A0A077Z0X4_TRITR Loading...

Thioredoxin reductase 2

AlphaFold DB , UniProt , Accession A0A077Z0X4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 515 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	31.1	Very low	46.2	Very low	250 Å²	250	131 Å²	131	100%	1.232	74%	0.738	S	S	*	*				0	87.9	0	-147.8	167.8	-155.8	0	0	106.8	C3	M1-C3 PolarHBondContact O-N 3.44Å
2	A	28.3	Very low	49.7	Very low	97 Å²	97	122.8 Å²	122.8	80%	0.802	69%	0.687	S	S	*	*			trans	-86.1	105.5	-172.1	0	0	0	0	0	109.6	R4	A2-R4 VanDerWaalsContact C-N 3.31Å; A2-R4 PolarHBondContact O-N 3.31Å
3	C	28.9	Very low	52.5	Low	124 Å²	124	120.7 Å²	120.7	84%	0.838	67%	0.674	S	S	*	*			trans	-84.2	83.8	162.3	-145.1	0	0	0	0	106.6	M1 L5	M1-C3 PolarHBondContact O-N 3.44Å; C3-L5 PolarHBondContact O-N 2.65Å
4	R	33	Very low	55.1	Low	233 Å²	233	112.1 Å²	112.1	88%	0.879	63%	0.626	S	S	*	*			trans	-61	102.2	168	-82	-176.2	173.4	179.6	-1.9	107.2	A2 A6	A2-R4 VanDerWaalsContact C-N 3.31Å; A2-R4 PolarHBondContact O-N 3.31Å; R4-A6 PolarHBondContact O-N 3Å
5	L	37.9	Very low	57.6	Low	120 Å²	120	105.6 Å²	105.6	63%	0.628	59%	0.589	S	S	*	*			trans	-57.4	109.6	167.1	-81.4	160.8	0	0	0	107.4	C3 N7	C3-L5 PolarHBondContact O-N 2.65Å; L5-N7 PolarHBondContact O-N 2.91Å
6	A	38.4	Very low	59.8	Low	103 Å²	103	99.2 Å²	99.2	85%	0.851	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	27.3	-174.1	0	0	0	0	0	114.9	R4	R4-A6 PolarHBondContact O-N 3Å
7	N	45.1	Very low	61.8	Low	141 Å²	141	94.4 Å²	94.4	75%	0.754	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.1	0.7	-175.2	-103.7	-6.6	0	0	0	115.6	L5 K9	L5-N7 PolarHBondContact O-N 2.91Å; N7-K9 PolarHBondContact O-N 3.07Å
8	A	47.8	Very low	63.4	Low	43 Å²	43	89.6 Å²	89.6	36%	0.355	50%	0.501	S	S	.	.			trans	-80.7	110.7	171.2	0	0	0	0	0	109.7
9	K	60	Low	64.6	Low	199 Å²	199	84.8 Å²	84.8	87%	0.865	48%	0.475	S	S	*	.			trans	-79.8	-17.7	-177.2	-88.4	-176	175.8	179.4	0	113.6	N7 V142	N7-K9 PolarHBondContact O-N 3.07Å; K9-V142 PolarHBondContact N-O 2.83Å
10	S	74	Confident	65.8	Low	48 Å²	48	81.2 Å²	81.2	34%	0.336	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	137.3	-179.5	-53.4	0	0	0	0	110.2	V143 Y144	S10-V143 WeakPolarHBondContact O-CA 3.31Å; S10-Y144 PolarHBondContact O-N 3.33Å
11	S	84.3	Confident	67	Low	83 Å²	83	78.4 Å²	78.4	58%	0.58	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	139.2	-179.5	-170.4	0	0	0	0	109.2	Y144	S11-Y144 CarbonylContact C-O 3.58Å; S11-Y144 WeakPolarHBondContact CA-O 3.36Å; S11-Y144 WeakPolarHBondContact OG-CD1 3.44Å
12	Y	87.4	Confident	69.8	Low	33 Å²	33	66.8 Å²	66.8	13%	0.129	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.2	-178.5	-64.5	-81.8	0	0	0	110.7	L14 I15 T32 D118 V143 Y144 G145 E146	Y12-L14 VanDerWaalsContact C-N 3.32Å; Y12-L14 WeakPolarHBondContact CB-O 3.5Å; Y12-I15 HydrophobicContact CD2-CG1 4.28Å; Y12-I15 HydrophobicContact CG-CG1 4.43Å; Y12-T32 HydrophobicContact CD1-CG2 3.83Å; Y12-T32 HydrophobicContact CE1-CG2 3.78Å; Y12-D118 HydrophobicContact CE1-CB 4.24Å; Y12-D118 WeakPolarHBondContact CE1-OD2 3.46Å; Y12-D118 PolarHBondContact OH-OD2 3.45Å; Y12-V143 HydrophobicContact CD2-CB 4.18Å; Y12-V143 HydrophobicContact CE2-CB 4.01Å; Y12-V143 HydrophobicContact CE2-CG1 3.89Å; Y12-Y144 PolarHBondContact N-O 3.29Å; Y12-G145 WeakPolarHBondContact O-CA 3.49Å; Y12-E146 PolarHBondContact O-N 2.85Å
13	D	86.7	Confident	72.7	Confident	95 Å²	95	62.2 Å²	62.2	51%	0.508	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-34.2	172.2	-57.7	-65.1	0	0	0	111.7	N147 F376	D13-N147 PolarHBondContact O-N 3.05Å; D13-N147 VanDerWaalsContact O-N 3.08Å; D13-N147 PolarHBondContact O-ND2 2.85Å; D13-F376 HydrophobicContact CB-CE1 4.3Å
14	L	89	Confident	75.4	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	136.6	175.3	-167	69	0	0	0	110	Y12 V16 G30 T32 N147 V149 L375 F376	Y12-L14 VanDerWaalsContact C-N 3.32Å; Y12-L14 WeakPolarHBondContact CB-O 3.5Å; L14-V16 HydrophobicContact CD2-CG2 3.53Å; L14-V16 HydrophobicContact CG-CG2 3.96Å; L14-G30 WeakPolarHBondContact CB-O 3.42Å; L14-G30 WeakPolarHBondContact CD2-O 3.36Å; L14-T32 PolarHBondContact O-OG1 3.23Å; L14-N147 CarbonylContact C-O 3.55Å; L14-N147 WeakPolarHBondContact CA-O 3.39Å; L14-N147 HydrophobicContact CD1-CB 3.67Å; L14-V149 HydrophobicContact CD1-CG2 3.72Å; L14-V149 HydrophobicContact CD2-CG2 4.43Å; L14-V149 HydrophobicContact CG-CG2 4.43Å; L14-L375 HydrophobicContact CD1-CD1 4.02Å; L14-F376 HydrophobicContact CB-CE2 4.12Å; L14-F376 HydrophobicContact CB-CZ 3.92Å; L14-F376 HydrophobicContact CD1-CE2 4.16Å; L14-F376 HydrophobicContact CD1-CZ 4.21Å; L14-F376 HydrophobicContact CD2-CE2 4.03Å; L14-F376 HydrophobicContact CG-CE2 4.33Å; L14-F376 HydrophobicContact CG-CZ 4.48Å
15	I	92.3	Very high	78	Confident	15 Å²	15	46 Å²	46	8%	0.077	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.8	162.4	-63.5	175	0	0	0	108.2	Y12 I17 I132 V143 N147 I148 V149	Y12-I15 HydrophobicContact CD2-CG1 4.28Å; Y12-I15 HydrophobicContact CG-CG1 4.43Å; I15-I17 HydrophobicContact CG2-CG1 4.11Å; I15-I132 HydrophobicContact CD1-CG1 4.25Å; I15-I132 HydrophobicContact CG2-CG1 4.34Å; I15-V143 HydrophobicContact CD1-CB 4.31Å; I15-V143 HydrophobicContact CD1-CG2 3.74Å; I15-N147 PolarHBondContact N-O 2.94Å; I15-I148 HydrophobicContact CB-CG1 4.42Å; I15-I148 CarbonylContact O-C 3.57Å; I15-I148 WeakPolarHBondContact O-CA 3.4Å; I15-V149 PolarHBondContact O-N 3.05Å
16	V	92.3	Very high	80.4	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	114.2	171.3	-168.4	0	0	0	0	110.7	L14 G18 A27 T31 T32 L33 V149 A151	L14-V16 HydrophobicContact CD2-CG2 3.53Å; L14-V16 HydrophobicContact CG-CG2 3.96Å; V16-G18 PolarHBondContact O-N 3.47Å; V16-A27 HydrophobicContact CG2-CB 4.13Å; V16-T31 WeakPolarHBondContact CG2-O 3.4Å; V16-T32 WeakPolarHBondContact CA-O 3.28Å; V16-T32 WeakPolarHBondContact CB-O 3.31Å; V16-T32 WeakPolarHBondContact CG2-O 3.1Å; V16-T32 PolarHBondContact N-O 3.13Å; V16-L33 HydrophobicContact CB-CD2 3.52Å; V16-L33 HydrophobicContact CB-CG 4.11Å; V16-L33 HydrophobicContact CG1-CD2 3.39Å; V16-L33 HydrophobicContact CG1-CG 4.43Å; V16-L33 WeakPolarHBondContact O-CA 3.49Å; V16-V149 CarbonylContact C-O 3.56Å; V16-V149 WeakPolarHBondContact CA-O 3.23Å; V16-V149 HydrophobicContact CB-CB 4.48Å; V16-V149 HydrophobicContact CG1-CB 4.12Å; V16-V149 HydrophobicContact CG1-CG1 4.12Å; V16-V149 HydrophobicContact CG2-CB 4.16Å; V16-A151 HydrophobicContact CG1-CB 4.21Å
17	I	93.5	Very high	82.5	Confident	17 Å²	17	35.5 Å²	35.5	9%	0.087	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	100	177.1	-46.9	176.3	0	0	0	108.7	I15 F126 I132 I148 V149 A151 T152 M277	I15-I17 HydrophobicContact CG2-CG1 4.11Å; I17-F126 HydrophobicContact CD1-CE1 4.45Å; I17-F126 HydrophobicContact CD1-CE2 3.94Å; I17-F126 HydrophobicContact CD1-CZ 3.77Å; I17-I132 HydrophobicContact CD1-CD1 3.68Å; I17-I132 HydrophobicContact CD1-CG1 4.06Å; I17-I148 HydrophobicContact CD1-CG2 3.95Å; I17-I148 HydrophobicContact CG1-CG2 4.24Å; I17-V149 PolarHBondContact N-O 3.19Å; I17-A151 CarbonylContact O-C 3.6Å; I17-A151 WeakPolarHBondContact O-CA 3.33Å; I17-A151 PolarHBondContact O-N 3.4Å; I17-T152 HydrophobicContact CB-CG2 4.45Å; I17-T152 HydrophobicContact CG2-CG2 3.87Å; I17-T152 WeakPolarHBondContact O-CG2 3.46Å; I17-T152 PolarHBondContact O-N 2.82Å; I17-M277 HydrophobicContact CB-CE 4.32Å; I17-M277 HydrophobicContact CD1-CE 4.07Å; I17-M277 HydrophobicContact CG2-CE 3.62Å
18	G	90.4	Very high	84.2	Confident	8 Å²	8	31.2 Å²	31.2	8%	0.082	18%	0.178	C	C	.	.			trans	126	96.9	177.2	0	0	0	0	0	114	V16 G20 G23 L33 G34	V16-G18 PolarHBondContact O-N 3.47Å; G18-G20 PolarHBondContact O-N 3.43Å; G18-G23 WeakPolarHBondContact O-CA 3.22Å; G18-L33 VanDerWaalsContact O-CD2 3.24Å; G18-L33 WeakPolarHBondContact O-CD2 3.47Å; G18-G34 CarbonylContact C-O 3.5Å; G18-G34 WeakPolarHBondContact CA-O 3.43Å; G18-G34 PolarHBondContact N-O 3.41Å
19	G	87.4	Confident	85.6	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.			trans	-65.1	31.6	171.3	0	0	0	0	0	116.6	L24 G34 G40 G41	G19-L24 WeakPolarHBondContact O-CD1 3.44Å; G19-G34 PolarHBondContact N-O 3.29Å; G19-G40 CarbonylContact O-C 3.54Å; G19-G40 WeakPolarHBondContact O-CA 3.19Å; G19-G40 PolarHBondContact O-N 3.33Å; G19-G41 PolarHBondContact O-N 3.49Å
20	G	89.2	Confident	85.4	Confident	12 Å²	12	21.4 Å²	21.4	12%	0.124	13%	0.129	C	C	.	.	S	Bend	trans	-91.4	-170	175.7	0	0	0	0	0	113.6	G18 G22 G23 L24	G18-G20 PolarHBondContact O-N 3.43Å; G20-G22 PolarHBondContact O-N 2.8Å; G20-G23 PolarHBondContact O-N 3.47Å; G20-L24 WeakPolarHBondContact O-CB 3.35Å; G20-L24 WeakPolarHBondContact O-CG 3.4Å; G20-L24 PolarHBondContact O-N 2.71Å
21	S	89.8	Confident	84.4	Confident	23 Å²	23	19.8 Å²	19.8	16%	0.161	12%	0.116	C	C	.	.	H	α-helix	trans	-58.8	-46.5	-174.2	-50.8	0	0	0	0	113.8	A25 C43	S21-A25 VanDerWaalsContact O-CB 3.31Å; S21-A25 WeakPolarHBondContact O-CB 3.36Å; S21-A25 PolarHBondContact O-N 2.96Å; S21-A25 VanDerWaalsContact O-N 3.17Å; S21-C43 WeakPolarHBondContact OG-CB 3.31Å
22	G	89.4	Confident	82.3	Confident	6 Å²	6	16.3 Å²	16.3	6%	0.062	9%	0.092	C	C	.	.	H	α-helix	trans	-69.4	-44.6	177.5	0	0	0	0	0	112.7	G20 A25 C26 I309 A364	G20-G22 PolarHBondContact O-N 2.8Å; G22-A25 PolarHBondContact O-N 3.03Å; G22-C26 WeakPolarHBondContact O-CB 3.42Å; G22-C26 PolarHBondContact O-N 3.34Å; G22-I309 WeakPolarHBondContact O-CD1 3.02Å; G22-A364 VanDerWaalsContact CA-O 3.24Å; G22-A364 WeakPolarHBondContact CA-O 3.43Å
23	G	89.7	Confident	80.1	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65.4	-45.5	179.8	0	0	0	0	0	112.9	G18 G20 A25 C26 A27 L33	G18-G23 WeakPolarHBondContact O-CA 3.22Å; G20-G23 PolarHBondContact O-N 3.47Å; G23-A25 VanDerWaalsContact C-N 3.31Å; G23-A25 PolarHBondContact O-N 2.99Å; G23-C26 PolarHBondContact O-N 3.08Å; G23-A27 WeakPolarHBondContact O-CB 3.43Å; G23-A27 PolarHBondContact O-N 2.91Å; G23-L33 VanDerWaalsContact C-CD2 3.45Å
24	L	86.8	Confident	77.5	Confident	7 Å²	7	11.2 Å²	11.2	4%	0.037	7%	0.07	C	C	.	.	H	α-helix	trans	-56.1	-43.2	172.3	-79.6	165.5	0	0	0	112.7	G19 G20 K28 L33 L39 L105	G19-L24 WeakPolarHBondContact O-CD1 3.44Å; G20-L24 WeakPolarHBondContact O-CB 3.35Å; G20-L24 WeakPolarHBondContact O-CG 3.4Å; G20-L24 PolarHBondContact O-N 2.71Å; L24-K28 VanDerWaalsContact O-CB 3.29Å; L24-K28 WeakPolarHBondContact O-CB 3.48Å; L24-K28 WeakPolarHBondContact O-CG 3.2Å; L24-K28 PolarHBondContact O-N 2.93Å; L24-L33 VanDerWaalsContact CA-CD1 3.41Å; L24-L33 HydrophobicContact CB-CD1 4.22Å; L24-L33 HydrophobicContact CD2-CD1 3.52Å; L24-L33 HydrophobicContact CG-CD1 3.83Å; L24-L39 HydrophobicContact CD1-CD1 4.33Å; L24-L39 HydrophobicContact CD1-CG 4.23Å; L24-L39 HydrophobicContact CD2-CD1 3.81Å; L24-L39 HydrophobicContact CD2-CD2 4.24Å; L24-L39 HydrophobicContact CD2-CG 4Å; L24-L39 HydrophobicContact CG-CD1 4.36Å; L24-L105 HydrophobicContact CD2-CD1 4.12Å; L24-L105 HydrophobicContact CD2-CD2 4Å; L24-L105 HydrophobicContact CD2-CG 4.36Å
25	A	87	Confident	74.9	Confident	10 Å²	10	12 Å²	12	8%	0.083	8%	0.076	C	C	.	.	H	α-helix	trans	-66.9	-43.2	177	0	0	0	0	0	111.9	S21 G22 G23 E29 I365 K369	S21-A25 VanDerWaalsContact O-CB 3.31Å; S21-A25 WeakPolarHBondContact O-CB 3.36Å; S21-A25 PolarHBondContact O-N 2.96Å; S21-A25 VanDerWaalsContact O-N 3.17Å; G22-A25 PolarHBondContact O-N 3.03Å; G23-A25 VanDerWaalsContact C-N 3.31Å; G23-A25 PolarHBondContact O-N 2.99Å; A25-E29 WeakPolarHBondContact O-CB 3.27Å; A25-E29 PolarHBondContact O-N 3.27Å; A25-I365 HydrophobicContact CB-CB 4.1Å; A25-I365 HydrophobicContact CB-CG1 4.23Å; A25-I365 HydrophobicContact CB-CG2 3.82Å; A25-I365 WeakPolarHBondContact CB-O 3.2Å; A25-K369 HydrophobicContact CB-CG 4.13Å
26	C	86.9	Confident	71.9	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.2	-46.8	176.9	-170.1	0	0	0	0	111.8	G22 G23 E29 G30 I309 G368	G22-C26 WeakPolarHBondContact O-CB 3.42Å; G22-C26 PolarHBondContact O-N 3.34Å; G23-C26 PolarHBondContact O-N 3.08Å; C26-E29 CarbonylContact O-C 3.56Å; C26-E29 PolarHBondContact O-N 2.96Å; C26-G30 WeakPolarHBondContact O-CA 3.28Å; C26-G30 PolarHBondContact O-N 3.03Å; C26-I309 HydrophobicContact CB-CD1 3.86Å; C26-G368 WeakPolarHBondContact CA-O 3.4Å
27	A	83.7	Confident	69.5	Low	2 Å²	2	25.8 Å²	25.8	2%	0.017	13%	0.131	C	C	.	.	H	α-helix	trans	-75.1	-31.4	-176.8	0	0	0	0	0	113.5	V16 G23 E29 G30 T31 L33	V16-A27 HydrophobicContact CG2-CB 4.13Å; G23-A27 WeakPolarHBondContact O-CB 3.43Å; G23-A27 PolarHBondContact O-N 2.91Å; A27-E29 PolarHBondContact O-N 3.25Å; A27-G30 PolarHBondContact O-N 2.91Å; A27-T31 WeakPolarHBondContact CA-O 3.38Å; A27-T31 VanDerWaalsContact CB-O 3.23Å; A27-T31 WeakPolarHBondContact CB-O 3.37Å; A27-T31 VanDerWaalsContact O-CA 3.28Å; A27-T31 WeakPolarHBondContact O-CA 3.43Å; A27-T31 PolarHBondContact O-N 2.79Å; A27-L33 HydrophobicContact CB-CD1 3.31Å; A27-L33 HydrophobicContact CB-CD2 4.25Å; A27-L33 HydrophobicContact CB-CG 3.43Å; A27-L33 VanDerWaalsContact CB-CG 3.43Å
28	K	80.1	Confident	67.5	Low	51 Å²	51	26.5 Å²	26.5	22%	0.222	14%	0.143	C	C	.	.	H	α-helix	trans	-66.9	-25.7	171	-74.3	174.2	-175.4	174	0	111.9	L24 H101 L105 L112	L24-K28 VanDerWaalsContact O-CB 3.29Å; L24-K28 WeakPolarHBondContact O-CB 3.48Å; L24-K28 WeakPolarHBondContact O-CG 3.2Å; L24-K28 PolarHBondContact O-N 2.93Å; K28-H101 PolarHBondContact NZ-ND1 3.38Å; K28-L105 HydrophobicContact CG-CD2 4.02Å; K28-L112 WeakPolarHBondContact O-CD1 3.46Å
29	E	77.9	Confident	66.6	Low	36 Å²	36	26.5 Å²	26.5	17%	0.168	14%	0.141	C	C	.	.	H	α-helix	trans	-93.2	-17.9	175	-157.4	94.2	-171.9	0	0	112.2	A25 C26 A27 A372 R373	A25-E29 WeakPolarHBondContact O-CB 3.27Å; A25-E29 PolarHBondContact O-N 3.27Å; C26-E29 CarbonylContact O-C 3.56Å; C26-E29 PolarHBondContact O-N 2.96Å; A27-E29 PolarHBondContact O-N 3.25Å; E29-A372 HydrophobicContact CB-CB 3.58Å; E29-A372 HydrophobicContact CG-CB 3.79Å; E29-R373 HydrophobicContact CG-CG 4.14Å; E29-R373 IonicContact OE1-CZ 3.92Å; E29-R373 IonicContact OE1-NE 2.72Å; E29-R373 PolarHBondContact OE1-NE 2.94Å; E29-R373 IonicContact OE1-NH2 3.75Å; E29-R373 PolarHBondContact OE1-NH2 3.41Å; E29-R373 IonicContact OE2-NH2 2.68Å
30	G	54.5	Low	65.8	Low	1 Å²	1	26.5 Å²	26.5	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-157	12.3	-166.9	0	0	0	0	0	119.6	L14 C26 A27	L14-G30 WeakPolarHBondContact CB-O 3.42Å; L14-G30 WeakPolarHBondContact CD2-O 3.36Å; C26-G30 WeakPolarHBondContact O-CA 3.28Å; C26-G30 PolarHBondContact O-N 3.03Å; A27-G30 PolarHBondContact O-N 2.91Å
31	T	53.5	Low	65.4	Low	13 Å²	13	26.6 Å²	26.6	8%	0.08	14%	0.142	C	C	.	.			trans	88.6	153.4	173.4	74.3	0	0	0	0	121.4	V16 A27 F114	V16-T31 WeakPolarHBondContact CG2-O 3.4Å; A27-T31 WeakPolarHBondContact CA-O 3.38Å; A27-T31 VanDerWaalsContact CB-O 3.23Å; A27-T31 WeakPolarHBondContact CB-O 3.37Å; A27-T31 VanDerWaalsContact O-CA 3.28Å; A27-T31 WeakPolarHBondContact O-CA 3.43Å; A27-T31 PolarHBondContact O-N 2.79Å; T31-F114 HydrophobicContact CG2-CB 3.46Å; T31-F114 VanDerWaalsContact CG2-CB 3.46Å; T31-F114 HydrophobicContact CG2-CD1 4.15Å; T31-F114 HydrophobicContact CG2-CD2 4.44Å; T31-F114 HydrophobicContact CG2-CG 3.77Å
32	T	41.4	Very low	65.2	Low	11 Å²	11	27.5 Å²	27.5	7%	0.067	15%	0.147	C	C	.	.			trans	29.5	137.4	177.9	65	0	0	0	0	124.9	Y12 L14 V16 D118	Y12-T32 HydrophobicContact CD1-CG2 3.83Å; Y12-T32 HydrophobicContact CE1-CG2 3.78Å; L14-T32 PolarHBondContact O-OG1 3.23Å; V16-T32 WeakPolarHBondContact CA-O 3.28Å; V16-T32 WeakPolarHBondContact CB-O 3.31Å; V16-T32 WeakPolarHBondContact CG2-O 3.1Å; V16-T32 PolarHBondContact N-O 3.13Å; T32-D118 WeakPolarHBondContact CA-O 3.45Å; T32-D118 WeakPolarHBondContact CB-O 3.34Å; T32-D118 HydrophobicContact CG2-CB 3.78Å; T32-D118 VanDerWaalsContact CG2-N 3.29Å; T32-D118 VanDerWaalsContact CG2-O 3.23Å; T32-D118 WeakPolarHBondContact CG2-O 3.24Å
33	L	40.8	Very low	65.1	Low	7 Å²	7	28 Å²	28	4%	0.037	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	156.9	-173.9	-80.9	161.2	0	0	0	116.9	V16 G18 G23 L24 A27 L105 D118 Y119 M120	V16-L33 HydrophobicContact CB-CD2 3.52Å; V16-L33 HydrophobicContact CB-CG 4.11Å; V16-L33 HydrophobicContact CG1-CD2 3.39Å; V16-L33 HydrophobicContact CG1-CG 4.43Å; V16-L33 WeakPolarHBondContact O-CA 3.49Å; G18-L33 VanDerWaalsContact O-CD2 3.24Å; G18-L33 WeakPolarHBondContact O-CD2 3.47Å; G23-L33 VanDerWaalsContact C-CD2 3.45Å; L24-L33 VanDerWaalsContact CA-CD1 3.41Å; L24-L33 HydrophobicContact CB-CD1 4.22Å; L24-L33 HydrophobicContact CD2-CD1 3.52Å; L24-L33 HydrophobicContact CG-CD1 3.83Å; A27-L33 HydrophobicContact CB-CD1 3.31Å; A27-L33 HydrophobicContact CB-CD2 4.25Å; A27-L33 HydrophobicContact CB-CG 3.43Å; A27-L33 VanDerWaalsContact CB-CG 3.43Å; L33-L105 HydrophobicContact CD1-CD2 4.44Å; L33-D118 PolarHBondContact N-O 3.48Å; L33-Y119 HydrophobicContact CB-CD2 4.49Å; L33-Y119 WeakPolarHBondContact O-CA 3.44Å; L33-Y119 WeakPolarHBondContact O-CD2 3.4Å; L33-M120 PolarHBondContact O-N 3.45Å
34	G	32.5	Very low	65	Low	13 Å²	13	28.4 Å²	28.4	13%	0.134	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	146.1	162.6	0	0	0	0	0	115.5	G18 G19 M120	G18-G34 CarbonylContact C-O 3.5Å; G18-G34 WeakPolarHBondContact CA-O 3.43Å; G18-G34 PolarHBondContact N-O 3.41Å; G19-G34 PolarHBondContact N-O 3.29Å; G34-M120 WeakPolarHBondContact CA-O 3.31Å
35	S	33.2	Very low	65.1	Low	18 Å²	18	29.1 Å²	29.1	13%	0.126	16%	0.155	C	C	.	.			trans	-149	150.6	172.7	56.1	0	0	0	0	113.5	W37 N121	S35-W37 PolarHBondContact O-N 3.04Å; S35-W37 PolarHBondContact OG-O 3.13Å; S35-N121 PolarHBondContact O-OD1 3.06Å
36	K	29.1	Very low	65.2	Low	162 Å²	162	29.9 Å²	29.9	70%	0.704	16%	0.159	S	C	*	.	S	Bend	trans	-74.2	-17.2	-177.7	-168.1	173.6	-178.8	174.7	0	115.5
37	W	42.8	Very low	65.4	Low	144 Å²	144	30.6 Å²	30.6	55%	0.545	17%	0.166	S	C	.	.	S	Bend	trans	-109.7	174.7	175.6	-57.5	100.2	0	0	0	109.4	S35 L39	S35-W37 PolarHBondContact O-N 3.04Å; S35-W37 PolarHBondContact OG-O 3.13Å; W37-L39 PolarHBondContact O-N 3.27Å
38	G	51.1	Low	65.7	Low	33 Å²	33	33.1 Å²	33.1	34%	0.34	18%	0.183	S	C	.	.	S	Bend	trans	-44.3	138.8	167.4	0	0	0	0	0	111.3	G40 N45	G38-G40 PolarHBondContact O-N 3.45Å; G38-N45 PolarHBondContact O-ND2 3.15Å
39	L	72.2	Confident	66.4	Low	7 Å²	7	33.1 Å²	33.1	4%	0.037	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	126.2	-176	-173.6	65.9	0	0	0	111.1	L24 W37 N98 H101 R102 L105 Y119	L24-L39 HydrophobicContact CD1-CD1 4.33Å; L24-L39 HydrophobicContact CD1-CG 4.23Å; L24-L39 HydrophobicContact CD2-CD1 3.81Å; L24-L39 HydrophobicContact CD2-CD2 4.24Å; L24-L39 HydrophobicContact CD2-CG 4Å; L24-L39 HydrophobicContact CG-CD1 4.36Å; W37-L39 PolarHBondContact O-N 3.27Å; L39-N98 PolarHBondContact O-OD1 3.06Å; L39-H101 VanDerWaalsContact CD2-C 3.5Å; L39-H101 HydrophobicContact CD2-CB 3.65Å; L39-H101 HydrophobicContact CG-CB 3.94Å; L39-R102 HydrophobicContact CD2-CB 4.12Å; L39-L105 HydrophobicContact CD1-CD1 4.12Å; L39-L105 HydrophobicContact CD2-CD1 3.46Å; L39-L105 VanDerWaalsContact CD2-CD1 3.46Å; L39-L105 HydrophobicContact CD2-CG 4.2Å; L39-L105 HydrophobicContact CG-CD1 4.38Å; L39-Y119 HydrophobicContact CD1-CD2 4.04Å; L39-Y119 HydrophobicContact CD1-CE2 3.6Å
40	G	70.3	Confident	67.2	Low	1 Å²	1	31.4 Å²	31.4	1%	0.01	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	138.9	-23.2	-176.2	0	0	0	0	0	113.9	G19 G38	G19-G40 CarbonylContact O-C 3.54Å; G19-G40 WeakPolarHBondContact O-CA 3.19Å; G19-G40 PolarHBondContact O-N 3.33Å; G38-G40 PolarHBondContact O-N 3.45Å
41	G	81.1	Confident	69.1	Low	14 Å²	14	32.4 Å²	32.4	14%	0.144	18%	0.181	C	C	.	.	H	α-helix	trans	72	-161.3	179.5	0	0	0	0	0	114.5	G19 C43 V44 N45	G19-G41 PolarHBondContact O-N 3.49Å; G41-C43 PolarHBondContact O-N 2.87Å; G41-V44 PolarHBondContact O-N 3.17Å; G41-N45 PolarHBondContact O-N 3.01Å; G41-N45 PolarHBondContact O-ND2 3.16Å
42	T	84.4	Confident	71.1	Confident	42 Å²	42	36.2 Å²	36.2	26%	0.258	20%	0.197	S	C	.	.	H	α-helix	trans	-58	-47.5	-173.5	-57.3	0	0	0	0	112.4	V44 N45 V46 G47	T42-V44 VanDerWaalsContact C-N 3.34Å; T42-V44 PolarHBondContact O-N 3.42Å; T42-N45 PolarHBondContact O-N 3.13Å; T42-V46 HydrophobicContact CG2-CG2 4.06Å; T42-V46 CarbonylContact O-C 3.56Å; T42-V46 VanDerWaalsContact O-C 3.24Å; T42-V46 PolarHBondContact O-N 2.86Å; T42-G47 WeakPolarHBondContact O-CA 3.2Å; T42-G47 PolarHBondContact O-N 3.4Å
43	C	88.1	Confident	73.7	Confident	15 Å²	15	38.8 Å²	38.8	10%	0.101	21%	0.21	C	C	.	.	H	α-helix	trans	-54	-47.7	-177.5	179.9	0	0	0	0	113.2	S21 G41 G47 C48 I49 T361	S21-C43 WeakPolarHBondContact OG-CB 3.31Å; G41-C43 PolarHBondContact O-N 2.87Å; C43-G47 CarbonylContact O-C 3.2Å; C43-C48 PolarHBondContact O-N 3.12Å; C43-C48 VanDerWaalsContact O-N 3.17Å; C43-C48 WeakPolarHBondContact SG-CB 3.48Å; C43-I49 PolarHBondContact O-N 3.35Å; C43-T361 HydrophobicContact CB-CG2 4.22Å; C43-T361 VanDerWaalsContact CB-OG1 3.23Å; C43-T361 WeakPolarHBondContact CB-OG1 3.19Å; C43-T361 PolarHBondContact SG-OG1 3.34Å
44	V	87.6	Confident	76.4	Confident	10 Å²	10	38.5 Å²	38.5	6%	0.061	21%	0.208	C	C	.	.	H	α-helix	trans	-74	-45.5	-175.9	175.2	0	0	0	0	111.1	G41 T42 I94 L97 N98	G41-V44 PolarHBondContact O-N 3.17Å; T42-V44 VanDerWaalsContact C-N 3.34Å; T42-V44 PolarHBondContact O-N 3.42Å; V44-I94 HydrophobicContact CG1-CG2 4.48Å; V44-I94 WeakPolarHBondContact O-CG1 3.22Å; V44-L97 HydrophobicContact CG1-CB 3.81Å; V44-L97 HydrophobicContact CG1-CD1 4.02Å; V44-N98 WeakPolarHBondContact CG1-OD1 3.19Å
45	N	88.5	Confident	79.4	Confident	22 Å²	22	38 Å²	38	12%	0.118	20%	0.202	C	C	.	.	H	α-helix	trans	-92.8	-38	-167.8	-64.5	-82.8	0	0	0	114	G38 G41 T42 N98	G38-N45 PolarHBondContact O-ND2 3.15Å; G41-N45 PolarHBondContact O-N 3.01Å; G41-N45 PolarHBondContact O-ND2 3.16Å; T42-N45 PolarHBondContact O-N 3.13Å; N45-N98 PolarHBondContact OD1-ND2 3.39Å; N45-N98 PolarHBondContact OD1-OD1 3.5Å
46	V	89.7	Confident	82.5	Confident	25 Å²	25	41.7 Å²	41.7	15%	0.152	22%	0.218	C	C	.	.	H	α-helix	trans	-146.5	30.7	-167	-66	0	0	0	0	112.7	T42 D171 F174	T42-V46 HydrophobicContact CG2-CG2 4.06Å; T42-V46 CarbonylContact O-C 3.56Å; T42-V46 VanDerWaalsContact O-C 3.24Å; T42-V46 PolarHBondContact O-N 2.86Å; V46-D171 VanDerWaalsContact CG1-O 3.32Å; V46-D171 WeakPolarHBondContact CG1-O 3.14Å; V46-F174 HydrophobicContact CB-CD2 4.25Å; V46-F174 WeakPolarHBondContact O-CE2 3.46Å
47	G	90.1	Very high	85.7	Confident	16 Å²	16	34.9 Å²	34.9	17%	0.165	19%	0.191	C	C	.	.	S	Bend	trans	-147	-129.5	-170.2	0	0	0	0	0	111.3	T42 C43 I49 P50 K51	T42-G47 WeakPolarHBondContact O-CA 3.2Å; T42-G47 PolarHBondContact O-N 3.4Å; C43-G47 CarbonylContact O-C 3.2Å; G47-I49 VanDerWaalsContact C-N 3.32Å; G47-I49 PolarHBondContact O-N 2.78Å; G47-P50 WeakPolarHBondContact O-CD 3.32Å; G47-P50 WeakPolarHBondContact O-CG 3.34Å; G47-K51 WeakPolarHBondContact O-CB 3.36Å; G47-K51 PolarHBondContact O-N 3.48Å
48	C	91.2	Very high	88.2	Confident	55 Å²	55	28.3 Å²	28.3	37%	0.372	17%	0.168	S	C	.	.	H	α-helix	trans	-53.8	-42.8	-169.5	-45.6	0	0	0	0	114.1	C43 K52	C43-C48 PolarHBondContact O-N 3.12Å; C43-C48 VanDerWaalsContact O-N 3.17Å; C43-C48 WeakPolarHBondContact SG-CB 3.48Å; C48-K52 VanDerWaalsContact O-CB 3.29Å; C48-K52 WeakPolarHBondContact O-CB 3.38Å; C48-K52 PolarHBondContact O-N 2.82Å
49	I	93.9	Very high	90.2	Very high	50 Å²	50	28.9 Å²	28.9	26%	0.256	16%	0.163	S	C	.	.	H	α-helix	trans	-65.7	-62.9	-176.7	-60.4	-59.9	0	0	0	111.5	C43 G47 K51 K52 L53 L97	C43-I49 PolarHBondContact O-N 3.35Å; G47-I49 VanDerWaalsContact C-N 3.32Å; G47-I49 PolarHBondContact O-N 2.78Å; I49-K51 VanDerWaalsContact C-N 3.29Å; I49-K51 PolarHBondContact O-N 2.81Å; I49-K52 PolarHBondContact O-N 3.13Å; I49-L53 HydrophobicContact CG2-CD1 4.11Å; I49-L53 WeakPolarHBondContact O-CG 3.06Å; I49-L53 PolarHBondContact O-N 2.8Å; I49-L53 VanDerWaalsContact O-N 3.08Å; I49-L97 HydrophobicContact CD1-CD1 4.46Å; I49-L97 HydrophobicContact CG1-CD1 4.11Å; I49-L97 HydrophobicContact CG2-CD1 3.91Å
50	P	95.1	Very high	91.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.6	-38	177.9	22.4	-32.5	0	0	0	112.1	G47 K52 L53 M54 V90 I94 F174	G47-P50 WeakPolarHBondContact O-CD 3.32Å; G47-P50 WeakPolarHBondContact O-CG 3.34Å; P50-K52 PolarHBondContact O-N 3.04Å; P50-L53 PolarHBondContact O-N 3.24Å; P50-M54 WeakPolarHBondContact O-CB 3.49Å; P50-M54 WeakPolarHBondContact O-CG 3.41Å; P50-M54 PolarHBondContact O-N 2.84Å; P50-V90 HydrophobicContact CB-CG1 3.73Å; P50-I94 HydrophobicContact CB-CD1 4.07Å; P50-I94 HydrophobicContact CG-CD1 4.19Å; P50-F174 HydrophobicContact CB-CB 3.79Å; P50-F174 HydrophobicContact CB-CD1 3.63Å; P50-F174 HydrophobicContact CB-CD2 4.15Å; P50-F174 HydrophobicContact CB-CE1 4.23Å; P50-F174 HydrophobicContact CB-CG 3.58Å; P50-F174 HydrophobicContact CG-CB 4.18Å; P50-F174 HydrophobicContact CG-CD1 4.18Å; P50-F174 HydrophobicContact CG-CD2 3.83Å; P50-F174 HydrophobicContact CG-CE2 4.23Å; P50-F174 HydrophobicContact CG-CG 3.79Å
51	K	93.8	Very high	92.3	Very high	23 Å²	23	35.1 Å²	35.1	10%	0.1	20%	0.195	C	C	.	.	H	α-helix	trans	-56.7	-49.1	176.2	178.9	-91.1	-62.6	-91.9	0	112	G47 I49 M54 H55 F174 E218 F393	G47-K51 WeakPolarHBondContact O-CB 3.36Å; G47-K51 PolarHBondContact O-N 3.48Å; I49-K51 VanDerWaalsContact C-N 3.29Å; I49-K51 PolarHBondContact O-N 2.81Å; K51-M54 PolarHBondContact O-N 3Å; K51-H55 VanDerWaalsContact O-CB 3.32Å; K51-H55 WeakPolarHBondContact O-CB 3.09Å; K51-H55 PolarHBondContact O-N 2.77Å; K51-F174 HydrophobicContact CB-CE1 4.16Å; K51-F174 HydrophobicContact CB-CZ 3.91Å; K51-E218 HydrophobicContact CD-CB 4.48Å; K51-E218 HydrophobicContact CG-CB 4.41Å; K51-E218 IonicContact NZ-OE1 2.68Å; K51-E218 PolarHBondContact NZ-OE1 2.73Å; K51-E218 IonicContact NZ-OE2 2.88Å; K51-E218 PolarHBondContact NZ-OE2 3.18Å; K51-F393 HydrophobicContact CD-CB 4.09Å; K51-F393 HydrophobicContact CD-CD2 4.22Å; K51-F393 HydrophobicContact CD-CG 4.5Å
52	K	95.7	Very high	92.8	Very high	92 Å²	92	37.4 Å²	37.4	40%	0.4	20%	0.202	S	C	.	.	H	α-helix	trans	-69.9	-33.5	-178.6	-162.2	178.5	-175.2	-167.9	0	111.6	C48 I49 P50 Q56 F393 E465	C48-K52 VanDerWaalsContact O-CB 3.29Å; C48-K52 WeakPolarHBondContact O-CB 3.38Å; C48-K52 PolarHBondContact O-N 2.82Å; I49-K52 PolarHBondContact O-N 3.13Å; P50-K52 PolarHBondContact O-N 3.04Å; K52-Q56 WeakPolarHBondContact O-CB 3.39Å; K52-Q56 PolarHBondContact O-N 3.46Å; K52-F393 HydrophobicContact CD-CE1 4.36Å; K52-F393 HydrophobicContact CD-CZ 4.38Å; K52-E465 IonicContact NZ-OE1 3.89Å
53	L	97.5	Very high	93.1	Very high	65 Å²	65	38.6 Å²	38.6	34%	0.34	21%	0.212	S	C	.	.	H	α-helix	trans	-68.9	-41.3	174.5	-67.4	173.8	0	0	0	112.5	I49 P50 Q56 A57 V90 H93	I49-L53 HydrophobicContact CG2-CD1 4.11Å; I49-L53 WeakPolarHBondContact O-CG 3.06Å; I49-L53 PolarHBondContact O-N 2.8Å; I49-L53 VanDerWaalsContact O-N 3.08Å; P50-L53 PolarHBondContact O-N 3.24Å; L53-Q56 PolarHBondContact O-N 3.15Å; L53-A57 PolarHBondContact O-N 3.04Å; L53-V90 HydrophobicContact CB-CG2 3.94Å; L53-V90 HydrophobicContact CD1-CG1 4.32Å; L53-V90 HydrophobicContact CD1-CG2 4.26Å; L53-H93 HydrophobicContact CD1-CB 4.42Å
54	M	96.4	Very high	93.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-42.1	173.6	-66.7	-66.6	-172.7	0	0	111.2	P50 K51 A57 A58 W83 L86 V90 F174 F222	P50-M54 WeakPolarHBondContact O-CB 3.49Å; P50-M54 WeakPolarHBondContact O-CG 3.41Å; P50-M54 PolarHBondContact O-N 2.84Å; K51-M54 PolarHBondContact O-N 3Å; M54-A57 PolarHBondContact O-N 2.75Å; M54-A58 PolarHBondContact O-N 3.23Å; M54-W83 HydrophobicContact CE-CH2 4.42Å; M54-L86 HydrophobicContact CE-CG 4.43Å; M54-L86 HydrophobicContact SD-CD1 4.23Å; M54-L86 HydrophobicContact SD-CD2 3.55Å; M54-L86 VanDerWaalsContact SD-CD2 3.55Å; M54-L86 HydrophobicContact SD-CG 3.8Å; M54-V90 HydrophobicContact CE-CG2 4.23Å; M54-V90 HydrophobicContact SD-CG2 4.43Å; M54-F174 HydrophobicContact CG-CD1 4.09Å; M54-F174 HydrophobicContact CG-CE1 4.35Å; M54-F222 HydrophobicContact CB-CD1 4.23Å; M54-F222 HydrophobicContact CB-CD2 3.8Å; M54-F222 HydrophobicContact CB-CE1 4.34Å; M54-F222 HydrophobicContact CB-CE2 3.98Å; M54-F222 HydrophobicContact CB-CG 3.97Å; M54-F222 HydrophobicContact CB-CZ 4.25Å; M54-F222 HydrophobicContact CG-CE2 4.33Å
55	H	95.9	Very high	93.3	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.014	24%	0.244	C	C	.	.	H	α-helix	trans	-59.1	-43.9	171.8	175.9	62.1	0	0	0	111.9	K51 A57 A58 L59 F222 F393 T394 E397	K51-H55 VanDerWaalsContact O-CB 3.32Å; K51-H55 WeakPolarHBondContact O-CB 3.09Å; K51-H55 PolarHBondContact O-N 2.77Å; H55-A57 VanDerWaalsContact C-N 3.34Å; H55-A57 PolarHBondContact O-N 2.97Å; H55-A58 WeakPolarHBondContact O-CA 3.47Å; H55-A58 WeakPolarHBondContact O-CB 3.49Å; H55-A58 PolarHBondContact O-N 3.1Å; H55-A58 VanDerWaalsContact O-N 3.11Å; H55-L59 WeakPolarHBondContact NE2-CD1 3.48Å; H55-L59 WeakPolarHBondContact O-CG 3.31Å; H55-L59 PolarHBondContact O-N 3.2Å; H55-F222 HydrophobicContact CB-CB 4.47Å; H55-F393 PolarHBondContact ND1-O 3.29Å; H55-T394 PolarHBondContact CE1-O 2.61Å; H55-T394 VanDerWaalsContact CE1-O 3.26Å; H55-E397 IonicContact CD2-OE1 2.99Å; H55-E397 IonicContact CE1-OE1 3.93Å; H55-E397 IonicContact NE2-OE1 2.61Å; H55-E397 PolarHBondContact NE2-OE1 3.17Å
56	Q	97.7	Very high	93.5	Very high	96 Å²	96	45.8 Å²	45.8	45%	0.449	24%	0.244	S	C	.	.	H	α-helix	trans	-60.9	-42.3	175.4	-178.5	60.3	25.6	0	0	112	K52 L53 A58 L59 L60	K52-Q56 WeakPolarHBondContact O-CB 3.39Å; K52-Q56 PolarHBondContact O-N 3.46Å; L53-Q56 PolarHBondContact O-N 3.15Å; Q56-A58 VanDerWaalsContact C-N 3.27Å; Q56-A58 PolarHBondContact O-N 2.93Å; Q56-L59 PolarHBondContact O-N 3.4Å; Q56-L60 WeakPolarHBondContact O-CG 3.27Å; Q56-L60 PolarHBondContact O-N 2.95Å
57	A	96.6	Very high	93.7	Very high	18 Å²	18	45.4 Å²	45.4	15%	0.149	24%	0.243	C	C	.	.	H	α-helix	trans	-61.5	-37.2	174.8	0	0	0	0	0	112	L53 M54 H55 L60 N61 L86 L226	L53-A57 PolarHBondContact O-N 3.04Å; M54-A57 PolarHBondContact O-N 2.75Å; H55-A57 VanDerWaalsContact C-N 3.34Å; H55-A57 PolarHBondContact O-N 2.97Å; A57-L60 PolarHBondContact O-N 3.28Å; A57-N61 PolarHBondContact O-N 3.19Å; A57-L86 HydrophobicContact CB-CD1 3.74Å; A57-L86 HydrophobicContact CB-CD2 4.11Å; A57-L226 HydrophobicContact CB-CD2 3.64Å
58	A	94.8	Very high	93.8	Very high	6 Å²	6	49.4 Å²	49.4	5%	0.05	26%	0.258	C	S	.	.	H	α-helix	trans	-67.4	-41.5	174.5	0	0	0	0	0	112.4	M54 H55 Q56 N61 Q62 F222 L226	M54-A58 PolarHBondContact O-N 3.23Å; H55-A58 WeakPolarHBondContact O-CA 3.47Å; H55-A58 WeakPolarHBondContact O-CB 3.49Å; H55-A58 PolarHBondContact O-N 3.1Å; H55-A58 VanDerWaalsContact O-N 3.11Å; Q56-A58 VanDerWaalsContact C-N 3.27Å; Q56-A58 PolarHBondContact O-N 2.93Å; A58-N61 WeakPolarHBondContact O-CB 3.47Å; A58-N61 PolarHBondContact O-N 2.94Å; A58-Q62 PolarHBondContact O-N 3.46Å; A58-F222 HydrophobicContact CB-CB 4.02Å; A58-F222 WeakPolarHBondContact CB-O 3.44Å; A58-L226 HydrophobicContact CB-CD2 4.1Å; A58-L226 HydrophobicContact CB-CG 4.24Å
59	L	94.4	Very high	93.9	Very high	46 Å²	46	49.2 Å²	49.2	24%	0.241	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-39.6	174.4	-69.3	-178.4	0	0	0	112	H55 Q56 N61 Q62 S63	H55-L59 WeakPolarHBondContact NE2-CD1 3.48Å; H55-L59 WeakPolarHBondContact O-CG 3.31Å; H55-L59 PolarHBondContact O-N 3.2Å; Q56-L59 PolarHBondContact O-N 3.4Å; L59-N61 VanDerWaalsContact C-N 3.28Å; L59-N61 PolarHBondContact O-N 3.29Å; L59-Q62 CarbonylContact O-C 3.46Å; L59-Q62 WeakPolarHBondContact O-CA 3.31Å; L59-Q62 WeakPolarHBondContact O-CB 3.41Å; L59-Q62 PolarHBondContact O-N 3.17Å; L59-S63 PolarHBondContact O-N 3.38Å; L59-S63 PolarHBondContact O-OG 3.05Å
60	L	94.4	Very high	94	Very high	91 Å²	91	52 Å²	52	48%	0.476	27%	0.271	S	S	.	.	H	α-helix	trans	-59.9	-37.5	176.4	-75.2	171.2	0	0	0	112.3	Q56 A57 Q62 S63 L64	Q56-L60 WeakPolarHBondContact O-CG 3.27Å; Q56-L60 PolarHBondContact O-N 2.95Å; A57-L60 PolarHBondContact O-N 3.28Å; L60-Q62 VanDerWaalsContact C-N 3.29Å; L60-Q62 PolarHBondContact O-N 2.96Å; L60-S63 PolarHBondContact O-N 2.84Å; L60-L64 WeakPolarHBondContact O-CG 3.48Å; L60-L64 PolarHBondContact O-N 3.32Å
61	N	91.9	Very high	94	Very high	47 Å²	47	54.8 Å²	54.8	25%	0.251	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-40.4	173.6	-174.1	32.8	0	0	0	111.6	A57 A58 L59 K65 G225	A57-N61 PolarHBondContact O-N 3.19Å; A58-N61 WeakPolarHBondContact O-CB 3.47Å; A58-N61 PolarHBondContact O-N 2.94Å; L59-N61 VanDerWaalsContact C-N 3.28Å; L59-N61 PolarHBondContact O-N 3.29Å; N61-K65 WeakPolarHBondContact O-CG 3.36Å; N61-K65 PolarHBondContact O-N 3.37Å; N61-G225 WeakPolarHBondContact CB-O 3.16Å; N61-G225 PolarHBondContact ND2-O 3.37Å
62	Q	90.5	Very high	94	Very high	62 Å²	62	61.4 Å²	61.4	29%	0.29	32%	0.323	S	S	.	.	H	α-helix	trans	-67.4	-42.2	174	-173.3	60.9	51.2	0	0	111.8	A58 L59 L60 L64 K65 D66 R434	A58-Q62 PolarHBondContact O-N 3.46Å; L59-Q62 CarbonylContact O-C 3.46Å; L59-Q62 WeakPolarHBondContact O-CA 3.31Å; L59-Q62 WeakPolarHBondContact O-CB 3.41Å; L59-Q62 PolarHBondContact O-N 3.17Å; L60-Q62 VanDerWaalsContact C-N 3.29Å; L60-Q62 PolarHBondContact O-N 2.96Å; Q62-L64 VanDerWaalsContact C-N 3.29Å; Q62-L64 PolarHBondContact O-N 2.89Å; Q62-K65 WeakPolarHBondContact O-CB 3.27Å; Q62-K65 PolarHBondContact O-N 2.82Å; Q62-K65 VanDerWaalsContact O-N 3.16Å; Q62-D66 PolarHBondContact NE2-OD1 3.19Å; Q62-D66 VanDerWaalsContact O-CG 3.29Å; Q62-D66 PolarHBondContact O-N 3.32Å; Q62-R434 VanDerWaalsContact CG-NH1 3.28Å
63	S	92.5	Very high	93.7	Very high	67 Å²	67	65.8 Å²	65.8	47%	0.469	35%	0.345	S	S	.	.	H	α-helix	trans	-61.1	-35.9	176.4	-59.6	0	0	0	0	112.9	L59 L60 K65 D66 A67	L59-S63 PolarHBondContact O-N 3.38Å; L59-S63 PolarHBondContact O-OG 3.05Å; L60-S63 PolarHBondContact O-N 2.84Å; S63-K65 VanDerWaalsContact C-N 3.35Å; S63-D66 PolarHBondContact O-N 3.35Å; S63-A67 VanDerWaalsContact O-CB 3.27Å; S63-A67 WeakPolarHBondContact O-CB 3.33Å; S63-A67 PolarHBondContact O-N 3.42Å
64	L	90.4	Very high	93	Very high	68 Å²	68	66 Å²	66	36%	0.356	34%	0.344	S	S	.	.	H	α-helix	trans	-65	-37.4	175.1	-74.2	172	0	0	0	112.4	L60 Q62 L76	L60-L64 WeakPolarHBondContact O-CG 3.48Å; L60-L64 PolarHBondContact O-N 3.32Å; Q62-L64 VanDerWaalsContact C-N 3.29Å; Q62-L64 PolarHBondContact O-N 2.89Å; L64-L76 HydrophobicContact CB-CD2 4.39Å
65	K	88.9	Confident	92.2	Very high	108 Å²	108	71 Å²	71	47%	0.47	37%	0.37	S	S	.	.	H	α-helix	trans	-68	-45	173.2	-65	171.7	-175.7	174.9	0	111.1	N61 Q62 S63 A67 E68	N61-K65 WeakPolarHBondContact O-CG 3.36Å; N61-K65 PolarHBondContact O-N 3.37Å; Q62-K65 WeakPolarHBondContact O-CB 3.27Å; Q62-K65 PolarHBondContact O-N 2.82Å; Q62-K65 VanDerWaalsContact O-N 3.16Å; S63-K65 VanDerWaalsContact C-N 3.35Å; K65-A67 PolarHBondContact O-N 2.9Å; K65-E68 PolarHBondContact O-N 2.92Å
66	D	92.6	Very high	91	Very high	23 Å²	23	72.9 Å²	72.9	12%	0.123	38%	0.38	C	S	.	.	H	α-helix	trans	-64.3	-33.7	179.8	-65.1	-6.7	0	0	0	110.6	Q62 S63 E68 A69 F70 P432 R434	Q62-D66 PolarHBondContact NE2-OD1 3.19Å; Q62-D66 VanDerWaalsContact O-CG 3.29Å; Q62-D66 PolarHBondContact O-N 3.32Å; S63-D66 PolarHBondContact O-N 3.35Å; D66-E68 VanDerWaalsContact C-N 3.3Å; D66-E68 PolarHBondContact O-N 2.84Å; D66-A69 WeakPolarHBondContact O-CB 2.99Å; D66-A69 PolarHBondContact O-N 2.92Å; D66-A69 VanDerWaalsContact O-N 3.09Å; D66-F70 WeakPolarHBondContact O-CD2 3.37Å; D66-F70 PolarHBondContact O-N 3.44Å; D66-P432 HydrophobicContact CB-CB 4.02Å; D66-P432 HydrophobicContact CB-CG 4.21Å; D66-R434 WeakPolarHBondContact OD2-CD 3.24Å; D66-R434 IonicContact OD2-CZ 3.6Å; D66-R434 IonicContact OD2-NH1 3.81Å; D66-R434 PolarHBondContact OD2-NH1 2.98Å
67	A	93.9	Very high	89.3	Confident	16 Å²	16	78.1 Å²	78.1	13%	0.132	40%	0.401	C	S	.	.	H	α-helix	trans	-59.1	-33.2	-179.5	0	0	0	0	0	114	S63 K65 A69 F70 G71 W72 F74	S63-A67 VanDerWaalsContact O-CB 3.27Å; S63-A67 WeakPolarHBondContact O-CB 3.33Å; S63-A67 PolarHBondContact O-N 3.42Å; K65-A67 PolarHBondContact O-N 2.9Å; A67-A69 VanDerWaalsContact C-N 3.28Å; A67-A69 PolarHBondContact O-N 3.3Å; A67-F70 CarbonylContact O-C 3.49Å; A67-F70 WeakPolarHBondContact O-CA 3.39Å; A67-F70 PolarHBondContact O-N 2.83Å; A67-G71 PolarHBondContact O-N 2.98Å; A67-W72 HydrophobicContact CB-CB 4.07Å; A67-W72 HydrophobicContact CB-CG 4.03Å; A67-W72 WeakPolarHBondContact O-CB 2.86Å; A67-W72 PolarHBondContact O-N 2.76Å; A67-W72 VanDerWaalsContact O-N 3.09Å; A67-F74 HydrophobicContact CB-CE2 3.93Å; A67-F74 HydrophobicContact CB-CZ 4.48Å
