82Å; L92-I96 HydrophobicContact CG-CG2 4.31Å; L92-I96 WeakPolarHBondContact O-CG1 3.4Å; L92-I96 WeakPolarHBondContact O-CG2 3.1Å; L92-I96 PolarHBondContact O-N 2.81Å; L92-A127 HydrophobicContact CD2-CB 3.53Å; L92-A127 HydrophobicContact CG-CB 3.92Å
93	R	97.8	Very high	95.5	Very high	94 Å²	94	52.9 Å²	52.9	36%	0.355	25%	0.254	S	S	.	.	H	α-helix	trans	-60.4	-38.2	177.1	-72.7	-70.4	-57.9	-166	-3.7	112.2	I89 S90 I91 I96 G97	I89-R93 HydrophobicContact CG2-CG 4.46Å; I89-R93 WeakPolarHBondContact O-CB 3.18Å; I89-R93 WeakPolarHBondContact O-CG 3.36Å; I89-R93 PolarHBondContact O-N 2.87Å; S90-R93 PolarHBondContact O-N 2.99Å; I91-R93 VanDerWaalsContact C-N 3.34Å; R93-I96 WeakPolarHBondContact O-CG1 3.11Å; R93-G97 PolarHBondContact O-N 2.81Å
94	E	97.5	Very high	95.6	Very high	155 Å²	155	52.9 Å²	52.9	72%	0.724	25%	0.254	S	S	*	.	H	α-helix	trans	-65.7	-48.4	172.8	-173.4	-178.4	171.9	0	0	111.4	S90 I91 L92 I96 G97	S90-E94 PolarHBondContact O-N 2.88Å; I91-E94 PolarHBondContact O-N 3.18Å; L92-E94 VanDerWaalsContact C-N 3.28Å; L92-E94 PolarHBondContact O-N 2.89Å; E94-I96 VanDerWaalsContact C-N 3.33Å; E94-I96 PolarHBondContact O-N 3.35Å; E94-G97 PolarHBondContact O-N 3.39Å
95	L	97.9	Very high	95.7	Very high	24 Å²	24	57.1 Å²	57.1	13%	0.126	27%	0.273	C	S	.	.	H	α-helix	trans	-59.1	-40.6	-179.5	-179	64	0	0	0	112.8	L32 I33 K36 I91 L92 S111 L112	L32-L95 HydrophobicContact CD2-CD1 4.27Å; I33-L95 HydrophobicContact CD1-CD2 3.7Å; K36-L95 HydrophobicContact CB-CD2 4.44Å; K36-L95 HydrophobicContact CD-CD1 4.25Å; K36-L95 HydrophobicContact CG-CD1 4.03Å; K36-L95 HydrophobicContact CG-CD2 4.07Å; I91-L95 WeakPolarHBondContact O-CB 3.35Å; I91-L95 PolarHBondContact O-N 3.48Å; L92-L95 HydrophobicContact CD1-CD2 4.46Å; L92-L95 PolarHBondContact O-N 3.33Å; L95-S111 WeakPolarHBondContact O-CA 3.16Å; L95-L112 HydrophobicContact CD2-CD1 4.35Å; L95-L112 HydrophobicContact CG-CD1 4.13Å; L95-L112 PolarHBondContact O-N 3.32Å; L95-L112 VanDerWaalsContact O-N 3.17Å
96	I	97.8	Very high	96	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-80.7	-24.3	-179.1	71.1	176	0	0	0	112.8	L16 L92 R93 E94 L112 R113 I125 A127	L16-I96 HydrophobicContact CD1-CG2 4.48Å; L92-I96 HydrophobicContact CD1-CG2 3.82Å; L92-I96 HydrophobicContact CG-CG2 4.31Å; L92-I96 WeakPolarHBondContact O-CG1 3.4Å; L92-I96 WeakPolarHBondContact O-CG2 3.1Å; L92-I96 PolarHBondContact O-N 2.81Å; R93-I96 WeakPolarHBondContact O-CG1 3.11Å; E94-I96 VanDerWaalsContact C-N 3.33Å; E94-I96 PolarHBondContact O-N 3.35Å; I96-L112 HydrophobicContact CG2-CD1 4.16Å; I96-R113 WeakPolarHBondContact O-CB 3.45Å; I96-R113 WeakPolarHBondContact O-CD 3.2Å; I96-R113 WeakPolarHBondContact O-CG 3.42Å; I96-R113 PolarHBondContact O-N 3.1Å; I96-I125 HydrophobicContact CB-CG2 4.41Å; I96-I125 HydrophobicContact CG2-CB 4.44Å; I96-I125 HydrophobicContact CG2-CG2 3.71Å; I96-A127 HydrophobicContact CD1-CB 3.51Å
97	G	97.4	Very high	96.5	Very high	8 Å²	8	56.6 Å²	56.6	8%	0.082	29%	0.294	C	S	.	.			trans	76.8	-177.2	-179.4	0	0	0	0	0	115.5	R93 E94 R113	R93-G97 PolarHBondContact O-N 2.81Å; E94-G97 PolarHBondContact O-N 3.39Å; G97-R113 PolarHBondContact O-NH1 2.88Å
98	P	95.9	Very high	96.7	Very high	33 Å²	33	54.4 Å²	54.4	21%	0.214	29%	0.287	C	S	.	.			trans	-57.2	147.6	-178.8	-22	30.8	0	0	0	113.4	N100 K103 A104 R113	P98-N100 VanDerWaalsContact C-N 3.3Å; P98-N100 PolarHBondContact O-N 3.19Å; P98-K103 HydrophobicContact CB-CB 4.38Å; P98-K103 HydrophobicContact CB-CD 4.16Å; P98-K103 HydrophobicContact CB-CG 4.16Å; P98-K103 HydrophobicContact CG-CG 4.31Å; P98-A104 HydrophobicContact CG-CB 4.46Å; P98-R113 WeakPolarHBondContact O-CD 3.17Å
99	Q	94	Very high	96.8	Very high	110 Å²	110	58 Å²	58	51%	0.514	31%	0.31	S	S	.	.	S	Bend	trans	-58.3	-38.4	-177.6	-177.7	173.3	-12.8	0	0	113.9	N123	Q99-N123 WeakPolarHBondContact O-CB 3.33Å; Q99-N123 PolarHBondContact O-ND2 3.01Å
100	N	94.7	Very high	96.8	Very high	52 Å²	52	65.1 Å²	65.1	28%	0.278	34%	0.343	S	S	.	.	S	Bend	trans	-79.6	121.7	177.2	173.9	-68.9	0	0	0	110.2	P98 F102 K103 A104 D120	P98-N100 VanDerWaalsContact C-N 3.3Å; P98-N100 PolarHBondContact O-N 3.19Å; N100-F102 VanDerWaalsContact C-N 3.33Å; N100-F102 PolarHBondContact O-N 2.86Å; N100-F102 WeakPolarHBondContact OD1-CA 3.45Å; N100-F102 WeakPolarHBondContact OD1-CB 3.41Å; N100-F102 PolarHBondContact OD1-N 3.22Å; N100-K103 HydrophobicContact CB-CB 4.06Å; N100-K103 PolarHBondContact O-N 3.26Å; N100-K103 PolarHBondContact OD1-N 3.18Å; N100-A104 PolarHBondContact O-N 2.94Å; N100-D120 WeakPolarHBondContact CA-OD1 3.45Å; N100-D120 WeakPolarHBondContact CB-OD1 3.17Å; N100-D120 PolarHBondContact ND2-OD1 3.43Å; N100-D120 PolarHBondContact ND2-OD2 3.26Å
101	A	94.1	Very high	96.9	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.8	-36.3	-175.1	0	0	0	0	0	113	A104 K105 D119	A101-A104 WeakPolarHBondContact O-CB 3.48Å; A101-A104 PolarHBondContact O-N 3.35Å; A101-K105 WeakPolarHBondContact O-CG 3.48Å; A101-K105 PolarHBondContact O-N 2.82Å; A101-D119 WeakPolarHBondContact CB-O 3.38Å
102	F	95.7	Very high	96.9	Very high	129 Å²	129	60.5 Å²	60.5	57%	0.566	31%	0.314	S	S	*	.	H	α-helix	trans	-67	-41.7	176.9	-60	-78.3	0	0	0	111.8	N100 A104 K105 A106	N100-F102 VanDerWaalsContact C-N 3.33Å; N100-F102 PolarHBondContact O-N 2.86Å; N100-F102 WeakPolarHBondContact OD1-CA 3.45Å; N100-F102 WeakPolarHBondContact OD1-CB 3.41Å; N100-F102 PolarHBondContact OD1-N 3.22Å; F102-A104 VanDerWaalsContact C-N 3.35Å; F102-K105 PolarHBondContact O-N 3.21Å; F102-A106 PolarHBondContact O-N 3.49Å
103	K	97	Very high	96.9	Very high	126 Å²	126	60.9 Å²	60.9	55%	0.548	32%	0.315	S	S	.	.	H	α-helix	trans	-63.8	-42.4	173.4	-172.4	176.3	-178.4	177.3	0	110.8	P98 N100 K105 A106 T107	P98-K103 HydrophobicContact CB-CB 4.38Å; P98-K103 HydrophobicContact CB-CD 4.16Å; P98-K103 HydrophobicContact CB-CG 4.16Å; P98-K103 HydrophobicContact CG-CG 4.31Å; N100-K103 HydrophobicContact CB-CB 4.06Å; N100-K103 PolarHBondContact O-N 3.26Å; N100-K103 PolarHBondContact OD1-N 3.18Å; K103-K105 PolarHBondContact O-N 2.95Å; K103-A106 PolarHBondContact O-N 3.47Å; K103-T107 HydrophobicContact CG-CG2 4.27Å; K103-T107 PolarHBondContact O-N 2.67Å; K103-T107 PolarHBondContact O-OG1 2.87Å
104	A	97.6	Very high	96.9	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.1	-47.5	175	0	0	0	0	0	111.4	P98 N100 A101 F102 A106 T107 A108 R113 A114	P98-A104 HydrophobicContact CG-CB 4.46Å; N100-A104 PolarHBondContact O-N 2.94Å; A101-A104 WeakPolarHBondContact O-CB 3.48Å; A101-A104 PolarHBondContact O-N 3.35Å; F102-A104 VanDerWaalsContact C-N 3.35Å; A104-A106 VanDerWaalsContact C-N 3.27Å; A104-A106 PolarHBondContact O-N 3.42Å; A104-T107 PolarHBondContact O-N 2.95Å; A104-A108 CarbonylContact O-C 3.59Å; A104-A108 WeakPolarHBondContact O-CA 2.93Å; A104-A108 PolarHBondContact O-N 3.12Å; A104-A108 VanDerWaalsContact O-O 3.06Å; A104-R113 HydrophobicContact CB-CB 3.92Å; A104-A114 HydrophobicContact CB-CB 4.06Å
105	K	96.9	Very high	96.9	Very high	92 Å²	92	53.8 Å²	53.8	40%	0.4	29%	0.289	S	S	.	.	H	α-helix	trans	-57.8	-38.4	175.3	-71.6	169.2	-172.4	168.3	0	112.8	A101 F102 K103 A114 G117	A101-K105 WeakPolarHBondContact O-CG 3.48Å; A101-K105 PolarHBondContact O-N 2.82Å; F102-K105 PolarHBondContact O-N 3.21Å; K103-K105 PolarHBondContact O-N 2.95Å; K105-A114 WeakPolarHBondContact CE-O 3.46Å; K105-A114 HydrophobicContact CG-CB 4.03Å; K105-G117 WeakPolarHBondContact CE-O 3.44Å; K105-G117 PolarHBondContact NZ-O 3.32Å
106	A	97.6	Very high	96.8	Very high	84 Å²	84	54.2 Å²	54.2	69%	0.694	29%	0.29	S	S	*	.	H	α-helix	trans	-76.6	-38.2	-179.4	0	0	0	0	0	113.8	F102 K103 A104	F102-A106 PolarHBondContact O-N 3.49Å; K103-A106 PolarHBondContact O-N 3.47Å; A104-A106 VanDerWaalsContact C-N 3.27Å; A104-A106 PolarHBondContact O-N 3.42Å
107	T	97.8	Very high	96.7	Very high	89 Å²	89	54.3 Å²	54.3	55%	0.546	29%	0.291	S	S	.	.	H	α-helix	trans	-109.8	-20.4	-169.5	66.7	0	0	0	0	114.6	K103 A104	K103-T107 HydrophobicContact CG-CG2 4.27Å; K103-T107 PolarHBondContact O-N 2.67Å; K103-T107 PolarHBondContact O-OG1 2.87Å; A104-T107 PolarHBondContact O-N 2.95Å
