A0A3Q0KDH6_SCHMA Loading...

proline--tRNA ligase

AlphaFold DB , UniProt , Accession A0A3Q0KDH6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 462 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	44.2	Very low	79.1	Confident	232 Å²	232	82.1 Å²	82.1	100%	1.143	42%	0.421	S	S	*	.				0	113.4	0	-71.7	-179.6	-150.7	0	0	107.1	V3	M1-V3 PolarHBondContact O-N 2.82Å
2	S	54.9	Low	77.5	Confident	50 Å²	50	83.3 Å²	83.3	35%	0.35	44%	0.438	S	S	.	.			trans	-63.4	125.3	166.1	35.8	0	0	0	0	108.4	F4 Q364	S2-F4 PolarHBondContact O-N 3.23Å; S2-Q364 VanDerWaalsContact OG-CD 3.31Å; S2-Q364 PolarHBondContact OG-OE1 2.89Å
3	V	77.3	Confident	75.8	Confident	85 Å²	85	79.8 Å²	79.8	52%	0.515	42%	0.423	S	S	.	.			trans	-93	101.3	173.1	-173.7	0	0	0	0	104.3	M1 P373 G374	M1-V3 PolarHBondContact O-N 2.82Å; V3-P373 HydrophobicContact CB-CB 3.9Å; V3-P373 HydrophobicContact CG1-CB 4.16Å; V3-P373 HydrophobicContact CG2-CB 4.04Å; V3-G374 WeakPolarHBondContact O-CA 3.49Å; V3-G374 PolarHBondContact O-N 3.36Å
4	F	88.1	Confident	74.5	Confident	21 Å²	21	81.4 Å²	81.4	9%	0.092	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-83.1	151.1	155.7	-69.8	-87	0	0	0	107.7	S2 F6 I340 L360 Q364 I376 V378	S2-F4 PolarHBondContact O-N 3.23Å; F4-F6 HydrophobicContact CB-CD2 4.29Å; F4-F6 HydrophobicContact CB-CE2 3.79Å; F4-F6 HydrophobicContact CB-CZ 4.21Å; F4-I340 HydrophobicContact CE1-CD1 4.21Å; F4-L360 HydrophobicContact CD1-CD2 4.23Å; F4-L360 HydrophobicContact CD2-CD2 4.5Å; F4-L360 HydrophobicContact CE1-CD2 3.95Å; F4-L360 HydrophobicContact CE2-CB 3.93Å; F4-L360 HydrophobicContact CE2-CD2 4.24Å; F4-L360 HydrophobicContact CG-CD2 4.5Å; F4-L360 HydrophobicContact CZ-CB 4.04Å; F4-L360 HydrophobicContact CZ-CD2 3.97Å; F4-L360 WeakPolarHBondContact CZ-O 3.29Å; F4-Q364 HydrophobicContact CZ-CB 4.34Å; F4-I376 HydrophobicContact CD1-CB 3.79Å; F4-I376 HydrophobicContact CD1-CG2 3.82Å; F4-I376 HydrophobicContact CE1-CB 3.94Å; F4-I376 HydrophobicContact CE1-CD1 4.03Å; F4-I376 HydrophobicContact CE1-CG2 3.85Å; F4-V378 HydrophobicContact CB-CG2 3.98Å; F4-V378 HydrophobicContact CD1-CG2 3.89Å; F4-V378 HydrophobicContact CG-CG2 4.15Å
5	T	90.8	Very high	73.7	Confident	25 Å²	25	77.9 Å²	77.9	15%	0.153	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	118.2	166.3	-57.7	0	0	0	0	107.8	Y336 G374 I376 L377 V378	T5-Y336 HydrophobicContact CG2-CE1 4.18Å; T5-G374 WeakPolarHBondContact OG1-CA 3.35Å; T5-G374 PolarHBondContact OG1-O 3.06Å; T5-I376 PolarHBondContact N-O 3.36Å; T5-L377 HydrophobicContact CG2-CD1 3.76Å; T5-L377 CarbonylContact O-C 3.59Å; T5-L377 WeakPolarHBondContact O-CA 3.38Å; T5-V378 PolarHBondContact O-N 2.88Å
6	F	92	Very high	73.3	Confident	59 Å²	59	79.1 Å²	79.1	26%	0.259	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.2	174	-69.8	-92.8	0	0	0	109	F4 S8 R9 S10 L360 V378 D380	F4-F6 HydrophobicContact CB-CD2 4.29Å; F4-F6 HydrophobicContact CB-CE2 3.79Å; F4-F6 HydrophobicContact CB-CZ 4.21Å; F6-S8 PolarHBondContact O-N 3.28Å; F6-R9 HydrophobicContact CB-CB 4.36Å; F6-R9 HydrophobicContact CB-CG 4.33Å; F6-R9 CarbonylContact O-C 3.46Å; F6-R9 PolarHBondContact O-N 3.14Å; F6-S10 PolarHBondContact O-N 3.02Å; F6-S10 VanDerWaalsContact O-N 3.09Å; F6-L360 HydrophobicContact CE1-CD1 4.46Å; F6-L360 HydrophobicContact CZ-CD1 4.18Å; F6-V378 HydrophobicContact CD1-CB 3.83Å; F6-V378 HydrophobicContact CD1-CG1 3.95Å; F6-V378 HydrophobicContact CD1-CG2 4.43Å; F6-V378 HydrophobicContact CE1-CB 4Å; F6-V378 HydrophobicContact CE1-CG1 3.92Å; F6-V378 HydrophobicContact CE1-CG2 4.18Å; F6-V378 HydrophobicContact CG-CB 4.46Å; F6-D380 HydrophobicContact CD1-CB 4.31Å
7	L	91.5	Very high	73.2	Confident	6 Å²	6	77.2 Å²	77.2	3%	0.031	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-25.7	-174.5	-167	62.8	0	0	0	112.4	R9 S10 P13 L377 V378 D379 D380 R381	L7-R9 PolarHBondContact O-N 2.65Å; L7-S10 PolarHBondContact O-OG 3.41Å; L7-S10 VanDerWaalsContact O-OG 3.05Å; L7-P13 HydrophobicContact CD1-CG 3.93Å; L7-P13 HydrophobicContact CD2-CG 4.4Å; L7-P13 HydrophobicContact CG-CG 4.21Å; L7-L377 HydrophobicContact CB-CD1 4.25Å; L7-L377 HydrophobicContact CD1-CD1 4.21Å; L7-L377 HydrophobicContact CD1-CD2 4.46Å; L7-V378 WeakPolarHBondContact CB-O 3.43Å; L7-V378 PolarHBondContact N-O 2.95Å; L7-D379 HydrophobicContact CD2-CB 4.28Å; L7-D380 PolarHBondContact N-OD1 2.88Å; L7-R381 HydrophobicContact CB-CG 4.41Å; L7-R381 HydrophobicContact CD2-CG 4.17Å; L7-R381 VanDerWaalsContact CD2-NE 3.25Å; L7-R381 HydrophobicContact CG-CG 4.23Å
8	S	89.5	Confident	72.9	Confident	68 Å²	68	79.6 Å²	79.6	48%	0.476	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.3	171.5	73.3	0	0	0	0	113.7	F6 D380	F6-S8 PolarHBondContact O-N 3.28Å; S8-D380 VanDerWaalsContact CB-OD1 3.24Å; S8-D380 WeakPolarHBondContact CB-OD1 3.32Å; S8-D380 WeakPolarHBondContact CB-OD2 3.34Å; S8-D380 PolarHBondContact N-OD1 2.88Å; S8-D380 PolarHBondContact OG-OD1 2.72Å; S8-D380 PolarHBondContact OG-OD2 2.7Å
9	R	85.9	Confident	72.8	Confident	208 Å²	208	79.2 Å²	79.2	79%	0.785	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-2.2	-177.1	-59.2	-174.8	-178.7	-179.1	-0.1	113.4	F6 L7	F6-R9 HydrophobicContact CB-CB 4.36Å; F6-R9 HydrophobicContact CB-CG 4.33Å; F6-R9 CarbonylContact O-C 3.46Å; F6-R9 PolarHBondContact O-N 3.14Å; L7-R9 PolarHBondContact O-N 2.65Å
10	S	81.4	Confident	72.7	Confident	27 Å²	27	76.9 Å²	76.9	19%	0.189	43%	0.433	C	S	.	.	S	Bend	trans	-83	170.1	172.5	64.5	0	0	0	0	110.5	F6 L7	F6-S10 PolarHBondContact O-N 3.02Å; F6-S10 VanDerWaalsContact O-N 3.09Å; L7-S10 PolarHBondContact O-OG 3.41Å; L7-S10 VanDerWaalsContact O-OG 3.05Å
11	L	75.1	Confident	72.7	Confident	122 Å²	122	78 Å²	78	64%	0.639	44%	0.442	S	S	*	.	S	Bend	trans	-50.4	127.8	164.9	-168.8	74.5	0	0	0	107.7	P13 P49	L11-P13 WeakPolarHBondContact O-CD 3.4Å; L11-P49 HydrophobicContact CB-CG 4.35Å
12	P	59.4	Low	74.3	Confident	96 Å²	96	70.8 Å²	70.8	62%	0.623	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-60.8	124.9	-171	21.1	-31.6	0	0	0	109.4	L14	P12-L14 PolarHBondContact O-N 2.84Å
13	P	55.3	Low	75.8	Confident	38 Å²	38	69.3 Å²	69.3	25%	0.247	40%	0.403	C	S	.	.			trans	-68.5	112.8	179.4	29.4	-36.1	0	0	0	108.6	L7 L11 I15	L7-P13 HydrophobicContact CD1-CG 3.93Å; L7-P13 HydrophobicContact CD2-CG 4.4Å; L7-P13 HydrophobicContact CG-CG 4.21Å; L11-P13 WeakPolarHBondContact O-CD 3.4Å; P13-I15 VanDerWaalsContact C-N 3.27Å; P13-I15 HydrophobicContact CB-CD1 4.29Å; P13-I15 HydrophobicContact CB-CG1 4.01Å; P13-I15 HydrophobicContact CG-CD1 4.14Å; P13-I15 HydrophobicContact CG-CG1 4.38Å; P13-I15 PolarHBondContact O-N 3.32Å
14	L	57.7	Low	76.3	Confident	103 Å²	103	68.6 Å²	68.6	54%	0.539	40%	0.401	S	S	.	.			trans	-73.2	87.1	167.2	-68.5	167.5	0	0	0	107.2	P12 N16 I17 Y34	P12-L14 PolarHBondContact O-N 2.84Å; L14-N16 PolarHBondContact O-N 2.63Å; L14-N16 VanDerWaalsContact O-N 3.13Å; L14-I17 HydrophobicContact CB-CD1 4.14Å; L14-I17 HydrophobicContact CB-CG1 3.56Å; L14-I17 HydrophobicContact CD1-CD1 3.78Å; L14-I17 HydrophobicContact CD1-CG1 3.83Å; L14-I17 HydrophobicContact CG-CG1 4.28Å; L14-Y34 CarbonylContact O-C 3.45Å; L14-Y34 VanDerWaalsContact O-C 3.24Å; L14-Y34 WeakPolarHBondContact O-CA 3.47Å
15	I	62	Low	76.6	Confident	28 Å²	28	67.6 Å²	67.6	14%	0.144	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-6.9	-174.9	-68.5	158.6	0	0	0	112.4	P13 Y34 D392	P13-I15 VanDerWaalsContact C-N 3.27Å; P13-I15 HydrophobicContact CB-CD1 4.29Å; P13-I15 HydrophobicContact CB-CG1 4.01Å; P13-I15 HydrophobicContact CG-CD1 4.14Å; P13-I15 HydrophobicContact CG-CG1 4.38Å; P13-I15 PolarHBondContact O-N 3.32Å; I15-Y34 WeakPolarHBondContact O-CD1 3.23Å; I15-Y34 WeakPolarHBondContact O-CE1 3.19Å; I15-D392 HydrophobicContact CD1-CB 4.15Å; I15-D392 WeakPolarHBondContact CD1-OD2 3.27Å
16	N	68.4	Low	76.9	Confident	97 Å²	97	66.4 Å²	66.4	52%	0.519	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.8	88.4	170.1	-78.6	-40.9	0	0	0	109	L14 P18 L33	L14-N16 PolarHBondContact O-N 2.63Å; L14-N16 VanDerWaalsContact O-N 3.13Å; N16-P18 VanDerWaalsContact O-CD 3.25Å; N16-P18 WeakPolarHBondContact O-CD 3.12Å; N16-L33 WeakPolarHBondContact CA-O 3.41Å
17	I	71.9	Confident	77.1	Confident	47 Å²	47	63.7 Å²	63.7	24%	0.241	38%	0.377	C	S	.	.			trans	-65.8	119.9	168.7	-62.1	-173.1	0	0	0	108.5	L14 V20 R32 L33	L14-I17 HydrophobicContact CB-CD1 4.14Å; L14-I17 HydrophobicContact CB-CG1 3.56Å; L14-I17 HydrophobicContact CD1-CD1 3.78Å; L14-I17 HydrophobicContact CD1-CG1 3.83Å; L14-I17 HydrophobicContact CG-CG1 4.28Å; I17-V20 HydrophobicContact CB-CG2 4.29Å; I17-V20 HydrophobicContact CG2-CG2 4.49Å; I17-R32 WeakPolarHBondContact CD1-O 3.35Å; I17-L33 PolarHBondContact N-O 3.03Å; I17-L33 VanDerWaalsContact N-O 3.07Å
18	P	67.2	Low	77.2	Confident	121 Å²	121	64.5 Å²	64.5	79%	0.786	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	145.7	174.8	-20.5	33.1	0	0	0	111.4	N16	N16-P18 VanDerWaalsContact O-CD 3.25Å; N16-P18 WeakPolarHBondContact O-CD 3.12Å
19	G	71.2	Confident	77.4	Confident	71 Å²	71	62.1 Å²	62.1	73%	0.732	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	4.8	174.1	0	0	0	0	0	115.9	T21	G19-T21 PolarHBondContact O-N 3.42Å; G19-T21 VanDerWaalsContact O-N 3.11Å
20	V	70.5	Confident	77.9	Confident	34 Å²	34	52.2 Å²	52.2	21%	0.206	32%	0.324	C	S	.	.			trans	-69.9	106.7	166.6	-179.6	0	0	0	0	108.7	I17 K29 R32	I17-V20 HydrophobicContact CB-CG2 4.29Å; I17-V20 HydrophobicContact CG2-CG2 4.49Å; V20-K29 HydrophobicContact CG1-CG 4.33Å; V20-R32 HydrophobicContact CG1-CB 4.27Å; V20-R32 HydrophobicContact CG2-CB 4.06Å
21	T	72.8	Confident	78.5	Confident	99 Å²	99	51 Å²	51	61%	0.607	32%	0.316	S	S	*	.			trans	-76.2	162	178.9	57.4	0	0	0	0	111.7	G19 T23	G19-T21 PolarHBondContact O-N 3.42Å; G19-T21 VanDerWaalsContact O-N 3.11Å; T21-T23 PolarHBondContact O-N 3.01Å
22	S	77.2	Confident	79.3	Confident	82 Å²	82	49.3 Å²	49.3	57%	0.573	30%	0.301	S	S	*	.			trans	-55.4	136.6	166.6	-174.4	0	0	0	0	109.7	D322	S22-D322 WeakPolarHBondContact CB-OD1 3.43Å; S22-D322 PolarHBondContact OG-OD1 2.66Å; S22-D322 PolarHBondContact OG-OD2 3.25Å
23	T	86.1	Confident	80.9	Confident	19 Å²	19	46.2 Å²	46.2	12%	0.117	28%	0.279	C	S	.	.			trans	-139	145	176.9	169	0	0	0	0	107.9	T21 C25 Q28 K29	T21-T23 PolarHBondContact O-N 3.01Å; T23-C25 WeakPolarHBondContact CG2-O 3.04Å; T23-C25 PolarHBondContact O-N 3.34Å; T23-C25 VanDerWaalsContact O-N 3.15Å; T23-C25 PolarHBondContact OG1-N 3.43Å; T23-Q28 PolarHBondContact OG1-OE1 2.99Å; T23-Q28 VanDerWaalsContact OG1-OE1 3.05Å; T23-K29 HydrophobicContact CG2-CB 3.55Å; T23-K29 HydrophobicContact CG2-CG 4.12Å
24	P	88.7	Confident	82.6	Confident	70 Å²	70	44.7 Å²	44.7	46%	0.455	27%	0.268	S	S	.	.	S	Bend	trans	-65.2	-13.2	177.6	27.5	-36.7	0	0	0	113.7	I221 K321	P24-I221 HydrophobicContact CB-CG2 4.13Å; P24-I221 VanDerWaalsContact O-CG2 3.23Å; P24-I221 WeakPolarHBondContact O-CG2 3.43Å; P24-K321 VanDerWaalsContact O-CD 3.29Å; P24-K321 WeakPolarHBondContact O-CD 3.34Å; P24-K321 WeakPolarHBondContact O-CE 3.39Å; P24-K321 PolarHBondContact O-NZ 3.13Å
25	C	94.7	Very high	84.2	Confident	0 Å²	0	41 Å²	41	0%	0	26%	0.255	C	S	.	.			trans	-102.1	109.1	179.5	176.4	0	0	0	0	111.1	T23 S27 Q28 K29 H152 I221 E309	T23-C25 WeakPolarHBondContact CG2-O 3.04Å; T23-C25 PolarHBondContact O-N 3.34Å; T23-C25 VanDerWaalsContact O-N 3.15Å; T23-C25 PolarHBondContact OG1-N 3.43Å; C25-S27 PolarHBondContact SG-OG 3.17Å; C25-Q28 HydrophobicContact CB-CB 4Å; C25-Q28 PolarHBondContact O-N 3.13Å; C25-Q28 VanDerWaalsContact SG-CB 3.59Å; C25-K29 PolarHBondContact O-N 3.44Å; C25-H152 HydrophobicContact CB-CB 3.99Å; C25-I221 HydrophobicContact CB-CD1 3.91Å; C25-I221 HydrophobicContact CB-CG2 4.35Å; C25-E309 PolarHBondContact SG-OE2 2.96Å
26	V	95.8	Very high	85.7	Confident	0 Å²	0	40 Å²	40	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-67.1	-41	-175.1	176	0	0	0	0	111.8	K29 L30 E309 T312 K321 I324	V26-K29 WeakPolarHBondContact O-CB 3.33Å; V26-K29 PolarHBondContact O-N 3.05Å; V26-L30 HydrophobicContact CG1-CD1 3.82Å; V26-L30 HydrophobicContact CG1-CG 4.2Å; V26-L30 WeakPolarHBondContact O-CG 3.36Å; V26-L30 PolarHBondContact O-N 3.3Å; V26-E309 PolarHBondContact N-OE1 3.38Å; V26-E309 VanDerWaalsContact N-OE1 3.13Å; V26-E309 PolarHBondContact N-OE2 2.83Å; V26-T312 HydrophobicContact CG1-CG2 3.73Å; V26-K321 HydrophobicContact CG2-CB 3.77Å; V26-K321 HydrophobicContact CG2-CD 4.3Å; V26-K321 HydrophobicContact CG2-CG 3.77Å; V26-I324 HydrophobicContact CG1-CB 4.27Å; V26-I324 HydrophobicContact CG1-CD1 4.42Å; V26-I324 HydrophobicContact CG1-CG2 3.95Å
27	S	96.4	Very high	86.9	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.007	23%	0.226	C	C	.	.	H	α-helix	trans	-58.5	-50.7	176.6	55.9	0	0	0	0	111	C25 K29 L30 L31 A305 E309	C25-S27 PolarHBondContact SG-OG 3.17Å; S27-K29 VanDerWaalsContact C-N 3.33Å; S27-K29 PolarHBondContact O-N 3.26Å; S27-L30 PolarHBondContact O-N 3.44Å; S27-L31 VanDerWaalsContact O-CB 3.3Å; S27-L31 WeakPolarHBondContact O-CB 3.38Å; S27-L31 WeakPolarHBondContact O-CG 3.44Å; S27-L31 PolarHBondContact O-N 2.92Å; S27-A305 PolarHBondContact OG-O 3Å; S27-E309 WeakPolarHBondContact CB-OE2 3.17Å; S27-E309 PolarHBondContact N-OE2 3.23Å; S27-E309 PolarHBondContact OG-OE2 2.88Å
28	Q	94.9	Very high	87.8	Confident	24 Å²	24	39.3 Å²	39.3	11%	0.112	24%	0.241	C	C	.	.	H	α-helix	trans	-56.5	-46.2	174.7	-176.8	-170.2	21.1	0	0	111.7	T23 C25 L30 R32 G153	T23-Q28 PolarHBondContact OG1-OE1 2.99Å; T23-Q28 VanDerWaalsContact OG1-OE1 3.05Å; C25-Q28 HydrophobicContact CB-CB 4Å; C25-Q28 PolarHBondContact O-N 3.13Å; C25-Q28 VanDerWaalsContact SG-CB 3.59Å; Q28-L30 PolarHBondContact O-N 2.97Å; Q28-R32 WeakPolarHBondContact O-CB 3.41Å; Q28-R32 VanDerWaalsContact O-CG 3.32Å; Q28-R32 WeakPolarHBondContact O-CG 3.29Å; Q28-R32 PolarHBondContact O-N 2.98Å; Q28-R32 VanDerWaalsContact O-N 3.13Å; Q28-G153 VanDerWaalsContact CD-N 3.29Å
29	K	93.7	Very high	88.8	Confident	18 Å²	18	35 Å²	35	8%	0.078	21%	0.214	C	C	.	.	H	α-helix	trans	-55.4	-54.3	179.2	-167.9	-169.2	70.9	169.3	0	110.9	V20 T23 C25 V26 S27 R32 L33 K321 D322 I324	V20-K29 HydrophobicContact CG1-CG 4.33Å; T23-K29 HydrophobicContact CG2-CB 3.55Å; T23-K29 HydrophobicContact CG2-CG 4.12Å; C25-K29 PolarHBondContact O-N 3.44Å; V26-K29 WeakPolarHBondContact O-CB 3.33Å; V26-K29 PolarHBondContact O-N 3.05Å; S27-K29 VanDerWaalsContact C-N 3.33Å; S27-K29 PolarHBondContact O-N 3.26Å; K29-R32 PolarHBondContact O-N 3.12Å; K29-L33 WeakPolarHBondContact O-CB 3.44Å; K29-L33 PolarHBondContact O-N 3.27Å; K29-K321 PolarHBondContact NZ-O 3.26Å; K29-D322 PolarHBondContact NZ-O 3.43Å; K29-I324 PolarHBondContact NZ-O 2.94Å
30	L	95	Very high	89.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-71.9	-41.1	-173.3	-66.3	179.1	0	0	0	112.5	V26 S27 Q28 R32 L33 Y34 T312 I324 L327	V26-L30 HydrophobicContact CG1-CD1 3.82Å; V26-L30 HydrophobicContact CG1-CG 4.2Å; V26-L30 WeakPolarHBondContact O-CG 3.36Å; V26-L30 PolarHBondContact O-N 3.3Å; S27-L30 PolarHBondContact O-N 3.44Å; Q28-L30 PolarHBondContact O-N 2.97Å; L30-R32 VanDerWaalsContact C-N 3.26Å; L30-R32 PolarHBondContact O-N 3.1Å; L30-L33 HydrophobicContact CD2-CD2 4.34Å; L30-L33 PolarHBondContact O-N 3.29Å; L30-Y34 HydrophobicContact CB-CE2 4.39Å; L30-Y34 HydrophobicContact CD2-CE2 4.07Å; L30-Y34 WeakPolarHBondContact O-CD2 3.41Å; L30-Y34 PolarHBondContact O-N 2.82Å; L30-T312 HydrophobicContact CD1-CG2 4.06Å; L30-I324 HydrophobicContact CD1-CG2 4.03Å; L30-L327 HydrophobicContact CB-CD1 4.47Å; L30-L327 HydrophobicContact CB-CD2 3.52Å; L30-L327 HydrophobicContact CB-CG 3.89Å; L30-L327 HydrophobicContact CD1-CD2 3.81Å; L30-L327 HydrophobicContact CD1-CG 4.03Å; L30-L327 HydrophobicContact CG-CD2 4.34Å
31	L	95.1	Very high	90.1	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-37.8	176.2	-70	176.8	0	0	0	111.5	S27 G35 L36 I37 V51 L154 I308 L327 W329	S27-L31 VanDerWaalsContact O-CB 3.3Å; S27-L31 WeakPolarHBondContact O-CB 3.38Å; S27-L31 WeakPolarHBondContact O-CG 3.44Å; S27-L31 PolarHBondContact O-N 2.92Å; L31-G35 PolarHBondContact O-N 3.33Å; L31-L36 HydrophobicContact CD2-CB 4.09Å; L31-L36 HydrophobicContact CD2-CD1 3.92Å; L31-L36 WeakPolarHBondContact O-CA 3.09Å; L31-L36 WeakPolarHBondContact O-CB 3.42Å; L31-L36 PolarHBondContact O-N 3.26Å; L31-I37 HydrophobicContact CB-CD1 3.75Å; L31-I37 HydrophobicContact CB-CG1 3.8Å; L31-I37 HydrophobicContact CB-CG2 4.24Å; L31-I37 HydrophobicContact CD1-CD1 4.22Å; L31-I37 HydrophobicContact CD1-CG2 4.37Å; L31-I37 PolarHBondContact O-N 3.33Å; L31-V51 HydrophobicContact CD2-CG2 3.67Å; L31-L154 HydrophobicContact CD1-CD1 4.26Å; L31-I308 HydrophobicContact CD1-CD1 4.16Å; L31-I308 HydrophobicContact CD2-CD1 4.16Å; L31-L327 HydrophobicContact CD2-CD1 4.41Å; L31-L327 HydrophobicContact CD2-CD2 4.43Å; L31-W329 HydrophobicContact CD2-CH2 3.86Å; L31-W329 HydrophobicContact CD2-CZ2 4.39Å
32	R	92.2	Very high	90.9	Very high	86 Å²	86	38.6 Å²	38.6	33%	0.325	22%	0.219	S	C	.	.	H	α-helix	trans	-76.1	-43.7	174.7	-68.9	-179.6	71.3	-166.8	2.7	112.5	I17 V20 Q28 K29 L30 Y34 G35 I37	I17-R32 WeakPolarHBondContact CD1-O 3.35Å; V20-R32 HydrophobicContact CG1-CB 4.27Å; V20-R32 HydrophobicContact CG2-CB 4.06Å; Q28-R32 WeakPolarHBondContact O-CB 3.41Å; Q28-R32 VanDerWaalsContact O-CG 3.32Å; Q28-R32 WeakPolarHBondContact O-CG 3.29Å; Q28-R32 PolarHBondContact O-N 2.98Å; Q28-R32 VanDerWaalsContact O-N 3.13Å; K29-R32 PolarHBondContact O-N 3.12Å; L30-R32 VanDerWaalsContact C-N 3.26Å; L30-R32 PolarHBondContact O-N 3.1Å; R32-Y34 PolarHBondContact O-N 3.03Å; R32-G35 PolarHBondContact O-N 3.21Å; R32-I37 HydrophobicContact CG-CD1 4.02Å; R32-I37 HydrophobicContact CG-CG1 3.78Å
33	L	91.1	Very high	91.6	Very high	32 Å²	32	34.7 Å²	34.7	17%	0.168	19%	0.192	C	C	.	.	H	α-helix	trans	-56	-38.2	-179	-179.1	63.7	0	0	0	111.7	N16 I17 K29 L30	N16-L33 WeakPolarHBondContact CA-O 3.41Å; I17-L33 PolarHBondContact N-O 3.03Å; I17-L33 VanDerWaalsContact N-O 3.07Å; K29-L33 WeakPolarHBondContact O-CB 3.44Å; K29-L33 PolarHBondContact O-N 3.27Å; L30-L33 HydrophobicContact CD2-CD2 4.34Å; L30-L33 PolarHBondContact O-N 3.29Å
34	Y	92.2	Very high	92.1	Very high	6 Å²	6	35.9 Å²	35.9	2%	0.024	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	9.3	179.7	-57.7	-37.4	0	0	0	114.5	L14 I15 L30 R32 L36 T325 L327 R395	L14-Y34 CarbonylContact O-C 3.45Å; L14-Y34 VanDerWaalsContact O-C 3.24Å; L14-Y34 WeakPolarHBondContact O-CA 3.47Å; I15-Y34 WeakPolarHBondContact O-CD1 3.23Å; I15-Y34 WeakPolarHBondContact O-CE1 3.19Å; L30-Y34 HydrophobicContact CB-CE2 4.39Å; L30-Y34 HydrophobicContact CD2-CE2 4.07Å; L30-Y34 WeakPolarHBondContact O-CD2 3.41Å; L30-Y34 PolarHBondContact O-N 2.82Å; R32-Y34 PolarHBondContact O-N 3.03Å; Y34-L36 WeakPolarHBondContact O-CD2 3.36Å; Y34-L36 PolarHBondContact O-N 2.95Å; Y34-T325 WeakPolarHBondContact CE2-O 3.49Å; Y34-T325 VanDerWaalsContact CZ-O 3.32Å; Y34-T325 PolarHBondContact OH-O 3.45Å; Y34-L327 HydrophobicContact CD2-CD1 4.05Å; Y34-R395 HydrophobicContact CE1-CB 4.34Å; Y34-R395 HydrophobicContact CE2-CB 3.89Å; Y34-R395 WeakPolarHBondContact OH-CD 3.34Å; Y34-R395 WeakPolarHBondContact OH-CG 3.47Å
35	G	90.7	Very high	92.4	Very high	26 Å²	26	34.2 Å²	34.2	27%	0.268	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	22.2	177.3	0	0	0	0	0	114.8	L31 R32	L31-G35 PolarHBondContact O-N 3.33Å; R32-G35 PolarHBondContact O-N 3.21Å