68	E	91.6	Very high	87.5	Confident	101 Å²	101	81.3 Å²	81.3	47%	0.472	42%	0.423	S	S	.	.	H	α-helix	trans	-60.1	-39.9	175.6	-68	-171.8	160.7	0	0	111.6	K65 D66 F70 G71 L76	K65-E68 PolarHBondContact O-N 2.92Å; D66-E68 VanDerWaalsContact C-N 3.3Å; D66-E68 PolarHBondContact O-N 2.84Å; E68-F70 PolarHBondContact O-N 2.87Å; E68-G71 PolarHBondContact O-N 2.93Å; E68-L76 HydrophobicContact CG-CD1 3.98Å; E68-L76 WeakPolarHBondContact OE1-CD1 3.42Å; E68-L76 WeakPolarHBondContact OE1-CG 3.2Å
69	A	93.8	Very high	86.1	Confident	50 Å²	50	86.5 Å²	86.5	41%	0.413	44%	0.444	S	S	.	.	H	α-helix	trans	-68	-24	176.5	0	0	0	0	0	112.8	D66 A67 G71 V431 P432	D66-A69 WeakPolarHBondContact O-CB 2.99Å; D66-A69 PolarHBondContact O-N 2.92Å; D66-A69 VanDerWaalsContact O-N 3.09Å; A67-A69 VanDerWaalsContact C-N 3.28Å; A67-A69 PolarHBondContact O-N 3.3Å; A69-G71 VanDerWaalsContact C-N 3.28Å; A69-V431 HydrophobicContact CB-CG1 4.22Å; A69-V431 WeakPolarHBondContact O-CG1 3.48Å; A69-P432 HydrophobicContact CB-CB 3.98Å
70	F	95.9	Very high	85.2	Confident	110 Å²	110	92 Å²	92	48%	0.482	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	12.7	172.9	-73.8	-83.1	0	0	0	113.4	D66 A67 E68 V431 P432	D66-F70 WeakPolarHBondContact O-CD2 3.37Å; D66-F70 PolarHBondContact O-N 3.44Å; A67-F70 CarbonylContact O-C 3.49Å; A67-F70 WeakPolarHBondContact O-CA 3.39Å; A67-F70 PolarHBondContact O-N 2.83Å; E68-F70 PolarHBondContact O-N 2.87Å; F70-V431 HydrophobicContact CD1-CB 4.3Å; F70-V431 HydrophobicContact CD1-CG1 3.95Å; F70-V431 HydrophobicContact CD1-CG2 4.44Å; F70-V431 HydrophobicContact CD2-CG1 4.3Å; F70-V431 HydrophobicContact CE1-CB 3.71Å; F70-V431 HydrophobicContact CE1-CG1 3.89Å; F70-V431 HydrophobicContact CE1-CG2 3.67Å; F70-V431 HydrophobicContact CE2-CB 4.02Å; F70-V431 HydrophobicContact CE2-CG1 4.24Å; F70-V431 HydrophobicContact CG-CG1 4.17Å; F70-V431 HydrophobicContact CZ-CB 3.56Å; F70-V431 HydrophobicContact CZ-CG1 4.04Å; F70-V431 HydrophobicContact CZ-CG2 3.88Å; F70-P432 HydrophobicContact CE2-CG 4.33Å
71	G	95	Very high	84.9	Confident	58 Å²	58	90.1 Å²	90.1	60%	0.598	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	5.4	172.2	0	0	0	0	0	115	A67 E68 A69	A67-G71 PolarHBondContact O-N 2.98Å; E68-G71 PolarHBondContact O-N 2.93Å; A69-G71 VanDerWaalsContact C-N 3.28Å
72	W	94.3	Very high	85	Confident	161 Å²	161	91.1 Å²	91.1	61%	0.61	47%	0.467	S	S	*	.			trans	-72.3	136.1	172.8	-68.8	89.2	0	0	0	111.3	A67 F74	A67-W72 HydrophobicContact CB-CB 4.07Å; A67-W72 HydrophobicContact CB-CG 4.03Å; A67-W72 WeakPolarHBondContact O-CB 2.86Å; A67-W72 PolarHBondContact O-N 2.76Å; A67-W72 VanDerWaalsContact O-N 3.09Å; W72-F74 HydrophobicContact CB-CD2 4.19Å; W72-F74 HydrophobicContact CB-CE1 4.05Å; W72-F74 HydrophobicContact CB-CE2 3.32Å; W72-F74 HydrophobicContact CB-CZ 3.26Å; W72-F74 HydrophobicContact CD2-CE1 4.26Å; W72-F74 AromaticContact CD2-CZ 3.71Å; W72-F74 HydrophobicContact CD2-CZ 3.71Å; W72-F74 AromaticContact CE3-CE1 3.65Å; W72-F74 HydrophobicContact CE3-CE1 3.65Å; W72-F74 AromaticContact CE3-CZ 3.59Å; W72-F74 HydrophobicContact CE3-CZ 3.59Å; W72-F74 HydrophobicContact CG-CE1 4.47Å; W72-F74 HydrophobicContact CG-CE2 4.06Å; W72-F74 AromaticContact CG-CZ 3.63Å; W72-F74 HydrophobicContact CG-CZ 3.63Å; W72-F74 HydrophobicContact CZ3-CE1 4.47Å
73	Q	88.6	Confident	85.2	Confident	185 Å²	185	88.6 Å²	88.6	86%	0.864	46%	0.455	S	S	*	.			trans	-110.5	115.9	178.2	-63.4	-177.9	3.1	0	0	109.8
74	F	83.6	Confident	85.3	Confident	70 Å²	70	89.6 Å²	89.6	31%	0.307	45%	0.452	S	S	.	.			trans	-141.4	153.2	171.9	-30.6	-78.2	0	0	0	109.3	A67 W72 L76	A67-F74 HydrophobicContact CB-CE2 3.93Å; A67-F74 HydrophobicContact CB-CZ 4.48Å; W72-F74 HydrophobicContact CB-CD2 4.19Å; W72-F74 HydrophobicContact CB-CE1 4.05Å; W72-F74 HydrophobicContact CB-CE2 3.32Å; W72-F74 HydrophobicContact CB-CZ 3.26Å; W72-F74 HydrophobicContact CD2-CE1 4.26Å; W72-F74 AromaticContact CD2-CZ 3.71Å; W72-F74 HydrophobicContact CD2-CZ 3.71Å; W72-F74 AromaticContact CE3-CE1 3.65Å; W72-F74 HydrophobicContact CE3-CE1 3.65Å; W72-F74 AromaticContact CE3-CZ 3.59Å; W72-F74 HydrophobicContact CE3-CZ 3.59Å; W72-F74 HydrophobicContact CG-CE1 4.47Å; W72-F74 HydrophobicContact CG-CE2 4.06Å; W72-F74 AromaticContact CG-CZ 3.63Å; W72-F74 HydrophobicContact CG-CZ 3.63Å; W72-F74 HydrophobicContact CZ3-CE1 4.47Å; F74-L76 HydrophobicContact CB-CD2 4.35Å; F74-L76 HydrophobicContact CD2-CD2 4.29Å; F74-L76 PolarHBondContact O-N 2.63Å
75	D	78.8	Confident	85.6	Confident	105 Å²	105	93.7 Å²	93.7	56%	0.561	47%	0.467	S	S	*	.			trans	-80	95.5	162	-178.7	15.7	0	0	0	109.3	K77 K79	D75-K77 VanDerWaalsContact C-N 3.31Å; D75-K77 WeakPolarHBondContact OD1-CB 3.5Å; D75-K77 PolarHBondContact OD1-N 2.97Å; D75-K77 VanDerWaalsContact OD1-N 3.13Å; D75-K79 WeakPolarHBondContact O-CE 3.39Å
76	L	70.3	Confident	85.9	Confident	42 Å²	42	89.7 Å²	89.7	22%	0.22	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-76.1	-16.9	176.5	-70	-172.3	0	0	0	113.1	L64 E68 F74 S78 K79	L64-L76 HydrophobicContact CB-CD2 4.39Å; E68-L76 HydrophobicContact CG-CD1 3.98Å; E68-L76 WeakPolarHBondContact OE1-CD1 3.42Å; E68-L76 WeakPolarHBondContact OE1-CG 3.2Å; F74-L76 HydrophobicContact CB-CD2 4.35Å; F74-L76 HydrophobicContact CD2-CD2 4.29Å; F74-L76 PolarHBondContact O-N 2.63Å; L76-S78 PolarHBondContact O-N 2.82Å; L76-K79 HydrophobicContact CD2-CD 4.15Å; L76-K79 PolarHBondContact O-N 2.83Å; L76-K79 VanDerWaalsContact O-N 3.15Å
77	K	62.7	Low	86	Confident	206 Å²	206	91.9 Å²	91.9	90%	0.896	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-66.3	-14.9	-170.2	-66.8	-176.5	178.9	177.9	0	113.7	D75	D75-K77 VanDerWaalsContact C-N 3.31Å; D75-K77 WeakPolarHBondContact OD1-CB 3.5Å; D75-K77 PolarHBondContact OD1-N 2.97Å; D75-K77 VanDerWaalsContact OD1-N 3.13Å
78	S	59.3	Low	86.2	Confident	86 Å²	86	92.3 Å²	92.3	60%	0.601	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-99.9	-3	-179.8	57.1	0	0	0	0	114.8	L76 I80	L76-S78 PolarHBondContact O-N 2.82Å; S78-I80 PolarHBondContact O-N 2.83Å
79	K	65.3	Low	86.4	Confident	115 Å²	115	90.4 Å²	90.4	50%	0.5	47%	0.465	S	S	.	.			trans	-97.1	75.8	-164.4	-60.1	-170.3	-175.3	-177.1	0	113.1	D75 L76	D75-K79 WeakPolarHBondContact O-CE 3.39Å; L76-K79 HydrophobicContact CD2-CD 4.15Å; L76-K79 PolarHBondContact O-N 2.83Å; L76-K79 VanDerWaalsContact O-N 3.15Å
80	I	75.8	Confident	86.6	Confident	160 Å²	160	88.2 Å²	88.2	82%	0.821	45%	0.447	S	S	*	.			trans	-73.9	139	161.6	-61.9	164.1	0	0	0	108.1	S78 D82	S78-I80 PolarHBondContact O-N 2.83Å; I80-D82 PolarHBondContact O-N 2.89Å
81	I	88.1	Confident	86.5	Confident	53 Å²	53	84.9 Å²	84.9	27%	0.272	43%	0.432	S	S	.	.			trans	-64.2	128.4	174	-166.9	169.5	0	0	0	110.9	W83 L86 L226 F228	I81-W83 PolarHBondContact O-N 2.68Å; I81-W83 VanDerWaalsContact O-N 3.12Å; I81-L86 HydrophobicContact CD1-CD2 3.71Å; I81-L226 HydrophobicContact CD1-CB 4.26Å; I81-L226 HydrophobicContact CD1-CD2 3.33Å; I81-L226 HydrophobicContact CD1-CG 4.2Å; I81-F228 HydrophobicContact CG2-CE2 4.42Å; I81-F228 HydrophobicContact CG2-CZ 4.24Å
82	D	93.1	Very high	86.6	Confident	67 Å²	67	86.2 Å²	86.2	36%	0.358	43%	0.426	S	S	.	.			trans	-78.8	96.3	172	-174.6	-28.2	0	0	0	109.3	I80 Q84 K85 L86	I80-D82 PolarHBondContact O-N 2.89Å; D82-Q84 VanDerWaalsContact C-N 3.26Å; D82-Q84 PolarHBondContact O-N 3.36Å; D82-Q84 PolarHBondContact OD1-N 3.43Å; D82-Q84 VanDerWaalsContact OD1-N 3.11Å; D82-K85 HydrophobicContact CB-CB 4.03Å; D82-K85 HydrophobicContact CB-CD 4.06Å; D82-K85 HydrophobicContact CB-CG 4.22Å; D82-K85 PolarHBondContact O-N 2.97Å; D82-K85 PolarHBondContact OD1-N 2.86Å; D82-K85 WeakPolarHBondContact OD2-CD 3.4Å; D82-K85 WeakPolarHBondContact OD2-CE 3.45Å; D82-K85 VanDerWaalsContact OD2-CG 3.28Å; D82-K85 WeakPolarHBondContact OD2-CG 3.49Å; D82-K85 IonicContact OD2-NZ 3.29Å; D82-K85 PolarHBondContact OD2-NZ 2.92Å; D82-L86 PolarHBondContact O-N 2.84Å
83	W	94.8	Very high	86.8	Confident	9 Å²	9	82.5 Å²	82.5	3%	0.034	42%	0.415	C	S	.	.	H	α-helix	trans	-56.7	-38.5	-179.6	178.1	-96.7	0	0	0	112.5	M54 I81 L86 R87 L176 H178 P179 P180 L226 F228	M54-W83 HydrophobicContact CE-CH2 4.42Å; I81-W83 PolarHBondContact O-N 2.68Å; I81-W83 VanDerWaalsContact O-N 3.12Å; W83-L86 PolarHBondContact O-N 3.28Å; W83-R87 WeakPolarHBondContact O-CB 3.41Å; W83-R87 PolarHBondContact O-N 3.23Å; W83-L176 HydrophobicContact CZ2-CB 4.08Å; W83-L176 PolarHBondContact NE1-O 2.85Å; W83-H178 PolarHBondContact NE1-O 2.96Å; W83-P179 HydrophobicContact CB-CB 3.97Å; W83-P179 HydrophobicContact CD2-CB 4.25Å; W83-P179 HydrophobicContact CG-CB 3.94Å; W83-P180 HydrophobicContact CH2-CG 4.37Å; W83-P180 HydrophobicContact CZ3-CG 4.35Å; W83-L226 HydrophobicContact CZ3-CD1 4.33Å; W83-F228 HydrophobicContact CE3-CE2 4.04Å; W83-F228 HydrophobicContact CE3-CZ 4.11Å; W83-F228 HydrophobicContact CZ3-CE2 4.17Å
84	Q	94.9	Very high	87	Confident	88 Å²	88	73.9 Å²	73.9	41%	0.411	38%	0.375	S	S	.	.	H	α-helix	trans	-69.3	-40.4	-178.9	-63.3	-52.7	-37.7	0	0	111.5	D82 G88 A177	D82-Q84 VanDerWaalsContact C-N 3.26Å; D82-Q84 PolarHBondContact O-N 3.36Å; D82-Q84 PolarHBondContact OD1-N 3.43Å; D82-Q84 VanDerWaalsContact OD1-N 3.11Å; Q84-G88 WeakPolarHBondContact O-CA 3.38Å; Q84-G88 PolarHBondContact O-N 3.08Å; Q84-A177 PolarHBondContact NE2-O 3.36Å
85	K	95.6	Very high	87.4	Confident	154 Å²	154	77.1 Å²	77.1	67%	0.67	39%	0.385	S	S	*	.	H	α-helix	trans	-64.4	-44.6	173.9	-75.1	179.3	-168.9	156.9	0	111.8	D82 G88 A89	D82-K85 HydrophobicContact CB-CB 4.03Å; D82-K85 HydrophobicContact CB-CD 4.06Å; D82-K85 HydrophobicContact CB-CG 4.22Å; D82-K85 PolarHBondContact O-N 2.97Å; D82-K85 PolarHBondContact OD1-N 2.86Å; D82-K85 WeakPolarHBondContact OD2-CD 3.4Å; D82-K85 WeakPolarHBondContact OD2-CE 3.45Å; D82-K85 VanDerWaalsContact OD2-CG 3.28Å; D82-K85 WeakPolarHBondContact OD2-CG 3.49Å; D82-K85 IonicContact OD2-NZ 3.29Å; D82-K85 PolarHBondContact OD2-NZ 2.92Å; K85-G88 PolarHBondContact O-N 2.92Å; K85-A89 WeakPolarHBondContact O-CB 3.45Å; K85-A89 PolarHBondContact O-N 3.2Å
86	L	96.2	Very high	88.2	Confident	25 Å²	25	75.5 Å²	75.5	13%	0.131	38%	0.382	C	S	.	.	H	α-helix	trans	-60.3	-53.7	176.7	174.7	60.2	0	0	0	111.2	M54 A57 I81 D82 W83 G88 A89 V90 L226	M54-L86 HydrophobicContact CE-CG 4.43Å; M54-L86 HydrophobicContact SD-CD1 4.23Å; M54-L86 HydrophobicContact SD-CD2 3.55Å; M54-L86 VanDerWaalsContact SD-CD2 3.55Å; M54-L86 HydrophobicContact SD-CG 3.8Å; A57-L86 HydrophobicContact CB-CD1 3.74Å; A57-L86 HydrophobicContact CB-CD2 4.11Å; I81-L86 HydrophobicContact CD1-CD2 3.71Å; D82-L86 PolarHBondContact O-N 2.84Å; W83-L86 PolarHBondContact O-N 3.28Å; L86-G88 VanDerWaalsContact C-N 3.3Å; L86-G88 PolarHBondContact O-N 3.34Å; L86-A89 PolarHBondContact O-N 2.85Å; L86-V90 HydrophobicContact CD1-CG2 4.09Å; L86-V90 WeakPolarHBondContact O-CG2 3.48Å; L86-V90 PolarHBondContact O-N 2.93Å; L86-L226 HydrophobicContact CD2-CD1 4.09Å; L86-L226 HydrophobicContact CD2-CD2 4.13Å
87	R	95.2	Very high	89.2	Confident	69 Å²	69	75.7 Å²	75.7	26%	0.26	38%	0.383	S	S	.	.	H	α-helix	trans	-55.3	-46.9	176.4	179.9	-167	177.3	-148	2.1	110.9	W83 A89 V90 Q91 C175 L176	W83-R87 WeakPolarHBondContact O-CB 3.41Å; W83-R87 PolarHBondContact O-N 3.23Å; R87-A89 PolarHBondContact O-N 2.84Å; R87-V90 PolarHBondContact O-N 3.31Å; R87-Q91 HydrophobicContact CG-CG 4.21Å; R87-Q91 VanDerWaalsContact O-CB 3.28Å; R87-Q91 WeakPolarHBondContact O-CB 3.44Å; R87-Q91 WeakPolarHBondContact O-CG 3.48Å; R87-Q91 PolarHBondContact O-N 3.45Å; R87-C175 PolarHBondContact NE-O 2.71Å; R87-C175 PolarHBondContact NH2-O 2.73Å; R87-L176 VanDerWaalsContact CD-O 3.24Å; R87-L176 WeakPolarHBondContact CD-O 3.46Å; R87-L176 PolarHBondContact NE-O 3.23Å
88	G	96.6	Very high	90.4	Very high	24 Å²	24	67.2 Å²	67.2	25%	0.247	35%	0.348	C	S	.	.	H	α-helix	trans	-58	-47.9	178.1	0	0	0	0	0	112.4	Q84 K85 L86 Q91 N92	Q84-G88 WeakPolarHBondContact O-CA 3.38Å; Q84-G88 PolarHBondContact O-N 3.08Å; K85-G88 PolarHBondContact O-N 2.92Å; L86-G88 VanDerWaalsContact C-N 3.3Å; L86-G88 PolarHBondContact O-N 3.34Å; G88-Q91 PolarHBondContact O-N 3.06Å; G88-N92 VanDerWaalsContact O-CB 3.29Å; G88-N92 WeakPolarHBondContact O-CB 3.46Å; G88-N92 PolarHBondContact O-N 3.42Å; G88-N92 PolarHBondContact O-ND2 2.71Å; G88-N92 PolarHBondContact O-OD1 3.18Å
89	A	97.2	Very high	91.8	Very high	62 Å²	62	71.5 Å²	71.5	51%	0.512	35%	0.351	S	S	.	.	H	α-helix	trans	-61.9	-47	177.7	0	0	0	0	0	112.2	K85 L86 R87 N92 H93	K85-A89 WeakPolarHBondContact O-CB 3.45Å; K85-A89 PolarHBondContact O-N 3.2Å; L86-A89 PolarHBondContact O-N 2.85Å; R87-A89 PolarHBondContact O-N 2.84Å; A89-N92 PolarHBondContact O-N 3.33Å; A89-H93 PolarHBondContact O-N 2.93Å; A89-H93 VanDerWaalsContact O-N 3.1Å
90	V	96.7	Very high	92.8	Very high	4 Å²	4	67 Å²	67	2%	0.024	34%	0.337	C	S	.	.	H	α-helix	trans	-61.9	-48.2	177.7	173	0	0	0	0	110.9	P50 L53 M54 L86 R87 N92 H93 I94	P50-V90 HydrophobicContact CB-CG1 3.73Å; L53-V90 HydrophobicContact CB-CG2 3.94Å; L53-V90 HydrophobicContact CD1-CG1 4.32Å; L53-V90 HydrophobicContact CD1-CG2 4.26Å; M54-V90 HydrophobicContact CE-CG2 4.23Å; M54-V90 HydrophobicContact SD-CG2 4.43Å; L86-V90 HydrophobicContact CD1-CG2 4.09Å; L86-V90 WeakPolarHBondContact O-CG2 3.48Å; L86-V90 PolarHBondContact O-N 2.93Å; R87-V90 PolarHBondContact O-N 3.31Å; V90-N92 PolarHBondContact O-N 3.02Å; V90-H93 PolarHBondContact O-N 2.92Å; V90-I94 HydrophobicContact CG1-CD1 3.95Å; V90-I94 WeakPolarHBondContact O-CG1 3.46Å; V90-I94 PolarHBondContact O-N 3.12Å
91	Q	95.3	Very high	93.2	Very high	39 Å²	39	61.3 Å²	61.3	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-66.5	-35	-179.6	-69.1	-63.8	-39.3	0	0	112.6	R87 G88 I94 R95 F174	R87-Q91 HydrophobicContact CG-CG 4.21Å; R87-Q91 VanDerWaalsContact O-CB 3.28Å; R87-Q91 WeakPolarHBondContact O-CB 3.44Å; R87-Q91 WeakPolarHBondContact O-CG 3.48Å; R87-Q91 PolarHBondContact O-N 3.45Å; G88-Q91 PolarHBondContact O-N 3.06Å; Q91-I94 PolarHBondContact O-N 3.21Å; Q91-R95 WeakPolarHBondContact O-CB 3.42Å; Q91-R95 WeakPolarHBondContact O-CG 3.49Å; Q91-R95 PolarHBondContact O-N 3.18Å; Q91-F174 PolarHBondContact NE2-O 3.38Å
92	N	96.7	Very high	92.9	Very high	87 Å²	87	66 Å²	66	47%	0.465	32%	0.321	S	S	.	.	H	α-helix	trans	-62.8	-43.2	173.5	-72.2	-10.3	0	0	0	111.1	G88 A89 V90 R95 S96	G88-N92 VanDerWaalsContact O-CB 3.29Å; G88-N92 WeakPolarHBondContact O-CB 3.46Å; G88-N92 PolarHBondContact O-N 3.42Å; G88-N92 PolarHBondContact O-ND2 2.71Å; G88-N92 PolarHBondContact O-OD1 3.18Å; A89-N92 PolarHBondContact O-N 3.33Å; V90-N92 PolarHBondContact O-N 3.02Å; N92-R95 PolarHBondContact O-N 3.38Å; N92-R95 PolarHBondContact OD1-NH1 2.82Å; N92-R95 PolarHBondContact OD1-NH2 3.37Å; N92-S96 PolarHBondContact O-N 2.85Å
93	H	97	Very high	92.5	Very high	83 Å²	83	64.6 Å²	64.6	38%	0.384	32%	0.315	S	S	.	.	H	α-helix	trans	-63.8	-45.2	176.3	-174.4	67.6	0	0	0	112	L53 A89 V90 R95 S96 L97	L53-H93 HydrophobicContact CD1-CB 4.42Å; A89-H93 PolarHBondContact O-N 2.93Å; A89-H93 VanDerWaalsContact O-N 3.1Å; V90-H93 PolarHBondContact O-N 2.92Å; H93-R95 VanDerWaalsContact C-N 3.32Å; H93-R95 PolarHBondContact O-N 2.79Å; H93-S96 WeakPolarHBondContact O-CB 3.41Å; H93-S96 PolarHBondContact O-N 2.9Å; H93-S96 VanDerWaalsContact O-N 3.13Å; H93-L97 PolarHBondContact O-N 2.82Å
94	I	93.4	Very high	91.7	Very high	3 Å²	3	68.4 Å²	68.4	2%	0.015	33%	0.333	C	S	.	.	H	α-helix	trans	-57.9	-45	175.1	-66.7	170.3	0	0	0	111.1	V44 P50 V90 Q91 S96 L97 N98	V44-I94 HydrophobicContact CG1-CG2 4.48Å; V44-I94 WeakPolarHBondContact O-CG1 3.22Å; P50-I94 HydrophobicContact CB-CD1 4.07Å; P50-I94 HydrophobicContact CG-CD1 4.19Å; V90-I94 HydrophobicContact CG1-CD1 3.95Å; V90-I94 WeakPolarHBondContact O-CG1 3.46Å; V90-I94 PolarHBondContact O-N 3.12Å; Q91-I94 PolarHBondContact O-N 3.21Å; I94-S96 VanDerWaalsContact C-N 3.31Å; I94-S96 PolarHBondContact O-N 2.63Å; I94-L97 PolarHBondContact O-N 2.82Å; I94-N98 VanDerWaalsContact O-CG 3.26Å; I94-N98 PolarHBondContact O-N 2.93Å
95	R	92.9	Very high	90.8	Very high	139 Å²	139	64.4 Å²	64.4	53%	0.525	31%	0.314	S	S	.	.	H	α-helix	trans	-61.1	-38.8	176.8	-78.4	-174.7	-106	111.2	2.7	112.3	Q91 N92 H93 N98 W99	Q91-R95 WeakPolarHBondContact O-CB 3.42Å; Q91-R95 WeakPolarHBondContact O-CG 3.49Å; Q91-R95 PolarHBondContact O-N 3.18Å; N92-R95 PolarHBondContact O-N 3.38Å; N92-R95 PolarHBondContact OD1-NH1 2.82Å; N92-R95 PolarHBondContact OD1-NH2 3.37Å; H93-R95 VanDerWaalsContact C-N 3.32Å; H93-R95 PolarHBondContact O-N 2.79Å; R95-N98 PolarHBondContact O-N 3.24Å; R95-W99 WeakPolarHBondContact O-CB 3.41Å; R95-W99 PolarHBondContact O-N 2.92Å
96	S	94.4	Very high	89.6	Confident	71 Å²	71	62.1 Å²	62.1	50%	0.497	31%	0.31	S	S	.	.	H	α-helix	trans	-62.7	-43.4	173.6	175.8	0	0	0	0	112.1	N92 H93 I94 W99 G100	N92-S96 PolarHBondContact O-N 2.85Å; H93-S96 WeakPolarHBondContact O-CB 3.41Å; H93-S96 PolarHBondContact O-N 2.9Å; H93-S96 VanDerWaalsContact O-N 3.13Å; I94-S96 VanDerWaalsContact C-N 3.31Å; I94-S96 PolarHBondContact O-N 2.63Å; S96-W99 PolarHBondContact O-N 3.04Å; S96-G100 PolarHBondContact O-N 3.16Å
97	L	91.6	Very high	88.3	Confident	46 Å²	46	66.5 Å²	66.5	24%	0.241	33%	0.329	C	S	.	.	H	α-helix	trans	-64.5	-44.6	175.9	-66.9	177.1	0	0	0	112.3	V44 I49 H93 I94 W99 G100 H101	V44-L97 HydrophobicContact CG1-CB 3.81Å; V44-L97 HydrophobicContact CG1-CD1 4.02Å; I49-L97 HydrophobicContact CD1-CD1 4.46Å; I49-L97 HydrophobicContact CG1-CD1 4.11Å; I49-L97 HydrophobicContact CG2-CD1 3.91Å; H93-L97 PolarHBondContact O-N 2.82Å; I94-L97 PolarHBondContact O-N 2.82Å; L97-W99 VanDerWaalsContact C-N 3.28Å; L97-W99 PolarHBondContact O-N 2.91Å; L97-G100 PolarHBondContact O-N 2.97Å; L97-H101 PolarHBondContact O-CD2 2.76Å; L97-H101 PolarHBondContact O-N 3.09Å
98	N	88.5	Confident	86.3	Confident	28 Å²	28	68.8 Å²	68.8	15%	0.15	35%	0.347	C	S	.	.	H	α-helix	trans	-58.9	-42.2	176.5	-69.8	-12.3	0	0	0	111	L39 V44 N45 I94 R95 R102	L39-N98 PolarHBondContact O-OD1 3.06Å; V44-N98 WeakPolarHBondContact CG1-OD1 3.19Å; N45-N98 PolarHBondContact OD1-ND2 3.39Å; N45-N98 PolarHBondContact OD1-OD1 3.5Å; I94-N98 VanDerWaalsContact O-CG 3.26Å; I94-N98 PolarHBondContact O-N 2.93Å; R95-N98 PolarHBondContact O-N 3.24Å; N98-R102 PolarHBondContact O-N 3.34Å; N98-R102 VanDerWaalsContact O-N 3.15Å
99	W	87.9	Confident	84.2	Confident	176 Å²	176	70.2 Å²	70.2	67%	0.667	35%	0.351	S	S	*	.	H	α-helix	trans	-65.6	-47.9	174.8	179.2	83.1	0	0	0	111.9	R95 S96 L97 H101 R102 V103	R95-W99 WeakPolarHBondContact O-CB 3.41Å; R95-W99 PolarHBondContact O-N 2.92Å; S96-W99 PolarHBondContact O-N 3.04Å; L97-W99 VanDerWaalsContact C-N 3.28Å; L97-W99 PolarHBondContact O-N 2.91Å; W99-H101 VanDerWaalsContact C-N 3.32Å; W99-H101 PolarHBondContact O-N 3.38Å; W99-R102 WeakPolarHBondContact O-CA 3.25Å; W99-R102 WeakPolarHBondContact O-CB 3.43Å; W99-R102 PolarHBondContact O-N 2.72Å; W99-V103 HydrophobicContact CD2-CG2 3.88Å; W99-V103 HydrophobicContact CE3-CG2 4.19Å; W99-V103 HydrophobicContact CH2-CG2 3.97Å; W99-V103 HydrophobicContact CZ2-CG2 3.63Å; W99-V103 HydrophobicContact CZ3-CG2 4.24Å; W99-V103 WeakPolarHBondContact O-CG2 3.45Å; W99-V103 PolarHBondContact O-N 3.13Å
100	G	87.1	Confident	81.7	Confident	21 Å²	21	73 Å²	73	22%	0.216	37%	0.367	C	S	.	.	H	α-helix	trans	-59.2	-41.2	178.4	0	0	0	0	0	112.6	S96 L97 R102 V103 Q104	S96-G100 PolarHBondContact O-N 3.16Å; L97-G100 PolarHBondContact O-N 2.97Å; G100-R102 VanDerWaalsContact C-N 3.33Å; G100-R102 PolarHBondContact O-N 2.74Å; G100-V103 PolarHBondContact O-N 3.41Å; G100-Q104 VanDerWaalsContact O-CG 3.27Å; G100-Q104 WeakPolarHBondContact O-CG 3.5Å; G100-Q104 PolarHBondContact O-N 2.93Å
101	H	84.2	Confident	79.7	Confident	40 Å²	40	80.1 Å²	80.1	19%	0.185	40%	0.399	C	S	.	.	H	α-helix	trans	-62.9	-39.3	172.9	-73.4	-30	0	0	0	112.6	K28 L39 L97 W99 Q104 L105	K28-H101 PolarHBondContact NZ-ND1 3.38Å; L39-H101 VanDerWaalsContact CD2-C 3.5Å; L39-H101 HydrophobicContact CD2-CB 3.65Å; L39-H101 HydrophobicContact CG-CB 3.94Å; L97-H101 PolarHBondContact O-CD2 2.76Å; L97-H101 PolarHBondContact O-N 3.09Å; W99-H101 VanDerWaalsContact C-N 3.32Å; W99-H101 PolarHBondContact O-N 3.38Å; H101-Q104 PolarHBondContact ND1-OE1 3.42Å; H101-Q104 PolarHBondContact O-N 3.25Å; H101-L105 WeakPolarHBondContact O-CG 3.39Å; H101-L105 PolarHBondContact O-N 3.44Å
102	R	81.9	Confident	77.5	Confident	151 Å²	151	80.3 Å²	80.3	57%	0.57	40%	0.401	S	S	*	.	H	α-helix	trans	-67.3	-40	178.8	-176	176.6	178.4	176.2	-1.7	111.5	L39 N98 W99 G100 L105 N106	L39-R102 HydrophobicContact CD2-CB 4.12Å; N98-R102 PolarHBondContact O-N 3.34Å; N98-R102 VanDerWaalsContact O-N 3.15Å; W99-R102 WeakPolarHBondContact O-CA 3.25Å; W99-R102 WeakPolarHBondContact O-CB 3.43Å; W99-R102 PolarHBondContact O-N 2.72Å; G100-R102 VanDerWaalsContact C-N 3.33Å; G100-R102 PolarHBondContact O-N 2.74Å; R102-L105 PolarHBondContact O-N 3.4Å; R102-N106 PolarHBondContact O-N 3.47Å
103	V	83.6	Confident	75	Confident	38 Å²	38	81.3 Å²	81.3	23%	0.23	41%	0.413	C	S	.	.	H	α-helix	trans	-60.4	-48.2	173.6	173.2	0	0	0	0	110.3	W99 G100 L105 N106 E107	W99-V103 HydrophobicContact CD2-CG2 3.88Å; W99-V103 HydrophobicContact CE3-CG2 4.19Å; W99-V103 HydrophobicContact CH2-CG2 3.97Å; W99-V103 HydrophobicContact CZ2-CG2 3.63Å; W99-V103 HydrophobicContact CZ3-CG2 4.24Å; W99-V103 WeakPolarHBondContact O-CG2 3.45Å; W99-V103 PolarHBondContact O-N 3.13Å; G100-V103 PolarHBondContact O-N 3.41Å; V103-L105 PolarHBondContact O-N 2.9Å; V103-L105 VanDerWaalsContact O-N 3.14Å; V103-N106 WeakPolarHBondContact O-CA 3.43Å; V103-N106 WeakPolarHBondContact O-CB 3.45Å; V103-N106 PolarHBondContact O-N 3.45Å; V103-E107 HydrophobicContact CG1-CG 4.2Å; V103-E107 WeakPolarHBondContact CG1-OE1 3.34Å; V103-E107 PolarHBondContact O-N 3.26Å
104	Q	79.2	Confident	73.1	Confident	89 Å²	89	80 Å²	80	42%	0.416	41%	0.406	S	S	.	.	H	α-helix	trans	-62.2	-21.4	178.9	-73.1	171.4	-9.4	0	0	114.6	G100 H101	G100-Q104 VanDerWaalsContact O-CG 3.27Å; G100-Q104 WeakPolarHBondContact O-CG 3.5Å; G100-Q104 PolarHBondContact O-N 2.93Å; H101-Q104 PolarHBondContact ND1-OE1 3.42Å; H101-Q104 PolarHBondContact O-N 3.25Å
105	L	76.1	Confident	71.1	Confident	3 Å²	3	84.8 Å²	84.8	2%	0.016	44%	0.44	C	S	.	.	H	α-helix	trans	-82.3	-25.5	172.4	-62.9	-178.8	0	0	0	112.4	L24 K28 L33 L39 H101 R102 V103 V117 Y119	L24-L105 HydrophobicContact CD2-CD1 4.12Å; L24-L105 HydrophobicContact CD2-CD2 4Å; L24-L105 HydrophobicContact CD2-CG 4.36Å; K28-L105 HydrophobicContact CG-CD2 4.02Å; L33-L105 HydrophobicContact CD1-CD2 4.44Å; L39-L105 HydrophobicContact CD1-CD1 4.12Å; L39-L105 HydrophobicContact CD2-CD1 3.46Å; L39-L105 VanDerWaalsContact CD2-CD1 3.46Å; L39-L105 HydrophobicContact CD2-CG 4.2Å; L39-L105 HydrophobicContact CG-CD1 4.38Å; H101-L105 WeakPolarHBondContact O-CG 3.39Å; H101-L105 PolarHBondContact O-N 3.44Å; R102-L105 PolarHBondContact O-N 3.4Å; V103-L105 PolarHBondContact O-N 2.9Å; V103-L105 VanDerWaalsContact O-N 3.14Å; L105-V117 HydrophobicContact CB-CB 4.32Å; L105-V117 HydrophobicContact CB-CG1 4.24Å; L105-V117 HydrophobicContact CD1-CG1 4.44Å; L105-V117 HydrophobicContact CD2-CB 4.29Å; L105-V117 HydrophobicContact CD2-CG1 3.81Å; L105-V117 HydrophobicContact CD2-CG2 4.47Å; L105-V117 HydrophobicContact CG-CG1 4.36Å; L105-Y119 HydrophobicContact CD1-CD2 4.12Å; L105-Y119 HydrophobicContact CD1-CG 4.25Å
106	N	70.6	Confident	69.9	Low	106 Å²	106	84.5 Å²	84.5	57%	0.567	44%	0.442	S	S	*	.	H	α-helix	trans	-86.4	-22.9	177.3	-70.2	-20.4	0	0	0	112.8	R102 V103 N108	R102-N106 PolarHBondContact O-N 3.47Å; V103-N106 WeakPolarHBondContact O-CA 3.43Å; V103-N106 WeakPolarHBondContact O-CB 3.45Å; V103-N106 PolarHBondContact O-N 3.45Å; N106-N108 PolarHBondContact O-N 3.05Å
107	E	67.3	Low	69.1	Low	117 Å²	117	82 Å²	82	55%	0.547	42%	0.424	S	S	.	.	S	Bend	trans	-71.8	124.7	175.5	-74.2	175.5	173.8	0	0	110.2	V103 V109	V103-E107 HydrophobicContact CG1-CG 4.2Å; V103-E107 WeakPolarHBondContact CG1-OE1 3.34Å; V103-E107 PolarHBondContact O-N 3.26Å; E107-V109 PolarHBondContact O-N 3.34Å
108	N	54.3	Low	68.7	Low	118 Å²	118	82.7 Å²	82.7	63%	0.631	43%	0.428	S	S	*	.			trans	-64.6	109.9	169.2	-71.5	-15.4	0	0	0	108.2	N106 S110 S115	N106-N108 PolarHBondContact O-N 3.05Å; N108-S110 VanDerWaalsContact C-N 3.34Å; N108-S110 PolarHBondContact O-N 3.47Å; N108-S115 PolarHBondContact OD1-O 3.06Å
109	V	53.2	Low	68.5	Low	53 Å²	53	84.3 Å²	84.3	32%	0.321	43%	0.432	S	S	.	.			trans	-74.9	91.7	175.4	-174.7	0	0	0	0	107.8	E107 H111 L112	E107-V109 PolarHBondContact O-N 3.34Å; V109-H111 WeakPolarHBondContact CG1-CE1 3.48Å; V109-H111 WeakPolarHBondContact CG1-ND1 3.15Å; V109-H111 PolarHBondContact O-N 2.88Å; V109-L112 HydrophobicContact CB-CD1 4.47Å; V109-L112 HydrophobicContact CG1-CD1 3.99Å; V109-L112 HydrophobicContact CG1-CG 4.23Å; V109-L112 PolarHBondContact O-N 3.36Å; V109-L112 VanDerWaalsContact O-N 3.1Å
110	S	44.6	Very low	68.4	Low	122 Å²	122	78 Å²	78	85%	0.853	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-12.5	-168.7	56	0	0	0	0	116.8	N108	N108-S110 VanDerWaalsContact C-N 3.34Å; N108-S110 PolarHBondContact O-N 3.47Å
111	H	54.3	Low	68.4	Low	152 Å²	152	81 Å²	81	70%	0.704	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-0.6	-178.3	61.9	-87.9	0	0	0	114.2	V109	V109-H111 WeakPolarHBondContact CG1-CE1 3.48Å; V109-H111 WeakPolarHBondContact CG1-ND1 3.15Å; V109-H111 PolarHBondContact O-N 2.88Å
112	L	47.9	Very low	68.7	Low	43 Å²	43	80 Å²	80	23%	0.225	42%	0.421	C	S	.	.	S	Bend	trans	-107.1	144	174.4	-68.8	172.6	0	0	0	109.6	K28 V109 F114	K28-L112 WeakPolarHBondContact O-CD1 3.46Å; V109-L112 HydrophobicContact CB-CD1 4.47Å; V109-L112 HydrophobicContact CG1-CD1 3.99Å; V109-L112 HydrophobicContact CG1-CG 4.23Å; V109-L112 PolarHBondContact O-N 3.36Å; V109-L112 VanDerWaalsContact O-N 3.1Å; L112-F114 PolarHBondContact O-N 3.25Å
113	P	46	Very low	69.2	Low	109 Å²	109	76.8 Å²	76.8	71%	0.708	41%	0.409	S	S	*	.	S	Bend	trans	-68	-1.5	-175.2	27.5	-34.1	0	0	0	113.9
114	F	55.5	Low	69.6	Low	54 Å²	54	75.6 Å²	75.6	24%	0.237	40%	0.404	C	S	.	.			trans	-104.1	128.9	-174.6	-57.1	-68.3	0	0	0	111.7	T31 L112 F376	T31-F114 HydrophobicContact CG2-CB 3.46Å; T31-F114 VanDerWaalsContact CG2-CB 3.46Å; T31-F114 HydrophobicContact CG2-CD1 4.15Å; T31-F114 HydrophobicContact CG2-CD2 4.44Å; T31-F114 HydrophobicContact CG2-CG 3.77Å; L112-F114 PolarHBondContact O-N 3.25Å; F114-F376 HydrophobicContact CE1-CD1 4.27Å; F114-F376 HydrophobicContact CE2-CB 3.63Å; F114-F376 HydrophobicContact CE2-CD1 4.36Å; F114-F376 HydrophobicContact CE2-CD2 4.39Å; F114-F376 AromaticContact CE2-CG 3.87Å; F114-F376 HydrophobicContact CE2-CG 3.87Å; F114-F376 HydrophobicContact CZ-CB 3.56Å; F114-F376 AromaticContact CZ-CD1 3.59Å; F114-F376 HydrophobicContact CZ-CD1 3.59Å; F114-F376 HydrophobicContact CZ-CD2 4.36Å; F114-F376 HydrophobicContact CZ-CE1 4.41Å; F114-F376 AromaticContact CZ-CG 3.55Å; F114-F376 HydrophobicContact CZ-CG 3.55Å
115	S	51.7	Low	70.4	Confident	105 Å²	105	72.5 Å²	72.5	73%	0.734	39%	0.392	S	S	*	.			trans	-93.6	-2.7	-162.2	54.8	0	0	0	0	116	N108	N108-S115 PolarHBondContact OD1-O 3.06Å
116	K	69.3	Low	71.4	Confident	133 Å²	133	72.4 Å²	72.4	58%	0.578	39%	0.391	S	S	*	.			trans	-173.1	145.6	173	-155.7	171.2	172.3	-170.4	0	112.3	D118	K116-D118 IonicContact NZ-OD1 2.72Å
117	V	77.4	Confident	72.6	Confident	19 Å²	19	70.5 Å²	70.5	12%	0.115	38%	0.38	C	S	.	.			trans	-101.6	106.1	162	178	0	0	0	0	108.9	L105 Y119	L105-V117 HydrophobicContact CB-CB 4.32Å; L105-V117 HydrophobicContact CB-CG1 4.24Å; L105-V117 HydrophobicContact CD1-CG1 4.44Å; L105-V117 HydrophobicContact CD2-CB 4.29Å; L105-V117 HydrophobicContact CD2-CG1 3.81Å; L105-V117 HydrophobicContact CD2-CG2 4.47Å; L105-V117 HydrophobicContact CG-CG1 4.36Å; V117-Y119 PolarHBondContact O-N 3.11Å
118	D	81.7	Confident	73.9	Confident	59 Å²	59	66.8 Å²	66.8	32%	0.316	36%	0.364	S	S	.	.			trans	-69.5	122.8	161.7	-60.7	-25.7	0	0	0	110.8	Y12 T32 L33 K116	Y12-D118 HydrophobicContact CE1-CB 4.24Å; Y12-D118 WeakPolarHBondContact CE1-OD2 3.46Å; Y12-D118 PolarHBondContact OH-OD2 3.45Å; T32-D118 WeakPolarHBondContact CA-O 3.45Å; T32-D118 WeakPolarHBondContact CB-O 3.34Å; T32-D118 HydrophobicContact CG2-CB 3.78Å; T32-D118 VanDerWaalsContact CG2-N 3.29Å; T32-D118 VanDerWaalsContact CG2-O 3.23Å; T32-D118 WeakPolarHBondContact CG2-O 3.24Å; L33-D118 PolarHBondContact N-O 3.48Å; K116-D118 IonicContact NZ-OD1 2.72Å
119	Y	84.2	Confident	75.9	Confident	62 Å²	62	63 Å²	63	24%	0.243	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-101.2	123.8	174.7	170	-110.2	0	0	0	110.3	L33 L39 L105 V117 N121	L33-Y119 HydrophobicContact CB-CD2 4.49Å; L33-Y119 WeakPolarHBondContact O-CA 3.44Å; L33-Y119 WeakPolarHBondContact O-CD2 3.4Å; L39-Y119 HydrophobicContact CD1-CD2 4.04Å; L39-Y119 HydrophobicContact CD1-CE2 3.6Å; L105-Y119 HydrophobicContact CD1-CD2 4.12Å; L105-Y119 HydrophobicContact CD1-CG 4.25Å; V117-Y119 PolarHBondContact O-N 3.11Å; Y119-N121 HydrophobicContact CE1-CB 4.01Å
120	M	85.6	Confident	77.9	Confident	44 Å²	44	62.7 Å²	62.7	22%	0.217	34%	0.342	C	S	.	.			trans	-112.8	110.9	176	-67.3	-175.9	164.7	0	0	110.1	L33 G34 A122 A134 E141 V143	L33-M120 PolarHBondContact O-N 3.45Å; G34-M120 WeakPolarHBondContact CA-O 3.31Å; M120-A122 HydrophobicContact CB-CB 4.38Å; M120-A122 PolarHBondContact O-N 3.49Å; M120-A134 HydrophobicContact SD-CB 4.37Å; M120-E141 VanDerWaalsContact CE-OE2 3.22Å; M120-E141 WeakPolarHBondContact CE-OE2 3.33Å; M120-V143 HydrophobicContact CE-CG1 3.93Å; M120-V143 HydrophobicContact SD-CG1 4.2Å
121	N	87.9	Confident	80.3	Confident	84 Å²	84	57.3 Å²	57.3	45%	0.449	30%	0.304	S	S	.	.			trans	-76.6	75	168.6	-173.2	22.5	0	0	0	110.1	S35 Y119	S35-N121 PolarHBondContact O-OD1 3.06Å; Y119-N121 HydrophobicContact CE1-CB 4.01Å
122	A	90.1	Very high	82.3	Confident	20 Å²	20	50.2 Å²	50.2	17%	0.165	27%	0.271	C	S	.	.	S	Bend	trans	-143.7	151.5	-174.5	0	0	0	0	0	111.1	M120 A134 V135	M120-A122 HydrophobicContact CB-CB 4.38Å; M120-A122 PolarHBondContact O-N 3.49Å; A122-A134 HydrophobicContact CB-CB 3.79Å; A122-V135 WeakPolarHBondContact CA-O 3.44Å
123	Y	92.3	Very high	84.5	Confident	83 Å²	83	50.4 Å²	50.4	33%	0.325	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	117.2	170.9	-166.1	-94.8	0	0	0	109.6	T125 V135 S276 M277	Y123-T125 HydrophobicContact CD1-CG2 3.81Å; Y123-T125 HydrophobicContact CE1-CG2 3.7Å; Y123-V135 PolarHBondContact N-O 3.35Å; Y123-V135 PolarHBondContact O-N 3.35Å; Y123-S276 WeakPolarHBondContact OH-CB 3.18Å; Y123-S276 PolarHBondContact OH-OG 3.42Å; Y123-M277 WeakPolarHBondContact OH-CG 3.37Å
124	G	93.1	Very high	86.8	Confident	12 Å²	12	45.6 Å²	45.6	12%	0.124	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130.2	-179.8	0	0	0	0	0	112.4	Q133	G124-Q133 WeakPolarHBondContact CA-O 3.3Å
125	T	95.6	Very high	88.5	Confident	24 Å²	24	46.1 Å²	46.1	15%	0.147	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141.4	173.2	53	0	0	0	0	110	Y123 I132 Q133 M277	Y123-T125 HydrophobicContact CD1-CG2 3.81Å; Y123-T125 HydrophobicContact CE1-CG2 3.7Å; T125-I132 CarbonylContact O-C 3.59Å; T125-I132 WeakPolarHBondContact O-CA 3.38Å; T125-Q133 PolarHBondContact N-O 2.97Å; T125-Q133 PolarHBondContact O-N 3.38Å; T125-Q133 PolarHBondContact OG1-O 2.83Å; T125-M277 WeakPolarHBondContact CA-O 3.47Å
126	F	96.4	Very high	90.3	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	131.7	178	-72.7	-87.5	0	0	0	110.5	I17 D128 I132 I148 I150 M277 I279 K281 A282 L284 I306	I17-F126 HydrophobicContact CD1-CE1 4.45Å; I17-F126 HydrophobicContact CD1-CE2 3.94Å; I17-F126 HydrophobicContact CD1-CZ 3.77Å; F126-D128 WeakPolarHBondContact CD1-O 3.23Å; F126-I132 HydrophobicContact CB-CD1 4.4Å; F126-I132 HydrophobicContact CD1-CD1 3.31Å; F126-I132 HydrophobicContact CD2-CD1 4.29Å; F126-I132 HydrophobicContact CE1-CD1 3.49Å; F126-I132 VanDerWaalsContact CE1-CD1 3.49Å; F126-I132 HydrophobicContact CE2-CD1 4.41Å; F126-I132 HydrophobicContact CG-CD1 3.75Å; F126-I132 HydrophobicContact CZ-CD1 4.04Å; F126-I148 HydrophobicContact CD1-CD1 4.48Å; F126-I148 HydrophobicContact CE1-CD1 3.84Å; F126-I148 HydrophobicContact CE1-CG2 4.07Å; F126-I148 HydrophobicContact CZ-CG2 4.02Å; F126-I150 HydrophobicContact CE2-CD1 3.89Å; F126-I150 HydrophobicContact CE2-CG1 4.4Å; F126-I150 HydrophobicContact CZ-CD1 3.68Å; F126-I150 HydrophobicContact CZ-CG1 4Å; F126-M277 HydrophobicContact CE2-CE 4.11Å; F126-M277 PolarHBondContact N-O 3.21Å; F126-I279 HydrophobicContact CD2-CG2 4.17Å; F126-I279 HydrophobicContact CE2-CG2 4.21Å; F126-K281 WeakPolarHBondContact O-CD 3.39Å; F126-A282 HydrophobicContact CB-CB 4.13Å; F126-A282 HydrophobicContact CD1-CB 3.56Å; F126-A282 HydrophobicContact CE1-CB 4.06Å; F126-A282 HydrophobicContact CG-CB 3.85Å; F126-L284 HydrophobicContact CE2-CD1 4.07Å; F126-L284 HydrophobicContact CZ-CD1 4.03Å; F126-I306 HydrophobicContact CE1-CD1 3.86Å; F126-I306 HydrophobicContact CZ-CD1 4.46Å
127	I	96.2	Very high	91	Very high	66 Å²	66	43.3 Å²	43.3	34%	0.338	24%	0.236	S	C	.	.	S	Bend	trans	-92.4	-43.2	163.2	-63.4	-175.9	0	0	0	109.1	T131 Q133 V142	I127-T131 HydrophobicContact CB-CG2 4.13Å; I127-T131 HydrophobicContact CD1-CG2 3.96Å; I127-T131 HydrophobicContact CG1-CG2 4.43Å; I127-T131 PolarHBondContact N-O 2.84Å; I127-Q133 HydrophobicContact CD1-CB 3.97Å; I127-Q133 HydrophobicContact CG1-CB 3.95Å; I127-V142 HydrophobicContact CD1-CG1 3.88Å; I127-V142 HydrophobicContact CD1-CG2 4.13Å
128	D	95.8	Very high	91.4	Very high	39 Å²	39	52 Å²	52	21%	0.209	27%	0.272	C	S	.	.	S	Bend	trans	-153.5	-169.2	175.8	58.7	54.3	0	0	0	109.1	F126 H130 T131	F126-D128 WeakPolarHBondContact CD1-O 3.23Å; D128-H130 PolarHBondContact O-N 2.89Å; D128-H130 PolarHBondContact OD1-N 3.34Å; D128-T131 PolarHBondContact N-O 2.76Å; D128-T131 VanDerWaalsContact OD1-CB 3.28Å; D128-T131 WeakPolarHBondContact OD1-CB 3.4Å; D128-T131 PolarHBondContact OD1-N 2.86Å; D128-T131 PolarHBondContact OD1-OG1 3.47Å; D128-T131 WeakPolarHBondContact OD2-CB 3.37Å; D128-T131 PolarHBondContact OD2-OG1 2.62Å
129	S	95.9	Very high	91.6	Very high	38 Å²	38	56.1 Å²	56.1	27%	0.266	29%	0.287	S	S	.	.	S	Bend	trans	-68.1	-13.5	-176.9	61.2	0	0	0	0	115.3	I148 N305	S129-I148 WeakPolarHBondContact O-CD1 3.12Å; S129-N305 PolarHBondContact O-ND2 3.28Å
130	H	95	Very high	91.9	Very high	47 Å²	47	59.5 Å²	59.5	22%	0.218	30%	0.303	C	S	.	.	S	Bend	trans	-121.7	-16.9	179.8	-72.6	-83.2	0	0	0	113.6	D128 Y144 G145 E146 N305	D128-H130 PolarHBondContact O-N 2.89Å; D128-H130 PolarHBondContact OD1-N 3.34Å; H130-Y144 HydrophobicContact CB-CD2 3.81Å; H130-Y144 HydrophobicContact CB-CE2 3.4Å; H130-Y144 VanDerWaalsContact CB-CE2 3.4Å; H130-Y144 AromaticContact CG-CE2 3.96Å; H130-Y144 CarbonylContact O-C 3.47Å; H130-Y144 WeakPolarHBondContact O-CA 3.34Å; H130-G145 PolarHBondContact ND1-O 2.84Å; H130-G145 PolarHBondContact O-N 2.78Å; H130-E146 PolarHBondContact CE1-O 3.38Å; H130-E146 PolarHBondContact ND1-O 3.09Å; H130-N305 PolarHBondContact CE1-ND2 3.44Å; H130-N305 PolarHBondContact ND1-ND2 3Å; H130-N305 VanDerWaalsContact ND1-ND2 3.19Å
131	T	95.6	Very high	92.2	Very high	9 Å²	9	60.9 Å²	60.9	6%	0.055	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.2	-169.3	-50.4	0	0	0	0	111.1	I127 D128 V142 V143	I127-T131 HydrophobicContact CB-CG2 4.13Å; I127-T131 HydrophobicContact CD1-CG2 3.96Å; I127-T131 HydrophobicContact CG1-CG2 4.43Å; I127-T131 PolarHBondContact N-O 2.84Å; D128-T131 PolarHBondContact N-O 2.76Å; D128-T131 VanDerWaalsContact OD1-CB 3.28Å; D128-T131 WeakPolarHBondContact OD1-CB 3.4Å; D128-T131 PolarHBondContact OD1-N 2.86Å; D128-T131 PolarHBondContact OD1-OG1 3.47Å; D128-T131 WeakPolarHBondContact OD2-CB 3.37Å; D128-T131 PolarHBondContact OD2-OG1 2.62Å; T131-V142 HydrophobicContact CG2-CG1 3.34Å; T131-V143 WeakPolarHBondContact CA-O 3.35Å
132	I	94.7	Very high	92.5	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.021	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	133	175.9	-56.9	-57.3	0	0	0	110	I15 I17 T125 F126 V142 V143 I148	I15-I132 HydrophobicContact CD1-CG1 4.25Å; I15-I132 HydrophobicContact CG2-CG1 4.34Å; I17-I132 HydrophobicContact CD1-CD1 3.68Å; I17-I132 HydrophobicContact CD1-CG1 4.06Å; T125-I132 CarbonylContact O-C 3.59Å; T125-I132 WeakPolarHBondContact O-CA 3.38Å; F126-I132 HydrophobicContact CB-CD1 4.4Å; F126-I132 HydrophobicContact CD1-CD1 3.31Å; F126-I132 HydrophobicContact CD2-CD1 4.29Å; F126-I132 HydrophobicContact CE1-CD1 3.49Å; F126-I132 VanDerWaalsContact CE1-CD1 3.49Å; F126-I132 HydrophobicContact CE2-CD1 4.41Å; F126-I132 HydrophobicContact CG-CD1 3.75Å; F126-I132 HydrophobicContact CZ-CD1 4.04Å; I132-V142 WeakPolarHBondContact O-CA 3.38Å; I132-V143 HydrophobicContact CB-CG2 3.91Å; I132-V143 PolarHBondContact N-O 2.89Å; I132-V143 WeakPolarHBondContact O-CG2 3.29Å; I132-V143 PolarHBondContact O-N 3.17Å; I132-I148 HydrophobicContact CD1-CD1 4.02Å; I132-I148 HydrophobicContact CG1-CD1 4.09Å