108	A	97.4	Very high	96.6	Very high	30 Å²	30	57.6 Å²	57.6	25%	0.248	31%	0.309	C	S	.	.			trans	-148.5	66.5	-177.9	0	0	0	0	0	110	A104 E110 S111 A114	A104-A108 CarbonylContact O-C 3.59Å; A104-A108 WeakPolarHBondContact O-CA 2.93Å; A104-A108 PolarHBondContact O-N 3.12Å; A104-A108 VanDerWaalsContact O-O 3.06Å; A108-E110 PolarHBondContact O-N 3.03Å; A108-E110 VanDerWaalsContact O-N 3.12Å; A108-S111 WeakPolarHBondContact O-CB 3.4Å; A108-S111 PolarHBondContact O-N 3.38Å; A108-S111 PolarHBondContact O-OG 3.46Å; A108-A114 VanDerWaalsContact O-CB 3.31Å; A108-A114 WeakPolarHBondContact O-CB 3.43Å
109	P	97.5	Very high	96.4	Very high	75 Å²	75	58.5 Å²	58.5	49%	0.487	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.9	-170.1	23.2	-34.3	0	0	0	114.2	S111 A114	P109-S111 VanDerWaalsContact C-N 3.32Å; P109-A114 VanDerWaalsContact O-CB 3.3Å; P109-A114 WeakPolarHBondContact O-CB 3.27Å
110	E	97	Very high	96	Very high	162 Å²	162	57 Å²	57	76%	0.757	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-1	176.8	-56.6	-56.4	131.9	0	0	113.5	A108 I115	A108-E110 PolarHBondContact O-N 3.03Å; A108-E110 VanDerWaalsContact O-N 3.12Å; E110-I115 WeakPolarHBondContact O-CD1 3.26Å
111	S	98	Very high	95.7	Very high	5 Å²	5	57.3 Å²	57.3	4%	0.035	31%	0.307	C	S	.	.	S	Bend	trans	-75.8	154.1	-179.2	68.2	0	0	0	0	112.2	L95 A108 P109 R113 A114 I115	L95-S111 WeakPolarHBondContact O-CA 3.16Å; A108-S111 WeakPolarHBondContact O-CB 3.4Å; A108-S111 PolarHBondContact O-N 3.38Å; A108-S111 PolarHBondContact O-OG 3.46Å; P109-S111 VanDerWaalsContact C-N 3.32Å; S111-R113 VanDerWaalsContact C-N 3.27Å; S111-R113 PolarHBondContact O-N 3.03Å; S111-A114 WeakPolarHBondContact O-CA 3.31Å; S111-A114 WeakPolarHBondContact O-CB 3.43Å; S111-A114 PolarHBondContact O-N 3.18Å; S111-A114 WeakPolarHBondContact OG-CB 3.5Å; S111-A114 PolarHBondContact OG-N 3.48Å; S111-I115 WeakPolarHBondContact O-CG1 3.23Å; S111-I115 PolarHBondContact O-N 3.02Å
112	L	97.7	Very high	95.6	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-59.6	-36.9	-178.5	-67.9	170	0	0	0	112.7	I29 L32 L95 I96 A114 I115 Y116 I125	I29-L112 HydrophobicContact CG1-CD2 4.27Å; I29-L112 HydrophobicContact CG2-CD1 4.33Å; L32-L112 HydrophobicContact CD2-CD1 4.38Å; L32-L112 HydrophobicContact CD2-CD2 3.71Å; L32-L112 HydrophobicContact CD2-CG 4.26Å; L95-L112 HydrophobicContact CD2-CD1 4.35Å; L95-L112 HydrophobicContact CG-CD1 4.13Å; L95-L112 PolarHBondContact O-N 3.32Å; L95-L112 VanDerWaalsContact O-N 3.17Å; I96-L112 HydrophobicContact CG2-CD1 4.16Å; L112-A114 VanDerWaalsContact C-N 3.34Å; L112-I115 PolarHBondContact O-N 3.17Å; L112-Y116 HydrophobicContact CB-CD2 4.43Å; L112-Y116 HydrophobicContact CD2-CD2 3.92Å; L112-Y116 HydrophobicContact CD2-CE2 3.53Å; L112-Y116 WeakPolarHBondContact O-CB 3.46Å; L112-Y116 WeakPolarHBondContact O-CD2 3.29Å; L112-Y116 PolarHBondContact O-N 2.99Å; L112-I125 HydrophobicContact CB-CD1 3.74Å; L112-I125 HydrophobicContact CD1-CD1 3.49Å; L112-I125 VanDerWaalsContact CD1-CD1 3.49Å; L112-I125 HydrophobicContact CG-CD1 4.1Å
113	R	97.6	Very high	95.5	Very high	8 Å²	8	54.9 Å²	54.9	3%	0.03	30%	0.298	C	S	.	.	H	α-helix	trans	-70.1	-28.9	175	-69.2	178.9	172.2	152.5	-6.4	113.1	I96 G97 P98 A104 S111 G117 N123 I125	I96-R113 WeakPolarHBondContact O-CB 3.45Å; I96-R113 WeakPolarHBondContact O-CD 3.2Å; I96-R113 WeakPolarHBondContact O-CG 3.42Å; I96-R113 PolarHBondContact O-N 3.1Å; G97-R113 PolarHBondContact O-NH1 2.88Å; P98-R113 WeakPolarHBondContact O-CD 3.17Å; A104-R113 HydrophobicContact CB-CB 3.92Å; S111-R113 VanDerWaalsContact C-N 3.27Å; S111-R113 PolarHBondContact O-N 3.03Å; R113-G117 WeakPolarHBondContact O-CA 3.28Å; R113-G117 PolarHBondContact O-N 2.73Å; R113-N123 HydrophobicContact CG-CB 4.14Å; R113-N123 VanDerWaalsContact CG-O 3.32Å; R113-N123 WeakPolarHBondContact CG-O 3.42Å; R113-N123 PolarHBondContact NE-ND2 2.94Å; R113-I125 PolarHBondContact NE-O 3.49Å; R113-I125 PolarHBondContact NH2-O 2.98Å
114	A	97.4	Very high	95.4	Very high	9 Å²	9	48.9 Å²	48.9	7%	0.074	27%	0.272	C	S	.	.	H	α-helix	trans	-72.7	-42.5	174.4	0	0	0	0	0	111.9	A104 K105 A108 P109 S111 L112	A104-A114 HydrophobicContact CB-CB 4.06Å; K105-A114 WeakPolarHBondContact CE-O 3.46Å; K105-A114 HydrophobicContact CG-CB 4.03Å; A108-A114 VanDerWaalsContact O-CB 3.31Å; A108-A114 WeakPolarHBondContact O-CB 3.43Å; P109-A114 VanDerWaalsContact O-CB 3.3Å; P109-A114 WeakPolarHBondContact O-CB 3.27Å; S111-A114 WeakPolarHBondContact O-CA 3.31Å; S111-A114 WeakPolarHBondContact O-CB 3.43Å; S111-A114 PolarHBondContact O-N 3.18Å; S111-A114 WeakPolarHBondContact OG-CB 3.5Å; S111-A114 PolarHBondContact OG-N 3.48Å; L112-A114 VanDerWaalsContact C-N 3.34Å
115	I	97.4	Very high	95.4	Very high	91 Å²	91	48.9 Å²	48.9	47%	0.467	27%	0.272	S	S	.	.	H	α-helix	trans	-71	-46.4	-177.7	-64.8	167.6	0	0	0	111.3	E110 S111 L112	E110-I115 WeakPolarHBondContact O-CD1 3.26Å; S111-I115 WeakPolarHBondContact O-CG1 3.23Å; S111-I115 PolarHBondContact O-N 3.02Å; L112-I115 PolarHBondContact O-N 3.17Å
116	Y	97	Very high	95.4	Very high	34 Å²	34	45.6 Å²	45.6	13%	0.133	26%	0.258	C	S	.	.	H	α-helix	trans	-108.8	-21.1	-170.2	-58.2	-68.9	0	0	0	114.4	I22 Y25 I29 L112	I22-Y116 HydrophobicContact CD1-CG 4.41Å; I22-Y116 HydrophobicContact CG2-CG 4.42Å; Y25-Y116 AromaticContact CD1-CE1 3.93Å; Y25-Y116 HydrophobicContact CD1-CE1 3.93Å; Y25-Y116 HydrophobicContact CD2-CD1 4.01Å; Y25-Y116 HydrophobicContact CD2-CE1 4.03Å; Y25-Y116 HydrophobicContact CE1-CE1 4.38Å; Y25-Y116 HydrophobicContact CE2-CD1 4.33Å; Y25-Y116 HydrophobicContact CE2-CE1 4.47Å; Y25-Y116 HydrophobicContact CG-CD1 4.18Å; Y25-Y116 AromaticContact CG-CE1 3.73Å; Y25-Y116 HydrophobicContact CG-CE1 3.73Å; I29-Y116 HydrophobicContact CD1-CD2 4.33Å; I29-Y116 HydrophobicContact CD1-CE2 4.11Å; I29-Y116 HydrophobicContact CG1-CE2 3.99Å; L112-Y116 HydrophobicContact CB-CD2 4.43Å; L112-Y116 HydrophobicContact CD2-CD2 3.92Å; L112-Y116 HydrophobicContact CD2-CE2 3.53Å; L112-Y116 WeakPolarHBondContact O-CB 3.46Å; L112-Y116 WeakPolarHBondContact O-CD2 3.29Å; L112-Y116 PolarHBondContact O-N 2.99Å
117	G	95.5	Very high	95.4	Very high	2 Å²	2	41.8 Å²	41.8	2%	0.021	23%	0.227	C	C	.	.			trans	-76.1	139.8	-175.9	0	0	0	0	0	113.8	K105 R113 Q122	K105-G117 WeakPolarHBondContact CE-O 3.44Å; K105-G117 PolarHBondContact NZ-O 3.32Å; R113-G117 WeakPolarHBondContact O-CA 3.28Å; R113-G117 PolarHBondContact O-N 2.73Å; G117-Q122 WeakPolarHBondContact CA-O 3.26Å
118	T	94	Very high	95.3	Very high	77 Å²	77	37.6 Å²	37.6	47%	0.472	20%	0.201	S	C	.	.			trans	-109.1	-34.4	177.8	57	0	0	0	0	112.5	Q122	T118-Q122 PolarHBondContact N-O 2.61Å; T118-Q122 WeakPolarHBondContact OG1-CB 3.11Å; T118-Q122 PolarHBondContact OG1-O 2.93Å
119	D	91.7	Very high	95.2	Very high	52 Å²	52	40.8 Å²	40.8	28%	0.278	21%	0.214	S	C	.	.	S	Bend	trans	-148.2	-167.5	177	68	51.4	0	0	0	112.1	A101 Q121 Q122 N123	A101-D119 WeakPolarHBondContact CB-O 3.38Å; D119-Q121 WeakPolarHBondContact OD1-CA 3.26Å; D119-Q121 PolarHBondContact OD1-N 3.34Å; D119-Q122 PolarHBondContact N-O 3.39Å; D119-Q122 CarbonylContact O-C 3.56Å; D119-Q122 PolarHBondContact OD1-N 2.87Å; D119-Q122 PolarHBondContact OD2-NE2 3.36Å; D119-N123 PolarHBondContact O-N 3.36Å
120	D	87.5	Confident	95.1	Very high	79 Å²	79	39.4 Å²	39.4	42%	0.422	21%	0.206	S	C	.	.	S	Bend	trans	-71.7	-30	-178.2	-74.8	-13.4	0	0	0	114.3	N100 N123	N100-D120 WeakPolarHBondContact CA-OD1 3.45Å; N100-D120 WeakPolarHBondContact CB-OD1 3.17Å; N100-D120 PolarHBondContact ND2-OD1 3.43Å; N100-D120 PolarHBondContact ND2-OD2 3.26Å; D120-N123 PolarHBondContact O-ND2 2.96Å
121	Q	86.6	Confident	94.8	Very high	57 Å²	57	37 Å²	37	27%	0.266	19%	0.193	S	C	.	.	S	Bend	trans	-90.4	-50.4	179.5	-60	-174.9	30.4	0	0	109.9	K19 T68 Y72 D119 N123	K19-Q121 PolarHBondContact NZ-O 2.91Å; T68-Q121 VanDerWaalsContact CB-OE1 3.25Å; T68-Q121 PolarHBondContact OG1-NE2 3.41Å; T68-Q121 PolarHBondContact OG1-OE1 2.99Å; Y72-Q121 HydrophobicContact CD1-CB 4.43Å; Y72-Q121 WeakPolarHBondContact CE1-O 3.35Å; D119-Q121 WeakPolarHBondContact OD1-CA 3.26Å; D119-Q121 PolarHBondContact OD1-N 3.34Å; Q121-N123 PolarHBondContact O-N 3.3Å; Q121-N123 VanDerWaalsContact O-N 3.08Å