36	L	93.6	Very high	92.4	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	21%	0.206	C	C	.	.	S	Bend	trans	-80.7	-23.4	-179.5	-47.9	-175.2	0	0	0	112	L31 Y34 G48 E50 V51 L327 W329 L396	L31-L36 HydrophobicContact CD2-CB 4.09Å; L31-L36 HydrophobicContact CD2-CD1 3.92Å; L31-L36 WeakPolarHBondContact O-CA 3.09Å; L31-L36 WeakPolarHBondContact O-CB 3.42Å; L31-L36 PolarHBondContact O-N 3.26Å; Y34-L36 WeakPolarHBondContact O-CD2 3.36Å; Y34-L36 PolarHBondContact O-N 2.95Å; L36-G48 WeakPolarHBondContact O-CA 3.39Å; L36-G48 PolarHBondContact O-N 3.1Å; L36-E50 HydrophobicContact CD2-CB 4.03Å; L36-E50 HydrophobicContact CD2-CG 4Å; L36-V51 HydrophobicContact CB-CG2 3.64Å; L36-V51 WeakPolarHBondContact O-CG2 3.25Å; L36-L327 HydrophobicContact CD1-CD1 3.63Å; L36-W329 HydrophobicContact CD1-CZ2 4.28Å; L36-L396 HydrophobicContact CD1-CD2 4.14Å; L36-L396 HydrophobicContact CD2-CD2 3.97Å
37	I	93.5	Very high	92.3	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.015	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.8	165.4	69.1	-177.9	0	0	0	109.9	L31 R32 Y45 A46 F47 V51 L154	L31-I37 HydrophobicContact CB-CD1 3.75Å; L31-I37 HydrophobicContact CB-CG1 3.8Å; L31-I37 HydrophobicContact CB-CG2 4.24Å; L31-I37 HydrophobicContact CD1-CD1 4.22Å; L31-I37 HydrophobicContact CD1-CG2 4.37Å; L31-I37 PolarHBondContact O-N 3.33Å; R32-I37 HydrophobicContact CG-CD1 4.02Å; R32-I37 HydrophobicContact CG-CG1 3.78Å; I37-Y45 HydrophobicContact CD1-CD1 4.08Å; I37-Y45 HydrophobicContact CD1-CE1 4.31Å; I37-Y45 HydrophobicContact CG1-CD1 4.46Å; I37-A46 WeakPolarHBondContact CA-O 3.35Å; I37-F47 HydrophobicContact CG2-CD1 4.05Å; I37-V51 HydrophobicContact CG2-CB 4.41Å; I37-V51 HydrophobicContact CG2-CG1 4.19Å; I37-V51 HydrophobicContact CG2-CG2 3.97Å; I37-L154 HydrophobicContact CD1-CD2 4.25Å; I37-L154 HydrophobicContact CD1-CG 4.4Å; I37-L154 HydrophobicContact CG2-CD1 4.4Å
38	F	91	Very high	92.2	Very high	128 Å²	128	40.3 Å²	40.3	56%	0.561	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.1	150.8	174	174.9	-95	0	0	0	109.9	D40 Y45 A46	F38-D40 HydrophobicContact CE1-CB 3.98Å; F38-D40 HydrophobicContact CZ-CB 4.26Å; F38-Y45 CarbonylContact O-C 3.43Å; F38-Y45 VanDerWaalsContact O-CA 3.25Å; F38-Y45 WeakPolarHBondContact O-CA 3.38Å; F38-A46 HydrophobicContact CB-CB 4.33Å; F38-A46 PolarHBondContact N-O 3.17Å; F38-A46 PolarHBondContact O-N 2.88Å
39	S	89	Confident	92	Very high	30 Å²	30	41.6 Å²	41.6	21%	0.21	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	125.7	177.9	177.1	0	0	0	0	108.5	S41 V44	S39-S41 PolarHBondContact OG-O 2.87Å; S39-V44 WeakPolarHBondContact CB-O 3.24Å; S39-V44 PolarHBondContact OG-O 2.93Å
40	D	83.2	Confident	92	Very high	140 Å²	140	41.4 Å²	41.4	75%	0.749	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	-15.3	170.7	61.6	-12.1	0	0	0	112.2	F38	F38-D40 HydrophobicContact CE1-CB 3.98Å; F38-D40 HydrophobicContact CZ-CB 4.26Å
41	S	85.5	Confident	92	Very high	54 Å²	54	41.4 Å²	41.4	38%	0.378	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	135.1	-179.3	-178.3	0	0	0	0	111	S39 G43 V44	S39-S41 PolarHBondContact OG-O 2.87Å; S41-G43 PolarHBondContact O-N 2.89Å; S41-V44 PolarHBondContact O-N 3.33Å; S41-V44 VanDerWaalsContact O-N 3.1Å
42	T	88.8	Confident	92	Very high	86 Å²	86	45.2 Å²	45.2	53%	0.528	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	124.2	-178.7	-55.5	0	0	0	0	111.7	P150 R158	T42-P150 HydrophobicContact CG2-CB 3.89Å; T42-P150 HydrophobicContact CG2-CG 3.92Å; T42-R158 WeakPolarHBondContact O-CD 3.48Å; T42-R158 PolarHBondContact O-NH1 2.74Å
43	G	93.2	Very high	92.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	4	177.4	0	0	0	0	0	115.6	S41 P150 G157 R158 E159	S41-G43 PolarHBondContact O-N 2.89Å; G43-P150 VanDerWaalsContact CA-CB 3.45Å; G43-G157 CarbonylContact O-C 3.59Å; G43-G157 WeakPolarHBondContact O-CA 3.09Å; G43-R158 PolarHBondContact O-N 2.64Å; G43-E159 PolarHBondContact O-N 2.99Å
44	V	95.2	Very high	92.4	Very high	43 Å²	43	41 Å²	41	26%	0.261	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.2	175.2	-175.2	0	0	0	0	108.9	S39 S41 R158	S39-V44 WeakPolarHBondContact CB-O 3.24Å; S39-V44 PolarHBondContact OG-O 2.93Å; S41-V44 PolarHBondContact O-N 3.33Å; S41-V44 VanDerWaalsContact O-N 3.1Å; V44-R158 HydrophobicContact CG2-CB 4.25Å
45	Y	95.1	Very high	92.6	Very high	36 Å²	36	40.8 Å²	40.8	14%	0.141	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	134.8	-171	-62.9	-85.2	0	0	0	112	I37 F38 G153 L154	I37-Y45 HydrophobicContact CD1-CD1 4.08Å; I37-Y45 HydrophobicContact CD1-CE1 4.31Å; I37-Y45 HydrophobicContact CG1-CD1 4.46Å; F38-Y45 CarbonylContact O-C 3.43Å; F38-Y45 VanDerWaalsContact O-CA 3.25Å; F38-Y45 WeakPolarHBondContact O-CA 3.38Å; Y45-G153 VanDerWaalsContact CE2-O 3.28Å; Y45-G153 WeakPolarHBondContact CE2-O 3.46Å; Y45-G153 WeakPolarHBondContact OH-CA 3.25Å; Y45-L154 HydrophobicContact CD1-CD2 4.12Å; Y45-L154 HydrophobicContact CD2-CD2 3.59Å; Y45-L154 HydrophobicContact CE2-CD2 4.18Å; Y45-L154 HydrophobicContact CG-CD2 3.58Å
46	A	94.3	Very high	92.8	Very high	56 Å²	56	46.1 Å²	46.1	46%	0.463	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	135	160.9	0	0	0	0	0	109.6	I37 F38	I37-A46 WeakPolarHBondContact CA-O 3.35Å; F38-A46 HydrophobicContact CB-CB 4.33Å; F38-A46 PolarHBondContact N-O 3.17Å; F38-A46 PolarHBondContact O-N 2.88Å
47	F	95	Very high	92.9	Very high	60 Å²	60	46.4 Å²	46.4	26%	0.263	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	120.5	176.7	-58	-53.9	0	0	0	110.6	I37 V51 L52 L55 L154 L161	I37-F47 HydrophobicContact CG2-CD1 4.05Å; F47-V51 HydrophobicContact CB-CB 4.47Å; F47-V51 HydrophobicContact CB-CG1 4.09Å; F47-V51 HydrophobicContact CD1-CG1 3.53Å; F47-V51 HydrophobicContact CE1-CG1 4.27Å; F47-V51 HydrophobicContact CG-CG1 4.04Å; F47-L52 HydrophobicContact CB-CB 4.39Å; F47-L55 HydrophobicContact CB-CD1 4.48Å; F47-L55 HydrophobicContact CD1-CD1 4.14Å; F47-L55 HydrophobicContact CD2-CD1 3.66Å; F47-L55 HydrophobicContact CE1-CD1 4.28Å; F47-L55 HydrophobicContact CE2-CD1 3.83Å; F47-L55 HydrophobicContact CG-CD1 3.83Å; F47-L55 HydrophobicContact CZ-CD1 4.14Å; F47-L154 HydrophobicContact CE1-CD1 3.83Å; F47-L154 HydrophobicContact CE1-CD2 3.67Å; F47-L154 HydrophobicContact CE1-CG 4.39Å; F47-L154 HydrophobicContact CZ-CD2 4.33Å; F47-L161 HydrophobicContact CE2-CD1 4.44Å
48	G	93.1	Very high	93.1	Very high	12 Å²	12	46.2 Å²	46.2	12%	0.124	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-68.3	170.7	170.7	0	0	0	0	0	112.1	L36 E50 V51 L52	L36-G48 WeakPolarHBondContact O-CA 3.39Å; L36-G48 PolarHBondContact O-N 3.1Å; G48-E50 VanDerWaalsContact C-N 3.31Å; G48-E50 PolarHBondContact O-N 3.47Å; G48-V51 PolarHBondContact O-N 3.02Å; G48-L52 WeakPolarHBondContact O-CB 3.05Å; G48-L52 PolarHBondContact O-N 2.88Å
49	P	91.8	Very high	93.4	Very high	51 Å²	51	41.9 Å²	41.9	33%	0.331	23%	0.228	S	C	.	.	H	α-helix	trans	-53.2	-44.4	-175.2	-27.2	35.7	0	0	0	113.6	L11 L52 R53	L11-P49 HydrophobicContact CB-CG 4.35Å; P49-L52 PolarHBondContact O-N 3.39Å; P49-R53 WeakPolarHBondContact O-CB 3.22Å; P49-R53 WeakPolarHBondContact O-CG 3.5Å; P49-R53 PolarHBondContact O-N 2.92Å
50	E	93.2	Very high	93.7	Very high	15 Å²	15	42.4 Å²	42.4	7%	0.07	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-50.7	-177.6	-67.9	66.1	-148.4	0	0	111.4	L36 G48 L52 R53 S54 P335 Y336	L36-E50 HydrophobicContact CD2-CB 4.03Å; L36-E50 HydrophobicContact CD2-CG 4Å; G48-E50 VanDerWaalsContact C-N 3.31Å; G48-E50 PolarHBondContact O-N 3.47Å; E50-L52 VanDerWaalsContact C-N 3.35Å; E50-L52 PolarHBondContact O-N 3.47Å; E50-R53 WeakPolarHBondContact O-CB 3.43Å; E50-R53 PolarHBondContact O-N 3.08Å; E50-S54 PolarHBondContact O-N 3.12Å; E50-S54 PolarHBondContact O-OG 2.89Å; E50-S54 VanDerWaalsContact O-OG 3.12Å; E50-P335 HydrophobicContact CB-CB 3.72Å; E50-P335 HydrophobicContact CB-CG 4.24Å; E50-P335 HydrophobicContact CG-CB 4.11Å; E50-P335 HydrophobicContact CG-CG 4.47Å; E50-Y336 HydrophobicContact CG-CE2 4.03Å; E50-Y336 PolarHBondContact OE1-OH 2.78Å
51	V	96	Very high	94.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.5	-41	179.6	168.6	0	0	0	0	110.6	L31 L36 I37 F47 G48 R53 S54 L55 L304 W329	L31-V51 HydrophobicContact CD2-CG2 3.67Å; L36-V51 HydrophobicContact CB-CG2 3.64Å; L36-V51 WeakPolarHBondContact O-CG2 3.25Å; I37-V51 HydrophobicContact CG2-CB 4.41Å; I37-V51 HydrophobicContact CG2-CG1 4.19Å; I37-V51 HydrophobicContact CG2-CG2 3.97Å; F47-V51 HydrophobicContact CB-CB 4.47Å; F47-V51 HydrophobicContact CB-CG1 4.09Å; F47-V51 HydrophobicContact CD1-CG1 3.53Å; F47-V51 HydrophobicContact CE1-CG1 4.27Å; F47-V51 HydrophobicContact CG-CG1 4.04Å; G48-V51 PolarHBondContact O-N 3.02Å; V51-R53 VanDerWaalsContact C-N 3.33Å; V51-R53 PolarHBondContact O-N 3.31Å; V51-S54 PolarHBondContact O-N 2.81Å; V51-L55 HydrophobicContact CG1-CD1 3.99Å; V51-L55 HydrophobicContact CG1-CG 4.3Å; V51-L55 WeakPolarHBondContact O-CB 3.03Å; V51-L55 WeakPolarHBondContact O-CG 3.42Å; V51-L55 PolarHBondContact O-N 3.46Å; V51-L304 HydrophobicContact CG1-CD2 4.05Å; V51-W329 HydrophobicContact CG2-CH2 4.14Å
52	L	95.2	Very high	94.9	Very high	81 Å²	81	34.3 Å²	34.3	42%	0.424	18%	0.184	S	C	.	.	H	α-helix	trans	-63.1	-39.2	176	-177.1	61	0	0	0	111.8	F47 G48 P49 E50 L55 R56	F47-L52 HydrophobicContact CB-CB 4.39Å; G48-L52 WeakPolarHBondContact O-CB 3.05Å; G48-L52 PolarHBondContact O-N 2.88Å; P49-L52 PolarHBondContact O-N 3.39Å; E50-L52 VanDerWaalsContact C-N 3.35Å; E50-L52 PolarHBondContact O-N 3.47Å; L52-L55 PolarHBondContact O-N 3.37Å; L52-R56 HydrophobicContact CD1-CG 4.47Å; L52-R56 WeakPolarHBondContact O-CB 3.27Å; L52-R56 VanDerWaalsContact O-CG 3.29Å; L52-R56 WeakPolarHBondContact O-CG 3.38Å; L52-R56 PolarHBondContact O-N 2.57Å
53	R	94	Very high	95.3	Very high	30 Å²	30	31.5 Å²	31.5	11%	0.113	17%	0.166	C	C	.	.	H	α-helix	trans	-60.5	-48.1	173.2	-73.7	177.1	76.1	79.9	12.3	110.9	P49 E50 V51 R56 K57 P335 L372 P373 G374 D375	P49-R53 WeakPolarHBondContact O-CB 3.22Å; P49-R53 WeakPolarHBondContact O-CG 3.5Å; P49-R53 PolarHBondContact O-N 2.92Å; E50-R53 WeakPolarHBondContact O-CB 3.43Å; E50-R53 PolarHBondContact O-N 3.08Å; V51-R53 VanDerWaalsContact C-N 3.33Å; V51-R53 PolarHBondContact O-N 3.31Å; R53-R56 PolarHBondContact O-N 3.12Å; R53-K57 WeakPolarHBondContact O-CG 3.39Å; R53-K57 PolarHBondContact O-N 2.92Å; R53-P335 PolarHBondContact NE-O 2.49Å; R53-L372 HydrophobicContact CB-CD1 3.87Å; R53-L372 HydrophobicContact CG-CD1 3.92Å; R53-L372 PolarHBondContact NH2-O 3.4Å; R53-P373 PolarHBondContact NH1-O 2.95Å; R53-G374 PolarHBondContact NH2-O 3Å; R53-D375 IonicContact CZ-OD1 2.61Å; R53-D375 IonicContact NH2-OD1 3.8Å; R53-D375 PolarHBondContact NH2-OD1 2.89Å
54	S	96.2	Very high	95.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-43.5	177.8	-56.6	0	0	0	0	112.2	E50 V51 R56 K57 L58 W329 I333	E50-S54 PolarHBondContact O-N 3.12Å; E50-S54 PolarHBondContact O-OG 2.89Å; E50-S54 VanDerWaalsContact O-OG 3.12Å; V51-S54 PolarHBondContact O-N 2.81Å; S54-R56 PolarHBondContact O-N 3.16Å; S54-K57 PolarHBondContact O-N 3.18Å; S54-L58 PolarHBondContact O-N 2.73Å; S54-W329 WeakPolarHBondContact OG-CZ3 3.26Å; S54-I333 WeakPolarHBondContact CA-O 3.39Å; S54-I333 WeakPolarHBondContact CB-O 3.2Å; S54-I333 PolarHBondContact OG-O 3.15Å
55	L	97.2	Very high	95.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.4	-46.8	174.5	-75.4	170	0	0	0	111.2	F47 V51 L52 K57 L58 E59 L161 I300 L304	F47-L55 HydrophobicContact CB-CD1 4.48Å; F47-L55 HydrophobicContact CD1-CD1 4.14Å; F47-L55 HydrophobicContact CD2-CD1 3.66Å; F47-L55 HydrophobicContact CE1-CD1 4.28Å; F47-L55 HydrophobicContact CE2-CD1 3.83Å; F47-L55 HydrophobicContact CG-CD1 3.83Å; F47-L55 HydrophobicContact CZ-CD1 4.14Å; V51-L55 HydrophobicContact CG1-CD1 3.99Å; V51-L55 HydrophobicContact CG1-CG 4.3Å; V51-L55 WeakPolarHBondContact O-CB 3.03Å; V51-L55 WeakPolarHBondContact O-CG 3.42Å; V51-L55 PolarHBondContact O-N 3.46Å; L52-L55 PolarHBondContact O-N 3.37Å; L55-K57 VanDerWaalsContact C-N 3.33Å; L55-K57 PolarHBondContact O-N 2.71Å; L55-L58 CarbonylContact O-C 3.5Å; L55-L58 WeakPolarHBondContact O-CB 3.31Å; L55-L58 PolarHBondContact O-N 3.48Å; L55-L58 VanDerWaalsContact O-N 3.16Å; L55-E59 WeakPolarHBondContact O-CG 3.29Å; L55-E59 PolarHBondContact O-N 3.07Å; L55-L161 HydrophobicContact CD1-CD1 4.08Å; L55-L161 HydrophobicContact CD2-CD1 4.44Å; L55-I300 HydrophobicContact CD2-CG2 3.99Å; L55-L304 HydrophobicContact CD2-CB 4.19Å; L55-L304 HydrophobicContact CD2-CD2 3.59Å; L55-L304 HydrophobicContact CG-CD2 3.67Å
56	R	95.7	Very high	95.7	Very high	138 Å²	138	31.7 Å²	31.7	52%	0.521	17%	0.169	S	C	.	.	H	α-helix	trans	-63.6	-36.2	178.3	-72.3	-178.8	70.3	-179.9	1.8	113.1	L52 R53 S54 S60 L372	L52-R56 HydrophobicContact CD1-CG 4.47Å; L52-R56 WeakPolarHBondContact O-CB 3.27Å; L52-R56 VanDerWaalsContact O-CG 3.29Å; L52-R56 WeakPolarHBondContact O-CG 3.38Å; L52-R56 PolarHBondContact O-N 2.57Å; R53-R56 PolarHBondContact O-N 3.12Å; S54-R56 PolarHBondContact O-N 3.16Å; R56-S60 WeakPolarHBondContact O-CB 3.45Å; R56-S60 PolarHBondContact O-N 3.21Å; R56-L372 HydrophobicContact CB-CD1 4.22Å; R56-L372 HydrophobicContact CB-CD2 4.42Å; R56-L372 VanDerWaalsContact CZ-CD2 3.45Å
57	K	95.5	Very high	95.9	Very high	11 Å²	11	34 Å²	34	5%	0.048	17%	0.173	C	C	.	.	H	α-helix	trans	-65.7	-43.5	173.3	-69.4	178.9	-177.8	-170.4	0	110.9	R53 S54 L55 S60 L61 I333 A334 L372 D375	R53-K57 WeakPolarHBondContact O-CG 3.39Å; R53-K57 PolarHBondContact O-N 2.92Å; S54-K57 PolarHBondContact O-N 3.18Å; L55-K57 VanDerWaalsContact C-N 3.33Å; L55-K57 PolarHBondContact O-N 2.71Å; K57-S60 WeakPolarHBondContact O-CB 3.44Å; K57-S60 PolarHBondContact O-N 3.26Å; K57-L61 PolarHBondContact O-N 3.42Å; K57-I333 HydrophobicContact CB-CB 4.1Å; K57-I333 HydrophobicContact CB-CG2 4.01Å; K57-A334 WeakPolarHBondContact CD-O 3.3Å; K57-A334 WeakPolarHBondContact CE-O 3.44Å; K57-A334 PolarHBondContact NZ-O 3.27Å; K57-L372 HydrophobicContact CG-CD1 4.37Å; K57-D375 WeakPolarHBondContact CE-OD1 2.97Å; K57-D375 VanDerWaalsContact NZ-CG 3.28Å; K57-D375 IonicContact NZ-OD1 2.58Å; K57-D375 PolarHBondContact NZ-OD1 2.82Å; K57-D375 IonicContact NZ-OD2 3.71Å; K57-D375 PolarHBondContact NZ-OD2 3.37Å; K57-D375 VanDerWaalsContact NZ-OD2 3.08Å
58	L	96.9	Very high	96	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.2	-45	175.6	179.8	57.5	0	0	0	111.9	S54 L55 S60 L61 V62 L193 I300 L303 L304 I333	S54-L58 PolarHBondContact O-N 2.73Å; L55-L58 CarbonylContact O-C 3.5Å; L55-L58 WeakPolarHBondContact O-CB 3.31Å; L55-L58 PolarHBondContact O-N 3.48Å; L55-L58 VanDerWaalsContact O-N 3.16Å; L58-S60 VanDerWaalsContact C-N 3.28Å; L58-S60 PolarHBondContact O-N 3.48Å; L58-L61 WeakPolarHBondContact O-CB 3.32Å; L58-L61 PolarHBondContact O-N 2.66Å; L58-L61 VanDerWaalsContact O-N 3.14Å; L58-V62 HydrophobicContact CD1-CG2 4.49Å; L58-V62 WeakPolarHBondContact O-CG2 3.14Å; L58-V62 PolarHBondContact O-N 2.85Å; L58-L193 HydrophobicContact CD1-CD1 3.9Å; L58-L193 HydrophobicContact CD1-CD2 4.04Å; L58-I300 HydrophobicContact CD2-CG2 3.92Å; L58-I300 WeakPolarHBondContact CD2-O 3.23Å; L58-I300 HydrophobicContact CG-CG2 4.19Å; L58-L303 HydrophobicContact CD1-CD2 4.1Å; L58-L303 HydrophobicContact CD2-CB 4.38Å; L58-L303 HydrophobicContact CD2-CD2 4.24Å; L58-L303 HydrophobicContact CD2-CG 4.29Å; L58-L304 HydrophobicContact CD2-CB 4.12Å; L58-I333 HydrophobicContact CB-CD1 4.31Å; L58-I333 HydrophobicContact CB-CG2 4.3Å; L58-I333 HydrophobicContact CD1-CD1 4.41Å
59	E	97	Very high	96.2	Very high	37 Å²	37	39.1 Å²	39.1	17%	0.173	20%	0.195	C	C	.	.	H	α-helix	trans	-56.2	-43.4	173	-73.8	-176.6	-165.3	0	0	111.4	L55 L61 V62 D63 I140 I300	L55-E59 WeakPolarHBondContact O-CG 3.29Å; L55-E59 PolarHBondContact O-N 3.07Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 3.31Å; E59-V62 CarbonylContact O-C 3.58Å; E59-V62 PolarHBondContact O-N 2.92Å; E59-D63 WeakPolarHBondContact O-CB 3.36Å; E59-D63 PolarHBondContact O-N 3.48Å; E59-I140 HydrophobicContact CB-CD1 4.14Å; E59-I140 HydrophobicContact CG-CD1 4.11Å; E59-I140 HydrophobicContact CG-CG2 4.09Å; E59-I300 HydrophobicContact CG-CG2 4.14Å
60	S	95.3	Very high	96.5	Very high	41 Å²	41	39.2 Å²	39.2	29%	0.287	21%	0.205	S	C	.	.	H	α-helix	trans	-63.6	-37.7	177.1	-179	0	0	0	0	112.8	R56 K57 L58 N64	R56-S60 WeakPolarHBondContact O-CB 3.45Å; R56-S60 PolarHBondContact O-N 3.21Å; K57-S60 WeakPolarHBondContact O-CB 3.44Å; K57-S60 PolarHBondContact O-N 3.26Å; L58-S60 VanDerWaalsContact C-N 3.28Å; L58-S60 PolarHBondContact O-N 3.48Å; S60-N64 PolarHBondContact O-N 2.87Å; S60-N64 PolarHBondContact O-ND2 3.16Å; S60-N64 VanDerWaalsContact O-ND2 3.13Å
61	L	95.5	Very high	96.8	Very high	22 Å²	22	38.7 Å²	38.7	12%	0.115	20%	0.203	C	C	.	.	H	α-helix	trans	-63.8	-43.8	173	-68.2	177.5	0	0	0	111.2	K57 L58 E59 N64 S65 L189 L193 I333 F370	K57-L61 PolarHBondContact O-N 3.42Å; L58-L61 WeakPolarHBondContact O-CB 3.32Å; L58-L61 PolarHBondContact O-N 2.66Å; L58-L61 VanDerWaalsContact O-N 3.14Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 3.31Å; L61-N64 PolarHBondContact O-N 3.34Å; L61-S65 PolarHBondContact O-N 2.93Å; L61-S65 VanDerWaalsContact O-N 3.09Å; L61-S65 PolarHBondContact O-OG 3.17Å; L61-L189 HydrophobicContact CB-CD1 4.15Å; L61-L193 HydrophobicContact CD1-CD2 4.19Å; L61-I333 HydrophobicContact CD1-CG2 3.51Å; L61-I333 HydrophobicContact CG-CG2 4.47Å; L61-F370 HydrophobicContact CD2-CE1 3.68Å; L61-F370 HydrophobicContact CD2-CZ 3.7Å
62	V	98	Very high	96.9	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-65.3	-45	177.9	173.8	0	0	0	0	111.3	L58 E59 N64 S65 M66 I140 Q163 L189 L298 I300	L58-V62 HydrophobicContact CD1-CG2 4.49Å; L58-V62 WeakPolarHBondContact O-CG2 3.14Å; L58-V62 PolarHBondContact O-N 2.85Å; E59-V62 CarbonylContact O-C 3.58Å; E59-V62 PolarHBondContact O-N 2.92Å; V62-N64 VanDerWaalsContact C-N 3.3Å; V62-N64 PolarHBondContact O-N 3.38Å; V62-S65 WeakPolarHBondContact O-CB 3.43Å; V62-S65 PolarHBondContact O-N 2.69Å; V62-S65 VanDerWaalsContact O-N 3.14Å; V62-M66 HydrophobicContact CG1-CG 4.21Å; V62-M66 WeakPolarHBondContact O-CG 3.44Å; V62-M66 PolarHBondContact O-N 3.49Å; V62-I140 HydrophobicContact CB-CD1 4.27Å; V62-I140 HydrophobicContact CG1-CD1 3.98Å; V62-Q163 HydrophobicContact CG1-CB 4.1Å; V62-Q163 HydrophobicContact CG1-CG 3.7Å; V62-L189 HydrophobicContact CG2-CD1 4.45Å; V62-L189 HydrophobicContact CG2-CD2 3.67Å; V62-L298 HydrophobicContact CG1-CD2 4.3Å; V62-L298 HydrophobicContact CG2-CD2 3.7Å; V62-I300 HydrophobicContact CB-CD1 4.43Å; V62-I300 HydrophobicContact CG1-CD1 4.4Å; V62-I300 HydrophobicContact CG2-CD1 3.77Å
63	D	97.6	Very high	97.1	Very high	27 Å²	27	46.3 Å²	46.3	14%	0.144	23%	0.232	C	C	.	.	H	α-helix	trans	-55	-46.9	174.9	-81.3	-42.3	0	0	0	110.8	E59 S65 M66 L67 R73 Y138	E59-D63 WeakPolarHBondContact O-CB 3.36Å; E59-D63 PolarHBondContact O-N 3.48Å; D63-S65 VanDerWaalsContact C-N 3.35Å; D63-S65 PolarHBondContact O-N 3.35Å; D63-M66 PolarHBondContact O-N 2.93Å; D63-L67 WeakPolarHBondContact O-CB 3.23Å; D63-L67 WeakPolarHBondContact O-CG 3.48Å; D63-L67 PolarHBondContact O-N 3.05Å; D63-R73 IonicContact OD1-CZ 2.7Å; D63-R73 IonicContact OD1-NE 3.67Å; D63-R73 IonicContact OD1-NH1 2.65Å; D63-R73 PolarHBondContact OD1-NH1 3.03Å; D63-R73 IonicContact OD2-CZ 3.12Å; D63-R73 IonicContact OD2-NH1 3.53Å; D63-R73 PolarHBondContact OD2-NH1 3.4Å; D63-Y138 VanDerWaalsContact OD1-CE2 3.25Å; D63-Y138 WeakPolarHBondContact OD1-CE2 3.21Å; D63-Y138 PolarHBondContact OD1-OH 3.12Å