133	Q	95	Very high	92.5	Very high	47 Å²	47	57.9 Å²	57.9	22%	0.22	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	114.5	164.9	-177.2	165.7	110.2	0	0	109.4	G124 T125 I127 V135 K140	G124-Q133 WeakPolarHBondContact CA-O 3.3Å; T125-Q133 PolarHBondContact N-O 2.97Å; T125-Q133 PolarHBondContact O-N 3.38Å; T125-Q133 PolarHBondContact OG1-O 2.83Å; I127-Q133 HydrophobicContact CD1-CB 3.97Å; I127-Q133 HydrophobicContact CG1-CB 3.95Å; Q133-V135 HydrophobicContact CG-CG2 4.1Å; Q133-K140 VanDerWaalsContact CD-NZ 3.32Å; Q133-K140 HydrophobicContact CG-CG 4.35Å
134	A	93	Very high	92.6	Very high	8 Å²	8	57 Å²	57	7%	0.066	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	115.8	177.2	0	0	0	0	0	109.7	M120 A122 K140 E141	M120-A134 HydrophobicContact SD-CB 4.37Å; A122-A134 HydrophobicContact CB-CB 3.79Å; A134-K140 WeakPolarHBondContact O-CA 3.34Å; A134-E141 PolarHBondContact N-O 2.92Å; A134-E141 PolarHBondContact O-N 2.83Å
135	V	92.9	Very high	92.4	Very high	65 Å²	65	56.5 Å²	56.5	39%	0.394	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	105.3	178.1	-173.8	0	0	0	0	109.6	A122 Y123 Q133 K140	A122-V135 WeakPolarHBondContact CA-O 3.44Å; Y123-V135 PolarHBondContact N-O 3.35Å; Y123-V135 PolarHBondContact O-N 3.35Å; Q133-V135 HydrophobicContact CG-CG2 4.1Å; V135-K140 HydrophobicContact CG2-CG 4.28Å
136	G	88.9	Confident	92.2	Very high	21 Å²	21	59.5 Å²	59.5	22%	0.216	30%	0.295	C	S	.	.			trans	-100.9	-178.1	170.5	0	0	0	0	0	111.8	K138 K139	G136-K138 PolarHBondContact O-N 2.8Å; G136-K138 VanDerWaalsContact O-N 3.17Å; G136-K139 PolarHBondContact N-O 2.83Å
137	D	84.7	Confident	92	Very high	158 Å²	158	61.2 Å²	61.2	85%	0.845	30%	0.304	S	S	*	.	S	Bend	trans	-60.7	-29.7	-175.2	-60.2	-23.9	0	0	0	114
138	K	84.6	Confident	91.9	Very high	201 Å²	201	58.1 Å²	58.1	87%	0.874	29%	0.288	S	S	*	.	S	Bend	trans	-121.4	-14.9	-172.9	-63.2	-174.2	179.8	-177.2	0	114.7	G136	G136-K138 PolarHBondContact O-N 2.8Å; G136-K138 VanDerWaalsContact O-N 3.17Å
139	K	86.9	Confident	91.8	Very high	146 Å²	146	56.2 Å²	56.2	64%	0.635	28%	0.278	S	S	*	.			trans	-143.6	144.1	-170	-67.8	-171.8	179.7	-176.6	0	110.7	G136	G136-K139 PolarHBondContact N-O 2.83Å
140	K	90.7	Very high	91.8	Very high	132 Å²	132	54.4 Å²	54.4	57%	0.574	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.9	168.7	179.5	175	-173.5	171.1	0	107.4	Q133 A134 V135	Q133-K140 VanDerWaalsContact CD-NZ 3.32Å; Q133-K140 HydrophobicContact CG-CG 4.35Å; A134-K140 WeakPolarHBondContact O-CA 3.34Å; V135-K140 HydrophobicContact CG2-CG 4.28Å
141	E	90.7	Very high	91.8	Very high	73 Å²	73	52.7 Å²	52.7	34%	0.341	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.5	-177.9	-67.2	178.1	174	0	0	109.4	M120 A134	M120-E141 VanDerWaalsContact CE-OE2 3.22Å; M120-E141 WeakPolarHBondContact CE-OE2 3.33Å; A134-E141 PolarHBondContact N-O 2.92Å; A134-E141 PolarHBondContact O-N 2.83Å
142	V	93.4	Very high	91.8	Very high	37 Å²	37	54.7 Å²	54.7	22%	0.224	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118.9	174.6	178.3	0	0	0	0	106.6	K9 I127 T131 I132	K9-V142 PolarHBondContact N-O 2.83Å; I127-V142 HydrophobicContact CD1-CG1 3.88Å; I127-V142 HydrophobicContact CD1-CG2 4.13Å; T131-V142 HydrophobicContact CG2-CG1 3.34Å; I132-V142 WeakPolarHBondContact O-CA 3.38Å
143	V	91.8	Very high	91.6	Very high	5 Å²	5	55.2 Å²	55.2	3%	0.03	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142.2	-174.6	-62	0	0	0	0	109.6	S10 Y12 I15 M120 T131 I132	S10-V143 WeakPolarHBondContact O-CA 3.31Å; Y12-V143 HydrophobicContact CD2-CB 4.18Å; Y12-V143 HydrophobicContact CE2-CB 4.01Å; Y12-V143 HydrophobicContact CE2-CG1 3.89Å; I15-V143 HydrophobicContact CD1-CB 4.31Å; I15-V143 HydrophobicContact CD1-CG2 3.74Å; M120-V143 HydrophobicContact CE-CG1 3.93Å; M120-V143 HydrophobicContact SD-CG1 4.2Å; T131-V143 WeakPolarHBondContact CA-O 3.35Å; I132-V143 HydrophobicContact CB-CG2 3.91Å; I132-V143 PolarHBondContact N-O 2.89Å; I132-V143 WeakPolarHBondContact O-CG2 3.29Å; I132-V143 PolarHBondContact O-N 3.17Å
144	Y	92.9	Very high	91.5	Very high	65 Å²	65	53 Å²	53	26%	0.255	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.5	176.5	176.1	-83.8	0	0	0	109.4	S10 S11 Y12 H130 E146	S10-Y144 PolarHBondContact O-N 3.33Å; S11-Y144 CarbonylContact C-O 3.58Å; S11-Y144 WeakPolarHBondContact CA-O 3.36Å; S11-Y144 WeakPolarHBondContact OG-CD1 3.44Å; Y12-Y144 PolarHBondContact N-O 3.29Å; H130-Y144 HydrophobicContact CB-CD2 3.81Å; H130-Y144 HydrophobicContact CB-CE2 3.4Å; H130-Y144 VanDerWaalsContact CB-CE2 3.4Å; H130-Y144 AromaticContact CG-CE2 3.96Å; H130-Y144 CarbonylContact O-C 3.47Å; H130-Y144 WeakPolarHBondContact O-CA 3.34Å; Y144-E146 HydrophobicContact CE1-CG 4.24Å; Y144-E146 VanDerWaalsContact CE1-OE1 3.31Å; Y144-E146 WeakPolarHBondContact CE1-OE1 3.1Å; Y144-E146 PolarHBondContact OH-OE2 3.25Å
145	G	90.1	Very high	91.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.5	177.5	0	0	0	0	0	111.3	Y12 H130	Y12-G145 WeakPolarHBondContact O-CA 3.49Å; H130-G145 PolarHBondContact ND1-O 2.84Å; H130-G145 PolarHBondContact O-N 2.78Å
146	E	90.3	Very high	91.4	Very high	88 Å²	88	52.5 Å²	52.5	41%	0.411	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	-47.8	170.6	-67.7	-62.6	162.4	0	0	109.9	Y12 H130 Y144 N305	Y12-E146 PolarHBondContact O-N 2.85Å; H130-E146 PolarHBondContact CE1-O 3.38Å; H130-E146 PolarHBondContact ND1-O 3.09Å; Y144-E146 HydrophobicContact CE1-CG 4.24Å; Y144-E146 VanDerWaalsContact CE1-OE1 3.31Å; Y144-E146 WeakPolarHBondContact CE1-OE1 3.1Å; Y144-E146 PolarHBondContact OH-OE2 3.25Å; E146-N305 WeakPolarHBondContact O-CB 3.35Å; E146-N305 PolarHBondContact O-ND2 2.92Å
147	N	92	Very high	91.4	Very high	37 Å²	37	53.7 Å²	53.7	20%	0.198	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	147.7	171.7	-61.9	-83.2	0	0	0	111.5	D13 L14 I15 N305	D13-N147 PolarHBondContact O-N 3.05Å; D13-N147 VanDerWaalsContact O-N 3.08Å; D13-N147 PolarHBondContact O-ND2 2.85Å; L14-N147 CarbonylContact C-O 3.55Å; L14-N147 WeakPolarHBondContact CA-O 3.39Å; L14-N147 HydrophobicContact CD1-CB 3.67Å; I15-N147 PolarHBondContact N-O 2.94Å; N147-N305 WeakPolarHBondContact CA-O 3.22Å
148	I	94.6	Very high	91.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.4	177.3	-56.4	-179.6	0	0	0	110	I15 I17 F126 S129 I132 N305 I306 Y307	I15-I148 HydrophobicContact CB-CG1 4.42Å; I15-I148 CarbonylContact O-C 3.57Å; I15-I148 WeakPolarHBondContact O-CA 3.4Å; I17-I148 HydrophobicContact CD1-CG2 3.95Å; I17-I148 HydrophobicContact CG1-CG2 4.24Å; F126-I148 HydrophobicContact CD1-CD1 4.48Å; F126-I148 HydrophobicContact CE1-CD1 3.84Å; F126-I148 HydrophobicContact CE1-CG2 4.07Å; F126-I148 HydrophobicContact CZ-CG2 4.02Å; S129-I148 WeakPolarHBondContact O-CD1 3.12Å; I132-I148 HydrophobicContact CD1-CD1 4.02Å; I132-I148 HydrophobicContact CG1-CD1 4.09Å; I148-N305 PolarHBondContact N-O 3.45Å; I148-I306 HydrophobicContact CB-CG1 4.28Å; I148-I306 HydrophobicContact CB-CG2 4.49Å; I148-I306 CarbonylContact O-C 3.57Å; I148-I306 WeakPolarHBondContact O-CA 3.05Å; I148-Y307 PolarHBondContact O-N 2.96Å
149	V	95	Very high	91.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.1	174.1	177.1	0	0	0	0	109.3	L14 I15 V16 I17 Y307 I309 L371	L14-V149 HydrophobicContact CD1-CG2 3.72Å; L14-V149 HydrophobicContact CD2-CG2 4.43Å; L14-V149 HydrophobicContact CG-CG2 4.43Å; I15-V149 PolarHBondContact O-N 3.05Å; V16-V149 CarbonylContact C-O 3.56Å; V16-V149 WeakPolarHBondContact CA-O 3.23Å; V16-V149 HydrophobicContact CB-CB 4.48Å; V16-V149 HydrophobicContact CG1-CB 4.12Å; V16-V149 HydrophobicContact CG1-CG1 4.12Å; V16-V149 HydrophobicContact CG2-CB 4.16Å; I17-V149 PolarHBondContact N-O 3.19Å; V149-Y307 CarbonylContact C-O 3.59Å; V149-Y307 WeakPolarHBondContact CA-O 3.5Å; V149-I309 HydrophobicContact CG1-CD1 3.78Å; V149-I309 HydrophobicContact CG1-CG1 3.78Å; V149-I309 HydrophobicContact CG1-CG2 4.46Å; V149-L371 HydrophobicContact CG1-CD2 4.1Å; V149-L371 HydrophobicContact CG2-CD2 3.81Å
150	I	95.9	Very high	91.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.4	175.9	-48.4	175.2	0	0	0	108.3	F126 T152 L274 M277 L284 L293 I306 Y307 A308 I309 I312	F126-I150 HydrophobicContact CE2-CD1 3.89Å; F126-I150 HydrophobicContact CE2-CG1 4.4Å; F126-I150 HydrophobicContact CZ-CD1 3.68Å; F126-I150 HydrophobicContact CZ-CG1 4Å; I150-T152 HydrophobicContact CG2-CG2 4.02Å; I150-L274 HydrophobicContact CG2-CD2 4.33Å; I150-M277 HydrophobicContact CG2-CE 4.23Å; I150-L284 HydrophobicContact CD1-CD1 3.52Å; I150-L293 HydrophobicContact CB-CD1 4.05Å; I150-L293 HydrophobicContact CD1-CD1 3.57Å; I150-L293 HydrophobicContact CG1-CD1 4.38Å; I150-L293 HydrophobicContact CG2-CD1 4.08Å; I150-I306 HydrophobicContact CD1-CG2 3.78Å; I150-I306 HydrophobicContact CG1-CG2 4.06Å; I150-Y307 PolarHBondContact N-O 3.3Å; I150-A308 HydrophobicContact CB-CB 4.32Å; I150-A308 CarbonylContact O-C 3.24Å; I150-A308 VanDerWaalsContact O-CA 3.31Å; I150-A308 WeakPolarHBondContact O-CA 3.32Å; I150-I309 PolarHBondContact O-N 2.75Å; I150-I312 HydrophobicContact CB-CD1 3.76Å; I150-I312 HydrophobicContact CG2-CD1 3.33Å; I150-I312 VanDerWaalsContact O-CD1 3.25Å; I150-I312 WeakPolarHBondContact O-CD1 3.33Å
151	A	94.8	Very high	90.7	Very high	11 Å²	11	38.6 Å²	38.6	9%	0.091	19%	0.187	C	C	.	.			trans	-138	35.8	-177.8	0	0	0	0	0	111.3	V16 I17 G153 I309	V16-A151 HydrophobicContact CG1-CB 4.21Å; I17-A151 CarbonylContact O-C 3.6Å; I17-A151 WeakPolarHBondContact O-CA 3.33Å; I17-A151 PolarHBondContact O-N 3.4Å; A151-G153 PolarHBondContact O-N 3.4Å; A151-I309 HydrophobicContact CB-CD1 4.15Å; A151-I309 HydrophobicContact CB-CG1 3.77Å
152	T	93.9	Very high	90	Very high	50 Å²	50	39 Å²	39	31%	0.307	20%	0.197	S	C	.	.			trans	-73.8	-9.8	-170.2	54.8	0	0	0	0	115.2	I17 I150 M277	I17-T152 HydrophobicContact CB-CG2 4.45Å; I17-T152 HydrophobicContact CG2-CG2 3.87Å; I17-T152 WeakPolarHBondContact O-CG2 3.46Å; I17-T152 PolarHBondContact O-N 2.82Å; I150-T152 HydrophobicContact CG2-CG2 4.02Å; T152-M277 HydrophobicContact CG2-CE 3.69Å; T152-M277 HydrophobicContact CG2-SD 3.48Å; T152-M277 WeakPolarHBondContact CG2-SD 3.33Å
153	G	91.9	Very high	89.3	Confident	15 Å²	15	37.7 Å²	37.7	16%	0.155	19%	0.19	C	C	.	.			trans	63.5	-163.5	-177.8	0	0	0	0	0	113.5	A151 I312	A151-G153 PolarHBondContact O-N 3.4Å; G153-I312 WeakPolarHBondContact O-CG2 3.31Å
154	I	92.1	Very high	88.9	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	157.8	-177.8	60	-179.9	0	0	0	111.2	R270 E271 P272 D311 I312 E359	I154-R270 HydrophobicContact CB-CB 4.14Å; I154-R270 HydrophobicContact CD1-CB 3.43Å; I154-R270 VanDerWaalsContact CD1-CB 3.43Å; I154-R270 HydrophobicContact CD1-CG 4.36Å; I154-R270 HydrophobicContact CG1-CB 3.73Å; I154-R270 PolarHBondContact O-NH2 3.21Å; I154-E271 CarbonylContact C-O 3.56Å; I154-E271 VanDerWaalsContact CA-O 3.29Å; I154-E271 WeakPolarHBondContact CA-O 3.47Å; I154-E271 WeakPolarHBondContact CB-O 3.5Å; I154-P272 HydrophobicContact CG2-CB 4.16Å; I154-D311 HydrophobicContact CB-CB 4.42Å; I154-D311 HydrophobicContact CD1-CB 3.97Å; I154-D311 HydrophobicContact CG1-CB 3.88Å; I154-D311 HydrophobicContact CG2-CB 3.87Å; I154-I312 HydrophobicContact CG2-CG2 4.48Å; I154-E359 HydrophobicContact CD1-CG 4.08Å; I154-E359 WeakPolarHBondContact CD1-OE2 3.48Å
155	R	92.4	Very high	88.6	Confident	55 Å²	55	42.4 Å²	42.4	21%	0.208	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	155.5	-179.5	-62.5	-58.4	-58.8	-73.2	-1.8	111.2	K157 D171 R270 E271 R273	R155-K157 PolarHBondContact O-N 2.81Å; R155-D171 IonicContact CZ-OD2 2.69Å; R155-D171 IonicContact NE-OD2 2.66Å; R155-D171 PolarHBondContact NE-OD2 3.45Å; R155-D171 IonicContact NH2-OD2 2.62Å; R155-D171 PolarHBondContact NH2-OD2 2.94Å; R155-R270 CarbonylContact O-C 3.47Å; R155-R270 WeakPolarHBondContact O-CA 3.11Å; R155-R270 WeakPolarHBondContact O-CB 3.28Å; R155-E271 PolarHBondContact N-O 3.01Å; R155-E271 PolarHBondContact O-N 3.21Å; R155-R273 HydrophobicContact CB-CG 4.39Å; R155-R273 HydrophobicContact CG-CG 4.2Å
156	P	91.4	Very high	88.4	Confident	6 Å²	6	48.1 Å²	48.1	4%	0.039	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	137.8	175.2	-23.3	32.5	0	0	0	112.4	T169 D171	P156-T169 HydrophobicContact CB-CG2 3.53Å; P156-T169 HydrophobicContact CG-CG2 4.08Å; P156-D171 WeakPolarHBondContact CD-OD1 3.4Å; P156-D171 WeakPolarHBondContact CD-OD2 2.98Å; P156-D171 HydrophobicContact CG-CB 4.26Å; P156-D171 VanDerWaalsContact CG-CG 3.48Å; P156-D171 WeakPolarHBondContact CG-OD1 3.44Å
157	K	89.7	Confident	88.3	Confident	47 Å²	47	44.1 Å²	44.1	20%	0.204	23%	0.225	C	C	.	.			trans	-80.1	145.2	167.1	-72.5	-170.2	177.4	-168.7	0	109.3	R155 E191 V268 G269 E271	R155-K157 PolarHBondContact O-N 2.81Å; K157-E191 IonicContact NZ-OE2 3.36Å; K157-E191 PolarHBondContact NZ-OE2 2.66Å; K157-V268 HydrophobicContact CB-CG2 4.13Å; K157-V268 VanDerWaalsContact O-CG2 3.31Å; K157-V268 WeakPolarHBondContact O-CG2 3.23Å; K157-G269 PolarHBondContact N-O 3.35Å; K157-E271 HydrophobicContact CD-CB 4.38Å; K157-E271 WeakPolarHBondContact CE-OE2 3.12Å; K157-E271 HydrophobicContact CG-CB 3.91Å; K157-E271 HydrophobicContact CG-CG 3.83Å
158	Y	88	Confident	88.4	Confident	89 Å²	89	44 Å²	44	35%	0.349	22%	0.224	S	C	.	.			trans	-110.3	135.9	169.2	-75.1	-92.3	0	0	0	109.1	V164 T169 W266	Y158-V164 HydrophobicContact CD1-CG2 3.63Å; Y158-V164 HydrophobicContact CG-CG2 4.14Å; Y158-T169 HydrophobicContact CD1-CG2 4.4Å; Y158-T169 HydrophobicContact CE1-CG2 3.67Å; Y158-T169 HydrophobicContact CE2-CG2 3.79Å; Y158-T169 VanDerWaalsContact OH-CG2 3.31Å; Y158-T169 WeakPolarHBondContact OH-CG2 3.09Å; Y158-W266 AromaticContact CD1-CD1 3.6Å; Y158-W266 HydrophobicContact CD1-CG 4.35Å; Y158-W266 AromaticContact CE1-CD1 3.73Å
159	P	82.1	Confident	88.4	Confident	12 Å²	12	44 Å²	44	8%	0.078	22%	0.224	C	C	.	.			trans	-67.5	150.4	175.8	28.5	-33.6	0	0	0	111.5	I161 V164 W266	P159-I161 VanDerWaalsContact C-N 3.34Å; P159-I161 HydrophobicContact CB-CD1 4.27Å; P159-I161 HydrophobicContact CB-CG1 4.08Å; P159-I161 HydrophobicContact CG-CD1 3.83Å; P159-I161 HydrophobicContact CG-CG1 3.88Å; P159-I161 PolarHBondContact O-N 3.42Å; P159-I161 VanDerWaalsContact O-N 3.09Å; P159-V164 HydrophobicContact CG-CG2 4.09Å; P159-V164 WeakPolarHBondContact O-CG2 3.42Å; P159-W266 HydrophobicContact CG-CD2 3.88Å; P159-W266 HydrophobicContact CG-CE3 3.64Å; P159-W266 HydrophobicContact CG-CH2 3.96Å; P159-W266 HydrophobicContact CG-CZ2 4.12Å; P159-W266 HydrophobicContact CG-CZ3 3.69Å
160	Q	83.1	Confident	88.3	Confident	191 Å²	191	44.4 Å²	44.4	89%	0.893	23%	0.227	S	C	*	.	S	Bend	trans	-85.8	75.7	176.7	-62.7	-62.9	-34	0	0	110.1
161	I	78.7	Confident	88.2	Confident	28 Å²	28	45 Å²	45	14%	0.144	23%	0.23	C	C	.	.	S	Bend	trans	-137.7	153.6	-179.5	56.4	171.7	0	0	0	110.3	P159 V164 L239 W266	P159-I161 VanDerWaalsContact C-N 3.34Å; P159-I161 HydrophobicContact CB-CD1 4.27Å; P159-I161 HydrophobicContact CB-CG1 4.08Å; P159-I161 HydrophobicContact CG-CD1 3.83Å; P159-I161 HydrophobicContact CG-CG1 3.88Å; P159-I161 PolarHBondContact O-N 3.42Å; P159-I161 VanDerWaalsContact O-N 3.09Å; I161-V164 HydrophobicContact CG1-CB 4.29Å; I161-V164 WeakPolarHBondContact O-CB 3.29Å; I161-L239 HydrophobicContact CD1-CB 3.94Å; I161-L239 HydrophobicContact CD1-CD1 3.92Å; I161-L239 HydrophobicContact CD1-CG 4.34Å; I161-W266 HydrophobicContact CD1-CH2 3.44Å; I161-W266 VanDerWaalsContact CD1-CH2 3.44Å; I161-W266 HydrophobicContact CD1-CZ2 3.96Å; I161-W266 HydrophobicContact CD1-CZ3 4.16Å
162	P	75.8	Confident	88.2	Confident	82 Å²	82	47.3 Å²	47.3	53%	0.532	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	140.1	172.5	-22.3	34.2	0	0	0	112.3	V164	P162-V164 VanDerWaalsContact C-N 3.33Å
163	G	77.8	Confident	88.2	Confident	8 Å²	8	45 Å²	45	8%	0.082	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	19.2	178.5	0	0	0	0	0	114.9	E165 E166	G163-E165 PolarHBondContact O-N 2.91Å; G163-E166 WeakPolarHBondContact O-CB 3.11Å; G163-E166 PolarHBondContact O-N 3.44Å; G163-E166 VanDerWaalsContact O-N 3.11Å
164	V	83.9	Confident	88.2	Confident	30 Å²	30	44.5 Å²	44.5	18%	0.182	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-59.1	-30.1	179	61.4	0	0	0	0	112.8	Y158 P159 I161 P162 E166 G167 W266	Y158-V164 HydrophobicContact CD1-CG2 3.63Å; Y158-V164 HydrophobicContact CG-CG2 4.14Å; P159-V164 HydrophobicContact CG-CG2 4.09Å; P159-V164 WeakPolarHBondContact O-CG2 3.42Å; I161-V164 HydrophobicContact CG1-CB 4.29Å; I161-V164 WeakPolarHBondContact O-CB 3.29Å; P162-V164 VanDerWaalsContact C-N 3.33Å; V164-E166 VanDerWaalsContact C-N 3.28Å; V164-E166 PolarHBondContact O-N 3.31Å; V164-G167 PolarHBondContact O-N 2.9Å; V164-W266 HydrophobicContact CG2-CZ2 4.47Å; V164-W266 PolarHBondContact O-NE1 3.26Å
165	E	86.4	Confident	88.2	Confident	139 Å²	139	46.9 Å²	46.9	65%	0.65	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-66.6	-21.3	177	62.6	-83	-166.7	0	0	114.4	G163 G167	G163-E165 PolarHBondContact O-N 2.91Å; E165-G167 PolarHBondContact O-N 3.27Å
166	E	85.9	Confident	88.2	Confident	120 Å²	120	46 Å²	46	56%	0.561	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-74.7	-18.3	175.3	-61.5	-62.2	144.2	0	0	111.9	G163 V164 F242	G163-E166 WeakPolarHBondContact O-CB 3.11Å; G163-E166 PolarHBondContact O-N 3.44Å; G163-E166 VanDerWaalsContact O-N 3.11Å; V164-E166 VanDerWaalsContact C-N 3.28Å; V164-E166 PolarHBondContact O-N 3.31Å; E166-F242 HydrophobicContact CB-CD1 3.89Å; E166-F242 HydrophobicContact CB-CE1 3.93Å; E166-F242 HydrophobicContact CG-CD1 3.88Å; E166-F242 HydrophobicContact CG-CE1 4.4Å
167	G	89.3	Confident	88.3	Confident	4 Å²	4	47.9 Å²	47.9	4%	0.041	25%	0.251	C	S	.	.	S	Bend	trans	-95.4	146.6	176.9	0	0	0	0	0	112.9	V164 E165 L264	V164-G167 PolarHBondContact O-N 2.9Å; E165-G167 PolarHBondContact O-N 3.27Å; G167-L264 CarbonylContact C-O 3.55Å; G167-L264 WeakPolarHBondContact CA-O 2.94Å
168	I	93.9	Very high	88.4	Confident	34 Å²	34	52.1 Å²	52.1	17%	0.174	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	173.5	175.5	65	164.8	0	0	0	111.1	D172 L173 L176 T263 L264 L265 W266	I168-D172 HydrophobicContact CB-CB 3.96Å; I168-D172 HydrophobicContact CG2-CB 4.31Å; I168-L173 HydrophobicContact CD1-CB 4.32Å; I168-L173 HydrophobicContact CD1-CD1 4.25Å; I168-L176 HydrophobicContact CD1-CD1 4.3Å; I168-L176 HydrophobicContact CD1-CD2 4.28Å; I168-T263 HydrophobicContact CD1-CG2 3.69Å; I168-T263 HydrophobicContact CG1-CG2 3.9Å; I168-L264 WeakPolarHBondContact CG1-O 3.47Å; I168-L264 PolarHBondContact N-O 3.12Å; I168-L265 HydrophobicContact CD1-CD1 4.4Å; I168-L265 HydrophobicContact CG1-CD1 4.06Å; I168-L265 CarbonylContact O-C 3.56Å; I168-L265 WeakPolarHBondContact O-CA 3.2Å; I168-W266 PolarHBondContact O-N 2.83Å
169	T	94.2	Very high	88.7	Confident	1 Å²	1	51 Å²	51	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	179.2	172.9	66.9	0	0	0	0	110.7	P156 Y158 D171 D172 L173 L265 W266	P156-T169 HydrophobicContact CB-CG2 3.53Å; P156-T169 HydrophobicContact CG-CG2 4.08Å; Y158-T169 HydrophobicContact CD1-CG2 4.4Å; Y158-T169 HydrophobicContact CE1-CG2 3.67Å; Y158-T169 HydrophobicContact CE2-CG2 3.79Å; Y158-T169 VanDerWaalsContact OH-CG2 3.31Å; Y158-T169 WeakPolarHBondContact OH-CG2 3.09Å; T169-D171 PolarHBondContact O-N 3.34Å; T169-D171 VanDerWaalsContact O-N 3.17Å; T169-D171 WeakPolarHBondContact OG1-CB 3.18Å; T169-D171 PolarHBondContact OG1-N 2.87Å; T169-D172 PolarHBondContact N-OD2 3.26Å; T169-D172 PolarHBondContact O-N 3.48Å; T169-D172 VanDerWaalsContact O-N 3.08Å; T169-D172 PolarHBondContact OG1-OD2 3.32Å; T169-L173 PolarHBondContact O-N 2.96Å; T169-L173 VanDerWaalsContact O-N 3.14Å; T169-L265 WeakPolarHBondContact O-CD1 3.29Å; T169-W266 HydrophobicContact CG2-CB 4.17Å
170	S	92.7	Very high	89.3	Confident	9 Å²	9	50.5 Å²	50.5	6%	0.063	27%	0.272	C	S	.	.	H	α-helix	trans	-57.5	-25.3	169.7	63.1	0	0	0	0	112.8	D172 F174 R270	S170-D172 PolarHBondContact O-N 3.42Å; S170-F174 WeakPolarHBondContact O-CD2 3.41Å; S170-F174 WeakPolarHBondContact O-CE2 3.24Å; S170-R270 PolarHBondContact OG-NH1 3.31Å
171	D	93.6	Very high	89.8	Confident	12 Å²	12	42.2 Å²	42.2	6%	0.064	24%	0.238	C	C	.	.	H	α-helix	trans	-66.9	-24.2	178.9	-70.9	13.1	0	0	0	111.7	V46 R155 P156 T169 R270	V46-D171 VanDerWaalsContact CG1-O 3.32Å; V46-D171 WeakPolarHBondContact CG1-O 3.14Å; R155-D171 IonicContact CZ-OD2 2.69Å; R155-D171 IonicContact NE-OD2 2.66Å; R155-D171 PolarHBondContact NE-OD2 3.45Å; R155-D171 IonicContact NH2-OD2 2.62Å; R155-D171 PolarHBondContact NH2-OD2 2.94Å; P156-D171 WeakPolarHBondContact CD-OD1 3.4Å; P156-D171 WeakPolarHBondContact CD-OD2 2.98Å; P156-D171 HydrophobicContact CG-CB 4.26Å; P156-D171 VanDerWaalsContact CG-CG 3.48Å; P156-D171 WeakPolarHBondContact CG-OD1 3.44Å; T169-D171 PolarHBondContact O-N 3.34Å; T169-D171 VanDerWaalsContact O-N 3.17Å; T169-D171 WeakPolarHBondContact OG1-CB 3.18Å; T169-D171 PolarHBondContact OG1-N 2.87Å; D171-R270 IonicContact OD1-CZ 3.11Å; D171-R270 IonicContact OD1-NH1 2.62Å; D171-R270 PolarHBondContact OD1-NH1 3.41Å; D171-R270 IonicContact OD1-NH2 2.76Å
172	D	94.7	Very high	90.5	Very high	59 Å²	59	43.7 Å²	43.7	32%	0.316	24%	0.243	S	C	.	.	H	α-helix	trans	-101.3	-35.1	-176.9	-43.7	-73.3	0	0	0	112.2	I168 T169 S170 F174 C175 L176	I168-D172 HydrophobicContact CB-CB 3.96Å; I168-D172 HydrophobicContact CG2-CB 4.31Å; T169-D172 PolarHBondContact N-OD2 3.26Å; T169-D172 PolarHBondContact O-N 3.48Å; T169-D172 VanDerWaalsContact O-N 3.08Å; T169-D172 PolarHBondContact OG1-OD2 3.32Å; S170-D172 PolarHBondContact O-N 3.42Å; D172-F174 VanDerWaalsContact C-N 3.29Å; D172-F174 PolarHBondContact O-N 3.3Å; D172-C175 CarbonylContact O-C 3.37Å; D172-C175 PolarHBondContact O-N 2.94Å; D172-C175 VanDerWaalsContact O-N 3.08Å; D172-C175 PolarHBondContact O-SG 2.88Å; D172-L176 PolarHBondContact O-N 3.21Å
173	L	94.5	Very high	91.3	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-54.3	-41.3	-172	-179.1	60	0	0	0	113.6	I168 T169 C175 L176 C219 F222 L223 L265	I168-L173 HydrophobicContact CD1-CB 4.32Å; I168-L173 HydrophobicContact CD1-CD1 4.25Å; T169-L173 PolarHBondContact O-N 2.96Å; T169-L173 VanDerWaalsContact O-N 3.14Å; L173-C175 PolarHBondContact O-N 3Å; L173-L176 WeakPolarHBondContact O-CB 3.21Å; L173-L176 PolarHBondContact O-N 3.19Å; L173-C219 HydrophobicContact CD2-CB 4.13Å; L173-F222 HydrophobicContact CD2-CE2 4.24Å; L173-F222 HydrophobicContact CD2-CZ 3.59Å; L173-F222 HydrophobicContact CG-CZ 4.33Å; L173-L223 HydrophobicContact CD1-CD1 4.5Å; L173-L223 HydrophobicContact CD1-CD2 4.46Å; L173-L223 HydrophobicContact CD2-CD1 4.4Å; L173-L265 HydrophobicContact CB-CD1 4.39Å; L173-L265 HydrophobicContact CD2-CD1 4.29Å; L173-L265 HydrophobicContact CD2-CD2 3.84Å
174	F	91.8	Very high	91.8	Very high	5 Å²	5	39.4 Å²	39.4	2%	0.022	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-11.7	-175.2	-56.5	-60.2	0	0	0	114.3	V46 P50 K51 M54 Q91 S170 D172 F222	V46-F174 HydrophobicContact CB-CD2 4.25Å; V46-F174 WeakPolarHBondContact O-CE2 3.46Å; P50-F174 HydrophobicContact CB-CB 3.79Å; P50-F174 HydrophobicContact CB-CD1 3.63Å; P50-F174 HydrophobicContact CB-CD2 4.15Å; P50-F174 HydrophobicContact CB-CE1 4.23Å; P50-F174 HydrophobicContact CB-CG 3.58Å; P50-F174 HydrophobicContact CG-CB 4.18Å; P50-F174 HydrophobicContact CG-CD1 4.18Å; P50-F174 HydrophobicContact CG-CD2 3.83Å; P50-F174 HydrophobicContact CG-CE2 4.23Å; P50-F174 HydrophobicContact CG-CG 3.79Å; K51-F174 HydrophobicContact CB-CE1 4.16Å; K51-F174 HydrophobicContact CB-CZ 3.91Å; M54-F174 HydrophobicContact CG-CD1 4.09Å; M54-F174 HydrophobicContact CG-CE1 4.35Å; Q91-F174 PolarHBondContact NE2-O 3.38Å; S170-F174 WeakPolarHBondContact O-CD2 3.41Å; S170-F174 WeakPolarHBondContact O-CE2 3.24Å; D172-F174 VanDerWaalsContact C-N 3.29Å; D172-F174 PolarHBondContact O-N 3.3Å; F174-F222 HydrophobicContact CE1-CE1 4.02Å; F174-F222 AromaticContact CE1-CZ 3.9Å; F174-F222 HydrophobicContact CE1-CZ 3.9Å
175	C	91.3	Very high	92.1	Very high	52 Å²	52	38 Å²	38	35%	0.351	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	9.9	176.5	66.9	0	0	0	0	112.7	R87 D172 L173 A177	R87-C175 PolarHBondContact NE-O 2.71Å; R87-C175 PolarHBondContact NH2-O 2.73Å; D172-C175 CarbonylContact O-C 3.37Å; D172-C175 PolarHBondContact O-N 2.94Å; D172-C175 VanDerWaalsContact O-N 3.08Å; D172-C175 PolarHBondContact O-SG 2.88Å; L173-C175 PolarHBondContact O-N 3Å; C175-A177 PolarHBondContact O-N 2.95Å
176	L	93.7	Very high	92	Very high	38 Å²	38	32.4 Å²	32.4	20%	0.199	18%	0.181	C	C	.	.			trans	-55.2	128	-177.3	-167	67.1	0	0	0	111.5	W83 R87 I168 D172 L173 H178 P180	W83-L176 HydrophobicContact CZ2-CB 4.08Å; W83-L176 PolarHBondContact NE1-O 2.85Å; R87-L176 VanDerWaalsContact CD-O 3.24Å; R87-L176 WeakPolarHBondContact CD-O 3.46Å; R87-L176 PolarHBondContact NE-O 3.23Å; I168-L176 HydrophobicContact CD1-CD1 4.3Å; I168-L176 HydrophobicContact CD1-CD2 4.28Å; D172-L176 PolarHBondContact O-N 3.21Å; L173-L176 WeakPolarHBondContact O-CB 3.21Å; L173-L176 PolarHBondContact O-N 3.19Å; L176-H178 VanDerWaalsContact C-N 3.27Å; L176-H178 WeakPolarHBondContact CD2-O 3.21Å; L176-H178 WeakPolarHBondContact CG-O 3.49Å; L176-H178 PolarHBondContact O-N 3.03Å; L176-P180 HydrophobicContact CD2-CB 3.95Å
177	A	93.4	Very high	91.5	Very high	44 Å²	44	26.9 Å²	26.9	36%	0.364	16%	0.156	S	C	.	.	S	Bend	trans	-69.3	-23.7	-171.4	0	0	0	0	0	114	Q84 C175	Q84-A177 PolarHBondContact NE2-O 3.36Å; C175-A177 PolarHBondContact O-N 2.95Å
178	H	92.6	Very high	90	Very high	137 Å²	137	27 Å²	27	63%	0.634	16%	0.157	S	C	*	.	S	Bend	trans	-125.1	157	179	-58.2	-68.6	0	0	0	109.1	W83 L176	W83-H178 PolarHBondContact NE1-O 2.96Å; L176-H178 VanDerWaalsContact C-N 3.27Å; L176-H178 WeakPolarHBondContact CD2-O 3.21Å; L176-H178 WeakPolarHBondContact CG-O 3.49Å; L176-H178 PolarHBondContact O-N 3.03Å
179	P	94.1	Very high	87.8	Confident	66 Å²	66	26.7 Å²	26.7	43%	0.429	16%	0.158	S	C	.	.			trans	-58	144.4	171.2	25.4	-34.1	0	0	0	110.1	W83 G181 F228	W83-P179 HydrophobicContact CB-CB 3.97Å; W83-P179 HydrophobicContact CD2-CB 4.25Å; W83-P179 HydrophobicContact CG-CB 3.94Å; P179-G181 PolarHBondContact O-N 2.79Å; P179-F228 HydrophobicContact CB-CE1 3.75Å; P179-F228 HydrophobicContact CB-CZ 3.79Å
180	P	93.9	Very high	85.1	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.177	C	C	.	.			trans	-73.2	-8.7	-174	29.8	-35.9	0	0	0	114	W83 L176 T183 L223 F228 D262 T263	W83-P180 HydrophobicContact CH2-CG 4.37Å; W83-P180 HydrophobicContact CZ3-CG 4.35Å; L176-P180 HydrophobicContact CD2-CB 3.95Å; P180-T183 PolarHBondContact O-OG1 2.91Å; P180-L223 HydrophobicContact CG-CD2 3.59Å; P180-F228 HydrophobicContact CG-CD2 4.23Å; P180-F228 HydrophobicContact CG-CE2 4.3Å; P180-F228 HydrophobicContact CG-CG 4.42Å; P180-D262 WeakPolarHBondContact O-CB 3.17Å; P180-T263 WeakPolarHBondContact CA-OG1 3.31Å; P180-T263 HydrophobicContact CB-CG2 4.16Å; P180-T263 VanDerWaalsContact O-CB 3.23Å; P180-T263 WeakPolarHBondContact O-CB 3.34Å; P180-T263 PolarHBondContact O-OG1 3.49Å
181	G	93.3	Very high	82.5	Confident	18 Å²	18	33.9 Å²	33.9	19%	0.186	20%	0.197	C	C	.	.			trans	58.7	-146.6	179.2	0	0	0	0	0	112.7	P179 T183	P179-G181 PolarHBondContact O-N 2.79Å; G181-T183 PolarHBondContact O-N 3.34Å; G181-T183 PolarHBondContact O-OG1 2.91Å; G181-T183 VanDerWaalsContact O-OG1 3.08Å
182	K	93.8	Very high	79.5	Confident	58 Å²	58	39.8 Å²	39.8	25%	0.252	22%	0.219	S	C	.	.	S	Bend	trans	-66	110.1	172.8	-177.2	-179.8	178.8	-162.8	0	109.7	P229 E259 T260 F261 D262 T263	K182-P229 CarbonylContact C-O 3.53Å; K182-P229 WeakPolarHBondContact CA-O 2.98Å; K182-P229 HydrophobicContact CB-CB 4.4Å; K182-P229 HydrophobicContact CG-CB 4.18Å; K182-E259 WeakPolarHBondContact CE-OE1 3.33Å; K182-E259 VanDerWaalsContact NZ-CG 3.31Å; K182-E259 IonicContact NZ-OE1 3.74Å; K182-E259 PolarHBondContact NZ-OE1 2.82Å; K182-T260 WeakPolarHBondContact CD-O 3.47Å; K182-T260 VanDerWaalsContact CE-O 3.26Å; K182-T260 WeakPolarHBondContact CE-O 3.47Å; K182-T260 PolarHBondContact NZ-O 2.86Å; K182-F261 HydrophobicContact CD-CD1 4.41Å; K182-F261 HydrophobicContact CG-CD1 3.92Å; K182-F261 HydrophobicContact CG-CE1 4.41Å; K182-F261 CarbonylContact O-C 3.56Å; K182-D262 WeakPolarHBondContact CB-OD2 3.34Å; K182-D262 PolarHBondContact N-OD2 3.29Å; K182-D262 PolarHBondContact O-N 3.07Å; K182-T263 PolarHBondContact O-N 3.4Å
183	T	91.6	Very high	76.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.5	-170	-54.6	0	0	0	0	112.3	P180 G181 V185 L223 P229 V230 K231 T263 L265	P180-T183 PolarHBondContact O-OG1 2.91Å; G181-T183 PolarHBondContact O-N 3.34Å; G181-T183 PolarHBondContact O-OG1 2.91Å; G181-T183 VanDerWaalsContact O-OG1 3.08Å; T183-V185 HydrophobicContact CG2-CG2 3.98Å; T183-L223 HydrophobicContact CG2-CD1 3.95Å; T183-P229 PolarHBondContact N-O 2.92Å; T183-V230 WeakPolarHBondContact O-CA 3.24Å; T183-K231 PolarHBondContact O-N 2.93Å; T183-T263 CarbonylContact C-O 3.46Å; T183-T263 VanDerWaalsContact CA-O 3.3Å; T183-T263 WeakPolarHBondContact CA-O 3.34Å; T183-T263 HydrophobicContact CG2-CG2 4.06Å; T183-L265 HydrophobicContact CG2-CB 4.48Å
184	L	90.1	Very high	73.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.1	162.9	179.6	61.3	0	0	0	109.6	V186 K231 M233 V247 F261 T263 L264 L265	L184-V186 HydrophobicContact CD2-CG2 4.14Å; L184-V186 HydrophobicContact CG-CG2 4.04Å; L184-K231 WeakPolarHBondContact CA-O 3.39Å; L184-K231 HydrophobicContact CD1-CB 3.96Å; L184-K231 HydrophobicContact CD1-CD 4.48Å; L184-K231 HydrophobicContact CD1-CG 4.26Å; L184-K231 WeakPolarHBondContact CD1-O 3.23Å; L184-M233 HydrophobicContact CD1-CG 3.88Å; L184-M233 HydrophobicContact CD1-SD 3.89Å; L184-M233 HydrophobicContact CD2-SD 4.17Å; L184-V247 HydrophobicContact CD2-CB 4.06Å; L184-V247 HydrophobicContact CD2-CG1 3.6Å; L184-V247 HydrophobicContact CD2-CG2 3.84Å; L184-F261 HydrophobicContact CB-CB 4.36Å; L184-F261 HydrophobicContact CB-CD1 3.6Å; L184-F261 HydrophobicContact CB-CD2 3.89Å; L184-F261 HydrophobicContact CB-CE1 3.77Å; L184-F261 HydrophobicContact CB-CE2 4.03Å; L184-F261 HydrophobicContact CB-CG 3.67Å; L184-F261 HydrophobicContact CB-CZ 3.99Å; L184-F261 HydrophobicContact CD1-CE1 4.38Å; L184-F261 HydrophobicContact CD1-CZ 4.12Å; L184-F261 HydrophobicContact CD2-CD2 4.24Å; L184-F261 HydrophobicContact CD2-CE2 3.99Å; L184-F261 HydrophobicContact CD2-CZ 4.39Å; L184-F261 HydrophobicContact CG-CE2 4.41Å; L184-F261 HydrophobicContact CG-CZ 4.4Å; L184-T263 PolarHBondContact N-O 2.86Å; L184-L264 HydrophobicContact CB-CD1 3.91Å; L184-L264 HydrophobicContact CD2-CD1 3.71Å; L184-L264 HydrophobicContact CG-CD1 3.85Å; L184-L265 PolarHBondContact O-N 3.01Å
185	V	88.7	Confident	70.4	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.4	173.3	-176.6	0	0	0	0	109.5	T183 A216 S220 V230 K231 T232 M233 L265	T183-V185 HydrophobicContact CG2-CG2 3.98Å; V185-A216 HydrophobicContact CG1-CB 3.93Å; V185-S220 VanDerWaalsContact CB-OG 3.3Å; V185-S220 WeakPolarHBondContact CB-OG 3.18Å; V185-S220 WeakPolarHBondContact CG1-OG 3.3Å; V185-S220 WeakPolarHBondContact CG2-OG 3.39Å; V185-V230 HydrophobicContact CG2-CG1 3.97Å; V185-K231 PolarHBondContact N-O 3.22Å; V185-T232 HydrophobicContact CB-CG2 4.43Å; V185-T232 WeakPolarHBondContact O-CA 3.47Å; V185-M233 PolarHBondContact O-N 2.68Å; V185-L265 HydrophobicContact CG1-CB 4.47Å; V185-L265 HydrophobicContact CG1-CD2 3.96Å; V185-L265 HydrophobicContact CG1-CG 4.4Å; V185-L265 HydrophobicContact CG2-CB 4.19Å; V185-L265 HydrophobicContact CG2-CD2 3.92Å
186	V	84.7	Confident	67.5	Low	23 Å²	23	67.3 Å²	67.3	14%	0.139	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	107.7	179.2	-175.2	0	0	0	0	109.3	L184 L264 L265 W266 A267 V268	L184-V186 HydrophobicContact CD2-CG2 4.14Å; L184-V186 HydrophobicContact CG-CG2 4.04Å; V186-L264 HydrophobicContact CG2-CD1 3.83Å; V186-L265 PolarHBondContact N-O 3.39Å; V186-W266 HydrophobicContact CB-CE3 3.88Å; V186-W266 HydrophobicContact CB-CZ3 3.9Å; V186-W266 HydrophobicContact CG1-CE3 4.24Å; V186-W266 HydrophobicContact CG1-CZ3 4.07Å; V186-W266 HydrophobicContact CG2-CE3 4.19Å; V186-W266 HydrophobicContact CG2-CZ3 3.81Å; V186-A267 CarbonylContact O-C 3.5Å; V186-A267 WeakPolarHBondContact O-CA 3.42Å; V186-A267 PolarHBondContact O-N 3.32Å; V186-V268 HydrophobicContact CG1-CG1 4Å
187	G	75.6	Confident	64.2	Low	3 Å²	3	74.8 Å²	74.8	3%	0.031	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	156.3	-176.6	0	0	0	0	0	114.5	A216 M233 I234 R235	G187-A216 VanDerWaalsContact CA-CB 3.43Å; G187-M233 PolarHBondContact N-O 3.17Å; G187-I234 WeakPolarHBondContact O-CA 2.85Å; G187-R235 PolarHBondContact O-N 2.97Å
188	G	57.7	Low	61.2	Low	6 Å²	6	76.1 Å²	76.1	6%	0.062	36%	0.359	C	S	.	.	S	Bend	trans	96	151.5	178.4	0	0	0	0	0	112.3	C190 V268	G188-C190 PolarHBondContact O-N 2.73Å; G188-V268 VanDerWaalsContact O-CA 3.23Å; G188-V268 WeakPolarHBondContact O-CA 3.37Å; G188-V268 WeakPolarHBondContact O-CB 3.46Å
189	S	48.7	Very low	58	Low	29 Å²	29	74.9 Å²	74.9	20%	0.203	36%	0.364	C	S	.	.			trans	-72	126.3	179.7	52.4	0	0	0	0	110.5	E191 Y192 V268	S189-E191 PolarHBondContact O-N 3.41Å; S189-Y192 WeakPolarHBondContact OG-CD2 3.28Å; S189-V268 WeakPolarHBondContact CA-O 3.39Å
190	C	36.5	Very low	54.8	Low	58 Å²	58	82.6 Å²	82.6	39%	0.392	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-12.9	167.7	-63.9	0	0	0	0	112.3	G188 Y192 Q193	G188-C190 PolarHBondContact O-N 2.73Å; C190-Y192 VanDerWaalsContact C-N 3.31Å; C190-Y192 PolarHBondContact O-N 3.03Å; C190-Q193 WeakPolarHBondContact O-CG 3.38Å
191	E	38.1	Very low	51.7	Low	103 Å²	103	92.7 Å²	92.7	48%	0.481	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-1.4	-175	-116.3	173.7	140.6	0	0	116	K157 S189	K157-E191 IonicContact NZ-OE2 3.36Å; K157-E191 PolarHBondContact NZ-OE2 2.66Å; S189-E191 PolarHBondContact O-N 3.41Å
192	Y	31.3	Very low	48.6	Very low	135 Å²	135	94.5 Å²	94.5	53%	0.529	44%	0.438	S	S	.	.			trans	-120.1	61.3	172.8	-71.2	-81.9	0	0	0	111.4	S189 C190 K194 F210	S189-Y192 WeakPolarHBondContact OG-CD2 3.28Å; C190-Y192 VanDerWaalsContact C-N 3.31Å; C190-Y192 PolarHBondContact O-N 3.03Å; Y192-K194 VanDerWaalsContact C-N 3.26Å; Y192-K194 PolarHBondContact O-N 2.76Å; Y192-F210 HydrophobicContact CE2-CE1 4.35Å
193	Q	32.5	Very low	45.8	Very low	129 Å²	129	96.5 Å²	96.5	60%	0.603	46%	0.457	S	S	*	.			trans	-78.5	4.1	172.7	-81.9	175.2	-14.4	0	0	114.3	C190	C190-Q193 WeakPolarHBondContact O-CG 3.38Å
194	K	27.2	Very low	43.3	Very low	199 Å²	199	97.3 Å²	97.3	87%	0.865	46%	0.46	S	S	*	.	S	Bend	trans	-124.1	-2.8	-165.5	-79.4	-168.8	177.1	-177.6	0	119.5	Y192	Y192-K194 VanDerWaalsContact C-N 3.26Å; Y192-K194 PolarHBondContact O-N 2.76Å
195	R	29.5	Very low	40.7	Very low	159 Å²	159	103.7 Å²	103.7	60%	0.6	49%	0.485	S	S	*	.			trans	-162.3	147.8	178.8	-147.6	133.3	179.3	163.8	2.3	114.1	E340	R195-E340 IonicContact NH1-OE2 3.95Å; R195-E340 PolarHBondContact NH1-OE2 3.1Å
196	W	30.6	Very low	38.2	Very low	209 Å²	209	105.7 Å²	105.7	79%	0.792	50%	0.495	S	S	*	.			trans	103.5	79.2	173.3	-58.1	104	0	0	0	116.7	V198	W196-V198 HydrophobicContact CB-CG2 4.28Å; W196-V198 HydrophobicContact CE3-CG2 3.76Å; W196-V198 PolarHBondContact O-N 2.87Å
197	Q	25.2	Very low	35.8	Very low	194 Å²	194	108 Å²	108	91%	0.907	51%	0.506	S	S	*	.			trans	-64.7	105.6	141.7	-76.2	171.3	-7.1	0	0	108.3
198	V	29.3	Very low	33.8	Very low	72 Å²	72	109.4 Å²	109.4	44%	0.436	52%	0.515	S	S	.	.			trans	-138.9	108.2	157.5	-154.7	0	0	0	0	107.9	W196 R205	W196-V198 HydrophobicContact CB-CG2 4.28Å; W196-V198 HydrophobicContact CE3-CG2 3.76Å; W196-V198 PolarHBondContact O-N 2.87Å; V198-R205 VanDerWaalsContact CG1-NH1 3.26Å
199	P	25.6	Very low	32.8	Very low	112 Å²	112	112.9 Å²	112.9	73%	0.727	54%	0.543	S	S	*	.			trans	-71.8	152.5	177.1	29.7	-31.4	0	0	0	110.3
200	R	27.1	Very low	32.8	Very low	227 Å²	227	114.2 Å²	114.2	86%	0.857	55%	0.545	S	S	*	.			trans	95.3	106.6	175.4	-57.6	-176.5	-179.6	176.8	0.8	116.2	S202	R200-S202 PolarHBondContact O-N 2.73Å
201	F	27.7	Very low	33.5	Very low	212 Å²	212	113.4 Å²	113.4	93%	0.93	54%	0.537	S	S	*	.			trans	-57.4	115.4	160.9	-101.2	-101.5	0	0	0	109.9
202	S	29.5	Very low	34	Very low	57 Å²	57	108.9 Å²	108.9	40%	0.399	52%	0.516	S	S	.	.			trans	-115.6	132.3	157.9	151.2	0	0	0	0	105.9	R200 F204 R205	R200-S202 PolarHBondContact O-N 2.73Å; S202-F204 PolarHBondContact O-N 2.9Å; S202-F204 PolarHBondContact OG-N 2.99Å; S202-R205 PolarHBondContact O-N 3.32Å