122	Q	92.9	Very high	94.5	Very high	76 Å²	76	40.8 Å²	40.8	36%	0.355	22%	0.216	S	C	.	.			trans	-83.7	56	173.4	-62.4	-177.1	74.1	0	0	110.8	Y72 G117 T118 D119 G124	Y72-Q122 HydrophobicContact CD2-CG 4.2Å; Y72-Q122 HydrophobicContact CE1-CG 4.29Å; Y72-Q122 HydrophobicContact CE2-CG 3.74Å; G117-Q122 WeakPolarHBondContact CA-O 3.26Å; T118-Q122 PolarHBondContact N-O 2.61Å; T118-Q122 WeakPolarHBondContact OG1-CB 3.11Å; T118-Q122 PolarHBondContact OG1-O 2.93Å; D119-Q122 PolarHBondContact N-O 3.39Å; D119-Q122 CarbonylContact O-C 3.56Å; D119-Q122 PolarHBondContact OD1-N 2.87Å; D119-Q122 PolarHBondContact OD2-NE2 3.36Å; Q122-G124 VanDerWaalsContact C-N 3.28Å
123	N	93.7	Very high	94.4	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.011	22%	0.22	C	C	.	.			trans	-91.8	12.9	172.8	65.5	6.6	0	0	0	112.2	K19 Q99 R113 D119 D120 Q121 I125	K19-N123 PolarHBondContact NZ-OD1 3.28Å; Q99-N123 WeakPolarHBondContact O-CB 3.33Å; Q99-N123 PolarHBondContact O-ND2 3.01Å; R113-N123 HydrophobicContact CG-CB 4.14Å; R113-N123 VanDerWaalsContact CG-O 3.32Å; R113-N123 WeakPolarHBondContact CG-O 3.42Å; R113-N123 PolarHBondContact NE-ND2 2.94Å; D119-N123 PolarHBondContact O-N 3.36Å; D120-N123 PolarHBondContact O-ND2 2.96Å; Q121-N123 PolarHBondContact O-N 3.3Å; Q121-N123 VanDerWaalsContact O-N 3.08Å; N123-I125 PolarHBondContact O-N 2.94Å; N123-I125 PolarHBondContact OD1-O 3.38Å
124	G	94.5	Very high	94.2	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	73.8	-41	176.3	0	0	0	0	0	117	K19 D21 I22 Q122	K19-G124 VanDerWaalsContact CB-O 3.25Å; K19-G124 WeakPolarHBondContact CB-O 3.4Å; K19-G124 WeakPolarHBondContact CG-O 3.35Å; K19-G124 PolarHBondContact N-O 3.26Å; D21-G124 WeakPolarHBondContact OD1-CA 3.36Å; D21-G124 WeakPolarHBondContact OD2-CA 3.5Å; D21-G124 PolarHBondContact OD2-N 2.78Å; D21-G124 VanDerWaalsContact OD2-N 3.1Å; I22-G124 VanDerWaalsContact CD1-CA 3.44Å; I22-G124 VanDerWaalsContact CD1-O 3.26Å; I22-G124 WeakPolarHBondContact CD1-O 3.3Å; I22-G124 WeakPolarHBondContact CG1-O 3.39Å; Q122-G124 VanDerWaalsContact C-N 3.28Å
125	I	97	Very high	94	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	133.8	-168.2	-61.9	-167.3	0	0	0	113.3	L16 I17 I22 I29 I96 L112 R113 N123	L16-I125 HydrophobicContact CD1-CD1 4.4Å; L16-I125 HydrophobicContact CD1-CG2 3.33Å; L16-I125 HydrophobicContact CG-CG2 4.41Å; I17-I125 WeakPolarHBondContact O-CA 3.38Å; I22-I125 HydrophobicContact CD1-CD1 4.37Å; I22-I125 HydrophobicContact CD1-CG1 3.77Å; I29-I125 HydrophobicContact CD1-CD1 4.3Å; I29-I125 HydrophobicContact CG2-CD1 4.12Å; I96-I125 HydrophobicContact CB-CG2 4.41Å; I96-I125 HydrophobicContact CG2-CB 4.44Å; I96-I125 HydrophobicContact CG2-CG2 3.71Å; L112-I125 HydrophobicContact CB-CD1 3.74Å; L112-I125 HydrophobicContact CD1-CD1 3.49Å; L112-I125 VanDerWaalsContact CD1-CD1 3.49Å; L112-I125 HydrophobicContact CG-CD1 4.1Å; R113-I125 PolarHBondContact NE-O 3.49Å; R113-I125 PolarHBondContact NH2-O 2.98Å; N123-I125 PolarHBondContact O-N 2.94Å; N123-I125 PolarHBondContact OD1-O 3.38Å
126	H	97.4	Very high	93.8	Very high	23 Å²	23	45.7 Å²	45.7	11%	0.106	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	142.7	163	170.3	103.6	0	0	0	110.3	I17 F56 Y57 E137	I17-H126 HydrophobicContact CB-CB 4.11Å; I17-H126 HydrophobicContact CD1-CB 4.48Å; I17-H126 PolarHBondContact N-O 2.62Å; I17-H126 PolarHBondContact O-N 3.37Å; F56-H126 AromaticContact CZ-NE2 3.86Å; Y57-H126 AromaticContact CE1-CE1 4Å; Y57-H126 AromaticContact CE1-ND1 3.7Å; Y57-H126 PolarHBondContact OH-ND1 3.33Å; H126-E137 IonicContact CD2-OE2 3.54Å; H126-E137 IonicContact CE1-OE1 3.82Å; H126-E137 IonicContact NE2-OE1 2.9Å; H126-E137 PolarHBondContact NE2-OE1 2.94Å; H126-E137 IonicContact NE2-OE2 3.68Å; H126-E137 PolarHBondContact NE2-OE2 2.9Å
127	A	97.6	Very high	93.8	Very high	4 Å²	4	45 Å²	45	3%	0.033	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	140.1	171.2	0	0	0	0	0	109.7	L15 L92 I96	L15-A127 WeakPolarHBondContact O-CA 3.26Å; L92-A127 HydrophobicContact CD2-CB 3.53Å; L92-A127 HydrophobicContact CG-CB 3.92Å; I96-A127 HydrophobicContact CD1-CB 3.51Å
128	S	97.1	Very high	93.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	23%	0.232	C	C	.	.			trans	-56.7	145.4	176.4	-39.5	0	0	0	0	111	L15 A134 E137	L15-S128 WeakPolarHBondContact CB-OG 3.31Å; L15-S128 PolarHBondContact N-OG 3.09Å; L15-S128 PolarHBondContact O-N 2.79Å; S128-A134 WeakPolarHBondContact OG-CA 3.13Å; S128-E137 WeakPolarHBondContact CB-OE2 3.42Å; S128-E137 PolarHBondContact OG-OE2 3.32Å
129	D	94.8	Very high	93.9	Very high	96 Å²	96	47.8 Å²	47.8	51%	0.513	24%	0.235	S	C	.	.	S	Bend	trans	-100.7	-12.3	-174.3	70.8	-6.8	0	0	0	114.4	S133	D129-S133 PolarHBondContact N-OG 3.24Å; D129-S133 VanDerWaalsContact N-OG 3.15Å; D129-S133 WeakPolarHBondContact OD1-CB 3.39Å; D129-S133 PolarHBondContact OD1-OG 3.32Å
130	S	94	Very high	94.1	Very high	46 Å²	46	48.4 Å²	48.4	32%	0.322	24%	0.235	S	C	.	.	S	Bend	trans	-157.2	164.2	-173.8	63.4	0	0	0	0	110.4	T132 S133 A134	S130-T132 PolarHBondContact O-N 3.05Å; S130-S133 PolarHBondContact N-OG 3.36Å; S130-S133 PolarHBondContact O-N 3.47Å; S130-S133 PolarHBondContact O-OG 3.22Å; S130-S133 PolarHBondContact OG-N 2.83Å; S130-S133 PolarHBondContact OG-OG 2.58Å; S130-A134 VanDerWaalsContact O-CB 3.31Å; S130-A134 WeakPolarHBondContact O-CB 3.48Å; S130-A134 PolarHBondContact O-N 3Å
131	F	91.9	Very high	94.5	Very high	112 Å²	112	45.1 Å²	45.1	49%	0.491	22%	0.217	S	C	.	.	H	α-helix	trans	-58.7	-37.9	175.9	-68.5	-78.8	0	0	0	112.4	E12 I89 E135	E12-F131 HydrophobicContact CB-CE1 4.07Å; E12-F131 VanDerWaalsContact CD-CE1 3.48Å; E12-F131 VanDerWaalsContact CD-CZ 3.41Å; E12-F131 HydrophobicContact CG-CE1 3.63Å; E12-F131 HydrophobicContact CG-CZ 4.01Å; E12-F131 WeakPolarHBondContact OE1-CZ 3.15Å; I89-F131 HydrophobicContact CD1-CB 4.44Å; I89-F131 HydrophobicContact CD1-CD1 3.73Å; I89-F131 HydrophobicContact CD1-CD2 4.33Å; I89-F131 HydrophobicContact CD1-CE1 4.02Å; I89-F131 HydrophobicContact CD1-CG 3.92Å; I89-F131 HydrophobicContact CD1-CZ 4.45Å; F131-E135 WeakPolarHBondContact O-CB 3.17Å; F131-E135 PolarHBondContact O-N 3Å
132	T	91.6	Very high	94.9	Very high	85 Å²	85	42.5 Å²	42.5	52%	0.521	21%	0.205	S	C	.	.	H	α-helix	trans	-71	-40.7	-178.8	-55.5	0	0	0	0	111.8	S130 K136	S130-T132 PolarHBondContact O-N 3.05Å; T132-K136 WeakPolarHBondContact O-CG 3.46Å; T132-K136 PolarHBondContact O-N 3.15Å
133	S	94.5	Very high	94.8	Very high	13 Å²	13	42.8 Å²	42.8	9%	0.091	21%	0.213	C	C	.	.	H	α-helix	trans	-66.7	-45.6	172.9	55.3	0	0	0	0	110.5	D129 S130 E135 K136 E137	D129-S133 PolarHBondContact N-OG 3.24Å; D129-S133 VanDerWaalsContact N-OG 3.15Å; D129-S133 WeakPolarHBondContact OD1-CB 3.39Å; D129-S133 PolarHBondContact OD1-OG 3.32Å; S130-S133 PolarHBondContact N-OG 3.36Å; S130-S133 PolarHBondContact O-N 3.47Å; S130-S133 PolarHBondContact O-OG 3.22Å; S130-S133 PolarHBondContact OG-N 2.83Å; S130-S133 PolarHBondContact OG-OG 2.58Å; S133-E135 PolarHBondContact O-N 3.18Å; S133-K136 PolarHBondContact O-N 3.01Å; S133-E137 VanDerWaalsContact O-CB 3.26Å; S133-E137 WeakPolarHBondContact O-CB 3.49Å; S133-E137 WeakPolarHBondContact O-CG 3.28Å; S133-E137 PolarHBondContact O-N 3.17Å
134	A	95.1	Very high	94.3	Very high	2 Å²	2	50.1 Å²	50.1	2%	0.017	25%	0.252	C	S	.	.	H	α-helix	trans	-54.6	-46.9	176.4	0	0	0	0	0	112.9	I89 S128 S130 I138	I89-A134 HydrophobicContact CD1-CB 4.31Å; S128-A134 WeakPolarHBondContact OG-CA 3.13Å; S130-A134 VanDerWaalsContact O-CB 3.31Å; S130-A134 WeakPolarHBondContact O-CB 3.48Å; S130-A134 PolarHBondContact O-N 3Å; A134-I138 VanDerWaalsContact O-CB 3.26Å; A134-I138 WeakPolarHBondContact O-CB 3.35Å; A134-I138 WeakPolarHBondContact O-CD1 3.48Å; A134-I138 WeakPolarHBondContact O-CG1 3.37Å; A134-I138 PolarHBondContact O-N 3.04Å
135	E	92.1	Very high	93.5	Very high	53 Å²	53	51.5 Å²	51.5	25%	0.248	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-46.9	178.1	-171	-167.2	161	0	0	112.1	F131 S133 R139	F131-E135 WeakPolarHBondContact O-CB 3.17Å; F131-E135 PolarHBondContact O-N 3Å; S133-E135 PolarHBondContact O-N 3.18Å; E135-R139 WeakPolarHBondContact O-CB 3.35Å; E135-R139 PolarHBondContact O-N 2.98Å; E135-R139 IonicContact OE1-CZ 2.73Å; E135-R139 IonicContact OE1-NH1 3.75Å; E135-R139 IonicContact OE1-NH2 2.66Å; E135-R139 PolarHBondContact OE1-NH2 3.36Å