64	N	96.4	Very high	97.3	Very high	68 Å²	68	46.9 Å²	46.9	36%	0.364	24%	0.239	S	C	.	.	H	α-helix	trans	-59.8	-44.9	177.3	-71.4	-28.8	0	0	0	111.8	S60 L61 V62 M66 L67 Q68	S60-N64 PolarHBondContact O-N 2.87Å; S60-N64 PolarHBondContact O-ND2 3.16Å; S60-N64 VanDerWaalsContact O-ND2 3.13Å; L61-N64 PolarHBondContact O-N 3.34Å; V62-N64 VanDerWaalsContact C-N 3.3Å; V62-N64 PolarHBondContact O-N 3.38Å; N64-M66 PolarHBondContact O-N 3.33Å; N64-L67 PolarHBondContact O-N 3.4Å; N64-Q68 WeakPolarHBondContact O-CB 3.16Å; N64-Q68 VanDerWaalsContact O-CG 3.28Å; N64-Q68 WeakPolarHBondContact O-CG 3.28Å; N64-Q68 PolarHBondContact O-N 3.04Å
65	S	97.7	Very high	97.3	Very high	14 Å²	14	53.7 Å²	53.7	10%	0.098	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-42	175.7	-62.5	0	0	0	0	112.3	L61 V62 D63 Q68 L69	L61-S65 PolarHBondContact O-N 2.93Å; L61-S65 VanDerWaalsContact O-N 3.09Å; L61-S65 PolarHBondContact O-OG 3.17Å; V62-S65 WeakPolarHBondContact O-CB 3.43Å; V62-S65 PolarHBondContact O-N 2.69Å; V62-S65 VanDerWaalsContact O-N 3.14Å; D63-S65 VanDerWaalsContact C-N 3.35Å; D63-S65 PolarHBondContact O-N 3.35Å; S65-Q68 PolarHBondContact O-N 3.34Å; S65-L69 PolarHBondContact O-N 2.86Å
66	M	98.5	Very high	97.4	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-69.5	-39.9	179.2	-65	-55.5	99.8	0	0	112	V62 D63 N64 Q68 L69 G70 A71 Y138 I165 A185 Y186	V62-M66 HydrophobicContact CG1-CG 4.21Å; V62-M66 WeakPolarHBondContact O-CG 3.44Å; V62-M66 PolarHBondContact O-N 3.49Å; D63-M66 PolarHBondContact O-N 2.93Å; N64-M66 PolarHBondContact O-N 3.33Å; M66-Q68 VanDerWaalsContact C-N 3.34Å; M66-Q68 PolarHBondContact O-N 3.28Å; M66-L69 HydrophobicContact CE-CD1 3.79Å; M66-L69 WeakPolarHBondContact O-CB 3.43Å; M66-L69 PolarHBondContact O-N 2.89Å; M66-L69 VanDerWaalsContact O-N 3.15Å; M66-L69 HydrophobicContact SD-CD1 4.12Å; M66-G70 PolarHBondContact O-N 3.3Å; M66-A71 HydrophobicContact CB-CB 4.32Å; M66-A71 VanDerWaalsContact O-CB 3.28Å; M66-A71 WeakPolarHBondContact O-CB 3.38Å; M66-A71 PolarHBondContact O-N 3.35Å; M66-Y138 HydrophobicContact CB-CD1 3.78Å; M66-Y138 HydrophobicContact CB-CD2 4.09Å; M66-Y138 HydrophobicContact CB-CE1 3.6Å; M66-Y138 HydrophobicContact CB-CE2 3.93Å; M66-Y138 HydrophobicContact CB-CG 4.01Å; M66-Y138 HydrophobicContact CG-CD1 4.28Å; M66-Y138 HydrophobicContact CG-CD2 3.82Å; M66-Y138 HydrophobicContact CG-CE1 4.4Å; M66-Y138 HydrophobicContact CG-CE2 3.96Å; M66-Y138 HydrophobicContact CG-CG 3.98Å; M66-I165 HydrophobicContact SD-CB 4.23Å; M66-I165 HydrophobicContact SD-CD1 3.65Å; M66-I165 HydrophobicContact SD-CG2 4.16Å; M66-A185 HydrophobicContact CE-CB 4.43Å; M66-Y186 HydrophobicContact CE-CD1 4.41Å; M66-Y186 HydrophobicContact CE-CE1 4.04Å
67	L	97.3	Very high	97.5	Very high	104 Å²	104	50 Å²	50	55%	0.545	27%	0.268	S	S	.	.	H	α-helix	trans	-63.6	-38.7	175	-71.3	170.7	0	0	0	111.7	D63 N64 L69 G70	D63-L67 WeakPolarHBondContact O-CB 3.23Å; D63-L67 WeakPolarHBondContact O-CG 3.48Å; D63-L67 PolarHBondContact O-N 3.05Å; N64-L67 PolarHBondContact O-N 3.4Å; L67-L69 PolarHBondContact O-N 3.49Å; L67-G70 WeakPolarHBondContact O-CA 3.14Å; L67-G70 PolarHBondContact O-N 3.41Å
68	Q	97.9	Very high	97.6	Very high	163 Å²	163	51.9 Å²	51.9	76%	0.762	28%	0.28	S	S	*	.	H	α-helix	trans	-63.9	-27.6	174.2	-75.5	175.3	-12.8	0	0	113.1	N64 S65 M66 G70	N64-Q68 WeakPolarHBondContact O-CB 3.16Å; N64-Q68 VanDerWaalsContact O-CG 3.28Å; N64-Q68 WeakPolarHBondContact O-CG 3.28Å; N64-Q68 PolarHBondContact O-N 3.04Å; S65-Q68 PolarHBondContact O-N 3.34Å; M66-Q68 VanDerWaalsContact C-N 3.34Å; M66-Q68 PolarHBondContact O-N 3.28Å; Q68-G70 PolarHBondContact O-N 3.37Å
69	L	98.1	Very high	97.6	Very high	17 Å²	17	56.1 Å²	56.1	9%	0.089	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-13.8	171.4	-69.1	169.9	0	0	0	113.1	S65 M66 L67 L136 I165 R181 V182 A185	S65-L69 PolarHBondContact O-N 2.86Å; M66-L69 HydrophobicContact CE-CD1 3.79Å; M66-L69 WeakPolarHBondContact O-CB 3.43Å; M66-L69 PolarHBondContact O-N 2.89Å; M66-L69 VanDerWaalsContact O-N 3.15Å; M66-L69 HydrophobicContact SD-CD1 4.12Å; L67-L69 PolarHBondContact O-N 3.49Å; L69-L136 HydrophobicContact CB-CD2 4.11Å; L69-I165 HydrophobicContact CD1-CD1 4.37Å; L69-R181 HydrophobicContact CD2-CB 4.03Å; L69-R181 PolarHBondContact O-NH2 3.07Å; L69-V182 HydrophobicContact CD1-CG2 4.18Å; L69-A185 HydrophobicContact CD1-CB 3.8Å; L69-A185 HydrophobicContact CD2-CB 4.16Å; L69-A185 HydrophobicContact CG-CB 4.14Å
70	G	98.1	Very high	97.7	Very high	53 Å²	53	54.4 Å²	54.4	55%	0.546	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	17.2	-169.5	0	0	0	0	0	113.2	M66 L67 Q68	M66-G70 PolarHBondContact O-N 3.3Å; L67-G70 WeakPolarHBondContact O-CA 3.14Å; L67-G70 PolarHBondContact O-N 3.41Å; Q68-G70 PolarHBondContact O-N 3.37Å
71	A	98.6	Very high	97.8	Very high	3 Å²	3	53.6 Å²	53.6	3%	0.025	29%	0.288	C	S	.	.			trans	-78.2	147.2	179.2	0	0	0	0	0	111.8	M66 L136 Y138 I165	M66-A71 HydrophobicContact CB-CB 4.32Å; M66-A71 VanDerWaalsContact O-CB 3.28Å; M66-A71 WeakPolarHBondContact O-CB 3.38Å; M66-A71 PolarHBondContact O-N 3.35Å; A71-L136 CarbonylContact C-O 3.59Å; A71-L136 VanDerWaalsContact CA-O 3.3Å; A71-L136 WeakPolarHBondContact CA-O 3.47Å; A71-L136 HydrophobicContact CB-CB 3.7Å; A71-Y138 HydrophobicContact CB-CD1 3.76Å; A71-Y138 HydrophobicContact CB-CE1 4.34Å; A71-I165 HydrophobicContact CB-CD1 3.7Å
72	Q	98.2	Very high	97.9	Very high	130 Å²	130	56.6 Å²	56.6	61%	0.607	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	131.5	179.4	-67.5	176.2	75.8	0	0	110.7	L136 V137 Y138	Q72-L136 PolarHBondContact N-O 3.39Å; Q72-V137 CarbonylContact O-C 3.51Å; Q72-V137 VanDerWaalsContact O-CA 3.3Å; Q72-V137 WeakPolarHBondContact O-CA 3.41Å; Q72-Y138 PolarHBondContact O-N 2.92Å
73	R	98.4	Very high	97.9	Very high	112 Å²	112	61.8 Å²	61.8	42%	0.423	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	132	178.5	-162.5	170.2	177.6	168.7	-2.3	110.5	D63 Y138	D63-R73 IonicContact OD1-CZ 2.7Å; D63-R73 IonicContact OD1-NE 3.67Å; D63-R73 IonicContact OD1-NH1 2.65Å; D63-R73 PolarHBondContact OD1-NH1 3.03Å; D63-R73 IonicContact OD2-CZ 3.12Å; D63-R73 IonicContact OD2-NH1 3.53Å; D63-R73 PolarHBondContact OD2-NH1 3.4Å; R73-Y138 CarbonylContact C-O 3.53Å; R73-Y138 VanDerWaalsContact CA-O 3.28Å; R73-Y138 WeakPolarHBondContact CA-O 3.46Å; R73-Y138 HydrophobicContact CB-CD1 4.3Å; R73-Y138 HydrophobicContact CB-CE1 3.66Å; R73-Y138 HydrophobicContact CB-CE2 4.22Å; R73-Y138 HydrophobicContact CG-CD2 4.43Å; R73-Y138 HydrophobicContact CG-CE1 4.27Å; R73-Y138 HydrophobicContact CG-CE2 3.91Å
74	V	98.2	Very high	97.8	Very high	41 Å²	41	60.6 Å²	60.6	25%	0.248	32%	0.315	C	S	.	.			trans	-126.6	168.5	174	-62.1	0	0	0	0	109.7	L76 I119 V137 Y138 Q139	V74-L76 HydrophobicContact CG2-CD2 4.1Å; V74-L76 HydrophobicContact CG2-CG 4.15Å; V74-I119 HydrophobicContact CG2-CD1 4.46Å; V74-V137 HydrophobicContact CG1-CG1 4.48Å; V74-Y138 PolarHBondContact N-O 2.86Å; V74-Q139 WeakPolarHBondContact O-CB 3.48Å
75	L	98.2	Very high	97.9	Very high	143 Å²	143	57.3 Å²	57.3	75%	0.749	30%	0.298	S	S	*	.			trans	-124.8	111.4	169.5	176.7	61.9	0	0	0	107.9	T141	L75-T141 HydrophobicContact CD1-CG2 3.55Å
76	L	98.2	Very high	97.9	Very high	9 Å²	9	60.8 Å²	60.8	5%	0.047	31%	0.313	C	S	.	.			trans	-94.3	153.4	176.8	-53.9	177.3	0	0	0	109.8	V74 H115 Y118 I119	V74-L76 HydrophobicContact CG2-CD2 4.1Å; V74-L76 HydrophobicContact CG2-CG 4.15Å; L76-H115 HydrophobicContact CD1-CB 3.73Å; L76-Y118 HydrophobicContact CB-CD1 4.37Å; L76-Y118 HydrophobicContact CD2-CD1 4.11Å; L76-Y118 HydrophobicContact CD2-CE1 4.46Å; L76-I119 HydrophobicContact CD1-CB 3.84Å; L76-I119 HydrophobicContact CD1-CD1 3.88Å; L76-I119 HydrophobicContact CD1-CG1 4.33Å; L76-I119 HydrophobicContact CD2-CD1 3.92Å; L76-I119 HydrophobicContact CG-CD1 4.46Å
77	P	97.8	Very high	97.8	Very high	52 Å²	52	66.1 Å²	66.1	34%	0.338	34%	0.336	S	S	.	.			trans	-63.6	138.2	-179.1	-25.3	37.2	0	0	0	112.5	L79 Q112 H115 Y118	P77-L79 VanDerWaalsContact C-N 3.28Å; P77-L79 PolarHBondContact O-N 2.88Å; P77-Q112 PolarHBondContact O-NE2 3.03Å; P77-H115 PolarHBondContact O-NE2 2.8Å; P77-Y118 HydrophobicContact CB-CE2 4.38Å; P77-Y118 VanDerWaalsContact CD-CZ 3.41Å; P77-Y118 HydrophobicContact CG-CE1 3.96Å; P77-Y118 HydrophobicContact CG-CE2 3.78Å; P77-Y118 VanDerWaalsContact CG-CZ 3.45Å; P77-Y118 WeakPolarHBondContact CG-OH 3.45Å
78	T	98	Very high	97.8	Very high	51 Å²	51	61.8 Å²	61.8	31%	0.313	31%	0.314	S	S	.	.	S	Bend	trans	-68.7	-29.3	170.2	-55.7	0	0	0	0	112.3	L111 Q112 F144	T78-L111 HydrophobicContact CG2-CD2 4.36Å; T78-Q112 WeakPolarHBondContact O-CG 3.3Å; T78-Q112 PolarHBondContact O-N 3.1Å; T78-F144 HydrophobicContact CG2-CD2 3.7Å; T78-F144 HydrophobicContact CG2-CE2 3.37Å; T78-F144 HydrophobicContact CG2-CZ 4.36Å
79	L	97.6	Very high	97.7	Very high	89 Å²	89	55.7 Å²	55.7	47%	0.466	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	110.1	175.4	-72.8	168.7	0	0	0	110.3	P77 V101 Y109 L111	P77-L79 VanDerWaalsContact C-N 3.28Å; P77-L79 PolarHBondContact O-N 2.88Å; L79-V101 HydrophobicContact CD2-CG2 4.04Å; L79-Y109 HydrophobicContact CB-CD1 4.41Å; L79-L111 HydrophobicContact CD2-CD2 3.82Å
80	G	97.6	Very high	97.6	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.5	175.4	0	0	0	0	0	110.5	Y109 C110	G80-Y109 CarbonylContact O-C 3.46Å; G80-Y109 WeakPolarHBondContact O-CA 3.46Å; G80-C110 PolarHBondContact N-O 2.8Å; G80-C110 PolarHBondContact O-N 2.83Å
81	P	97.6	Very high	97.6	Very high	24 Å²	24	52.8 Å²	52.8	16%	0.156	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	143.2	179.6	28.2	-34	0	0	0	111.4	H83 I84 Y109	P81-H83 VanDerWaalsContact C-N 3.26Å; P81-H83 PolarHBondContact O-N 3.35Å; P81-H83 VanDerWaalsContact O-N 3.14Å; P81-I84 HydrophobicContact CG-CD1 4.18Å; P81-I84 HydrophobicContact CG-CG1 4.06Å; P81-I84 HydrophobicContact CG-CG2 4.29Å; P81-I84 VanDerWaalsContact O-CG1 3.23Å; P81-I84 WeakPolarHBondContact O-CG1 3.31Å; P81-I84 PolarHBondContact O-N 3.25Å; P81-Y109 HydrophobicContact CB-CD1 4.07Å; P81-Y109 HydrophobicContact CB-CE1 4.15Å
82	R	97.7	Very high	97.4	Very high	86 Å²	86	56.5 Å²	56.5	33%	0.325	29%	0.293	S	S	.	.	H	α-helix	trans	-49.2	-44.5	-178.4	169.5	173.7	174.9	177.7	-2.5	113.5	I84 W85 E86 W91 E108	R82-I84 VanDerWaalsContact C-N 3.3Å; R82-I84 PolarHBondContact O-N 3.43Å; R82-W85 WeakPolarHBondContact O-CB 3.05Å; R82-W85 PolarHBondContact O-N 3.09Å; R82-E86 HydrophobicContact CG-CG 3.92Å; R82-E86 IonicContact CZ-OE1 3.23Å; R82-E86 VanDerWaalsContact NE-CD 3.3Å; R82-E86 IonicContact NE-OE1 2.69Å; R82-E86 PolarHBondContact NE-OE1 3.1Å; R82-E86 IonicContact NE-OE2 2.76Å; R82-E86 IonicContact NH2-OE1 3.52Å; R82-E86 PolarHBondContact NH2-OE1 3.17Å; R82-E86 PolarHBondContact O-N 3.03Å; R82-W91 HydrophobicContact CB-CD2 4.27Å; R82-W91 HydrophobicContact CB-CE3 4.12Å; R82-W91 HydrophobicContact CB-CH2 3.75Å; R82-W91 HydrophobicContact CB-CZ2 3.92Å; R82-W91 HydrophobicContact CB-CZ3 3.85Å; R82-W91 HydrophobicContact CG-CD2 3.73Å; R82-W91 HydrophobicContact CG-CE3 4.08Å; R82-W91 HydrophobicContact CG-CG 4.22Å; R82-W91 HydrophobicContact CG-CH2 4.07Å; R82-W91 HydrophobicContact CG-CZ2 3.73Å; R82-W91 HydrophobicContact CG-CZ3 4.23Å; R82-E108 HydrophobicContact CB-CB 3.8Å; R82-E108 WeakPolarHBondContact CB-O 3.43Å; R82-E108 WeakPolarHBondContact CD-OE2 3.35Å; R82-E108 HydrophobicContact CG-CB 4.44Å; R82-E108 IonicContact CZ-OE2 2.78Å; R82-E108 PolarHBondContact N-O 3.19Å; R82-E108 IonicContact NE-OE2 3.73Å; R82-E108 IonicContact NH1-OE1 2.75Å; R82-E108 IonicContact NH1-OE2 3.92Å; R82-E108 PolarHBondContact NH1-OE2 2.8Å
83	H	97.4	Very high	97.2	Very high	109 Å²	109	53.8 Å²	53.8	51%	0.505	29%	0.285	S	S	.	.	H	α-helix	trans	-61.7	-30.6	-171.7	73.5	-90.6	0	0	0	114.1	P81 K87	P81-H83 VanDerWaalsContact C-N 3.26Å; P81-H83 PolarHBondContact O-N 3.35Å; P81-H83 VanDerWaalsContact O-N 3.14Å; H83-K87 WeakPolarHBondContact O-CG 3.26Å; H83-K87 PolarHBondContact O-N 3.5Å
84	I	97.1	Very high	96.9	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-73.7	-35.5	175.7	64.6	170.4	0	0	0	111.2	P81 R82 E86 K87 S88 E117 Y118 F278	P81-I84 HydrophobicContact CG-CD1 4.18Å; P81-I84 HydrophobicContact CG-CG1 4.06Å; P81-I84 HydrophobicContact CG-CG2 4.29Å; P81-I84 VanDerWaalsContact O-CG1 3.23Å; P81-I84 WeakPolarHBondContact O-CG1 3.31Å; P81-I84 PolarHBondContact O-N 3.25Å; R82-I84 VanDerWaalsContact C-N 3.3Å; R82-I84 PolarHBondContact O-N 3.43Å; I84-E86 VanDerWaalsContact C-N 3.34Å; I84-K87 WeakPolarHBondContact O-CB 3.29Å; I84-K87 PolarHBondContact O-N 3.14Å; I84-S88 PolarHBondContact O-N 2.95Å; I84-E117 HydrophobicContact CB-CB 4.38Å; I84-E117 HydrophobicContact CD1-CB 4.06Å; I84-E117 HydrophobicContact CG1-CB 4.2Å; I84-Y118 HydrophobicContact CD1-CD2 3.63Å; I84-Y118 HydrophobicContact CD1-CG 4.22Å; I84-F278 HydrophobicContact CB-CE1 3.95Å; I84-F278 HydrophobicContact CB-CZ 4.27Å; I84-F278 HydrophobicContact CG2-CE1 4.31Å; I84-F278 VanDerWaalsContact O-CZ 3.29Å; I84-F278 WeakPolarHBondContact O-CZ 3.47Å
85	W	97.4	Very high	96.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-72.6	-28.2	176.1	-75.6	81.9	0	0	0	112.4	R82 S88 G89 R90 W91 M94 L98 C110 Q112 P113 E117	R82-W85 WeakPolarHBondContact O-CB 3.05Å; R82-W85 PolarHBondContact O-N 3.09Å; W85-S88 PolarHBondContact O-OG 3.47Å; W85-S88 VanDerWaalsContact O-OG 3.12Å; W85-G89 PolarHBondContact O-N 3.05Å; W85-R90 HydrophobicContact CE3-CB 3.83Å; W85-R90 HydrophobicContact CZ3-CB 4.05Å; W85-R90 PolarHBondContact O-N 3.09Å; W85-R90 VanDerWaalsContact O-N 3.1Å; W85-W91 HydrophobicContact CB-CB 3.85Å; W85-W91 HydrophobicContact CB-CD2 4.47Å; W85-W91 HydrophobicContact CB-CE3 3.77Å; W85-W91 HydrophobicContact CG-CE3 4.28Å; W85-W91 PolarHBondContact O-N 2.54Å; W85-M94 HydrophobicContact CZ3-SD 3.97Å; W85-L98 HydrophobicContact CE3-CD1 4.28Å; W85-L98 HydrophobicContact CE3-CD2 4.46Å; W85-L98 HydrophobicContact CH2-CD2 4.16Å; W85-L98 HydrophobicContact CZ3-CD2 4.07Å; W85-C110 VanDerWaalsContact CE2-SG 3.6Å; W85-C110 PolarHBondContact NE1-SG 2.82Å; W85-C110 VanDerWaalsContact NE1-SG 3.38Å; W85-Q112 HydrophobicContact CZ2-CG 4.47Å; W85-P113 HydrophobicContact CH2-CG 3.72Å; W85-P113 HydrophobicContact CZ2-CG 4.34Å; W85-E117 HydrophobicContact CD2-CG 4.37Å; W85-E117 HydrophobicContact CG-CG 4.49Å
86	E	97.6	Very high	95.9	Very high	87 Å²	87	51.4 Å²	51.4	41%	0.407	28%	0.284	S	S	.	.	H	α-helix	trans	-68.6	-38.4	171	-72.9	-177.4	138.1	0	0	111.9	R82 I84 S88 G89 W91	R82-E86 HydrophobicContact CG-CG 3.92Å; R82-E86 IonicContact CZ-OE1 3.23Å; R82-E86 VanDerWaalsContact NE-CD 3.3Å; R82-E86 IonicContact NE-OE1 2.69Å; R82-E86 PolarHBondContact NE-OE1 3.1Å; R82-E86 IonicContact NE-OE2 2.76Å; R82-E86 IonicContact NH2-OE1 3.52Å; R82-E86 PolarHBondContact NH2-OE1 3.17Å; R82-E86 PolarHBondContact O-N 3.03Å; I84-E86 VanDerWaalsContact C-N 3.34Å; E86-S88 VanDerWaalsContact C-N 3.27Å; E86-S88 PolarHBondContact O-N 3.22Å; E86-G89 PolarHBondContact O-N 2.75Å; E86-W91 HydrophobicContact CG-CB 3.89Å; E86-W91 HydrophobicContact CG-CG 4.08Å
87	K	97.4	Very high	95.4	Very high	114 Å²	114	52.5 Å²	52.5	50%	0.496	29%	0.292	S	S	.	.	H	α-helix	trans	-59.9	-35.2	175.7	-73.7	-177.8	177.6	-170.1	0	113	H83 I84 G89 C277 F278	H83-K87 WeakPolarHBondContact O-CG 3.26Å; H83-K87 PolarHBondContact O-N 3.5Å; I84-K87 WeakPolarHBondContact O-CB 3.29Å; I84-K87 PolarHBondContact O-N 3.14Å; K87-G89 VanDerWaalsContact C-N 3.31Å; K87-C277 PolarHBondContact O-SG 2.86Å; K87-F278 HydrophobicContact CB-CE1 4.06Å; K87-F278 HydrophobicContact CB-CZ 4.14Å; K87-F278 HydrophobicContact CD-CD1 4.03Å; K87-F278 HydrophobicContact CD-CE1 3.87Å
88	S	96.4	Very high	95.3	Very high	12 Å²	12	50.2 Å²	50.2	8%	0.084	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-6.7	174.6	69.5	0	0	0	0	113.7	I84 W85 E86 R90 E117	I84-S88 PolarHBondContact O-N 2.95Å; W85-S88 PolarHBondContact O-OG 3.47Å; W85-S88 VanDerWaalsContact O-OG 3.12Å; E86-S88 VanDerWaalsContact C-N 3.27Å; E86-S88 PolarHBondContact O-N 3.22Å; S88-R90 PolarHBondContact O-N 3Å; S88-R90 VanDerWaalsContact O-N 3.17Å; S88-R90 WeakPolarHBondContact OG-CB 3.31Å; S88-R90 PolarHBondContact OG-N 2.86Å; S88-E117 WeakPolarHBondContact CB-OE1 3.44Å; S88-E117 VanDerWaalsContact OG-CG 3.3Å; S88-E117 WeakPolarHBondContact OG-CG 3.4Å; S88-E117 PolarHBondContact OG-OE1 3.1Å
89	G	96.2	Very high	95.3	Very high	36 Å²	36	50.5 Å²	50.5	37%	0.371	27%	0.274	S	S	.	.	S	Bend	trans	71.6	-8	-170.7	0	0	0	0	0	114.3	W85 E86 K87 W91 S92 T93	W85-G89 PolarHBondContact O-N 3.05Å; E86-G89 PolarHBondContact O-N 2.75Å; K87-G89 VanDerWaalsContact C-N 3.31Å; G89-W91 VanDerWaalsContact C-N 3.27Å; G89-W91 PolarHBondContact O-N 2.98Å; G89-S92 PolarHBondContact O-N 2.89Å; G89-T93 PolarHBondContact O-N 3.29Å
90	R	96.4	Very high	95.3	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	27%	0.267	C	S	.	.	H	α-helix	trans	-75.3	-13.5	-173.9	-71.2	177.7	57	-153.6	13.5	113.7	W85 S88 S92 T93 M94 T114 E116 E117 Y274	W85-R90 HydrophobicContact CE3-CB 3.83Å; W85-R90 HydrophobicContact CZ3-CB 4.05Å; W85-R90 PolarHBondContact O-N 3.09Å; W85-R90 VanDerWaalsContact O-N 3.1Å; S88-R90 PolarHBondContact O-N 3Å; S88-R90 VanDerWaalsContact O-N 3.17Å; S88-R90 WeakPolarHBondContact OG-CB 3.31Å; S88-R90 PolarHBondContact OG-N 2.86Å; R90-S92 VanDerWaalsContact C-N 3.29Å; R90-S92 PolarHBondContact O-N 2.88Å; R90-T93 WeakPolarHBondContact CA-OG1 3.08Å; R90-M94 HydrophobicContact CB-CG 4.35Å; R90-M94 HydrophobicContact CB-SD 4.4Å; R90-M94 VanDerWaalsContact CZ-SD 3.53Å; R90-M94 PolarHBondContact NE-SD 3.45Å; R90-M94 PolarHBondContact NH2-SD 3.37Å; R90-M94 VanDerWaalsContact O-CB 3.29Å; R90-M94 WeakPolarHBondContact O-CB 3.37Å; R90-M94 PolarHBondContact O-N 2.9Å; R90-T114 PolarHBondContact NH2-OG1 3.46Å; R90-E116 IonicContact CZ-OE2 3.08Å; R90-E116 IonicContact NH1-OE2 3.49Å; R90-E116 PolarHBondContact NH1-OE2 2.91Å; R90-E116 IonicContact NH2-OE2 2.81Å; R90-E117 VanDerWaalsContact CD-OE1 3.27Å; R90-E117 WeakPolarHBondContact CD-OE1 2.91Å; R90-E117 IonicContact CZ-OE1 3.78Å; R90-E117 IonicContact NE-OE1 3.96Å; R90-E117 IonicContact NH1-OE1 3.27Å; R90-E117 PolarHBondContact NH1-OE1 2.76Å; R90-E117 IonicContact NH1-OE2 2.7Å; R90-E117 PolarHBondContact NH1-OE2 3.31Å; R90-E117 VanDerWaalsContact NH1-OE2 3.16Å; R90-Y274 WeakPolarHBondContact CD-OH 3.48Å; R90-Y274 PolarHBondContact NH1-OH 2.97Å; R90-Y274 VanDerWaalsContact NH1-OH 3.17Å
91	W	96.9	Very high	95.2	Very high	7 Å²	7	52.9 Å²	52.9	3%	0.027	28%	0.283	C	S	.	.	H	α-helix	trans	-53.1	-51.1	169.8	-175.3	-104.4	0	0	0	110.7	R82 W85 E86 G89 L98 R100 E108 C110	R82-W91 HydrophobicContact CB-CD2 4.27Å; R82-W91 HydrophobicContact CB-CE3 4.12Å; R82-W91 HydrophobicContact CB-CH2 3.75Å; R82-W91 HydrophobicContact CB-CZ2 3.92Å; R82-W91 HydrophobicContact CB-CZ3 3.85Å; R82-W91 HydrophobicContact CG-CD2 3.73Å; R82-W91 HydrophobicContact CG-CE3 4.08Å; R82-W91 HydrophobicContact CG-CG 4.22Å; R82-W91 HydrophobicContact CG-CH2 4.07Å; R82-W91 HydrophobicContact CG-CZ2 3.73Å; R82-W91 HydrophobicContact CG-CZ3 4.23Å; W85-W91 HydrophobicContact CB-CB 3.85Å; W85-W91 HydrophobicContact CB-CD2 4.47Å; W85-W91 HydrophobicContact CB-CE3 3.77Å; W85-W91 HydrophobicContact CG-CE3 4.28Å; W85-W91 PolarHBondContact O-N 2.54Å; E86-W91 HydrophobicContact CG-CB 3.89Å; E86-W91 HydrophobicContact CG-CG 4.08Å; G89-W91 VanDerWaalsContact C-N 3.27Å; G89-W91 PolarHBondContact O-N 2.98Å; W91-L98 HydrophobicContact CE3-CD1 4.35Å; W91-R100 HydrophobicContact CH2-CB 4.41Å; W91-R100 HydrophobicContact CH2-CG 3.81Å; W91-R100 HydrophobicContact CZ2-CG 4.06Å; W91-R100 HydrophobicContact CZ3-CG 4.37Å; W91-R100 PolarHBondContact O-NH2 2.72Å; W91-E108 HydrophobicContact CH2-CB 4.18Å; W91-E108 HydrophobicContact CZ2-CB 4.2Å; W91-C110 HydrophobicContact CZ3-CB 4.05Å