203	P	34.5	Very low	35.3	Very low	99 Å²	99	103.2 Å²	103.2	64%	0.643	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-12.5	-178	19.6	-29.1	0	0	0	113.9
204	F	38.7	Very low	37.3	Very low	17 Å²	17	98.2 Å²	98.2	8%	0.075	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	3.4	-177.6	-72.9	-84.1	0	0	0	115.9	S202 L206 Y398 Y440 H457 C459	S202-F204 PolarHBondContact O-N 2.9Å; S202-F204 PolarHBondContact OG-N 2.99Å; F204-L206 PolarHBondContact O-N 3.22Å; F204-Y398 HydrophobicContact CD1-CD2 4.49Å; F204-Y398 AromaticContact CD1-CE2 3.88Å; F204-Y398 HydrophobicContact CD1-CE2 3.88Å; F204-Y398 HydrophobicContact CE1-CD2 4.02Å; F204-Y398 AromaticContact CE1-CE2 3.7Å; F204-Y398 HydrophobicContact CE1-CE2 3.7Å; F204-Y440 AromaticContact CD2-CD1 3.99Å; F204-Y440 HydrophobicContact CD2-CD1 3.99Å; F204-Y440 HydrophobicContact CD2-CE1 4.15Å; F204-Y440 HydrophobicContact CE1-CD1 4.24Å; F204-Y440 AromaticContact CE2-CD1 3.11Å; F204-Y440 HydrophobicContact CE2-CD1 3.11Å; F204-Y440 AromaticContact CE2-CE1 3.71Å; F204-Y440 HydrophobicContact CE2-CE1 3.71Å; F204-Y440 AromaticContact CE2-CG 3.71Å; F204-Y440 HydrophobicContact CE2-CG 3.71Å; F204-Y440 AromaticContact CZ-CD1 3.27Å; F204-Y440 HydrophobicContact CZ-CD1 3.27Å; F204-Y440 HydrophobicContact CZ-CE1 4.05Å; F204-Y440 HydrophobicContact CZ-CG 4.05Å; F204-H457 HydrophobicContact CD1-CB 4.3Å; F204-H457 HydrophobicContact CE1-CB 4.01Å; F204-C459 HydrophobicContact CE1-CB 4.3Å; F204-C459 HydrophobicContact CE2-CB 4.49Å; F204-C459 HydrophobicContact CZ-CB 3.66Å
205	R	35.5	Very low	39.9	Very low	135 Å²	135	90.1 Å²	90.1	51%	0.509	44%	0.439	S	S	.	.			trans	-77.9	7.2	173.2	-83.1	-171.5	175.9	-178.8	0.6	114.2	V198 S202 L207	V198-R205 VanDerWaalsContact CG1-NH1 3.26Å; S202-R205 PolarHBondContact O-N 3.32Å; R205-L207 VanDerWaalsContact C-N 3.26Å; R205-L207 PolarHBondContact O-N 3.38Å
206	L	37.4	Very low	42.6	Very low	41 Å²	41	82.5 Å²	82.5	22%	0.215	41%	0.411	C	S	.	.			trans	-71.2	87.7	167.4	-64.7	172.2	0	0	0	108.4	F204 P208 I213 L217	F204-L206 PolarHBondContact O-N 3.22Å; L206-P208 WeakPolarHBondContact O-CD 3.44Å; L206-P208 VanDerWaalsContact O-N 3.11Å; L206-I213 HydrophobicContact CD2-CD1 3.5Å; L206-I213 HydrophobicContact CD2-CG1 3.9Å; L206-I213 HydrophobicContact CD2-CG2 3.82Å; L206-L217 HydrophobicContact CD1-CD1 3.65Å; L206-L217 HydrophobicContact CD2-CD1 3.74Å; L206-L217 HydrophobicContact CG-CD1 4.37Å
207	L	33.1	Very low	45.1	Very low	71 Å²	71	74.4 Å²	74.4	37%	0.372	38%	0.383	S	S	.	.			trans	-52.6	117.4	163.3	-83.5	164.9	0	0	0	106.8	R205 A209 F210 P404	R205-L207 VanDerWaalsContact C-N 3.26Å; R205-L207 PolarHBondContact O-N 3.38Å; L207-A209 PolarHBondContact O-N 3.47Å; L207-F210 HydrophobicContact CB-CD2 3.81Å; L207-F210 HydrophobicContact CB-CE2 3.84Å; L207-F210 HydrophobicContact CD1-CE2 3.84Å; L207-F210 PolarHBondContact O-N 2.72Å; L207-P404 HydrophobicContact CD2-CG 4.03Å
208	P	34.4	Very low	48.2	Very low	34 Å²	34	65.7 Å²	65.7	22%	0.221	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-14	-178.5	-25.6	34.9	0	0	0	113.6	L206 F210 C400	L206-P208 WeakPolarHBondContact O-CD 3.44Å; L206-P208 VanDerWaalsContact O-N 3.11Å; P208-F210 VanDerWaalsContact C-N 3.3Å; P208-F210 PolarHBondContact O-N 3.4Å; P208-C400 WeakPolarHBondContact CG-SG 3.16Å
209	A	37.4	Very low	51.2	Low	78 Å²	78	62.4 Å²	62.4	65%	0.645	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-2	-178.3	0	0	0	0	0	115.8	L207	L207-A209 PolarHBondContact O-N 3.47Å
210	F	47.5	Very low	54.3	Low	57 Å²	57	57.4 Å²	57.4	25%	0.25	29%	0.29	C	S	.	.			trans	-108.7	92.3	-179.5	-66.5	-77.1	0	0	0	112.4	Y192 L207 P208 S212 I213 N214	Y192-F210 HydrophobicContact CE2-CE1 4.35Å; L207-F210 HydrophobicContact CB-CD2 3.81Å; L207-F210 HydrophobicContact CB-CE2 3.84Å; L207-F210 HydrophobicContact CD1-CE2 3.84Å; L207-F210 PolarHBondContact O-N 2.72Å; P208-F210 VanDerWaalsContact C-N 3.3Å; P208-F210 PolarHBondContact O-N 3.4Å; F210-S212 PolarHBondContact O-N 3.1Å; F210-I213 HydrophobicContact CB-CB 4.33Å; F210-I213 HydrophobicContact CB-CG2 3.97Å; F210-I213 VanDerWaalsContact O-CG2 3.3Å; F210-I213 WeakPolarHBondContact O-CG2 3.28Å; F210-I213 PolarHBondContact O-N 2.85Å; F210-I213 VanDerWaalsContact O-N 3.1Å; F210-N214 PolarHBondContact O-N 2.77Å
211	I	50.9	Low	57.3	Low	42 Å²	42	47 Å²	47	22%	0.215	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-27.7	178.4	-80.1	157.9	0	0	0	113.7	I213 N214 V215 E359	I211-I213 PolarHBondContact O-N 2.93Å; I211-N214 PolarHBondContact O-N 3.4Å; I211-V215 HydrophobicContact CG2-CG2 4.43Å; I211-V215 WeakPolarHBondContact O-CG2 3.42Å; I211-V215 PolarHBondContact O-N 2.9Å; I211-V215 VanDerWaalsContact O-N 3.11Å; I211-E359 HydrophobicContact CD1-CB 3.29Å; I211-E359 HydrophobicContact CD1-CG 3.95Å; I211-E359 WeakPolarHBondContact CD1-OE2 3.42Å
212	S	49.4	Very low	60.4	Low	8 Å²	8	36.9 Å²	36.9	6%	0.056	21%	0.209	C	C	.	.	H	α-helix	trans	-59.3	-43.5	172.4	51.3	0	0	0	0	112.9	F210 N214 A216 A267	F210-S212 PolarHBondContact O-N 3.1Å; S212-N214 VanDerWaalsContact C-N 3.33Å; S212-A216 PolarHBondContact O-N 2.9Å; S212-A267 WeakPolarHBondContact CB-O 3.48Å; S212-A267 VanDerWaalsContact O-O 3.11Å
213	I	58	Low	63.5	Low	16 Å²	16	34.2 Å²	34.2	8%	0.082	19%	0.19	C	C	.	.	H	α-helix	trans	-70.9	-35.6	-177.9	-151.3	160.2	0	0	0	110.8	L206 F210 I211 A216 L217 I234	L206-I213 HydrophobicContact CD2-CD1 3.5Å; L206-I213 HydrophobicContact CD2-CG1 3.9Å; L206-I213 HydrophobicContact CD2-CG2 3.82Å; F210-I213 HydrophobicContact CB-CB 4.33Å; F210-I213 HydrophobicContact CB-CG2 3.97Å; F210-I213 VanDerWaalsContact O-CG2 3.3Å; F210-I213 WeakPolarHBondContact O-CG2 3.28Å; F210-I213 PolarHBondContact O-N 2.85Å; F210-I213 VanDerWaalsContact O-N 3.1Å; I211-I213 PolarHBondContact O-N 2.93Å; I213-A216 PolarHBondContact O-N 2.92Å; I213-L217 HydrophobicContact CG1-CD1 4.09Å; I213-L217 HydrophobicContact CG1-CG 4.43Å; I213-L217 WeakPolarHBondContact O-CB 3.31Å; I213-L217 VanDerWaalsContact O-CG 3.24Å; I213-L217 WeakPolarHBondContact O-CG 3.48Å; I213-L217 PolarHBondContact O-N 2.77Å; I213-I234 HydrophobicContact CD1-CD1 4.42Å; I213-I234 HydrophobicContact CD1-CG2 3.59Å; I213-I234 HydrophobicContact CG1-CD1 4.17Å; I213-I234 HydrophobicContact CG1-CG2 4.06Å
214	N	74.2	Confident	66.3	Low	23 Å²	23	32.8 Å²	32.8	12%	0.123	18%	0.182	C	C	.	.	H	α-helix	trans	-65.7	-48.5	179.8	-63.2	-14.1	0	0	0	111	F210 I211 S212 A216 L217 E218 V392	F210-N214 PolarHBondContact O-N 2.77Å; I211-N214 PolarHBondContact O-N 3.4Å; S212-N214 VanDerWaalsContact C-N 3.33Å; N214-A216 VanDerWaalsContact C-N 3.32Å; N214-A216 PolarHBondContact O-N 3.11Å; N214-L217 PolarHBondContact O-N 2.85Å; N214-E218 WeakPolarHBondContact O-CB 3.06Å; N214-E218 WeakPolarHBondContact O-CG 3.45Å; N214-E218 PolarHBondContact O-N 3.22Å; N214-V392 HydrophobicContact CB-CG1 4.34Å; N214-V392 HydrophobicContact CB-CG2 4.37Å; N214-V392 WeakPolarHBondContact OD1-CG2 3.47Å
215	V	83.3	Confident	68.8	Low	29 Å²	29	32.9 Å²	32.9	18%	0.176	19%	0.188	C	C	.	.	H	α-helix	trans	-59.8	-44	178.7	175.5	0	0	0	0	111.1	I211 C219 A267	I211-V215 HydrophobicContact CG2-CG2 4.43Å; I211-V215 WeakPolarHBondContact O-CG2 3.42Å; I211-V215 PolarHBondContact O-N 2.9Å; I211-V215 VanDerWaalsContact O-N 3.11Å; V215-C219 VanDerWaalsContact O-CB 3.29Å; V215-C219 WeakPolarHBondContact O-CB 3.19Å; V215-C219 PolarHBondContact O-N 3.24Å; V215-C219 PolarHBondContact O-SG 3.43Å; V215-A267 HydrophobicContact CB-CB 4.34Å; V215-A267 HydrophobicContact CG1-CB 4.04Å
216	A	85.3	Confident	71.6	Confident	0 Å²	0	27 Å²	27	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.7	-48.4	178.8	0	0	0	0	0	112.1	V185 G187 S212 I213 N214 S220 A267	V185-A216 HydrophobicContact CG1-CB 3.93Å; G187-A216 VanDerWaalsContact CA-CB 3.43Å; S212-A216 PolarHBondContact O-N 2.9Å; I213-A216 PolarHBondContact O-N 2.92Å; N214-A216 VanDerWaalsContact C-N 3.32Å; N214-A216 PolarHBondContact O-N 3.11Å; A216-S220 VanDerWaalsContact O-CB 3.25Å; A216-S220 WeakPolarHBondContact O-CB 3.38Å; A216-S220 PolarHBondContact O-N 2.91Å; A216-S220 PolarHBondContact O-OG 3.2Å; A216-A267 HydrophobicContact CB-CB 3.69Å
217	L	84.1	Confident	74.1	Confident	38 Å²	38	27.7 Å²	27.7	20%	0.199	18%	0.184	C	C	.	.	H	α-helix	trans	-66.4	-42.9	-179.1	-74.1	173.5	0	0	0	112.2	L206 I213 N214 G221 I234 T394	L206-L217 HydrophobicContact CD1-CD1 3.65Å; L206-L217 HydrophobicContact CD2-CD1 3.74Å; L206-L217 HydrophobicContact CG-CD1 4.37Å; I213-L217 HydrophobicContact CG1-CD1 4.09Å; I213-L217 HydrophobicContact CG1-CG 4.43Å; I213-L217 WeakPolarHBondContact O-CB 3.31Å; I213-L217 VanDerWaalsContact O-CG 3.24Å; I213-L217 WeakPolarHBondContact O-CG 3.48Å; I213-L217 PolarHBondContact O-N 2.77Å; N214-L217 PolarHBondContact O-N 2.85Å; L217-G221 WeakPolarHBondContact O-CA 3.17Å; L217-G221 PolarHBondContact O-N 3.1Å; L217-I234 HydrophobicContact CD2-CD1 3.61Å; L217-I234 HydrophobicContact CG-CD1 4.08Å; L217-T394 HydrophobicContact CB-CG2 3.8Å
218	E	89.6	Confident	77	Confident	12 Å²	12	25.9 Å²	25.9	6%	0.056	17%	0.173	C	C	.	.	H	α-helix	trans	-65.6	-47.2	177.9	-69.2	176.8	149.6	0	0	111.3	K51 N214 G221 F222 V392 F393	K51-E218 HydrophobicContact CD-CB 4.48Å; K51-E218 HydrophobicContact CG-CB 4.41Å; K51-E218 IonicContact NZ-OE1 2.68Å; K51-E218 PolarHBondContact NZ-OE1 2.73Å; K51-E218 IonicContact NZ-OE2 2.88Å; K51-E218 PolarHBondContact NZ-OE2 3.18Å; N214-E218 WeakPolarHBondContact O-CB 3.06Å; N214-E218 WeakPolarHBondContact O-CG 3.45Å; N214-E218 PolarHBondContact O-N 3.22Å; E218-G221 PolarHBondContact O-N 3.26Å; E218-F222 WeakPolarHBondContact O-CD1 3.37Å; E218-F222 PolarHBondContact O-N 3.46Å; E218-V392 HydrophobicContact CG-CG1 3.8Å; E218-V392 WeakPolarHBondContact OE1-CA 3.34Å; E218-F393 PolarHBondContact OE1-N 2.84Å
219	C	92.7	Very high	79.7	Confident	2 Å²	2	28 Å²	28	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-46.2	177.2	-64.3	0	0	0	0	111.8	L173 V215 G221 F222 L223 L265	L173-C219 HydrophobicContact CD2-CB 4.13Å; V215-C219 VanDerWaalsContact O-CB 3.29Å; V215-C219 WeakPolarHBondContact O-CB 3.19Å; V215-C219 PolarHBondContact O-N 3.24Å; V215-C219 PolarHBondContact O-SG 3.43Å; C219-G221 VanDerWaalsContact C-N 3.27Å; C219-G221 PolarHBondContact O-N 3.2Å; C219-F222 HydrophobicContact CB-CE1 4.02Å; C219-F222 HydrophobicContact CB-CZ 4.25Å; C219-L223 VanDerWaalsContact O-CB 3.26Å; C219-L223 WeakPolarHBondContact O-CB 3.22Å; C219-L223 WeakPolarHBondContact O-CG 3.36Å; C219-L223 PolarHBondContact O-N 3.46Å; C219-L265 HydrophobicContact CB-CD2 3.49Å; C219-L265 VanDerWaalsContact CB-CD2 3.49Å
220	S	90.8	Very high	82.2	Confident	7 Å²	7	26.3 Å²	26.3	5%	0.049	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-42.5	176.6	-56.9	0	0	0	0	111.7	V185 A216 S224 T232	V185-S220 VanDerWaalsContact CB-OG 3.3Å; V185-S220 WeakPolarHBondContact CB-OG 3.18Å; V185-S220 WeakPolarHBondContact CG1-OG 3.3Å; V185-S220 WeakPolarHBondContact CG2-OG 3.39Å; A216-S220 VanDerWaalsContact O-CB 3.25Å; A216-S220 WeakPolarHBondContact O-CB 3.38Å; A216-S220 PolarHBondContact O-N 2.91Å; A216-S220 PolarHBondContact O-OG 3.2Å; S220-S224 VanDerWaalsContact O-CB 3.24Å; S220-S224 WeakPolarHBondContact O-CB 3.32Å; S220-S224 PolarHBondContact O-N 3.37Å; S220-T232 WeakPolarHBondContact CB-OG1 3.38Å; S220-T232 WeakPolarHBondContact OG-CG2 3.44Å; S220-T232 PolarHBondContact OG-OG1 2.72Å
221	G	89.8	Confident	84.2	Confident	8 Å²	8	27.1 Å²	27.1	8%	0.082	17%	0.172	C	C	.	.	H	α-helix	trans	-60.9	-54.4	-179.2	0	0	0	0	0	112.8	L217 E218 C219 G225 P395	L217-G221 WeakPolarHBondContact O-CA 3.17Å; L217-G221 PolarHBondContact O-N 3.1Å; E218-G221 PolarHBondContact O-N 3.26Å; C219-G221 VanDerWaalsContact C-N 3.27Å; C219-G221 PolarHBondContact O-N 3.2Å; G221-G225 PolarHBondContact O-N 3.32Å; G221-P395 VanDerWaalsContact CA-CD 3.4Å; G221-P395 WeakPolarHBondContact O-CG 3.39Å
222	F	93.3	Very high	85.7	Confident	1 Å²	1	27.8 Å²	27.8	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-68.5	-41.2	178.9	75.2	-115	0	0	0	111.3	M54 H55 A58 L173 F174 E218 C219 S224 G225 L226	M54-F222 HydrophobicContact CB-CD1 4.23Å; M54-F222 HydrophobicContact CB-CD2 3.8Å; M54-F222 HydrophobicContact CB-CE1 4.34Å; M54-F222 HydrophobicContact CB-CE2 3.98Å; M54-F222 HydrophobicContact CB-CG 3.97Å; M54-F222 HydrophobicContact CB-CZ 4.25Å; M54-F222 HydrophobicContact CG-CE2 4.33Å; H55-F222 HydrophobicContact CB-CB 4.47Å; A58-F222 HydrophobicContact CB-CB 4.02Å; A58-F222 WeakPolarHBondContact CB-O 3.44Å; L173-F222 HydrophobicContact CD2-CE2 4.24Å; L173-F222 HydrophobicContact CD2-CZ 3.59Å; L173-F222 HydrophobicContact CG-CZ 4.33Å; F174-F222 HydrophobicContact CE1-CE1 4.02Å; F174-F222 AromaticContact CE1-CZ 3.9Å; F174-F222 HydrophobicContact CE1-CZ 3.9Å; E218-F222 WeakPolarHBondContact O-CD1 3.37Å; E218-F222 PolarHBondContact O-N 3.46Å; C219-F222 HydrophobicContact CB-CE1 4.02Å; C219-F222 HydrophobicContact CB-CZ 4.25Å; F222-S224 VanDerWaalsContact C-N 3.33Å; F222-S224 PolarHBondContact O-N 3.27Å; F222-G225 CarbonylContact O-C 3.57Å; F222-G225 WeakPolarHBondContact O-CA 3.44Å; F222-G225 PolarHBondContact O-N 2.9Å; F222-G225 VanDerWaalsContact O-N 3.07Å; F222-L226 HydrophobicContact CD2-CD1 4.04Å; F222-L226 VanDerWaalsContact O-CG 3.26Å; F222-L226 WeakPolarHBondContact O-CG 3.27Å; F222-L226 PolarHBondContact O-N 3.29Å
223	L	94.4	Very high	87	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.1	-43.9	179.4	-73.5	176.8	0	0	0	111.8	L173 P180 T183 C219 L226 G227 F228 V230	L173-L223 HydrophobicContact CD1-CD1 4.5Å; L173-L223 HydrophobicContact CD1-CD2 4.46Å; L173-L223 HydrophobicContact CD2-CD1 4.4Å; P180-L223 HydrophobicContact CG-CD2 3.59Å; T183-L223 HydrophobicContact CG2-CD1 3.95Å; C219-L223 VanDerWaalsContact O-CB 3.26Å; C219-L223 WeakPolarHBondContact O-CB 3.22Å; C219-L223 WeakPolarHBondContact O-CG 3.36Å; C219-L223 PolarHBondContact O-N 3.46Å; L223-L226 PolarHBondContact O-N 3.39Å; L223-G227 PolarHBondContact O-N 3.47Å; L223-F228 HydrophobicContact CD2-CD2 4.1Å; L223-F228 WeakPolarHBondContact O-CB 2.84Å; L223-F228 PolarHBondContact O-N 2.98Å; L223-F228 VanDerWaalsContact O-N 3.08Å; L223-V230 HydrophobicContact CB-CG2 3.54Å
224	S	92.3	Very high	87.3	Confident	70 Å²	70	31.4 Å²	31.4	49%	0.49	20%	0.196	S	C	.	.	H	α-helix	trans	-62.9	-42.2	173.8	-178.6	0	0	0	0	111.7	S220 F222 L226 G227	S220-S224 VanDerWaalsContact O-CB 3.24Å; S220-S224 WeakPolarHBondContact O-CB 3.32Å; S220-S224 PolarHBondContact O-N 3.37Å; F222-S224 VanDerWaalsContact C-N 3.33Å; F222-S224 PolarHBondContact O-N 3.27Å; S224-L226 VanDerWaalsContact C-N 3.3Å; S224-L226 PolarHBondContact O-N 3.37Å; S224-G227 WeakPolarHBondContact O-CA 3.18Å; S224-G227 PolarHBondContact O-N 3.11Å
225	G	92	Very high	86.5	Confident	19 Å²	19	38 Å²	38	20%	0.196	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-25.2	177	0	0	0	0	0	114.2	N61 G221 F222 G227	N61-G225 WeakPolarHBondContact CB-O 3.16Å; N61-G225 PolarHBondContact ND2-O 3.37Å; G221-G225 PolarHBondContact O-N 3.32Å; F222-G225 CarbonylContact O-C 3.57Å; F222-G225 WeakPolarHBondContact O-CA 3.44Å; F222-G225 PolarHBondContact O-N 2.9Å; F222-G225 VanDerWaalsContact O-N 3.07Å; G225-G227 PolarHBondContact O-N 3.27Å
226	L	93.2	Very high	84.3	Confident	10 Å²	10	40 Å²	40	5%	0.052	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-8.7	169.7	-60.7	172.8	0	0	0	112.9	A57 A58 I81 W83 L86 F222 L223 S224 F228	A57-L226 HydrophobicContact CB-CD2 3.64Å; A58-L226 HydrophobicContact CB-CD2 4.1Å; A58-L226 HydrophobicContact CB-CG 4.24Å; I81-L226 HydrophobicContact CD1-CB 4.26Å; I81-L226 HydrophobicContact CD1-CD2 3.33Å; I81-L226 HydrophobicContact CD1-CG 4.2Å; W83-L226 HydrophobicContact CZ3-CD1 4.33Å; L86-L226 HydrophobicContact CD2-CD1 4.09Å; L86-L226 HydrophobicContact CD2-CD2 4.13Å; F222-L226 HydrophobicContact CD2-CD1 4.04Å; F222-L226 VanDerWaalsContact O-CG 3.26Å; F222-L226 WeakPolarHBondContact O-CG 3.27Å; F222-L226 PolarHBondContact O-N 3.29Å; L223-L226 PolarHBondContact O-N 3.39Å; S224-L226 VanDerWaalsContact C-N 3.3Å; S224-L226 PolarHBondContact O-N 3.37Å; L226-F228 HydrophobicContact CB-CD2 3.92Å; L226-F228 HydrophobicContact CB-CE2 3.9Å; L226-F228 HydrophobicContact CD1-CE2 4.27Å
227	G	91.7	Very high	82.1	Confident	57 Å²	57	42.1 Å²	42.1	59%	0.588	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.8	7.2	177.2	0	0	0	0	0	115.2	L223 S224 G225	L223-G227 PolarHBondContact O-N 3.47Å; S224-G227 WeakPolarHBondContact O-CA 3.18Å; S224-G227 PolarHBondContact O-N 3.11Å; G225-G227 PolarHBondContact O-N 3.27Å
228	F	92.6	Very high	80.1	Confident	32 Å²	32	44.1 Å²	44.1	14%	0.14	26%	0.26	C	S	.	.			trans	-80	142.2	176.6	-62.1	-68.4	0	0	0	111.4	I81 W83 P179 P180 L223 L226 V230	I81-F228 HydrophobicContact CG2-CE2 4.42Å; I81-F228 HydrophobicContact CG2-CZ 4.24Å; W83-F228 HydrophobicContact CE3-CE2 4.04Å; W83-F228 HydrophobicContact CE3-CZ 4.11Å; W83-F228 HydrophobicContact CZ3-CE2 4.17Å; P179-F228 HydrophobicContact CB-CE1 3.75Å; P179-F228 HydrophobicContact CB-CZ 3.79Å; P180-F228 HydrophobicContact CG-CD2 4.23Å; P180-F228 HydrophobicContact CG-CE2 4.3Å; P180-F228 HydrophobicContact CG-CG 4.42Å; L223-F228 HydrophobicContact CD2-CD2 4.1Å; L223-F228 WeakPolarHBondContact O-CB 2.84Å; L223-F228 PolarHBondContact O-N 2.98Å; L223-F228 VanDerWaalsContact O-N 3.08Å; L226-F228 HydrophobicContact CB-CD2 3.92Å; L226-F228 HydrophobicContact CB-CE2 3.9Å; L226-F228 HydrophobicContact CD1-CE2 4.27Å; F228-V230 HydrophobicContact CB-CG2 4.49Å; F228-V230 PolarHBondContact O-N 3.25Å
229	P	92.2	Very high	77.6	Confident	80 Å²	80	44 Å²	44	52%	0.519	26%	0.26	S	S	.	.			trans	-66.8	119.2	169.4	-15.7	29.7	0	0	0	109.5	K182 T183	K182-P229 CarbonylContact C-O 3.53Å; K182-P229 WeakPolarHBondContact CA-O 2.98Å; K182-P229 HydrophobicContact CB-CB 4.4Å; K182-P229 HydrophobicContact CG-CB 4.18Å; T183-P229 PolarHBondContact N-O 2.92Å
230	V	90.2	Very high	74.8	Confident	41 Å²	41	53.6 Å²	53.6	25%	0.248	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	131.8	-179	-178.4	0	0	0	0	110.2	T183 V185 L223 F228	T183-V230 WeakPolarHBondContact O-CA 3.24Å; V185-V230 HydrophobicContact CG2-CG1 3.97Å; L223-V230 HydrophobicContact CB-CG2 3.54Å; F228-V230 HydrophobicContact CB-CG2 4.49Å; F228-V230 PolarHBondContact O-N 3.25Å
231	K	88.1	Confident	72.1	Confident	75 Å²	75	55.5 Å²	55.5	33%	0.326	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.9	164.5	-161.2	173.4	-152.4	173.2	0	108.5	T183 L184 V185 W249 E259 F261	T183-K231 PolarHBondContact O-N 2.93Å; L184-K231 WeakPolarHBondContact CA-O 3.39Å; L184-K231 HydrophobicContact CD1-CB 3.96Å; L184-K231 HydrophobicContact CD1-CD 4.48Å; L184-K231 HydrophobicContact CD1-CG 4.26Å; L184-K231 WeakPolarHBondContact CD1-O 3.23Å; V185-K231 PolarHBondContact N-O 3.22Å; K231-W249 HydrophobicContact CD-CH2 4.45Å; K231-E259 IonicContact NZ-OE2 3.91Å; K231-E259 PolarHBondContact NZ-OE2 2.97Å; K231-F261 HydrophobicContact CB-CE1 3.8Å; K231-F261 HydrophobicContact CB-CZ 4.13Å; K231-F261 HydrophobicContact CD-CE1 4.28Å; K231-F261 HydrophobicContact CD-CZ 3.81Å
232	T	81.7	Confident	69.4	Low	56 Å²	56	56.9 Å²	56.9	34%	0.344	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.2	177.7	-46.6	0	0	0	0	109.1	V185 S220 I234	V185-T232 HydrophobicContact CB-CG2 4.43Å; V185-T232 WeakPolarHBondContact O-CA 3.47Å; S220-T232 WeakPolarHBondContact CB-OG1 3.38Å; S220-T232 WeakPolarHBondContact OG-CG2 3.44Å; S220-T232 PolarHBondContact OG-OG1 2.72Å; T232-I234 HydrophobicContact CG2-CD1 4.21Å; T232-I234 HydrophobicContact CG2-CG1 3.92Å
233	M	76.6	Confident	66.5	Low	37 Å²	37	64 Å²	64	18%	0.182	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.5	171.4	-73.8	179.3	69.7	0	0	109	L184 V185 G187 W249	L184-M233 HydrophobicContact CD1-CG 3.88Å; L184-M233 HydrophobicContact CD1-SD 3.89Å; L184-M233 HydrophobicContact CD2-SD 4.17Å; V185-M233 PolarHBondContact O-N 2.68Å; G187-M233 PolarHBondContact N-O 3.17Å; M233-W249 HydrophobicContact CE-CB 3.58Å; M233-W249 VanDerWaalsContact CE-CD1 3.5Å; M233-W249 HydrophobicContact CE-CD2 4.17Å; M233-W249 HydrophobicContact CE-CG 3.44Å; M233-W249 VanDerWaalsContact CE-CG 3.44Å; M233-W249 HydrophobicContact SD-CB 4.29Å; M233-W249 HydrophobicContact SD-CD2 4.01Å; M233-W249 HydrophobicContact SD-CE3 4.49Å; M233-W249 HydrophobicContact SD-CG 3.91Å
234	I	66.1	Low	63.8	Low	63 Å²	63	72 Å²	72	32%	0.323	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	119.4	175.5	-60.7	179.7	0	0	0	107.6	G187 I213 L217 T232	G187-I234 WeakPolarHBondContact O-CA 2.85Å; I213-I234 HydrophobicContact CD1-CD1 4.42Å; I213-I234 HydrophobicContact CD1-CG2 3.59Å; I213-I234 HydrophobicContact CG1-CD1 4.17Å; I213-I234 HydrophobicContact CG1-CG2 4.06Å; L217-I234 HydrophobicContact CD2-CD1 3.61Å; L217-I234 HydrophobicContact CG-CD1 4.08Å; T232-I234 HydrophobicContact CG2-CD1 4.21Å; T232-I234 HydrophobicContact CG2-CG1 3.92Å
235	R	56.4	Low	62	Low	162 Å²	162	73.3 Å²	73.3	61%	0.611	40%	0.397	S	S	*	.	S	Bend	trans	71.8	92.6	175.6	-66.4	179.1	176.1	-170.8	-1.4	117.1	G187	G187-R235 PolarHBondContact O-N 2.97Å
236	S	37	Very low	59.8	Low	70 Å²	70	74.4 Å²	74.4	49%	0.49	40%	0.4	S	S	.	.			trans	55.4	106	145.9	69.3	0	0	0	0	120.7
237	I	39	Very low	57.8	Low	45 Å²	45	74 Å²	74	23%	0.231	40%	0.398	C	S	.	.				-143	135.2	127.2	-65	-165.5	0	0	0	108.7	L239 T250 D251	I237-L239 PolarHBondContact O-N 3.27Å; I237-T250 WeakPolarHBondContact CB-O 3.5Å; I237-T250 WeakPolarHBondContact CD1-O 3.39Å; I237-T250 WeakPolarHBondContact CG1-O 3.34Å; I237-T250 VanDerWaalsContact CG2-CB 3.4Å; I237-D251 WeakPolarHBondContact CD1-O 3.44Å
238	P	41.6	Very low	55.7	Low	79 Å²	79	75.5 Å²	75.5	51%	0.513	39%	0.39	S	S	.	.			trans	-61.4	128.6	178.7	25	-33.1	0	0	0	111.7
239	L	37.6	Very low	54.1	Low	11 Å²	11	75.1 Å²	75.1	6%	0.058	39%	0.387	C	S	.	.			trans	-77.7	132.7	172.8	-55.9	167.2	0	0	0	108.8	I161 I237 V247 E248 W249 W266	I161-L239 HydrophobicContact CD1-CB 3.94Å; I161-L239 HydrophobicContact CD1-CD1 3.92Å; I161-L239 HydrophobicContact CD1-CG 4.34Å; I237-L239 PolarHBondContact O-N 3.27Å; L239-V247 HydrophobicContact CD1-CG1 4.02Å; L239-V247 HydrophobicContact CD2-CG1 3.39Å; L239-V247 HydrophobicContact CG-CG1 4.3Å; L239-E248 WeakPolarHBondContact CA-O 3.37Å; L239-E248 WeakPolarHBondContact CD2-O 3.18Å; L239-W249 HydrophobicContact CD2-CB 3.58Å; L239-W266 HydrophobicContact CD1-CH2 3.68Å; L239-W266 HydrophobicContact CD1-CZ3 4.07Å
240	R	34.7	Very low	52.3	Low	203 Å²	203	73 Å²	73	77%	0.766	37%	0.373	S	S	*	.			trans	-122.2	136.4	169.3	-77.5	-171.8	-177.7	-178.7	1.8	108.7
241	G	34.2	Very low	51	Low	47 Å²	47	73 Å²	73	49%	0.485	37%	0.371	S	S	.	.			trans	87	101.9	173.7	0	0	0	0	0	112.5
242	F	32.7	Very low	49.6	Very low	36 Å²	36	77.7 Å²	77.7	16%	0.158	39%	0.394	C	S	.	.			trans	-124.8	103.6	168.2	-120	-86.3	0	0	0	106.8	E166 V247 L264	E166-F242 HydrophobicContact CB-CD1 3.89Å; E166-F242 HydrophobicContact CB-CE1 3.93Å; E166-F242 HydrophobicContact CG-CD1 3.88Å; E166-F242 HydrophobicContact CG-CE1 4.4Å; F242-V247 HydrophobicContact CE2-CG2 3.94Å; F242-V247 HydrophobicContact CZ-CG2 3.7Å; F242-L264 HydrophobicContact CE2-CD2 3.82Å; F242-L264 HydrophobicContact CZ-CD2 3.62Å
243	D	31.4	Very low	48.9	Very low	152 Å²	152	82.2 Å²	82.2	81%	0.813	41%	0.412	S	S	*	.	S	Bend	trans	-129.3	102.1	157.6	-105.5	-29.4	0	0	0	104.8
244	Q	38.4	Very low	48.4	Very low	166 Å²	166	83 Å²	83	78%	0.776	43%	0.429	S	S	*	.	S	Bend	trans	50.6	108.1	174.8	-59.8	-174.4	1.4	0	0	117.2	T246	Q244-T246 PolarHBondContact O-N 3.2Å
245	L	54.4	Low	48.5	Very low	98 Å²	98	86 Å²	86	51%	0.513	44%	0.44	S	S	.	.	S	Bend	trans	62.3	-5.6	165.4	-57.3	169.6	0	0	0	118.4	T260 F261	L245-T260 CarbonylContact O-C 3.42Å; L245-T260 WeakPolarHBondContact O-CA 3.43Å; L245-T260 WeakPolarHBondContact O-CB 3.31Å; L245-F261 WeakPolarHBondContact CD2-O 3.44Å; L245-F261 PolarHBondContact O-N 2.84Å
246	T	45.2	Very low	49	Very low	43 Å²	43	82.5 Å²	82.5	26%	0.264	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.2	-178.3	-55.2	0	0	0	0	111.6	Q244 S258	Q244-T246 PolarHBondContact O-N 3.2Å; T246-S258 WeakPolarHBondContact CG2-OG 3.44Å
247	V	51.5	Low	50.5	Low	2 Å²	2	82.4 Å²	82.4	1%	0.012	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.8	174.6	-177.1	0	0	0	0	109.4	L184 L239 F242 W249 S258 E259 F261	L184-V247 HydrophobicContact CD2-CB 4.06Å; L184-V247 HydrophobicContact CD2-CG1 3.6Å; L184-V247 HydrophobicContact CD2-CG2 3.84Å; L239-V247 HydrophobicContact CD1-CG1 4.02Å; L239-V247 HydrophobicContact CD2-CG1 3.39Å; L239-V247 HydrophobicContact CG-CG1 4.3Å; F242-V247 HydrophobicContact CE2-CG2 3.94Å; F242-V247 HydrophobicContact CZ-CG2 3.7Å; V247-W249 HydrophobicContact CB-CE3 4.47Å; V247-W249 HydrophobicContact CG1-CE3 4.05Å; V247-W249 WeakPolarHBondContact O-CZ3 3.49Å; V247-S258 WeakPolarHBondContact O-CA 3.42Å; V247-E259 PolarHBondContact N-O 2.9Å; V247-E259 PolarHBondContact O-N 2.87Å; V247-F261 HydrophobicContact CB-CD2 4.05Å; V247-F261 HydrophobicContact CB-CE2 4.11Å; V247-F261 HydrophobicContact CG2-CD2 3.63Å; V247-F261 HydrophobicContact CG2-CE2 4.15Å
248	E	47.4	Very low	52	Low	88 Å²	88	83.7 Å²	83.7	41%	0.411	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.9	169.1	-65.7	-168.1	167.2	0	0	111.5	L239 F257	L239-E248 WeakPolarHBondContact CA-O 3.37Å; L239-E248 WeakPolarHBondContact CD2-O 3.18Å; E248-F257 CarbonylContact C-O 3.42Å; E248-F257 VanDerWaalsContact CA-O 3.24Å; E248-F257 WeakPolarHBondContact CA-O 3.42Å
249	W	60.9	Low	53.8	Low	23 Å²	23	82.6 Å²	82.6	9%	0.087	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.7	169.9	72.9	95.8	0	0	0	110.6	K231 M233 L239 V247 F257 E259 F261	K231-W249 HydrophobicContact CD-CH2 4.45Å; M233-W249 HydrophobicContact CE-CB 3.58Å; M233-W249 VanDerWaalsContact CE-CD1 3.5Å; M233-W249 HydrophobicContact CE-CD2 4.17Å; M233-W249 HydrophobicContact CE-CG 3.44Å; M233-W249 VanDerWaalsContact CE-CG 3.44Å; M233-W249 HydrophobicContact SD-CB 4.29Å; M233-W249 HydrophobicContact SD-CD2 4.01Å; M233-W249 HydrophobicContact SD-CE3 4.49Å; M233-W249 HydrophobicContact SD-CG 3.91Å; L239-W249 HydrophobicContact CD2-CB 3.58Å; V247-W249 HydrophobicContact CB-CE3 4.47Å; V247-W249 HydrophobicContact CG1-CE3 4.05Å; V247-W249 WeakPolarHBondContact O-CZ3 3.49Å; W249-F257 HydrophobicContact CD2-CB 3.85Å; W249-F257 VanDerWaalsContact CE2-CB 3.41Å; W249-F257 AromaticContact CE2-CG 3.9Å; W249-F257 HydrophobicContact CE3-CB 4.16Å; W249-F257 HydrophobicContact CG-CB 4.48Å; W249-F257 HydrophobicContact CH2-CB 3.69Å; W249-F257 HydrophobicContact CZ2-CB 3.33Å; W249-F257 HydrophobicContact CZ2-CD1 4.3Å; W249-F257 HydrophobicContact CZ2-CD2 4.48Å; W249-F257 AromaticContact CZ2-CG 3.82Å; W249-F257 HydrophobicContact CZ2-CG 3.82Å; W249-F257 HydrophobicContact CZ3-CB 4.09Å; W249-F257 PolarHBondContact N-O 3.25Å; W249-F257 AromaticContact NE1-CD2 3.71Å; W249-F257 AromaticContact NE1-CG 3.92Å; W249-F257 PolarHBondContact O-N 3.36Å; W249-E259 HydrophobicContact CH2-CB 3.76Å; W249-E259 HydrophobicContact CZ3-CB 3.77Å; W249-F261 HydrophobicContact CZ3-CE2 4.29Å
250	T	53.2	Low	55.9	Low	37 Å²	37	85.8 Å²	85.8	23%	0.227	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	150.1	167.5	-36	0	0	0	0	108.5	I237 G254 K255 V256	I237-T250 WeakPolarHBondContact CB-O 3.5Å; I237-T250 WeakPolarHBondContact CD1-O 3.39Å; I237-T250 WeakPolarHBondContact CG1-O 3.34Å; I237-T250 VanDerWaalsContact CG2-CB 3.4Å; T250-G254 WeakPolarHBondContact CG2-O 3.46Å; T250-K255 CarbonylContact C-O 3.22Å; T250-K255 VanDerWaalsContact CA-O 3.22Å; T250-K255 WeakPolarHBondContact CA-O 3.21Å; T250-K255 WeakPolarHBondContact CG2-O 3.43Å; T250-V256 HydrophobicContact CG2-CG2 4.26Å
251	D	63.7	Low	58.4	Low	39 Å²	39	76.6 Å²	76.6	21%	0.209	41%	0.414	C	S	.	.			trans	-90.8	173.5	167.1	70.5	7.1	0	0	0	112	I237 H253 G254 K255 F257	I237-D251 WeakPolarHBondContact CD1-O 3.44Å; D251-H253 PolarHBondContact O-N 2.93Å; D251-H253 WeakPolarHBondContact OD1-CA 3.3Å; D251-H253 WeakPolarHBondContact OD1-CB 3.49Å; D251-H253 PolarHBondContact OD1-N 3.11Å; D251-G254 PolarHBondContact O-N 3.17Å; D251-G254 PolarHBondContact OD1-N 3.06Å; D251-G254 VanDerWaalsContact OD1-N 3.1Å; D251-K255 PolarHBondContact N-O 3.07Å; D251-K255 WeakPolarHBondContact OD1-CB 3.37Å; D251-K255 PolarHBondContact OD1-N 3.3Å; D251-F257 HydrophobicContact CB-CD2 4.39Å; D251-F257 HydrophobicContact CB-CE2 3.74Å; D251-F257 WeakPolarHBondContact OD2-CE2 3.21Å
252	E	59.1	Low	61.1	Low	174 Å²	174	79.3 Å²	79.3	81%	0.813	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-12.5	-179.9	62.6	-175	175	0	0	114
253	H	65.2	Low	63.9	Low	152 Å²	152	78.6 Å²	78.6	70%	0.704	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	3.1	177.3	-57.4	-60.4	0	0	0	113.8	D251 K255	D251-H253 PolarHBondContact O-N 2.93Å; D251-H253 WeakPolarHBondContact OD1-CA 3.3Å; D251-H253 WeakPolarHBondContact OD1-CB 3.49Å; D251-H253 PolarHBondContact OD1-N 3.11Å; H253-K255 VanDerWaalsContact C-N 3.34Å
254	G	66.2	Low	66.8	Low	54 Å²	54	71.8 Å²	71.8	56%	0.557	38%	0.379	S	S	*	.	S	Bend	trans	83.9	6.2	-178.9	0	0	0	0	0	114.2	T250 D251	T250-G254 WeakPolarHBondContact CG2-O 3.46Å; D251-G254 PolarHBondContact O-N 3.17Å; D251-G254 PolarHBondContact OD1-N 3.06Å; D251-G254 VanDerWaalsContact OD1-N 3.1Å
255	K	68.3	Low	69.3	Low	126 Å²	126	63.9 Å²	63.9	55%	0.548	34%	0.343	S	S	.	.			trans	-80.6	122.6	177.6	-176.8	176.3	175.2	-178.9	0	110.4	T250 D251 H253 F257	T250-K255 CarbonylContact C-O 3.22Å; T250-K255 VanDerWaalsContact CA-O 3.22Å; T250-K255 WeakPolarHBondContact CA-O 3.21Å; T250-K255 WeakPolarHBondContact CG2-O 3.43Å; D251-K255 PolarHBondContact N-O 3.07Å; D251-K255 WeakPolarHBondContact OD1-CB 3.37Å; D251-K255 PolarHBondContact OD1-N 3.3Å; H253-K255 VanDerWaalsContact C-N 3.34Å; K255-F257 HydrophobicContact CB-CE2 3.95Å; K255-F257 HydrophobicContact CB-CZ 4.47Å; K255-F257 HydrophobicContact CD-CE1 4.25Å; K255-F257 HydrophobicContact CD-CE2 3.92Å; K255-F257 HydrophobicContact CD-CZ 3.6Å; K255-F257 HydrophobicContact CG-CD2 4.41Å; K255-F257 HydrophobicContact CG-CE2 3.81Å; K255-F257 HydrophobicContact CG-CZ 4.01Å; K255-F257 VanDerWaalsContact O-CD2 3.27Å; K255-F257 WeakPolarHBondContact O-CD2 3.23Å; K255-F257 WeakPolarHBondContact O-CE2 3.46Å
256	V	67.8	Low	71	Confident	88 Å²	88	59.5 Å²	59.5	53%	0.533	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	129	175.7	-175.4	0	0	0	0	109.6	T250	T250-V256 HydrophobicContact CG2-CG2 4.26Å
257	F	67.4	Low	73.1	Confident	67 Å²	67	57.7 Å²	57.7	29%	0.294	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	143.8	171.1	-65	-95.1	0	0	0	108.3	E248 W249 D251 K255	E248-F257 CarbonylContact C-O 3.42Å; E248-F257 VanDerWaalsContact CA-O 3.24Å; E248-F257 WeakPolarHBondContact CA-O 3.42Å; W249-F257 HydrophobicContact CD2-CB 3.85Å; W249-F257 VanDerWaalsContact CE2-CB 3.41Å; W249-F257 AromaticContact CE2-CG 3.9Å; W249-F257 HydrophobicContact CE3-CB 4.16Å; W249-F257 HydrophobicContact CG-CB 4.48Å; W249-F257 HydrophobicContact CH2-CB 3.69Å; W249-F257 HydrophobicContact CZ2-CB 3.33Å; W249-F257 HydrophobicContact CZ2-CD1 4.3Å; W249-F257 HydrophobicContact CZ2-CD2 4.48Å; W249-F257 AromaticContact CZ2-CG 3.82Å; W249-F257 HydrophobicContact CZ2-CG 3.82Å; W249-F257 HydrophobicContact CZ3-CB 4.09Å; W249-F257 PolarHBondContact N-O 3.25Å; W249-F257 AromaticContact NE1-CD2 3.71Å; W249-F257 AromaticContact NE1-CG 3.92Å; W249-F257 PolarHBondContact O-N 3.36Å; D251-F257 HydrophobicContact CB-CD2 4.39Å; D251-F257 HydrophobicContact CB-CE2 3.74Å; D251-F257 WeakPolarHBondContact OD2-CE2 3.21Å; K255-F257 HydrophobicContact CB-CE2 3.95Å; K255-F257 HydrophobicContact CB-CZ 4.47Å; K255-F257 HydrophobicContact CD-CE1 4.25Å; K255-F257 HydrophobicContact CD-CE2 3.92Å; K255-F257 HydrophobicContact CD-CZ 3.6Å; K255-F257 HydrophobicContact CG-CD2 4.41Å; K255-F257 HydrophobicContact CG-CE2 3.81Å; K255-F257 HydrophobicContact CG-CZ 4.01Å; K255-F257 VanDerWaalsContact O-CD2 3.27Å; K255-F257 WeakPolarHBondContact O-CD2 3.23Å; K255-F257 WeakPolarHBondContact O-CE2 3.46Å
258	S	71.7	Confident	74.6	Confident	72 Å²	72	57.9 Å²	57.9	50%	0.503	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	124.6	175.5	-175.2	0	0	0	0	107.9	T246 V247	T246-S258 WeakPolarHBondContact CG2-OG 3.44Å; V247-S258 WeakPolarHBondContact O-CA 3.42Å
259	E	78.1	Confident	76.4	Confident	57 Å²	57	54.3 Å²	54.3	27%	0.266	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	145.1	179.6	-174.7	174.8	-178	0	0	110.1	K182 K231 V247 W249 F261	K182-E259 WeakPolarHBondContact CE-OE1 3.33Å; K182-E259 VanDerWaalsContact NZ-CG 3.31Å; K182-E259 IonicContact NZ-OE1 3.74Å; K182-E259 PolarHBondContact NZ-OE1 2.82Å; K231-E259 IonicContact NZ-OE2 3.91Å; K231-E259 PolarHBondContact NZ-OE2 2.97Å; V247-E259 PolarHBondContact N-O 2.9Å; V247-E259 PolarHBondContact O-N 2.87Å; W249-E259 HydrophobicContact CH2-CB 3.76Å; W249-E259 HydrophobicContact CZ3-CB 3.77Å; E259-F261 HydrophobicContact CB-CE2 3.85Å; E259-F261 HydrophobicContact CB-CZ 4.17Å; E259-F261 HydrophobicContact CG-CE2 3.97Å; E259-F261 HydrophobicContact CG-CZ 3.94Å; E259-F261 WeakPolarHBondContact O-CD2 3.42Å
260	T	82.4	Confident	77.7	Confident	78 Å²	78	55.1 Å²	55.1	48%	0.479	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	142.4	178.5	55.7	0	0	0	0	113.4	K182 L245	K182-T260 WeakPolarHBondContact CD-O 3.47Å; K182-T260 VanDerWaalsContact CE-O 3.26Å; K182-T260 WeakPolarHBondContact CE-O 3.47Å; K182-T260 PolarHBondContact NZ-O 2.86Å; L245-T260 CarbonylContact O-C 3.42Å; L245-T260 WeakPolarHBondContact O-CA 3.43Å; L245-T260 WeakPolarHBondContact O-CB 3.31Å
261	F	86.5	Confident	79.4	Confident	10 Å²	10	57 Å²	57	4%	0.044	31%	0.306	C	S	.	.			trans	-136.5	142.5	179.6	-63.2	-87.5	0	0	0	110.9	K182 L184 K231 L245 V247 W249 E259	K182-F261 HydrophobicContact CD-CD1 4.41Å; K182-F261 HydrophobicContact CG-CD1 3.92Å; K182-F261 HydrophobicContact CG-CE1 4.41Å; K182-F261 CarbonylContact O-C 3.56Å; L184-F261 HydrophobicContact CB-CB 4.36Å; L184-F261 HydrophobicContact CB-CD1 3.6Å; L184-F261 HydrophobicContact CB-CD2 3.89Å; L184-F261 HydrophobicContact CB-CE1 3.77Å; L184-F261 HydrophobicContact CB-CE2 4.03Å; L184-F261 HydrophobicContact CB-CG 3.67Å; L184-F261 HydrophobicContact CB-CZ 3.99Å; L184-F261 HydrophobicContact CD1-CE1 4.38Å; L184-F261 HydrophobicContact CD1-CZ 4.12Å; L184-F261 HydrophobicContact CD2-CD2 4.24Å; L184-F261 HydrophobicContact CD2-CE2 3.99Å; L184-F261 HydrophobicContact CD2-CZ 4.39Å; L184-F261 HydrophobicContact CG-CE2 4.41Å; L184-F261 HydrophobicContact CG-CZ 4.4Å; K231-F261 HydrophobicContact CB-CE1 3.8Å; K231-F261 HydrophobicContact CB-CZ 4.13Å; K231-F261 HydrophobicContact CD-CE1 4.28Å; K231-F261 HydrophobicContact CD-CZ 3.81Å; L245-F261 WeakPolarHBondContact CD2-O 3.44Å; L245-F261 PolarHBondContact O-N 2.84Å; V247-F261 HydrophobicContact CB-CD2 4.05Å; V247-F261 HydrophobicContact CB-CE2 4.11Å; V247-F261 HydrophobicContact CG2-CD2 3.63Å; V247-F261 HydrophobicContact CG2-CE2 4.15Å; W249-F261 HydrophobicContact CZ3-CE2 4.29Å; E259-F261 HydrophobicContact CB-CE2 3.85Å; E259-F261 HydrophobicContact CB-CZ 4.17Å; E259-F261 HydrophobicContact CG-CE2 3.97Å; E259-F261 HydrophobicContact CG-CZ 3.94Å; E259-F261 WeakPolarHBondContact O-CD2 3.42Å
262	D	91.7	Very high	80.8	Confident	103 Å²	103	56 Å²	56	55%	0.551	30%	0.302	S	S	*	.	S	Bend	trans	-75.4	-26.8	174.8	-59.9	-53	0	0	0	112	P180 K182	P180-D262 WeakPolarHBondContact O-CB 3.17Å; K182-D262 WeakPolarHBondContact CB-OD2 3.34Å; K182-D262 PolarHBondContact N-OD2 3.29Å; K182-D262 PolarHBondContact O-N 3.07Å
263	T	92	Very high	82.3	Confident	21 Å²	21	53.2 Å²	53.2	13%	0.129	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	136.9	179.1	-69.1	0	0	0	0	110.9	I168 P180 K182 T183 L184	I168-T263 HydrophobicContact CD1-CG2 3.69Å; I168-T263 HydrophobicContact CG1-CG2 3.9Å; P180-T263 WeakPolarHBondContact CA-OG1 3.31Å; P180-T263 HydrophobicContact CB-CG2 4.16Å; P180-T263 VanDerWaalsContact O-CB 3.23Å; P180-T263 WeakPolarHBondContact O-CB 3.34Å; P180-T263 PolarHBondContact O-OG1 3.49Å; K182-T263 PolarHBondContact O-N 3.4Å; T183-T263 CarbonylContact C-O 3.46Å; T183-T263 VanDerWaalsContact CA-O 3.3Å; T183-T263 WeakPolarHBondContact CA-O 3.34Å; T183-T263 HydrophobicContact CG2-CG2 4.06Å; L184-T263 PolarHBondContact N-O 2.86Å