136	K	93.7	Very high	92.1	Very high	144 Å²	144	57.1 Å²	57.1	63%	0.626	29%	0.293	S	S	*	.	H	α-helix	trans	-63	-48.2	179.5	-73	176.8	-179.5	-178.2	0	111.4	T132 S133 R139 F140	T132-K136 WeakPolarHBondContact O-CG 3.46Å; T132-K136 PolarHBondContact O-N 3.15Å; S133-K136 PolarHBondContact O-N 3.01Å; K136-R139 PolarHBondContact O-N 3.14Å; K136-F140 PolarHBondContact O-N 3.2Å
137	E	96.9	Very high	90.4	Very high	19 Å²	19	57.7 Å²	57.7	9%	0.089	30%	0.298	C	S	.	.	H	α-helix	trans	-65.2	-42.5	-178.8	-69.3	176.7	-159.2	0	0	111.5	L15 F56 H126 S128 S133 F140 F141	L15-E137 HydrophobicContact CB-CB 4.21Å; L15-E137 HydrophobicContact CD2-CB 3.79Å; F56-E137 HydrophobicContact CE2-CB 3.88Å; F56-E137 HydrophobicContact CE2-CG 3.67Å; F56-E137 HydrophobicContact CZ-CB 4.24Å; F56-E137 HydrophobicContact CZ-CG 3.79Å; H126-E137 IonicContact CD2-OE2 3.54Å; H126-E137 IonicContact CE1-OE1 3.82Å; H126-E137 IonicContact NE2-OE1 2.9Å; H126-E137 PolarHBondContact NE2-OE1 2.94Å; H126-E137 IonicContact NE2-OE2 3.68Å; H126-E137 PolarHBondContact NE2-OE2 2.9Å; S128-E137 WeakPolarHBondContact CB-OE2 3.42Å; S128-E137 PolarHBondContact OG-OE2 3.32Å; S133-E137 VanDerWaalsContact O-CB 3.26Å; S133-E137 WeakPolarHBondContact O-CB 3.49Å; S133-E137 WeakPolarHBondContact O-CG 3.28Å; S133-E137 PolarHBondContact O-N 3.17Å; E137-F140 WeakPolarHBondContact O-CB 3.31Å; E137-F140 PolarHBondContact O-N 2.9Å; E137-F141 WeakPolarHBondContact O-CD2 3.4Å; E137-F141 PolarHBondContact O-N 3.36Å
138	I	96	Very high	88.6	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.8	-45.4	174	-69.7	164.6	0	0	0	110.3	R13 L15 V82 A134 F140 F141 F142 M145 V147	R13-I138 HydrophobicContact CB-CD1 4.05Å; L15-I138 HydrophobicContact CB-CG1 4.3Å; L15-I138 HydrophobicContact CD1-CG1 3.98Å; V82-I138 HydrophobicContact CG1-CD1 3.8Å; V82-I138 HydrophobicContact CG1-CG1 4.06Å; V82-I138 HydrophobicContact CG1-CG2 4.41Å; V82-I138 HydrophobicContact CG2-CG1 4.15Å; V82-I138 HydrophobicContact CG2-CG2 4.09Å; A134-I138 VanDerWaalsContact O-CB 3.26Å; A134-I138 WeakPolarHBondContact O-CB 3.35Å; A134-I138 WeakPolarHBondContact O-CD1 3.48Å; A134-I138 WeakPolarHBondContact O-CG1 3.37Å; A134-I138 PolarHBondContact O-N 3.04Å; I138-F140 VanDerWaalsContact C-N 3.3Å; I138-F140 PolarHBondContact O-N 2.67Å; I138-F141 PolarHBondContact O-N 3.33Å; I138-F142 WeakPolarHBondContact O-CA 3.48Å; I138-F142 WeakPolarHBondContact O-CB 3.45Å; I138-F142 PolarHBondContact O-N 3.48Å; I138-M145 HydrophobicContact CG2-SD 3.99Å; I138-V147 HydrophobicContact CB-CG2 4.28Å; I138-V147 HydrophobicContact CG2-CG2 3.59Å
139	R	94.8	Very high	86.4	Confident	139 Å²	139	63.2 Å²	63.2	53%	0.525	34%	0.337	S	S	.	.	H	α-helix	trans	-67	-31.3	179.8	-176.3	149	55.2	-154.4	-14	112.7	E135 K136 P143	E135-R139 WeakPolarHBondContact O-CB 3.35Å; E135-R139 PolarHBondContact O-N 2.98Å; E135-R139 IonicContact OE1-CZ 2.73Å; E135-R139 IonicContact OE1-NH1 3.75Å; E135-R139 IonicContact OE1-NH2 2.66Å; E135-R139 PolarHBondContact OE1-NH2 3.36Å; K136-R139 PolarHBondContact O-N 3.14Å; R139-P143 VanDerWaalsContact O-CA 3.29Å; R139-P143 WeakPolarHBondContact O-CA 3.21Å
140	F	95.8	Very high	84.2	Confident	65 Å²	65	62.2 Å²	62.2	29%	0.285	33%	0.331	S	S	.	.	H	α-helix	trans	-60.4	-48.4	173.5	-178.7	-89.2	0	0	0	111.5	Q52 E55 F56 K136 E137 I138	Q52-F140 HydrophobicContact CB-CZ 4.44Å; Q52-F140 WeakPolarHBondContact O-CZ 3.44Å; E55-F140 HydrophobicContact CB-CE2 4.11Å; E55-F140 HydrophobicContact CG-CE2 3.85Å; F56-F140 HydrophobicContact CB-CD1 4.44Å; F56-F140 HydrophobicContact CB-CE1 3.96Å; F56-F140 HydrophobicContact CB-CE2 4.34Å; F56-F140 HydrophobicContact CB-CZ 3.9Å; F56-F140 HydrophobicContact CD2-CB 4.4Å; F56-F140 AromaticContact CD2-CD1 3.6Å; F56-F140 HydrophobicContact CD2-CD1 3.6Å; F56-F140 AromaticContact CD2-CE1 3.94Å; F56-F140 HydrophobicContact CD2-CE1 3.94Å; F56-F140 AromaticContact CD2-CG 3.92Å; F56-F140 HydrophobicContact CD2-CG 3.92Å; F56-F140 HydrophobicContact CE2-CD1 4.37Å; F56-F140 HydrophobicContact CG-CD1 4.4Å; F56-F140 HydrophobicContact CG-CE1 4.31Å; K136-F140 PolarHBondContact O-N 3.2Å; E137-F140 WeakPolarHBondContact O-CB 3.31Å; E137-F140 PolarHBondContact O-N 2.9Å; I138-F140 VanDerWaalsContact C-N 3.3Å; I138-F140 PolarHBondContact O-N 2.67Å
141	F	96.5	Very high	82.2	Confident	10 Å²	10	64.5 Å²	64.5	4%	0.044	35%	0.347	C	S	.	.	H	α-helix	trans	-85.5	-30.7	-178.8	-71.9	-74	0	0	0	113.9	L15 I17 R44 V46 L48 F56 I78 V80 E137 I138	L15-F141 HydrophobicContact CD1-CD2 4.28Å; L15-F141 HydrophobicContact CD2-CD2 3.67Å; L15-F141 HydrophobicContact CD2-CE2 3.72Å; I17-F141 HydrophobicContact CD1-CE2 3.72Å; I17-F141 HydrophobicContact CD1-CZ 3.94Å; I17-F141 HydrophobicContact CG1-CE2 4.47Å; R44-F141 PolarHBondContact NE-O 3.3Å; R44-F141 PolarHBondContact NH1-O 3.25Å; R44-F141 PolarHBondContact NH2-O 3.37Å; V46-F141 HydrophobicContact CG2-CD1 4.4Å; V46-F141 HydrophobicContact CG2-CE1 4.06Å; L48-F141 HydrophobicContact CD1-CE1 4.26Å; L48-F141 HydrophobicContact CD1-CZ 4.17Å; L48-F141 HydrophobicContact CD2-CE1 4.01Å; F56-F141 HydrophobicContact CD2-CD2 4.48Å; F56-F141 AromaticContact CD2-CE2 3.66Å; F56-F141 HydrophobicContact CD2-CE2 3.66Å; F56-F141 HydrophobicContact CD2-CZ 4.09Å; F56-F141 HydrophobicContact CE1-CE2 4.47Å; F56-F141 HydrophobicContact CE2-CD2 4.05Å; F56-F141 AromaticContact CE2-CE2 3.3Å; F56-F141 HydrophobicContact CE2-CE2 3.3Å; F56-F141 HydrophobicContact CE2-CZ 4.11Å; F56-F141 HydrophobicContact CG-CE2 4.39Å; F56-F141 HydrophobicContact CG-CZ 4.45Å; F56-F141 AromaticContact CZ-CE2 3.77Å; F56-F141 HydrophobicContact CZ-CE2 3.77Å; F56-F141 HydrophobicContact CZ-CZ 4.47Å; I78-F141 HydrophobicContact CD1-CE1 4.19Å; I78-F141 HydrophobicContact CD1-CZ 4.16Å; V80-F141 HydrophobicContact CB-CD1 4.48Å; V80-F141 HydrophobicContact CG1-CB 4.08Å; V80-F141 HydrophobicContact CG1-CD1 4.21Å; V80-F141 HydrophobicContact CG1-CD2 3.77Å; V80-F141 HydrophobicContact CG1-CE2 4.21Å; V80-F141 HydrophobicContact CG1-CG 3.77Å; V80-F141 HydrophobicContact CG2-CD1 3.91Å; V80-F141 HydrophobicContact CG2-CE1 3.76Å; V80-F141 HydrophobicContact CG2-CE2 4.42Å; V80-F141 HydrophobicContact CG2-CG 4.31Å; V80-F141 HydrophobicContact CG2-CZ 4.05Å; E137-F141 WeakPolarHBondContact O-CD2 3.4Å; E137-F141 PolarHBondContact O-N 3.36Å; I138-F141 PolarHBondContact O-N 3.33Å
142	F	95.1	Very high	80.4	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.009	35%	0.346	C	S	.	.			trans	-131.7	69.9	-173.5	-55.9	-94.4	0	0	0	109.9	L15 Q42 R44 V80 V82 I138 D144 M145	L15-F142 HydrophobicContact CD1-CE2 4.34Å; Q42-F142 HydrophobicContact CB-CD1 3.9Å; Q42-F142 HydrophobicContact CB-CE1 3.54Å; Q42-F142 HydrophobicContact CB-CZ 4.05Å; Q42-F142 VanDerWaalsContact CD-CD1 3.43Å; Q42-F142 HydrophobicContact CG-CD1 4.25Å; Q42-F142 HydrophobicContact CG-CE1 4.28Å; Q42-F142 VanDerWaalsContact OE1-CD1 3.26Å; R44-F142 HydrophobicContact CB-CE1 4.34Å; R44-F142 HydrophobicContact CB-CZ 4.36Å; R44-F142 HydrophobicContact CG-CE1 3.97Å; R44-F142 HydrophobicContact CG-CE2 4.43Å; R44-F142 HydrophobicContact CG-CZ 3.65Å; V80-F142 HydrophobicContact CG1-CE2 3.8Å; V80-F142 HydrophobicContact CG1-CZ 4.36Å; V82-F142 HydrophobicContact CG2-CD2 3.44Å; V82-F142 VanDerWaalsContact CG2-CD2 3.44Å; V82-F142 HydrophobicContact CG2-CE2 3.39Å; V82-F142 HydrophobicContact CG2-CG 4.12Å; V82-F142 HydrophobicContact CG2-CZ 4.02Å; I138-F142 WeakPolarHBondContact O-CA 3.48Å; I138-F142 WeakPolarHBondContact O-CB 3.45Å; I138-F142 PolarHBondContact O-N 3.48Å; F142-D144 PolarHBondContact O-N 3.42Å; F142-M145 HydrophobicContact CB-CB 3.8Å; F142-M145 HydrophobicContact CB-SD 4.42Å; F142-M145 VanDerWaalsContact O-CB 3.28Å; F142-M145 WeakPolarHBondContact O-CB 3.47Å; F142-M145 PolarHBondContact O-N 3.15Å
143	P	90.3	Very high	78.7	Confident	82 Å²	82	69.6 Å²	69.6	53%	0.532	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-30.4	-172	22.8	-34.1	0	0	0	113.8	R139 M145	R139-P143 VanDerWaalsContact O-CA 3.29Å; R139-P143 WeakPolarHBondContact O-CA 3.21Å; P143-M145 VanDerWaalsContact C-N 3.29Å; P143-M145 PolarHBondContact O-N 3.29Å