92	S	95.3	Very high	95.3	Very high	82 Å²	82	58.3 Å²	58.3	57%	0.573	30%	0.304	S	S	*	.	H	α-helix	trans	-78.1	-44.9	-177.9	-58.7	0	0	0	0	112.5	G89 R90 M94 Q95	G89-S92 PolarHBondContact O-N 2.89Å; R90-S92 VanDerWaalsContact C-N 3.29Å; R90-S92 PolarHBondContact O-N 2.88Å; S92-M94 VanDerWaalsContact C-N 3.31Å; S92-M94 PolarHBondContact O-N 2.79Å; S92-Q95 WeakPolarHBondContact O-CB 3.39Å; S92-Q95 PolarHBondContact O-N 2.93Å
93	T	93.9	Very high	95.2	Very high	73 Å²	73	56.8 Å²	56.8	45%	0.448	30%	0.303	S	S	.	.	H	α-helix	trans	-71.1	-24.9	-174.5	65	0	0	0	0	113.7	G89 R90 N206	G89-T93 PolarHBondContact O-N 3.29Å; R90-T93 WeakPolarHBondContact CA-OG1 3.08Å; T93-N206 PolarHBondContact O-ND2 3.27Å
94	M	91.8	Very high	95.3	Very high	24 Å²	24	63.5 Å²	63.5	12%	0.118	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	14.4	176.4	-65.9	-166.9	63.3	0	0	113.9	W85 R90 S92 S96 S97 L98 P113 N206	W85-M94 HydrophobicContact CZ3-SD 3.97Å; R90-M94 HydrophobicContact CB-CG 4.35Å; R90-M94 HydrophobicContact CB-SD 4.4Å; R90-M94 VanDerWaalsContact CZ-SD 3.53Å; R90-M94 PolarHBondContact NE-SD 3.45Å; R90-M94 PolarHBondContact NH2-SD 3.37Å; R90-M94 VanDerWaalsContact O-CB 3.29Å; R90-M94 WeakPolarHBondContact O-CB 3.37Å; R90-M94 PolarHBondContact O-N 2.9Å; S92-M94 VanDerWaalsContact C-N 3.31Å; S92-M94 PolarHBondContact O-N 2.79Å; M94-S96 PolarHBondContact O-N 3.4Å; M94-S97 WeakPolarHBondContact CE-OG 3.27Å; M94-S97 PolarHBondContact O-N 3.42Å; M94-S97 PolarHBondContact O-OG 2.62Å; M94-L98 HydrophobicContact CB-CD1 4.09Å; M94-L98 HydrophobicContact CB-CG 4.05Å; M94-L98 WeakPolarHBondContact O-CG 3.23Å; M94-L98 PolarHBondContact O-N 2.94Å; M94-P113 HydrophobicContact CE-CG 4.19Å; M94-N206 HydrophobicContact CG-CB 4.15Å
95	Q	87.1	Confident	95.3	Very high	118 Å²	118	70 Å²	70	55%	0.551	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-49.1	-40.7	-173.2	176.4	159.7	0.6	0	0	114.6	S92 S97	S92-Q95 WeakPolarHBondContact O-CB 3.39Å; S92-Q95 PolarHBondContact O-N 2.93Å; Q95-S97 PolarHBondContact O-N 2.94Å
96	S	87.8	Confident	95.3	Very high	104 Å²	104	74 Å²	74	73%	0.727	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-73.2	-11.1	-178.7	52.6	0	0	0	0	114.6	M94	M94-S96 PolarHBondContact O-N 3.4Å
97	S	89	Confident	95.3	Very high	31 Å²	31	74.7 Å²	74.7	22%	0.217	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-116.3	-5.3	-174.5	64.7	0	0	0	0	113.7	M94 Q95 D146	M94-S97 WeakPolarHBondContact CE-OG 3.27Å; M94-S97 PolarHBondContact O-N 3.42Å; M94-S97 PolarHBondContact O-OG 2.62Å; Q95-S97 PolarHBondContact O-N 2.94Å; S97-D146 PolarHBondContact O-N 2.98Å
98	L	96.1	Very high	95.4	Very high	4 Å²	4	71.7 Å²	71.7	2%	0.021	38%	0.376	C	S	.	.			trans	-98	122	-177.2	-69.3	175.6	0	0	0	111.1	W85 W91 M94 R100 C110 P113	W85-L98 HydrophobicContact CE3-CD1 4.28Å; W85-L98 HydrophobicContact CE3-CD2 4.46Å; W85-L98 HydrophobicContact CH2-CD2 4.16Å; W85-L98 HydrophobicContact CZ3-CD2 4.07Å; W91-L98 HydrophobicContact CE3-CD1 4.35Å; M94-L98 HydrophobicContact CB-CD1 4.09Å; M94-L98 HydrophobicContact CB-CG 4.05Å; M94-L98 WeakPolarHBondContact O-CG 3.23Å; M94-L98 PolarHBondContact O-N 2.94Å; L98-R100 HydrophobicContact CB-CG 4.12Å; L98-R100 PolarHBondContact O-N 2.9Å; L98-C110 HydrophobicContact CB-CB 4.4Å; L98-C110 HydrophobicContact CD2-CB 4.17Å; L98-P113 HydrophobicContact CD2-CG 3.58Å
99	F	97.2	Very high	95.4	Very high	57 Å²	57	74 Å²	74	25%	0.25	38%	0.384	C	S	.	.			trans	-68.4	102.8	160	-74.5	-67.6	0	0	0	109.3	C110 L111 F144 R145 D146 R158	F99-C110 CarbonylContact O-C 3.6Å; F99-C110 WeakPolarHBondContact O-CA 3.11Å; F99-L111 HydrophobicContact CB-CB 4.13Å; F99-L111 HydrophobicContact CB-CD1 4.02Å; F99-L111 HydrophobicContact CB-CG 4.15Å; F99-L111 HydrophobicContact CG-CD1 4.45Å; F99-L111 PolarHBondContact O-N 2.81Å; F99-F144 HydrophobicContact CD2-CB 3.88Å; F99-F144 HydrophobicContact CE2-CB 4.42Å; F99-R145 WeakPolarHBondContact CE2-O 3.18Å; F99-D146 HydrophobicContact CD1-CB 4.1Å; F99-D146 HydrophobicContact CD2-CB 4.31Å; F99-D146 HydrophobicContact CE1-CB 4.01Å; F99-D146 HydrophobicContact CE2-CB 4.3Å; F99-D146 HydrophobicContact CG-CB 4.25Å; F99-D146 HydrophobicContact CZ-CB 4.13Å; F99-R158 HydrophobicContact CE2-CB 4.11Å; F99-R158 HydrophobicContact CZ-CB 4.06Å; F99-R158 HydrophobicContact CZ-CG 4.18Å
100	R	96.7	Very high	95.5	Very high	82 Å²	82	72.3 Å²	72.3	31%	0.309	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.7	177.4	-64.9	177.9	-179.6	170.6	-0.4	110.7	W91 L98 Y109	W91-R100 HydrophobicContact CH2-CB 4.41Å; W91-R100 HydrophobicContact CH2-CG 3.81Å; W91-R100 HydrophobicContact CZ2-CG 4.06Å; W91-R100 HydrophobicContact CZ3-CG 4.37Å; W91-R100 PolarHBondContact O-NH2 2.72Å; L98-R100 HydrophobicContact CB-CG 4.12Å; L98-R100 PolarHBondContact O-N 2.9Å; R100-Y109 CarbonylContact C-O 3.58Å; R100-Y109 WeakPolarHBondContact CA-O 3.5Å
101	V	96.9	Very high	95.6	Very high	58 Å²	58	74.3 Å²	74.3	35%	0.352	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	153.6	178.9	-60.2	0	0	0	0	110.3	L79 Y109	L79-V101 HydrophobicContact CD2-CG2 4.04Å; V101-Y109 PolarHBondContact N-O 3.13Å; V101-Y109 PolarHBondContact O-N 3.21Å
102	K	98.1	Very high	95.6	Very high	138 Å²	138	74 Å²	74	60%	0.6	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	137.4	172.1	-69.8	-175.9	-177.9	-167.6	0	109.7	H107 E108	K102-H107 CarbonylContact C-O 3.59Å; K102-H107 VanDerWaalsContact CA-O 3.27Å; K102-H107 WeakPolarHBondContact CA-O 3.36Å; K102-E108 HydrophobicContact CD-CG 4.16Å; K102-E108 WeakPolarHBondContact CE-OE1 3.28Å; K102-E108 HydrophobicContact CG-CG 3.72Å; K102-E108 IonicContact NZ-OE1 3.78Å; K102-E108 PolarHBondContact NZ-OE1 2.94Å
103	D	97.4	Very high	95.7	Very high	54 Å²	54	70.1 Å²	70.1	29%	0.289	35%	0.348	S	S	.	.			trans	-76.1	179.4	167.1	75.2	14.7	0	0	0	111.3	L105 S106 H107 Y109	D103-L105 PolarHBondContact O-N 3.39Å; D103-L105 VanDerWaalsContact OD1-C 3.24Å; D103-L105 VanDerWaalsContact OD1-CA 3.29Å; D103-L105 WeakPolarHBondContact OD1-CA 3.3Å; D103-L105 WeakPolarHBondContact OD1-CB 3.48Å; D103-L105 PolarHBondContact OD1-N 2.94Å; D103-S106 PolarHBondContact O-N 2.81Å; D103-S106 PolarHBondContact OD1-N 3.21Å; D103-H107 PolarHBondContact N-O 2.95Å; D103-H107 IonicContact OD1-CG 3.84Å; D103-H107 PolarHBondContact OD1-N 2.91Å; D103-H107 IonicContact OD1-ND1 3.36Å; D103-H107 PolarHBondContact OD1-ND1 2.9Å; D103-H107 WeakPolarHBondContact OD2-CB 3.3Å; D103-H107 IonicContact OD2-CG 3.51Å; D103-H107 IonicContact OD2-ND1 2.89Å; D103-H107 PolarHBondContact OD2-ND1 3.14Å; D103-Y109 HydrophobicContact CB-CE2 3.92Å; D103-Y109 PolarHBondContact OD2-OH 2.61Å
104	R	97.7	Very high	95.8	Very high	250 Å²	250	67.2 Å²	67.2	94%	0.943	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.6	-178.9	-62.9	-175.5	-179.8	-161.2	0	113.9
105	L	97.9	Very high	96.1	Very high	138 Å²	138	66.1 Å²	66.1	72%	0.723	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	11.8	175.6	-59.9	-179.9	0	0	0	111.6	D103 H107	D103-L105 PolarHBondContact O-N 3.39Å; D103-L105 VanDerWaalsContact OD1-C 3.24Å; D103-L105 VanDerWaalsContact OD1-CA 3.29Å; D103-L105 WeakPolarHBondContact OD1-CA 3.3Å; D103-L105 WeakPolarHBondContact OD1-CB 3.48Å; D103-L105 PolarHBondContact OD1-N 2.94Å; L105-H107 PolarHBondContact O-N 3.21Å
106	S	97.5	Very high	96.6	Very high	84 Å²	84	60.9 Å²	60.9	59%	0.587	30%	0.301	S	S	*	.			trans	66.5	14.2	-178.1	-54.1	0	0	0	0	115.6	D103	D103-S106 PolarHBondContact O-N 2.81Å; D103-S106 PolarHBondContact OD1-N 3.21Å
107	H	98.1	Very high	97.1	Very high	101 Å²	101	55.9 Å²	55.9	47%	0.468	27%	0.266	S	S	.	.			trans	-68.5	138.7	169.5	-53.4	104.6	0	0	0	109.7	K102 D103 L105 Y109	K102-H107 CarbonylContact C-O 3.59Å; K102-H107 VanDerWaalsContact CA-O 3.27Å; K102-H107 WeakPolarHBondContact CA-O 3.36Å; D103-H107 PolarHBondContact N-O 2.95Å; D103-H107 IonicContact OD1-CG 3.84Å; D103-H107 PolarHBondContact OD1-N 2.91Å; D103-H107 IonicContact OD1-ND1 3.36Å; D103-H107 PolarHBondContact OD1-ND1 2.9Å; D103-H107 WeakPolarHBondContact OD2-CB 3.3Å; D103-H107 IonicContact OD2-CG 3.51Å; D103-H107 IonicContact OD2-ND1 2.89Å; D103-H107 PolarHBondContact OD2-ND1 3.14Å; L105-H107 PolarHBondContact O-N 3.21Å; H107-Y109 HydrophobicContact CB-CE2 3.67Å; H107-Y109 WeakPolarHBondContact O-CD2 3.5Å; H107-Y109 WeakPolarHBondContact O-CE2 3.23Å
108	E	98.2	Very high	97.6	Very high	51 Å²	51	57.7 Å²	57.7	24%	0.238	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136.8	-176.2	-75.7	173.3	130.3	0	0	111.9	R82 W91 K102	R82-E108 HydrophobicContact CB-CB 3.8Å; R82-E108 WeakPolarHBondContact CB-O 3.43Å; R82-E108 WeakPolarHBondContact CD-OE2 3.35Å; R82-E108 HydrophobicContact CG-CB 4.44Å; R82-E108 IonicContact CZ-OE2 2.78Å; R82-E108 PolarHBondContact N-O 3.19Å; R82-E108 IonicContact NE-OE2 3.73Å; R82-E108 IonicContact NH1-OE1 2.75Å; R82-E108 IonicContact NH1-OE2 3.92Å; R82-E108 PolarHBondContact NH1-OE2 2.8Å; W91-E108 HydrophobicContact CH2-CB 4.18Å; W91-E108 HydrophobicContact CZ2-CB 4.2Å; K102-E108 HydrophobicContact CD-CG 4.16Å; K102-E108 WeakPolarHBondContact CE-OE1 3.28Å; K102-E108 HydrophobicContact CG-CG 3.72Å; K102-E108 IonicContact NZ-OE1 3.78Å; K102-E108 PolarHBondContact NZ-OE1 2.94Å
109	Y	98.1	Very high	97.7	Very high	61 Å²	61	57.5 Å²	57.5	24%	0.239	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	163.8	176.7	-52.7	-96.7	0	0	0	109.4	L79 G80 P81 R100 V101 D103 H107	L79-Y109 HydrophobicContact CB-CD1 4.41Å; G80-Y109 CarbonylContact O-C 3.46Å; G80-Y109 WeakPolarHBondContact O-CA 3.46Å; P81-Y109 HydrophobicContact CB-CD1 4.07Å; P81-Y109 HydrophobicContact CB-CE1 4.15Å; R100-Y109 CarbonylContact C-O 3.58Å; R100-Y109 WeakPolarHBondContact CA-O 3.5Å; V101-Y109 PolarHBondContact N-O 3.13Å; V101-Y109 PolarHBondContact O-N 3.21Å; D103-Y109 HydrophobicContact CB-CE2 3.92Å; D103-Y109 PolarHBondContact OD2-OH 2.61Å; H107-Y109 HydrophobicContact CB-CE2 3.67Å; H107-Y109 WeakPolarHBondContact O-CD2 3.5Å; H107-Y109 WeakPolarHBondContact O-CE2 3.23Å
110	C	98	Very high	97.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	155	158.7	64	0	0	0	0	110.7	G80 W85 W91 L98 F99 Q112	G80-C110 PolarHBondContact N-O 2.8Å; G80-C110 PolarHBondContact O-N 2.83Å; W85-C110 VanDerWaalsContact CE2-SG 3.6Å; W85-C110 PolarHBondContact NE1-SG 2.82Å; W85-C110 VanDerWaalsContact NE1-SG 3.38Å; W91-C110 HydrophobicContact CZ3-CB 4.05Å; L98-C110 HydrophobicContact CB-CB 4.4Å; L98-C110 HydrophobicContact CD2-CB 4.17Å; F99-C110 CarbonylContact O-C 3.6Å; F99-C110 WeakPolarHBondContact O-CA 3.11Å; C110-Q112 PolarHBondContact O-N 2.99Å
111	L	98.1	Very high	97.8	Very high	43 Å²	43	53.1 Å²	53.1	23%	0.225	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	116.6	157.6	-55.9	178.3	0	0	0	107	T78 L79 F99 P113 F144	T78-L111 HydrophobicContact CG2-CD2 4.36Å; L79-L111 HydrophobicContact CD2-CD2 3.82Å; F99-L111 HydrophobicContact CB-CB 4.13Å; F99-L111 HydrophobicContact CB-CD1 4.02Å; F99-L111 HydrophobicContact CB-CG 4.15Å; F99-L111 HydrophobicContact CG-CD1 4.45Å; F99-L111 PolarHBondContact O-N 2.81Å; L111-P113 VanDerWaalsContact O-CD 3.31Å; L111-P113 WeakPolarHBondContact O-CD 3.45Å; L111-F144 HydrophobicContact CB-CB 3.45Å; L111-F144 VanDerWaalsContact CB-CB 3.45Å; L111-F144 HydrophobicContact CB-CD1 4.4Å; L111-F144 HydrophobicContact CB-CD2 3.9Å; L111-F144 HydrophobicContact CB-CG 3.66Å; L111-F144 HydrophobicContact CD1-CB 4.18Å; L111-F144 HydrophobicContact CD1-CD1 3.77Å; L111-F144 HydrophobicContact CD1-CE1 4.31Å; L111-F144 HydrophobicContact CD1-CG 3.9Å; L111-F144 HydrophobicContact CG-CB 4.47Å; L111-F144 HydrophobicContact CG-CG 4.38Å
112	Q	97.6	Very high	97.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.253	C	S	.	.			trans	-67.2	118.1	-166.2	-68.3	-157.6	109.1	0	0	112.1	P77 T78 W85 C110 T114 H115	P77-Q112 PolarHBondContact O-NE2 3.03Å; T78-Q112 WeakPolarHBondContact O-CG 3.3Å; T78-Q112 PolarHBondContact O-N 3.1Å; W85-Q112 HydrophobicContact CZ2-CG 4.47Å; C110-Q112 PolarHBondContact O-N 2.99Å; Q112-T114 VanDerWaalsContact C-N 3.34Å; Q112-T114 WeakPolarHBondContact CB-O 3.47Å; Q112-H115 VanDerWaalsContact CB-CE1 3.48Å; Q112-H115 WeakPolarHBondContact CB-CE1 3.42Å; Q112-H115 PolarHBondContact NE2-CD2 3.21Å; Q112-H115 PolarHBondContact NE2-NE2 2.7Å
113	P	96.5	Very high	97.8	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	23%	0.225	C	C	.	.	S	Bend	trans	-76.6	-25.4	173.8	32.3	-37.1	0	0	0	112.3	W85 M94 L98 L111 F144 R145	W85-P113 HydrophobicContact CH2-CG 3.72Å; W85-P113 HydrophobicContact CZ2-CG 4.34Å; M94-P113 HydrophobicContact CE-CG 4.19Å; L98-P113 HydrophobicContact CD2-CG 3.58Å; L111-P113 VanDerWaalsContact O-CD 3.31Å; L111-P113 WeakPolarHBondContact O-CD 3.45Å; P113-F144 VanDerWaalsContact CA-O 3.31Å; P113-F144 WeakPolarHBondContact CA-O 3.38Å; P113-F144 VanDerWaalsContact CB-O 3.29Å; P113-F144 WeakPolarHBondContact CB-O 3.45Å; P113-R145 HydrophobicContact CB-CG 3.78Å
114	T	96.5	Very high	97.9	Very high	13 Å²	13	46.1 Å²	46.1	8%	0.08	22%	0.219	C	C	.	.			trans	-152.4	169.6	-179.9	66.4	0	0	0	0	107.6	R90 Q112 E116	R90-T114 PolarHBondContact NH2-OG1 3.46Å; Q112-T114 VanDerWaalsContact C-N 3.34Å; Q112-T114 WeakPolarHBondContact CB-O 3.47Å; T114-E116 WeakPolarHBondContact CB-OE1 3.21Å; T114-E116 WeakPolarHBondContact CB-OE2 3.42Å; T114-E116 PolarHBondContact OG1-OE2 3.19Å
115	H	97.8	Very high	97.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.201	C	C	.	.			trans	-129.6	17.7	-170.7	-68.3	61.6	0	0	0	114.2	L76 P77 Q112 E117 Y118 I119 Q139 K143 Y166	L76-H115 HydrophobicContact CD1-CB 3.73Å; P77-H115 PolarHBondContact O-NE2 2.8Å; Q112-H115 VanDerWaalsContact CB-CE1 3.48Å; Q112-H115 WeakPolarHBondContact CB-CE1 3.42Å; Q112-H115 PolarHBondContact NE2-CD2 3.21Å; Q112-H115 PolarHBondContact NE2-NE2 2.7Å; H115-E117 VanDerWaalsContact C-N 3.27Å; H115-E117 PolarHBondContact O-N 3.34Å; H115-Y118 PolarHBondContact O-N 3.29Å; H115-I119 WeakPolarHBondContact O-CG2 3.23Å; H115-I119 PolarHBondContact O-N 2.75Å; H115-Q139 PolarHBondContact CD2-NE2 2.85Å; H115-Q139 PolarHBondContact ND1-NE2 2.7Å; H115-Q139 PolarHBondContact NE2-NE2 2.85Å; H115-K143 PolarHBondContact CE1-NZ 3.07Å; H115-K143 PolarHBondContact ND1-NZ 2.77Å; H115-Y166 WeakPolarHBondContact CA-OH 3.36Å; H115-Y166 HydrophobicContact CB-CE2 4.03Å; H115-Y166 WeakPolarHBondContact CB-OH 3.13Å; H115-Y166 PolarHBondContact N-OH 3.27Å
116	E	98.3	Very high	97.8	Very high	7 Å²	7	35.6 Å²	35.6	3%	0.033	19%	0.187	C	C	.	.	H	α-helix	trans	-54.9	-43.6	-178.2	-63	67.2	-132	0	0	111.3	R90 T114 I119 T120 Y166 L270 Y274 C295	R90-E116 IonicContact CZ-OE2 3.08Å; R90-E116 IonicContact NH1-OE2 3.49Å; R90-E116 PolarHBondContact NH1-OE2 2.91Å; R90-E116 IonicContact NH2-OE2 2.81Å; T114-E116 WeakPolarHBondContact CB-OE1 3.21Å; T114-E116 WeakPolarHBondContact CB-OE2 3.42Å; T114-E116 PolarHBondContact OG1-OE2 3.19Å; E116-I119 WeakPolarHBondContact O-CG2 2.81Å; E116-T120 VanDerWaalsContact O-CB 3.22Å; E116-T120 WeakPolarHBondContact O-CB 3.34Å; E116-T120 PolarHBondContact O-N 3.36Å; E116-T120 VanDerWaalsContact O-N 3.12Å; E116-T120 PolarHBondContact O-OG1 3.22Å; E116-Y166 HydrophobicContact CB-CE1 4.45Å; E116-Y166 HydrophobicContact CG-CE1 3.89Å; E116-Y166 WeakPolarHBondContact OE1-CE1 3.4Å; E116-Y166 PolarHBondContact OE1-OH 3.15Å; E116-Y166 VanDerWaalsContact OE1-OH 3.09Å; E116-L270 HydrophobicContact CG-CD1 4.36Å; E116-Y274 HydrophobicContact CB-CD1 3.67Å; E116-Y274 HydrophobicContact CB-CD2 4.27Å; E116-Y274 HydrophobicContact CB-CE1 3.46Å; E116-Y274 VanDerWaalsContact CB-CE1 3.46Å; E116-Y274 HydrophobicContact CB-CE2 4.08Å; E116-Y274 HydrophobicContact CB-CG 4.07Å; E116-Y274 HydrophobicContact CG-CE1 4.19Å; E116-Y274 HydrophobicContact CG-CE2 4.07Å; E116-C295 HydrophobicContact CG-CB 4.33Å
117	E	98.1	Very high	97.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-52.2	178.6	-70.1	77.5	-172.7	0	0	111.8	I84 W85 S88 R90 H115 N121 F278	I84-E117 HydrophobicContact CB-CB 4.38Å; I84-E117 HydrophobicContact CD1-CB 4.06Å; I84-E117 HydrophobicContact CG1-CB 4.2Å; W85-E117 HydrophobicContact CD2-CG 4.37Å; W85-E117 HydrophobicContact CG-CG 4.49Å; S88-E117 WeakPolarHBondContact CB-OE1 3.44Å; S88-E117 VanDerWaalsContact OG-CG 3.3Å; S88-E117 WeakPolarHBondContact OG-CG 3.4Å; S88-E117 PolarHBondContact OG-OE1 3.1Å; R90-E117 VanDerWaalsContact CD-OE1 3.27Å; R90-E117 WeakPolarHBondContact CD-OE1 2.91Å; R90-E117 IonicContact CZ-OE1 3.78Å; R90-E117 IonicContact NE-OE1 3.96Å; R90-E117 IonicContact NH1-OE1 3.27Å; R90-E117 PolarHBondContact NH1-OE1 2.76Å; R90-E117 IonicContact NH1-OE2 2.7Å; R90-E117 PolarHBondContact NH1-OE2 3.31Å; R90-E117 VanDerWaalsContact NH1-OE2 3.16Å; H115-E117 VanDerWaalsContact C-N 3.27Å; H115-E117 PolarHBondContact O-N 3.34Å; E117-N121 WeakPolarHBondContact O-CB 3.33Å; E117-N121 PolarHBondContact O-N 2.81Å; E117-F278 HydrophobicContact CB-CE2 4.12Å; E117-F278 HydrophobicContact CB-CZ 3.66Å; E117-F278 HydrophobicContact CG-CE2 4.19Å; E117-F278 HydrophobicContact CG-CZ 3.88Å
118	Y	98.1	Very high	97.6	Very high	68 Å²	68	33.1 Å²	33.1	27%	0.267	17%	0.171	S	C	.	.	H	α-helix	trans	-69.2	-45.3	-173.3	-160.3	-74.4	0	0	0	111.2	L76 P77 I84 H115 T120 N121 F122	L76-Y118 HydrophobicContact CB-CD1 4.37Å; L76-Y118 HydrophobicContact CD2-CD1 4.11Å; L76-Y118 HydrophobicContact CD2-CE1 4.46Å; P77-Y118 HydrophobicContact CB-CE2 4.38Å; P77-Y118 VanDerWaalsContact CD-CZ 3.41Å; P77-Y118 HydrophobicContact CG-CE1 3.96Å; P77-Y118 HydrophobicContact CG-CE2 3.78Å; P77-Y118 VanDerWaalsContact CG-CZ 3.45Å; P77-Y118 WeakPolarHBondContact CG-OH 3.45Å; I84-Y118 HydrophobicContact CD1-CD2 3.63Å; I84-Y118 HydrophobicContact CD1-CG 4.22Å; H115-Y118 PolarHBondContact O-N 3.29Å; Y118-T120 VanDerWaalsContact C-N 3.34Å; Y118-T120 PolarHBondContact O-N 3.1Å; Y118-N121 PolarHBondContact O-N 2.79Å; Y118-F122 WeakPolarHBondContact O-CB 3.24Å; Y118-F122 PolarHBondContact O-N 3.08Å
119	I	98.4	Very high	97.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.4	-38.4	-179.3	-168.2	66.1	0	0	0	111.6	V74 L76 H115 E116 F122 V123 V137 Y166 F168	V74-I119 HydrophobicContact CG2-CD1 4.46Å; L76-I119 HydrophobicContact CD1-CB 3.84Å; L76-I119 HydrophobicContact CD1-CD1 3.88Å; L76-I119 HydrophobicContact CD1-CG1 4.33Å; L76-I119 HydrophobicContact CD2-CD1 3.92Å; L76-I119 HydrophobicContact CG-CD1 4.46Å; H115-I119 WeakPolarHBondContact O-CG2 3.23Å; H115-I119 PolarHBondContact O-N 2.75Å; E116-I119 WeakPolarHBondContact O-CG2 2.81Å; I119-F122 HydrophobicContact CD1-CD1 3.96Å; I119-F122 PolarHBondContact O-N 3.42Å; I119-V123 HydrophobicContact CD1-CG2 4.35Å; I119-V123 HydrophobicContact CG1-CG2 4.33Å; I119-V123 WeakPolarHBondContact O-CB 3.37Å; I119-V123 WeakPolarHBondContact O-CG2 3.25Å; I119-V123 PolarHBondContact O-N 3.34Å; I119-V137 HydrophobicContact CD1-CB 4.49Å; I119-V137 HydrophobicContact CD1-CG2 3.66Å; I119-V137 HydrophobicContact CG1-CG2 3.85Å; I119-Y166 HydrophobicContact CB-CD2 4.01Å; I119-Y166 HydrophobicContact CB-CE2 4.34Å; I119-Y166 HydrophobicContact CB-CG 4.27Å; I119-Y166 HydrophobicContact CG1-CD2 3.9Å; I119-Y166 HydrophobicContact CG1-CG 4.11Å; I119-Y166 HydrophobicContact CG2-CD1 3.71Å; I119-Y166 HydrophobicContact CG2-CD2 3.69Å; I119-Y166 HydrophobicContact CG2-CE1 4.04Å; I119-Y166 HydrophobicContact CG2-CE2 4Å; I119-Y166 HydrophobicContact CG2-CG 3.52Å; I119-F168 HydrophobicContact CG1-CE2 4.19Å; I119-F168 HydrophobicContact CG1-CZ 4.16Å; I119-F168 HydrophobicContact CG2-CZ 4.37Å