264	L	91.6	Very high	83.5	Confident	9 Å²	9	46.2 Å²	46.2	5%	0.047	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.3	170.9	179.2	61.7	0	0	0	109.5	G167 I168 L184 V186 F242 W266	G167-L264 CarbonylContact C-O 3.55Å; G167-L264 WeakPolarHBondContact CA-O 2.94Å; I168-L264 WeakPolarHBondContact CG1-O 3.47Å; I168-L264 PolarHBondContact N-O 3.12Å; L184-L264 HydrophobicContact CB-CD1 3.91Å; L184-L264 HydrophobicContact CD2-CD1 3.71Å; L184-L264 HydrophobicContact CG-CD1 3.85Å; V186-L264 HydrophobicContact CG2-CD1 3.83Å; F242-L264 HydrophobicContact CE2-CD2 3.82Å; F242-L264 HydrophobicContact CZ-CD2 3.62Å; L264-W266 HydrophobicContact CD1-CH2 4.29Å; L264-W266 HydrophobicContact CD1-CZ3 4.45Å; L264-W266 HydrophobicContact CD2-CH2 3.48Å; L264-W266 VanDerWaalsContact CD2-CH2 3.48Å; L264-W266 HydrophobicContact CD2-CZ2 3.25Å; L264-W266 HydrophobicContact CD2-CZ3 4.36Å; L264-W266 HydrophobicContact CG-CH2 4.07Å; L264-W266 HydrophobicContact CG-CZ2 3.92Å
265	L	91.3	Very high	84.4	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	113.1	-178.3	-179.3	68.7	0	0	0	111.5	I168 T169 L173 T183 L184 V185 V186 C219 A267	I168-L265 HydrophobicContact CD1-CD1 4.4Å; I168-L265 HydrophobicContact CG1-CD1 4.06Å; I168-L265 CarbonylContact O-C 3.56Å; I168-L265 WeakPolarHBondContact O-CA 3.2Å; T169-L265 WeakPolarHBondContact O-CD1 3.29Å; L173-L265 HydrophobicContact CB-CD1 4.39Å; L173-L265 HydrophobicContact CD2-CD1 4.29Å; L173-L265 HydrophobicContact CD2-CD2 3.84Å; T183-L265 HydrophobicContact CG2-CB 4.48Å; L184-L265 PolarHBondContact O-N 3.01Å; V185-L265 HydrophobicContact CG1-CB 4.47Å; V185-L265 HydrophobicContact CG1-CD2 3.96Å; V185-L265 HydrophobicContact CG1-CG 4.4Å; V185-L265 HydrophobicContact CG2-CB 4.19Å; V185-L265 HydrophobicContact CG2-CD2 3.92Å; V186-L265 PolarHBondContact N-O 3.39Å; C219-L265 HydrophobicContact CB-CD2 3.49Å; C219-L265 VanDerWaalsContact CB-CD2 3.49Å; L265-A267 PolarHBondContact O-N 2.92Å
266	W	90.8	Very high	85.4	Confident	5 Å²	5	45.4 Å²	45.4	2%	0.019	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	113.4	172.4	-56.9	121.6	0	0	0	111.4	Y158 P159 I161 V164 I168 T169 V186 L239 L264 V268	Y158-W266 AromaticContact CD1-CD1 3.6Å; Y158-W266 HydrophobicContact CD1-CG 4.35Å; Y158-W266 AromaticContact CE1-CD1 3.73Å; P159-W266 HydrophobicContact CG-CD2 3.88Å; P159-W266 HydrophobicContact CG-CE3 3.64Å; P159-W266 HydrophobicContact CG-CH2 3.96Å; P159-W266 HydrophobicContact CG-CZ2 4.12Å; P159-W266 HydrophobicContact CG-CZ3 3.69Å; I161-W266 HydrophobicContact CD1-CH2 3.44Å; I161-W266 VanDerWaalsContact CD1-CH2 3.44Å; I161-W266 HydrophobicContact CD1-CZ2 3.96Å; I161-W266 HydrophobicContact CD1-CZ3 4.16Å; V164-W266 HydrophobicContact CG2-CZ2 4.47Å; V164-W266 PolarHBondContact O-NE1 3.26Å; I168-W266 PolarHBondContact O-N 2.83Å; T169-W266 HydrophobicContact CG2-CB 4.17Å; V186-W266 HydrophobicContact CB-CE3 3.88Å; V186-W266 HydrophobicContact CB-CZ3 3.9Å; V186-W266 HydrophobicContact CG1-CE3 4.24Å; V186-W266 HydrophobicContact CG1-CZ3 4.07Å; V186-W266 HydrophobicContact CG2-CE3 4.19Å; V186-W266 HydrophobicContact CG2-CZ3 3.81Å; L239-W266 HydrophobicContact CD1-CH2 3.68Å; L239-W266 HydrophobicContact CD1-CZ3 4.07Å; L264-W266 HydrophobicContact CD1-CH2 4.29Å; L264-W266 HydrophobicContact CD1-CZ3 4.45Å; L264-W266 HydrophobicContact CD2-CH2 3.48Å; L264-W266 VanDerWaalsContact CD2-CH2 3.48Å; L264-W266 HydrophobicContact CD2-CZ2 3.25Å; L264-W266 HydrophobicContact CD2-CZ3 4.36Å; L264-W266 HydrophobicContact CG-CH2 4.07Å; L264-W266 HydrophobicContact CG-CZ2 3.92Å; W266-V268 HydrophobicContact CE3-CG1 4.48Å
267	A	87.7	Confident	86.6	Confident	6 Å²	6	41.4 Å²	41.4	5%	0.05	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	43	172.7	0	0	0	0	0	110.6	V186 S212 V215 A216 L265 G269	V186-A267 CarbonylContact O-C 3.5Å; V186-A267 WeakPolarHBondContact O-CA 3.42Å; V186-A267 PolarHBondContact O-N 3.32Å; S212-A267 WeakPolarHBondContact CB-O 3.48Å; S212-A267 VanDerWaalsContact O-O 3.11Å; V215-A267 HydrophobicContact CB-CB 4.34Å; V215-A267 HydrophobicContact CG1-CB 4.04Å; A216-A267 HydrophobicContact CB-CB 3.69Å; L265-A267 PolarHBondContact O-N 2.92Å; A267-G269 VanDerWaalsContact C-N 3.28Å; A267-G269 PolarHBondContact O-N 2.99Å
268	V	84.4	Confident	87.9	Confident	6 Å²	6	39.7 Å²	39.7	4%	0.036	23%	0.225	C	C	.	.	S	Bend	trans	-88.1	11.1	-171.7	-60.4	0	0	0	0	114.5	K157 V186 G188 S189 W266	K157-V268 HydrophobicContact CB-CG2 4.13Å; K157-V268 VanDerWaalsContact O-CG2 3.31Å; K157-V268 WeakPolarHBondContact O-CG2 3.23Å; V186-V268 HydrophobicContact CG1-CG1 4Å; G188-V268 VanDerWaalsContact O-CA 3.23Å; G188-V268 WeakPolarHBondContact O-CA 3.37Å; G188-V268 WeakPolarHBondContact O-CB 3.46Å; S189-V268 WeakPolarHBondContact CA-O 3.39Å; W266-V268 HydrophobicContact CE3-CG1 4.48Å
269	G	83.5	Confident	88.9	Confident	13 Å²	13	37 Å²	37	13%	0.134	21%	0.205	C	C	.	.			trans	121.8	179.2	-179.1	0	0	0	0	0	112.6	K157 A267	K157-G269 PolarHBondContact N-O 3.35Å; A267-G269 VanDerWaalsContact C-N 3.28Å; A267-G269 PolarHBondContact O-N 2.99Å
270	R	88.9	Confident	89.7	Confident	39 Å²	39	39.8 Å²	39.8	15%	0.147	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	152.1	-179	-61	-177.6	73.2	85.8	3.2	109	I154 R155 S170 D171	I154-R270 HydrophobicContact CB-CB 4.14Å; I154-R270 HydrophobicContact CD1-CB 3.43Å; I154-R270 VanDerWaalsContact CD1-CB 3.43Å; I154-R270 HydrophobicContact CD1-CG 4.36Å; I154-R270 HydrophobicContact CG1-CB 3.73Å; I154-R270 PolarHBondContact O-NH2 3.21Å; R155-R270 CarbonylContact O-C 3.47Å; R155-R270 WeakPolarHBondContact O-CA 3.11Å; R155-R270 WeakPolarHBondContact O-CB 3.28Å; S170-R270 PolarHBondContact OG-NH1 3.31Å; D171-R270 IonicContact OD1-CZ 3.11Å; D171-R270 IonicContact OD1-NH1 2.62Å; D171-R270 PolarHBondContact OD1-NH1 3.41Å; D171-R270 IonicContact OD1-NH2 2.76Å
271	E	89.6	Confident	90.3	Very high	78 Å²	78	41.8 Å²	41.8	36%	0.364	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	149.5	-176.7	64	-173.7	-173.1	0	0	113	I154 R155 K157	I154-E271 CarbonylContact C-O 3.56Å; I154-E271 VanDerWaalsContact CA-O 3.29Å; I154-E271 WeakPolarHBondContact CA-O 3.47Å; I154-E271 WeakPolarHBondContact CB-O 3.5Å; R155-E271 PolarHBondContact N-O 3.01Å; R155-E271 PolarHBondContact O-N 3.21Å; K157-E271 HydrophobicContact CD-CB 4.38Å; K157-E271 WeakPolarHBondContact CE-OE2 3.12Å; K157-E271 HydrophobicContact CG-CB 3.91Å; K157-E271 HydrophobicContact CG-CG 3.83Å
272	P	91.7	Very high	90.7	Very high	18 Å²	18	41.7 Å²	41.7	12%	0.117	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	142.1	172.5	32.3	-36.4	0	0	0	110.6	I154 L274 G291 K292 I312	I154-P272 HydrophobicContact CG2-CB 4.16Å; P272-L274 HydrophobicContact CB-CD1 4.07Å; P272-L274 HydrophobicContact CB-CG 4.03Å; P272-L274 HydrophobicContact CG-CD1 4.49Å; P272-G291 VanDerWaalsContact CG-C 3.42Å; P272-G291 WeakPolarHBondContact CG-O 2.94Å; P272-K292 HydrophobicContact CG-CG 3.92Å; P272-I312 HydrophobicContact CB-CG2 4.25Å
273	R	90.6	Very high	90.8	Very high	114 Å²	114	38.7 Å²	38.7	43%	0.43	22%	0.218	S	C	.	.			trans	-106	60.2	174.7	-66	-164.4	-179.2	-173	2	111.3	R155 S276	R155-R273 HydrophobicContact CB-CG 4.39Å; R155-R273 HydrophobicContact CG-CG 4.2Å; R273-S276 PolarHBondContact O-OG 3.06Å
274	L	91.5	Very high	91	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.026	21%	0.214	C	C	.	.			trans	-83.5	-27.9	-174.6	-64.5	167.7	0	0	0	113.4	I150 P272 S276 M277 I279 G291 L293	I150-L274 HydrophobicContact CG2-CD2 4.33Å; P272-L274 HydrophobicContact CB-CD1 4.07Å; P272-L274 HydrophobicContact CB-CG 4.03Å; P272-L274 HydrophobicContact CG-CD1 4.49Å; L274-S276 VanDerWaalsContact C-N 3.27Å; L274-S276 PolarHBondContact O-N 3.16Å; L274-M277 HydrophobicContact CD2-SD 4.19Å; L274-M277 WeakPolarHBondContact O-CB 3.15Å; L274-M277 PolarHBondContact O-N 3.35Å; L274-I279 HydrophobicContact CB-CD1 3.93Å; L274-I279 HydrophobicContact CB-CG1 4.44Å; L274-I279 HydrophobicContact CB-CG2 4.24Å; L274-G291 WeakPolarHBondContact CD1-O 3.41Å; L274-L293 HydrophobicContact CD1-CD1 4.39Å; L274-L293 HydrophobicContact CD1-CD2 4.01Å; L274-L293 HydrophobicContact CD1-CG 3.66Å; L274-L293 HydrophobicContact CD2-CD1 4.25Å; L274-L293 HydrophobicContact CD2-CG 4.38Å
275	S	85.4	Confident	91	Very high	106 Å²	106	40.6 Å²	40.6	74%	0.741	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-58.4	-38.4	-179.7	51.8	0	0	0	0	112.5	M277 S278	S275-M277 PolarHBondContact O-N 3.49Å; S275-S278 PolarHBondContact O-N 3.46Å
276	S	89.1	Confident	91	Very high	58 Å²	58	42.6 Å²	42.6	41%	0.406	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-70.4	-7	177.1	55.8	0	0	0	0	114.2	Y123 R273 L274	Y123-S276 WeakPolarHBondContact OH-CB 3.18Å; Y123-S276 PolarHBondContact OH-OG 3.42Å; R273-S276 PolarHBondContact O-OG 3.06Å; L274-S276 VanDerWaalsContact C-N 3.27Å; L274-S276 PolarHBondContact O-N 3.16Å
277	M	93.2	Very high	90.9	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.02	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-95	1.9	178.7	-62.7	177	58.6	0	0	113.7	I17 Y123 T125 F126 I150 T152 L274 S275 I279	I17-M277 HydrophobicContact CB-CE 4.32Å; I17-M277 HydrophobicContact CD1-CE 4.07Å; I17-M277 HydrophobicContact CG2-CE 3.62Å; Y123-M277 WeakPolarHBondContact OH-CG 3.37Å; T125-M277 WeakPolarHBondContact CA-O 3.47Å; F126-M277 HydrophobicContact CE2-CE 4.11Å; F126-M277 PolarHBondContact N-O 3.21Å; I150-M277 HydrophobicContact CG2-CE 4.23Å; T152-M277 HydrophobicContact CG2-CE 3.69Å; T152-M277 HydrophobicContact CG2-SD 3.48Å; T152-M277 WeakPolarHBondContact CG2-SD 3.33Å; L274-M277 HydrophobicContact CD2-SD 4.19Å; L274-M277 WeakPolarHBondContact O-CB 3.15Å; L274-M277 PolarHBondContact O-N 3.35Å; S275-M277 PolarHBondContact O-N 3.49Å; M277-I279 VanDerWaalsContact C-N 3.28Å; M277-I279 HydrophobicContact CB-CG2 4.03Å; M277-I279 PolarHBondContact O-N 2.98Å
278	S	93.6	Very high	90.8	Very high	30 Å²	30	47.9 Å²	47.9	21%	0.21	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	39.1	-175.8	-53.7	0	0	0	0	113.4	S275 D280 K281	S275-S278 PolarHBondContact O-N 3.46Å; S278-D280 VanDerWaalsContact CA-OD1 3.31Å; S278-D280 WeakPolarHBondContact CA-OD1 3.38Å; S278-D280 PolarHBondContact O-N 3.47Å; S278-D280 VanDerWaalsContact O-N 3.13Å; S278-K281 WeakPolarHBondContact O-CB 3.5Å; S278-K281 PolarHBondContact O-N 2.79Å
279	I	94	Very high	90.6	Very high	17 Å²	17	53.5 Å²	53.5	9%	0.087	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-60	-23.4	-176.7	57.3	155.6	0	0	0	113.6	F126 L274 M277 K281 A282 G283 L284 C286	F126-I279 HydrophobicContact CD2-CG2 4.17Å; F126-I279 HydrophobicContact CE2-CG2 4.21Å; L274-I279 HydrophobicContact CB-CD1 3.93Å; L274-I279 HydrophobicContact CB-CG1 4.44Å; L274-I279 HydrophobicContact CB-CG2 4.24Å; M277-I279 VanDerWaalsContact C-N 3.28Å; M277-I279 HydrophobicContact CB-CG2 4.03Å; M277-I279 PolarHBondContact O-N 2.98Å; I279-K281 VanDerWaalsContact C-N 3.27Å; I279-K281 PolarHBondContact O-N 2.82Å; I279-A282 PolarHBondContact O-N 2.81Å; I279-A282 VanDerWaalsContact O-N 3.17Å; I279-G283 PolarHBondContact O-N 2.86Å; I279-L284 HydrophobicContact CB-CB 4.13Å; I279-L284 HydrophobicContact CB-CD1 4.07Å; I279-L284 HydrophobicContact CG2-CD1 4.14Å; I279-L284 PolarHBondContact O-N 2.91Å; I279-L284 VanDerWaalsContact O-N 3.15Å; I279-C286 WeakPolarHBondContact CD1-SG 3.45Å
280	D	93.5	Very high	90.6	Very high	114 Å²	114	54.5 Å²	54.5	61%	0.61	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-59.6	-35.9	173.4	54.7	-67.9	0	0	0	112	S278 A282 G283	S278-D280 VanDerWaalsContact CA-OD1 3.31Å; S278-D280 WeakPolarHBondContact CA-OD1 3.38Å; S278-D280 PolarHBondContact O-N 3.47Å; S278-D280 VanDerWaalsContact O-N 3.13Å; D280-A282 PolarHBondContact O-N 2.81Å; D280-G283 PolarHBondContact O-N 2.85Å
281	K	95.4	Very high	90.7	Very high	121 Å²	121	54.1 Å²	54.1	53%	0.526	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-68	-24.7	177	-63.2	-175.4	-179.5	172.6	0	113.5	F126 S278 I279	F126-K281 WeakPolarHBondContact O-CD 3.39Å; S278-K281 WeakPolarHBondContact O-CB 3.5Å; S278-K281 PolarHBondContact O-N 2.79Å; I279-K281 VanDerWaalsContact C-N 3.27Å; I279-K281 PolarHBondContact O-N 2.82Å
282	A	95	Very high	90.8	Very high	8 Å²	8	51 Å²	51	7%	0.066	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-88.5	-6.4	171.7	0	0	0	0	0	112.6	F126 I279 D280 L284 V303 I306	F126-A282 HydrophobicContact CB-CB 4.13Å; F126-A282 HydrophobicContact CD1-CB 3.56Å; F126-A282 HydrophobicContact CE1-CB 4.06Å; F126-A282 HydrophobicContact CG-CB 3.85Å; I279-A282 PolarHBondContact O-N 2.81Å; I279-A282 VanDerWaalsContact O-N 3.17Å; D280-A282 PolarHBondContact O-N 2.81Å; A282-L284 VanDerWaalsContact C-N 3.35Å; A282-L284 HydrophobicContact CB-CD1 4.04Å; A282-L284 HydrophobicContact CB-CG 4.04Å; A282-V303 VanDerWaalsContact O-CG2 3.22Å; A282-V303 WeakPolarHBondContact O-CG2 3.29Å; A282-I306 HydrophobicContact CB-CD1 3.87Å
283	G	94.2	Very high	90.9	Very high	39 Å²	39	50.2 Å²	50.2	40%	0.402	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	18.8	-177	0	0	0	0	0	114.3	I279 D280 N302	I279-G283 PolarHBondContact O-N 2.86Å; D280-G283 PolarHBondContact O-N 2.85Å; G283-N302 PolarHBondContact O-ND2 3.21Å
284	L	95	Very high	90.9	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.052	27%	0.273	C	S	.	.			trans	-76.3	140.5	-175.9	-69.8	166.4	0	0	0	112.7	F126 I150 I279 A282 L293 T301 V303 I306	F126-L284 HydrophobicContact CE2-CD1 4.07Å; F126-L284 HydrophobicContact CZ-CD1 4.03Å; I150-L284 HydrophobicContact CD1-CD1 3.52Å; I279-L284 HydrophobicContact CB-CB 4.13Å; I279-L284 HydrophobicContact CB-CD1 4.07Å; I279-L284 HydrophobicContact CG2-CD1 4.14Å; I279-L284 PolarHBondContact O-N 2.91Å; I279-L284 VanDerWaalsContact O-N 3.15Å; A282-L284 VanDerWaalsContact C-N 3.35Å; A282-L284 HydrophobicContact CB-CD1 4.04Å; A282-L284 HydrophobicContact CB-CG 4.04Å; L284-L293 HydrophobicContact CB-CD2 4.1Å; L284-T301 HydrophobicContact CD2-CG2 3.89Å; L284-T301 VanDerWaalsContact CD2-OG1 3.27Å; L284-T301 WeakPolarHBondContact CD2-OG1 3.33Å; L284-V303 HydrophobicContact CD2-CB 4.16Å; L284-V303 HydrophobicContact CD2-CG2 3.88Å; L284-V303 HydrophobicContact CG-CG2 4.33Å; L284-I306 HydrophobicContact CD1-CD1 4.22Å; L284-I306 HydrophobicContact CD1-CG2 4.27Å; L284-I306 HydrophobicContact CD2-CB 4.13Å; L284-I306 HydrophobicContact CD2-CD1 4.09Å; L284-I306 HydrophobicContact CD2-CG2 3.85Å; L284-I306 HydrophobicContact CG-CD1 4.23Å
285	L	93	Very high	91	Very high	60 Å²	60	45.2 Å²	45.2	31%	0.314	27%	0.272	S	S	.	.			trans	-103	135.9	-179.5	-61.3	175.4	0	0	0	112.6	I294 N302 I328	L285-I294 PolarHBondContact O-N 3.38Å; L285-I294 VanDerWaalsContact O-N 3.12Å; L285-N302 HydrophobicContact CD1-CB 4.1Å; L285-N302 HydrophobicContact CG-CB 4.46Å; L285-N302 PolarHBondContact N-OD1 2.87Å; L285-I328 HydrophobicContact CD1-CB 4.37Å; L285-I328 HydrophobicContact CD1-CD1 3.38Å; L285-I328 HydrophobicContact CD1-CG1 3.78Å; L285-I328 HydrophobicContact CD1-CG2 3.66Å
286	C	91.1	Very high	91.2	Very high	43 Å²	43	42 Å²	42	29%	0.291	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-110.9	148.1	172.5	-67.8	0	0	0	0	111	I279 K292	I279-C286 WeakPolarHBondContact CD1-SG 3.45Å; C286-K292 CarbonylContact C-O 3.6Å; C286-K292 WeakPolarHBondContact CA-O 3.42Å
287	H	89.1	Confident	91.3	Very high	22 Å²	22	42.7 Å²	42.7	10%	0.102	25%	0.246	C	C	.	.			trans	-69.9	127	170.8	178.2	-96.6	0	0	0	109.8	K289 S290 G291 K292 I294 H314	H287-K289 VanDerWaalsContact C-N 3.29Å; H287-K289 PolarHBondContact O-N 3.14Å; H287-K289 VanDerWaalsContact O-N 3.16Å; H287-S290 WeakPolarHBondContact CB-OG 3.4Å; H287-S290 PolarHBondContact ND1-N 2.98Å; H287-S290 PolarHBondContact ND1-OG 2.91Å; H287-S290 PolarHBondContact O-N 3.08Å; H287-G291 WeakPolarHBondContact O-CA 3.36Å; H287-G291 PolarHBondContact O-N 3.35Å; H287-K292 PolarHBondContact N-O 2.89Å; H287-I294 HydrophobicContact CB-CD1 4.41Å; H287-I294 HydrophobicContact CB-CG1 4.07Å; H287-H314 HydrophobicContact CB-CB 4.07Å; H287-H314 AromaticContact CD2-CD2 3.8Å; H287-H314 AromaticContact CD2-CE1 3.98Å; H287-H314 AromaticContact CD2-NE2 3.48Å; H287-H314 PolarHBondContact CD2-NE2 3.17Å; H287-H314 AromaticContact CE1-CE1 3.67Å; H287-H314 AromaticContact CE1-NE2 3.78Å; H287-H314 AromaticContact CG-CD2 3.72Å; H287-H314 AromaticContact CG-CE1 3.62Å; H287-H314 AromaticContact CG-CG 3.88Å; H287-H314 AromaticContact CG-ND1 3.85Å; H287-H314 AromaticContact CG-NE2 3.53Å; H287-H314 AromaticContact ND1-CE1 3.42Å; H287-H314 PolarHBondContact ND1-CE1 3.37Å; H287-H314 AromaticContact ND1-ND1 3.81Å; H287-H314 AromaticContact ND1-NE2 3.72Å; H287-H314 AromaticContact NE2-NE2 3.66Å
288	P	84.9	Confident	91.2	Very high	100 Å²	100	48 Å²	48	65%	0.649	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.4	-165.4	21.9	-34.1	0	0	0	114.2
289	K	80.8	Confident	91.3	Very high	125 Å²	125	46.6 Å²	46.6	54%	0.543	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-38.5	-179.1	-174.2	178.3	178.7	178.9	0	113.4	H287	H287-K289 VanDerWaalsContact C-N 3.29Å; H287-K289 PolarHBondContact O-N 3.14Å; H287-K289 VanDerWaalsContact O-N 3.16Å
290	S	83.7	Confident	91.3	Very high	33 Å²	33	48.4 Å²	48.4	23%	0.231	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-17	-174.6	55.7	0	0	0	0	112.5	H287 K292 H314	H287-S290 WeakPolarHBondContact CB-OG 3.4Å; H287-S290 PolarHBondContact ND1-N 2.98Å; H287-S290 PolarHBondContact ND1-OG 2.91Å; H287-S290 PolarHBondContact O-N 3.08Å; S290-K292 PolarHBondContact O-N 3.31Å; S290-H314 PolarHBondContact OG-CE1 2.87Å; S290-H314 PolarHBondContact OG-ND1 3.2Å
291	G	90.1	Very high	91.4	Very high	32 Å²	32	43.2 Å²	43.2	33%	0.33	24%	0.236	S	C	.	.			trans	67.3	7	-173.9	0	0	0	0	0	113.8	P272 L274 H287	P272-G291 VanDerWaalsContact CG-C 3.42Å; P272-G291 WeakPolarHBondContact CG-O 2.94Å; L274-G291 WeakPolarHBondContact CD1-O 3.41Å; H287-G291 WeakPolarHBondContact O-CA 3.36Å; H287-G291 PolarHBondContact O-N 3.35Å
292	K	92.5	Very high	91.3	Very high	12 Å²	12	39.4 Å²	39.4	5%	0.052	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-89.5	153.7	-174.8	-73.3	-170.7	-174.1	-155.8	0	111.8	P272 C286 H287 S290 D311 I312 Q313 H314 E359	P272-K292 HydrophobicContact CG-CG 3.92Å; C286-K292 CarbonylContact C-O 3.6Å; C286-K292 WeakPolarHBondContact CA-O 3.42Å; H287-K292 PolarHBondContact N-O 2.89Å; S290-K292 PolarHBondContact O-N 3.31Å; K292-D311 WeakPolarHBondContact CD-O 3.24Å; K292-D311 WeakPolarHBondContact CE-O 3.46Å; K292-D311 PolarHBondContact NZ-O 2.67Å; K292-I312 CarbonylContact C-O 3.59Å; K292-I312 VanDerWaalsContact CB-O 3.27Å; K292-I312 WeakPolarHBondContact CB-O 3.34Å; K292-Q313 WeakPolarHBondContact CD-O 3.4Å; K292-H314 HydrophobicContact CB-CB 3.77Å; K292-E359 WeakPolarHBondContact CE-OE1 3.37Å; K292-E359 IonicContact NZ-OE1 2.68Å; K292-E359 PolarHBondContact NZ-OE1 3.47Å
293	L	93.1	Very high	91.4	Very high	1 Å²	1	40 Å²	40	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	131.6	178	-70.6	171.3	0	0	0	111	I150 L274 L284 A308 I312 H314	I150-L293 HydrophobicContact CB-CD1 4.05Å; I150-L293 HydrophobicContact CD1-CD1 3.57Å; I150-L293 HydrophobicContact CG1-CD1 4.38Å; I150-L293 HydrophobicContact CG2-CD1 4.08Å; L274-L293 HydrophobicContact CD1-CD1 4.39Å; L274-L293 HydrophobicContact CD1-CD2 4.01Å; L274-L293 HydrophobicContact CD1-CG 3.66Å; L274-L293 HydrophobicContact CD2-CD1 4.25Å; L274-L293 HydrophobicContact CD2-CG 4.38Å; L284-L293 HydrophobicContact CB-CD2 4.1Å; L293-A308 HydrophobicContact CB-CB 4.16Å; L293-A308 HydrophobicContact CD1-CB 3.56Å; L293-I312 HydrophobicContact CD1-CD1 3.86Å; L293-I312 PolarHBondContact N-O 3.44Å; L293-H314 PolarHBondContact O-N 3.01Å
294	I	91.8	Very high	91.3	Very high	15 Å²	15	45.3 Å²	45.3	8%	0.077	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	126.8	174.8	-60.5	171.8	0	0	0	108.5	L285 H287 H314 Y316	L285-I294 PolarHBondContact O-N 3.38Å; L285-I294 VanDerWaalsContact O-N 3.12Å; H287-I294 HydrophobicContact CB-CD1 4.41Å; H287-I294 HydrophobicContact CB-CG1 4.07Å; I294-H314 WeakPolarHBondContact CA-O 3.49Å; I294-Y316 HydrophobicContact CG2-CD2 4.06Å
295	V	92	Very high	91.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	158.9	178	-62	0	0	0	0	112.3	K300 T301 A308 Q313 H314	V295-K300 WeakPolarHBondContact CA-O 3.45Å; V295-K300 WeakPolarHBondContact CB-O 3.35Å; V295-T301 HydrophobicContact CG1-CG2 4.23Å; V295-A308 HydrophobicContact CG1-CB 3.85Å; V295-Q313 HydrophobicContact CG1-CG 4.35Å; V295-Q313 HydrophobicContact CG2-CB 3.89Å; V295-Q313 HydrophobicContact CG2-CG 3.86Å; V295-H314 PolarHBondContact N-O 2.94Å
296	D	90.8	Very high	91.6	Very high	39 Å²	39	42.8 Å²	42.8	21%	0.209	23%	0.225	C	C	.	.			trans	-91.8	-172.8	169.2	71.6	8.9	0	0	0	113	W298 D299 K300 R357	D296-W298 PolarHBondContact O-N 2.9Å; D296-W298 VanDerWaalsContact OD1-CA 3.32Å; D296-W298 WeakPolarHBondContact OD1-CA 3.33Å; D296-W298 WeakPolarHBondContact OD1-CB 3.44Å; D296-W298 PolarHBondContact OD1-N 3.3Å; D296-D299 PolarHBondContact O-N 2.94Å; D296-D299 PolarHBondContact OD1-N 2.9Å; D296-K300 PolarHBondContact N-O 3.13Å; D296-K300 WeakPolarHBondContact OD1-CB 3.3Å; D296-K300 PolarHBondContact OD1-N 3.19Å; D296-R357 PolarHBondContact O-NH2 2.95Å
297	D	89.8	Confident	91.8	Very high	72 Å²	72	42.1 Å²	42.1	39%	0.385	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-18	178.4	-75.7	-41	0	0	0	114.1	D299 F315 R357 L382	D297-D299 VanDerWaalsContact C-N 3.29Å; D297-F315 HydrophobicContact CB-CE2 4.45Å; D297-F315 WeakPolarHBondContact OD1-CE2 3.49Å; D297-F315 WeakPolarHBondContact OD1-CZ 3.27Å; D297-R357 IonicContact OD1-NH2 3.88Å; D297-L382 HydrophobicContact CB-CD1 4.2Å
298	W	93	Very high	92.1	Very high	115 Å²	115	41 Å²	41	44%	0.436	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	7.2	178.4	-67.5	77.4	0	0	0	112.8	D296 K300 R374 K380 L382	D296-W298 PolarHBondContact O-N 2.9Å; D296-W298 VanDerWaalsContact OD1-CA 3.32Å; D296-W298 WeakPolarHBondContact OD1-CA 3.33Å; D296-W298 WeakPolarHBondContact OD1-CB 3.44Å; D296-W298 PolarHBondContact OD1-N 3.3Å; W298-K300 HydrophobicContact CB-CB 4.48Å; W298-K300 PolarHBondContact O-N 2.69Å; W298-R374 PolarHBondContact O-NH2 3.44Å; W298-K380 HydrophobicContact CH2-CB 4.44Å; W298-L382 HydrophobicContact CD2-CD2 3.71Å; W298-L382 HydrophobicContact CE3-CD2 3.94Å; W298-L382 HydrophobicContact CG-CD2 4.08Å; W298-L382 HydrophobicContact CH2-CD2 4.44Å; W298-L382 HydrophobicContact CZ2-CD2 4.25Å; W298-L382 HydrophobicContact CZ3-CD2 4.31Å
299	D	93.9	Very high	92.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	65.9	15	-173.8	-52.9	-58.1	0	0	0	113	D296 D297 Y307 A308 I309 Q313 R357 S367 L371 R374 Y385	D296-D299 PolarHBondContact O-N 2.94Å; D296-D299 PolarHBondContact OD1-N 2.9Å; D297-D299 VanDerWaalsContact C-N 3.29Å; D299-Y307 CarbonylContact O-C 3.59Å; D299-Y307 VanDerWaalsContact O-CA 3.27Å; D299-Y307 WeakPolarHBondContact O-CA 3.37Å; D299-Y307 WeakPolarHBondContact O-CB 3.5Å; D299-A308 PolarHBondContact O-N 3.15Å; D299-I309 HydrophobicContact CB-CG2 4.11Å; D299-Q313 PolarHBondContact OD1-NE2 3.46Å; D299-R357 IonicContact OD1-CZ 3.49Å; D299-R357 IonicContact OD1-NH1 3.81Å; D299-R357 PolarHBondContact OD1-NH1 3.2Å; D299-S367 PolarHBondContact OD1-OG 2.88Å; D299-S367 PolarHBondContact OD2-OG 2.89Å; D299-L371 HydrophobicContact CB-CD2 4.42Å; D299-R374 IonicContact OD2-CZ 2.76Å; D299-R374 IonicContact OD2-NH1 3.03Å; D299-R374 IonicContact OD2-NH2 3.21Å; D299-R374 PolarHBondContact OD2-NH2 2.89Å; D299-Y385 PolarHBondContact OD1-OH 3.39Å
300	K	94.9	Very high	93.1	Very high	55 Å²	55	30.7 Å²	30.7	24%	0.239	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-86.7	139	-176.1	-167.1	177.4	179	162.8	0	110.6	V295 D296 W298 E304 Y307	V295-K300 WeakPolarHBondContact CA-O 3.45Å; V295-K300 WeakPolarHBondContact CB-O 3.35Å; D296-K300 PolarHBondContact N-O 3.13Å; D296-K300 WeakPolarHBondContact OD1-CB 3.3Å; D296-K300 PolarHBondContact OD1-N 3.19Å; W298-K300 HydrophobicContact CB-CB 4.48Å; W298-K300 PolarHBondContact O-N 2.69Å; K300-E304 VanDerWaalsContact CE-CA 3.47Å; K300-E304 WeakPolarHBondContact CE-O 3.24Å; K300-E304 PolarHBondContact NZ-O 2.88Å; K300-E304 IonicContact NZ-OE1 2.66Å; K300-Y307 HydrophobicContact CB-CD1 3.94Å; K300-Y307 HydrophobicContact CB-CE1 3.89Å; K300-Y307 HydrophobicContact CD-CE1 4.36Å; K300-Y307 HydrophobicContact CG-CD1 4.22Å; K300-Y307 HydrophobicContact CG-CE1 3.89Å
301	T	94.8	Very high	93.5	Very high	6 Å²	6	30.6 Å²	30.6	4%	0.037	16%	0.155	C	C	.	.			trans	-83.1	-172.6	174.8	71.5	0	0	0	0	110.9	L284 V295 V303 I306 A308	L284-T301 HydrophobicContact CD2-CG2 3.89Å; L284-T301 VanDerWaalsContact CD2-OG1 3.27Å; L284-T301 WeakPolarHBondContact CD2-OG1 3.33Å; V295-T301 HydrophobicContact CG1-CG2 4.23Å; T301-V303 PolarHBondContact O-N 3.42Å; T301-V303 PolarHBondContact OG1-N 3.18Å; T301-V303 VanDerWaalsContact OG1-N 3.13Å; T301-V303 PolarHBondContact OG1-O 3.17Å; T301-I306 WeakPolarHBondContact CB-O 3.49Å; T301-I306 HydrophobicContact CG2-CG2 4.16Å; T301-I306 WeakPolarHBondContact CG2-O 3.32Å; T301-I306 PolarHBondContact N-O 2.62Å; T301-I306 PolarHBondContact OG1-O 2.94Å; T301-A308 HydrophobicContact CG2-CB 4.11Å
302	N	94	Very high	93.6	Very high	40 Å²	40	29.1 Å²	29.1	21%	0.214	14%	0.139	C	C	.	.	S	Bend	trans	-70.6	-6.5	170.8	69.5	-74.1	0	0	0	113.7	G283 L285 L324 I328	G283-N302 PolarHBondContact O-ND2 3.21Å; L285-N302 HydrophobicContact CD1-CB 4.1Å; L285-N302 HydrophobicContact CG-CB 4.46Å; L285-N302 PolarHBondContact N-OD1 2.87Å; N302-L324 HydrophobicContact CB-CD2 4.02Å; N302-I328 HydrophobicContact CB-CD1 4.16Å
303	V	96.1	Very high	93.6	Very high	20 Å²	20	28.6 Å²	28.6	12%	0.121	14%	0.137	C	C	.	.	S	Bend	trans	-108.3	128.4	178.1	179.7	0	0	0	0	108.7	A282 L284 T301 N305 I306	A282-V303 VanDerWaalsContact O-CG2 3.22Å; A282-V303 WeakPolarHBondContact O-CG2 3.29Å; L284-V303 HydrophobicContact CD2-CB 4.16Å; L284-V303 HydrophobicContact CD2-CG2 3.88Å; L284-V303 HydrophobicContact CG-CG2 4.33Å; T301-V303 PolarHBondContact O-N 3.42Å; T301-V303 PolarHBondContact OG1-N 3.18Å; T301-V303 VanDerWaalsContact OG1-N 3.13Å; T301-V303 PolarHBondContact OG1-O 3.17Å; V303-N305 VanDerWaalsContact C-N 3.33Å; V303-N305 WeakPolarHBondContact CG1-OD1 3.25Å; V303-N305 PolarHBondContact O-N 3.31Å; V303-I306 HydrophobicContact CB-CB 4.19Å; V303-I306 HydrophobicContact CB-CD1 4.05Å; V303-I306 HydrophobicContact CB-CG1 4.16Å; V303-I306 HydrophobicContact CG1-CB 4.34Å; V303-I306 HydrophobicContact CG1-CD1 3.7Å; V303-I306 HydrophobicContact CG1-CG1 3.8Å; V303-I306 PolarHBondContact O-N 2.84Å; V303-I306 VanDerWaalsContact O-N 3.1Å
304	E	94	Very high	93.3	Very high	151 Å²	151	29 Å²	29	71%	0.706	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-36.7	-162.9	171.2	158.1	-140.3	0	0	115	K300	K300-E304 VanDerWaalsContact CE-CA 3.47Å; K300-E304 WeakPolarHBondContact CE-O 3.24Å; K300-E304 PolarHBondContact NZ-O 2.88Å; K300-E304 IonicContact NZ-OE1 2.66Å
305	N	95.1	Very high	92.5	Very high	17 Å²	17	29.9 Å²	29.9	9%	0.091	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	2.6	-176.9	70.6	-62.4	0	0	0	113.2	S129 H130 E146 N147 I148 V303	S129-N305 PolarHBondContact O-ND2 3.28Å; H130-N305 PolarHBondContact CE1-ND2 3.44Å; H130-N305 PolarHBondContact ND1-ND2 3Å; H130-N305 VanDerWaalsContact ND1-ND2 3.19Å; E146-N305 WeakPolarHBondContact O-CB 3.35Å; E146-N305 PolarHBondContact O-ND2 2.92Å; N147-N305 WeakPolarHBondContact CA-O 3.22Å; I148-N305 PolarHBondContact N-O 3.45Å; V303-N305 VanDerWaalsContact C-N 3.33Å; V303-N305 WeakPolarHBondContact CG1-OD1 3.25Å; V303-N305 PolarHBondContact O-N 3.31Å
306	I	97.2	Very high	91	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.2	-176.9	-52	179.7	0	0	0	110.7	F126 I148 I150 A282 L284 T301 V303	F126-I306 HydrophobicContact CE1-CD1 3.86Å; F126-I306 HydrophobicContact CZ-CD1 4.46Å; I148-I306 HydrophobicContact CB-CG1 4.28Å; I148-I306 HydrophobicContact CB-CG2 4.49Å; I148-I306 CarbonylContact O-C 3.57Å; I148-I306 WeakPolarHBondContact O-CA 3.05Å; I150-I306 HydrophobicContact CD1-CG2 3.78Å; I150-I306 HydrophobicContact CG1-CG2 4.06Å; A282-I306 HydrophobicContact CB-CD1 3.87Å; L284-I306 HydrophobicContact CD1-CD1 4.22Å; L284-I306 HydrophobicContact CD1-CG2 4.27Å; L284-I306 HydrophobicContact CD2-CB 4.13Å; L284-I306 HydrophobicContact CD2-CD1 4.09Å; L284-I306 HydrophobicContact CD2-CG2 3.85Å; L284-I306 HydrophobicContact CG-CD1 4.23Å; T301-I306 WeakPolarHBondContact CB-O 3.49Å; T301-I306 HydrophobicContact CG2-CG2 4.16Å; T301-I306 WeakPolarHBondContact CG2-O 3.32Å; T301-I306 PolarHBondContact N-O 2.62Å; T301-I306 PolarHBondContact OG1-O 2.94Å; V303-I306 HydrophobicContact CB-CB 4.19Å; V303-I306 HydrophobicContact CB-CD1 4.05Å; V303-I306 HydrophobicContact CB-CG1 4.16Å; V303-I306 HydrophobicContact CG1-CB 4.34Å; V303-I306 HydrophobicContact CG1-CD1 3.7Å; V303-I306 HydrophobicContact CG1-CG1 3.8Å; V303-I306 PolarHBondContact O-N 2.84Å; V303-I306 VanDerWaalsContact O-N 3.1Å
307	Y	96.3	Very high	88.8	Confident	29 Å²	29	34.9 Å²	34.9	11%	0.114	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	158.4	178.2	-55.4	-94.5	0	0	0	109.4	I148 V149 I150 D299 K300 L371 L375	I148-Y307 PolarHBondContact O-N 2.96Å; V149-Y307 CarbonylContact C-O 3.59Å; V149-Y307 WeakPolarHBondContact CA-O 3.5Å; I150-Y307 PolarHBondContact N-O 3.3Å; D299-Y307 CarbonylContact O-C 3.59Å; D299-Y307 VanDerWaalsContact O-CA 3.27Å; D299-Y307 WeakPolarHBondContact O-CA 3.37Å; D299-Y307 WeakPolarHBondContact O-CB 3.5Å; K300-Y307 HydrophobicContact CB-CD1 3.94Å; K300-Y307 HydrophobicContact CB-CE1 3.89Å; K300-Y307 HydrophobicContact CD-CE1 4.36Å; K300-Y307 HydrophobicContact CG-CD1 4.22Å; K300-Y307 HydrophobicContact CG-CE1 3.89Å; Y307-L371 HydrophobicContact CD1-CD1 3.62Å; Y307-L371 HydrophobicContact CE1-CD1 4.1Å; Y307-L371 HydrophobicContact CG-CD1 3.99Å; Y307-L371 HydrophobicContact CG-CD2 4.19Å; Y307-L375 HydrophobicContact CD2-CD1 4.43Å; Y307-L375 HydrophobicContact CD2-CD2 4.46Å; Y307-L375 HydrophobicContact CE1-CD2 4.2Å; Y307-L375 HydrophobicContact CE2-CD1 4.39Å; Y307-L375 HydrophobicContact CE2-CD2 3.69Å; Y307-L375 WeakPolarHBondContact OH-CD2 3.17Å
308	A	95.4	Very high	86.4	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142.4	173.5	0	0	0	0	0	109.4	I150 L293 V295 D299 T301 I312 Q313	I150-A308 HydrophobicContact CB-CB 4.32Å; I150-A308 CarbonylContact O-C 3.24Å; I150-A308 VanDerWaalsContact O-CA 3.31Å; I150-A308 WeakPolarHBondContact O-CA 3.32Å; L293-A308 HydrophobicContact CB-CB 4.16Å; L293-A308 HydrophobicContact CD1-CB 3.56Å; V295-A308 HydrophobicContact CG1-CB 3.85Å; D299-A308 PolarHBondContact O-N 3.15Å; T301-A308 HydrophobicContact CG2-CB 4.11Å; A308-I312 HydrophobicContact CB-CD1 4.07Å; A308-I312 HydrophobicContact CB-CG1 4.28Å; A308-Q313 WeakPolarHBondContact O-CG 3.44Å; A308-Q313 PolarHBondContact O-NE2 3.4Å
309	I	94	Very high	83.3	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.01	17%	0.168	C	C	.	.			trans	-137.2	156.2	-179.2	59.7	174.6	0	0	0	112	G22 C26 V149 I150 A151 D299 S367 L371	G22-I309 WeakPolarHBondContact O-CD1 3.02Å; C26-I309 HydrophobicContact CB-CD1 3.86Å; V149-I309 HydrophobicContact CG1-CD1 3.78Å; V149-I309 HydrophobicContact CG1-CG1 3.78Å; V149-I309 HydrophobicContact CG1-CG2 4.46Å; I150-I309 PolarHBondContact O-N 2.75Å; A151-I309 HydrophobicContact CB-CD1 4.15Å; A151-I309 HydrophobicContact CB-CG1 3.77Å; D299-I309 HydrophobicContact CB-CG2 4.11Å; I309-S367 WeakPolarHBondContact CG2-OG 3.35Å; I309-L371 HydrophobicContact CG2-CD2 3.62Å
310	G	92.1	Very high	80.3	Confident	6 Å²	6	41.3 Å²	41.3	6%	0.062	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	73.9	-149.7	177.7	0	0	0	0	0	113.3	I312 Q313	G310-I312 PolarHBondContact O-N 3.47Å; G310-Q313 PolarHBondContact O-N 3.5Å
311	D	92.1	Very high	77.2	Confident	31 Å²	31	42.5 Å²	42.5	17%	0.166	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-58.8	-19.4	-164.5	-58.4	-3.8	0	0	0	115.5	I154 K292 Q313 E359	I154-D311 HydrophobicContact CB-CB 4.42Å; I154-D311 HydrophobicContact CD1-CB 3.97Å; I154-D311 HydrophobicContact CG1-CB 3.88Å; I154-D311 HydrophobicContact CG2-CB 3.87Å; K292-D311 WeakPolarHBondContact CD-O 3.24Å; K292-D311 WeakPolarHBondContact CE-O 3.46Å; K292-D311 PolarHBondContact NZ-O 2.67Å; D311-Q313 VanDerWaalsContact C-N 3.33Å; D311-E359 HydrophobicContact CB-CB 4.17Å; D311-E359 HydrophobicContact CB-CG 3.88Å; D311-E359 WeakPolarHBondContact OD1-CA 3.3Å; D311-E359 WeakPolarHBondContact OD1-CB 3.22Å
312	I	92.5	Very high	74.1	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-83.9	-4.5	-178.6	66.4	176.3	0	0	0	113.9	I150 G153 I154 P272 K292 L293 A308 G310	I150-I312 HydrophobicContact CB-CD1 3.76Å; I150-I312 HydrophobicContact CG2-CD1 3.33Å; I150-I312 VanDerWaalsContact O-CD1 3.25Å; I150-I312 WeakPolarHBondContact O-CD1 3.33Å; G153-I312 WeakPolarHBondContact O-CG2 3.31Å; I154-I312 HydrophobicContact CG2-CG2 4.48Å; P272-I312 HydrophobicContact CB-CG2 4.25Å; K292-I312 CarbonylContact C-O 3.59Å; K292-I312 VanDerWaalsContact CB-O 3.27Å; K292-I312 WeakPolarHBondContact CB-O 3.34Å; L293-I312 HydrophobicContact CD1-CD1 3.86Å; L293-I312 PolarHBondContact N-O 3.44Å; A308-I312 HydrophobicContact CB-CD1 4.07Å; A308-I312 HydrophobicContact CB-CG1 4.28Å; G310-I312 PolarHBondContact O-N 3.47Å
313	Q	91.9	Very high	71.5	Confident	2 Å²	2	50 Å²	50	1%	0.009	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	133.6	-178.9	-69.3	-176.3	-36.3	0	0	112.4	K292 V295 D299 A308 G310 D311 R357 Y385	K292-Q313 WeakPolarHBondContact CD-O 3.4Å; V295-Q313 HydrophobicContact CG1-CG 4.35Å; V295-Q313 HydrophobicContact CG2-CB 3.89Å; V295-Q313 HydrophobicContact CG2-CG 3.86Å; D299-Q313 PolarHBondContact OD1-NE2 3.46Å; A308-Q313 WeakPolarHBondContact O-CG 3.44Å; A308-Q313 PolarHBondContact O-NE2 3.4Å; G310-Q313 PolarHBondContact O-N 3.5Å; D311-Q313 VanDerWaalsContact C-N 3.33Å; Q313-R357 HydrophobicContact CB-CB 4.16Å; Q313-R357 HydrophobicContact CB-CG 4.38Å; Q313-R357 VanDerWaalsContact NE2-NH1 3.13Å; Q313-R357 PolarHBondContact O-N 3.24Å; Q313-Y385 PolarHBondContact OE1-OH 3.35Å
314	H	88.3	Confident	68.8	Low	8 Å²	8	50.5 Å²	50.5	4%	0.037	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.4	162.9	-158	94.8	0	0	0	108.5	H287 S290 K292 L293 I294 V295 S354	H287-H314 HydrophobicContact CB-CB 4.07Å; H287-H314 AromaticContact CD2-CD2 3.8Å; H287-H314 AromaticContact CD2-CE1 3.98Å; H287-H314 AromaticContact CD2-NE2 3.48Å; H287-H314 PolarHBondContact CD2-NE2 3.17Å; H287-H314 AromaticContact CE1-CE1 3.67Å; H287-H314 AromaticContact CE1-NE2 3.78Å; H287-H314 AromaticContact CG-CD2 3.72Å; H287-H314 AromaticContact CG-CE1 3.62Å; H287-H314 AromaticContact CG-CG 3.88Å; H287-H314 AromaticContact CG-ND1 3.85Å; H287-H314 AromaticContact CG-NE2 3.53Å; H287-H314 AromaticContact ND1-CE1 3.42Å; H287-H314 PolarHBondContact ND1-CE1 3.37Å; H287-H314 AromaticContact ND1-ND1 3.81Å; H287-H314 AromaticContact ND1-NE2 3.72Å; H287-H314 AromaticContact NE2-NE2 3.66Å; S290-H314 PolarHBondContact OG-CE1 2.87Å; S290-H314 PolarHBondContact OG-ND1 3.2Å; K292-H314 HydrophobicContact CB-CB 3.77Å; L293-H314 PolarHBondContact O-N 3.01Å; I294-H314 WeakPolarHBondContact CA-O 3.49Å; V295-H314 PolarHBondContact N-O 2.94Å; H314-S354 VanDerWaalsContact NE2-CB 3.31Å; H314-S354 WeakPolarHBondContact NE2-CB 3.39Å; H314-S354 PolarHBondContact NE2-OG 3.36Å
315	F	73.8	Confident	66.2	Low	34 Å²	34	47.7 Å²	47.7	15%	0.149	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	129.9	-176.3	-178.8	-117.5	0	0	0	111.1	D297 L317 F355 R357	D297-F315 HydrophobicContact CB-CE2 4.45Å; D297-F315 WeakPolarHBondContact OD1-CE2 3.49Å; D297-F315 WeakPolarHBondContact OD1-CZ 3.27Å; F315-L317 HydrophobicContact CD1-CG 4.3Å; F315-L317 HydrophobicContact CE1-CB 4.48Å; F315-L317 HydrophobicContact CE1-CD2 3.44Å; F315-L317 VanDerWaalsContact CE1-CD2 3.44Å; F315-L317 HydrophobicContact CE1-CG 3.53Å; F315-L317 HydrophobicContact CZ-CD2 3.76Å; F315-L317 HydrophobicContact CZ-CG 4.17Å; F315-F355 PolarHBondContact N-O 3.21Å; F315-R357 HydrophobicContact CB-CG 3.74Å; F315-R357 VanDerWaalsContact CD2-NH2 3.31Å
316	Y	60.4	Low	63.3	Low	39 Å²	39	53.3 Å²	53.3	15%	0.153	29%	0.29	C	S	.	.			trans	-102.4	130.2	165.6	-112.7	-94.8	0	0	0	107.7	I294 P318 F333 V352	I294-Y316 HydrophobicContact CG2-CD2 4.06Å; Y316-P318 WeakPolarHBondContact O-CD 3.42Å; Y316-F333 WeakPolarHBondContact OH-CE1 3.39Å; Y316-V352 HydrophobicContact CD1-CG1 3.9Å; Y316-V352 HydrophobicContact CE1-CB 4.42Å; Y316-V352 HydrophobicContact CE1-CG1 3.69Å