144	D	83.9	Confident	77	Confident	155 Å²	155	74.7 Å²	74.7	83%	0.829	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-1	179.6	-52.9	-48.5	0	0	0	113.4	F142	F142-D144 PolarHBondContact O-N 3.42Å
145	M	78.2	Confident	75.6	Confident	30 Å²	30	77 Å²	77	15%	0.148	41%	0.407	C	S	.	.			trans	-81.9	122.2	-177.4	-172.5	170.5	173.6	0	0	111.6	I41 Q42 V82 I138 F142 P143 V147	I41-M145 HydrophobicContact CB-CE 4.11Å; I41-M145 HydrophobicContact CG2-CE 3.41Å; I41-M145 VanDerWaalsContact CG2-CE 3.41Å; Q42-M145 HydrophobicContact CG-SD 4.33Å; V82-M145 HydrophobicContact CB-CE 4.27Å; V82-M145 HydrophobicContact CB-SD 4.18Å; V82-M145 HydrophobicContact CG1-CE 3.62Å; V82-M145 HydrophobicContact CG1-SD 3.95Å; V82-M145 HydrophobicContact CG2-SD 3.95Å; I138-M145 HydrophobicContact CG2-SD 3.99Å; F142-M145 HydrophobicContact CB-CB 3.8Å; F142-M145 HydrophobicContact CB-SD 4.42Å; F142-M145 VanDerWaalsContact O-CB 3.28Å; F142-M145 WeakPolarHBondContact O-CB 3.47Å; F142-M145 PolarHBondContact O-N 3.15Å; P143-M145 VanDerWaalsContact C-N 3.29Å; P143-M145 PolarHBondContact O-N 3.29Å; M145-V147 PolarHBondContact O-N 3.45Å
146	V	66.6	Low	74.5	Confident	118 Å²	118	76.2 Å²	76.2	72%	0.715	41%	0.409	S	S	*	.			trans	-76.8	102.5	173.1	-176.1	0	0	0	0	109.9	A148	V146-A148 HydrophobicContact CG1-CB 4.11Å; V146-A148 PolarHBondContact O-N 2.92Å
147	V	61.2	Low	73.7	Confident	36 Å²	36	76.1 Å²	76.1	22%	0.218	41%	0.409	C	S	.	.			trans	-85.9	95.2	174.3	-170.3	0	0	0	0	108.9	I138 M145	I138-V147 HydrophobicContact CB-CG2 4.28Å; I138-V147 HydrophobicContact CG2-CG2 3.59Å; M145-V147 PolarHBondContact O-N 3.45Å
148	A	59.9	Low	72.7	Confident	41 Å²	41	78.6 Å²	78.6	34%	0.339	42%	0.422	S	S	.	.			trans	-135.3	150.4	-178.9	0	0	0	0	0	114.5	R13 V146	R13-A148 VanDerWaalsContact CZ-O 3.3Å; R13-A148 PolarHBondContact NH1-O 3Å; R13-A148 PolarHBondContact NH2-O 2.9Å; V146-A148 HydrophobicContact CG1-CB 4.11Å; V146-A148 PolarHBondContact O-N 2.92Å
149	P	51.9	Low	71.8	Confident	79 Å²	79	85.4 Å²	85.4	51%	0.513	45%	0.449	S	S	.	.			cis	-107	119.9	7.5	31.5	-16.2	0	0	0	111.1	V152	P149-V152 HydrophobicContact CB-CG2 3.96Å
150	I	48.6	Very low	71.3	Confident	75 Å²	75	82.5 Å²	82.5	39%	0.385	44%	0.444	S	S	.	.	S	Bend	trans	-50.9	164	153.9	-61	166.9	0	0	0	107.1	V152 A155	I150-V152 HydrophobicContact CB-CG2 4.43Å; I150-V152 WeakPolarHBondContact O-CG2 3.44Å; I150-V152 PolarHBondContact O-N 3.39Å; I150-A155 HydrophobicContact CG2-CB 4.09Å
151	S	51.7	Low	70.8	Confident	94 Å²	94	83 Å²	83	66%	0.657	45%	0.452	S	S	*	.	S	Bend	trans	-59.2	76.5	155.1	174.7	0	0	0	0	108.5	R153 L154	S151-R153 PolarHBondContact O-N 3.08Å; S151-R153 VanDerWaalsContact O-N 3.15Å; S151-L154 PolarHBondContact O-N 3.36Å
152	V	53.6	Low	70.2	Confident	78 Å²	78	91.2 Å²	91.2	47%	0.473	48%	0.483	S	S	.	.	H	α-helix	trans	-67.4	-27.7	-160.1	-163.8	0	0	0	0	108.7	P149 I150 A156	P149-V152 HydrophobicContact CB-CG2 3.96Å; I150-V152 HydrophobicContact CB-CG2 4.43Å; I150-V152 WeakPolarHBondContact O-CG2 3.44Å; I150-V152 PolarHBondContact O-N 3.39Å; V152-A156 HydrophobicContact CG1-CB 3.95Å; V152-A156 WeakPolarHBondContact O-CA 3.34Å; V152-A156 WeakPolarHBondContact O-CB 3.36Å; V152-A156 PolarHBondContact O-N 2.96Å
153	R	57.3	Low	69.7	Low	227 Å²	227	94.8 Å²	94.8	86%	0.857	50%	0.502	S	S	*	.	H	α-helix	trans	-65.2	-47.6	-175.6	-71.7	-171.1	-176.6	-157.7	1.6	112.7	S151 K157	S151-R153 PolarHBondContact O-N 3.08Å; S151-R153 VanDerWaalsContact O-N 3.15Å; R153-K157 WeakPolarHBondContact O-CB 3.49Å; R153-K157 PolarHBondContact O-N 3.07Å
154	L	58.2	Low	69.6	Low	119 Å²	119	93.2 Å²	93.2	62%	0.623	49%	0.491	S	S	*	.	H	α-helix	trans	-76.4	-47	-176.7	-142.5	79.4	0	0	0	110.7	S151 K157 D158	S151-L154 PolarHBondContact O-N 3.36Å; L154-K157 PolarHBondContact O-N 3.14Å; L154-D158 WeakPolarHBondContact O-CB 3.45Å; L154-D158 PolarHBondContact O-N 2.94Å
155	A	64.8	Low	70	Confident	52 Å²	52	89 Å²	89	43%	0.43	47%	0.468	S	S	.	.	H	α-helix	trans	-66.9	-41.6	-179.4	0	0	0	0	0	112.7	I150 D158 Y159	I150-A155 HydrophobicContact CG2-CB 4.09Å; A155-D158 PolarHBondContact O-N 3.34Å; A155-Y159 VanDerWaalsContact O-CB 3.31Å; A155-Y159 WeakPolarHBondContact O-CB 3.48Å; A155-Y159 PolarHBondContact O-N 3.47Å
156	A	69.2	Low	70.8	Confident	36 Å²	36	90.4 Å²	90.4	30%	0.298	48%	0.48	S	S	.	.	H	α-helix	trans	-71.1	-35.8	175	0	0	0	0	0	111.4	V152 Y159 L160	V152-A156 HydrophobicContact CG1-CB 3.95Å; V152-A156 WeakPolarHBondContact O-CA 3.34Å; V152-A156 WeakPolarHBondContact O-CB 3.36Å; V152-A156 PolarHBondContact O-N 2.96Å; A156-Y159 PolarHBondContact O-N 2.85Å; A156-L160 VanDerWaalsContact O-CB 3.29Å; A156-L160 WeakPolarHBondContact O-CB 3.23Å; A156-L160 WeakPolarHBondContact O-CG 3.38Å; A156-L160 PolarHBondContact O-N 3.49Å
157	K	76.8	Confident	72.2	Confident	141 Å²	141	86 Å²	86	61%	0.613	45%	0.453	S	S	*	.	H	α-helix	trans	-62.5	-45.1	173.5	-174.3	177.1	-177.2	-177	0	110.9	R153 L154 L160 V161	R153-K157 WeakPolarHBondContact O-CB 3.49Å; R153-K157 PolarHBondContact O-N 3.07Å; L154-K157 PolarHBondContact O-N 3.14Å; K157-L160 PolarHBondContact O-N 3Å; K157-V161 HydrophobicContact CG-CG2 4.37Å; K157-V161 WeakPolarHBondContact O-CB 3.27Å; K157-V161 WeakPolarHBondContact O-CG2 3.41Å; K157-V161 PolarHBondContact O-N 2.97Å
158	D	76	Confident	73.8	Confident	71 Å²	71	86.9 Å²	86.9	38%	0.38	46%	0.456	S	S	.	.	H	α-helix	trans	-63.3	-43.1	176.3	-76.9	-11	0	0	0	111.6	L154 A155 V161 R162	L154-D158 WeakPolarHBondContact O-CB 3.45Å; L154-D158 PolarHBondContact O-N 2.94Å; A155-D158 PolarHBondContact O-N 3.34Å; D158-V161 PolarHBondContact O-N 3.14Å; D158-R162 VanDerWaalsContact O-CB 3.3Å; D158-R162 WeakPolarHBondContact O-CB 3.32Å; D158-R162 VanDerWaalsContact O-CG 3.23Å; D158-R162 WeakPolarHBondContact O-CG 3.29Å; D158-R162 PolarHBondContact O-N 2.92Å
159	Y	78.3	Confident	75.6	Confident	143 Å²	143	90.5 Å²	90.5	56%	0.561	47%	0.469	S	S	*	.	H	α-helix	trans	-61.7	-47.6	175.9	-179.3	-91.2	0	0	0	111.9	A155 A156 R162 N163 V164	A155-Y159 VanDerWaalsContact O-CB 3.31Å; A155-Y159 WeakPolarHBondContact O-CB 3.48Å; A155-Y159 PolarHBondContact O-N 3.47Å; A156-Y159 PolarHBondContact O-N 2.85Å; Y159-R162 PolarHBondContact O-N 2.99Å; Y159-N163 HydrophobicContact CD2-CB 4.48Å; Y159-N163 WeakPolarHBondContact CD2-ND2 3.47Å; Y159-N163 HydrophobicContact CE1-CB 4.42Å; Y159-N163 HydrophobicContact CE2-CB 4.17Å; Y159-N163 WeakPolarHBondContact CE2-ND2 3.49Å; Y159-N163 WeakPolarHBondContact O-CB 3.38Å; Y159-N163 PolarHBondContact O-N 2.86Å; Y159-N163 PolarHBondContact O-ND2 3.29Å; Y159-V164 HydrophobicContact CD1-CG2 4.21Å; Y159-V164 HydrophobicContact CE1-CG2 3.77Å
160	L	82.4	Confident	77.7	Confident	79 Å²	79	93.3 Å²	93.3	41%	0.414	47%	0.473	S	S	.	.	I	π-helix	trans	-60.9	-48.3	177.5	-72.9	170.5	0	0	0	110.3	A156 K157 R162 V164 N165	A156-L160 VanDerWaalsContact O-CB 3.29Å; A156-L160 WeakPolarHBondContact O-CB 3.23Å; A156-L160 WeakPolarHBondContact O-CG 3.38Å; A156-L160 PolarHBondContact O-N 3.49Å; K157-L160 PolarHBondContact O-N 3Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 3.45Å; L160-V164 HydrophobicContact CD2-CB 3.97Å; L160-V164 HydrophobicContact CD2-CG1 4.16Å; L160-V164 HydrophobicContact CD2-CG2 4.01Å; L160-V164 PolarHBondContact O-N 3.07Å; L160-N165 VanDerWaalsContact O-CB 3.3Å; L160-N165 WeakPolarHBondContact O-CB 2.93Å; L160-N165 PolarHBondContact O-N 3.15Å; L160-N165 PolarHBondContact O-OD1 2.59Å
161	V	86.6	Confident	80	Confident	76 Å²	76	89.8 Å²	89.8	46%	0.461	46%	0.455	S	S	.	.	I	π-helix	trans	-61	-39.6	179.6	168.9	0	0	0	0	112	K157 D158 P166	K157-V161 HydrophobicContact CG-CG2 4.37Å; K157-V161 WeakPolarHBondContact O-CB 3.27Å; K157-V161 WeakPolarHBondContact O-CG2 3.41Å; K157-V161 PolarHBondContact O-N 2.97Å; D158-V161 PolarHBondContact O-N 3.14Å; V161-P166 WeakPolarHBondContact O-CD 3.21Å
162	R	83.8	Confident	82.2	Confident	182 Å²	182	88.7 Å²	88.7	69%	0.687	44%	0.442	S	S	*	.	I	π-helix	trans	-82.6	-42.9	-175.9	-69.3	176.3	-173.6	-167.5	4.2	113.4	D158 Y159 L160	D158-R162 VanDerWaalsContact O-CB 3.3Å; D158-R162 WeakPolarHBondContact O-CB 3.32Å; D158-R162 VanDerWaalsContact O-CG 3.23Å; D158-R162 WeakPolarHBondContact O-CG 3.29Å; D158-R162 PolarHBondContact O-N 2.92Å; Y159-R162 PolarHBondContact O-N 2.99Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 3.45Å