120	T	98.5	Very high	97.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.6	-45	177.5	-53.5	0	0	0	0	110.5	E116 Y118 F122 V123 A124 F278 A280 M293	E116-T120 VanDerWaalsContact O-CB 3.22Å; E116-T120 WeakPolarHBondContact O-CB 3.34Å; E116-T120 PolarHBondContact O-N 3.36Å; E116-T120 VanDerWaalsContact O-N 3.12Å; E116-T120 PolarHBondContact O-OG1 3.22Å; Y118-T120 VanDerWaalsContact C-N 3.34Å; Y118-T120 PolarHBondContact O-N 3.1Å; T120-F122 VanDerWaalsContact C-N 3.34Å; T120-F122 PolarHBondContact O-N 2.87Å; T120-V123 PolarHBondContact O-N 2.94Å; T120-A124 WeakPolarHBondContact O-CB 3.15Å; T120-A124 PolarHBondContact O-N 3.4Å; T120-F278 HydrophobicContact CG2-CB 3.86Å; T120-F278 HydrophobicContact CG2-CD2 3.82Å; T120-F278 HydrophobicContact CG2-CG 4.17Å; T120-A280 HydrophobicContact CG2-CB 3.58Å; T120-M293 HydrophobicContact CG2-CE 4.31Å; T120-M293 HydrophobicContact CG2-SD 3.84Å; T120-M293 WeakPolarHBondContact OG1-CE 3.32Å
121	N	97.9	Very high	97.5	Very high	47 Å²	47	42.2 Å²	42.2	25%	0.251	21%	0.213	S	C	.	.	H	α-helix	trans	-62	-40.7	175.7	-171.7	73.8	0	0	0	112.1	E117 Y118 C125 F278	E117-N121 WeakPolarHBondContact O-CB 3.33Å; E117-N121 PolarHBondContact O-N 2.81Å; Y118-N121 PolarHBondContact O-N 2.79Å; N121-C125 PolarHBondContact O-N 3.47Å; N121-C125 PolarHBondContact O-SG 3.28Å; N121-F278 HydrophobicContact CB-CD1 3.69Å; N121-F278 HydrophobicContact CB-CE1 4.07Å; N121-F278 HydrophobicContact CB-CG 4.32Å
122	F	98	Very high	97.5	Very high	83 Å²	83	42.9 Å²	42.9	36%	0.364	22%	0.221	S	C	.	.	H	α-helix	trans	-62.9	-49.3	175.9	173.2	-120.8	0	0	0	111.9	Y118 I119 T120 A124 C125 L126	Y118-F122 WeakPolarHBondContact O-CB 3.24Å; Y118-F122 PolarHBondContact O-N 3.08Å; I119-F122 HydrophobicContact CD1-CD1 3.96Å; I119-F122 PolarHBondContact O-N 3.42Å; T120-F122 VanDerWaalsContact C-N 3.34Å; T120-F122 PolarHBondContact O-N 2.87Å; F122-A124 VanDerWaalsContact C-N 3.35Å; F122-A124 PolarHBondContact O-N 2.79Å; F122-C125 WeakPolarHBondContact O-CB 3.46Å; F122-C125 PolarHBondContact O-N 2.9Å; F122-L126 HydrophobicContact CE1-CD1 4.47Å; F122-L126 HydrophobicContact CE2-CD2 4.33Å; F122-L126 HydrophobicContact CZ-CD2 4.37Å
123	V	98.1	Very high	97.5	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.012	23%	0.227	C	C	.	.	H	α-helix	trans	-67.2	-34.9	-179.1	171	0	0	0	0	112	I119 T120 C125 L126 L128 F168 M291	I119-V123 HydrophobicContact CD1-CG2 4.35Å; I119-V123 HydrophobicContact CG1-CG2 4.33Å; I119-V123 WeakPolarHBondContact O-CB 3.37Å; I119-V123 WeakPolarHBondContact O-CG2 3.25Å; I119-V123 PolarHBondContact O-N 3.34Å; T120-V123 PolarHBondContact O-N 2.94Å; V123-C125 PolarHBondContact O-N 3.44Å; V123-L126 WeakPolarHBondContact O-CB 3.21Å; V123-L126 PolarHBondContact O-N 2.61Å; V123-L128 HydrophobicContact CG1-CD1 3.85Å; V123-F168 HydrophobicContact CB-CD1 4.45Å; V123-F168 HydrophobicContact CB-CE1 3.96Å; V123-F168 HydrophobicContact CB-CE2 4.18Å; V123-F168 HydrophobicContact CB-CZ 3.82Å; V123-F168 HydrophobicContact CG1-CD1 3.88Å; V123-F168 HydrophobicContact CG1-CD2 4.21Å; V123-F168 HydrophobicContact CG1-CE1 3.9Å; V123-F168 HydrophobicContact CG1-CE2 4.26Å; V123-F168 HydrophobicContact CG1-CG 4.04Å; V123-F168 HydrophobicContact CG1-CZ 4.09Å; V123-F168 HydrophobicContact CG2-CD2 4.21Å; V123-F168 HydrophobicContact CG2-CE1 4.32Å; V123-F168 HydrophobicContact CG2-CE2 3.63Å; V123-F168 HydrophobicContact CG2-CZ 3.68Å; V123-M291 HydrophobicContact CG1-CE 3.86Å; V123-M291 HydrophobicContact CG1-SD 4.13Å
124	A	97.7	Very high	97.6	Very high	18 Å²	18	46.9 Å²	46.9	15%	0.149	25%	0.245	C	C	.	.	H	α-helix	trans	-55.7	-37	173	0	0	0	0	0	112.3	T120 F122 L126 A280	T120-A124 WeakPolarHBondContact O-CB 3.15Å; T120-A124 PolarHBondContact O-N 3.4Å; F122-A124 VanDerWaalsContact C-N 3.35Å; F122-A124 PolarHBondContact O-N 2.79Å; A124-L126 PolarHBondContact O-N 3.43Å; A124-A280 HydrophobicContact CB-CB 3.81Å
125	C	97.3	Very high	97.7	Very high	85 Å²	85	47.2 Å²	47.2	57%	0.574	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-15.9	179.6	-63.1	0	0	0	0	113.9	N121 F122 V123 N127	N121-C125 PolarHBondContact O-N 3.47Å; N121-C125 PolarHBondContact O-SG 3.28Å; F122-C125 WeakPolarHBondContact O-CB 3.46Å; F122-C125 PolarHBondContact O-N 2.9Å; V123-C125 PolarHBondContact O-N 3.44Å; C125-N127 VanDerWaalsContact C-N 3.29Å; C125-N127 PolarHBondContact O-N 3.04Å; C125-N127 PolarHBondContact O-ND2 2.78Å
126	L	96.9	Very high	97.7	Very high	83 Å²	83	47.5 Å²	47.5	44%	0.435	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-9.2	-176.6	-59	-179.7	0	0	0	113.6	F122 V123 A124 L128	F122-L126 HydrophobicContact CE1-CD1 4.47Å; F122-L126 HydrophobicContact CE2-CD2 4.33Å; F122-L126 HydrophobicContact CZ-CD2 4.37Å; V123-L126 WeakPolarHBondContact O-CB 3.21Å; V123-L126 PolarHBondContact O-N 2.61Å; A124-L126 PolarHBondContact O-N 3.43Å; L126-L128 VanDerWaalsContact C-N 3.28Å; L126-L128 HydrophobicContact CB-CD2 3.76Å; L126-L128 HydrophobicContact CB-CG 4Å; L126-L128 HydrophobicContact CD1-CD2 4.44Å; L126-L128 PolarHBondContact O-N 2.83Å
127	N	93.5	Very high	97.7	Very high	109 Å²	109	47.7 Å²	47.7	58%	0.583	25%	0.251	S	S	*	.			trans	49.9	46.6	177.8	-68.5	-64.2	0	0	0	113.4	C125 R283	C125-N127 VanDerWaalsContact C-N 3.29Å; C125-N127 PolarHBondContact O-N 3.04Å; C125-N127 PolarHBondContact O-ND2 2.78Å; N127-R283 PolarHBondContact O-NE 2.85Å; N127-R283 PolarHBondContact O-NH2 3.11Å
128	L	97.6	Very high	97.8	Very high	24 Å²	24	47.9 Å²	47.9	13%	0.126	25%	0.251	C	S	.	.			trans	-60.6	155	-173.4	-60.8	-179	0	0	0	112.4	V123 L126 L133 V135 Y282 R283 M291	V123-L128 HydrophobicContact CG1-CD1 3.85Å; L126-L128 VanDerWaalsContact C-N 3.28Å; L126-L128 HydrophobicContact CB-CD2 3.76Å; L126-L128 HydrophobicContact CB-CG 4Å; L126-L128 HydrophobicContact CD1-CD2 4.44Å; L126-L128 PolarHBondContact O-N 2.83Å; L128-L133 HydrophobicContact CD1-CD2 4.31Å; L128-V135 HydrophobicContact CD1-CG2 3.86Å; L128-Y282 WeakPolarHBondContact O-CA 3.3Å; L128-R283 PolarHBondContact O-N 3.29Å; L128-M291 HydrophobicContact CD1-SD 4.23Å
129	S	97.7	Very high	97.8	Very high	33 Å²	33	44.7 Å²	44.7	23%	0.231	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-104.8	160.5	169.5	81.1	0	0	0	0	110.1	K131 S132	S129-K131 PolarHBondContact O-N 3.12Å; S129-K131 PolarHBondContact OG-N 3.25Å; S129-S132 WeakPolarHBondContact O-CB 3.47Å; S129-S132 PolarHBondContact O-N 3.43Å
130	Y	97.3	Very high	97.8	Very high	109 Å²	109	45.3 Å²	45.3	43%	0.427	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-55	-25.7	175.5	79.6	-83.3	0	0	0	113.5	S132 L133 R283 P285	Y130-S132 PolarHBondContact O-N 2.99Å; Y130-L133 PolarHBondContact O-N 3.32Å; Y130-R283 PolarHBondContact N-O 3.47Å; Y130-P285 HydrophobicContact CE1-CG 4.13Å
131	K	97.6	Very high	97.8	Very high	160 Å²	160	46 Å²	46	70%	0.696	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-71	-18.1	177.7	-60.9	-177.6	178.6	179.8	0	113.4	S129	S129-K131 PolarHBondContact O-N 3.12Å; S129-K131 PolarHBondContact OG-N 3.25Å
132	S	97.4	Very high	97.8	Very high	57 Å²	57	45.4 Å²	45.4	40%	0.399	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-86.6	-12.1	178.8	-54.6	0	0	0	0	112.3	S129 Y130 V135	S129-S132 WeakPolarHBondContact O-CB 3.47Å; S129-S132 PolarHBondContact O-N 3.43Å; Y130-S132 PolarHBondContact O-N 2.99Å; S132-V135 WeakPolarHBondContact O-CG2 3.48Å
133	L	98.3	Very high	97.8	Very high	26 Å²	26	41.5 Å²	41.5	14%	0.136	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-91.9	146.6	-174.7	-58.2	179.5	0	0	0	111.6	L128 Y130 V135 F168 A170 Y282 M291	L128-L133 HydrophobicContact CD1-CD2 4.31Å; Y130-L133 PolarHBondContact O-N 3.32Å; L133-V135 HydrophobicContact CD2-CG2 4.19Å; L133-F168 HydrophobicContact CD2-CB 4.36Å; L133-F168 WeakPolarHBondContact CD2-O 3.33Å; L133-A170 HydrophobicContact CD1-CB 3.93Å; L133-Y282 HydrophobicContact CD1-CD1 3.59Å; L133-Y282 HydrophobicContact CD1-CD2 3.92Å; L133-Y282 HydrophobicContact CD1-CE1 3.99Å; L133-Y282 HydrophobicContact CD1-CE2 4.31Å; L133-Y282 HydrophobicContact CD1-CG 3.54Å; L133-M291 HydrophobicContact CD1-CG 4.4Å; L133-M291 HydrophobicContact CD2-SD 4.07Å
134	P	98.3	Very high	97.7	Very high	59 Å²	59	42.9 Å²	42.9	38%	0.383	24%	0.235	S	C	.	.	S	Bend	cis	-76.7	145.2	-0.6	32.9	-35.7	0	0	0	112.8	L136 F168 D169	P134-L136 HydrophobicContact CB-CD1 3.91Å; P134-L136 HydrophobicContact CG-CD1 4.04Å; P134-F168 CarbonylContact C-O 3.52Å; P134-F168 VanDerWaalsContact CA-O 3.23Å; P134-F168 WeakPolarHBondContact CA-O 3.48Å; P134-D169 WeakPolarHBondContact CB-OD1 3.27Å
135	V	98.4	Very high	97.7	Very high	21 Å²	21	45.9 Å²	45.9	13%	0.127	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.6	169.6	171.3	0	0	0	0	108.8	L128 S132 L133 V137 T167 F168	L128-V135 HydrophobicContact CD1-CG2 3.86Å; S132-V135 WeakPolarHBondContact O-CG2 3.48Å; L133-V135 HydrophobicContact CD2-CG2 4.19Å; V135-V137 HydrophobicContact CG1-CG1 3.88Å; V135-T167 CarbonylContact O-C 3.52Å; V135-T167 WeakPolarHBondContact O-CA 3.44Å; V135-F168 HydrophobicContact CB-CB 4.44Å; V135-F168 PolarHBondContact N-O 2.93Å; V135-F168 PolarHBondContact O-N 3.06Å
136	L	98.8	Very high	97.6	Very high	7 Å²	7	44.9 Å²	44.9	4%	0.037	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.8	175.5	-70	76.6	0	0	0	108.1	L69 A71 Q72 P134 I165 Y166 T167 T178 V182	L69-L136 HydrophobicContact CB-CD2 4.11Å; A71-L136 CarbonylContact C-O 3.59Å; A71-L136 VanDerWaalsContact CA-O 3.3Å; A71-L136 WeakPolarHBondContact CA-O 3.47Å; A71-L136 HydrophobicContact CB-CB 3.7Å; Q72-L136 PolarHBondContact N-O 3.39Å; P134-L136 HydrophobicContact CB-CD1 3.91Å; P134-L136 HydrophobicContact CG-CD1 4.04Å; L136-I165 HydrophobicContact CB-CD1 4.37Å; L136-I165 HydrophobicContact CD2-CD1 4.32Å; L136-Y166 WeakPolarHBondContact CA-O 3.39Å; L136-T167 HydrophobicContact CD2-CG2 4.23Å; L136-T167 HydrophobicContact CG-CG2 3.8Å; L136-T178 HydrophobicContact CD1-CG2 4.26Å; L136-T178 HydrophobicContact CD2-CG2 4.22Å; L136-T178 HydrophobicContact CG-CG2 4.3Å; L136-V182 HydrophobicContact CD2-CG2 4.5Å
137	V	98.6	Very high	97.5	Very high	11 Å²	11	42 Å²	42	7%	0.067	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	135.6	-178.8	-71.9	0	0	0	0	109.9	Q72 V74 I119 V135 I165 Y166 F168	Q72-V137 CarbonylContact O-C 3.51Å; Q72-V137 VanDerWaalsContact O-CA 3.3Å; Q72-V137 WeakPolarHBondContact O-CA 3.41Å; V74-V137 HydrophobicContact CG1-CG1 4.48Å; I119-V137 HydrophobicContact CD1-CB 4.49Å; I119-V137 HydrophobicContact CD1-CG2 3.66Å; I119-V137 HydrophobicContact CG1-CG2 3.85Å; V135-V137 HydrophobicContact CG1-CG1 3.88Å; V137-I165 WeakPolarHBondContact O-CA 3.34Å; V137-Y166 PolarHBondContact N-O 3.46Å; V137-Y166 PolarHBondContact O-N 3.48Å; V137-F168 HydrophobicContact CG2-CE2 4.05Å
138	Y	98.8	Very high	97.4	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	162.5	-175.2	82.3	-80.9	0	0	0	112.3	D63 M66 A71 Q72 R73 V74 I140 Q163 D164	D63-Y138 VanDerWaalsContact OD1-CE2 3.25Å; D63-Y138 WeakPolarHBondContact OD1-CE2 3.21Å; D63-Y138 PolarHBondContact OD1-OH 3.12Å; M66-Y138 HydrophobicContact CB-CD1 3.78Å; M66-Y138 HydrophobicContact CB-CD2 4.09Å; M66-Y138 HydrophobicContact CB-CE1 3.6Å; M66-Y138 HydrophobicContact CB-CE2 3.93Å; M66-Y138 HydrophobicContact CB-CG 4.01Å; M66-Y138 HydrophobicContact CG-CD1 4.28Å; M66-Y138 HydrophobicContact CG-CD2 3.82Å; M66-Y138 HydrophobicContact CG-CE1 4.4Å; M66-Y138 HydrophobicContact CG-CE2 3.96Å; M66-Y138 HydrophobicContact CG-CG 3.98Å; A71-Y138 HydrophobicContact CB-CD1 3.76Å; A71-Y138 HydrophobicContact CB-CE1 4.34Å; Q72-Y138 PolarHBondContact O-N 2.92Å; R73-Y138 CarbonylContact C-O 3.53Å; R73-Y138 VanDerWaalsContact CA-O 3.28Å; R73-Y138 WeakPolarHBondContact CA-O 3.46Å; R73-Y138 HydrophobicContact CB-CD1 4.3Å; R73-Y138 HydrophobicContact CB-CE1 3.66Å; R73-Y138 HydrophobicContact CB-CE2 4.22Å; R73-Y138 HydrophobicContact CG-CD2 4.43Å; R73-Y138 HydrophobicContact CG-CE1 4.27Å; R73-Y138 HydrophobicContact CG-CE2 3.91Å; V74-Y138 PolarHBondContact N-O 2.86Å; Y138-I140 HydrophobicContact CD2-CG1 4.49Å; Y138-I140 HydrophobicContact CE2-CG1 4.4Å; Y138-Q163 HydrophobicContact CD2-CG 4.19Å; Y138-D164 CarbonylContact C-O 3.48Å; Y138-D164 WeakPolarHBondContact CA-O 3.44Å; Y138-D164 VanDerWaalsContact CB-O 3.23Å; Y138-D164 WeakPolarHBondContact CB-O 3.39Å
139	Q	98.5	Very high	97.2	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	160.1	170.6	64.6	177.6	-12.8	0	0	109.9	V74 H115 T141 K143 Q163 D164	V74-Q139 WeakPolarHBondContact O-CB 3.48Å; H115-Q139 PolarHBondContact CD2-NE2 2.85Å; H115-Q139 PolarHBondContact ND1-NE2 2.7Å; H115-Q139 PolarHBondContact NE2-NE2 2.85Å; Q139-T141 HydrophobicContact CB-CG2 4.42Å; Q139-T141 HydrophobicContact CG-CG2 4.47Å; Q139-K143 VanDerWaalsContact NE2-NZ 3.17Å; Q139-Q163 CarbonylContact O-C 3.59Å; Q139-Q163 VanDerWaalsContact O-CA 3.23Å; Q139-Q163 WeakPolarHBondContact O-CA 3.21Å; Q139-D164 PolarHBondContact N-O 3.42Å; Q139-D164 PolarHBondContact NE2-OD2 2.85Å; Q139-D164 PolarHBondContact O-N 3.33Å
140	I	98.5	Very high	97	Very high	12 Å²	12	44.6 Å²	44.6	6%	0.062	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	112.7	167.5	-47.7	-174.9	0	0	0	107	E59 V62 Y138 M162 Q163 I300	E59-I140 HydrophobicContact CB-CD1 4.14Å; E59-I140 HydrophobicContact CG-CD1 4.11Å; E59-I140 HydrophobicContact CG-CG2 4.09Å; V62-I140 HydrophobicContact CB-CD1 4.27Å; V62-I140 HydrophobicContact CG1-CD1 3.98Å; Y138-I140 HydrophobicContact CD2-CG1 4.49Å; Y138-I140 HydrophobicContact CE2-CG1 4.4Å; I140-M162 WeakPolarHBondContact CA-O 3.29Å; I140-Q163 HydrophobicContact CD1-CB 4.3Å; I140-Q163 HydrophobicContact CD1-CG 4.29Å; I140-Q163 HydrophobicContact CG1-CB 3.82Å; I140-Q163 HydrophobicContact CG1-CG 3.8Å; I140-I300 HydrophobicContact CG2-CG1 3.84Å
141	T	98.1	Very high	96.8	Very high	16 Å²	16	44.5 Å²	44.5	10%	0.098	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	164	-171.5	49.5	0	0	0	0	111.1	L75 Q139 K143 M162	L75-T141 HydrophobicContact CD1-CG2 3.55Å; Q139-T141 HydrophobicContact CB-CG2 4.42Å; Q139-T141 HydrophobicContact CG-CG2 4.47Å; T141-K143 PolarHBondContact OG1-NZ 3.1Å; T141-M162 PolarHBondContact N-O 2.84Å; T141-M162 VanDerWaalsContact N-O 3.13Å; T141-M162 PolarHBondContact O-N 3.42Å; T141-M162 VanDerWaalsContact O-N 3.07Å
142	S	97.9	Very high	96.6	Very high	34 Å²	34	38.5 Å²	38.5	24%	0.238	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	135.7	169.3	-66.3	0	0	0	0	111	E159 F160	S142-E159 PolarHBondContact OG-OE1 2.86Å; S142-F160 CarbonylContact C-O 3.58Å; S142-F160 WeakPolarHBondContact CA-O 3.36Å
143	K	97.9	Very high	96.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	149.3	171.5	-55.9	-53.8	178.8	-159.6	0	109.7	H115 Q139 T141 E159 F160 M162 D164	H115-K143 PolarHBondContact CE1-NZ 3.07Å; H115-K143 PolarHBondContact ND1-NZ 2.77Å; Q139-K143 VanDerWaalsContact NE2-NZ 3.17Å; T141-K143 PolarHBondContact OG1-NZ 3.1Å; K143-E159 WeakPolarHBondContact O-CA 3.15Å; K143-F160 HydrophobicContact CB-CD2 4.16Å; K143-F160 HydrophobicContact CB-CE1 4.05Å; K143-F160 HydrophobicContact CB-CE2 3.65Å; K143-F160 HydrophobicContact CB-CZ 3.56Å; K143-F160 HydrophobicContact CG-CE2 4.02Å; K143-F160 HydrophobicContact CG-CZ 4.34Å; K143-F160 PolarHBondContact N-O 2.83Å; K143-F160 PolarHBondContact O-N 2.78Å; K143-F160 VanDerWaalsContact O-N 3.1Å; K143-M162 HydrophobicContact CD-CE 4.38Å; K143-M162 HydrophobicContact CG-CB 3.55Å; K143-M162 HydrophobicContact CG-CE 3.98Å; K143-M162 HydrophobicContact CG-SD 4.47Å; K143-D164 WeakPolarHBondContact CE-OD1 3.36Å; K143-D164 WeakPolarHBondContact CE-OD2 3.26Å; K143-D164 IonicContact NZ-OD1 3.52Å; K143-D164 IonicContact NZ-OD2 3.58Å; K143-D164 PolarHBondContact NZ-OD2 3.41Å
144	F	97.6	Very high	96.2	Very high	32 Å²	32	35 Å²	35	14%	0.14	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	120.1	-174.1	-62.6	-92.3	0	0	0	109.3	T78 F99 L111 P113 R158 E159	T78-F144 HydrophobicContact CG2-CD2 3.7Å; T78-F144 HydrophobicContact CG2-CE2 3.37Å; T78-F144 HydrophobicContact CG2-CZ 4.36Å; F99-F144 HydrophobicContact CD2-CB 3.88Å; F99-F144 HydrophobicContact CE2-CB 4.42Å; L111-F144 HydrophobicContact CB-CB 3.45Å; L111-F144 VanDerWaalsContact CB-CB 3.45Å; L111-F144 HydrophobicContact CB-CD1 4.4Å; L111-F144 HydrophobicContact CB-CD2 3.9Å; L111-F144 HydrophobicContact CB-CG 3.66Å; L111-F144 HydrophobicContact CD1-CB 4.18Å; L111-F144 HydrophobicContact CD1-CD1 3.77Å; L111-F144 HydrophobicContact CD1-CE1 4.31Å; L111-F144 HydrophobicContact CD1-CG 3.9Å; L111-F144 HydrophobicContact CG-CB 4.47Å; L111-F144 HydrophobicContact CG-CG 4.38Å; P113-F144 VanDerWaalsContact CA-O 3.31Å; P113-F144 WeakPolarHBondContact CA-O 3.38Å; P113-F144 VanDerWaalsContact CB-O 3.29Å; P113-F144 WeakPolarHBondContact CB-O 3.45Å; F144-R158 CarbonylContact C-O 3.55Å; F144-R158 VanDerWaalsContact CA-O 3.26Å; F144-R158 WeakPolarHBondContact CA-O 3.28Å; F144-E159 HydrophobicContact CD1-CB 4.2Å; F144-E159 HydrophobicContact CD1-CG 4.19Å; F144-E159 HydrophobicContact CE1-CB 4.04Å; F144-E159 VanDerWaalsContact CE1-CD 3.5Å; F144-E159 HydrophobicContact CE1-CG 3.66Å; F144-E159 HydrophobicContact CZ-CG 3.99Å
145	R	96	Very high	96.1	Very high	80 Å²	80	32.6 Å²	32.6	30%	0.302	17%	0.165	S	C	.	.			trans	-126.3	130.6	174.7	-67.5	-179.1	-175.5	173.9	6.1	108.3	F99 P113 E147 R158 F160	F99-R145 WeakPolarHBondContact CE2-O 3.18Å; P113-R145 HydrophobicContact CB-CG 3.78Å; R145-E147 PolarHBondContact O-N 2.91Å; R145-R158 PolarHBondContact N-O 2.85Å; R145-R158 VanDerWaalsContact O-CA 3.27Å; R145-R158 WeakPolarHBondContact O-CA 3.37Å; R145-F160 HydrophobicContact CB-CE1 4.3Å; R145-F160 HydrophobicContact CG-CE1 3.84Å; R145-F160 HydrophobicContact CG-CZ 4.1Å
146	D	95.7	Very high	96	Very high	64 Å²	64	35.5 Å²	35.5	34%	0.342	17%	0.174	S	C	.	.			trans	-73.5	66.5	174	-166.3	10.1	0	0	0	109.8	S97 F99 P148	S97-D146 PolarHBondContact O-N 2.98Å; F99-D146 HydrophobicContact CD1-CB 4.1Å; F99-D146 HydrophobicContact CD2-CB 4.31Å; F99-D146 HydrophobicContact CE1-CB 4.01Å; F99-D146 HydrophobicContact CE2-CB 4.3Å; F99-D146 HydrophobicContact CG-CB 4.25Å; F99-D146 HydrophobicContact CZ-CB 4.13Å; D146-P148 VanDerWaalsContact O-CD 3.27Å; D146-P148 WeakPolarHBondContact O-CD 3.46Å
147	E	94.6	Very high	95.8	Very high	22 Å²	22	35.6 Å²	35.6	10%	0.103	18%	0.176	C	C	.	.			trans	-74.4	114.7	-175.9	173.5	53.2	-113.5	0	0	109.1	R145 H149 P150 R156 R158	R145-E147 PolarHBondContact O-N 2.91Å; E147-H149 VanDerWaalsContact C-N 3.28Å; E147-H149 PolarHBondContact O-N 3.05Å; E147-H149 PolarHBondContact OE1-N 3.3Å; E147-P150 HydrophobicContact CB-CG 4.28Å; E147-P150 HydrophobicContact CG-CB 4.33Å; E147-P150 HydrophobicContact CG-CG 3.91Å; E147-P150 WeakPolarHBondContact O-CD 3.24Å; E147-R156 HydrophobicContact CG-CG 4.14Å; E147-R156 IonicContact OE1-NE 2.81Å; E147-R156 IonicContact OE1-NH2 3.69Å; E147-R156 IonicContact OE2-CZ 3.59Å; E147-R156 VanDerWaalsContact OE2-CZ 3.23Å; E147-R156 IonicContact OE2-NE 3.34Å; E147-R156 PolarHBondContact OE2-NE 2.86Å; E147-R156 IonicContact OE2-NH2 3.65Å; E147-R156 PolarHBondContact OE2-NH2 2.98Å; E147-R158 HydrophobicContact CB-CG 4.05Å; E147-R158 PolarHBondContact O-NE 2.79Å; E147-R158 VanDerWaalsContact O-NE 3.08Å
148	P	92.3	Very high	95.7	Very high	82 Å²	82	38.2 Å²	38.2	53%	0.532	19%	0.185	S	C	.	.	S	Bend	trans	-67.4	-30.1	-178.7	26.6	-36.2	0	0	0	112.4	D146	D146-P148 VanDerWaalsContact O-CD 3.27Å; D146-P148 WeakPolarHBondContact O-CD 3.46Å
149	H	92.1	Very high	95.7	Very high	123 Å²	123	41.4 Å²	41.4	57%	0.569	20%	0.2	S	C	*	.	S	Bend	trans	-131.9	67.3	-173.7	-57.3	-51.6	0	0	0	112.7	E147 K151	E147-H149 VanDerWaalsContact C-N 3.28Å; E147-H149 PolarHBondContact O-N 3.05Å; E147-H149 PolarHBondContact OE1-N 3.3Å; H149-K151 WeakPolarHBondContact O-CG 3.39Å; H149-K151 PolarHBondContact O-N 3.06Å