317	L	44.8	Very low	60.3	Low	106 Å²	106	55.1 Å²	55.1	56%	0.555	30%	0.302	S	S	*	.			trans	-81.1	107.9	160.5	-77.4	164.2	0	0	0	107.1	F315	F315-L317 HydrophobicContact CD1-CG 4.3Å; F315-L317 HydrophobicContact CE1-CB 4.48Å; F315-L317 HydrophobicContact CE1-CD2 3.44Å; F315-L317 VanDerWaalsContact CE1-CD2 3.44Å; F315-L317 HydrophobicContact CE1-CG 3.53Å; F315-L317 HydrophobicContact CZ-CD2 3.76Å; F315-L317 HydrophobicContact CZ-CG 4.17Å
318	P	38.7	Very low	57.6	Low	45 Å²	45	56 Å²	56	29%	0.292	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-72.9	137.1	163.3	1.4	18.5	0	0	0	107.5	Y316 V322	Y316-P318 WeakPolarHBondContact O-CD 3.42Å; P318-V322 WeakPolarHBondContact CB-O 3.5Å
319	Y	29.8	Very low	54.8	Low	147 Å²	147	62.8 Å²	62.8	58%	0.576	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-57.8	146	165.8	-112.3	-102.1	0	0	0	109.2	G321 V322 I350	Y319-G321 PolarHBondContact O-N 2.99Å; Y319-G321 VanDerWaalsContact O-N 3.08Å; Y319-V322 PolarHBondContact O-N 3.4Å; Y319-I350 HydrophobicContact CE2-CD1 4.24Å; Y319-I350 HydrophobicContact CE2-CG2 3.9Å
320	P	30.5	Very low	51.8	Low	130 Å²	130	65.6 Å²	65.6	84%	0.844	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	121.1	172.2	-23.3	31.8	0	0	0	110.1
321	G	29.8	Very low	48.8	Very low	80 Å²	80	74 Å²	74	83%	0.825	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.5	-5.6	-178.5	0	0	0	0	0	116.3	Y319	Y319-G321 PolarHBondContact O-N 2.99Å; Y319-G321 VanDerWaalsContact O-N 3.08Å
322	V	30	Very low	45.7	Very low	59 Å²	59	81.7 Å²	81.7	36%	0.358	44%	0.437	S	S	.	.			trans	-105.2	106.2	175.8	-170.9	0	0	0	0	110.1	P318 Y319 H326 C327	P318-V322 WeakPolarHBondContact CB-O 3.5Å; Y319-V322 PolarHBondContact O-N 3.4Å; V322-H326 HydrophobicContact CG1-CB 3.91Å; V322-C327 WeakPolarHBondContact CG1-SG 3.23Å
323	H	38.3	Very low	42.7	Very low	144 Å²	144	86.9 Å²	86.9	67%	0.667	46%	0.46	S	S	*	.			trans	-64.2	145.3	171.1	-79.4	-81.5	0	0	0	110.7	N325 H326 C327	H323-N325 PolarHBondContact O-N 2.9Å; H323-H326 WeakPolarHBondContact O-CA 3.23Å; H323-H326 WeakPolarHBondContact O-CB 3.35Å; H323-H326 PolarHBondContact O-N 3.35Å; H323-C327 PolarHBondContact O-N 2.85Å
324	L	40.6	Very low	39.5	Very low	31 Å²	31	94.8 Å²	94.8	16%	0.162	50%	0.497	C	S	.	.	H	α-helix	trans	-46.8	-40.7	177.5	-145.1	88	0	0	0	112	N302 H326 C327 I328	N302-L324 HydrophobicContact CB-CD2 4.02Å; L324-H326 VanDerWaalsContact C-N 3.31Å; L324-H326 PolarHBondContact O-N 3.32Å; L324-C327 WeakPolarHBondContact O-CB 3.49Å; L324-C327 PolarHBondContact O-N 2.93Å; L324-I328 HydrophobicContact CD2-CD1 4.26Å; L324-I328 HydrophobicContact CG-CD1 4.29Å; L324-I328 VanDerWaalsContact O-CD1 3.28Å; L324-I328 WeakPolarHBondContact O-CD1 3.35Å; L324-I328 VanDerWaalsContact O-CG1 3.31Å; L324-I328 WeakPolarHBondContact O-CG1 3.23Å; L324-I328 PolarHBondContact O-N 2.82Å
325	N	38.1	Very low	36.5	Very low	91 Å²	91	98.6 Å²	98.6	49%	0.487	53%	0.53	S	S	.	.	H	α-helix	trans	-62.4	-30	177.6	-71.4	-13.5	0	0	0	114.2	H323 I328 N329	H323-N325 PolarHBondContact O-N 2.9Å; N325-I328 PolarHBondContact O-N 2.77Å; N325-N329 WeakPolarHBondContact O-CB 3.01Å; N325-N329 PolarHBondContact O-N 2.97Å
326	H	34.2	Very low	34.1	Very low	136 Å²	136	100.5 Å²	100.5	63%	0.63	55%	0.547	S	S	*	.	H	α-helix	trans	-74.2	-34	175.7	-86.6	78.9	0	0	0	112.3	V322 H323 L324 I328 G330	V322-H326 HydrophobicContact CG1-CB 3.91Å; H323-H326 WeakPolarHBondContact O-CA 3.23Å; H323-H326 WeakPolarHBondContact O-CB 3.35Å; H323-H326 PolarHBondContact O-N 3.35Å; L324-H326 VanDerWaalsContact C-N 3.31Å; L324-H326 PolarHBondContact O-N 3.32Å; H326-I328 PolarHBondContact O-N 2.78Å; H326-G330 PolarHBondContact O-N 2.91Å
327	C	34.3	Very low	32.6	Very low	38 Å²	38	104.9 Å²	104.9	26%	0.257	58%	0.58	S	S	.	*	H	α-helix	trans	-66	-29	172.4	-69.1	0	0	0	0	112.2	V322 H323 L324	V322-C327 WeakPolarHBondContact CG1-SG 3.23Å; H323-C327 PolarHBondContact O-N 2.85Å; L324-C327 WeakPolarHBondContact O-CB 3.49Å; L324-C327 PolarHBondContact O-N 2.93Å
328	I	39.9	Very low	31.7	Very low	48 Å²	48	104 Å²	104	25%	0.246	58%	0.579	C	S	.	*	H	α-helix	trans	-88.4	-38.2	-174	-64.5	158.7	0	0	0	112.1	L285 N302 L324 N325 H326	L285-I328 HydrophobicContact CD1-CB 4.37Å; L285-I328 HydrophobicContact CD1-CD1 3.38Å; L285-I328 HydrophobicContact CD1-CG1 3.78Å; L285-I328 HydrophobicContact CD1-CG2 3.66Å; N302-I328 HydrophobicContact CB-CD1 4.16Å; L324-I328 HydrophobicContact CD2-CD1 4.26Å; L324-I328 HydrophobicContact CG-CD1 4.29Å; L324-I328 VanDerWaalsContact O-CD1 3.28Å; L324-I328 WeakPolarHBondContact O-CD1 3.35Å; L324-I328 VanDerWaalsContact O-CG1 3.31Å; L324-I328 WeakPolarHBondContact O-CG1 3.23Å; L324-I328 PolarHBondContact O-N 2.82Å; N325-I328 PolarHBondContact O-N 2.77Å; H326-I328 PolarHBondContact O-N 2.78Å
329	N	37.2	Very low	31.4	Very low	142 Å²	142	106.9 Å²	106.9	76%	0.759	60%	0.596	S	S	*	*	H	α-helix	trans	-95.4	-17	-171.9	-72.8	-22	0	0	0	115.3	N325	N325-N329 WeakPolarHBondContact O-CB 3.01Å; N325-N329 PolarHBondContact O-N 2.97Å
330	G	30.7	Very low	31.4	Very low	61 Å²	61	106.6 Å²	106.6	63%	0.629	60%	0.6	S	S	*	*	S	Bend	trans	-102.1	-21.4	-175.8	0	0	0	0	0	115.4	H326	H326-G330 PolarHBondContact O-N 2.91Å
331	Y	29.5	Very low	31.3	Very low	181 Å²	181	106.9 Å²	106.9	71%	0.71	59%	0.594	S	S	*	*	S	Bend	trans	-118.2	106.5	178.9	-67.2	-87.4	0	0	0	107.4	F333	Y331-F333 PolarHBondContact O-N 3.14Å
332	K	25.6	Very low	31.1	Very low	193 Å²	193	109.3 Å²	109.3	84%	0.839	59%	0.587	S	S	*	*			trans	-45.9	116.4	155.4	-82.5	179.4	175.9	176.5	0	105.3	Q334	K332-Q334 PolarHBondContact O-N 3.49Å
333	F	30.6	Very low	31	Very low	109 Å²	109	110.4 Å²	110.4	48%	0.478	60%	0.603	S	S	.	*			trans	-62.7	70.1	161.8	-88.3	-91.9	0	0	0	106.8	Y316 Y331 A335	Y316-F333 WeakPolarHBondContact OH-CE1 3.39Å; Y331-F333 PolarHBondContact O-N 3.14Å; F333-A335 PolarHBondContact O-N 2.97Å
334	Q	24	Very low	30.6	Very low	168 Å²	168	108.7 Å²	108.7	79%	0.785	61%	0.607	S	S	*	*			trans	-65.1	102.1	155.4	-109.1	177.4	-31.3	0	0	103	K332 C336	K332-Q334 PolarHBondContact O-N 3.49Å; Q334-C336 PolarHBondContact O-N 3.35Å
335	A	26.5	Very low	30	Very low	88 Å²	88	112.7 Å²	112.7	73%	0.727	64%	0.638	S	S	*	*			trans	-51.9	89.7	158.9	0	0	0	0	0	106.4	F333 P337	F333-A335 PolarHBondContact O-N 2.97Å; A335-P337 WeakPolarHBondContact O-CD 3.3Å
336	C	23.2	Very low	29.5	Very low	75 Å²	75	112.5 Å²	112.5	51%	0.507	64%	0.643	S	S	.	*			trans	-71.3	111.9	173.9	-163.9	0	0	0	0	104.9	Q334 T338	Q334-C336 PolarHBondContact O-N 3.35Å; C336-T338 PolarHBondContact O-N 3.33Å; C336-T338 PolarHBondContact SG-OG1 3.12Å
337	P	27.5	Very low	29.3	Very low	131 Å²	131	112.5 Å²	112.5	85%	0.851	66%	0.656	S	S	*	*	S	Bend	trans	-69.8	6.5	-175.9	-13.8	30.8	0	0	0	112.7	A335	A335-P337 WeakPolarHBondContact O-CD 3.3Å
338	T	27	Very low	29.1	Very low	87 Å²	87	115.7 Å²	115.7	53%	0.534	68%	0.678	S	S	.	*			trans	-137.1	61.8	-167.4	53.3	0	0	0	0	111.2	C336 E340	C336-T338 PolarHBondContact O-N 3.33Å; C336-T338 PolarHBondContact SG-OG1 3.12Å; T338-E340 VanDerWaalsContact C-N 3.25Å
339	V	32.8	Very low	28.4	Very low	106 Å²	106	119.3 Å²	119.3	64%	0.642	70%	0.697	S	S	*	*			trans	-84.5	-3.4	165.7	-173.4	0	0	0	0	111.3
340	E	30.1	Very low	27.9	Very low	141 Å²	141	117.4 Å²	117.4	66%	0.659	69%	0.686	S	S	*	*	S	Bend	trans	-84.7	-3.3	-176.5	-71.4	-170.5	170.2	0	0	115.7	R195 T338	R195-E340 IonicContact NH1-OE2 3.95Å; R195-E340 PolarHBondContact NH1-OE2 3.1Å; T338-E340 VanDerWaalsContact C-N 3.25Å
341	N	26.4	Very low	27.6	Very low	135 Å²	135	119.2 Å²	119.2	72%	0.722	69%	0.685	S	S	*	*	S	Bend	trans	-131.1	10.6	-172.4	-94.3	-6.7	0	0	0	117.2	A343	N341-A343 VanDerWaalsContact C-N 3.35Å; N341-A343 PolarHBondContact O-N 3.48Å
342	L	26.9	Very low	27.6	Very low	131 Å²	131	114 Å²	114	69%	0.686	67%	0.672	S	S	*	*			trans	-95.8	67.8	173.7	-74.3	163.6	0	0	0	111	L349	L342-L349 HydrophobicContact CD1-CD2 3.99Å
343	A	27.4	Very low	27.9	Very low	82 Å²	82	110.8 Å²	110.8	68%	0.678	66%	0.658	S	S	*	*			trans	-77.7	132	146.4	0	0	0	0	0	107.4	N341	N341-A343 VanDerWaalsContact C-N 3.35Å; N341-A343 PolarHBondContact O-N 3.48Å
344	S	29.7	Very low	28.2	Very low	108 Å²	108	107.3 Å²	107.3	76%	0.755	65%	0.647	S	S	*	*	S	Bend	trans	65.6	109.5	167.7	70.6	0	0	0	0	118.1
345	S	29.2	Very low	29.4	Very low	116 Å²	116	106.2 Å²	106.2	81%	0.811	64%	0.64	S	S	*	*	S	Bend		155.3	-6.1	121.2	56.8	0	0	0	0	115.5
346	S	27.9	Very low	30.7	Very low	86 Å²	86	103.9 Å²	103.9	60%	0.601	62%	0.624	S	S	*	*			trans	-114.1	119.4	175	-84	0	0	0	0	113.2	S348	S346-S348 PolarHBondContact O-N 3.11Å; S346-S348 VanDerWaalsContact O-N 3.13Å
347	P	28.8	Very low	33.1	Very low	137 Å²	137	101.1 Å²	101.1	89%	0.89	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-5.4	-179.3	-17.5	30.2	0	0	0	115.6
348	S	29.5	Very low	35.6	Very low	105 Å²	105	98 Å²	98	73%	0.734	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	0.3	-170.3	46	0	0	0	0	115.2	S346	S346-S348 PolarHBondContact O-N 3.11Å; S346-S348 VanDerWaalsContact O-N 3.13Å
349	L	26	Very low	38.5	Very low	123 Å²	123	96 Å²	96	64%	0.644	56%	0.564	S	S	*	*			trans	-103.7	88.2	-179.9	-152.7	81.4	0	0	0	111.2	L342 V351	L342-L349 HydrophobicContact CD1-CD2 3.99Å; L349-V351 PolarHBondContact O-N 2.98Å
350	I	26.5	Very low	41.1	Very low	103 Å²	103	93.2 Å²	93.2	53%	0.528	55%	0.545	S	S	.	.			trans	-83.6	112.1	176.5	-57.5	175.2	0	0	0	108.7	Y319 V352	Y319-I350 HydrophobicContact CE2-CD1 4.24Å; Y319-I350 HydrophobicContact CE2-CG2 3.9Å; I350-V352 PolarHBondContact O-N 2.83Å
351	V	25.1	Very low	44.1	Very low	99 Å²	99	88.1 Å²	88.1	60%	0.6	52%	0.523	S	S	*	.			trans	-65.9	103.5	175.3	179.1	0	0	0	0	109.3	L349 K353	L349-V351 PolarHBondContact O-N 2.98Å; V351-K353 PolarHBondContact O-N 2.91Å; V351-K353 VanDerWaalsContact O-N 3.13Å
352	V	28.2	Very low	47.2	Very low	72 Å²	72	86.3 Å²	86.3	44%	0.436	52%	0.519	S	S	.	.			trans	-69.5	105	171.8	-174.3	0	0	0	0	108.4	Y316 I350 S354	Y316-V352 HydrophobicContact CD1-CG1 3.9Å; Y316-V352 HydrophobicContact CE1-CB 4.42Å; Y316-V352 HydrophobicContact CE1-CG1 3.69Å; I350-V352 PolarHBondContact O-N 2.83Å; V352-S354 PolarHBondContact O-N 2.85Å
353	K	33.6	Very low	50.4	Low	124 Å²	124	80.3 Å²	80.3	54%	0.539	49%	0.488	S	S	.	.			trans	-73	97.6	173	-75.6	-175.5	176.1	179.2	0	109.1	V351 F355	V351-K353 PolarHBondContact O-N 2.91Å; V351-K353 VanDerWaalsContact O-N 3.13Å; K353-F355 HydrophobicContact CB-CD2 4.32Å; K353-F355 HydrophobicContact CB-CE2 3.61Å; K353-F355 HydrophobicContact CB-CZ 4.12Å; K353-F355 HydrophobicContact CD-CE2 4.15Å; K353-F355 HydrophobicContact CD-CZ 4.09Å; K353-F355 HydrophobicContact CG-CE2 4.4Å; K353-F355 HydrophobicContact CG-CZ 4.49Å
354	S	35.9	Very low	53.5	Low	37 Å²	37	76.7 Å²	76.7	26%	0.259	46%	0.458	S	S	.	.			trans	-81.8	130.5	169.9	90.4	0	0	0	0	109.6	H314 V352	H314-S354 VanDerWaalsContact NE2-CB 3.31Å; H314-S354 WeakPolarHBondContact NE2-CB 3.39Å; H314-S354 PolarHBondContact NE2-OG 3.36Å; V352-S354 PolarHBondContact O-N 2.85Å
355	F	48.6	Very low	56.6	Low	144 Å²	144	74.4 Å²	74.4	63%	0.632	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.2	138	171.5	-64.3	-78.8	0	0	0	109.2	F315 K353	F315-F355 PolarHBondContact N-O 3.21Å; K353-F355 HydrophobicContact CB-CD2 4.32Å; K353-F355 HydrophobicContact CB-CE2 3.61Å; K353-F355 HydrophobicContact CB-CZ 4.12Å; K353-F355 HydrophobicContact CD-CE2 4.15Å; K353-F355 HydrophobicContact CD-CZ 4.09Å; K353-F355 HydrophobicContact CG-CE2 4.4Å; K353-F355 HydrophobicContact CG-CZ 4.49Å
356	G	54.8	Low	59.6	Low	39 Å²	39	73.6 Å²	73.6	40%	0.402	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	139.3	164.2	0	0	0	0	0	108.8
357	R	72.6	Confident	62.8	Low	18 Å²	18	69.5 Å²	69.5	7%	0.068	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-67.5	160.3	174.1	-76.6	-176.9	170.2	178.6	6.6	110.7	D296 D297 D299 Q313 F315 E359 Y385	D296-R357 PolarHBondContact O-NH2 2.95Å; D297-R357 IonicContact OD1-NH2 3.88Å; D299-R357 IonicContact OD1-CZ 3.49Å; D299-R357 IonicContact OD1-NH1 3.81Å; D299-R357 PolarHBondContact OD1-NH1 3.2Å; Q313-R357 HydrophobicContact CB-CB 4.16Å; Q313-R357 HydrophobicContact CB-CG 4.38Å; Q313-R357 VanDerWaalsContact NE2-NH1 3.13Å; Q313-R357 PolarHBondContact O-N 3.24Å; F315-R357 HydrophobicContact CB-CG 3.74Å; F315-R357 VanDerWaalsContact CD2-NH2 3.31Å; R357-E359 PolarHBondContact O-N 2.87Å; R357-Y385 HydrophobicContact CB-CE1 4.3Å; R357-Y385 HydrophobicContact CG-CD1 4.48Å; R357-Y385 HydrophobicContact CG-CE1 4.26Å; R357-Y385 VanDerWaalsContact NH1-CZ 3.33Å; R357-Y385 PolarHBondContact NH1-OH 3.3Å
358	L	80.4	Confident	65.8	Low	64 Å²	64	63 Å²	63	34%	0.335	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-63.5	117.8	-177.5	-63.4	173.3	0	0	0	110.9	L360 V363 V388	L358-L360 VanDerWaalsContact C-N 3.29Å; L358-L360 HydrophobicContact CB-CD1 4.08Å; L358-L360 HydrophobicContact CB-CG 4.31Å; L358-L360 HydrophobicContact CD1-CD1 4.37Å; L358-L360 PolarHBondContact O-N 2.64Å; L358-V363 HydrophobicContact CB-CG2 4.3Å; L358-V388 HydrophobicContact CD1-CB 3.47Å; L358-V388 VanDerWaalsContact CD1-CB 3.47Å; L358-V388 HydrophobicContact CD1-CG1 3.85Å; L358-V388 HydrophobicContact CD1-CG2 3.72Å
359	E	87.4	Confident	68.7	Low	47 Å²	47	61.7 Å²	61.7	22%	0.22	33%	0.326	C	S	.	.			trans	-83.6	71.4	177.6	-62.8	156.8	-158.2	0	0	109.4	I154 I211 K292 D311 R357	I154-E359 HydrophobicContact CD1-CG 4.08Å; I154-E359 WeakPolarHBondContact CD1-OE2 3.48Å; I211-E359 HydrophobicContact CD1-CB 3.29Å; I211-E359 HydrophobicContact CD1-CG 3.95Å; I211-E359 WeakPolarHBondContact CD1-OE2 3.42Å; K292-E359 WeakPolarHBondContact CE-OE1 3.37Å; K292-E359 IonicContact NZ-OE1 2.68Å; K292-E359 PolarHBondContact NZ-OE1 3.47Å; D311-E359 HydrophobicContact CB-CB 4.17Å; D311-E359 HydrophobicContact CB-CG 3.88Å; D311-E359 WeakPolarHBondContact OD1-CA 3.3Å; D311-E359 WeakPolarHBondContact OD1-CB 3.22Å; R357-E359 PolarHBondContact O-N 2.87Å
360	L	88.4	Confident	72	Confident	46 Å²	46	55.9 Å²	55.9	24%	0.241	30%	0.295	C	S	.	.			trans	-129.6	137.5	-177.5	-61.1	169.5	0	0	0	110.7	L358 V363 A364 V388 T390	L358-L360 VanDerWaalsContact C-N 3.29Å; L358-L360 HydrophobicContact CB-CD1 4.08Å; L358-L360 HydrophobicContact CB-CG 4.31Å; L358-L360 HydrophobicContact CD1-CD1 4.37Å; L358-L360 PolarHBondContact O-N 2.64Å; L360-V363 HydrophobicContact CB-CB 4.15Å; L360-V363 HydrophobicContact CB-CG2 3.91Å; L360-V363 HydrophobicContact CD1-CG2 4.15Å; L360-V363 WeakPolarHBondContact O-CB 3.31Å; L360-V363 PolarHBondContact O-N 3.37Å; L360-V363 VanDerWaalsContact O-N 3.11Å; L360-A364 PolarHBondContact O-N 2.75Å; L360-V388 HydrophobicContact CD1-CG1 3.72Å; L360-T390 HydrophobicContact CD1-CG2 3.58Å; L360-T390 HydrophobicContact CD2-CG2 4.25Å
361	T	91.9	Very high	75.2	Confident	34 Å²	34	51 Å²	51	21%	0.209	27%	0.27	C	S	.	.	H	α-helix	trans	-52.9	-49.6	179.4	-65.8	0	0	0	0	113.8	C43 V363 A364 I365	C43-T361 HydrophobicContact CB-CG2 4.22Å; C43-T361 VanDerWaalsContact CB-OG1 3.23Å; C43-T361 WeakPolarHBondContact CB-OG1 3.19Å; C43-T361 PolarHBondContact SG-OG1 3.34Å; T361-V363 VanDerWaalsContact C-N 3.28Å; T361-V363 PolarHBondContact O-N 3.3Å; T361-A364 PolarHBondContact O-N 3.31Å; T361-I365 HydrophobicContact CG2-CD1 3.68Å; T361-I365 HydrophobicContact CG2-CG1 4.37Å; T361-I365 WeakPolarHBondContact O-CG1 3.28Å; T361-I365 PolarHBondContact O-N 3.2Å
362	P	93.4	Very high	78.3	Confident	97 Å²	97	46.3 Å²	46.3	63%	0.63	24%	0.242	S	C	*	.	H	α-helix	trans	-64.3	-33	179.7	-22.6	35.6	0	0	0	113.1	R366	P362-R366 WeakPolarHBondContact O-CB 3.38Å; P362-R366 PolarHBondContact O-N 3.11Å
363	V	92.6	Very high	81.1	Confident	5 Å²	5	47 Å²	47	3%	0.03	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-48.7	175.2	172.7	0	0	0	0	110.1	L358 L360 T361 I365 R366 S367 M383 Y385 V388	L358-V363 HydrophobicContact CB-CG2 4.3Å; L360-V363 HydrophobicContact CB-CB 4.15Å; L360-V363 HydrophobicContact CB-CG2 3.91Å; L360-V363 HydrophobicContact CD1-CG2 4.15Å; L360-V363 WeakPolarHBondContact O-CB 3.31Å; L360-V363 PolarHBondContact O-N 3.37Å; L360-V363 VanDerWaalsContact O-N 3.11Å; T361-V363 VanDerWaalsContact C-N 3.28Å; T361-V363 PolarHBondContact O-N 3.3Å; V363-I365 PolarHBondContact O-N 2.9Å; V363-R366 PolarHBondContact O-N 2.86Å; V363-S367 VanDerWaalsContact O-CB 3.3Å; V363-S367 WeakPolarHBondContact O-CB 3.4Å; V363-S367 PolarHBondContact O-N 3.2Å; V363-M383 HydrophobicContact CB-CE 4.36Å; V363-M383 HydrophobicContact CG1-CE 4.11Å; V363-M383 HydrophobicContact CG2-CE 4.23Å; V363-Y385 HydrophobicContact CG1-CD1 3.92Å; V363-Y385 HydrophobicContact CG1-CE1 3.43Å; V363-Y385 VanDerWaalsContact CG1-CE1 3.43Å; V363-V388 HydrophobicContact CG2-CG1 3.64Å; V363-V388 HydrophobicContact CG2-CG2 4.23Å
364	A	93.6	Very high	84	Confident	6 Å²	6	42.2 Å²	42.2	5%	0.05	22%	0.216	C	C	.	.	H	α-helix	trans	-61.1	-43.3	177.4	0	0	0	0	0	112.1	G22 L360 T361 G368	G22-A364 VanDerWaalsContact CA-O 3.24Å; G22-A364 WeakPolarHBondContact CA-O 3.43Å; L360-A364 PolarHBondContact O-N 2.75Å; T361-A364 PolarHBondContact O-N 3.31Å; A364-G368 PolarHBondContact O-N 2.76Å
365	I	93.3	Very high	86.4	Confident	60 Å²	60	42.6 Å²	42.6	31%	0.308	21%	0.214	S	C	.	.	H	α-helix	trans	-62	-48.8	176.9	-70	168.8	0	0	0	110.8	A25 T361 V363 G368 K369	A25-I365 HydrophobicContact CB-CB 4.1Å; A25-I365 HydrophobicContact CB-CG1 4.23Å; A25-I365 HydrophobicContact CB-CG2 3.82Å; A25-I365 WeakPolarHBondContact CB-O 3.2Å; T361-I365 HydrophobicContact CG2-CD1 3.68Å; T361-I365 HydrophobicContact CG2-CG1 4.37Å; T361-I365 WeakPolarHBondContact O-CG1 3.28Å; T361-I365 PolarHBondContact O-N 3.2Å; V363-I365 PolarHBondContact O-N 2.9Å; I365-G368 PolarHBondContact O-N 2.84Å; I365-K369 WeakPolarHBondContact O-CG 3.49Å; I365-K369 PolarHBondContact O-N 2.95Å
366	R	93.9	Very high	88.2	Confident	100 Å²	100	38.4 Å²	38.4	38%	0.377	20%	0.196	S	C	.	.	H	α-helix	trans	-65.6	-45.7	-178.4	-176.8	64.4	178.6	-173.6	3.7	111.3	P362 V363 G368 K369 L370 E381 M383	P362-R366 WeakPolarHBondContact O-CB 3.38Å; P362-R366 PolarHBondContact O-N 3.11Å; V363-R366 PolarHBondContact O-N 2.86Å; R366-G368 PolarHBondContact O-N 3.39Å; R366-K369 PolarHBondContact O-N 3.03Å; R366-L370 HydrophobicContact CG-CD1 3.93Å; R366-L370 HydrophobicContact CG-CG 4.37Å; R366-L370 WeakPolarHBondContact O-CB 3.38Å; R366-L370 VanDerWaalsContact O-CG 3.29Å; R366-L370 WeakPolarHBondContact O-CG 3.43Å; R366-L370 PolarHBondContact O-N 3.05Å; R366-E381 IonicContact CZ-OE1 2.97Å; R366-E381 IonicContact NH2-OE1 3.71Å; R366-E381 PolarHBondContact NH2-OE1 3.36Å; R366-E381 IonicContact NH2-OE2 3.29Å; R366-M383 HydrophobicContact CB-CE 4.16Å; R366-M383 HydrophobicContact CB-SD 3.77Å; R366-M383 HydrophobicContact CG-CE 4.15Å; R366-M383 HydrophobicContact CG-SD 3.31Å; R366-M383 WeakPolarHBondContact CG-SD 3.36Å
367	S	93.3	Very high	89.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.2	-46.1	175.1	168.6	0	0	0	0	111.2	D299 I309 V363 K369 L370 L371	D299-S367 PolarHBondContact OD1-OG 2.88Å; D299-S367 PolarHBondContact OD2-OG 2.89Å; I309-S367 WeakPolarHBondContact CG2-OG 3.35Å; V363-S367 VanDerWaalsContact O-CB 3.3Å; V363-S367 WeakPolarHBondContact O-CB 3.4Å; V363-S367 PolarHBondContact O-N 3.2Å; S367-K369 PolarHBondContact O-N 2.66Å; S367-L370 PolarHBondContact O-N 3.27Å; S367-L371 WeakPolarHBondContact O-CB 3.33Å; S367-L371 PolarHBondContact O-N 2.93Å
368	G	92.7	Very high	90.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.5	-46.5	176.9	0	0	0	0	0	113.8	C26 A364 I365 R366 L371 A372	C26-G368 WeakPolarHBondContact CA-O 3.4Å; A364-G368 PolarHBondContact O-N 2.76Å; I365-G368 PolarHBondContact O-N 2.84Å; R366-G368 PolarHBondContact O-N 3.39Å; G368-L371 PolarHBondContact O-N 3.29Å; G368-A372 PolarHBondContact O-N 3.08Å; G368-A372 VanDerWaalsContact O-N 3.11Å
369	K	91.5	Very high	90.7	Very high	77 Å²	77	40.4 Å²	40.4	34%	0.335	23%	0.232	S	C	.	.	H	α-helix	trans	-63.2	-45.5	176.3	-71.1	-172.6	175.4	-169.2	0	112.5	A25 I365 R366 S367 A372 R373	A25-K369 HydrophobicContact CB-CG 4.13Å; I365-K369 WeakPolarHBondContact O-CG 3.49Å; I365-K369 PolarHBondContact O-N 2.95Å; R366-K369 PolarHBondContact O-N 3.03Å; S367-K369 PolarHBondContact O-N 2.66Å; K369-A372 PolarHBondContact O-N 2.78Å; K369-R373 VanDerWaalsContact O-CG 3.28Å; K369-R373 WeakPolarHBondContact O-CG 3.48Å; K369-R373 PolarHBondContact O-N 3.25Å
370	L	93.4	Very high	91.1	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-43.6	-180	-70.6	176.3	0	0	0	110.8	R366 S367 A372 R373 R374 E381 M383	R366-L370 HydrophobicContact CG-CD1 3.93Å; R366-L370 HydrophobicContact CG-CG 4.37Å; R366-L370 WeakPolarHBondContact O-CB 3.38Å; R366-L370 VanDerWaalsContact O-CG 3.29Å; R366-L370 WeakPolarHBondContact O-CG 3.43Å; R366-L370 PolarHBondContact O-N 3.05Å; S367-L370 PolarHBondContact O-N 3.27Å; L370-A372 PolarHBondContact O-N 2.91Å; L370-R373 PolarHBondContact O-N 2.82Å; L370-R374 WeakPolarHBondContact O-CG 3.44Å; L370-R374 PolarHBondContact O-N 3.17Å; L370-E381 HydrophobicContact CD2-CB 4.09Å; L370-E381 HydrophobicContact CD2-CG 3.93Å; L370-M383 HydrophobicContact CD1-CB 4.03Å; L370-M383 HydrophobicContact CD1-SD 4.25Å
371	L	93.9	Very high	91.4	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-57.8	-50.2	176.3	177	59.3	0	0	0	111.9	V149 D299 Y307 I309 S367 G368 R373 R374 L375	V149-L371 HydrophobicContact CG1-CD2 4.1Å; V149-L371 HydrophobicContact CG2-CD2 3.81Å; D299-L371 HydrophobicContact CB-CD2 4.42Å; Y307-L371 HydrophobicContact CD1-CD1 3.62Å; Y307-L371 HydrophobicContact CE1-CD1 4.1Å; Y307-L371 HydrophobicContact CG-CD1 3.99Å; Y307-L371 HydrophobicContact CG-CD2 4.19Å; I309-L371 HydrophobicContact CG2-CD2 3.62Å; S367-L371 WeakPolarHBondContact O-CB 3.33Å; S367-L371 PolarHBondContact O-N 2.93Å; G368-L371 PolarHBondContact O-N 3.29Å; L371-R373 VanDerWaalsContact C-N 3.32Å; L371-R373 PolarHBondContact O-N 2.99Å; L371-R374 WeakPolarHBondContact O-CB 3.41Å; L371-R374 PolarHBondContact O-N 3.28Å; L371-L375 HydrophobicContact CD1-CD1 4.01Å; L371-L375 HydrophobicContact CD1-CG 4.02Å; L371-L375 HydrophobicContact CG-CD1 4.01Å; L371-L375 HydrophobicContact CG-CG 4.42Å; L371-L375 WeakPolarHBondContact O-CG 3.07Å; L371-L375 PolarHBondContact O-N 3.44Å
372	A	89.9	Confident	91.5	Very high	1 Å²	1	50 Å²	50	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-58.3	-42.4	177.5	0	0	0	0	0	112.5	E29 G368 K369 L370 R374 L375 F376	E29-A372 HydrophobicContact CB-CB 3.58Å; E29-A372 HydrophobicContact CG-CB 3.79Å; G368-A372 PolarHBondContact O-N 3.08Å; G368-A372 VanDerWaalsContact O-N 3.11Å; K369-A372 PolarHBondContact O-N 2.78Å; L370-A372 PolarHBondContact O-N 2.91Å; A372-R374 VanDerWaalsContact C-N 3.3Å; A372-R374 PolarHBondContact O-N 3.39Å; A372-L375 PolarHBondContact O-N 3.29Å; A372-F376 PolarHBondContact O-N 2.89Å
373	R	88.9	Confident	91.4	Very high	85 Å²	85	46.6 Å²	46.6	32%	0.321	25%	0.248	S	C	.	.	H	α-helix	trans	-63.6	-32.7	175.1	-69.6	168.1	-173.8	-169.3	-4.5	113.3	E29 K369 L370 L371 G377 G378 S379	E29-R373 HydrophobicContact CG-CG 4.14Å; E29-R373 IonicContact OE1-CZ 3.92Å; E29-R373 IonicContact OE1-NE 2.72Å; E29-R373 PolarHBondContact OE1-NE 2.94Å; E29-R373 IonicContact OE1-NH2 3.75Å; E29-R373 PolarHBondContact OE1-NH2 3.41Å; E29-R373 IonicContact OE2-NH2 2.68Å; K369-R373 VanDerWaalsContact O-CG 3.28Å; K369-R373 WeakPolarHBondContact O-CG 3.48Å; K369-R373 PolarHBondContact O-N 3.25Å; L370-R373 PolarHBondContact O-N 2.82Å; L371-R373 VanDerWaalsContact C-N 3.32Å; L371-R373 PolarHBondContact O-N 2.99Å; R373-G377 CarbonylContact O-C 3.53Å; R373-G377 WeakPolarHBondContact O-CA 3.49Å; R373-G377 PolarHBondContact O-N 2.9Å; R373-G378 PolarHBondContact O-N 3.35Å; R373-S379 WeakPolarHBondContact O-CB 3.12Å; R373-S379 PolarHBondContact O-N 2.86Å
374	R	92.7	Very high	91.3	Very high	25 Å²	25	49.8 Å²	49.8	9%	0.094	27%	0.265	C	S	.	.	H	α-helix	trans	-72.2	-44.4	175.3	-66.7	-167.2	-58.7	-89.4	2.4	111.4	W298 D299 L370 L371 A372 S379 E381	W298-R374 PolarHBondContact O-NH2 3.44Å; D299-R374 IonicContact OD2-CZ 2.76Å; D299-R374 IonicContact OD2-NH1 3.03Å; D299-R374 IonicContact OD2-NH2 3.21Å; D299-R374 PolarHBondContact OD2-NH2 2.89Å; L370-R374 WeakPolarHBondContact O-CG 3.44Å; L370-R374 PolarHBondContact O-N 3.17Å; L371-R374 WeakPolarHBondContact O-CB 3.41Å; L371-R374 PolarHBondContact O-N 3.28Å; A372-R374 VanDerWaalsContact C-N 3.3Å; A372-R374 PolarHBondContact O-N 3.39Å; R374-S379 WeakPolarHBondContact CA-O 3.42Å; R374-S379 WeakPolarHBondContact CG-O 3.45Å; R374-E381 WeakPolarHBondContact CD-O 3.45Å; R374-E381 PolarHBondContact NH1-O 2.9Å
375	L	87.9	Confident	91	Very high	44 Å²	44	51.8 Å²	51.8	23%	0.23	27%	0.272	C	S	.	.	H	α-helix	trans	-65.6	-40.9	-179.9	-69.1	176	0	0	0	112.5	L14 Y307 L371 A372	L14-L375 HydrophobicContact CD1-CD1 4.02Å; Y307-L375 HydrophobicContact CD2-CD1 4.43Å; Y307-L375 HydrophobicContact CD2-CD2 4.46Å; Y307-L375 HydrophobicContact CE1-CD2 4.2Å; Y307-L375 HydrophobicContact CE2-CD1 4.39Å; Y307-L375 HydrophobicContact CE2-CD2 3.69Å; Y307-L375 WeakPolarHBondContact OH-CD2 3.17Å; L371-L375 HydrophobicContact CD1-CD1 4.01Å; L371-L375 HydrophobicContact CD1-CG 4.02Å; L371-L375 HydrophobicContact CG-CD1 4.01Å; L371-L375 HydrophobicContact CG-CG 4.42Å; L371-L375 WeakPolarHBondContact O-CG 3.07Å; L371-L375 PolarHBondContact O-N 3.44Å; A372-L375 PolarHBondContact O-N 3.29Å
376	F	85.6	Confident	90.5	Very high	57 Å²	57	52.9 Å²	52.9	25%	0.25	28%	0.278	C	S	.	.	H	α-helix	trans	-124.3	-16.5	-166.3	-60.8	-63	0	0	0	115.2	D13 L14 F114 A372	D13-F376 HydrophobicContact CB-CE1 4.3Å; L14-F376 HydrophobicContact CB-CE2 4.12Å; L14-F376 HydrophobicContact CB-CZ 3.92Å; L14-F376 HydrophobicContact CD1-CE2 4.16Å; L14-F376 HydrophobicContact CD1-CZ 4.21Å; L14-F376 HydrophobicContact CD2-CE2 4.03Å; L14-F376 HydrophobicContact CG-CE2 4.33Å; L14-F376 HydrophobicContact CG-CZ 4.48Å; F114-F376 HydrophobicContact CE1-CD1 4.27Å; F114-F376 HydrophobicContact CE2-CB 3.63Å; F114-F376 HydrophobicContact CE2-CD1 4.36Å; F114-F376 HydrophobicContact CE2-CD2 4.39Å; F114-F376 AromaticContact CE2-CG 3.87Å; F114-F376 HydrophobicContact CE2-CG 3.87Å; F114-F376 HydrophobicContact CZ-CB 3.56Å; F114-F376 AromaticContact CZ-CD1 3.59Å; F114-F376 HydrophobicContact CZ-CD1 3.59Å; F114-F376 HydrophobicContact CZ-CD2 4.36Å; F114-F376 HydrophobicContact CZ-CE1 4.41Å; F114-F376 AromaticContact CZ-CG 3.55Å; F114-F376 HydrophobicContact CZ-CG 3.55Å; A372-F376 PolarHBondContact O-N 2.89Å
377	G	82.6	Confident	90	Very high	61 Å²	61	51.4 Å²	51.4	63%	0.629	27%	0.273	S	S	*	.	S	Bend	trans	-109	1.9	-177.4	0	0	0	0	0	114.6	R373 S379	R373-G377 CarbonylContact O-C 3.53Å; R373-G377 WeakPolarHBondContact O-CA 3.49Å; R373-G377 PolarHBondContact O-N 2.9Å; G377-S379 PolarHBondContact O-N 3.29Å
378	G	86.7	Confident	89.8	Confident	66 Å²	66	52.9 Å²	52.9	68%	0.68	28%	0.281	S	S	*	.			trans	67.6	12.4	-177.2	0	0	0	0	0	114.8	R373	R373-G378 PolarHBondContact O-N 3.35Å
379	S	92	Very high	89.8	Confident	35 Å²	35	54.8 Å²	54.8	25%	0.245	29%	0.294	C	S	.	.			trans	-65.5	151.7	175.9	-177.3	0	0	0	0	111.2	R373 R374 G377 E381	R373-S379 WeakPolarHBondContact O-CB 3.12Å; R373-S379 PolarHBondContact O-N 2.86Å; R374-S379 WeakPolarHBondContact CA-O 3.42Å; R374-S379 WeakPolarHBondContact CG-O 3.45Å; G377-S379 PolarHBondContact O-N 3.29Å; S379-E381 PolarHBondContact OG-N 3.39Å; S379-E381 VanDerWaalsContact OG-N 3.12Å
380	K	94.9	Very high	89.6	Confident	177 Å²	177	52.2 Å²	52.2	77%	0.77	28%	0.284	S	S	*	.			trans	-115.5	5.8	170	-61.6	-177.2	-179.7	179.5	0	112.4	W298 L382	W298-K380 HydrophobicContact CH2-CB 4.44Å; K380-L382 PolarHBondContact O-N 3.08Å
381	E	94.6	Very high	89.4	Confident	89 Å²	89	53.7 Å²	53.7	42%	0.416	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-72.2	126.1	-176.5	-168.6	-171.8	165.2	0	0	110.9	R366 L370 R374 S379	R366-E381 IonicContact CZ-OE1 2.97Å; R366-E381 IonicContact NH2-OE1 3.71Å; R366-E381 PolarHBondContact NH2-OE1 3.36Å; R366-E381 IonicContact NH2-OE2 3.29Å; L370-E381 HydrophobicContact CD2-CB 4.09Å; L370-E381 HydrophobicContact CD2-CG 3.93Å; R374-E381 WeakPolarHBondContact CD-O 3.45Å; R374-E381 PolarHBondContact NH1-O 2.9Å; S379-E381 PolarHBondContact OG-N 3.39Å; S379-E381 VanDerWaalsContact OG-N 3.12Å
382	L	94	Very high	89.1	Confident	62 Å²	62	53.9 Å²	53.9	33%	0.325	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-98.3	157.6	177.6	-58.6	-178.8	0	0	0	110.9	D297 W298 K380 D384	D297-L382 HydrophobicContact CB-CD1 4.2Å; W298-L382 HydrophobicContact CD2-CD2 3.71Å; W298-L382 HydrophobicContact CE3-CD2 3.94Å; W298-L382 HydrophobicContact CG-CD2 4.08Å; W298-L382 HydrophobicContact CH2-CD2 4.44Å; W298-L382 HydrophobicContact CZ2-CD2 4.25Å; W298-L382 HydrophobicContact CZ3-CD2 4.31Å; K380-L382 PolarHBondContact O-N 3.08Å; L382-D384 PolarHBondContact O-N 3.18Å
383	M	92	Very high	89.1	Confident	27 Å²	27	55.4 Å²	55.4	13%	0.133	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-71.6	128	174	177.6	58.9	-173.7	0	0	109.6	V363 R366 L370 Y385	V363-M383 HydrophobicContact CB-CE 4.36Å; V363-M383 HydrophobicContact CG1-CE 4.11Å; V363-M383 HydrophobicContact CG2-CE 4.23Å; R366-M383 HydrophobicContact CB-CE 4.16Å; R366-M383 HydrophobicContact CB-SD 3.77Å; R366-M383 HydrophobicContact CG-CE 4.15Å; R366-M383 HydrophobicContact CG-SD 3.31Å; R366-M383 WeakPolarHBondContact CG-SD 3.36Å; L370-M383 HydrophobicContact CD1-CB 4.03Å; L370-M383 HydrophobicContact CD1-SD 4.25Å; M383-Y385 HydrophobicContact CB-CD2 4.2Å; M383-Y385 HydrophobicContact CB-CE2 3.53Å; M383-Y385 HydrophobicContact CG-CD1 4.26Å; M383-Y385 HydrophobicContact CG-CD2 3.86Å; M383-Y385 HydrophobicContact CG-CE1 3.85Å; M383-Y385 HydrophobicContact CG-CE2 3.4Å; M383-Y385 HydrophobicContact CG-CG 4.26Å; M383-Y385 WeakPolarHBondContact O-CD2 3.3Å
384	D	90	Very high	88.9	Confident	72 Å²	72	52.5 Å²	52.5	39%	0.385	29%	0.293	S	S	.	.			trans	-90.7	110.8	172.7	-161.8	-36.1	0	0	0	109.9	L382 D386 R475	L382-D384 PolarHBondContact O-N 3.18Å; D384-D386 WeakPolarHBondContact OD1-CB 3.46Å; D384-D386 PolarHBondContact OD1-N 3.47Å; D384-R475 IonicContact OD1-NH1 3.54Å; D384-R475 PolarHBondContact OD1-NH1 3.4Å; D384-R475 IonicContact OD2-CZ 2.73Å; D384-R475 IonicContact OD2-NH1 3.93Å; D384-R475 PolarHBondContact OD2-NH1 2.89Å; D384-R475 IonicContact OD2-NH2 2.84Å; D384-R475 PolarHBondContact OD2-NH2 2.99Å
385	Y	86.7	Confident	88.4	Confident	48 Å²	48	54.3 Å²	54.3	19%	0.188	31%	0.308	C	S	.	.			trans	-91.4	-3.1	179.4	-67.1	-87.6	0	0	0	112.8	D299 Q313 R357 V363 M383	D299-Y385 PolarHBondContact OD1-OH 3.39Å; Q313-Y385 PolarHBondContact OE1-OH 3.35Å; R357-Y385 HydrophobicContact CB-CE1 4.3Å; R357-Y385 HydrophobicContact CG-CD1 4.48Å; R357-Y385 HydrophobicContact CG-CE1 4.26Å; R357-Y385 VanDerWaalsContact NH1-CZ 3.33Å; R357-Y385 PolarHBondContact NH1-OH 3.3Å; V363-Y385 HydrophobicContact CG1-CD1 3.92Å; V363-Y385 HydrophobicContact CG1-CE1 3.43Å; V363-Y385 VanDerWaalsContact CG1-CE1 3.43Å; M383-Y385 HydrophobicContact CB-CD2 4.2Å; M383-Y385 HydrophobicContact CB-CE2 3.53Å; M383-Y385 HydrophobicContact CG-CD1 4.26Å; M383-Y385 HydrophobicContact CG-CD2 3.86Å; M383-Y385 HydrophobicContact CG-CE1 3.85Å; M383-Y385 HydrophobicContact CG-CE2 3.4Å; M383-Y385 HydrophobicContact CG-CG 4.26Å; M383-Y385 WeakPolarHBondContact O-CD2 3.3Å
386	D	83.1	Confident	88.3	Confident	83 Å²	83	53.5 Å²	53.5	44%	0.444	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	143.6	175.5	-168	29.5	0	0	0	110.9	D384 V388	D384-D386 WeakPolarHBondContact OD1-CB 3.46Å; D384-D386 PolarHBondContact OD1-N 3.47Å; D386-V388 VanDerWaalsContact C-N 3.26Å; D386-V388 PolarHBondContact O-N 3.46Å
387	R	83.5	Confident	88.5	Confident	69 Å²	69	51.5 Å²	51.5	26%	0.26	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	37.1	176.5	-54.1	168	-156.3	179.4	1.4	114	P389 V401 M474 N477	R387-P389 WeakPolarHBondContact O-CD 3.42Å; R387-V401 HydrophobicContact CB-CG2 4.07Å; R387-V401 WeakPolarHBondContact O-CG2 3.5Å; R387-M474 HydrophobicContact CG-CE 4.27Å; R387-M474 PolarHBondContact NH1-O 3.3Å; R387-N477 PolarHBondContact NH1-OD1 2.99Å
388	V	89.8	Confident	88.7	Confident	31 Å²	31	49.3 Å²	49.3	19%	0.188	27%	0.269	C	S	.	.			trans	-72.9	123	170.1	176.8	0	0	0	0	109.2	L358 L360 V363 D386	L358-V388 HydrophobicContact CD1-CB 3.47Å; L358-V388 VanDerWaalsContact CD1-CB 3.47Å; L358-V388 HydrophobicContact CD1-CG1 3.85Å; L358-V388 HydrophobicContact CD1-CG2 3.72Å; L360-V388 HydrophobicContact CD1-CG1 3.72Å; V363-V388 HydrophobicContact CG2-CG1 3.64Å; V363-V388 HydrophobicContact CG2-CG2 4.23Å; D386-V388 VanDerWaalsContact C-N 3.26Å; D386-V388 PolarHBondContact O-N 3.46Å
389	P	92.1	Very high	88.7	Confident	39 Å²	39	46.1 Å²	46.1	25%	0.253	24%	0.237	S	C	.	.			trans	-72.8	148.9	178	29.7	-34.6	0	0	0	111.9	R387 C400 V401 M467 A471	R387-P389 WeakPolarHBondContact O-CD 3.42Å; P389-C400 CarbonylContact C-O 3.06Å; P389-C400 WeakPolarHBondContact CA-O 3.42Å; P389-V401 HydrophobicContact CB-CB 4.07Å; P389-V401 HydrophobicContact CB-CG2 4.23Å; P389-M467 HydrophobicContact CB-CG 4.24Å; P389-A471 HydrophobicContact CB-CB 3.84Å; P389-A471 HydrophobicContact CG-CB 3.68Å
390	T	88.4	Confident	88.6	Confident	23 Å²	23	44.6 Å²	44.6	14%	0.141	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	142.4	176.4	55.9	0	0	0	0	111.2	L360 S399 C400	L360-T390 HydrophobicContact CD1-CG2 3.58Å; L360-T390 HydrophobicContact CD2-CG2 4.25Å; T390-S399 CarbonylContact O-C 3.55Å; T390-S399 VanDerWaalsContact O-CA 3.23Å; T390-S399 WeakPolarHBondContact O-CA 3.32Å; T390-S399 PolarHBondContact O-OG 3.27Å; T390-C400 PolarHBondContact N-O 3.43Å; T390-C400 PolarHBondContact O-N 3.23Å; T390-C400 PolarHBondContact OG1-SG 3.48Å
391	T	89	Confident	88.4	Confident	33 Å²	33	36.2 Å²	36.2	20%	0.202	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133	173.8	-56.7	0	0	0	0	110.5	F393 Y398 S399 A463 G464	T391-F393 HydrophobicContact CG2-CD1 4.09Å; T391-F393 HydrophobicContact CG2-CD2 4.36Å; T391-F393 HydrophobicContact CG2-CE1 3.75Å; T391-F393 HydrophobicContact CG2-CE2 4.06Å; T391-F393 HydrophobicContact CG2-CG 4.39Å; T391-F393 HydrophobicContact CG2-CZ 3.75Å; T391-Y398 CarbonylContact C-O 3.56Å; T391-Y398 VanDerWaalsContact CA-O 3.3Å; T391-Y398 WeakPolarHBondContact CA-O 3.07Å; T391-S399 WeakPolarHBondContact OG1-CB 3.38Å; T391-S399 PolarHBondContact OG1-OG 2.9Å; T391-A463 HydrophobicContact CG2-CB 4.38Å; T391-G464 VanDerWaalsContact OG1-CA 3.22Å; T391-G464 WeakPolarHBondContact OG1-CA 3.23Å
392	V	86.5	Confident	88.1	Confident	4 Å²	4	33.2 Å²	33.2	2%	0.024	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.1	171.2	-173.9	0	0	0	0	107.8	N214 E218 T394 Y398	N214-V392 HydrophobicContact CB-CG1 4.34Å; N214-V392 HydrophobicContact CB-CG2 4.37Å; N214-V392 WeakPolarHBondContact OD1-CG2 3.47Å; E218-V392 HydrophobicContact CG-CG1 3.8Å; E218-V392 WeakPolarHBondContact OE1-CA 3.34Å; V392-T394 VanDerWaalsContact C-N 3.31Å; V392-T394 HydrophobicContact CG1-CG2 4.2Å; V392-T394 PolarHBondContact O-N 3.26Å; V392-T394 VanDerWaalsContact O-N 3.1Å; V392-Y398 HydrophobicContact CB-CD1 4.44Å; V392-Y398 HydrophobicContact CG2-CD1 4.08Å; V392-Y398 PolarHBondContact N-O 3.04Å; V392-Y398 PolarHBondContact O-N 2.81Å
393	F	89.6	Confident	87.6	Confident	33 Å²	33	31.9 Å²	31.9	15%	0.145	18%	0.175	C	C	.	.			trans	-88.8	64.8	-173.2	-64.9	-82.3	0	0	0	111.7	K51 K52 H55 E218 T391 E397	K51-F393 HydrophobicContact CD-CB 4.09Å; K51-F393 HydrophobicContact CD-CD2 4.22Å; K51-F393 HydrophobicContact CD-CG 4.5Å; K52-F393 HydrophobicContact CD-CE1 4.36Å; K52-F393 HydrophobicContact CD-CZ 4.38Å; H55-F393 PolarHBondContact ND1-O 3.29Å; E218-F393 PolarHBondContact OE1-N 2.84Å; T391-F393 HydrophobicContact CG2-CD1 4.09Å; T391-F393 HydrophobicContact CG2-CD2 4.36Å; T391-F393 HydrophobicContact CG2-CE1 3.75Å; T391-F393 HydrophobicContact CG2-CE2 4.06Å; T391-F393 HydrophobicContact CG2-CG 4.39Å; T391-F393 HydrophobicContact CG2-CZ 3.75Å; F393-E397 HydrophobicContact CD1-CG 4.46Å
394	T	84.9	Confident	87.1	Confident	25 Å²	25	31.5 Å²	31.5	15%	0.153	18%	0.175	C	C	.	.	S	Bend	trans	-83.6	165.7	167.5	37.7	0	0	0	0	111.1	H55 L217 V392 V396 E397	H55-T394 PolarHBondContact CE1-O 2.61Å; H55-T394 VanDerWaalsContact CE1-O 3.26Å; L217-T394 HydrophobicContact CB-CG2 3.8Å; V392-T394 VanDerWaalsContact C-N 3.31Å; V392-T394 HydrophobicContact CG1-CG2 4.2Å; V392-T394 PolarHBondContact O-N 3.26Å; V392-T394 VanDerWaalsContact O-N 3.1Å; T394-V396 WeakPolarHBondContact CB-O 3.33Å; T394-V396 CarbonylContact O-C 3.51Å; T394-V396 PolarHBondContact O-N 3.1Å; T394-V396 PolarHBondContact OG1-O 3.24Å; T394-E397 WeakPolarHBondContact O-CG 3.05Å; T394-E397 PolarHBondContact O-N 2.85Å