163	N	83.8	Confident	84.3	Confident	77 Å²	77	88.2 Å²	88.2	41%	0.412	44%	0.439	S	S	.	.	I	π-helix	trans	-112.1	-24.6	-164.7	-55.8	-66.4	0	0	0	114	Y159	Y159-N163 HydrophobicContact CD2-CB 4.48Å; Y159-N163 WeakPolarHBondContact CD2-ND2 3.47Å; Y159-N163 HydrophobicContact CE1-CB 4.42Å; Y159-N163 HydrophobicContact CE2-CB 4.17Å; Y159-N163 WeakPolarHBondContact CE2-ND2 3.49Å; Y159-N163 WeakPolarHBondContact O-CB 3.38Å; Y159-N163 PolarHBondContact O-N 2.86Å; Y159-N163 PolarHBondContact O-ND2 3.29Å
164	V	89.1	Confident	86.2	Confident	48 Å²	48	80.2 Å²	80.2	29%	0.291	41%	0.411	S	S	.	.	I	π-helix	trans	-110.5	-53.5	-172.3	-178.5	0	0	0	0	111.5	Y159 L160 P166 T167 L168	Y159-V164 HydrophobicContact CD1-CG2 4.21Å; Y159-V164 HydrophobicContact CE1-CG2 3.77Å; L160-V164 HydrophobicContact CD2-CB 3.97Å; L160-V164 HydrophobicContact CD2-CG1 4.16Å; L160-V164 HydrophobicContact CD2-CG2 4.01Å; L160-V164 PolarHBondContact O-N 3.07Å; V164-P166 VanDerWaalsContact C-CD 3.44Å; V164-T167 PolarHBondContact O-N 2.94Å; V164-L168 HydrophobicContact CG1-CB 4.32Å; V164-L168 HydrophobicContact CG1-CD2 4.21Å; V164-L168 VanDerWaalsContact O-CB 3.29Å; V164-L168 WeakPolarHBondContact O-CB 3.22Å; V164-L168 PolarHBondContact O-N 3.48Å
165	N	92.5	Very high	88.1	Confident	66 Å²	66	75.7 Å²	75.7	35%	0.353	39%	0.388	S	S	.	.	H	α-helix	trans	-57.7	-40	-172.6	-68.6	-2.2	0	0	0	114	L160 T167 L168 L169	L160-N165 VanDerWaalsContact O-CB 3.3Å; L160-N165 WeakPolarHBondContact O-CB 2.93Å; L160-N165 PolarHBondContact O-N 3.15Å; L160-N165 PolarHBondContact O-OD1 2.59Å; N165-T167 VanDerWaalsContact C-N 3.32Å; N165-T167 PolarHBondContact O-N 2.91Å; N165-L168 PolarHBondContact O-N 3.34Å; N165-L169 WeakPolarHBondContact O-CB 3.43Å; N165-L169 PolarHBondContact O-N 3.39Å
166	P	95.1	Very high	89.6	Confident	61 Å²	61	77.5 Å²	77.5	40%	0.396	40%	0.396	S	S	.	.	H	α-helix	trans	-60.1	-41.8	-179.1	-25.5	36.2	0	0	0	112.9	V161 V164 K170	V161-P166 WeakPolarHBondContact O-CD 3.21Å; V164-P166 VanDerWaalsContact C-CD 3.44Å; P166-K170 WeakPolarHBondContact O-CG 3.26Å
167	T	95.1	Very high	90.9	Very high	25 Å²	25	82.4 Å²	82.4	15%	0.153	41%	0.411	C	S	.	.	H	α-helix	trans	-79.6	-44.2	178.7	-53	0	0	0	0	111	V164 N165 L169 K170 G171 W190 L191 N194	V164-T167 PolarHBondContact O-N 2.94Å; N165-T167 VanDerWaalsContact C-N 3.32Å; N165-T167 PolarHBondContact O-N 2.91Å; T167-L169 PolarHBondContact O-N 2.89Å; T167-K170 PolarHBondContact O-N 3.43Å; T167-G171 PolarHBondContact O-N 3.09Å; T167-W190 HydrophobicContact CG2-CZ3 4.1Å; T167-W190 WeakPolarHBondContact O-CZ3 3.44Å; T167-L191 HydrophobicContact CG2-CD2 3.98Å; T167-N194 WeakPolarHBondContact CG2-O 3.45Å
168	L	96.1	Very high	91.9	Very high	54 Å²	54	81.6 Å²	81.6	28%	0.283	41%	0.409	S	S	.	.	H	α-helix	trans	-61.5	-42.3	-179.5	-178.5	61	0	0	0	112	V164 N165 K170 G171 L172 L187 L191	V164-L168 HydrophobicContact CG1-CB 4.32Å; V164-L168 HydrophobicContact CG1-CD2 4.21Å; V164-L168 VanDerWaalsContact O-CB 3.29Å; V164-L168 WeakPolarHBondContact O-CB 3.22Å; V164-L168 PolarHBondContact O-N 3.48Å; N165-L168 PolarHBondContact O-N 3.34Å; L168-K170 VanDerWaalsContact C-N 3.34Å; L168-K170 PolarHBondContact O-N 3.3Å; L168-G171 PolarHBondContact O-N 3.18Å; L168-L172 HydrophobicContact CD1-CD1 4.23Å; L168-L172 HydrophobicContact CD1-CG 4.2Å; L168-L172 HydrophobicContact CG-CD1 3.96Å; L168-L172 HydrophobicContact CG-CG 4.37Å; L168-L172 WeakPolarHBondContact O-CB 3.4Å; L168-L172 VanDerWaalsContact O-CG 3.29Å; L168-L172 WeakPolarHBondContact O-CG 3.3Å; L168-L172 PolarHBondContact O-N 2.97Å; L168-L187 HydrophobicContact CD1-CD2 4.45Å; L168-L191 HydrophobicContact CD1-CD1 4.23Å
169	L	96.6	Very high	92.8	Very high	118 Å²	118	86.4 Å²	86.4	62%	0.618	43%	0.427	S	S	*	.	H	α-helix	trans	-65.2	-38.3	179.4	-169.6	71.5	0	0	0	111.8	N165 T167 T173	N165-L169 WeakPolarHBondContact O-CB 3.43Å; N165-L169 PolarHBondContact O-N 3.39Å; T167-L169 PolarHBondContact O-N 2.89Å; L169-T173 WeakPolarHBondContact O-CB 3.23Å; L169-T173 PolarHBondContact O-N 2.91Å; L169-T173 PolarHBondContact O-OG1 3.07Å
170	K	96.5	Very high	93.7	Very high	138 Å²	138	81 Å²	81	60%	0.6	41%	0.409	S	S	*	.	H	α-helix	trans	-62.8	-48.4	173	-72.5	174.7	-177.8	179.8	0	110.7	P166 T167 L168 L172 T173 E174 W190	P166-K170 WeakPolarHBondContact O-CG 3.26Å; T167-K170 PolarHBondContact O-N 3.43Å; L168-K170 VanDerWaalsContact C-N 3.34Å; L168-K170 PolarHBondContact O-N 3.3Å; K170-L172 PolarHBondContact O-N 3.06Å; K170-T173 WeakPolarHBondContact O-CB 3.29Å; K170-T173 PolarHBondContact O-N 3.48Å; K170-T173 VanDerWaalsContact O-N 3.11Å; K170-E174 PolarHBondContact O-N 2.84Å; K170-W190 HydrophobicContact CB-CH2 3.66Å; K170-W190 HydrophobicContact CB-CZ2 4.37Å; K170-W190 HydrophobicContact CB-CZ3 4.45Å
171	G	97.3	Very high	94.3	Very high	0 Å²	0	87.8 Å²	87.8	0%	0	44%	0.435	C	S	.	.	H	α-helix	trans	-60.3	-44.1	178.5	0	0	0	0	0	112.9	T167 L168 T173 E174 L175 W190	T167-G171 PolarHBondContact O-N 3.09Å; L168-G171 PolarHBondContact O-N 3.18Å; G171-T173 VanDerWaalsContact C-N 3.31Å; G171-T173 PolarHBondContact O-N 3.1Å; G171-E174 PolarHBondContact O-N 2.75Å; G171-L175 VanDerWaalsContact O-CB 3.3Å; G171-L175 WeakPolarHBondContact O-CB 3.3Å; G171-L175 PolarHBondContact O-N 3.26Å; G171-W190 VanDerWaalsContact N-CZ3 3.33Å
172	L	97.7	Very high	94.8	Very high	72 Å²	72	88.1 Å²	88.1	38%	0.377	43%	0.434	S	S	.	.	H	α-helix	trans	-63.5	-36.5	174.9	-71.5	171.6	0	0	0	112.3	L168 K170 L175 C176 L187	L168-L172 HydrophobicContact CD1-CD1 4.23Å; L168-L172 HydrophobicContact CD1-CG 4.2Å; L168-L172 HydrophobicContact CG-CD1 3.96Å; L168-L172 HydrophobicContact CG-CG 4.37Å; L168-L172 WeakPolarHBondContact O-CB 3.4Å; L168-L172 VanDerWaalsContact O-CG 3.29Å; L168-L172 WeakPolarHBondContact O-CG 3.3Å; L168-L172 PolarHBondContact O-N 2.97Å; K170-L172 PolarHBondContact O-N 3.06Å; L172-L175 HydrophobicContact CD2-CD2 4.4Å; L172-C176 PolarHBondContact O-N 3.22Å; L172-C176 VanDerWaalsContact O-N 3.09Å; L172-C176 PolarHBondContact O-SG 3.37Å; L172-C176 VanDerWaalsContact O-SG 3.34Å; L172-L187 HydrophobicContact CD2-CD2 3.8Å
173	T	97.6	Very high	95.5	Very high	67 Å²	67	82.4 Å²	82.4	41%	0.411	42%	0.421	S	S	.	.	H	α-helix	trans	-65.5	-44.6	175.8	-59.6	0	0	0	0	111.1	L169 K170 G171 C176 K177	L169-T173 WeakPolarHBondContact O-CB 3.23Å; L169-T173 PolarHBondContact O-N 2.91Å; L169-T173 PolarHBondContact O-OG1 3.07Å; K170-T173 WeakPolarHBondContact O-CB 3.29Å; K170-T173 PolarHBondContact O-N 3.48Å; K170-T173 VanDerWaalsContact O-N 3.11Å; G171-T173 VanDerWaalsContact C-N 3.31Å; G171-T173 PolarHBondContact O-N 3.1Å; T173-C176 PolarHBondContact O-N 2.81Å; T173-K177 WeakPolarHBondContact O-CG 3.31Å; T173-K177 PolarHBondContact O-N 3.4Å
174	E	97.6	Very high	96.1	Very high	59 Å²	59	84.4 Å²	84.4	28%	0.276	44%	0.436	S	S	.	.	H	α-helix	trans	-69	-37.5	177.2	-66.3	-52.2	125.3	0	0	112.3	K170 G171 C176 K177 Q178 W186 W190	K170-E174 PolarHBondContact O-N 2.84Å; G171-E174 PolarHBondContact O-N 2.75Å; E174-C176 VanDerWaalsContact C-N 3.31Å; E174-C176 PolarHBondContact O-N 3.36Å; E174-K177 WeakPolarHBondContact O-CB 3.29Å; E174-K177 PolarHBondContact O-N 3.37Å; E174-K177 VanDerWaalsContact O-N 3.08Å; E174-K177 IonicContact OE1-NZ 2.71Å; E174-K177 PolarHBondContact OE1-NZ 3.37Å; E174-K177 IonicContact OE2-NZ 3.92Å; E174-Q178 WeakPolarHBondContact O-CG 3.41Å; E174-Q178 PolarHBondContact O-N 2.87Å; E174-W186 HydrophobicContact CB-CH2 3.73Å; E174-W186 HydrophobicContact CB-CZ3 4.36Å; E174-W190 HydrophobicContact CG-CZ2 4.14Å
175	L	97.7	Very high	96.5	Very high	25 Å²	25	86.9 Å²	86.9	13%	0.131	45%	0.447	C	S	.	.	H	α-helix	trans	-57.4	-45.3	174.3	179.7	68.7	0	0	0	111.3	G171 L172 K177 Q178 K179 P180 P183 W186 L187	G171-L175 VanDerWaalsContact O-CB 3.3Å; G171-L175 WeakPolarHBondContact O-CB 3.3Å; G171-L175 PolarHBondContact O-N 3.26Å; L172-L175 HydrophobicContact CD2-CD2 4.4Å; L175-K177 VanDerWaalsContact C-N 3.27Å; L175-K177 PolarHBondContact O-N 3.37Å; L175-Q178 PolarHBondContact O-N 3.43Å; L175-K179 PolarHBondContact O-N 3.47Å; L175-P180 HydrophobicContact CD1-CG 3.52Å; L175-P183 HydrophobicContact CD1-CB 3.81Å; L175-P183 WeakPolarHBondContact CD1-O 3.35Å; L175-P183 HydrophobicContact CD2-CB 4.13Å; L175-P183 HydrophobicContact CG-CB 4.39Å; L175-W186 HydrophobicContact CB-CE3 4.02Å; L175-W186 HydrophobicContact CB-CZ3 3.74Å; L175-W186 HydrophobicContact CD1-CD2 4.15Å; L175-W186 HydrophobicContact CD1-CE3 3.43Å; L175-W186 VanDerWaalsContact CD1-CE3 3.43Å; L175-W186 HydrophobicContact CD1-CZ3 4.05Å; L175-W186 HydrophobicContact CG-CE3 4.34Å; L175-L187 HydrophobicContact CD2-CB 4.37Å; L175-L187 HydrophobicContact CD2-CD2 4.35Å