150	P	93.7	Very high	95.6	Very high	16 Å²	16	42.2 Å²	42.2	10%	0.104	20%	0.204	C	C	.	.			trans	-62.2	134.6	174.6	-16.7	30.8	0	0	0	110.5	T42 G43 E147 R156 R158	T42-P150 HydrophobicContact CG2-CB 3.89Å; T42-P150 HydrophobicContact CG2-CG 3.92Å; G43-P150 VanDerWaalsContact CA-CB 3.45Å; E147-P150 HydrophobicContact CB-CG 4.28Å; E147-P150 HydrophobicContact CG-CB 4.33Å; E147-P150 HydrophobicContact CG-CG 3.91Å; E147-P150 WeakPolarHBondContact O-CD 3.24Å; P150-R156 CarbonylContact C-O 3.6Å; P150-R156 VanDerWaalsContact CA-O 3.23Å; P150-R156 WeakPolarHBondContact CA-O 3.32Å; P150-R156 VanDerWaalsContact CB-O 3.28Å; P150-R156 WeakPolarHBondContact CB-O 3.43Å; P150-R158 HydrophobicContact CG-CG 3.86Å
151	K	92.9	Very high	95.6	Very high	107 Å²	107	42.9 Å²	42.9	47%	0.465	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-146	157.8	-171.6	-75.1	177.5	-174.2	172.3	0	111.4	H149 G153 R156	H149-K151 WeakPolarHBondContact O-CG 3.39Å; H149-K151 PolarHBondContact O-N 3.06Å; K151-G153 VanDerWaalsContact C-N 3.27Å; K151-G153 PolarHBondContact O-N 2.85Å; K151-R156 PolarHBondContact N-O 3.16Å; K151-R156 PolarHBondContact O-N 3.32Å
152	H	93.8	Very high	95.6	Very high	34 Å²	34	42.8 Å²	42.8	16%	0.157	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	33.9	173.2	-49.5	125.4	0	0	0	114.6	C25 L154 V155 I221	C25-H152 HydrophobicContact CB-CB 3.99Å; H152-L154 PolarHBondContact O-N 3.36Å; H152-V155 HydrophobicContact CB-CB 3.95Å; H152-V155 HydrophobicContact CB-CG2 4.1Å; H152-V155 WeakPolarHBondContact O-CG2 3.42Å; H152-V155 PolarHBondContact O-N 3.38Å; H152-I221 HydrophobicContact CB-CD1 4.37Å; H152-I221 PolarHBondContact CE1-O 3.29Å; H152-I221 PolarHBondContact ND1-O 2.89Å
153	G	92.4	Very high	95.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	-121.6	174.9	0	0	0	0	0	112.4	Q28 Y45 K151 V155	Q28-G153 VanDerWaalsContact CD-N 3.29Å; Y45-G153 VanDerWaalsContact CE2-O 3.28Å; Y45-G153 WeakPolarHBondContact CE2-O 3.46Å; Y45-G153 WeakPolarHBondContact OH-CA 3.25Å; K151-G153 VanDerWaalsContact C-N 3.27Å; K151-G153 PolarHBondContact O-N 2.85Å; G153-V155 PolarHBondContact O-N 3.27Å
154	L	96.1	Very high	95.7	Very high	9 Å²	9	41.3 Å²	41.3	5%	0.047	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-3.2	-176.8	-45.7	-177.6	0	0	0	113.4	L31 I37 Y45 F47 H152 R302 A305	L31-L154 HydrophobicContact CD1-CD1 4.26Å; I37-L154 HydrophobicContact CD1-CD2 4.25Å; I37-L154 HydrophobicContact CD1-CG 4.4Å; I37-L154 HydrophobicContact CG2-CD1 4.4Å; Y45-L154 HydrophobicContact CD1-CD2 4.12Å; Y45-L154 HydrophobicContact CD2-CD2 3.59Å; Y45-L154 HydrophobicContact CE2-CD2 4.18Å; Y45-L154 HydrophobicContact CG-CD2 3.58Å; F47-L154 HydrophobicContact CE1-CD1 3.83Å; F47-L154 HydrophobicContact CE1-CD2 3.67Å; F47-L154 HydrophobicContact CE1-CG 4.39Å; F47-L154 HydrophobicContact CZ-CD2 4.33Å; H152-L154 PolarHBondContact O-N 3.36Å; L154-R302 WeakPolarHBondContact O-CA 3.32Å; L154-A305 HydrophobicContact CB-CB 3.86Å; L154-A305 HydrophobicContact CG-CB 4.5Å
155	V	96.4	Very high	95.7	Very high	10 Å²	10	39.8 Å²	39.8	6%	0.061	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-49.5	176.8	178.7	0	0	0	0	110	H152 G153 I221 I262 R302 A305	H152-V155 HydrophobicContact CB-CB 3.95Å; H152-V155 HydrophobicContact CB-CG2 4.1Å; H152-V155 WeakPolarHBondContact O-CG2 3.42Å; H152-V155 PolarHBondContact O-N 3.38Å; G153-V155 PolarHBondContact O-N 3.27Å; V155-I221 HydrophobicContact CG2-CD1 4.42Å; V155-I262 HydrophobicContact CG1-CD1 4.45Å; V155-I262 HydrophobicContact CG1-CG2 3.78Å; V155-R302 PolarHBondContact O-NE 3.41Å; V155-R302 PolarHBondContact O-NH2 3.25Å; V155-A305 HydrophobicContact CG2-CB 4.37Å
156	R	95.4	Very high	95.9	Very high	81 Å²	81	36.1 Å²	36.1	31%	0.306	18%	0.175	S	C	.	.	B	Isolated β-bridge	trans	-134.7	102.8	-179.2	-167.6	169.6	-172.1	132.7	8.7	110.4	E147 P150 K151 E223	E147-R156 HydrophobicContact CG-CG 4.14Å; E147-R156 IonicContact OE1-NE 2.81Å; E147-R156 IonicContact OE1-NH2 3.69Å; E147-R156 IonicContact OE2-CZ 3.59Å; E147-R156 VanDerWaalsContact OE2-CZ 3.23Å; E147-R156 IonicContact OE2-NE 3.34Å; E147-R156 PolarHBondContact OE2-NE 2.86Å; E147-R156 IonicContact OE2-NH2 3.65Å; E147-R156 PolarHBondContact OE2-NH2 2.98Å; P150-R156 CarbonylContact C-O 3.6Å; P150-R156 VanDerWaalsContact CA-O 3.23Å; P150-R156 WeakPolarHBondContact CA-O 3.32Å; P150-R156 VanDerWaalsContact CB-O 3.28Å; P150-R156 WeakPolarHBondContact CB-O 3.43Å; K151-R156 PolarHBondContact N-O 3.16Å; K151-R156 PolarHBondContact O-N 3.32Å; R156-E223 IonicContact CZ-OE2 2.93Å; R156-E223 IonicContact NE-OE2 2.82Å; R156-E223 IonicContact NH1-OE2 3.63Å; R156-E223 PolarHBondContact NH1-OE2 2.87Å
157	G	95.2	Very high	96	Very high	9 Å²	9	33 Å²	33	9%	0.093	16%	0.159	C	C	.	.			trans	-123.8	173.1	-177.2	0	0	0	0	0	113	G43	G43-G157 CarbonylContact O-C 3.59Å; G43-G157 WeakPolarHBondContact O-CA 3.09Å
158	R	96.9	Very high	96.2	Very high	66 Å²	66	32 Å²	32	25%	0.249	15%	0.154	C	C	.	.	S	Bend	trans	-88.4	-34.6	170.3	-71.6	171.1	178.2	169.7	-5.9	111.8	T42 G43 V44 F99 F144 R145 E147 P150	T42-R158 WeakPolarHBondContact O-CD 3.48Å; T42-R158 PolarHBondContact O-NH1 2.74Å; G43-R158 PolarHBondContact O-N 2.64Å; V44-R158 HydrophobicContact CG2-CB 4.25Å; F99-R158 HydrophobicContact CE2-CB 4.11Å; F99-R158 HydrophobicContact CZ-CB 4.06Å; F99-R158 HydrophobicContact CZ-CG 4.18Å; F144-R158 CarbonylContact C-O 3.55Å; F144-R158 VanDerWaalsContact CA-O 3.26Å; F144-R158 WeakPolarHBondContact CA-O 3.28Å; R145-R158 PolarHBondContact N-O 2.85Å; R145-R158 VanDerWaalsContact O-CA 3.27Å; R145-R158 WeakPolarHBondContact O-CA 3.37Å; E147-R158 HydrophobicContact CB-CG 4.05Å; E147-R158 PolarHBondContact O-NE 2.79Å; E147-R158 VanDerWaalsContact O-NE 3.08Å; P150-R158 HydrophobicContact CG-CG 3.86Å
159	E	97.1	Very high	96.5	Very high	71 Å²	71	28.1 Å²	28.1	33%	0.332	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132	170.3	-178.3	176.8	-179.4	0	0	109.3	G43 S142 K143 F144	G43-E159 PolarHBondContact O-N 2.99Å; S142-E159 PolarHBondContact OG-OE1 2.86Å; K143-E159 WeakPolarHBondContact O-CA 3.15Å; F144-E159 HydrophobicContact CD1-CB 4.2Å; F144-E159 HydrophobicContact CD1-CG 4.19Å; F144-E159 HydrophobicContact CE1-CB 4.04Å; F144-E159 VanDerWaalsContact CE1-CD 3.5Å; F144-E159 HydrophobicContact CE1-CG 3.66Å; F144-E159 HydrophobicContact CZ-CG 3.99Å
160	F	97.6	Very high	96.8	Very high	19 Å²	19	23.7 Å²	23.7	8%	0.083	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	156	180	57.9	-85.4	0	0	0	111.5	S142 K143 R145 M162 S301	S142-F160 CarbonylContact C-O 3.58Å; S142-F160 WeakPolarHBondContact CA-O 3.36Å; K143-F160 HydrophobicContact CB-CD2 4.16Å; K143-F160 HydrophobicContact CB-CE1 4.05Å; K143-F160 HydrophobicContact CB-CE2 3.65Å; K143-F160 HydrophobicContact CB-CZ 3.56Å; K143-F160 HydrophobicContact CG-CE2 4.02Å; K143-F160 HydrophobicContact CG-CZ 4.34Å; K143-F160 PolarHBondContact N-O 2.83Å; K143-F160 PolarHBondContact O-N 2.78Å; K143-F160 VanDerWaalsContact O-N 3.1Å; R145-F160 HydrophobicContact CB-CE1 4.3Å; R145-F160 HydrophobicContact CG-CE1 3.84Å; R145-F160 HydrophobicContact CG-CZ 4.1Å; F160-M162 HydrophobicContact CD2-CB 4.22Å; F160-M162 HydrophobicContact CE2-CB 4.03Å; F160-M162 HydrophobicContact CE2-SD 3.88Å; F160-S301 WeakPolarHBondContact CB-OG 3.35Å
161	L	98.1	Very high	97	Very high	25 Å²	25	24.6 Å²	24.6	13%	0.131	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.6	175.4	-70.2	174.7	0	0	0	109.9	F47 L55 G299 I300 S301	F47-L161 HydrophobicContact CE2-CD1 4.44Å; L55-L161 HydrophobicContact CD1-CD1 4.08Å; L55-L161 HydrophobicContact CD2-CD1 4.44Å; L161-G299 CarbonylContact O-C 3.5Å; L161-I300 HydrophobicContact CB-CB 4.11Å; L161-I300 PolarHBondContact O-N 2.75Å; L161-S301 PolarHBondContact N-OG 3.18Å; L161-S301 VanDerWaalsContact N-OG 3.16Å; L161-S301 PolarHBondContact O-N 2.71Å
162	M	98.6	Very high	97.2	Very high	14 Å²	14	21.3 Å²	21.3	7%	0.069	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.8	176.5	-166.4	165.1	82.8	0	0	110.1	I140 T141 K143 F160 D164 L298	I140-M162 WeakPolarHBondContact CA-O 3.29Å; T141-M162 PolarHBondContact N-O 2.84Å; T141-M162 VanDerWaalsContact N-O 3.13Å; T141-M162 PolarHBondContact O-N 3.42Å; T141-M162 VanDerWaalsContact O-N 3.07Å; K143-M162 HydrophobicContact CD-CE 4.38Å; K143-M162 HydrophobicContact CG-CB 3.55Å; K143-M162 HydrophobicContact CG-CE 3.98Å; K143-M162 HydrophobicContact CG-SD 4.47Å; F160-M162 HydrophobicContact CD2-CB 4.22Å; F160-M162 HydrophobicContact CE2-CB 4.03Å; F160-M162 HydrophobicContact CE2-SD 3.88Å; M162-D164 WeakPolarHBondContact CE-OD1 3.46Å; M162-L298 WeakPolarHBondContact CA-O 3.36Å; M162-L298 WeakPolarHBondContact CG-O 3.44Å
163	Q	98.7	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.5	162.7	-179.1	-94	-61.2	0	0	108.4	V62 Y138 Q139 I140 I165 Y186 G297 L298 I300	V62-Q163 HydrophobicContact CG1-CB 4.1Å; V62-Q163 HydrophobicContact CG1-CG 3.7Å; Y138-Q163 HydrophobicContact CD2-CG 4.19Å; Q139-Q163 CarbonylContact O-C 3.59Å; Q139-Q163 VanDerWaalsContact O-CA 3.23Å; Q139-Q163 WeakPolarHBondContact O-CA 3.21Å; I140-Q163 HydrophobicContact CD1-CB 4.3Å; I140-Q163 HydrophobicContact CD1-CG 4.29Å; I140-Q163 HydrophobicContact CG1-CB 3.82Å; I140-Q163 HydrophobicContact CG1-CG 3.8Å; Q163-I165 VanDerWaalsContact NE2-CB 3.3Å; Q163-Y186 PolarHBondContact OE1-OH 2.94Å; Q163-Y186 VanDerWaalsContact OE1-OH 3.1Å; Q163-G297 CarbonylContact O-C 3.58Å; Q163-G297 WeakPolarHBondContact O-CA 3.2Å; Q163-L298 HydrophobicContact CB-CB 4.31Å; Q163-L298 PolarHBondContact N-O 3.34Å; Q163-L298 PolarHBondContact O-N 3.13Å; Q163-I300 HydrophobicContact CB-CD1 3.98Å; Q163-I300 HydrophobicContact CB-CG1 4.15Å
164	D	98.1	Very high	97.7	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.016	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.5	166.9	-30.4	-97.7	0	0	0	108.8	Y138 Q139 K143 M162 Y166 Y296	Y138-D164 CarbonylContact C-O 3.48Å; Y138-D164 WeakPolarHBondContact CA-O 3.44Å; Y138-D164 VanDerWaalsContact CB-O 3.23Å; Y138-D164 WeakPolarHBondContact CB-O 3.39Å; Q139-D164 PolarHBondContact N-O 3.42Å; Q139-D164 PolarHBondContact NE2-OD2 2.85Å; Q139-D164 PolarHBondContact O-N 3.33Å; K143-D164 WeakPolarHBondContact CE-OD1 3.36Å; K143-D164 WeakPolarHBondContact CE-OD2 3.26Å; K143-D164 IonicContact NZ-OD1 3.52Å; K143-D164 IonicContact NZ-OD2 3.58Å; K143-D164 PolarHBondContact NZ-OD2 3.41Å; M162-D164 WeakPolarHBondContact CE-OD1 3.46Å; D164-Y166 HydrophobicContact CB-CD2 4.4Å; D164-Y166 HydrophobicContact CB-CE2 3.55Å; D164-Y296 CarbonylContact C-O 3.56Å; D164-Y296 WeakPolarHBondContact CA-O 3.36Å
165	I	98.8	Very high	97.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.4	168	178.7	168.6	0	0	0	108.3	M66 L69 A71 L136 V137 Q163 T167 V182 C295 Y296	M66-I165 HydrophobicContact SD-CB 4.23Å; M66-I165 HydrophobicContact SD-CD1 3.65Å; M66-I165 HydrophobicContact SD-CG2 4.16Å; L69-I165 HydrophobicContact CD1-CD1 4.37Å; A71-I165 HydrophobicContact CB-CD1 3.7Å; L136-I165 HydrophobicContact CB-CD1 4.37Å; L136-I165 HydrophobicContact CD2-CD1 4.32Å; V137-I165 WeakPolarHBondContact O-CA 3.34Å; Q163-I165 VanDerWaalsContact NE2-CB 3.3Å; I165-T167 HydrophobicContact CG1-CG2 4.37Å; I165-V182 HydrophobicContact CG2-CG1 3.9Å; I165-C295 WeakPolarHBondContact O-CA 3.48Å; I165-Y296 HydrophobicContact CG2-CD2 3.78Å; I165-Y296 HydrophobicContact CG2-CG 4.01Å; I165-Y296 PolarHBondContact N-O 2.99Å; I165-Y296 WeakPolarHBondContact O-CD2 3.44Å; I165-Y296 PolarHBondContact O-N 3.45Å
166	Y	98.8	Very high	97.9	Very high	3 Å²	3	30.1 Å²	30.1	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.1	179.8	-59.3	-76.7	0	0	0	108.8	H115 E116 I119 L136 V137 D164 G294 C295	H115-Y166 WeakPolarHBondContact CA-OH 3.36Å; H115-Y166 HydrophobicContact CB-CE2 4.03Å; H115-Y166 WeakPolarHBondContact CB-OH 3.13Å; H115-Y166 PolarHBondContact N-OH 3.27Å; E116-Y166 HydrophobicContact CB-CE1 4.45Å; E116-Y166 HydrophobicContact CG-CE1 3.89Å; E116-Y166 WeakPolarHBondContact OE1-CE1 3.4Å; E116-Y166 PolarHBondContact OE1-OH 3.15Å; E116-Y166 VanDerWaalsContact OE1-OH 3.09Å; I119-Y166 HydrophobicContact CB-CD2 4.01Å; I119-Y166 HydrophobicContact CB-CE2 4.34Å; I119-Y166 HydrophobicContact CB-CG 4.27Å; I119-Y166 HydrophobicContact CG1-CD2 3.9Å; I119-Y166 HydrophobicContact CG1-CG 4.11Å; I119-Y166 HydrophobicContact CG2-CD1 3.71Å; I119-Y166 HydrophobicContact CG2-CD2 3.69Å; I119-Y166 HydrophobicContact CG2-CE1 4.04Å; I119-Y166 HydrophobicContact CG2-CE2 4Å; I119-Y166 HydrophobicContact CG2-CG 3.52Å; L136-Y166 WeakPolarHBondContact CA-O 3.39Å; V137-Y166 PolarHBondContact N-O 3.46Å; V137-Y166 PolarHBondContact O-N 3.48Å; D164-Y166 HydrophobicContact CB-CD2 4.4Å; D164-Y166 HydrophobicContact CB-CE2 3.55Å; Y166-G294 WeakPolarHBondContact CA-O 3.32Å; Y166-C295 HydrophobicContact CD1-CB 3.58Å; Y166-C295 HydrophobicContact CE1-CB 3.57Å
167	T	98.8	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.9	-175.7	62.6	0	0	0	0	109.3	V135 L136 I165 T178 V182 M293 G294 Y296	V135-T167 CarbonylContact O-C 3.52Å; V135-T167 WeakPolarHBondContact O-CA 3.44Å; L136-T167 HydrophobicContact CD2-CG2 4.23Å; L136-T167 HydrophobicContact CG-CG2 3.8Å; I165-T167 HydrophobicContact CG1-CG2 4.37Å; T167-T178 HydrophobicContact CG2-CG2 3.74Å; T167-V182 HydrophobicContact CG2-CG2 4.24Å; T167-M293 VanDerWaalsContact O-CA 3.28Å; T167-M293 WeakPolarHBondContact O-CA 3.23Å; T167-G294 PolarHBondContact N-O 3.34Å; T167-G294 PolarHBondContact O-N 3.35Å; T167-G294 VanDerWaalsContact OG1-CA 3.3Å; T167-G294 WeakPolarHBondContact OG1-CA 3.27Å; T167-G294 PolarHBondContact OG1-N 3.13Å; T167-G294 VanDerWaalsContact OG1-N 3.14Å; T167-G294 PolarHBondContact OG1-O 2.93Å; T167-Y296 HydrophobicContact CG2-CD2 4.38Å; T167-Y296 HydrophobicContact CG2-CE2 3.69Å
168	F	98.8	Very high	98.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	115.6	-179.3	-60.7	-96.1	0	0	0	108.1	I119 V123 L133 P134 V135 V137 M291 F292 M293	I119-F168 HydrophobicContact CG1-CE2 4.19Å; I119-F168 HydrophobicContact CG1-CZ 4.16Å; I119-F168 HydrophobicContact CG2-CZ 4.37Å; V123-F168 HydrophobicContact CB-CD1 4.45Å; V123-F168 HydrophobicContact CB-CE1 3.96Å; V123-F168 HydrophobicContact CB-CE2 4.18Å; V123-F168 HydrophobicContact CB-CZ 3.82Å; V123-F168 HydrophobicContact CG1-CD1 3.88Å; V123-F168 HydrophobicContact CG1-CD2 4.21Å; V123-F168 HydrophobicContact CG1-CE1 3.9Å; V123-F168 HydrophobicContact CG1-CE2 4.26Å; V123-F168 HydrophobicContact CG1-CG 4.04Å; V123-F168 HydrophobicContact CG1-CZ 4.09Å; V123-F168 HydrophobicContact CG2-CD2 4.21Å; V123-F168 HydrophobicContact CG2-CE1 4.32Å; V123-F168 HydrophobicContact CG2-CE2 3.63Å; V123-F168 HydrophobicContact CG2-CZ 3.68Å; L133-F168 HydrophobicContact CD2-CB 4.36Å; L133-F168 WeakPolarHBondContact CD2-O 3.33Å; P134-F168 CarbonylContact C-O 3.52Å; P134-F168 VanDerWaalsContact CA-O 3.23Å; P134-F168 WeakPolarHBondContact CA-O 3.48Å; V135-F168 HydrophobicContact CB-CB 4.44Å; V135-F168 PolarHBondContact N-O 2.93Å; V135-F168 PolarHBondContact O-N 3.06Å; V137-F168 HydrophobicContact CG2-CE2 4.05Å; F168-M291 HydrophobicContact CB-CB 4.29Å; F168-M291 HydrophobicContact CB-CG 4.5Å; F168-M291 HydrophobicContact CB-SD 3.87Å; F168-M291 HydrophobicContact CD1-CB 4.15Å; F168-M291 HydrophobicContact CD1-CE 4.43Å; F168-M291 HydrophobicContact CD1-SD 4.04Å; F168-M291 HydrophobicContact CG-SD 4.29Å; F168-F292 CarbonylContact C-O 3.42Å; F168-F292 WeakPolarHBondContact CA-O 3.32Å; F168-M293 HydrophobicContact CD1-CE 4.23Å; F168-M293 HydrophobicContact CD1-CG 3.92Å; F168-M293 HydrophobicContact CD1-SD 4.22Å; F168-M293 HydrophobicContact CE1-CE 3.42Å; F168-M293 VanDerWaalsContact CE1-CE 3.42Å; F168-M293 HydrophobicContact CE1-CG 4.03Å; F168-M293 HydrophobicContact CE1-SD 3.75Å; F168-M293 HydrophobicContact CZ-CE 3.66Å
169	D	98.7	Very high	98.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	159.1	-170.9	-73.9	-97.7	0	0	0	111	P134 T174 A175 T178 F292	P134-D169 WeakPolarHBondContact CB-OD1 3.27Å; D169-T174 VanDerWaalsContact OD1-C 3.28Å; D169-A175 HydrophobicContact CB-CB 3.77Å; D169-A175 VanDerWaalsContact CG-CA 3.48Å; D169-T178 WeakPolarHBondContact OD1-CB 3.43Å; D169-T178 PolarHBondContact OD1-OG1 3.37Å; D169-F292 HydrophobicContact CB-CB 4.34Å; D169-F292 PolarHBondContact N-O 3.06Å; D169-F292 PolarHBondContact O-N 3.38Å
170	A	98.2	Very high	98.4	Very high	30 Å²	30	33 Å²	33	25%	0.248	17%	0.166	C	C	.	.	S	Bend	trans	-80.1	-27.5	-174.7	0	0	0	0	0	113.7	L133 T174 Y282	L133-A170 HydrophobicContact CD1-CB 3.93Å; A170-T174 PolarHBondContact N-OG1 3.48Å; A170-Y282 HydrophobicContact CB-CE1 4.32Å; A170-Y282 HydrophobicContact CB-CE2 4.43Å; A170-Y282 PolarHBondContact O-OH 3.05Å
171	S	97.7	Very high	98.5	Very high	35 Å²	35	37.2 Å²	37.2	25%	0.245	18%	0.181	C	C	.	.	S	Bend	trans	-149.8	167.2	-179.5	81.5	0	0	0	0	111.7	E173 T174 A175	S171-E173 VanDerWaalsContact C-N 3.29Å; S171-E173 WeakPolarHBondContact CB-OE2 3.15Å; S171-E173 PolarHBondContact O-N 3.22Å; S171-E173 PolarHBondContact OG-N 2.87Å; S171-E173 PolarHBondContact OG-OE2 3.44Å; S171-T174 PolarHBondContact N-OG1 3.09Å; S171-T174 PolarHBondContact O-N 3.09Å; S171-T174 PolarHBondContact O-OG1 3.4Å; S171-T174 PolarHBondContact OG-N 3.14Å; S171-T174 PolarHBondContact OG-OG1 3.06Å; S171-A175 WeakPolarHBondContact O-CB 3.34Å; S171-A175 PolarHBondContact O-N 2.93Å
172	V	98	Very high	98.5	Very high	39 Å²	39	36 Å²	36	24%	0.236	18%	0.175	C	C	.	.	H	α-helix	trans	-58.6	-39.7	175.8	65.1	0	0	0	0	112.1	T174 A175 E176 L210 F292	V172-T174 PolarHBondContact O-N 3.38Å; V172-A175 WeakPolarHBondContact O-CB 3.25Å; V172-A175 PolarHBondContact O-N 3.47Å; V172-E176 WeakPolarHBondContact O-CG 3.28Å; V172-E176 PolarHBondContact O-N 3.04Å; V172-L210 HydrophobicContact CG2-CD1 4.26Å; V172-F292 HydrophobicContact CB-CD1 3.91Å; V172-F292 HydrophobicContact CB-CE1 3.76Å; V172-F292 HydrophobicContact CB-CZ 4.44Å
173	E	98.2	Very high	98.5	Very high	111 Å²	111	37.6 Å²	37.6	52%	0.519	18%	0.181	S	C	.	.	H	α-helix	trans	-67.9	-36.5	-179	-55	77.3	-169.2	0	0	111.8	S171 K177	S171-E173 VanDerWaalsContact C-N 3.29Å; S171-E173 WeakPolarHBondContact CB-OE2 3.15Å; S171-E173 PolarHBondContact O-N 3.22Å; S171-E173 PolarHBondContact OG-N 2.87Å; S171-E173 PolarHBondContact OG-OE2 3.44Å; E173-K177 WeakPolarHBondContact O-CG 3.23Å; E173-K177 PolarHBondContact O-N 2.75Å
174	T	98.2	Very high	98.5	Very high	47 Å²	47	41.1 Å²	41.1	29%	0.288	20%	0.203	S	C	.	.	H	α-helix	trans	-70.2	-40.7	172.7	48.6	0	0	0	0	111.4	D169 A170 S171 V172 E176 K177 T178	D169-T174 VanDerWaalsContact OD1-C 3.28Å; A170-T174 PolarHBondContact N-OG1 3.48Å; S171-T174 PolarHBondContact N-OG1 3.09Å; S171-T174 PolarHBondContact O-N 3.09Å; S171-T174 PolarHBondContact O-OG1 3.4Å; S171-T174 PolarHBondContact OG-N 3.14Å; S171-T174 PolarHBondContact OG-OG1 3.06Å; V172-T174 PolarHBondContact O-N 3.38Å; T174-E176 VanDerWaalsContact C-N 3.34Å; T174-E176 PolarHBondContact O-N 3.04Å; T174-K177 WeakPolarHBondContact O-CB 3.28Å; T174-K177 PolarHBondContact O-N 3.34Å; T174-K177 VanDerWaalsContact O-N 3.12Å; T174-T178 PolarHBondContact O-N 3.44Å; T174-T178 PolarHBondContact O-OG1 3Å