395	P	83.4	Confident	86.8	Confident	63 Å²	63	29.2 Å²	29.2	41%	0.409	16%	0.162	S	C	.	.	S	Bend	trans	-53.7	-31	-179.6	-31.4	36.2	0	0	0	114.5	G221	G221-P395 VanDerWaalsContact CA-CD 3.4Å; G221-P395 WeakPolarHBondContact O-CG 3.39Å
396	V	86.1	Confident	86.4	Confident	27 Å²	27	30.9 Å²	30.9	16%	0.164	17%	0.171	C	C	.	.	S	Bend	trans	-109.8	113.9	156.5	-178.6	0	0	0	0	105.4	T394 K438	T394-V396 WeakPolarHBondContact CB-O 3.33Å; T394-V396 CarbonylContact O-C 3.51Å; T394-V396 PolarHBondContact O-N 3.1Å; T394-V396 PolarHBondContact OG1-O 3.24Å; V396-K438 HydrophobicContact CG2-CB 4.18Å; V396-K438 HydrophobicContact CG2-CD 4.13Å
397	E	88.1	Confident	86.2	Confident	14 Å²	14	29.2 Å²	29.2	7%	0.065	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	150.3	-171.8	-56.6	177.9	169.7	0	0	110.5	H55 F393 T394 C459 G460 N462 A463	H55-E397 IonicContact CD2-OE1 2.99Å; H55-E397 IonicContact CE1-OE1 3.93Å; H55-E397 IonicContact NE2-OE1 2.61Å; H55-E397 PolarHBondContact NE2-OE1 3.17Å; F393-E397 HydrophobicContact CD1-CG 4.46Å; T394-E397 WeakPolarHBondContact O-CG 3.05Å; T394-E397 PolarHBondContact O-N 2.85Å; E397-C459 CarbonylContact O-C 3.59Å; E397-C459 VanDerWaalsContact O-CA 3.32Å; E397-C459 WeakPolarHBondContact O-CA 3.22Å; E397-G460 WeakPolarHBondContact CB-O 3.5Å; E397-G460 PolarHBondContact N-O 2.72Å; E397-G460 PolarHBondContact O-N 3.33Å; E397-N462 WeakPolarHBondContact OE2-CA 3.39Å; E397-N462 PolarHBondContact OE2-N 2.93Å; E397-A463 HydrophobicContact CB-CB 3.53Å; E397-A463 PolarHBondContact OE2-N 2.82Å
398	Y	86.5	Confident	86.1	Confident	15 Å²	15	25.9 Å²	25.9	6%	0.059	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.1	172.8	166.1	-115.1	0	0	0	109.2	F204 T391 V392 C400 H457 Y458	F204-Y398 HydrophobicContact CD1-CD2 4.49Å; F204-Y398 AromaticContact CD1-CE2 3.88Å; F204-Y398 HydrophobicContact CD1-CE2 3.88Å; F204-Y398 HydrophobicContact CE1-CD2 4.02Å; F204-Y398 AromaticContact CE1-CE2 3.7Å; F204-Y398 HydrophobicContact CE1-CE2 3.7Å; T391-Y398 CarbonylContact C-O 3.56Å; T391-Y398 VanDerWaalsContact CA-O 3.3Å; T391-Y398 WeakPolarHBondContact CA-O 3.07Å; V392-Y398 HydrophobicContact CB-CD1 4.44Å; V392-Y398 HydrophobicContact CG2-CD1 4.08Å; V392-Y398 PolarHBondContact N-O 3.04Å; V392-Y398 PolarHBondContact O-N 2.81Å; Y398-C400 HydrophobicContact CE2-CB 4.25Å; Y398-C400 WeakPolarHBondContact OH-CB 3.45Å; Y398-H457 HydrophobicContact CE2-CB 4.18Å; Y398-H457 AromaticContact CE2-ND1 3.99Å; Y398-H457 AromaticContact CZ-ND1 3.83Å; Y398-H457 PolarHBondContact OH-ND1 3.1Å; Y398-Y458 CarbonylContact C-O 3.59Å; Y398-Y458 WeakPolarHBondContact CA-O 3.44Å; Y398-Y458 WeakPolarHBondContact CD2-O 3.41Å
399	S	88.1	Confident	85.9	Confident	0 Å²	0	27 Å²	27	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150	173.4	-164.1	0	0	0	0	111	T390 T391 Y458 A463 M467	T390-S399 CarbonylContact O-C 3.55Å; T390-S399 VanDerWaalsContact O-CA 3.23Å; T390-S399 WeakPolarHBondContact O-CA 3.32Å; T390-S399 PolarHBondContact O-OG 3.27Å; T391-S399 WeakPolarHBondContact OG1-CB 3.38Å; T391-S399 PolarHBondContact OG1-OG 2.9Å; S399-Y458 PolarHBondContact N-O 2.89Å; S399-Y458 PolarHBondContact O-N 2.74Å; S399-A463 VanDerWaalsContact CB-O 3.3Å; S399-A463 WeakPolarHBondContact CB-O 3.45Å; S399-M467 WeakPolarHBondContact O-CE 3.35Å; S399-M467 WeakPolarHBondContact OG-CB 3.45Å; S399-M467 VanDerWaalsContact OG-CG 3.23Å; S399-M467 WeakPolarHBondContact OG-CG 3.39Å
400	C	89.2	Confident	85.5	Confident	3 Å²	3	31.8 Å²	31.8	2%	0.02	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	158.4	175.5	63.8	0	0	0	0	112.6	P208 P389 T390 Y398 V456 H457	P208-C400 WeakPolarHBondContact CG-SG 3.16Å; P389-C400 CarbonylContact C-O 3.06Å; P389-C400 WeakPolarHBondContact CA-O 3.42Å; T390-C400 PolarHBondContact N-O 3.43Å; T390-C400 PolarHBondContact O-N 3.23Å; T390-C400 PolarHBondContact OG1-SG 3.48Å; Y398-C400 HydrophobicContact CE2-CB 4.25Å; Y398-C400 WeakPolarHBondContact OH-CB 3.45Å; C400-V456 CarbonylContact C-O 3.42Å; C400-V456 WeakPolarHBondContact CA-O 3.47Å; C400-V456 WeakPolarHBondContact CB-O 3.29Å; C400-H457 WeakPolarHBondContact CB-ND1 3.02Å
401	V	90.5	Very high	85.4	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	140.9	168.5	61.2	0	0	0	0	109.6	R387 P389 G455 V456 M467 A471 M474	R387-V401 HydrophobicContact CB-CG2 4.07Å; R387-V401 WeakPolarHBondContact O-CG2 3.5Å; P389-V401 HydrophobicContact CB-CB 4.07Å; P389-V401 HydrophobicContact CB-CG2 4.23Å; V401-G455 CarbonylContact O-C 3.56Å; V401-G455 VanDerWaalsContact O-CA 3.23Å; V401-G455 WeakPolarHBondContact O-CA 3.46Å; V401-V456 HydrophobicContact CG1-CB 4.19Å; V401-V456 PolarHBondContact N-O 3.23Å; V401-V456 PolarHBondContact O-N 3Å; V401-M467 HydrophobicContact CB-CG 4.26Å; V401-M467 HydrophobicContact CB-SD 3.94Å; V401-M467 HydrophobicContact CG1-CG 4.11Å; V401-M467 HydrophobicContact CG1-SD 3.28Å; V401-M467 WeakPolarHBondContact CG1-SD 3.48Å; V401-A471 HydrophobicContact CB-CB 4.37Å; V401-A471 HydrophobicContact CG1-CB 4.4Å; V401-A471 HydrophobicContact CG2-CB 3.96Å; V401-M474 HydrophobicContact CB-SD 4.37Å; V401-M474 HydrophobicContact CG1-CG 4.37Å; V401-M474 HydrophobicContact CG1-SD 3.52Å; V401-M474 VanDerWaalsContact CG1-SD 3.52Å; V401-M474 HydrophobicContact CG2-SD 4.28Å
402	G	88.2	Confident	85.6	Confident	25 Å²	25	38.8 Å²	38.8	26%	0.258	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	85.7	-155.3	-176.2	0	0	0	0	0	113.9	L454	G402-L454 WeakPolarHBondContact CA-O 3.42Å
403	L	84.4	Confident	85.9	Confident	35 Å²	35	40 Å²	40	18%	0.183	21%	0.214	C	C	.	.			trans	-83.5	138.4	-171.1	-59.8	179.4	0	0	0	112	V407 A408 K411 F412 I444 L454 H457	L403-V407 HydrophobicContact CD2-CG1 4.14Å; L403-A408 HydrophobicContact CB-CB 4.28Å; L403-A408 HydrophobicContact CD1-CB 4.41Å; L403-K411 HydrophobicContact CD1-CD 4.31Å; L403-F412 HydrophobicContact CD1-CE2 3.82Å; L403-I444 WeakPolarHBondContact O-CD1 3.42Å; L403-L454 PolarHBondContact N-O 3.01Å; L403-H457 PolarHBondContact O-NE2 3.01Å
404	P	80.9	Confident	86.1	Confident	19 Å²	19	45 Å²	45	12%	0.123	24%	0.237	C	C	.	.			trans	-67.6	155.5	162.3	30.4	-32.5	0	0	0	110.5	L207 E406 V407 A408	L207-P404 HydrophobicContact CD2-CG 4.03Å; P404-E406 VanDerWaalsContact C-N 3.33Å; P404-E406 PolarHBondContact O-N 3Å; P404-V407 HydrophobicContact CG-CB 3.8Å; P404-V407 HydrophobicContact CG-CG2 3.57Å; P404-V407 PolarHBondContact O-N 3.18Å; P404-V407 VanDerWaalsContact O-N 3.09Å; P404-A408 PolarHBondContact O-N 3.13Å
405	E	83.1	Confident	86.6	Confident	23 Å²	23	47.2 Å²	47.2	11%	0.107	25%	0.254	C	S	.	.	H	α-helix	trans	-56.5	-44.6	-173.1	-177.6	175.4	155	0	0	112.5	V407 A408 I409 V419 K442 I444 K504	E405-V407 VanDerWaalsContact C-N 3.3Å; E405-V407 PolarHBondContact O-N 3.13Å; E405-A408 PolarHBondContact O-N 2.8Å; E405-I409 HydrophobicContact CG-CD1 3.99Å; E405-I409 VanDerWaalsContact O-CG1 3.3Å; E405-I409 WeakPolarHBondContact O-CG1 3.25Å; E405-I409 PolarHBondContact O-N 2.89Å; E405-V419 HydrophobicContact CG-CG2 3.98Å; E405-K442 IonicContact OE2-NZ 3.94Å; E405-K442 PolarHBondContact OE2-NZ 2.97Å; E405-I444 HydrophobicContact CB-CD1 3.84Å; E405-I444 HydrophobicContact CB-CG1 4.27Å; E405-I444 VanDerWaalsContact N-CD1 3.31Å; E405-K504 WeakPolarHBondContact OE1-CD 3.32Å; E405-K504 IonicContact OE1-NZ 3.73Å; E405-K504 PolarHBondContact OE1-NZ 3.15Å; E405-K504 IonicContact OE2-NZ 3.28Å; E405-K504 PolarHBondContact OE2-NZ 3.42Å
406	E	79.1	Confident	87.3	Confident	84 Å²	84	47.9 Å²	47.9	39%	0.393	25%	0.252	S	S	.	.	H	α-helix	trans	-64	-36.8	-179.7	-59.5	77.1	-170.7	0	0	111.7	P404 Q410	P404-E406 VanDerWaalsContact C-N 3.33Å; P404-E406 PolarHBondContact O-N 3Å; E406-Q410 WeakPolarHBondContact O-CB 3.38Å; E406-Q410 PolarHBondContact O-N 3.22Å
407	V	79.2	Confident	87.7	Confident	47 Å²	47	46.9 Å²	46.9	29%	0.285	25%	0.246	S	C	.	.	H	α-helix	trans	-75.9	-37.1	177.9	175.2	0	0	0	0	110.9	L403 P404 E405 Q410 K411	L403-V407 HydrophobicContact CD2-CG1 4.14Å; P404-V407 HydrophobicContact CG-CB 3.8Å; P404-V407 HydrophobicContact CG-CG2 3.57Å; P404-V407 PolarHBondContact O-N 3.18Å; P404-V407 VanDerWaalsContact O-N 3.09Å; E405-V407 VanDerWaalsContact C-N 3.3Å; E405-V407 PolarHBondContact O-N 3.13Å; V407-Q410 PolarHBondContact O-N 3.25Å; V407-K411 VanDerWaalsContact O-CB 3.24Å; V407-K411 WeakPolarHBondContact O-CB 3.41Å; V407-K411 PolarHBondContact O-N 3.34Å
408	A	80.2	Confident	88.2	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-46.8	173.5	0	0	0	0	0	111	L403 P404 E405 K411 F412 V417 I444 L454	L403-A408 HydrophobicContact CB-CB 4.28Å; L403-A408 HydrophobicContact CD1-CB 4.41Å; P404-A408 PolarHBondContact O-N 3.13Å; E405-A408 PolarHBondContact O-N 2.8Å; A408-K411 PolarHBondContact O-N 3.32Å; A408-F412 WeakPolarHBondContact O-CD2 3.49Å; A408-F412 PolarHBondContact O-N 3.24Å; A408-V417 HydrophobicContact CB-CG2 4.27Å; A408-I444 HydrophobicContact CB-CG2 3.71Å; A408-L454 HydrophobicContact CB-CD1 4.22Å
409	I	86	Confident	88.6	Confident	54 Å²	54	47 Å²	47	28%	0.277	25%	0.248	S	C	.	.	H	α-helix	trans	-61.3	-45.1	175.8	-68.7	166.6	0	0	0	110.7	E405 K411 G413 E414 V417	E405-I409 HydrophobicContact CG-CD1 3.99Å; E405-I409 VanDerWaalsContact O-CG1 3.3Å; E405-I409 WeakPolarHBondContact O-CG1 3.25Å; E405-I409 PolarHBondContact O-N 2.89Å; I409-K411 VanDerWaalsContact C-N 3.27Å; I409-K411 PolarHBondContact O-N 3.46Å; I409-G413 WeakPolarHBondContact O-CA 3.39Å; I409-G413 PolarHBondContact O-N 3.23Å; I409-E414 HydrophobicContact CG2-CB 4.01Å; I409-V417 HydrophobicContact CG1-CB 4.31Å; I409-V417 HydrophobicContact CG1-CG1 4.29Å; I409-V417 HydrophobicContact CG1-CG2 4.4Å
410	Q	84	Confident	89	Confident	140 Å²	140	49.6 Å²	49.6	65%	0.654	26%	0.258	S	S	*	.	H	α-helix	trans	-61.5	-35.5	177	-172.3	-177.3	21.7	0	0	112.6	E406 V407	E406-Q410 WeakPolarHBondContact O-CB 3.38Å; E406-Q410 PolarHBondContact O-N 3.22Å; V407-Q410 PolarHBondContact O-N 3.25Å
411	K	87.5	Confident	89.2	Confident	143 Å²	143	50.3 Å²	50.3	62%	0.622	26%	0.261	S	S	*	.	H	α-helix	trans	-83.5	-37.4	-174.6	-174.9	172	179.9	177.1	0	113.5	L403 V407 A408 I409	L403-K411 HydrophobicContact CD1-CD 4.31Å; V407-K411 VanDerWaalsContact O-CB 3.24Å; V407-K411 WeakPolarHBondContact O-CB 3.41Å; V407-K411 PolarHBondContact O-N 3.34Å; A408-K411 PolarHBondContact O-N 3.32Å; I409-K411 VanDerWaalsContact C-N 3.27Å; I409-K411 PolarHBondContact O-N 3.46Å
412	F	91.8	Very high	89.3	Confident	60 Å²	60	50.8 Å²	50.8	26%	0.263	26%	0.264	S	S	.	.	H	α-helix	trans	-114.1	-13.5	-172.4	-58.5	-69.6	0	0	0	113.7	L403 A408 E416 V417 L454	L403-F412 HydrophobicContact CD1-CE2 3.82Å; A408-F412 WeakPolarHBondContact O-CD2 3.49Å; A408-F412 PolarHBondContact O-N 3.24Å; F412-E416 HydrophobicContact CB-CB 4.2Å; F412-E416 WeakPolarHBondContact O-CB 3.43Å; F412-E416 WeakPolarHBondContact O-CG 3.46Å; F412-V417 HydrophobicContact CB-CG2 4.19Å; F412-L454 HydrophobicContact CD2-CD1 3.63Å; F412-L454 HydrophobicContact CE2-CD1 3.65Å; F412-L454 HydrophobicContact CE2-CD2 3.77Å; F412-L454 HydrophobicContact CE2-CG 4.32Å; F412-L454 HydrophobicContact CZ-CD2 4.06Å
413	G	92.7	Very high	89.3	Confident	29 Å²	29	51.4 Å²	51.4	30%	0.299	27%	0.265	S	S	.	.			trans	88	146.4	-172	0	0	0	0	0	112.2	I409 S415 E416 V417	I409-G413 WeakPolarHBondContact O-CA 3.39Å; I409-G413 PolarHBondContact O-N 3.23Å; G413-S415 PolarHBondContact O-N 3.09Å; G413-E416 PolarHBondContact O-N 2.68Å; G413-E416 VanDerWaalsContact O-N 3.13Å; G413-V417 PolarHBondContact O-N 2.85Å
414	E	94.4	Very high	89.6	Confident	137 Å²	137	50.2 Å²	50.2	64%	0.64	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-61.6	-29.9	-179.1	-172.5	175.3	178.1	0	0	112.7	I409 E416 R505	I409-E414 HydrophobicContact CG2-CB 4.01Å; E414-E416 VanDerWaalsContact C-N 3.27Å; E414-E416 PolarHBondContact O-N 2.73Å; E414-R505 PolarHBondContact O-NH2 2.8Å
415	S	95.6	Very high	90	Very high	73 Å²	73	54 Å²	54	51%	0.51	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-67.8	-25.7	177.6	58	0	0	0	0	113.5	G413 R447	G413-S415 PolarHBondContact O-N 3.09Å; S415-R447 VanDerWaalsContact O-CD 3.31Å; S415-R447 WeakPolarHBondContact O-CD 3.2Å; S415-R447 PolarHBondContact O-NH1 3.45Å
416	E	96.8	Very high	90.5	Very high	76 Å²	76	53 Å²	53	36%	0.355	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-96.8	-9.2	-176.1	-71.8	-57.2	111.8	0	0	113.6	F412 G413 E414 K446 R447	F412-E416 HydrophobicContact CB-CB 4.2Å; F412-E416 WeakPolarHBondContact O-CB 3.43Å; F412-E416 WeakPolarHBondContact O-CG 3.46Å; G413-E416 PolarHBondContact O-N 2.68Å; G413-E416 VanDerWaalsContact O-N 3.13Å; E414-E416 VanDerWaalsContact C-N 3.27Å; E414-E416 PolarHBondContact O-N 2.73Å; E416-K446 CarbonylContact O-C 3.55Å; E416-K446 WeakPolarHBondContact O-CA 3.13Å; E416-R447 PolarHBondContact O-N 2.86Å
417	V	95.8	Very high	91.2	Very high	6 Å²	6	53.9 Å²	53.9	4%	0.036	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.9	-178	177.2	0	0	0	0	110.4	A408 I409 F412 G413 V419 I444 C445 R505	A408-V417 HydrophobicContact CB-CG2 4.27Å; I409-V417 HydrophobicContact CG1-CB 4.31Å; I409-V417 HydrophobicContact CG1-CG1 4.29Å; I409-V417 HydrophobicContact CG1-CG2 4.4Å; F412-V417 HydrophobicContact CB-CG2 4.19Å; G413-V417 PolarHBondContact O-N 2.85Å; V417-V419 HydrophobicContact CG1-CG2 4.1Å; V417-I444 HydrophobicContact CG1-CG2 3.72Å; V417-C445 WeakPolarHBondContact CA-O 3.46Å; V417-R505 PolarHBondContact O-NH2 3.27Å
418	E	97.5	Very high	91.9	Very high	25 Å²	25	56.8 Å²	56.8	12%	0.117	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.3	166.8	-163.6	64.5	-90.5	0	0	109.3	Y420 C445 R447 T503 R505	E418-Y420 HydrophobicContact CB-CE2 4.43Å; E418-Y420 HydrophobicContact CG-CD2 4.4Å; E418-Y420 HydrophobicContact CG-CE2 3.9Å; E418-C445 PolarHBondContact N-O 2.89Å; E418-C445 PolarHBondContact O-N 2.92Å; E418-C445 PolarHBondContact O-SG 3.42Å; E418-C445 VanDerWaalsContact O-SG 3.4Å; E418-R447 HydrophobicContact CB-CG 3.68Å; E418-R447 IonicContact OE2-NE 3.65Å; E418-T503 HydrophobicContact CG-CG2 3.87Å; E418-R505 WeakPolarHBondContact OE1-CB 3.35Å; E418-R505 IonicContact OE1-NE 2.63Å; E418-R505 IonicContact OE2-NE 2.85Å; E418-R505 PolarHBondContact OE2-NE 3.16Å
419	V	95.5	Very high	92.6	Very high	8 Å²	8	57.6 Å²	57.6	5%	0.048	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	109.2	-178.8	-174.8	0	0	0	0	109.3	E405 V417 K442 V443 I444 T503 K504	E405-V419 HydrophobicContact CG-CG2 3.98Å; V417-V419 HydrophobicContact CG1-CG2 4.1Å; V419-K442 HydrophobicContact CG1-CB 4.2Å; V419-V443 CarbonylContact C-O 3.37Å; V419-V443 WeakPolarHBondContact CA-O 3.07Å; V419-I444 HydrophobicContact CG1-CG1 4.42Å; V419-I444 HydrophobicContact CG2-CG1 4.34Å; V419-T503 CarbonylContact O-C 3.52Å; V419-T503 WeakPolarHBondContact O-CA 3.26Å; V419-K504 HydrophobicContact CB-CB 4.29Å; V419-K504 HydrophobicContact CB-CD 4Å; V419-K504 HydrophobicContact CB-CG 4.17Å; V419-K504 HydrophobicContact CG1-CD 3.86Å; V419-K504 HydrophobicContact CG1-CG 4.18Å; V419-K504 PolarHBondContact O-N 2.95Å
420	Y	96.5	Very high	92.9	Very high	54 Å²	54	57.3 Å²	57.3	21%	0.212	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	138.6	170.7	-68.1	-101	0	0	0	109.4	E418 K442 V443 C445 V480 L484 L500 V502 T503	E418-Y420 HydrophobicContact CB-CE2 4.43Å; E418-Y420 HydrophobicContact CG-CD2 4.4Å; E418-Y420 HydrophobicContact CG-CE2 3.9Å; Y420-K442 CarbonylContact O-C 3.59Å; Y420-K442 WeakPolarHBondContact O-CA 3.38Å; Y420-V443 PolarHBondContact N-O 3.5Å; Y420-V443 PolarHBondContact O-N 3.08Å; Y420-C445 VanDerWaalsContact CE2-SG 3.57Å; Y420-V480 HydrophobicContact CE2-CG1 4.04Å; Y420-V480 HydrophobicContact CE2-CG2 4.28Å; Y420-L484 HydrophobicContact CE1-CD1 4.25Å; Y420-L500 HydrophobicContact CD1-CB 4.39Å; Y420-V502 WeakPolarHBondContact CA-O 3.42Å; Y420-T503 HydrophobicContact CD1-CG2 3.81Å; Y420-T503 HydrophobicContact CD2-CG2 4.32Å; Y420-T503 HydrophobicContact CE1-CG2 3.68Å; Y420-T503 HydrophobicContact CE2-CG2 4.19Å; Y420-T503 HydrophobicContact CG-CG2 4.13Å
421	H	94.3	Very high	93.4	Very high	18 Å²	18	53.9 Å²	53.9	8%	0.083	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	157.2	-178	68	160.9	0	0	0	114.1	Y440 I441 K442 L500 V502	H421-Y440 HydrophobicContact CB-CE1 4.32Å; H421-Y440 HydrophobicContact CB-CE2 4.23Å; H421-Y440 VanDerWaalsContact CB-OH 3.23Å; H421-Y440 WeakPolarHBondContact CB-OH 3.46Å; H421-Y440 AromaticContact ND1-CE2 3.96Å; H421-Y440 AromaticContact ND1-CZ 3.71Å; H421-Y440 PolarHBondContact ND1-OH 3.47Å; H421-I441 VanDerWaalsContact CA-O 3.28Å; H421-I441 WeakPolarHBondContact CA-O 3.26Å; H421-I441 WeakPolarHBondContact CB-O 3.34Å; H421-K442 HydrophobicContact CB-CB 4.08Å; H421-L500 VanDerWaalsContact C-CD2 3.47Å; H421-V502 PolarHBondContact CD2-O 3.18Å; H421-V502 PolarHBondContact N-O 3.38Å
422	A	90.9	Very high	93.7	Very high	10 Å²	10	48.2 Å²	48.2	8%	0.083	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	146.6	173.2	0	0	0	0	0	111	Y440 I441 L500 A510 V512	A422-Y440 WeakPolarHBondContact O-CA 3.24Å; A422-Y440 WeakPolarHBondContact O-CD2 3.49Å; A422-I441 HydrophobicContact CB-CD1 4.23Å; A422-I441 HydrophobicContact CB-CG1 4Å; A422-I441 PolarHBondContact N-O 3.39Å; A422-I441 VanDerWaalsContact N-O 3.11Å; A422-I441 WeakPolarHBondContact O-CG1 3.34Å; A422-I441 PolarHBondContact O-N 3.2Å; A422-L500 HydrophobicContact CB-CD2 3.72Å; A422-A510 CarbonylContact C-O 3.6Å; A422-A510 WeakPolarHBondContact CA-O 3.44Å; A422-V512 HydrophobicContact CB-CG2 4.07Å
423	S	90.1	Very high	93.6	Very high	38 Å²	38	53.6 Å²	53.6	27%	0.266	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	137.5	159.5	-71.2	0	0	0	0	108.6	C439 A510 V512	S423-C439 WeakPolarHBondContact CA-O 3.17Å; S423-A510 PolarHBondContact N-O 3.06Å; S423-V512 WeakPolarHBondContact O-CB 3.47Å; S423-V512 WeakPolarHBondContact O-CG2 3.38Å
424	F	89.6	Confident	93.4	Very high	11 Å²	11	55.2 Å²	55.2	5%	0.048	28%	0.284	C	S	.	.			trans	-135.1	165.4	-177.1	70	-80.1	0	0	0	111.3	P426 C439 I441 Y458 C493 E496	F424-P426 HydrophobicContact CD2-CG 4.49Å; F424-P426 HydrophobicContact CE2-CG 4.06Å; F424-C439 HydrophobicContact CD1-CB 3.98Å; F424-C439 HydrophobicContact CD2-CB 4.26Å; F424-C439 HydrophobicContact CE1-CB 3.66Å; F424-C439 HydrophobicContact CE2-CB 3.98Å; F424-C439 HydrophobicContact CG-CB 4.26Å; F424-C439 HydrophobicContact CZ-CB 3.67Å; F424-C439 PolarHBondContact N-O 2.86Å; F424-C439 VanDerWaalsContact O-CB 3.28Å; F424-C439 WeakPolarHBondContact O-CB 3.45Å; F424-I441 HydrophobicContact CD1-CG2 4.14Å; F424-I441 HydrophobicContact CE1-CG2 3.71Å; F424-Y458 HydrophobicContact CE1-CE2 4.07Å; F424-Y458 HydrophobicContact CE2-CE2 4.32Å; F424-Y458 HydrophobicContact CZ-CD2 4.41Å; F424-Y458 AromaticContact CZ-CE2 3.52Å; F424-Y458 HydrophobicContact CZ-CE2 3.52Å; F424-Y458 AromaticContact CZ-CZ 3.67Å; F424-C493 HydrophobicContact CE2-CB 3.86Å; F424-E496 HydrophobicContact CB-CB 4.45Å; F424-E496 HydrophobicContact CB-CG 3.78Å; F424-E496 HydrophobicContact CD2-CG 4.11Å; F424-E496 HydrophobicContact CG-CB 4.46Å; F424-E496 HydrophobicContact CG-CG 3.98Å
425	M	89.9	Confident	92.4	Very high	99 Å²	99	56.7 Å²	56.7	49%	0.488	29%	0.288	S	S	.	.			trans	-123	117.1	174.1	-178	169.2	75.1	0	0	109.1	L427 F429	M425-L427 PolarHBondContact O-N 3.33Å; M425-F429 HydrophobicContact CG-CB 4.22Å
426	P	93.3	Very high	90.8	Very high	2 Å²	2	55 Å²	55	1%	0.013	28%	0.277	C	S	.	.			trans	-52.5	136.1	168.5	-26	34.5	0	0	0	110.7	F424 E428 F429 P461	F424-P426 HydrophobicContact CD2-CG 4.49Å; F424-P426 HydrophobicContact CE2-CG 4.06Å; P426-E428 PolarHBondContact O-N 3.2Å; P426-F429 HydrophobicContact CB-CB 4.42Å; P426-F429 HydrophobicContact CB-CD1 4.11Å; P426-F429 HydrophobicContact CB-CD2 4.28Å; P426-F429 HydrophobicContact CB-CE1 4.41Å; P426-F429 HydrophobicContact CB-CG 4.03Å; P426-F429 HydrophobicContact CG-CD1 4.45Å; P426-F429 HydrophobicContact CG-CD2 3.88Å; P426-F429 HydrophobicContact CG-CE1 4.47Å; P426-F429 HydrophobicContact CG-CE2 3.91Å; P426-F429 HydrophobicContact CG-CG 4.16Å; P426-F429 HydrophobicContact CG-CZ 4.2Å; P426-F429 WeakPolarHBondContact O-CB 3.36Å; P426-F429 PolarHBondContact O-N 2.69Å; P426-P461 HydrophobicContact CB-CG 4.18Å; P426-P461 HydrophobicContact CG-CG 3.71Å
427	L	94.4	Very high	89	Confident	101 Å²	101	59.4 Å²	59.4	53%	0.529	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-58.4	-35.7	179.8	178.9	61.4	0	0	0	110.8	M425 F429 S430 P491	M425-L427 PolarHBondContact O-N 3.33Å; L427-F429 PolarHBondContact O-N 3.36Å; L427-F429 VanDerWaalsContact O-N 3.12Å; L427-S430 WeakPolarHBondContact O-CB 3.33Å; L427-S430 PolarHBondContact O-N 3.26Å; L427-S430 VanDerWaalsContact O-N 3.07Å; L427-S430 PolarHBondContact O-OG 3.08Å; L427-P491 HydrophobicContact CD2-CB 3.8Å; L427-P491 HydrophobicContact CD2-CG 3.69Å
428	E	94	Very high	87.6	Confident	109 Å²	109	65.9 Å²	65.9	51%	0.509	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-60.8	-20.1	177.2	-59.2	79.8	-176.1	0	0	113.1	P426 P432	P426-E428 PolarHBondContact O-N 3.2Å; E428-P432 WeakPolarHBondContact O-CD 3.26Å; E428-P432 VanDerWaalsContact O-CG 3.26Å; E428-P432 WeakPolarHBondContact O-CG 3.17Å
429	F	93.6	Very high	87	Confident	17 Å²	17	64.7 Å²	64.7	8%	0.075	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-86.9	-14.3	179.6	-74.3	13.2	0	0	0	112.8	M425 P426 L427 Q433 R434 P461	M425-F429 HydrophobicContact CG-CB 4.22Å; P426-F429 HydrophobicContact CB-CB 4.42Å; P426-F429 HydrophobicContact CB-CD1 4.11Å; P426-F429 HydrophobicContact CB-CD2 4.28Å; P426-F429 HydrophobicContact CB-CE1 4.41Å; P426-F429 HydrophobicContact CB-CG 4.03Å; P426-F429 HydrophobicContact CG-CD1 4.45Å; P426-F429 HydrophobicContact CG-CD2 3.88Å; P426-F429 HydrophobicContact CG-CE1 4.47Å; P426-F429 HydrophobicContact CG-CE2 3.91Å; P426-F429 HydrophobicContact CG-CG 4.16Å; P426-F429 HydrophobicContact CG-CZ 4.2Å; P426-F429 WeakPolarHBondContact O-CB 3.36Å; P426-F429 PolarHBondContact O-N 2.69Å; L427-F429 PolarHBondContact O-N 3.36Å; L427-F429 VanDerWaalsContact O-N 3.12Å; F429-Q433 PolarHBondContact O-N 3.38Å; F429-R434 HydrophobicContact CB-CB 3.84Å; F429-R434 HydrophobicContact CD1-CB 4.46Å; F429-R434 HydrophobicContact CD2-CB 4.01Å; F429-R434 HydrophobicContact CG-CB 3.85Å; F429-R434 HydrophobicContact CG-CG 4.49Å; F429-R434 VanDerWaalsContact CZ-CZ 3.41Å; F429-R434 PolarHBondContact O-N 3.27Å; F429-P461 HydrophobicContact CZ-CG 4.46Å
430	S	92.5	Very high	86.8	Confident	48 Å²	48	66.1 Å²	66.1	34%	0.336	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-53.4	-175.6	63.8	0	0	0	0	112.7	L427 Q433	L427-S430 WeakPolarHBondContact O-CB 3.33Å; L427-S430 PolarHBondContact O-N 3.26Å; L427-S430 VanDerWaalsContact O-N 3.07Å; L427-S430 PolarHBondContact O-OG 3.08Å; S430-Q433 PolarHBondContact O-N 3.29Å; S430-Q433 VanDerWaalsContact O-N 3.11Å
431	V	94.1	Very high	86.5	Confident	67 Å²	67	63.6 Å²	63.6	41%	0.406	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-49.5	-180	179.4	0	0	0	0	112.6	A69 F70 Q433	A69-V431 HydrophobicContact CB-CG1 4.22Å; A69-V431 WeakPolarHBondContact O-CG1 3.48Å; F70-V431 HydrophobicContact CD1-CB 4.3Å; F70-V431 HydrophobicContact CD1-CG1 3.95Å; F70-V431 HydrophobicContact CD1-CG2 4.44Å; F70-V431 HydrophobicContact CD2-CG1 4.3Å; F70-V431 HydrophobicContact CE1-CB 3.71Å; F70-V431 HydrophobicContact CE1-CG1 3.89Å; F70-V431 HydrophobicContact CE1-CG2 3.67Å; F70-V431 HydrophobicContact CE2-CB 4.02Å; F70-V431 HydrophobicContact CE2-CG1 4.24Å; F70-V431 HydrophobicContact CG-CG1 4.17Å; F70-V431 HydrophobicContact CZ-CB 3.56Å; F70-V431 HydrophobicContact CZ-CG1 4.04Å; F70-V431 HydrophobicContact CZ-CG2 3.88Å; V431-Q433 PolarHBondContact O-N 2.95Å
432	P	93.6	Very high	86.5	Confident	25 Å²	25	62.9 Å²	62.9	16%	0.162	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	3.6	175.3	32.2	-37	0	0	0	113.7	D66 A69 F70 E428 R434	D66-P432 HydrophobicContact CB-CB 4.02Å; D66-P432 HydrophobicContact CB-CG 4.21Å; A69-P432 HydrophobicContact CB-CB 3.98Å; F70-P432 HydrophobicContact CE2-CG 4.33Å; E428-P432 WeakPolarHBondContact O-CD 3.26Å; E428-P432 VanDerWaalsContact O-CG 3.26Å; E428-P432 WeakPolarHBondContact O-CG 3.17Å; P432-R434 VanDerWaalsContact C-N 3.26Å; P432-R434 HydrophobicContact CB-CG 4.27Å; P432-R434 HydrophobicContact CG-CG 4.03Å; P432-R434 PolarHBondContact O-N 3.07Å
433	Q	91.6	Very high	86.7	Confident	173 Å²	173	62.5 Å²	62.5	81%	0.808	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	40.8	179.3	-56.2	-179.3	7.8	0	0	113.3	F429 S430 V431	F429-Q433 PolarHBondContact O-N 3.38Å; S430-Q433 PolarHBondContact O-N 3.29Å; S430-Q433 VanDerWaalsContact O-N 3.11Å; V431-Q433 PolarHBondContact O-N 2.95Å
434	R	87	Confident	87	Confident	62 Å²	62	60.7 Å²	60.7	23%	0.234	30%	0.295	C	S	.	.			trans	-70.2	139.5	177.7	-72.1	178.6	62.5	166.9	-1	110	Q62 D66 F429 P432 S436	Q62-R434 VanDerWaalsContact CG-NH1 3.28Å; D66-R434 WeakPolarHBondContact OD2-CD 3.24Å; D66-R434 IonicContact OD2-CZ 3.6Å; D66-R434 IonicContact OD2-NH1 3.81Å; D66-R434 PolarHBondContact OD2-NH1 2.98Å; F429-R434 HydrophobicContact CB-CB 3.84Å; F429-R434 HydrophobicContact CD1-CB 4.46Å; F429-R434 HydrophobicContact CD2-CB 4.01Å; F429-R434 HydrophobicContact CG-CB 3.85Å; F429-R434 HydrophobicContact CG-CG 4.49Å; F429-R434 VanDerWaalsContact CZ-CZ 3.41Å; F429-R434 PolarHBondContact O-N 3.27Å; P432-R434 VanDerWaalsContact C-N 3.26Å; P432-R434 HydrophobicContact CB-CG 4.27Å; P432-R434 HydrophobicContact CG-CG 4.03Å; P432-R434 PolarHBondContact O-N 3.07Å; R434-S436 PolarHBondContact O-N 3.37Å; R434-S436 VanDerWaalsContact O-N 3.12Å
435	K	74.1	Confident	87.3	Confident	168 Å²	168	60.2 Å²	60.2	73%	0.73	29%	0.293	S	S	*	.			trans	-62.4	115.6	174.4	-63.5	-171.4	178.4	-170.9	0	110.3
436	S	62	Low	87.7	Confident	39 Å²	39	58.4 Å²	58.4	27%	0.273	28%	0.282	S	S	.	.			trans	-82.5	-14	-176.9	60	0	0	0	0	114.4	R434 K438 C439	R434-S436 PolarHBondContact O-N 3.37Å; R434-S436 VanDerWaalsContact O-N 3.12Å; S436-K438 PolarHBondContact O-N 2.82Å; S436-C439 PolarHBondContact O-N 2.95Å
437	E	58.1	Low	87.8	Confident	168 Å²	168	64.1 Å²	64.1	79%	0.785	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-8.8	-177.1	-62.2	173.7	-174.7	0	0	114.9
438	K	66.6	Low	87.8	Confident	141 Å²	141	61.6 Å²	61.6	61%	0.613	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-18.3	179.1	-58.8	-173.4	179.9	-177.1	0	114.2	V396 S436 C459	V396-K438 HydrophobicContact CG2-CB 4.18Å; V396-K438 HydrophobicContact CG2-CD 4.13Å; S436-K438 PolarHBondContact O-N 2.82Å; K438-C459 PolarHBondContact O-SG 3.26Å
439	C	86.4	Confident	87.8	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.007	31%	0.307	C	S	.	.			trans	-92.6	128.4	-176.9	-65.1	0	0	0	0	110.7	S423 F424 S436 C459	S423-C439 WeakPolarHBondContact CA-O 3.17Å; F424-C439 HydrophobicContact CD1-CB 3.98Å; F424-C439 HydrophobicContact CD2-CB 4.26Å; F424-C439 HydrophobicContact CE1-CB 3.66Å; F424-C439 HydrophobicContact CE2-CB 3.98Å; F424-C439 HydrophobicContact CG-CB 4.26Å; F424-C439 HydrophobicContact CZ-CB 3.67Å; F424-C439 PolarHBondContact N-O 2.86Å; F424-C439 VanDerWaalsContact O-CB 3.28Å; F424-C439 WeakPolarHBondContact O-CB 3.45Å; S436-C439 PolarHBondContact O-N 2.95Å; C439-C459 CarbonylContact C-O 3.39Å; C439-C459 VanDerWaalsContact CA-O 3.25Å; C439-C459 WeakPolarHBondContact CA-O 3.42Å
440	Y	89.5	Confident	87.7	Confident	38 Å²	38	64.1 Å²	64.1	15%	0.149	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	143.8	-173.4	-177.9	-84.9	0	0	0	111.4	F204 H421 A422 K442 C459 A510	F204-Y440 AromaticContact CD2-CD1 3.99Å; F204-Y440 HydrophobicContact CD2-CD1 3.99Å; F204-Y440 HydrophobicContact CD2-CE1 4.15Å; F204-Y440 HydrophobicContact CE1-CD1 4.24Å; F204-Y440 AromaticContact CE2-CD1 3.11Å; F204-Y440 HydrophobicContact CE2-CD1 3.11Å; F204-Y440 AromaticContact CE2-CE1 3.71Å; F204-Y440 HydrophobicContact CE2-CE1 3.71Å; F204-Y440 AromaticContact CE2-CG 3.71Å; F204-Y440 HydrophobicContact CE2-CG 3.71Å; F204-Y440 AromaticContact CZ-CD1 3.27Å; F204-Y440 HydrophobicContact CZ-CD1 3.27Å; F204-Y440 HydrophobicContact CZ-CE1 4.05Å; F204-Y440 HydrophobicContact CZ-CG 4.05Å; H421-Y440 HydrophobicContact CB-CE1 4.32Å; H421-Y440 HydrophobicContact CB-CE2 4.23Å; H421-Y440 VanDerWaalsContact CB-OH 3.23Å; H421-Y440 WeakPolarHBondContact CB-OH 3.46Å; H421-Y440 AromaticContact ND1-CE2 3.96Å; H421-Y440 AromaticContact ND1-CZ 3.71Å; H421-Y440 PolarHBondContact ND1-OH 3.47Å; A422-Y440 WeakPolarHBondContact O-CA 3.24Å; A422-Y440 WeakPolarHBondContact O-CD2 3.49Å; Y440-K442 HydrophobicContact CE1-CB 3.86Å; Y440-K442 HydrophobicContact CE1-CD 4.35Å; Y440-K442 HydrophobicContact CE1-CG 4.15Å; Y440-C459 PolarHBondContact N-O 2.88Å; Y440-C459 PolarHBondContact O-N 3.06Å; Y440-A510 HydrophobicContact CE2-CB 3.91Å
441	I	91.6	Very high	87.8	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.3	175.4	53.8	169.2	0	0	0	110.8	H421 A422 F424 H457 Y458 E496 L497 L500	H421-I441 VanDerWaalsContact CA-O 3.28Å; H421-I441 WeakPolarHBondContact CA-O 3.26Å; H421-I441 WeakPolarHBondContact CB-O 3.34Å; A422-I441 HydrophobicContact CB-CD1 4.23Å; A422-I441 HydrophobicContact CB-CG1 4Å; A422-I441 PolarHBondContact N-O 3.39Å; A422-I441 VanDerWaalsContact N-O 3.11Å; A422-I441 WeakPolarHBondContact O-CG1 3.34Å; A422-I441 PolarHBondContact O-N 3.2Å; F424-I441 HydrophobicContact CD1-CG2 4.14Å; F424-I441 HydrophobicContact CE1-CG2 3.71Å; I441-H457 WeakPolarHBondContact CA-O 3.49Å; I441-Y458 HydrophobicContact CG2-CD2 3.38Å; I441-Y458 HydrophobicContact CG2-CE2 4.01Å; I441-Y458 HydrophobicContact CG2-CG 4.18Å; I441-E496 HydrophobicContact CD1-CB 3.61Å; I441-E496 WeakPolarHBondContact CD1-O 3.43Å; I441-L497 HydrophobicContact CB-CD2 4.02Å; I441-L497 HydrophobicContact CD1-CD2 4.18Å; I441-L497 HydrophobicContact CD1-CG 4.22Å; I441-L497 HydrophobicContact CG2-CD2 4.21Å; I441-L497 HydrophobicContact CG2-CG 4.29Å; I441-L500 HydrophobicContact CD1-CD1 4.37Å; I441-L500 HydrophobicContact CD1-CD2 3.56Å; I441-L500 HydrophobicContact CD1-CG 4.01Å; I441-L500 HydrophobicContact CG1-CD2 3.97Å
442	K	93.4	Very high	88	Confident	3 Å²	3	62.6 Å²	62.6	1%	0.013	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	143.9	165.3	63.3	174.9	-169.5	179	0	112.4	E405 V419 Y420 H421 Y440 H457	E405-K442 IonicContact OE2-NZ 3.94Å; E405-K442 PolarHBondContact OE2-NZ 2.97Å; V419-K442 HydrophobicContact CG1-CB 4.2Å; Y420-K442 CarbonylContact O-C 3.59Å; Y420-K442 WeakPolarHBondContact O-CA 3.38Å; H421-K442 HydrophobicContact CB-CB 4.08Å; Y440-K442 HydrophobicContact CE1-CB 3.86Å; Y440-K442 HydrophobicContact CE1-CD 4.35Å; Y440-K442 HydrophobicContact CE1-CG 4.15Å; K442-H457 HydrophobicContact CD-CB 4.43Å; K442-H457 VanDerWaalsContact CE-CD2 3.47Å; K442-H457 WeakPolarHBondContact CE-CD2 3.19Å; K442-H457 HydrophobicContact CG-CB 3.62Å; K442-H457 PolarHBondContact N-O 3.13Å; K442-H457 PolarHBondContact O-N 2.99Å
443	V	96.1	Very high	88.2	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.012	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124	173.7	175.9	0	0	0	0	108	V419 Y420 V453 G455 V456 L483 L497 L500	V419-V443 CarbonylContact C-O 3.37Å; V419-V443 WeakPolarHBondContact CA-O 3.07Å; Y420-V443 PolarHBondContact N-O 3.5Å; Y420-V443 PolarHBondContact O-N 3.08Å; V443-V453 HydrophobicContact CG1-CG1 3.79Å; V443-V453 HydrophobicContact CG1-CG2 4.02Å; V443-G455 WeakPolarHBondContact CA-O 3.28Å; V443-V456 HydrophobicContact CG2-CG1 4.23Å; V443-V456 HydrophobicContact CG2-CG2 4.34Å; V443-L483 HydrophobicContact CB-CD2 4.44Å; V443-L483 HydrophobicContact CG1-CD2 3.94Å; V443-L483 HydrophobicContact CG2-CD2 3.99Å; V443-L497 HydrophobicContact CG2-CD2 3.79Å; V443-L500 HydrophobicContact CB-CD1 3.92Å; V443-L500 HydrophobicContact CG2-CD1 3.47Å; V443-L500 VanDerWaalsContact CG2-CD1 3.47Å
444	I	94.9	Very high	88.3	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.3	180	-57.2	152.7	0	0	0	107	L403 E405 A408 V417 V419 L454 G455 H457	L403-I444 WeakPolarHBondContact O-CD1 3.42Å; E405-I444 HydrophobicContact CB-CD1 3.84Å; E405-I444 HydrophobicContact CB-CG1 4.27Å; E405-I444 VanDerWaalsContact N-CD1 3.31Å; A408-I444 HydrophobicContact CB-CG2 3.71Å; V417-I444 HydrophobicContact CG1-CG2 3.72Å; V419-I444 HydrophobicContact CG1-CG1 4.42Å; V419-I444 HydrophobicContact CG2-CG1 4.34Å; I444-L454 HydrophobicContact CG2-CB 4.22Å; I444-L454 HydrophobicContact CG2-CD1 4.45Å; I444-L454 PolarHBondContact O-N 3.42Å; I444-G455 PolarHBondContact N-O 3.01Å; I444-G455 PolarHBondContact O-N 3.26Å; I444-G455 VanDerWaalsContact O-N 3.17Å; I444-H457 VanDerWaalsContact CD1-NE2 3.33Å; I444-H457 WeakPolarHBondContact CD1-NE2 3.25Å
445	C	97.5	Very high	88.6	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.007	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	164.7	-177.3	55.6	0	0	0	0	112.1	V417 E418 Y420 H452 V480	V417-C445 WeakPolarHBondContact CA-O 3.46Å; E418-C445 PolarHBondContact N-O 2.89Å; E418-C445 PolarHBondContact O-N 2.92Å; E418-C445 PolarHBondContact O-SG 3.42Å; E418-C445 VanDerWaalsContact O-SG 3.4Å; Y420-C445 VanDerWaalsContact CE2-SG 3.57Å; C445-H452 CarbonylContact C-O 3.56Å; C445-H452 WeakPolarHBondContact CA-O 3.18Å; C445-H452 WeakPolarHBondContact CB-O 3.28Å; C445-V480 HydrophobicContact CB-CG2 3.43Å; C445-V480 VanDerWaalsContact CB-CG2 3.43Å; C445-V480 WeakPolarHBondContact SG-CG2 3.41Å
446	K	97.3	Very high	89.5	Confident	61 Å²	61	43.7 Å²	43.7	27%	0.265	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	145.3	166.8	-67.7	-172.1	175.7	-174.1	0	110.4	E416 S451 H452 L454	E416-K446 CarbonylContact O-C 3.55Å; E416-K446 WeakPolarHBondContact O-CA 3.13Å; K446-S451 WeakPolarHBondContact O-CA 3.34Å; K446-S451 WeakPolarHBondContact O-CB 3.49Å; K446-H452 PolarHBondContact N-O 3.45Å; K446-L454 HydrophobicContact CD-CD2 4.49Å; K446-L454 HydrophobicContact CG-CD1 3.86Å; K446-L454 HydrophobicContact CG-CD2 3.97Å; K446-L454 HydrophobicContact CG-CG 4.06Å
447	R	96.3	Very high	91	Very high	123 Å²	123	41.9 Å²	41.9	46%	0.464	21%	0.214	S	C	.	.	S	Bend	trans	-79.8	-33.3	170.2	-71.3	-179.4	70.3	-137.3	-0.9	112.7	S415 E416 E418	S415-R447 VanDerWaalsContact O-CD 3.31Å; S415-R447 WeakPolarHBondContact O-CD 3.2Å; S415-R447 PolarHBondContact O-NH1 3.45Å; E416-R447 PolarHBondContact O-N 2.86Å; E418-R447 HydrophobicContact CB-CG 3.68Å; E418-R447 IonicContact OE2-NE 3.65Å
448	S	94.3	Very high	92.6	Very high	48 Å²	48	33.9 Å²	33.9	34%	0.336	18%	0.176	S	C	.	.	S	Bend	trans	-62.4	137.1	175.2	64.6	0	0	0	0	110.9	P450 S451	S448-P450 CarbonylContact O-C 3.35Å; S448-S451 PolarHBondContact O-N 2.94Å
449	S	92.6	Very high	93.7	Very high	110 Å²	110	28 Å²	28	77%	0.769	15%	0.153	S	C	*	.	S	Bend	trans	-70.6	136.2	170.3	-173.2	0	0	0	0	111
450	P	92	Very high	93.9	Very high	68 Å²	68	28 Å²	28	44%	0.442	15%	0.153	S	C	.	.	S	Bend	cis	-73.2	135.2	-3.8	-8.6	26	0	0	0	110.2	S448 H452 T479	S448-P450 CarbonylContact O-C 3.35Å; P450-H452 PolarHBondContact O-N 2.85Å; P450-H452 PolarHBondContact O-ND1 3.32Å; P450-T479 HydrophobicContact CB-CG2 4.08Å
451	S	95.2	Very high	94	Very high	27 Å²	27	27.5 Å²	27.5	19%	0.189	15%	0.154	C	C	.	.			trans	-71.1	69	-177.3	-54.5	0	0	0	0	111.3	K446 S448 T479 V480	K446-S451 WeakPolarHBondContact O-CA 3.34Å; K446-S451 WeakPolarHBondContact O-CB 3.49Å; S448-S451 PolarHBondContact O-N 2.94Å; S451-T479 CarbonylContact O-C 3.54Å; S451-T479 WeakPolarHBondContact O-CA 3.45Å; S451-V480 WeakPolarHBondContact O-CG2 3.37Å; S451-V480 PolarHBondContact O-N 2.69Å
452	H	97.4	Very high	94.2	Very high	57 Å²	57	32.2 Å²	32.2	26%	0.264	18%	0.179	S	C	.	.	B	Isolated β-bridge	trans	-64.8	135.9	-175.2	-72	87.7	0	0	0	110.7	C445 K446 P450 L454	C445-H452 CarbonylContact C-O 3.56Å; C445-H452 WeakPolarHBondContact CA-O 3.18Å; C445-H452 WeakPolarHBondContact CB-O 3.28Å; K446-H452 PolarHBondContact N-O 3.45Å; P450-H452 PolarHBondContact O-N 2.85Å; P450-H452 PolarHBondContact O-ND1 3.32Å; H452-L454 PolarHBondContact O-N 2.86Å