176	C	96.5	Very high	96.7	Very high	90 Å²	90	86.9 Å²	86.9	61%	0.608	44%	0.442	S	S	*	.	H	α-helix	trans	-64.1	-29.4	177.1	-75.7	0	0	0	0	113.4	L172 T173 E174 K179	L172-C176 PolarHBondContact O-N 3.22Å; L172-C176 VanDerWaalsContact O-N 3.09Å; L172-C176 PolarHBondContact O-SG 3.37Å; L172-C176 VanDerWaalsContact O-SG 3.34Å; T173-C176 PolarHBondContact O-N 2.81Å; E174-C176 VanDerWaalsContact C-N 3.31Å; E174-C176 PolarHBondContact O-N 3.36Å; C176-K179 WeakPolarHBondContact O-CE 3.17Å; C176-K179 WeakPolarHBondContact O-CG 2.89Å
177	K	96.7	Very high	96.8	Very high	138 Å²	138	85.2 Å²	85.2	60%	0.6	43%	0.43	S	S	*	.	H	α-helix	trans	-76.1	-47.6	175.7	-69	171.1	-175.9	171.5	0	111.6	T173 E174 L175	T173-K177 WeakPolarHBondContact O-CG 3.31Å; T173-K177 PolarHBondContact O-N 3.4Å; E174-K177 WeakPolarHBondContact O-CB 3.29Å; E174-K177 PolarHBondContact O-N 3.37Å; E174-K177 VanDerWaalsContact O-N 3.08Å; E174-K177 IonicContact OE1-NZ 2.71Å; E174-K177 PolarHBondContact OE1-NZ 3.37Å; E174-K177 IonicContact OE2-NZ 3.92Å; L175-K177 VanDerWaalsContact C-N 3.27Å; L175-K177 PolarHBondContact O-N 3.37Å
178	Q	96	Very high	96.9	Very high	125 Å²	125	86.1 Å²	86.1	58%	0.584	44%	0.439	S	S	*	.	H	α-helix	trans	-77	-33.5	-173.5	-67	-70.5	9.9	0	0	113.2	E174 L175 W186	E174-Q178 WeakPolarHBondContact O-CG 3.41Å; E174-Q178 PolarHBondContact O-N 2.87Å; L175-Q178 PolarHBondContact O-N 3.43Å; Q178-W186 HydrophobicContact CB-CZ2 4.2Å; Q178-W186 HydrophobicContact CG-CH2 4.29Å; Q178-W186 HydrophobicContact CG-CZ2 3.79Å
179	K	96.1	Very high	96.9	Very high	171 Å²	171	87.4 Å²	87.4	74%	0.743	45%	0.447	S	S	*	.			trans	47.3	54.7	-177.8	-58.1	-178.4	-179.6	178.1	0	113	L175 C176	L175-K179 PolarHBondContact O-N 3.47Å; C176-K179 WeakPolarHBondContact O-CE 3.17Å; C176-K179 WeakPolarHBondContact O-CG 2.89Å
180	P	96.8	Very high	96.9	Very high	31 Å²	31	83.5 Å²	83.5	20%	0.201	42%	0.424	C	S	.	.			trans	-63.4	157.9	-179.5	31.7	-38.7	0	0	0	111.3	L175 D182 W186	L175-P180 HydrophobicContact CD1-CG 3.52Å; P180-D182 PolarHBondContact O-N 2.84Å; P180-W186 HydrophobicContact CB-CB 3.91Å; P180-W186 HydrophobicContact CB-CG 3.8Å; P180-W186 HydrophobicContact CG-CB 3.56Å; P180-W186 HydrophobicContact CG-CD2 3.93Å; P180-W186 HydrophobicContact CG-CE3 4.44Å; P180-W186 HydrophobicContact CG-CG 3.52Å
181	K	96.1	Very high	96.9	Very high	220 Å²	220	79.5 Å²	79.5	96%	0.957	41%	0.409	S	S	*	.	S	Bend	trans	-62.8	-32.2	179.2	-166.6	-179.2	179.7	-175.3	0	112.8
182	D	97	Very high	96.6	Very high	83 Å²	83	84.5 Å²	84.5	44%	0.444	44%	0.435	S	S	.	.	S	Bend	trans	-120.2	92	172.1	-169	-25.6	0	0	0	110.1	P180 V184 L185 W186	P180-D182 PolarHBondContact O-N 2.84Å; D182-V184 VanDerWaalsContact C-N 3.29Å; D182-V184 PolarHBondContact O-N 3.31Å; D182-V184 PolarHBondContact OD1-N 3.04Å; D182-L185 HydrophobicContact CB-CB 4.2Å; D182-L185 PolarHBondContact OD1-N 3.23Å; D182-L185 VanDerWaalsContact OD1-N 3.1Å; D182-W186 WeakPolarHBondContact O-CB 3.49Å; D182-W186 PolarHBondContact O-N 2.98Å; D182-W186 VanDerWaalsContact O-N 3.09Å
183	P	96.9	Very high	96.4	Very high	63 Å²	63	88.2 Å²	88.2	41%	0.409	45%	0.45	S	S	.	.	H	α-helix	trans	-62.1	-32.4	-177.9	-26.4	35.9	0	0	0	114.8	L175 L187	L175-P183 HydrophobicContact CD1-CB 3.81Å; L175-P183 WeakPolarHBondContact CD1-O 3.35Å; L175-P183 HydrophobicContact CD2-CB 4.13Å; L175-P183 HydrophobicContact CG-CB 4.39Å; P183-L187 VanDerWaalsContact O-CB 3.26Å; P183-L187 WeakPolarHBondContact O-CB 2.98Å; P183-L187 PolarHBondContact O-N 3.41Å
184	V	97.1	Very high	96.2	Very high	118 Å²	118	88.5 Å²	88.5	72%	0.715	45%	0.449	S	S	*	.	H	α-helix	trans	-76.2	-49.7	-175.1	177.8	0	0	0	0	109.6	D182 W186 L187 A188	D182-V184 VanDerWaalsContact C-N 3.29Å; D182-V184 PolarHBondContact O-N 3.31Å; D182-V184 PolarHBondContact OD1-N 3.04Å; V184-W186 VanDerWaalsContact C-N 3.33Å; V184-W186 PolarHBondContact O-N 3.27Å; V184-L187 PolarHBondContact O-N 3.37Å; V184-A188 PolarHBondContact O-N 2.81Å
185	L	97.1	Very high	95.8	Very high	101 Å²	101	88.6 Å²	88.6	53%	0.529	45%	0.452	S	S	.	.	H	α-helix	trans	-62.6	-44.3	178.9	-170.8	66.5	0	0	0	110.7	D182 L187 A188 D189	D182-L185 HydrophobicContact CB-CB 4.2Å; D182-L185 PolarHBondContact OD1-N 3.23Å; D182-L185 VanDerWaalsContact OD1-N 3.1Å; L185-L187 VanDerWaalsContact C-N 3.35Å; L185-L187 PolarHBondContact O-N 3.28Å; L185-A188 WeakPolarHBondContact O-CB 3.29Å; L185-A188 PolarHBondContact O-N 3.08Å; L185-D189 PolarHBondContact O-N 3.46Å
186	W	97.9	Very high	95.2	Very high	66 Å²	66	91.5 Å²	91.5	25%	0.25	47%	0.472	C	S	.	.	H	α-helix	trans	-60.4	-42.9	177.3	-173.8	93.2	0	0	0	112.5	E174 L175 Q178 P180 D182 V184 A188 D189 W190	E174-W186 HydrophobicContact CB-CH2 3.73Å; E174-W186 HydrophobicContact CB-CZ3 4.36Å; L175-W186 HydrophobicContact CB-CE3 4.02Å; L175-W186 HydrophobicContact CB-CZ3 3.74Å; L175-W186 HydrophobicContact CD1-CD2 4.15Å; L175-W186 HydrophobicContact CD1-CE3 3.43Å; L175-W186 VanDerWaalsContact CD1-CE3 3.43Å; L175-W186 HydrophobicContact CD1-CZ3 4.05Å; L175-W186 HydrophobicContact CG-CE3 4.34Å; Q178-W186 HydrophobicContact CB-CZ2 4.2Å; Q178-W186 HydrophobicContact CG-CH2 4.29Å; Q178-W186 HydrophobicContact CG-CZ2 3.79Å; P180-W186 HydrophobicContact CB-CB 3.91Å; P180-W186 HydrophobicContact CB-CG 3.8Å; P180-W186 HydrophobicContact CG-CB 3.56Å; P180-W186 HydrophobicContact CG-CD2 3.93Å; P180-W186 HydrophobicContact CG-CE3 4.44Å; P180-W186 HydrophobicContact CG-CG 3.52Å; D182-W186 WeakPolarHBondContact O-CB 3.49Å; D182-W186 PolarHBondContact O-N 2.98Å; D182-W186 VanDerWaalsContact O-N 3.09Å; V184-W186 VanDerWaalsContact C-N 3.33Å; V184-W186 PolarHBondContact O-N 3.27Å; W186-A188 VanDerWaalsContact C-N 3.34Å; W186-D189 PolarHBondContact O-N 2.85Å; W186-W190 HydrophobicContact CE3-CB 4.2Å; W186-W190 HydrophobicContact CH2-CB 4.2Å; W186-W190 AromaticContact CH2-CD1 3.29Å; W186-W190 AromaticContact CH2-CG 3.83Å; W186-W190 HydrophobicContact CH2-CG 3.83Å; W186-W190 AromaticContact CH2-NE1 3.92Å; W186-W190 AromaticContact CZ2-CD1 3.76Å; W186-W190 HydrophobicContact CZ2-CG 4.48Å; W186-W190 HydrophobicContact CZ3-CB 3.95Å; W186-W190 AromaticContact CZ3-CD1 3.85Å; W186-W190 AromaticContact CZ3-CG 3.91Å; W186-W190 HydrophobicContact CZ3-CG 3.91Å; W186-W190 VanDerWaalsContact O-CB 3.29Å; W186-W190 WeakPolarHBondContact O-CB 3.35Å; W186-W190 PolarHBondContact O-N 3.26Å
187	L	97.8	Very high	94.4	Very high	26 Å²	26	93.1 Å²	93.1	14%	0.136	48%	0.475	C	S	.	.	H	α-helix	trans	-67.3	-37.2	178	-178	62.9	0	0	0	111.5	L168 L172 L175 P183 V184 L185 W190 L191	L168-L187 HydrophobicContact CD1-CD2 4.45Å; L172-L187 HydrophobicContact CD2-CD2 3.8Å; L175-L187 HydrophobicContact CD2-CB 4.37Å; L175-L187 HydrophobicContact CD2-CD2 4.35Å; P183-L187 VanDerWaalsContact O-CB 3.26Å; P183-L187 WeakPolarHBondContact O-CB 2.98Å; P183-L187 PolarHBondContact O-N 3.41Å; V184-L187 PolarHBondContact O-N 3.37Å; L185-L187 VanDerWaalsContact C-N 3.35Å; L185-L187 PolarHBondContact O-N 3.28Å; L187-W190 PolarHBondContact O-N 2.86Å; L187-L191 HydrophobicContact CD1-CD1 4.34Å; L187-L191 HydrophobicContact CD1-CG 4.2Å; L187-L191 HydrophobicContact CG-CD1 4.02Å; L187-L191 HydrophobicContact CG-CG 4.33Å; L187-L191 WeakPolarHBondContact O-CB 3.11Å; L187-L191 WeakPolarHBondContact O-CG 3.3Å; L187-L191 PolarHBondContact O-N 3.42Å
188	A	96.1	Very high	93.3	Very high	43 Å²	43	91.7 Å²	91.7	36%	0.355	47%	0.468	S	S	.	.	H	α-helix	trans	-61.3	-49.2	176	0	0	0	0	0	111.2	V184 L185 W186 W190 L191 L192	V184-A188 PolarHBondContact O-N 2.81Å; L185-A188 WeakPolarHBondContact O-CB 3.29Å; L185-A188 PolarHBondContact O-N 3.08Å; W186-A188 VanDerWaalsContact C-N 3.34Å; A188-W190 PolarHBondContact O-N 2.83Å; A188-L191 PolarHBondContact O-N 3.43Å; A188-L192 WeakPolarHBondContact O-CG 3.37Å; A188-L192 PolarHBondContact O-N 2.86Å