175	A	98.6	Very high	98.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-39.6	177.4	0	0	0	0	0	112	D169 S171 V172 K177 T178 Y179 L269 F292	D169-A175 HydrophobicContact CB-CB 3.77Å; D169-A175 VanDerWaalsContact CG-CA 3.48Å; S171-A175 WeakPolarHBondContact O-CB 3.34Å; S171-A175 PolarHBondContact O-N 2.93Å; V172-A175 WeakPolarHBondContact O-CB 3.25Å; V172-A175 PolarHBondContact O-N 3.47Å; A175-K177 VanDerWaalsContact C-N 3.34Å; A175-K177 PolarHBondContact O-N 3.33Å; A175-T178 PolarHBondContact O-N 3.05Å; A175-Y179 VanDerWaalsContact O-CB 3.24Å; A175-Y179 WeakPolarHBondContact O-CB 3.2Å; A175-Y179 PolarHBondContact O-N 3.18Å; A175-L269 HydrophobicContact CB-CD1 3.69Å; A175-F292 HydrophobicContact CB-CB 3.83Å
176	E	98.4	Very high	98.5	Very high	80 Å²	80	41.5 Å²	41.5	37%	0.374	21%	0.206	S	C	.	.	H	α-helix	trans	-63.8	-37	173.9	-75.5	-178.9	177.5	0	0	112.9	V172 T174 K180 L269	V172-E176 WeakPolarHBondContact O-CG 3.28Å; V172-E176 PolarHBondContact O-N 3.04Å; T174-E176 VanDerWaalsContact C-N 3.34Å; T174-E176 PolarHBondContact O-N 3.04Å; E176-K180 WeakPolarHBondContact O-CG 3.32Å; E176-K180 PolarHBondContact O-N 3.29Å; E176-L269 HydrophobicContact CG-CD2 3.82Å
177	K	98.6	Very high	98.5	Very high	141 Å²	141	42.3 Å²	42.3	61%	0.613	21%	0.212	S	C	*	.	H	α-helix	trans	-66.9	-45.3	174.3	-70.1	172.2	-174.5	176.9	0	110.7	E173 T174 A175 Y179 K180 R181	E173-K177 WeakPolarHBondContact O-CG 3.23Å; E173-K177 PolarHBondContact O-N 2.75Å; T174-K177 WeakPolarHBondContact O-CB 3.28Å; T174-K177 PolarHBondContact O-N 3.34Å; T174-K177 VanDerWaalsContact O-N 3.12Å; A175-K177 VanDerWaalsContact C-N 3.34Å; A175-K177 PolarHBondContact O-N 3.33Å; K177-Y179 VanDerWaalsContact C-N 3.34Å; K177-K180 PolarHBondContact O-N 2.97Å; K177-R181 WeakPolarHBondContact O-CG 3.48Å; K177-R181 PolarHBondContact O-N 2.95Å; K177-R181 VanDerWaalsContact O-N 3.09Å
178	T	98.6	Very high	98.5	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-62.2	-42.8	176.6	-60.5	0	0	0	0	110.8	L136 T167 D169 T174 A175 K180 R181 V182	L136-T178 HydrophobicContact CD1-CG2 4.26Å; L136-T178 HydrophobicContact CD2-CG2 4.22Å; L136-T178 HydrophobicContact CG-CG2 4.3Å; T167-T178 HydrophobicContact CG2-CG2 3.74Å; D169-T178 WeakPolarHBondContact OD1-CB 3.43Å; D169-T178 PolarHBondContact OD1-OG1 3.37Å; T174-T178 PolarHBondContact O-N 3.44Å; T174-T178 PolarHBondContact O-OG1 3Å; A175-T178 PolarHBondContact O-N 3.05Å; T178-K180 PolarHBondContact O-N 3.14Å; T178-R181 WeakPolarHBondContact O-CB 3.48Å; T178-R181 PolarHBondContact O-N 3.27Å; T178-R181 VanDerWaalsContact O-N 3.12Å; T178-V182 WeakPolarHBondContact O-CG2 3.28Å; T178-V182 PolarHBondContact O-N 3.38Å
179	Y	98.7	Very high	98.4	Very high	9 Å²	9	46.7 Å²	46.7	4%	0.035	24%	0.236	C	C	.	.	H	α-helix	trans	-55.9	-48.3	173.7	179.9	-81.7	0	0	0	112.8	A175 K177 R181 V182 K183 I211 E213 C267 L269 Y296	A175-Y179 VanDerWaalsContact O-CB 3.24Å; A175-Y179 WeakPolarHBondContact O-CB 3.2Å; A175-Y179 PolarHBondContact O-N 3.18Å; K177-Y179 VanDerWaalsContact C-N 3.34Å; Y179-R181 VanDerWaalsContact C-N 3.31Å; Y179-R181 PolarHBondContact O-N 3.13Å; Y179-V182 PolarHBondContact O-N 3.39Å; Y179-K183 HydrophobicContact CE1-CD 4.18Å; Y179-K183 VanDerWaalsContact O-CB 3.3Å; Y179-K183 WeakPolarHBondContact O-CB 3.49Å; Y179-K183 PolarHBondContact O-N 3.28Å; Y179-I211 HydrophobicContact CE1-CG2 4.4Å; Y179-I211 HydrophobicContact CE2-CG2 4.46Å; Y179-E213 VanDerWaalsContact CE1-OE2 3.28Å; Y179-E213 WeakPolarHBondContact CE1-OE2 3.5Å; Y179-E213 WeakPolarHBondContact OH-CB 3.48Å; Y179-E213 WeakPolarHBondContact OH-CG 3.4Å; Y179-E213 PolarHBondContact OH-OE2 2.78Å; Y179-C267 HydrophobicContact CE2-CB 3.74Å; Y179-L269 HydrophobicContact CD2-CB 3.89Å; Y179-L269 HydrophobicContact CE2-CB 4.22Å; Y179-Y296 WeakPolarHBondContact CA-OH 3.23Å; Y179-Y296 WeakPolarHBondContact CB-OH 3.41Å; Y179-Y296 AromaticContact CD2-CE1 3.51Å; Y179-Y296 HydrophobicContact CD2-CE1 3.51Å; Y179-Y296 AromaticContact CD2-CZ 3.87Å; Y179-Y296 WeakPolarHBondContact CD2-OH 3.45Å; Y179-Y296 AromaticContact CE2-CE1 3.95Å; Y179-Y296 HydrophobicContact CE2-CE1 3.95Å; Y179-Y296 HydrophobicContact CG-CE1 4.1Å
180	K	98.4	Very high	98.4	Very high	133 Å²	133	46.7 Å²	46.7	58%	0.578	24%	0.236	S	C	*	.	H	α-helix	trans	-60	-41.1	176.1	-72.5	169.4	-174.9	171.7	0	111.8	E176 K177 T178 K183 T184	E176-K180 WeakPolarHBondContact O-CG 3.32Å; E176-K180 PolarHBondContact O-N 3.29Å; K177-K180 PolarHBondContact O-N 2.97Å; T178-K180 PolarHBondContact O-N 3.14Å; K180-K183 PolarHBondContact O-N 3.36Å; K180-T184 PolarHBondContact O-N 3.27Å; K180-T184 PolarHBondContact O-OG1 3.08Å; K180-T184 VanDerWaalsContact O-OG1 3.06Å
181	R	98.6	Very high	98.4	Very high	107 Å²	107	49.7 Å²	49.7	40%	0.404	25%	0.25	S	S	.	.	H	α-helix	trans	-63.3	-47.2	178.2	-69.7	172.8	64.8	-144	-4.8	112.3	L69 K177 T178 Y179 T184 A185	L69-R181 HydrophobicContact CD2-CB 4.03Å; L69-R181 PolarHBondContact O-NH2 3.07Å; K177-R181 WeakPolarHBondContact O-CG 3.48Å; K177-R181 PolarHBondContact O-N 2.95Å; K177-R181 VanDerWaalsContact O-N 3.09Å; T178-R181 WeakPolarHBondContact O-CB 3.48Å; T178-R181 PolarHBondContact O-N 3.27Å; T178-R181 VanDerWaalsContact O-N 3.12Å; Y179-R181 VanDerWaalsContact C-N 3.31Å; Y179-R181 PolarHBondContact O-N 3.13Å; R181-T184 PolarHBondContact O-N 3.41Å; R181-A185 PolarHBondContact O-N 2.88Å
182	V	98.7	Very high	98.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.9	-43.1	178.6	-178	0	0	0	0	110.6	L69 L136 I165 T167 T178 Y179 T184 A185 Y186 Y296	L69-V182 HydrophobicContact CD1-CG2 4.18Å; L136-V182 HydrophobicContact CD2-CG2 4.5Å; I165-V182 HydrophobicContact CG2-CG1 3.9Å; T167-V182 HydrophobicContact CG2-CG2 4.24Å; T178-V182 WeakPolarHBondContact O-CG2 3.28Å; T178-V182 PolarHBondContact O-N 3.38Å; Y179-V182 PolarHBondContact O-N 3.39Å; V182-T184 VanDerWaalsContact C-N 3.34Å; V182-T184 PolarHBondContact O-N 3.01Å; V182-A185 WeakPolarHBondContact O-CB 3.48Å; V182-A185 PolarHBondContact O-N 3.27Å; V182-A185 VanDerWaalsContact O-N 3.13Å; V182-Y186 HydrophobicContact CG1-CE1 4.47Å; V182-Y186 PolarHBondContact O-N 2.96Å; V182-Y186 VanDerWaalsContact O-N 3.08Å; V182-Y296 HydrophobicContact CB-CD1 3.92Å; V182-Y296 HydrophobicContact CB-CD2 4.39Å; V182-Y296 HydrophobicContact CB-CE1 3.83Å; V182-Y296 HydrophobicContact CB-CE2 4.33Å; V182-Y296 HydrophobicContact CB-CG 4.24Å; V182-Y296 HydrophobicContact CG1-CD1 3.52Å; V182-Y296 HydrophobicContact CG1-CD2 3.87Å; V182-Y296 HydrophobicContact CG1-CE1 3.97Å; V182-Y296 HydrophobicContact CG1-CE2 4.31Å; V182-Y296 HydrophobicContact CG1-CG 3.5Å; V182-Y296 HydrophobicContact CG2-CD2 4.4Å; V182-Y296 HydrophobicContact CG2-CE1 4.42Å; V182-Y296 HydrophobicContact CG2-CE2 4.13Å
183	K	98.5	Very high	98.2	Very high	47 Å²	47	50.4 Å²	50.4	20%	0.204	25%	0.25	C	S	.	.	H	α-helix	trans	-57.2	-45.2	174.7	-175.9	-178.7	-179.6	171.3	0	112	Y179 K180 A185 Y186 S187 E213 F215	Y179-K183 HydrophobicContact CE1-CD 4.18Å; Y179-K183 VanDerWaalsContact O-CB 3.3Å; Y179-K183 WeakPolarHBondContact O-CB 3.49Å; Y179-K183 PolarHBondContact O-N 3.28Å; K180-K183 PolarHBondContact O-N 3.36Å; K183-A185 VanDerWaalsContact C-N 3.34Å; K183-A185 PolarHBondContact O-N 3.48Å; K183-Y186 PolarHBondContact O-N 2.79Å; K183-S187 PolarHBondContact O-N 2.65Å; K183-E213 WeakPolarHBondContact CE-OE2 3.22Å; K183-E213 IonicContact NZ-OE1 2.94Å; K183-E213 PolarHBondContact NZ-OE1 3.02Å; K183-E213 IonicContact NZ-OE2 3.31Å; K183-E213 PolarHBondContact NZ-OE2 2.92Å; K183-F215 HydrophobicContact CG-CE2 4.04Å; K183-F215 HydrophobicContact CG-CZ 3.74Å
184	T	98.6	Very high	98.1	Very high	74 Å²	74	50.7 Å²	50.7	45%	0.454	25%	0.252	S	S	.	.	H	α-helix	trans	-61.4	-41.3	175.2	-64.1	0	0	0	0	111.8	K180 R181 V182 Y186 S187 D188	K180-T184 PolarHBondContact O-N 3.27Å; K180-T184 PolarHBondContact O-OG1 3.08Å; K180-T184 VanDerWaalsContact O-OG1 3.06Å; R181-T184 PolarHBondContact O-N 3.41Å; V182-T184 VanDerWaalsContact C-N 3.34Å; V182-T184 PolarHBondContact O-N 3.01Å; T184-Y186 VanDerWaalsContact C-N 3.31Å; T184-Y186 PolarHBondContact O-N 3.16Å; T184-S187 VanDerWaalsContact O-CB 3.31Å; T184-S187 WeakPolarHBondContact O-CB 3.28Å; T184-S187 PolarHBondContact O-N 2.76Å; T184-S187 VanDerWaalsContact O-N 3.15Å; T184-D188 VanDerWaalsContact O-CG 3.27Å; T184-D188 PolarHBondContact O-N 3.46Å
185	A	98.6	Very high	98	Very high	10 Å²	10	48.7 Å²	48.7	8%	0.083	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-36.8	176.7	0	0	0	0	0	112.9	M66 L69 R181 V182 K183 L189	M66-A185 HydrophobicContact CE-CB 4.43Å; L69-A185 HydrophobicContact CD1-CB 3.8Å; L69-A185 HydrophobicContact CD2-CB 4.16Å; L69-A185 HydrophobicContact CG-CB 4.14Å; R181-A185 PolarHBondContact O-N 2.88Å; V182-A185 WeakPolarHBondContact O-CB 3.48Å; V182-A185 PolarHBondContact O-N 3.27Å; V182-A185 VanDerWaalsContact O-N 3.13Å; K183-A185 VanDerWaalsContact C-N 3.34Å; K183-A185 PolarHBondContact O-N 3.48Å; A185-L189 WeakPolarHBondContact O-CB 3.49Å; A185-L189 PolarHBondContact O-N 2.93Å
186	Y	98.7	Very high	97.9	Very high	1 Å²	1	52 Å²	52	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-67.1	-44.4	172	-75.4	3.9	0	0	0	111.7	M66 Q163 V182 K183 T184 D188 L189 M190 F215 A265 Y296 L298	M66-Y186 HydrophobicContact CE-CD1 4.41Å; M66-Y186 HydrophobicContact CE-CE1 4.04Å; Q163-Y186 PolarHBondContact OE1-OH 2.94Å; Q163-Y186 VanDerWaalsContact OE1-OH 3.1Å; V182-Y186 HydrophobicContact CG1-CE1 4.47Å; V182-Y186 PolarHBondContact O-N 2.96Å; V182-Y186 VanDerWaalsContact O-N 3.08Å; K183-Y186 PolarHBondContact O-N 2.79Å; T184-Y186 VanDerWaalsContact C-N 3.31Å; T184-Y186 PolarHBondContact O-N 3.16Å; Y186-D188 VanDerWaalsContact C-N 3.35Å; Y186-D188 PolarHBondContact O-N 3.45Å; Y186-L189 WeakPolarHBondContact O-CB 3.48Å; Y186-L189 PolarHBondContact O-N 3.24Å; Y186-M190 WeakPolarHBondContact O-CG 3.42Å; Y186-M190 PolarHBondContact O-N 3.03Å; Y186-F215 HydrophobicContact CD2-CE2 4.37Å; Y186-A265 HydrophobicContact CD2-CB 3.68Å; Y186-A265 HydrophobicContact CE2-CB 3.83Å; Y186-Y296 WeakPolarHBondContact OH-CB 3.45Å; Y186-Y296 PolarHBondContact OH-O 3.42Å; Y186-L298 HydrophobicContact CE1-CB 4.21Å; Y186-L298 HydrophobicContact CE1-CD2 4.49Å; Y186-L298 HydrophobicContact CE2-CB 4.32Å
187	S	98.5	Very high	97.8	Very high	20 Å²	20	51.5 Å²	51.5	14%	0.14	26%	0.256	C	S	.	.	H	α-helix	trans	-54.1	-48.4	173.2	-82.3	0	0	0	0	112.6	K183 T184 L189 M190 V191 Y197	K183-S187 PolarHBondContact O-N 2.65Å; T184-S187 VanDerWaalsContact O-CB 3.31Å; T184-S187 WeakPolarHBondContact O-CB 3.28Å; T184-S187 PolarHBondContact O-N 2.76Å; T184-S187 VanDerWaalsContact O-N 3.15Å; S187-L189 VanDerWaalsContact C-N 3.31Å; S187-L189 PolarHBondContact O-N 3.44Å; S187-M190 PolarHBondContact O-N 2.69Å; S187-V191 WeakPolarHBondContact O-CG2 3.4Å; S187-V191 PolarHBondContact O-N 2.86Å; S187-V191 VanDerWaalsContact O-N 3.08Å; S187-Y197 WeakPolarHBondContact CA-OH 3.3Å; S187-Y197 WeakPolarHBondContact CB-OH 3.17Å; S187-Y197 PolarHBondContact OG-OH 3.26Å
188	D	98.4	Very high	97.7	Very high	88 Å²	88	46.6 Å²	46.6	47%	0.471	24%	0.236	S	C	.	.	H	α-helix	trans	-65.1	-37	179.6	-66.1	-19.4	0	0	0	111.4	T184 Y186 V191 N192	T184-D188 VanDerWaalsContact O-CG 3.27Å; T184-D188 PolarHBondContact O-N 3.46Å; Y186-D188 VanDerWaalsContact C-N 3.35Å; Y186-D188 PolarHBondContact O-N 3.45Å; D188-V191 PolarHBondContact O-N 3.49Å; D188-N192 WeakPolarHBondContact O-CB 3.49Å; D188-N192 PolarHBondContact O-N 3.46Å; D188-N192 PolarHBondContact O-ND2 3.31Å
189	L	97.9	Very high	97.6	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-62.8	-44	174.1	-176.7	68.5	0	0	0	111.8	L61 V62 A185 Y186 S187 V191 N192 L193 L298 L303	L61-L189 HydrophobicContact CB-CD1 4.15Å; V62-L189 HydrophobicContact CG2-CD1 4.45Å; V62-L189 HydrophobicContact CG2-CD2 3.67Å; A185-L189 WeakPolarHBondContact O-CB 3.49Å; A185-L189 PolarHBondContact O-N 2.93Å; Y186-L189 WeakPolarHBondContact O-CB 3.48Å; Y186-L189 PolarHBondContact O-N 3.24Å; S187-L189 VanDerWaalsContact C-N 3.31Å; S187-L189 PolarHBondContact O-N 3.44Å; L189-V191 VanDerWaalsContact C-N 3.34Å; L189-V191 PolarHBondContact O-N 2.83Å; L189-N192 PolarHBondContact O-N 2.73Å; L189-L193 HydrophobicContact CD1-CD1 4.26Å; L189-L193 HydrophobicContact CD1-CG 4.48Å; L189-L193 HydrophobicContact CG-CD1 3.98Å; L189-L193 VanDerWaalsContact O-CG 3.28Å; L189-L193 WeakPolarHBondContact O-CG 3.44Å; L189-L193 PolarHBondContact O-N 3.25Å; L189-L298 HydrophobicContact CD2-CD2 3.42Å; L189-L298 VanDerWaalsContact CD2-CD2 3.42Å; L189-L303 HydrophobicContact CD2-CD2 4.29Å
190	M	98.1	Very high	97.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-41.6	177.5	-61.8	-56	169.9	0	0	111.6	Y186 S187 L193 E194 L195 Y197 F215 V264 A265 L298 L303	Y186-M190 WeakPolarHBondContact O-CG 3.42Å; Y186-M190 PolarHBondContact O-N 3.03Å; S187-M190 PolarHBondContact O-N 2.69Å; M190-L193 CarbonylContact O-C 3.53Å; M190-L193 PolarHBondContact O-N 2.79Å; M190-E194 PolarHBondContact O-N 2.93Å; M190-L195 PolarHBondContact O-N 3.48Å; M190-L195 HydrophobicContact SD-CD2 3.98Å; M190-Y197 HydrophobicContact CB-CD1 3.3Å; M190-Y197 HydrophobicContact CB-CE1 3.64Å; M190-Y197 HydrophobicContact CB-CG 3.91Å; M190-Y197 HydrophobicContact CG-CD1 3.92Å; M190-Y197 HydrophobicContact CG-CE1 4.4Å; M190-Y197 HydrophobicContact CG-CG 4Å; M190-F215 HydrophobicContact CG-CD1 4.4Å; M190-V264 HydrophobicContact CE-CB 4.21Å; M190-V264 HydrophobicContact CE-CG2 3.41Å; M190-V264 VanDerWaalsContact CE-CG2 3.41Å; M190-V264 HydrophobicContact SD-CG2 4.16Å; M190-A265 HydrophobicContact CE-CB 4.39Å; M190-L298 HydrophobicContact CE-CD1 3.78Å; M190-L303 HydrophobicContact CE-CD1 4.13Å; M190-L303 HydrophobicContact SD-CD1 3.81Å
191	V	97.4	Very high	97.2	Very high	92 Å²	92	42.7 Å²	42.7	56%	0.558	23%	0.225	S	C	*	.	H	α-helix	trans	-60.8	-45.3	173.7	173.2	0	0	0	0	110.8	S187 D188 L189 L193 E194 Y197	S187-V191 WeakPolarHBondContact O-CG2 3.4Å; S187-V191 PolarHBondContact O-N 2.86Å; S187-V191 VanDerWaalsContact O-N 3.08Å; D188-V191 PolarHBondContact O-N 3.49Å; L189-V191 VanDerWaalsContact C-N 3.34Å; L189-V191 PolarHBondContact O-N 2.83Å; V191-L193 PolarHBondContact O-N 2.83Å; V191-E194 PolarHBondContact O-N 3.3Å; V191-Y197 HydrophobicContact CG2-CE1 4.19Å
192	N	94.8	Very high	96.9	Very high	89 Å²	89	37.9 Å²	37.9	48%	0.476	21%	0.208	S	C	.	.	H	α-helix	trans	-64.4	-24.7	178.4	-74	-26.9	0	0	0	113.7	D188 L189 E194	D188-N192 WeakPolarHBondContact O-CB 3.49Å; D188-N192 PolarHBondContact O-N 3.46Å; D188-N192 PolarHBondContact O-ND2 3.31Å; L189-N192 PolarHBondContact O-N 2.73Å; N192-E194 VanDerWaalsContact C-N 3.35Å
193	L	96.9	Very high	96.6	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	5.4	175.8	-66.6	171.3	0	0	0	113.2	L58 L61 L189 M190 V191 L195 L303 P330 I333	L58-L193 HydrophobicContact CD1-CD1 3.9Å; L58-L193 HydrophobicContact CD1-CD2 4.04Å; L61-L193 HydrophobicContact CD1-CD2 4.19Å; L189-L193 HydrophobicContact CD1-CD1 4.26Å; L189-L193 HydrophobicContact CD1-CG 4.48Å; L189-L193 HydrophobicContact CG-CD1 3.98Å; L189-L193 VanDerWaalsContact O-CG 3.28Å; L189-L193 WeakPolarHBondContact O-CG 3.44Å; L189-L193 PolarHBondContact O-N 3.25Å; M190-L193 CarbonylContact O-C 3.53Å; M190-L193 PolarHBondContact O-N 2.79Å; V191-L193 PolarHBondContact O-N 2.83Å; L193-L195 HydrophobicContact CB-CB 4.5Å; L193-L195 PolarHBondContact O-N 2.97Å; L193-L303 HydrophobicContact CD1-CD1 4.14Å; L193-L303 HydrophobicContact CD1-CD2 3.68Å; L193-L303 HydrophobicContact CD1-CG 4Å; L193-P330 HydrophobicContact CB-CG 4.4Å; L193-P330 HydrophobicContact CD2-CB 4.1Å; L193-P330 HydrophobicContact CD2-CG 4.07Å; L193-I333 HydrophobicContact CD2-CD1 3.98Å; L193-I333 HydrophobicContact CD2-CG2 4.39Å
194	E	96	Very high	96.2	Very high	117 Å²	117	41.5 Å²	41.5	55%	0.547	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	34.1	-179	-59.9	171.1	-142.3	0	0	112.6	M190 V191 N192 L311	M190-E194 PolarHBondContact O-N 2.93Å; V191-E194 PolarHBondContact O-N 3.3Å; N192-E194 VanDerWaalsContact C-N 3.35Å; E194-L311 HydrophobicContact CB-CD2 4.45Å
195	L	96.6	Very high	95.8	Very high	5 Å²	5	39.9 Å²	39.9	3%	0.026	23%	0.23	C	C	.	.			trans	-105.2	118.3	-174.4	-160	62.5	0	0	0	110.2	M190 L193 Y197 V217 L303 V306 H310	M190-L195 PolarHBondContact O-N 3.48Å; M190-L195 HydrophobicContact SD-CD2 3.98Å; L193-L195 HydrophobicContact CB-CB 4.5Å; L193-L195 PolarHBondContact O-N 2.97Å; L195-Y197 PolarHBondContact O-N 3.07Å; L195-V217 HydrophobicContact CD1-CG1 3.87Å; L195-V217 HydrophobicContact CD1-CG2 4.29Å; L195-V217 HydrophobicContact CD2-CG2 3.45Å; L195-V217 VanDerWaalsContact CD2-CG2 3.45Å; L195-V217 HydrophobicContact CG-CB 4.49Å; L195-V217 HydrophobicContact CG-CG1 4.03Å; L195-V217 HydrophobicContact CG-CG2 3.62Å; L195-L303 HydrophobicContact CD2-CD1 3.69Å; L195-V306 HydrophobicContact CD1-CG1 4.29Å; L195-V306 HydrophobicContact CD2-CG1 4.17Å; L195-H310 HydrophobicContact CD1-CB 3.78Å
196	P	96.1	Very high	95.3	Very high	70 Å²	70	43.3 Å²	43.3	46%	0.455	25%	0.247	S	C	.	.			trans	-68	130.3	170.5	28.4	-32.1	0	0	0	108.9	H310	P196-H310 WeakPolarHBondContact CD-NE2 3.47Å; P196-H310 WeakPolarHBondContact CG-CE1 3.44Å; P196-H310 WeakPolarHBondContact CG-NE2 3.42Å
197	Y	97.4	Very high	94.9	Very high	69 Å²	69	44.3 Å²	44.3	27%	0.271	25%	0.253	S	S	.	.			trans	-135.4	154.7	-178.2	70.4	-82	0	0	0	111.8	S187 M190 V191 L195 V199 F215 H216	S187-Y197 WeakPolarHBondContact CA-OH 3.3Å; S187-Y197 WeakPolarHBondContact CB-OH 3.17Å; S187-Y197 PolarHBondContact OG-OH 3.26Å; M190-Y197 HydrophobicContact CB-CD1 3.3Å; M190-Y197 HydrophobicContact CB-CE1 3.64Å; M190-Y197 HydrophobicContact CB-CG 3.91Å; M190-Y197 HydrophobicContact CG-CD1 3.92Å; M190-Y197 HydrophobicContact CG-CE1 4.4Å; M190-Y197 HydrophobicContact CG-CG 4Å; V191-Y197 HydrophobicContact CG2-CE1 4.19Å; L195-Y197 PolarHBondContact O-N 3.07Å; Y197-V199 HydrophobicContact CD2-CG2 3.98Å; Y197-V199 HydrophobicContact CE2-CG2 3.87Å; Y197-F215 AromaticContact CD2-CD1 3.55Å; Y197-F215 HydrophobicContact CD2-CD1 3.55Å; Y197-F215 AromaticContact CD2-CE1 3.87Å; Y197-F215 HydrophobicContact CD2-CE1 3.87Å; Y197-F215 AromaticContact CE2-CD1 3.89Å; Y197-F215 HydrophobicContact CE2-CD1 3.89Å; Y197-F215 AromaticContact CE2-CE1 3.69Å; Y197-F215 HydrophobicContact CE2-CE1 3.69Å; Y197-F215 HydrophobicContact CG-CD1 4.38Å; Y197-H216 CarbonylContact C-O 3.57Å; Y197-H216 WeakPolarHBondContact CA-O 3.44Å
198	L	95.8	Very high	94.5	Very high	38 Å²	38	43.8 Å²	43.8	20%	0.199	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	143.1	172.4	-55.2	171	0	0	0	107.3	F215 H216 K235 V259	L198-F215 CarbonylContact O-C 3.38Å; L198-F215 WeakPolarHBondContact O-CA 3.49Å; L198-H216 HydrophobicContact CB-CB 4.47Å; L198-H216 PolarHBondContact N-O 3.07Å; L198-H216 PolarHBondContact O-N 3.04Å; L198-K235 HydrophobicContact CB-CD 4Å; L198-K235 HydrophobicContact CD2-CD 3.98Å; L198-K235 HydrophobicContact CG-CD 4.43Å; L198-V259 HydrophobicContact CD1-CG2 3.67Å
199	V	96.5	Very high	94.2	Very high	32 Å²	32	41 Å²	41	19%	0.194	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.6	167.1	-174.6	0	0	0	0	108	Y197 E213 E214 F215	Y197-V199 HydrophobicContact CD2-CG2 3.98Å; Y197-V199 HydrophobicContact CE2-CG2 3.87Å; V199-E213 HydrophobicContact CG1-CB 3.91Å; V199-E214 CarbonylContact C-O 3.53Å; V199-E214 VanDerWaalsContact CA-O 3.3Å; V199-E214 WeakPolarHBondContact CA-O 3.5Å; V199-F215 HydrophobicContact CG1-CE2 4.38Å; V199-F215 HydrophobicContact CG2-CD1 3.79Å; V199-F215 HydrophobicContact CG2-CD2 4.27Å; V199-F215 HydrophobicContact CG2-CE1 3.6Å; V199-F215 HydrophobicContact CG2-CE2 4.09Å; V199-F215 HydrophobicContact CG2-CG 4.12Å; V199-F215 HydrophobicContact CG2-CZ 3.76Å