453	V	97.6	Very high	94.2	Very high	8 Å²	8	32.1 Å²	32.1	5%	0.048	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	122.7	169.7	178.1	0	0	0	0	108.8	V443 V456 M474 L478 V480	V443-V453 HydrophobicContact CG1-CG1 3.79Å; V443-V453 HydrophobicContact CG1-CG2 4.02Å; V453-V456 HydrophobicContact CG1-CG2 3.71Å; V453-M474 HydrophobicContact CG1-CE 4.31Å; V453-M474 HydrophobicContact CG1-CG 4.44Å; V453-M474 HydrophobicContact CG1-SD 4.17Å; V453-L478 HydrophobicContact CB-CB 4.47Å; V453-L478 HydrophobicContact CB-CD2 4.31Å; V453-L478 HydrophobicContact CB-CG 4.34Å; V453-L478 WeakPolarHBondContact CB-O 3.49Å; V453-L478 HydrophobicContact CG2-CD2 4.03Å; V453-L478 HydrophobicContact CG2-CG 3.93Å; V453-L478 PolarHBondContact N-O 3.11Å; V453-V480 HydrophobicContact CG2-CG2 4.35Å
454	L	94.8	Very high	94.1	Very high	21 Å²	21	32.7 Å²	32.7	11%	0.11	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-28.5	179.8	-62.4	177.6	0	0	0	112.3	G402 L403 A408 F412 I444 K446 H452	G402-L454 WeakPolarHBondContact CA-O 3.42Å; L403-L454 PolarHBondContact N-O 3.01Å; A408-L454 HydrophobicContact CB-CD1 4.22Å; F412-L454 HydrophobicContact CD2-CD1 3.63Å; F412-L454 HydrophobicContact CE2-CD1 3.65Å; F412-L454 HydrophobicContact CE2-CD2 3.77Å; F412-L454 HydrophobicContact CE2-CG 4.32Å; F412-L454 HydrophobicContact CZ-CD2 4.06Å; I444-L454 HydrophobicContact CG2-CB 4.22Å; I444-L454 HydrophobicContact CG2-CD1 4.45Å; I444-L454 PolarHBondContact O-N 3.42Å; K446-L454 HydrophobicContact CD-CD2 4.49Å; K446-L454 HydrophobicContact CG-CD1 3.86Å; K446-L454 HydrophobicContact CG-CD2 3.97Å; K446-L454 HydrophobicContact CG-CG 4.06Å; H452-L454 PolarHBondContact O-N 2.86Å
455	G	92.2	Very high	94.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	147.5	177.2	0	0	0	0	0	113	V401 V443 I444	V401-G455 CarbonylContact O-C 3.56Å; V401-G455 VanDerWaalsContact O-CA 3.23Å; V401-G455 WeakPolarHBondContact O-CA 3.46Å; V443-G455 WeakPolarHBondContact CA-O 3.28Å; I444-G455 PolarHBondContact N-O 3.01Å; I444-G455 PolarHBondContact O-N 3.26Å; I444-G455 VanDerWaalsContact O-N 3.17Å
456	V	94.8	Very high	94.2	Very high	1 Å²	1	40 Å²	40	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.5	174.4	-175.9	0	0	0	0	108.1	C400 V401 V443 V453 M467 M474 L497	C400-V456 CarbonylContact C-O 3.42Å; C400-V456 WeakPolarHBondContact CA-O 3.47Å; C400-V456 WeakPolarHBondContact CB-O 3.29Å; V401-V456 HydrophobicContact CG1-CB 4.19Å; V401-V456 PolarHBondContact N-O 3.23Å; V401-V456 PolarHBondContact O-N 3Å; V443-V456 HydrophobicContact CG2-CG1 4.23Å; V443-V456 HydrophobicContact CG2-CG2 4.34Å; V453-V456 HydrophobicContact CG1-CG2 3.71Å; V456-M467 HydrophobicContact CB-CE 4.36Å; V456-M467 HydrophobicContact CB-SD 4.12Å; V456-M467 HydrophobicContact CG1-CE 3.91Å; V456-M467 HydrophobicContact CG1-SD 4.14Å; V456-M474 HydrophobicContact CG2-CG 4.5Å; V456-M474 HydrophobicContact CG2-SD 3.87Å; V456-L497 HydrophobicContact CG1-CD1 4.29Å; V456-L497 HydrophobicContact CG1-CD2 3.75Å
457	H	92.6	Very high	94.2	Very high	2 Å²	2	37 Å²	37	1%	0.009	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.8	179.1	-60.1	-99.5	0	0	0	109.7	F204 Y398 C400 L403 I441 K442 I444	F204-H457 HydrophobicContact CD1-CB 4.3Å; F204-H457 HydrophobicContact CE1-CB 4.01Å; Y398-H457 HydrophobicContact CE2-CB 4.18Å; Y398-H457 AromaticContact CE2-ND1 3.99Å; Y398-H457 AromaticContact CZ-ND1 3.83Å; Y398-H457 PolarHBondContact OH-ND1 3.1Å; C400-H457 WeakPolarHBondContact CB-ND1 3.02Å; L403-H457 PolarHBondContact O-NE2 3.01Å; I441-H457 WeakPolarHBondContact CA-O 3.49Å; K442-H457 HydrophobicContact CD-CB 4.43Å; K442-H457 VanDerWaalsContact CE-CD2 3.47Å; K442-H457 WeakPolarHBondContact CE-CD2 3.19Å; K442-H457 HydrophobicContact CG-CB 3.62Å; K442-H457 PolarHBondContact N-O 3.13Å; K442-H457 PolarHBondContact O-N 2.99Å; I444-H457 VanDerWaalsContact CD1-NE2 3.33Å; I444-H457 WeakPolarHBondContact CD1-NE2 3.25Å
458	Y	91.2	Very high	94.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	128.6	-177.5	175.6	-81.6	0	0	0	109.4	Y398 S399 F424 I441 P461 A463 I466 C493 L497	Y398-Y458 CarbonylContact C-O 3.59Å; Y398-Y458 WeakPolarHBondContact CA-O 3.44Å; Y398-Y458 WeakPolarHBondContact CD2-O 3.41Å; S399-Y458 PolarHBondContact N-O 2.89Å; S399-Y458 PolarHBondContact O-N 2.74Å; F424-Y458 HydrophobicContact CE1-CE2 4.07Å; F424-Y458 HydrophobicContact CE2-CE2 4.32Å; F424-Y458 HydrophobicContact CZ-CD2 4.41Å; F424-Y458 AromaticContact CZ-CE2 3.52Å; F424-Y458 HydrophobicContact CZ-CE2 3.52Å; F424-Y458 AromaticContact CZ-CZ 3.67Å; I441-Y458 HydrophobicContact CG2-CD2 3.38Å; I441-Y458 HydrophobicContact CG2-CE2 4.01Å; I441-Y458 HydrophobicContact CG2-CG 4.18Å; Y458-P461 WeakPolarHBondContact CE1-O 3.26Å; Y458-P461 PolarHBondContact OH-O 2.93Å; Y458-A463 HydrophobicContact CD1-CB 3.47Å; Y458-A463 VanDerWaalsContact CD1-CB 3.47Å; Y458-A463 HydrophobicContact CE1-CB 3.69Å; Y458-I466 HydrophobicContact CD2-CD1 4.37Å; Y458-I466 HydrophobicContact CD2-CG2 4.34Å; Y458-I466 HydrophobicContact CE1-CD1 3.93Å; Y458-I466 HydrophobicContact CE2-CD1 3.62Å; Y458-I466 VanDerWaalsContact OH-CD1 3.26Å; Y458-I466 WeakPolarHBondContact OH-CD1 3.26Å; Y458-C493 HydrophobicContact CE2-CB 4.4Å; Y458-C493 VanDerWaalsContact OH-CB 3.25Å; Y458-C493 WeakPolarHBondContact OH-CB 3.47Å; Y458-L497 HydrophobicContact CD2-CD1 4.4Å
459	C	90.3	Very high	94.4	Very high	18 Å²	18	36.4 Å²	36.4	12%	0.122	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	115.7	171.2	-172.3	0	0	0	0	108	F204 E397 K438 C439 Y440	F204-C459 HydrophobicContact CE1-CB 4.3Å; F204-C459 HydrophobicContact CE2-CB 4.49Å; F204-C459 HydrophobicContact CZ-CB 3.66Å; E397-C459 CarbonylContact O-C 3.59Å; E397-C459 VanDerWaalsContact O-CA 3.32Å; E397-C459 WeakPolarHBondContact O-CA 3.22Å; K438-C459 PolarHBondContact O-SG 3.26Å; C439-C459 CarbonylContact C-O 3.39Å; C439-C459 VanDerWaalsContact CA-O 3.25Å; C439-C459 WeakPolarHBondContact CA-O 3.42Å; Y440-C459 PolarHBondContact N-O 2.88Å; Y440-C459 PolarHBondContact O-N 3.06Å
460	G	89.8	Confident	94.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.1	-178.3	-172.9	0	0	0	0	0	112.5	E397	E397-G460 WeakPolarHBondContact CB-O 3.5Å; E397-G460 PolarHBondContact N-O 2.72Å; E397-G460 PolarHBondContact O-N 3.33Å
461	P	92.6	Very high	94.8	Very high	28 Å²	28	29.6 Å²	29.6	18%	0.182	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	151.7	174.3	29.2	-34.3	0	0	0	111.3	P426 F429 Y458 A463	P426-P461 HydrophobicContact CB-CG 4.18Å; P426-P461 HydrophobicContact CG-CG 3.71Å; F429-P461 HydrophobicContact CZ-CG 4.46Å; Y458-P461 WeakPolarHBondContact CE1-O 3.26Å; Y458-P461 PolarHBondContact OH-O 2.93Å; P461-A463 PolarHBondContact O-N 3.19Å
462	N	96.2	Very high	94.9	Very high	99 Å²	99	32.5 Å²	32.5	53%	0.529	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	34.9	174.9	-50.9	-50.1	0	0	0	113.8	E397 G464 E465 I466	E397-N462 WeakPolarHBondContact OE2-CA 3.39Å; E397-N462 PolarHBondContact OE2-N 2.93Å; N462-G464 VanDerWaalsContact C-N 3.29Å; N462-G464 PolarHBondContact O-N 3.22Å; N462-E465 HydrophobicContact CB-CB 4.43Å; N462-E465 HydrophobicContact CB-CG 4.34Å; N462-E465 PolarHBondContact O-N 3.48Å; N462-E465 VanDerWaalsContact O-N 3.13Å; N462-I466 PolarHBondContact O-N 3.26Å
463	A	93.1	Very high	94.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61	-38.8	-170.3	0	0	0	0	0	112.3	T391 E397 S399 Y458 P461 M467	T391-A463 HydrophobicContact CG2-CB 4.38Å; E397-A463 HydrophobicContact CB-CB 3.53Å; E397-A463 PolarHBondContact OE2-N 2.82Å; S399-A463 VanDerWaalsContact CB-O 3.3Å; S399-A463 WeakPolarHBondContact CB-O 3.45Å; Y458-A463 HydrophobicContact CD1-CB 3.47Å; Y458-A463 VanDerWaalsContact CD1-CB 3.47Å; Y458-A463 HydrophobicContact CE1-CB 3.69Å; P461-A463 PolarHBondContact O-N 3.19Å; A463-M467 VanDerWaalsContact O-CB 3.31Å; A463-M467 WeakPolarHBondContact O-CB 3.41Å; A463-M467 PolarHBondContact O-N 3.37Å
464	G	93.8	Very high	94.8	Very high	15 Å²	15	31 Å²	31	16%	0.155	18%	0.182	C	C	.	.	H	α-helix	trans	-66	-38.7	177.4	0	0	0	0	0	113.6	T391 N462 Q468	T391-G464 VanDerWaalsContact OG1-CA 3.22Å; T391-G464 WeakPolarHBondContact OG1-CA 3.23Å; N462-G464 VanDerWaalsContact C-N 3.29Å; N462-G464 PolarHBondContact O-N 3.22Å; G464-Q468 WeakPolarHBondContact O-CB 3.49Å; G464-Q468 PolarHBondContact O-N 3.32Å
465	E	98	Very high	94.7	Very high	129 Å²	129	35.8 Å²	35.8	60%	0.603	20%	0.199	S	C	*	.	H	α-helix	trans	-67.4	-40.3	-179.8	-50.1	-54.1	157.5	0	0	110.8	K52 N462	K52-E465 IonicContact NZ-OE1 3.89Å; N462-E465 HydrophobicContact CB-CB 4.43Å; N462-E465 HydrophobicContact CB-CG 4.34Å; N462-E465 PolarHBondContact O-N 3.48Å; N462-E465 VanDerWaalsContact O-N 3.13Å
466	I	97.2	Very high	94.9	Very high	24 Å²	24	40.2 Å²	40.2	12%	0.123	23%	0.229	C	C	.	.	H	α-helix	trans	-67.9	-51.8	177.3	-65.3	170.3	0	0	0	110.7	Y458 N462 Q468 G469 F470 C493 A494 L497	Y458-I466 HydrophobicContact CD2-CD1 4.37Å; Y458-I466 HydrophobicContact CD2-CG2 4.34Å; Y458-I466 HydrophobicContact CE1-CD1 3.93Å; Y458-I466 HydrophobicContact CE2-CD1 3.62Å; Y458-I466 VanDerWaalsContact OH-CD1 3.26Å; Y458-I466 WeakPolarHBondContact OH-CD1 3.26Å; N462-I466 PolarHBondContact O-N 3.26Å; I466-Q468 VanDerWaalsContact C-N 3.25Å; I466-Q468 PolarHBondContact O-N 3.43Å; I466-G469 PolarHBondContact O-N 2.84Å; I466-F470 HydrophobicContact CG2-CD2 4.06Å; I466-F470 HydrophobicContact CG2-CE2 3.84Å; I466-F470 WeakPolarHBondContact O-CD2 3.37Å; I466-C493 HydrophobicContact CD1-CB 4.03Å; I466-A494 HydrophobicContact CD1-CB 4.29Å; I466-A494 HydrophobicContact CG1-CB 4.07Å; I466-A494 HydrophobicContact CG2-CB 4.08Å; I466-L497 HydrophobicContact CG2-CD1 3.95Å
467	M	96.5	Very high	94.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65	-28.9	-172.6	-169	60	57.3	0	0	113.2	P389 S399 V401 V456 A463 G469 F470 A471	P389-M467 HydrophobicContact CB-CG 4.24Å; S399-M467 WeakPolarHBondContact O-CE 3.35Å; S399-M467 WeakPolarHBondContact OG-CB 3.45Å; S399-M467 VanDerWaalsContact OG-CG 3.23Å; S399-M467 WeakPolarHBondContact OG-CG 3.39Å; V401-M467 HydrophobicContact CB-CG 4.26Å; V401-M467 HydrophobicContact CB-SD 3.94Å; V401-M467 HydrophobicContact CG1-CG 4.11Å; V401-M467 HydrophobicContact CG1-SD 3.28Å; V401-M467 WeakPolarHBondContact CG1-SD 3.48Å; V456-M467 HydrophobicContact CB-CE 4.36Å; V456-M467 HydrophobicContact CB-SD 4.12Å; V456-M467 HydrophobicContact CG1-CE 3.91Å; V456-M467 HydrophobicContact CG1-SD 4.14Å; A463-M467 VanDerWaalsContact O-CB 3.31Å; A463-M467 WeakPolarHBondContact O-CB 3.41Å; A463-M467 PolarHBondContact O-N 3.37Å; M467-G469 VanDerWaalsContact C-N 3.28Å; M467-G469 PolarHBondContact O-N 2.69Å; M467-F470 PolarHBondContact O-N 2.61Å; M467-F470 HydrophobicContact SD-CB 4.33Å; M467-A471 PolarHBondContact O-N 3.11Å
468	Q	97.7	Very high	95.1	Very high	110 Å²	110	45 Å²	45	51%	0.514	25%	0.254	S	S	.	.	H	α-helix	trans	-59.2	-37.9	-178.4	-175.3	57.7	83.3	0	0	112.5	G464 I466	G464-Q468 WeakPolarHBondContact O-CB 3.49Å; G464-Q468 PolarHBondContact O-N 3.32Å; I466-Q468 VanDerWaalsContact C-N 3.25Å; I466-Q468 PolarHBondContact O-N 3.43Å
469	G	97.4	Very high	95.4	Very high	47 Å²	47	45.9 Å²	45.9	49%	0.485	26%	0.259	S	S	.	.	H	α-helix	trans	-69.6	-44.5	175.3	0	0	0	0	0	112.7	I466 M467 A471 V472 A473	I466-G469 PolarHBondContact O-N 2.84Å; M467-G469 VanDerWaalsContact C-N 3.28Å; M467-G469 PolarHBondContact O-N 2.69Å; G469-A471 VanDerWaalsContact C-N 3.26Å; G469-A471 PolarHBondContact O-N 2.99Å; G469-V472 WeakPolarHBondContact O-CB 3.48Å; G469-V472 PolarHBondContact O-N 3.24Å; G469-V472 VanDerWaalsContact O-N 3.12Å; G469-A473 PolarHBondContact O-N 3.12Å; G469-A473 VanDerWaalsContact O-N 3.11Å
470	F	97.1	Very high	95.7	Very high	30 Å²	30	45.2 Å²	45.2	13%	0.132	26%	0.255	C	S	.	.	H	α-helix	trans	-64.5	-30.3	176.7	-72	-76.9	0	0	0	112.7	I466 M467 V472 A473 M474 L483 L497	I466-F470 HydrophobicContact CG2-CD2 4.06Å; I466-F470 HydrophobicContact CG2-CE2 3.84Å; I466-F470 WeakPolarHBondContact O-CD2 3.37Å; M467-F470 PolarHBondContact O-N 2.61Å; M467-F470 HydrophobicContact SD-CB 4.33Å; F470-V472 VanDerWaalsContact C-N 3.34Å; F470-V472 PolarHBondContact O-N 2.9Å; F470-A473 PolarHBondContact O-N 2.8Å; F470-M474 WeakPolarHBondContact O-CB 3.41Å; F470-M474 WeakPolarHBondContact O-CG 3.29Å; F470-M474 PolarHBondContact O-N 3.45Å; F470-L483 HydrophobicContact CD1-CD1 4.29Å; F470-L483 HydrophobicContact CE1-CD1 3.61Å; F470-L497 HydrophobicContact CD2-CD1 3.72Å; F470-L497 HydrophobicContact CE1-CB 4.18Å; F470-L497 HydrophobicContact CE1-CD1 4.27Å; F470-L497 HydrophobicContact CE2-CB 4.26Å; F470-L497 HydrophobicContact CE2-CD1 3.24Å; F470-L497 HydrophobicContact CE2-CG 4.36Å; F470-L497 HydrophobicContact CG-CD1 4.43Å; F470-L497 HydrophobicContact CZ-CB 3.67Å; F470-L497 HydrophobicContact CZ-CD1 3.56Å; F470-L497 HydrophobicContact CZ-CG 4.24Å
471	A	96.2	Very high	96.1	Very high	5 Å²	5	50.8 Å²	50.8	4%	0.041	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-42.5	172.7	0	0	0	0	0	111.8	P389 V401 M467 G469 M474 R475	P389-A471 HydrophobicContact CB-CB 3.84Å; P389-A471 HydrophobicContact CG-CB 3.68Å; V401-A471 HydrophobicContact CB-CB 4.37Å; V401-A471 HydrophobicContact CG1-CB 4.4Å; V401-A471 HydrophobicContact CG2-CB 3.96Å; M467-A471 PolarHBondContact O-N 3.11Å; G469-A471 VanDerWaalsContact C-N 3.26Å; G469-A471 PolarHBondContact O-N 2.99Å; A471-M474 PolarHBondContact O-N 3.4Å; A471-R475 WeakPolarHBondContact O-CG 3.37Å; A471-R475 PolarHBondContact O-N 2.79Å
472	V	97.2	Very high	96.3	Very high	88 Å²	88	54.3 Å²	54.3	53%	0.533	30%	0.299	S	S	.	.	H	α-helix	trans	-63.7	-46.9	174.5	178.9	0	0	0	0	110.6	G469 F470 M474 R475 C476	G469-V472 WeakPolarHBondContact O-CB 3.48Å; G469-V472 PolarHBondContact O-N 3.24Å; G469-V472 VanDerWaalsContact O-N 3.12Å; F470-V472 VanDerWaalsContact C-N 3.34Å; F470-V472 PolarHBondContact O-N 2.9Å; V472-M474 VanDerWaalsContact C-N 3.3Å; V472-M474 PolarHBondContact O-N 3.38Å; V472-R475 WeakPolarHBondContact O-CB 3.41Å; V472-R475 PolarHBondContact O-N 3.25Å; V472-C476 PolarHBondContact O-N 3.33Å; V472-C476 VanDerWaalsContact O-N 3.16Å; V472-C476 PolarHBondContact O-SG 3.38Å
473	A	97.1	Very high	96.4	Very high	33 Å²	33	49.9 Å²	49.9	27%	0.273	28%	0.275	S	S	.	.	H	α-helix	trans	-58.6	-42.3	177	0	0	0	0	0	111.9	G469 F470 R475 C476 N477 L478	G469-A473 PolarHBondContact O-N 3.12Å; G469-A473 VanDerWaalsContact O-N 3.11Å; F470-A473 PolarHBondContact O-N 2.8Å; A473-R475 VanDerWaalsContact C-N 3.32Å; A473-R475 PolarHBondContact O-N 3.42Å; A473-C476 CarbonylContact O-C 3.56Å; A473-C476 WeakPolarHBondContact O-CA 3.46Å; A473-C476 WeakPolarHBondContact O-CB 3.36Å; A473-C476 PolarHBondContact O-N 3.46Å; A473-N477 PolarHBondContact O-N 2.92Å; A473-L478 HydrophobicContact CB-CB 4.36Å; A473-L478 HydrophobicContact CB-CD1 4.37Å; A473-L478 HydrophobicContact CB-CD2 4.11Å; A473-L478 WeakPolarHBondContact O-CB 3.36Å; A473-L478 PolarHBondContact O-N 3.24Å
474	M	94.9	Very high	96.5	Very high	2 Å²	2	53 Å²	53	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-63.7	-34.1	175	-78.4	-160.9	66.4	0	0	112.8	R387 V401 V453 V456 F470 A471 V472 C476 N477	R387-M474 HydrophobicContact CG-CE 4.27Å; R387-M474 PolarHBondContact NH1-O 3.3Å; V401-M474 HydrophobicContact CB-SD 4.37Å; V401-M474 HydrophobicContact CG1-CG 4.37Å; V401-M474 HydrophobicContact CG1-SD 3.52Å; V401-M474 VanDerWaalsContact CG1-SD 3.52Å; V401-M474 HydrophobicContact CG2-SD 4.28Å; V453-M474 HydrophobicContact CG1-CE 4.31Å; V453-M474 HydrophobicContact CG1-CG 4.44Å; V453-M474 HydrophobicContact CG1-SD 4.17Å; V456-M474 HydrophobicContact CG2-CG 4.5Å; V456-M474 HydrophobicContact CG2-SD 3.87Å; F470-M474 WeakPolarHBondContact O-CB 3.41Å; F470-M474 WeakPolarHBondContact O-CG 3.29Å; F470-M474 PolarHBondContact O-N 3.45Å; A471-M474 PolarHBondContact O-N 3.4Å; V472-M474 VanDerWaalsContact C-N 3.3Å; V472-M474 PolarHBondContact O-N 3.38Å; M474-C476 PolarHBondContact O-N 3.36Å; M474-N477 PolarHBondContact O-N 3.41Å
475	R	93.1	Very high	96.7	Very high	121 Å²	121	55.2 Å²	55.2	46%	0.457	32%	0.315	S	S	.	.	H	α-helix	trans	-63.2	-30.6	170.9	-67	-70.2	-62.8	163.6	1.4	112.1	D384 A471 V472 A473 N477	D384-R475 IonicContact OD1-NH1 3.54Å; D384-R475 PolarHBondContact OD1-NH1 3.4Å; D384-R475 IonicContact OD2-CZ 2.73Å; D384-R475 IonicContact OD2-NH1 3.93Å; D384-R475 PolarHBondContact OD2-NH1 2.89Å; D384-R475 IonicContact OD2-NH2 2.84Å; D384-R475 PolarHBondContact OD2-NH2 2.99Å; A471-R475 WeakPolarHBondContact O-CG 3.37Å; A471-R475 PolarHBondContact O-N 2.79Å; V472-R475 WeakPolarHBondContact O-CB 3.41Å; V472-R475 PolarHBondContact O-N 3.25Å; A473-R475 VanDerWaalsContact C-N 3.32Å; A473-R475 PolarHBondContact O-N 3.42Å; R475-N477 VanDerWaalsContact C-N 3.26Å; R475-N477 PolarHBondContact O-N 3.31Å
476	C	95.7	Very high	96.7	Very high	93 Å²	93	52.9 Å²	52.9	63%	0.628	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	19.1	175.9	-59.5	0	0	0	0	113.9	V472 A473 M474	V472-C476 PolarHBondContact O-N 3.33Å; V472-C476 VanDerWaalsContact O-N 3.16Å; V472-C476 PolarHBondContact O-SG 3.38Å; A473-C476 CarbonylContact O-C 3.56Å; A473-C476 WeakPolarHBondContact O-CA 3.46Å; A473-C476 WeakPolarHBondContact O-CB 3.36Å; A473-C476 PolarHBondContact O-N 3.46Å; M474-C476 PolarHBondContact O-N 3.36Å
477	N	94.3	Very high	96.7	Very high	86 Å²	86	58.3 Å²	58.3	46%	0.46	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	43.7	179.5	-62.4	-42.7	0	0	0	114.7	R387 A473 M474 R475 T479	R387-N477 PolarHBondContact NH1-OD1 2.99Å; A473-N477 PolarHBondContact O-N 2.92Å; M474-N477 PolarHBondContact O-N 3.41Å; R475-N477 VanDerWaalsContact C-N 3.26Å; R475-N477 PolarHBondContact O-N 3.31Å; N477-T479 PolarHBondContact O-N 3.12Å
478	L	97.4	Very high	96.7	Very high	16 Å²	16	59.7 Å²	59.7	8%	0.084	36%	0.357	C	S	.	.			trans	-41.8	126.8	174.5	-178.3	65.7	0	0	0	113.3	V453 A473 Q482 L483	V453-L478 HydrophobicContact CB-CB 4.47Å; V453-L478 HydrophobicContact CB-CD2 4.31Å; V453-L478 HydrophobicContact CB-CG 4.34Å; V453-L478 WeakPolarHBondContact CB-O 3.49Å; V453-L478 HydrophobicContact CG2-CD2 4.03Å; V453-L478 HydrophobicContact CG2-CG 3.93Å; V453-L478 PolarHBondContact N-O 3.11Å; A473-L478 HydrophobicContact CB-CB 4.36Å; A473-L478 HydrophobicContact CB-CD1 4.37Å; A473-L478 HydrophobicContact CB-CD2 4.11Å; A473-L478 WeakPolarHBondContact O-CB 3.36Å; A473-L478 PolarHBondContact O-N 3.24Å; L478-Q482 HydrophobicContact CD1-CB 3.87Å; L478-L483 HydrophobicContact CD1-CB 4.2Å; L478-L483 HydrophobicContact CD2-CB 4.49Å; L478-L483 HydrophobicContact CD2-CD1 4.38Å; L478-L483 HydrophobicContact CG-CB 4.49Å
479	T	98.1	Very high	96.7	Very high	19 Å²	19	60.7 Å²	60.7	12%	0.117	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-101	161.2	168.9	70.2	0	0	0	0	111.4	P450 S451 N477 D481 Q482 L483	P450-T479 HydrophobicContact CB-CG2 4.08Å; S451-T479 CarbonylContact O-C 3.54Å; S451-T479 WeakPolarHBondContact O-CA 3.45Å; N477-T479 PolarHBondContact O-N 3.12Å; T479-D481 VanDerWaalsContact C-N 3.26Å; T479-D481 PolarHBondContact O-N 2.87Å; T479-Q482 PolarHBondContact O-N 3.42Å; T479-Q482 WeakPolarHBondContact OG1-CG 3.42Å; T479-Q482 PolarHBondContact OG1-N 2.83Å; T479-L483 PolarHBondContact O-N 3.21Å
480	V	97.1	Very high	96.6	Very high	5 Å²	5	65.3 Å²	65.3	3%	0.03	37%	0.374	C	S	.	.	H	α-helix	trans	-59.2	-39.2	173.1	176	0	0	0	0	111.2	Y420 C445 S451 V453 Q482 L483 L484	Y420-V480 HydrophobicContact CE2-CG1 4.04Å; Y420-V480 HydrophobicContact CE2-CG2 4.28Å; C445-V480 HydrophobicContact CB-CG2 3.43Å; C445-V480 VanDerWaalsContact CB-CG2 3.43Å; C445-V480 WeakPolarHBondContact SG-CG2 3.41Å; S451-V480 WeakPolarHBondContact O-CG2 3.37Å; S451-V480 PolarHBondContact O-N 2.69Å; V453-V480 HydrophobicContact CG2-CG2 4.35Å; V480-Q482 PolarHBondContact O-N 2.85Å; V480-L483 PolarHBondContact O-N 3.02Å; V480-L484 HydrophobicContact CG1-CD1 3.65Å; V480-L484 HydrophobicContact CG1-CG 4.02Å; V480-L484 WeakPolarHBondContact O-CG 3.04Å; V480-L484 PolarHBondContact O-N 3.29Å
481	D	96.7	Very high	96.5	Very high	116 Å²	116	67.3 Å²	67.3	62%	0.62	39%	0.39	S	S	*	.	H	α-helix	trans	-63.9	-40.5	179.1	-60	-30.4	0	0	0	111.8	T479 G485	T479-D481 VanDerWaalsContact C-N 3.26Å; T479-D481 PolarHBondContact O-N 2.87Å; D481-G485 WeakPolarHBondContact O-CA 3.09Å; D481-G485 PolarHBondContact O-N 2.97Å
482	Q	97.8	Very high	96.6	Very high	103 Å²	103	69.4 Å²	69.4	48%	0.481	40%	0.402	S	S	.	.	H	α-helix	trans	-65.1	-42.6	173.4	-72.4	169.4	-26	0	0	111.5	L478 T479 V480 T486	L478-Q482 HydrophobicContact CD1-CB 3.87Å; T479-Q482 PolarHBondContact O-N 3.42Å; T479-Q482 WeakPolarHBondContact OG1-CG 3.42Å; T479-Q482 PolarHBondContact OG1-N 2.83Å; V480-Q482 PolarHBondContact O-N 2.85Å; Q482-T486 PolarHBondContact O-N 3.45Å; Q482-T486 PolarHBondContact O-OG1 3Å
483	L	97.6	Very high	96.5	Very high	5 Å²	5	66.1 Å²	66.1	3%	0.026	38%	0.382	C	S	.	.	H	α-helix	trans	-62.7	-52.7	179.5	177.8	67.5	0	0	0	111.7	V443 F470 L478 T479 V480 G485 T486 V498	V443-L483 HydrophobicContact CB-CD2 4.44Å; V443-L483 HydrophobicContact CG1-CD2 3.94Å; V443-L483 HydrophobicContact CG2-CD2 3.99Å; F470-L483 HydrophobicContact CD1-CD1 4.29Å; F470-L483 HydrophobicContact CE1-CD1 3.61Å; L478-L483 HydrophobicContact CD1-CB 4.2Å; L478-L483 HydrophobicContact CD2-CB 4.49Å; L478-L483 HydrophobicContact CD2-CD1 4.38Å; L478-L483 HydrophobicContact CG-CB 4.49Å; T479-L483 PolarHBondContact O-N 3.21Å; V480-L483 PolarHBondContact O-N 3.02Å; L483-G485 VanDerWaalsContact C-N 3.34Å; L483-T486 WeakPolarHBondContact O-CB 3.36Å; L483-T486 PolarHBondContact O-N 3.36Å; L483-V498 HydrophobicContact CD1-CG1 3.96Å; L483-V498 WeakPolarHBondContact O-CB 3.43Å; L483-V498 WeakPolarHBondContact O-CG1 3.44Å
484	L	96	Very high	96.4	Very high	65 Å²	65	66 Å²	66	34%	0.34	38%	0.382	S	S	.	.	H	α-helix	trans	-78.4	-19.2	-176.7	-59.9	-176.4	0	0	0	112.9	Y420 V480 T486 L500	Y420-L484 HydrophobicContact CE1-CD1 4.25Å; V480-L484 HydrophobicContact CG1-CD1 3.65Å; V480-L484 HydrophobicContact CG1-CG 4.02Å; V480-L484 WeakPolarHBondContact O-CG 3.04Å; V480-L484 PolarHBondContact O-N 3.29Å; L484-T486 VanDerWaalsContact C-N 3.29Å; L484-L500 HydrophobicContact CD2-CB 4.14Å; L484-L500 WeakPolarHBondContact CD2-O 3.36Å
485	G	96.9	Very high	96.5	Very high	63 Å²	63	66.5 Å²	66.5	65%	0.649	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-8.9	170.4	0	0	0	0	0	114	D481 L483	D481-G485 WeakPolarHBondContact O-CA 3.09Å; D481-G485 PolarHBondContact O-N 2.97Å; L483-G485 VanDerWaalsContact C-N 3.34Å
486	T	97.9	Very high	96.6	Very high	79 Å²	79	62.7 Å²	62.7	49%	0.485	37%	0.371	S	S	.	.	S	Bend	trans	-80.6	130.3	179.9	-63.2	0	0	0	0	111	Q482 L483 L484 V498	Q482-T486 PolarHBondContact O-N 3.45Å; Q482-T486 PolarHBondContact O-OG1 3Å; L483-T486 WeakPolarHBondContact O-CB 3.36Å; L483-T486 PolarHBondContact O-N 3.36Å; L484-T486 VanDerWaalsContact C-N 3.29Å; T486-V498 HydrophobicContact CG2-CG1 4.22Å
487	V	97.7	Very high	96.6	Very high	138 Å²	138	58.2 Å²	58.2	84%	0.836	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-72.3	127.4	175.3	-178.8	0	0	0	0	110.2
488	G	96.2	Very high	96.7	Very high	29 Å²	29	55 Å²	55	30%	0.299	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-76.7	153.2	178.4	0	0	0	0	0	113.9
489	I	97.9	Very high	96.5	Very high	132 Å²	132	58.9 Å²	58.9	68%	0.677	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-91.1	127	170.5	-57.9	173.3	0	0	0	108.3	T492 E495	I489-T492 HydrophobicContact CB-CG2 4.03Å; I489-T492 HydrophobicContact CG2-CG2 3.72Å; I489-T492 WeakPolarHBondContact O-CB 3.28Å; I489-T492 WeakPolarHBondContact O-CG2 3.5Å; I489-T492 PolarHBondContact O-N 3.26Å; I489-T492 PolarHBondContact O-OG1 2.79Å; I489-E495 WeakPolarHBondContact O-CB 3.46Å; I489-E495 VanDerWaalsContact O-CD 3.32Å
490	H	96.7	Very high	96.3	Very high	144 Å²	144	58.2 Å²	58.2	67%	0.667	34%	0.337	S	S	*	.	S	Bend	trans	-121.4	136.9	-173.6	-171	65.8	0	0	0	112.6	E495	H490-E495 WeakPolarHBondContact CB-OE2 3.26Å; H490-E495 IonicContact CE1-OE1 3.77Å; H490-E495 IonicContact CG-OE1 3.73Å; H490-E495 IonicContact CG-OE2 3.58Å; H490-E495 VanDerWaalsContact ND1-CD 3.32Å; H490-E495 IonicContact ND1-OE1 2.83Å; H490-E495 PolarHBondContact ND1-OE1 3.35Å; H490-E495 IonicContact ND1-OE2 3.02Å; H490-E495 PolarHBondContact ND1-OE2 3.24Å
491	P	95.2	Very high	96	Very high	72 Å²	72	66.9 Å²	66.9	47%	0.468	37%	0.374	S	S	.	.	S	Bend	cis	-85.6	125.8	-8.1	32.8	-31.6	0	0	0	112.2	L427 E495	L427-P491 HydrophobicContact CD2-CB 3.8Å; L427-P491 HydrophobicContact CD2-CG 3.69Å; P491-E495 WeakPolarHBondContact CA-OE1 3.37Å
492	T	96.8	Very high	95.9	Very high	49 Å²	49	63.1 Å²	63.1	30%	0.301	36%	0.355	S	S	.	.			trans	-143.7	152.5	173.3	69.6	0	0	0	0	112.1	I489 A494 E495	I489-T492 HydrophobicContact CB-CG2 4.03Å; I489-T492 HydrophobicContact CG2-CG2 3.72Å; I489-T492 WeakPolarHBondContact O-CB 3.28Å; I489-T492 WeakPolarHBondContact O-CG2 3.5Å; I489-T492 PolarHBondContact O-N 3.26Å; I489-T492 PolarHBondContact O-OG1 2.79Å; T492-A494 PolarHBondContact O-N 3.37Å; T492-E495 PolarHBondContact N-OE1 3.35Å; T492-E495 WeakPolarHBondContact O-CG 3.36Å; T492-E495 PolarHBondContact OG1-N 3.02Å
493	C	95	Very high	95.8	Very high	18 Å²	18	59.2 Å²	59.2	12%	0.122	34%	0.338	C	S	.	.	S	Bend	trans	-66.8	-27.1	171.4	-65	0	0	0	0	112.6	F424 Y458 I466 E495	F424-C493 HydrophobicContact CE2-CB 3.86Å; Y458-C493 HydrophobicContact CE2-CB 4.4Å; Y458-C493 VanDerWaalsContact OH-CB 3.25Å; Y458-C493 WeakPolarHBondContact OH-CB 3.47Å; I466-C493 HydrophobicContact CD1-CB 4.03Å; C493-E495 VanDerWaalsContact C-N 3.33Å; C493-E495 PolarHBondContact O-N 2.9Å
494	A	96.5	Very high	95.6	Very high	32 Å²	32	62.8 Å²	62.8	26%	0.264	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-69.9	-29	-176.7	0	0	0	0	0	112.9	I466 T492 E496 L497	I466-A494 HydrophobicContact CD1-CB 4.29Å; I466-A494 HydrophobicContact CG1-CB 4.07Å; I466-A494 HydrophobicContact CG2-CB 4.08Å; T492-A494 PolarHBondContact O-N 3.37Å; A494-E496 PolarHBondContact O-N 3.44Å; A494-L497 PolarHBondContact O-N 3.19Å
495	E	96.7	Very high	95.5	Very high	11 Å²	11	65.2 Å²	65.2	5%	0.051	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-64.6	-23.4	-178.6	80	-170.9	121.2	0	0	113	I489 H490 P491 T492 C493 L497 V498 K499	I489-E495 WeakPolarHBondContact O-CB 3.46Å; I489-E495 VanDerWaalsContact O-CD 3.32Å; H490-E495 WeakPolarHBondContact CB-OE2 3.26Å; H490-E495 IonicContact CE1-OE1 3.77Å; H490-E495 IonicContact CG-OE1 3.73Å; H490-E495 IonicContact CG-OE2 3.58Å; H490-E495 VanDerWaalsContact ND1-CD 3.32Å; H490-E495 IonicContact ND1-OE1 2.83Å; H490-E495 PolarHBondContact ND1-OE1 3.35Å; H490-E495 IonicContact ND1-OE2 3.02Å; H490-E495 PolarHBondContact ND1-OE2 3.24Å; P491-E495 WeakPolarHBondContact CA-OE1 3.37Å; T492-E495 PolarHBondContact N-OE1 3.35Å; T492-E495 WeakPolarHBondContact O-CG 3.36Å; T492-E495 PolarHBondContact OG1-N 3.02Å; C493-E495 VanDerWaalsContact C-N 3.33Å; C493-E495 PolarHBondContact O-N 2.9Å; E495-L497 PolarHBondContact O-N 3.17Å; E495-V498 WeakPolarHBondContact O-CG2 3.13Å; E495-V498 PolarHBondContact O-N 3.11Å; E495-V498 VanDerWaalsContact O-N 3.09Å; E495-K499 HydrophobicContact CG-CD 4.16Å; E495-K499 WeakPolarHBondContact O-CG 3.33Å; E495-K499 PolarHBondContact O-N 2.92Å; E495-K499 VanDerWaalsContact OE2-CE 3.26Å; E495-K499 WeakPolarHBondContact OE2-CE 3.08Å; E495-K499 IonicContact OE2-NZ 3.34Å; E495-K499 PolarHBondContact OE2-NZ 3.07Å
496	E	94.5	Very high	95.4	Very high	41 Å²	41	64.9 Å²	64.9	19%	0.192	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-59.9	-30.6	177.9	-64.4	-60.5	131.7	0	0	112.1	F424 I441 A494 V498 K499	F424-E496 HydrophobicContact CB-CB 4.45Å; F424-E496 HydrophobicContact CB-CG 3.78Å; F424-E496 HydrophobicContact CD2-CG 4.11Å; F424-E496 HydrophobicContact CG-CB 4.46Å; F424-E496 HydrophobicContact CG-CG 3.98Å; I441-E496 HydrophobicContact CD1-CB 3.61Å; I441-E496 WeakPolarHBondContact CD1-O 3.43Å; A494-E496 PolarHBondContact O-N 3.44Å; E496-V498 VanDerWaalsContact C-N 3.34Å; E496-V498 PolarHBondContact O-N 3.24Å; E496-K499 PolarHBondContact O-N 2.94Å
497	L	95	Very high	95.1	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-67.8	-30.4	177.2	-78.7	163.7	0	0	0	113.3	I441 V443 V456 Y458 I466 F470 A494 E495	I441-L497 HydrophobicContact CB-CD2 4.02Å; I441-L497 HydrophobicContact CD1-CD2 4.18Å; I441-L497 HydrophobicContact CD1-CG 4.22Å; I441-L497 HydrophobicContact CG2-CD2 4.21Å; I441-L497 HydrophobicContact CG2-CG 4.29Å; V443-L497 HydrophobicContact CG2-CD2 3.79Å; V456-L497 HydrophobicContact CG1-CD1 4.29Å; V456-L497 HydrophobicContact CG1-CD2 3.75Å; Y458-L497 HydrophobicContact CD2-CD1 4.4Å; I466-L497 HydrophobicContact CG2-CD1 3.95Å; F470-L497 HydrophobicContact CD2-CD1 3.72Å; F470-L497 HydrophobicContact CE1-CB 4.18Å; F470-L497 HydrophobicContact CE1-CD1 4.27Å; F470-L497 HydrophobicContact CE2-CB 4.26Å; F470-L497 HydrophobicContact CE2-CD1 3.24Å; F470-L497 HydrophobicContact CE2-CG 4.36Å; F470-L497 HydrophobicContact CG-CD1 4.43Å; F470-L497 HydrophobicContact CZ-CB 3.67Å; F470-L497 HydrophobicContact CZ-CD1 3.56Å; F470-L497 HydrophobicContact CZ-CG 4.24Å; A494-L497 PolarHBondContact O-N 3.19Å; E495-L497 PolarHBondContact O-N 3.17Å
498	V	96.3	Very high	94.8	Very high	17 Å²	17	65 Å²	65	10%	0.103	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-6.9	177.9	-57.3	0	0	0	0	112.6	L483 T486 E495 E496	L483-V498 HydrophobicContact CD1-CG1 3.96Å; L483-V498 WeakPolarHBondContact O-CB 3.43Å; L483-V498 WeakPolarHBondContact O-CG1 3.44Å; T486-V498 HydrophobicContact CG2-CG1 4.22Å; E495-V498 WeakPolarHBondContact O-CG2 3.13Å; E495-V498 PolarHBondContact O-N 3.11Å; E495-V498 VanDerWaalsContact O-N 3.09Å; E496-V498 VanDerWaalsContact C-N 3.34Å; E496-V498 PolarHBondContact O-N 3.24Å
499	K	93.8	Very high	94.4	Very high	99 Å²	99	67.4 Å²	67.4	43%	0.43	36%	0.36	S	S	.	.	S	Bend	trans	-100.8	5.2	178.6	-71.6	177.4	173.3	179.8	0	114.1	E495 E496 K501	E495-K499 HydrophobicContact CG-CD 4.16Å; E495-K499 WeakPolarHBondContact O-CG 3.33Å; E495-K499 PolarHBondContact O-N 2.92Å; E495-K499 VanDerWaalsContact OE2-CE 3.26Å; E495-K499 WeakPolarHBondContact OE2-CE 3.08Å; E495-K499 IonicContact OE2-NZ 3.34Å; E495-K499 PolarHBondContact OE2-NZ 3.07Å; E496-K499 PolarHBondContact O-N 2.94Å; K499-K501 PolarHBondContact O-N 3.12Å
500	L	94	Very high	93.7	Very high	5 Å²	5	61.9 Å²	61.9	3%	0.026	33%	0.334	C	S	.	.			trans	-60.7	125.1	-176.8	-73.9	174.3	0	0	0	112.6	Y420 H421 A422 I441 V443 L484	Y420-L500 HydrophobicContact CD1-CB 4.39Å; H421-L500 VanDerWaalsContact C-CD2 3.47Å; A422-L500 HydrophobicContact CB-CD2 3.72Å; I441-L500 HydrophobicContact CD1-CD1 4.37Å; I441-L500 HydrophobicContact CD1-CD2 3.56Å; I441-L500 HydrophobicContact CD1-CG 4.01Å; I441-L500 HydrophobicContact CG1-CD2 3.97Å; V443-L500 HydrophobicContact CB-CD1 3.92Å; V443-L500 HydrophobicContact CG2-CD1 3.47Å; V443-L500 VanDerWaalsContact CG2-CD1 3.47Å; L484-L500 HydrophobicContact CD2-CB 4.14Å; L484-L500 WeakPolarHBondContact CD2-O 3.36Å
501	K	91.8	Very high	92.7	Very high	187 Å²	187	58.4 Å²	58.4	81%	0.813	33%	0.327	S	S	*	.			trans	-125.2	-26.4	178	-65.4	179.4	-173.9	178.9	0	114.1	K499	K499-K501 PolarHBondContact O-N 3.12Å
502	V	93.6	Very high	91.3	Very high	36 Å²	36	58.9 Å²	58.9	22%	0.218	33%	0.328	C	S	.	.			trans	-89.8	131.9	-175.9	179.4	0	0	0	0	109.5	Y420 H421 K508	Y420-V502 WeakPolarHBondContact CA-O 3.42Å; H421-V502 PolarHBondContact CD2-O 3.18Å; H421-V502 PolarHBondContact N-O 3.38Å; V502-K508 HydrophobicContact CG1-CB 3.81Å
503	T	95.9	Very high	89.2	Confident	21 Å²	21	62.6 Å²	62.6	13%	0.129	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-107.6	146.9	169.8	69.1	0	0	0	0	110.8	E418 V419 Y420 R505 S506	E418-T503 HydrophobicContact CG-CG2 3.87Å; V419-T503 CarbonylContact O-C 3.52Å; V419-T503 WeakPolarHBondContact O-CA 3.26Å; Y420-T503 HydrophobicContact CD1-CG2 3.81Å; Y420-T503 HydrophobicContact CD2-CG2 4.32Å; Y420-T503 HydrophobicContact CE1-CG2 3.68Å; Y420-T503 HydrophobicContact CE2-CG2 4.19Å; Y420-T503 HydrophobicContact CG-CG2 4.13Å; T503-R505 PolarHBondContact O-N 3.37Å; T503-S506 WeakPolarHBondContact O-CB 3.27Å; T503-S506 PolarHBondContact O-N 2.85Å; T503-S506 PolarHBondContact O-OG 3.45Å; T503-S506 PolarHBondContact OG1-N 3.09Å
504	K	92.6	Very high	87.3	Confident	81 Å²	81	64.8 Å²	64.8	35%	0.352	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-56.7	-39.3	173.6	-77.6	-173.1	167.8	-179.4	0	112.3	E405 V419 S506 G507	E405-K504 WeakPolarHBondContact OE1-CD 3.32Å; E405-K504 IonicContact OE1-NZ 3.73Å; E405-K504 PolarHBondContact OE1-NZ 3.15Å; E405-K504 IonicContact OE2-NZ 3.28Å; E405-K504 PolarHBondContact OE2-NZ 3.42Å; V419-K504 HydrophobicContact CB-CB 4.29Å; V419-K504 HydrophobicContact CB-CD 4Å; V419-K504 HydrophobicContact CB-CG 4.17Å; V419-K504 HydrophobicContact CG1-CD 3.86Å; V419-K504 HydrophobicContact CG1-CG 4.18Å; V419-K504 PolarHBondContact O-N 2.95Å; K504-S506 PolarHBondContact O-N 2.61Å; K504-G507 PolarHBondContact O-N 3.19Å
505	R	94.8	Very high	84.5	Confident	115 Å²	115	73.5 Å²	73.5	43%	0.434	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-60.5	-29.4	178.2	-173	-178.6	-59.9	-79.3	-2.6	112.8	E414 V417 E418 T503 G507	E414-R505 PolarHBondContact O-NH2 2.8Å; V417-R505 PolarHBondContact O-NH2 3.27Å; E418-R505 WeakPolarHBondContact OE1-CB 3.35Å; E418-R505 IonicContact OE1-NE 2.63Å; E418-R505 IonicContact OE2-NE 2.85Å; E418-R505 PolarHBondContact OE2-NE 3.16Å; T503-R505 PolarHBondContact O-N 3.37Å; R505-G507 PolarHBondContact O-N 3.37Å
506	S	94.5	Very high	83.8	Confident	56 Å²	56	76.6 Å²	76.6	39%	0.392	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-70.4	-15.1	177.4	76.8	0	0	0	0	113.9	T503 K504 K508	T503-S506 WeakPolarHBondContact O-CB 3.27Å; T503-S506 PolarHBondContact O-N 2.85Å; T503-S506 PolarHBondContact O-OG 3.45Å; T503-S506 PolarHBondContact OG1-N 3.09Å; K504-S506 PolarHBondContact O-N 2.61Å; S506-K508 PolarHBondContact O-N 3.04Å; S506-K508 VanDerWaalsContact O-N 3.12Å; S506-K508 PolarHBondContact OG-N 3.13Å
507	G	92.3	Very high	83.3	Confident	70 Å²	70	78.5 Å²	78.5	72%	0.722	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	-0.7	-175.8	0	0	0	0	0	115	K504 R505	K504-G507 PolarHBondContact O-N 3.19Å; R505-G507 PolarHBondContact O-N 3.37Å
508	K	91.2	Very high	82.6	Confident	150 Å²	150	82.8 Å²	82.8	65%	0.652	49%	0.491	S	S	*	.			trans	-70.2	151.7	176.9	-64	-179.3	-175.1	-177	0	110.7	V502 S506	V502-K508 HydrophobicContact CG1-CB 3.81Å; S506-K508 PolarHBondContact O-N 3.04Å; S506-K508 VanDerWaalsContact O-N 3.12Å; S506-K508 PolarHBondContact OG-N 3.13Å
509	S	86.5	Confident	81.8	Confident	79 Å²	79	86.7 Å²	86.7	55%	0.552	51%	0.514	S	S	*	.			trans	-65.5	143.2	177.5	-176	0	0	0	0	111.6	S511	S509-S511 WeakPolarHBondContact CB-OG 3.33Å; S509-S511 PolarHBondContact O-N 3.2Å; S509-S511 WeakPolarHBondContact OG-CB 3.43Å; S509-S511 PolarHBondContact OG-N 3.09Å; S509-S511 PolarHBondContact OG-OG 3.39Å
510	A	83.4	Confident	81.1	Confident	16 Å²	16	85.9 Å²	85.9	13%	0.132	52%	0.519	C	S	.	.			trans	-74.9	-13.1	171.7	0	0	0	0	0	112.9	A422 S423 Y440 V512	A422-A510 CarbonylContact C-O 3.6Å; A422-A510 WeakPolarHBondContact CA-O 3.44Å; S423-A510 PolarHBondContact N-O 3.06Å; Y440-A510 HydrophobicContact CE2-CB 3.91Å; A510-V512 PolarHBondContact O-N 3.33Å; A510-V512 VanDerWaalsContact O-N 3.13Å
511	S	77	Confident	80.2	Confident	72 Å²	72	91.3 Å²	91.3	50%	0.503	55%	0.552	S	S	.	*	B	Isolated β-bridge	trans	-61.9	114.9	178.7	56.7	0	0	0	0	110	S509 T513	S509-S511 WeakPolarHBondContact CB-OG 3.33Å; S509-S511 PolarHBondContact O-N 3.2Å; S509-S511 WeakPolarHBondContact OG-CB 3.43Å; S509-S511 PolarHBondContact OG-N 3.09Å; S509-S511 PolarHBondContact OG-OG 3.39Å; S511-T513 PolarHBondContact O-N 3.04Å
512	V	65.3	Low	79.4	Confident	81 Å²	81	84.5 Å²	84.5	49%	0.491	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-66.7	116.7	169.6	176.8	0	0	0	0	107.2	A422 S423 A510 G514	A422-V512 HydrophobicContact CB-CG2 4.07Å; S423-V512 WeakPolarHBondContact O-CB 3.47Å; S423-V512 WeakPolarHBondContact O-CG2 3.38Å; A510-V512 PolarHBondContact O-N 3.33Å; A510-V512 VanDerWaalsContact O-N 3.13Å; V512-G514 PolarHBondContact O-N 3.34Å
513	T	52.3	Low	78.3	Confident	128 Å²	128	88.2 Å²	88.2	79%	0.785	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-61	117.2	160.9	42.6	0	0	0	0	106	S511	S511-T513 PolarHBondContact O-N 3.04Å
514	G	54.8	Low	76.8	Confident	63 Å²	63	93.8 Å²	93.8	65%	0.649	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-51.6	162.7	179.7	0	0	0	0	0	112.1	V512	V512-G514 PolarHBondContact O-N 3.34Å
515	C	37.5	Very low	75.4	Confident	215 Å²	215	95 Å²	95	100%	1.453	62%	0.615	S	S	*	*			trans	-52.3	0	171	-67	0	0	0	0	111.7

Retrieved 515 of 515 residues in 410.2 ms (Link to these results)

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