189	D	96	Very high	91.2	Very high	81 Å²	81	90.1 Å²	90.1	43%	0.433	47%	0.469	S	S	.	.	H	α-helix	trans	-60.5	-46.5	176.5	-68.8	-24.4	0	0	0	110.9	L185 W186 L191 L192 E193	L185-D189 PolarHBondContact O-N 3.46Å; W186-D189 PolarHBondContact O-N 2.85Å; D189-L191 VanDerWaalsContact C-N 3.32Å; D189-L191 PolarHBondContact O-N 3.47Å; D189-L192 PolarHBondContact O-N 2.92Å; D189-L192 VanDerWaalsContact O-N 3.14Å; D189-E193 WeakPolarHBondContact O-CG 3.19Å; D189-E193 PolarHBondContact O-N 2.92Å
190	W	96.7	Very high	89	Confident	37 Å²	37	88.2 Å²	88.2	14%	0.14	46%	0.463	C	S	.	.	H	α-helix	trans	-58.2	-43.3	177.7	-169.5	96.3	0	0	0	112.1	T167 K170 G171 E174 W186 L187 A188 E193 N194	T167-W190 HydrophobicContact CG2-CZ3 4.1Å; T167-W190 WeakPolarHBondContact O-CZ3 3.44Å; K170-W190 HydrophobicContact CB-CH2 3.66Å; K170-W190 HydrophobicContact CB-CZ2 4.37Å; K170-W190 HydrophobicContact CB-CZ3 4.45Å; G171-W190 VanDerWaalsContact N-CZ3 3.33Å; E174-W190 HydrophobicContact CG-CZ2 4.14Å; W186-W190 HydrophobicContact CE3-CB 4.2Å; W186-W190 HydrophobicContact CH2-CB 4.2Å; W186-W190 AromaticContact CH2-CD1 3.29Å; W186-W190 AromaticContact CH2-CG 3.83Å; W186-W190 HydrophobicContact CH2-CG 3.83Å; W186-W190 AromaticContact CH2-NE1 3.92Å; W186-W190 AromaticContact CZ2-CD1 3.76Å; W186-W190 HydrophobicContact CZ2-CG 4.48Å; W186-W190 HydrophobicContact CZ3-CB 3.95Å; W186-W190 AromaticContact CZ3-CD1 3.85Å; W186-W190 AromaticContact CZ3-CG 3.91Å; W186-W190 HydrophobicContact CZ3-CG 3.91Å; W186-W190 VanDerWaalsContact O-CB 3.29Å; W186-W190 WeakPolarHBondContact O-CB 3.35Å; W186-W190 PolarHBondContact O-N 3.26Å; L187-W190 PolarHBondContact O-N 2.86Å; A188-W190 PolarHBondContact O-N 2.83Å; W190-E193 PolarHBondContact O-N 2.71Å; W190-N194 HydrophobicContact CD2-CB 4.38Å; W190-N194 HydrophobicContact CE3-CB 4.03Å; W190-N194 HydrophobicContact CH2-CB 3.81Å; W190-N194 HydrophobicContact CZ2-CB 4.21Å; W190-N194 HydrophobicContact CZ3-CB 3.73Å; W190-N194 WeakPolarHBondContact O-CB 3.33Å; W190-N194 PolarHBondContact O-N 3.38Å; W190-N194 PolarHBondContact O-ND2 3.3Å
191	L	95.5	Very high	86.7	Confident	54 Å²	54	91.7 Å²	91.7	28%	0.283	49%	0.485	S	S	.	.	H	α-helix	trans	-67	-37.2	177.8	-73.4	171	0	0	0	112.1	T167 L168 L187 A188 D189 E193 N194 N195	T167-L191 HydrophobicContact CG2-CD2 3.98Å; L168-L191 HydrophobicContact CD1-CD1 4.23Å; L187-L191 HydrophobicContact CD1-CD1 4.34Å; L187-L191 HydrophobicContact CD1-CG 4.2Å; L187-L191 HydrophobicContact CG-CD1 4.02Å; L187-L191 HydrophobicContact CG-CG 4.33Å; L187-L191 WeakPolarHBondContact O-CB 3.11Å; L187-L191 WeakPolarHBondContact O-CG 3.3Å; L187-L191 PolarHBondContact O-N 3.42Å; A188-L191 PolarHBondContact O-N 3.43Å; D189-L191 VanDerWaalsContact C-N 3.32Å; D189-L191 PolarHBondContact O-N 3.47Å; L191-E193 VanDerWaalsContact C-N 3.34Å; L191-N194 CarbonylContact O-C 3.59Å; L191-N194 PolarHBondContact O-N 3.08Å; L191-N195 WeakPolarHBondContact O-CB 3.39Å; L191-N195 PolarHBondContact O-N 2.94Å
192	L	92.2	Very high	84.5	Confident	105 Å²	105	87.9 Å²	87.9	55%	0.55	47%	0.474	S	S	.	.	H	α-helix	trans	-67.8	-33.9	176.2	-73.2	171.8	0	0	0	112.5	A188 D189 K198	A188-L192 WeakPolarHBondContact O-CG 3.37Å; A188-L192 PolarHBondContact O-N 2.86Å; D189-L192 PolarHBondContact O-N 2.92Å; D189-L192 VanDerWaalsContact O-N 3.14Å; L192-K198 WeakPolarHBondContact O-CD 3.37Å; L192-K198 PolarHBondContact O-NZ 3.37Å
193	E	93.2	Very high	82	Confident	149 Å²	149	89.3 Å²	89.3	70%	0.696	48%	0.482	S	S	*	.	H	α-helix	trans	-75.9	-35.5	175.6	-71.6	179.6	172.5	0	0	112.5	D189 W190 L191	D189-E193 WeakPolarHBondContact O-CG 3.19Å; D189-E193 PolarHBondContact O-N 2.92Å; W190-E193 PolarHBondContact O-N 2.71Å; L191-E193 VanDerWaalsContact C-N 3.34Å
194	N	93.7	Very high	79.4	Confident	74 Å²	74	93.5 Å²	93.5	40%	0.396	50%	0.497	S	S	.	.	S	Bend	trans	-103.9	22.1	-175.4	-66.5	-90.9	0	0	0	113.2	T167 W190 L191 P196	T167-N194 WeakPolarHBondContact CG2-O 3.45Å; W190-N194 HydrophobicContact CD2-CB 4.38Å; W190-N194 HydrophobicContact CE3-CB 4.03Å; W190-N194 HydrophobicContact CH2-CB 3.81Å; W190-N194 HydrophobicContact CZ2-CB 4.21Å; W190-N194 HydrophobicContact CZ3-CB 3.73Å; W190-N194 WeakPolarHBondContact O-CB 3.33Å; W190-N194 PolarHBondContact O-N 3.38Å; W190-N194 PolarHBondContact O-ND2 3.3Å; L191-N194 CarbonylContact O-C 3.59Å; L191-N194 PolarHBondContact O-N 3.08Å; N194-P196 VanDerWaalsContact O-CD 3.27Å; N194-P196 WeakPolarHBondContact O-CD 3.46Å
195	N	88.4	Confident	76.8	Confident	61 Å²	61	93.8 Å²	93.8	33%	0.326	50%	0.499	S	S	.	.			trans	-70.3	114.7	179	178.4	2.3	0	0	0	110.2	L191 N197 K198	L191-N195 WeakPolarHBondContact O-CB 3.39Å; L191-N195 PolarHBondContact O-N 2.94Å; N195-N197 PolarHBondContact O-N 3.11Å; N195-N197 VanDerWaalsContact O-N 3.14Å; N195-N197 WeakPolarHBondContact OD1-CB 3.35Å; N195-N197 PolarHBondContact OD1-N 3.44Å; N195-K198 HydrophobicContact CB-CB 4.18Å; N195-K198 WeakPolarHBondContact O-CB 3.37Å; N195-K198 PolarHBondContact O-N 2.92Å
196	P	85.5	Confident	73.9	Confident	86 Å²	86	94.4 Å²	94.4	56%	0.558	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.8	-178.7	29	-36.5	0	0	0	113.5	N194	N194-P196 VanDerWaalsContact O-CD 3.27Å; N194-P196 WeakPolarHBondContact O-CD 3.46Å
197	N	79.2	Confident	71.2	Confident	124 Å²	124	100.5 Å²	100.5	66%	0.663	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	5.5	177.8	-56.5	-48.6	0	0	0	112.6	N195 P199	N195-N197 PolarHBondContact O-N 3.11Å; N195-N197 VanDerWaalsContact O-N 3.14Å; N195-N197 WeakPolarHBondContact OD1-CB 3.35Å; N195-N197 PolarHBondContact OD1-N 3.44Å; N197-P199 WeakPolarHBondContact O-CD 3.46Å
198	K	75.1	Confident	69.8	Low	107 Å²	107	104.2 Å²	104.2	47%	0.465	58%	0.581	S	S	.	*	S	Bend	trans	-78.3	120.8	176.3	-145.5	177.6	-168.5	174.8	0	107.9	L192 N195 H200	L192-K198 WeakPolarHBondContact O-CD 3.37Å; L192-K198 PolarHBondContact O-NZ 3.37Å; N195-K198 HydrophobicContact CB-CB 4.18Å; N195-K198 WeakPolarHBondContact O-CB 3.37Å; N195-K198 PolarHBondContact O-N 2.92Å; K198-H200 PolarHBondContact O-N 3.3Å
199	P	51.9	Low	68.5	Low	93 Å²	93	107.4 Å²	107.4	60%	0.604	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-62.5	131.7	179.9	22.8	-30.4	0	0	0	109.9	N197	N197-P199 WeakPolarHBondContact O-CD 3.46Å
200	H	49.6	Very low	66.9	Low	130 Å²	130	108.9 Å²	108.9	60%	0.602	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-86.8	144.9	174.3	-77.5	-29.1	0	0	0	109.9	K198 I202 D203	K198-H200 PolarHBondContact O-N 3.3Å; H200-I202 PolarHBondContact O-N 3.44Å; H200-D203 PolarHBondContact O-N 3.09Å
201	P	48.5	Very low	65.2	Low	104 Å²	104	113.1 Å²	113.1	68%	0.675	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-56.5	-19.4	-176.2	-25	33.3	0	0	0	114.9	D203 M204	P201-D203 VanDerWaalsContact C-N 3.27Å; P201-D203 PolarHBondContact O-N 3.34Å; P201-M204 PolarHBondContact O-N 2.73Å
202	I	48.8	Very low	63.3	Low	141 Å²	141	116.8 Å²	116.8	72%	0.723	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-70.8	-25.1	-179.8	-57.6	176.2	0	0	0	111.3	H200 M204	H200-I202 PolarHBondContact O-N 3.44Å; I202-M204 PolarHBondContact O-N 2.97Å
203	D	45.6	Very low	61.4	Low	113 Å²	113	117.6 Å²	117.6	60%	0.604	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-77.3	-6.4	180	-58.6	-36.7	0	0	0	113.2	H200 P201	H200-D203 PolarHBondContact O-N 3.09Å; P201-D203 VanDerWaalsContact C-N 3.27Å; P201-D203 PolarHBondContact O-N 3.34Å
204	M	41.3	Very low	59.1	Low	150 Å²	150	115.4 Å²	115.4	74%	0.739	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-96.7	-0.1	179.5	-64.8	-171.7	-179.7	0	0	114.2	P201 I202	P201-M204 PolarHBondContact O-N 2.73Å; I202-M204 PolarHBondContact O-N 2.97Å
205	V	42.8	Very low	56.4	Low	124 Å²	124	118.5 Å²	118.5	75%	0.752	67%	0.674	S	S	*	*	S	Bend	trans	-108.7	0.1	-176.3	-170.4	0	0	0	0	112.9
206	T	35.5	Very low	53.8	Low	115 Å²	115	123.3 Å²	123.3	71%	0.706	70%	0.703	S	S	*	*			trans	-120	83.7	172.6	56	0	0	0	0	110.3
207	S	41.2	Very low	50.9	Low	193 Å²	193	126.7 Å²	126.7	100%	1.35	72%	0.717	S	S	*	*			trans	-150.8	0	160.7	-68.3	0	0	0	0	108.8

Retrieved 207 of 207 residues in 111.7 ms (Link to these results)

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