200	A	94.9	Very high	94	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.6	-176.1	0	0	0	0	0	110.7	E213 E214 I226 K235	A200-E213 CarbonylContact O-C 3.57Å; A200-E213 VanDerWaalsContact O-CA 3.25Å; A200-E213 WeakPolarHBondContact O-CA 3.14Å; A200-E214 PolarHBondContact N-O 2.89Å; A200-E214 PolarHBondContact O-N 3.09Å; A200-I226 HydrophobicContact CB-CD1 4.32Å; A200-I226 HydrophobicContact CB-CG2 3.79Å; A200-K235 WeakPolarHBondContact CA-O 3.39Å; A200-K235 HydrophobicContact CB-CB 4.09Å
201	C	94.1	Very high	93.8	Very high	33 Å²	33	49.1 Å²	49.1	22%	0.223	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	140.5	167.4	-60.2	0	0	0	0	109.5	K235 F236 N237 L240	C201-K235 PolarHBondContact N-O 3.29Å; C201-F236 HydrophobicContact CB-CB 4.23Å; C201-F236 CarbonylContact O-C 3.59Å; C201-F236 WeakPolarHBondContact O-CA 3.35Å; C201-F236 WeakPolarHBondContact O-CB 3.47Å; C201-N237 PolarHBondContact O-N 3.21Å; C201-L240 HydrophobicContact CB-CD2 3.86Å
202	A	93.3	Very high	93.7	Very high	5 Å²	5	45.2 Å²	45.2	4%	0.041	26%	0.262	C	S	.	.			trans	-136.1	163.8	-176.1	0	0	0	0	0	112.2	S212 E214 N237	A202-S212 PolarHBondContact N-O 3.22Å; A202-S212 VanDerWaalsContact O-CB 3.27Å; A202-S212 WeakPolarHBondContact O-CB 3.45Å; A202-S212 PolarHBondContact O-OG 3.32Å; A202-E214 HydrophobicContact CB-CB 4.41Å; A202-E214 HydrophobicContact CB-CG 3.58Å; A202-E214 WeakPolarHBondContact CB-OE1 3.47Å; A202-N237 HydrophobicContact CB-CB 4.34Å
203	D	90.8	Very high	93.8	Very high	84 Å²	84	42.5 Å²	42.5	45%	0.449	25%	0.247	S	C	.	.			trans	-63.9	127.5	171.2	-174.2	-15.7	0	0	0	108.8	G205 S212	D203-G205 PolarHBondContact O-N 3.3Å; D203-G205 PolarHBondContact OD1-N 2.85Å; D203-S212 PolarHBondContact O-OG 3.23Å
204	P	90.3	Very high	93.9	Very high	39 Å²	39	43.2 Å²	43.2	25%	0.253	25%	0.25	S	C	.	.			trans	-66.8	-16.1	174.4	30.1	-38.8	0	0	0	113.8	V207 G208	P204-V207 PolarHBondContact O-N 2.99Å; P204-G208 PolarHBondContact O-N 2.84Å
205	G	90.2	Very high	94	Very high	41 Å²	41	37.7 Å²	37.7	42%	0.423	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-145.2	175.2	0	0	0	0	0	114	D203 V207 G208	D203-G205 PolarHBondContact O-N 3.3Å; D203-G205 PolarHBondContact OD1-N 2.85Å; G205-V207 PolarHBondContact O-N 2.86Å; G205-G208 PolarHBondContact O-N 2.71Å
206	N	89.5	Confident	94.1	Very high	81 Å²	81	37.4 Å²	37.4	43%	0.433	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.4	179	-79.2	-42.2	0	0	0	113.6	T93 M94 G208 R273	T93-N206 PolarHBondContact O-ND2 3.27Å; M94-N206 HydrophobicContact CG-CB 4.15Å; N206-G208 VanDerWaalsContact C-N 3.35Å; N206-R273 VanDerWaalsContact O-CZ 3.24Å; N206-R273 PolarHBondContact O-NH1 3.04Å; N206-R273 PolarHBondContact O-NH2 3.41Å
207	V	89.8	Confident	94.1	Very high	23 Å²	23	34.1 Å²	34.1	14%	0.139	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-36	175.6	177.9	0	0	0	0	110.5	P204 G205 F268 L270 R273 Y274	P204-V207 PolarHBondContact O-N 2.99Å; G205-V207 PolarHBondContact O-N 2.86Å; V207-F268 HydrophobicContact CB-CD1 4.23Å; V207-F268 HydrophobicContact CB-CE1 3.79Å; V207-F268 HydrophobicContact CB-CZ 3.97Å; V207-F268 HydrophobicContact CG1-CD1 3.79Å; V207-F268 HydrophobicContact CG1-CD2 4.13Å; V207-F268 HydrophobicContact CG1-CE1 3.81Å; V207-F268 HydrophobicContact CG1-CE2 4.14Å; V207-F268 HydrophobicContact CG1-CG 3.94Å; V207-F268 HydrophobicContact CG1-CZ 3.96Å; V207-F268 HydrophobicContact CG2-CE1 4.42Å; V207-F268 HydrophobicContact CG2-CZ 4.11Å; V207-L270 HydrophobicContact CG1-CD2 3.81Å; V207-R273 PolarHBondContact O-NH1 3.04Å; V207-Y274 PolarHBondContact O-OH 3.47Å
208	G	90.6	Very high	94	Very high	8 Å²	8	36.4 Å²	36.4	8%	0.082	21%	0.214	C	C	.	.			trans	66.7	-173.3	179.6	0	0	0	0	0	113.1	P204 G205 N206 L270	P204-G208 PolarHBondContact O-N 2.84Å; G205-G208 PolarHBondContact O-N 2.71Å; N206-G208 VanDerWaalsContact C-N 3.35Å; G208-L270 WeakPolarHBondContact O-CD2 3.41Å
209	G	91.2	Very high	94	Very high	30 Å²	30	35.4 Å²	35.4	31%	0.309	21%	0.212	S	C	.	.			trans	132.8	173.1	178.6	0	0	0	0	0	112.4	L269	G209-L269 CarbonylContact C-O 3.55Å; G209-L269 VanDerWaalsContact CA-O 3.24Å; G209-L269 WeakPolarHBondContact CA-O 3.28Å
210	L	93.3	Very high	93.8	Very high	114 Å²	114	39.5 Å²	39.5	60%	0.597	23%	0.233	S	C	*	.	S	Bend	trans	-81.6	-33.9	176.6	-54.1	177.9	0	0	0	111.8	V172 L269	V172-L210 HydrophobicContact CG2-CD1 4.26Å; L210-L269 HydrophobicContact CB-CD2 4.37Å; L210-L269 HydrophobicContact CB-CG 4.45Å; L210-L269 HydrophobicContact CD1-CD2 4.32Å; L210-L269 HydrophobicContact CD1-CG 4.46Å; L210-L269 PolarHBondContact N-O 2.9Å
211	I	94.5	Very high	93.8	Very high	61 Å²	61	40 Å²	40	31%	0.313	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	138.3	-179.5	-53.7	176.7	0	0	0	108.1	Y179 E213 F268 L269	Y179-I211 HydrophobicContact CE1-CG2 4.4Å; Y179-I211 HydrophobicContact CE2-CG2 4.46Å; I211-E213 HydrophobicContact CG2-CG 4.09Å; I211-F268 WeakPolarHBondContact O-CA 3.44Å; I211-L269 HydrophobicContact CB-CB 3.84Å; I211-L269 HydrophobicContact CD1-CB 4.34Å; I211-L269 HydrophobicContact CD1-CD2 3.73Å; I211-L269 HydrophobicContact CG1-CB 4.15Å; I211-L269 HydrophobicContact CG1-CD2 4.09Å; I211-L269 PolarHBondContact N-O 3.46Å; I211-L269 PolarHBondContact O-N 2.84Å
212	S	95.9	Very high	93.8	Very high	9 Å²	9	38.5 Å²	38.5	6%	0.063	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	117.8	174.5	174	0	0	0	0	108.3	A202 D203 H266 C267	A202-S212 PolarHBondContact N-O 3.22Å; A202-S212 VanDerWaalsContact O-CB 3.27Å; A202-S212 WeakPolarHBondContact O-CB 3.45Å; A202-S212 PolarHBondContact O-OG 3.32Å; D203-S212 PolarHBondContact O-OG 3.23Å; S212-H266 PolarHBondContact OG-NE2 3.47Å; S212-C267 WeakPolarHBondContact CA-O 3.42Å
213	E	96.9	Very high	93.8	Very high	33 Å²	33	42 Å²	42	15%	0.154	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	133.1	176.9	-63.3	177.6	112.4	0	0	111.3	Y179 K183 V199 A200 I211 H266 C267	Y179-E213 VanDerWaalsContact CE1-OE2 3.28Å; Y179-E213 WeakPolarHBondContact CE1-OE2 3.5Å; Y179-E213 WeakPolarHBondContact OH-CB 3.48Å; Y179-E213 WeakPolarHBondContact OH-CG 3.4Å; Y179-E213 PolarHBondContact OH-OE2 2.78Å; K183-E213 WeakPolarHBondContact CE-OE2 3.22Å; K183-E213 IonicContact NZ-OE1 2.94Å; K183-E213 PolarHBondContact NZ-OE1 3.02Å; K183-E213 IonicContact NZ-OE2 3.31Å; K183-E213 PolarHBondContact NZ-OE2 2.92Å; V199-E213 HydrophobicContact CG1-CB 3.91Å; A200-E213 CarbonylContact O-C 3.57Å; A200-E213 VanDerWaalsContact O-CA 3.25Å; A200-E213 WeakPolarHBondContact O-CA 3.14Å; I211-E213 HydrophobicContact CG2-CG 4.09Å; E213-H266 PolarHBondContact O-CD2 2.86Å; E213-C267 PolarHBondContact N-O 2.8Å; E213-C267 PolarHBondContact O-N 2.8Å
214	E	97.6	Very high	94	Very high	16 Å²	16	39.4 Å²	39.4	8%	0.075	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	140.2	-178.4	-68.8	168	-179.8	0	0	110.8	V199 A200 A202 H216 N237 E263 A265 H266	V199-E214 CarbonylContact C-O 3.53Å; V199-E214 VanDerWaalsContact CA-O 3.3Å; V199-E214 WeakPolarHBondContact CA-O 3.5Å; A200-E214 PolarHBondContact N-O 2.89Å; A200-E214 PolarHBondContact O-N 3.09Å; A202-E214 HydrophobicContact CB-CB 4.41Å; A202-E214 HydrophobicContact CB-CG 3.58Å; A202-E214 WeakPolarHBondContact CB-OE1 3.47Å; E214-H216 WeakPolarHBondContact CB-NE2 3.25Å; E214-H216 IonicContact OE2-CD2 2.85Å; E214-H216 IonicContact OE2-CE1 3.58Å; E214-H216 IonicContact OE2-NE2 3.86Å; E214-H216 PolarHBondContact OE2-NE2 3.33Å; E214-N237 PolarHBondContact OE2-ND2 2.89Å; E214-E263 HydrophobicContact CB-CG 4.17Å; E214-E263 HydrophobicContact CG-CG 4.12Å; E214-A265 WeakPolarHBondContact CA-O 3.37Å; E214-H266 IonicContact OE1-CE1 3.16Å; E214-H266 PolarHBondContact OE1-CE1 3.3Å; E214-H266 VanDerWaalsContact OE1-CE1 3.27Å; E214-H266 IonicContact OE1-ND1 3.94Å; E214-H266 IonicContact OE1-NE2 2.73Å
215	F	98.4	Very high	94.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.5	169.3	-74.6	-113.5	0	0	0	108.9	K183 Y186 M190 Y197 L198 V199 E263 V264 A265	K183-F215 HydrophobicContact CG-CE2 4.04Å; K183-F215 HydrophobicContact CG-CZ 3.74Å; Y186-F215 HydrophobicContact CD2-CE2 4.37Å; M190-F215 HydrophobicContact CG-CD1 4.4Å; Y197-F215 AromaticContact CD2-CD1 3.55Å; Y197-F215 HydrophobicContact CD2-CD1 3.55Å; Y197-F215 AromaticContact CD2-CE1 3.87Å; Y197-F215 HydrophobicContact CD2-CE1 3.87Å; Y197-F215 AromaticContact CE2-CD1 3.89Å; Y197-F215 HydrophobicContact CE2-CD1 3.89Å; Y197-F215 AromaticContact CE2-CE1 3.69Å; Y197-F215 HydrophobicContact CE2-CE1 3.69Å; Y197-F215 HydrophobicContact CG-CD1 4.38Å; L198-F215 CarbonylContact O-C 3.38Å; L198-F215 WeakPolarHBondContact O-CA 3.49Å; V199-F215 HydrophobicContact CG1-CE2 4.38Å; V199-F215 HydrophobicContact CG2-CD1 3.79Å; V199-F215 HydrophobicContact CG2-CD2 4.27Å; V199-F215 HydrophobicContact CG2-CE1 3.6Å; V199-F215 HydrophobicContact CG2-CE2 4.09Å; V199-F215 HydrophobicContact CG2-CG 4.12Å; V199-F215 HydrophobicContact CG2-CZ 3.76Å; F215-E263 CarbonylContact O-C 3.42Å; F215-E263 WeakPolarHBondContact O-CA 3.32Å; F215-V264 HydrophobicContact CB-CG2 4.03Å; F215-V264 WeakPolarHBondContact O-CG2 3.15Å; F215-V264 PolarHBondContact O-N 2.97Å; F215-A265 HydrophobicContact CB-CB 3.91Å; F215-A265 HydrophobicContact CD2-CB 4.18Å; F215-A265 HydrophobicContact CG-CB 4.19Å; F215-A265 PolarHBondContact N-O 3.34Å
216	H	98.1	Very high	94.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	143	-177.4	-75.6	-82.6	0	0	0	111.3	Y197 L198 E214 D224 I226 I262 E263	Y197-H216 CarbonylContact C-O 3.57Å; Y197-H216 WeakPolarHBondContact CA-O 3.44Å; L198-H216 HydrophobicContact CB-CB 4.47Å; L198-H216 PolarHBondContact N-O 3.07Å; L198-H216 PolarHBondContact O-N 3.04Å; E214-H216 WeakPolarHBondContact CB-NE2 3.25Å; E214-H216 IonicContact OE2-CD2 2.85Å; E214-H216 IonicContact OE2-CE1 3.58Å; E214-H216 IonicContact OE2-NE2 3.86Å; E214-H216 PolarHBondContact OE2-NE2 3.33Å; H216-D224 IonicContact CE1-OD2 3.88Å; H216-D224 PolarHBondContact CE1-OD2 3.19Å; H216-D224 VanDerWaalsContact CE1-OD2 3.23Å; H216-D224 IonicContact ND1-OD2 2.79Å; H216-I226 HydrophobicContact CB-CG1 4.14Å; H216-I226 VanDerWaalsContact CD2-CD1 3.47Å; H216-I226 WeakPolarHBondContact CD2-CD1 3.32Å; H216-I226 WeakPolarHBondContact NE2-CD1 2.89Å; H216-I262 WeakPolarHBondContact CA-O 3.37Å; H216-E263 PolarHBondContact ND1-N 3.02Å
217	V	97.7	Very high	94.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.2	168	178.8	0	0	0	0	108.1	L195 A219 G261 I262 V264 V306	L195-V217 HydrophobicContact CD1-CG1 3.87Å; L195-V217 HydrophobicContact CD1-CG2 4.29Å; L195-V217 HydrophobicContact CD2-CG2 3.45Å; L195-V217 VanDerWaalsContact CD2-CG2 3.45Å; L195-V217 HydrophobicContact CG-CB 4.49Å; L195-V217 HydrophobicContact CG-CG1 4.03Å; L195-V217 HydrophobicContact CG-CG2 3.62Å; V217-A219 PolarHBondContact O-N 3.35Å; V217-G261 CarbonylContact O-C 3.6Å; V217-G261 WeakPolarHBondContact O-CA 3.5Å; V217-I262 PolarHBondContact N-O 2.98Å; V217-I262 PolarHBondContact O-N 3.12Å; V217-V264 HydrophobicContact CG2-CG1 4.06Å; V217-V264 HydrophobicContact CG2-CG2 4.04Å; V217-V306 HydrophobicContact CB-CG1 3.6Å; V217-V306 HydrophobicContact CG1-CG1 3.63Å; V217-V306 HydrophobicContact CG2-CG1 3.76Å
218	E	95.7	Very high	94.5	Very high	116 Å²	116	37.9 Å²	37.9	54%	0.542	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	125.6	-179.5	-174	174.8	154.8	0	0	111.2	V259 Q260	E218-V259 HydrophobicContact CG-CB 4.14Å; E218-V259 HydrophobicContact CG-CG1 4.42Å; E218-Q260 WeakPolarHBondContact CA-O 3.43Å
219	A	94.5	Very high	94.3	Very high	18 Å²	18	37.8 Å²	37.8	15%	0.149	20%	0.199	C	C	.	.			trans	-163.1	139.7	177.2	0	0	0	0	0	111.4	V217 I221 G222 Q260 I262	V217-A219 PolarHBondContact O-N 3.35Å; A219-I221 HydrophobicContact CB-CG1 4.12Å; A219-I221 PolarHBondContact O-N 3.47Å; A219-I221 VanDerWaalsContact O-N 3.08Å; A219-G222 WeakPolarHBondContact O-CA 3.18Å; A219-G222 PolarHBondContact O-N 3.12Å; A219-Q260 PolarHBondContact N-O 3.18Å; A219-Q260 VanDerWaalsContact O-CB 3.26Å; A219-Q260 WeakPolarHBondContact O-CB 3.25Å; A219-I262 HydrophobicContact CB-CD1 3.74Å; A219-I262 HydrophobicContact CB-CG1 4.14Å
220	D	92.7	Very high	93.9	Very high	118 Å²	118	40 Å²	40	63%	0.631	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.6	178.1	-52	-25.3	0	0	0	114	G222 Q260	D220-G222 VanDerWaalsContact C-N 3.27Å; D220-Q260 PolarHBondContact O-NE2 2.97Å; D220-Q260 VanDerWaalsContact O-NE2 3.08Å
221	I	94.1	Very high	93.4	Very high	9 Å²	9	41.6 Å²	41.6	5%	0.046	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-3.5	177.4	62	164.1	0	0	0	112.8	P24 C25 H152 V155 A219 I262 E309	P24-I221 HydrophobicContact CB-CG2 4.13Å; P24-I221 VanDerWaalsContact O-CG2 3.23Å; P24-I221 WeakPolarHBondContact O-CG2 3.43Å; C25-I221 HydrophobicContact CB-CD1 3.91Å; C25-I221 HydrophobicContact CB-CG2 4.35Å; H152-I221 HydrophobicContact CB-CD1 4.37Å; H152-I221 PolarHBondContact CE1-O 3.29Å; H152-I221 PolarHBondContact ND1-O 2.89Å; V155-I221 HydrophobicContact CG2-CD1 4.42Å; A219-I221 HydrophobicContact CB-CG1 4.12Å; A219-I221 PolarHBondContact O-N 3.47Å; A219-I221 VanDerWaalsContact O-N 3.08Å; I221-I262 HydrophobicContact CD1-CD1 3.99Å; I221-I262 HydrophobicContact CG1-CD1 3.87Å; I221-E309 HydrophobicContact CD1-CG 3.99Å
222	G	94.6	Very high	92.7	Very high	3 Å²	3	40 Å²	40	3%	0.031	21%	0.205	C	C	.	.			trans	-65.4	138.1	174.7	0	0	0	0	0	111.7	A219 D220 Q260 G261	A219-G222 WeakPolarHBondContact O-CA 3.18Å; A219-G222 PolarHBondContact O-N 3.12Å; D220-G222 VanDerWaalsContact C-N 3.27Å; G222-Q260 PolarHBondContact O-NE2 3.3Å; G222-G261 CarbonylContact C-O 3.55Å; G222-G261 WeakPolarHBondContact CA-O 3.48Å
223	E	92.8	Very high	92.1	Very high	77 Å²	77	44.7 Å²	44.7	36%	0.36	24%	0.239	S	C	.	.			trans	-89.6	-29.9	179.6	-66.6	-177.6	-162.5	0	0	111.1	R156 G261	R156-E223 IonicContact CZ-OE2 2.93Å; R156-E223 IonicContact NE-OE2 2.82Å; R156-E223 IonicContact NH1-OE2 3.63Å; R156-E223 PolarHBondContact NH1-OE2 2.87Å; E223-G261 PolarHBondContact N-O 3.49Å
224	D	95.5	Very high	91.5	Very high	30 Å²	30	44.6 Å²	44.6	16%	0.16	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	143.8	-175.8	-56.1	-48.1	0	0	0	111.5	H216 I226 Q260 G261 E263	H216-D224 IonicContact CE1-OD2 3.88Å; H216-D224 PolarHBondContact CE1-OD2 3.19Å; H216-D224 VanDerWaalsContact CE1-OD2 3.23Å; H216-D224 IonicContact ND1-OD2 2.79Å; D224-I226 HydrophobicContact CB-CD1 4.16Å; D224-Q260 WeakPolarHBondContact O-CA 3.4Å; D224-G261 PolarHBondContact N-O 3.44Å; D224-G261 PolarHBondContact O-N 2.75Å; D224-E263 WeakPolarHBondContact OD2-CB 3.43Å
225	R	95.6	Very high	91.1	Very high	87 Å²	87	46.1 Å²	46.1	33%	0.328	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	112.6	177.5	-53.6	-53.6	176.4	145.4	-17.9	109.6	S238 E258 Q260	R225-S238 WeakPolarHBondContact CB-OG 3.31Å; R225-S238 WeakPolarHBondContact O-CB 3.39Å; R225-S238 PolarHBondContact O-N 2.97Å; R225-E258 HydrophobicContact CB-CG 3.92Å; R225-E258 VanDerWaalsContact CD-OE1 3.3Å; R225-E258 WeakPolarHBondContact CD-OE1 3.45Å; R225-E258 IonicContact NE-OE1 2.7Å; R225-E258 IonicContact NH1-OE1 3.58Å; R225-E258 PolarHBondContact NH1-OE1 2.8Å; R225-Q260 VanDerWaalsContact CZ-CD 3.45Å; R225-Q260 VanDerWaalsContact NH2-CD 3.26Å
226	I	94.1	Very high	90.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	116.6	-175.6	-48.6	-54.4	0	0	0	109.1	A200 H216 D224 K235 N237 E258 V259	A200-I226 HydrophobicContact CB-CD1 4.32Å; A200-I226 HydrophobicContact CB-CG2 3.79Å; H216-I226 HydrophobicContact CB-CG1 4.14Å; H216-I226 VanDerWaalsContact CD2-CD1 3.47Å; H216-I226 WeakPolarHBondContact CD2-CD1 3.32Å; H216-I226 WeakPolarHBondContact NE2-CD1 2.89Å; D224-I226 HydrophobicContact CB-CD1 4.16Å; I226-K235 HydrophobicContact CG2-CB 4.29Å; I226-N237 HydrophobicContact CD1-CB 4.21Å; I226-E258 WeakPolarHBondContact O-CA 3.5Å; I226-V259 HydrophobicContact CB-CG2 3.81Å; I226-V259 HydrophobicContact CG1-CG2 4.49Å; I226-V259 PolarHBondContact N-O 3.22Å; I226-V259 PolarHBondContact O-N 3.09Å
227	L	92	Very high	90.4	Very high	35 Å²	35	46.5 Å²	46.5	18%	0.183	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	113.5	177.7	-67	173.3	0	0	0	109.2	K235 F236 F256 H257 E258	L227-K235 VanDerWaalsContact O-CA 3.28Å; L227-K235 WeakPolarHBondContact O-CA 3.45Å; L227-F236 HydrophobicContact CB-CD2 4.22Å; L227-F236 HydrophobicContact CB-CE1 4.16Å; L227-F236 HydrophobicContact CB-CE2 3.79Å; L227-F236 HydrophobicContact CB-CZ 3.74Å; L227-F236 HydrophobicContact CD1-CD2 4.24Å; L227-F236 HydrophobicContact CD1-CE2 3.38Å; L227-F236 HydrophobicContact CD1-CZ 3.78Å; L227-F236 HydrophobicContact CG-CE2 4.17Å; L227-F236 HydrophobicContact CG-CZ 4.43Å; L227-F236 PolarHBondContact N-O 3.45Å; L227-F236 PolarHBondContact O-N 3.06Å; L227-F236 VanDerWaalsContact O-N 3.09Å; L227-F256 HydrophobicContact CB-CB 4.13Å; L227-F256 HydrophobicContact CB-CD1 4.33Å; L227-F256 HydrophobicContact CB-CG 4.37Å; L227-F256 HydrophobicContact CD2-CB 4.06Å; L227-H257 WeakPolarHBondContact CA-O 2.95Å; L227-E258 HydrophobicContact CD2-CB 3.85Å; L227-E258 HydrophobicContact CD2-CG 4.15Å
228	T	89.1	Confident	89.9	Confident	31 Å²	31	49 Å²	49	19%	0.19	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127	176.5	-62.6	0	0	0	0	109.9	S230 K235 F256 H257	T228-S230 PolarHBondContact O-N 2.67Å; T228-K235 HydrophobicContact CG2-CD 4.32Å; T228-K235 HydrophobicContact CG2-CG 4.04Å; T228-F256 WeakPolarHBondContact O-CA 3.47Å; T228-H257 PolarHBondContact N-O 3.37Å; T228-H257 PolarHBondContact O-N 3.16Å
229	C	86.9	Confident	89.5	Confident	6 Å²	6	50.3 Å²	50.3	4%	0.041	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	132	176.5	-176.2	0	0	0	0	111	K231 C232 L234 C252 F256	C229-K231 VanDerWaalsContact C-N 3.25Å; C229-K231 PolarHBondContact O-N 3.47Å; C229-C232 VanDerWaalsContact CB-SG 3.5Å; C229-C232 PolarHBondContact SG-SG 2.84Å; C229-L234 HydrophobicContact CB-CB 4.41Å; C229-L234 PolarHBondContact N-O 3.33Å; C229-C252 PolarHBondContact SG-SG 2.94Å; C229-F256 HydrophobicContact CB-CD1 4.06Å; C229-F256 HydrophobicContact CB-CE1 3.79Å
230	S	82.6	Confident	89	Confident	76 Å²	76	50.9 Å²	50.9	53%	0.531	27%	0.271	S	S	.	.	S	Bend	trans	-68.5	-17.8	178.9	54.4	0	0	0	0	114.8	T228 V255	T228-S230 PolarHBondContact O-N 2.67Å; S230-V255 WeakPolarHBondContact CB-O 3.47Å; S230-V255 PolarHBondContact N-O 2.91Å; S230-V255 WeakPolarHBondContact OG-CB 3.45Å; S230-V255 PolarHBondContact OG-O 3.24Å
231	K	81.3	Confident	88	Confident	148 Å²	148	53.7 Å²	53.7	64%	0.643	28%	0.28	S	S	*	.	S	Bend	trans	-114.8	-15.6	-178.3	-69.2	-155.3	-172.8	165.4	0	115.1	C229 P253	C229-K231 VanDerWaalsContact C-N 3.25Å; C229-K231 PolarHBondContact O-N 3.47Å; K231-P253 HydrophobicContact CD-CG 3.83Å; K231-P253 HydrophobicContact CG-CG 3.91Å
232	C	81.5	Confident	86.5	Confident	26 Å²	26	57.2 Å²	57.2	18%	0.176	30%	0.302	C	S	.	.	S	Bend	trans	-140.1	169.2	-176.2	81.1	0	0	0	0	111.9	C229 L234 L249	C229-C232 VanDerWaalsContact CB-SG 3.5Å; C229-C232 PolarHBondContact SG-SG 2.84Å; C232-L234 PolarHBondContact O-N 3.34Å; C232-L234 VanDerWaalsContact SG-CB 3.51Å; C232-L249 HydrophobicContact CB-CD1 3.22Å
233	S	81.8	Confident	84.8	Confident	109 Å²	109	61 Å²	61	76%	0.762	33%	0.325	S	S	*	.	S	Bend	trans	-75.9	-2.6	-175.2	-50.7	0	0	0	0	114.6	K235	S233-K235 PolarHBondContact O-N 3.49Å; S233-K235 PolarHBondContact O-NZ 2.8Å
234	L	84.7	Confident	82.9	Confident	31 Å²	31	62.8 Å²	62.8	16%	0.162	35%	0.346	C	S	.	.			trans	-63.4	130.1	-178.7	-176.8	67.1	0	0	0	110.9	C229 C232 F236 L246 C247	C229-L234 HydrophobicContact CB-CB 4.41Å; C229-L234 PolarHBondContact N-O 3.33Å; C232-L234 PolarHBondContact O-N 3.34Å; C232-L234 VanDerWaalsContact SG-CB 3.51Å; L234-F236 HydrophobicContact CD2-CD1 4.41Å; L234-F236 HydrophobicContact CG-CD1 4.32Å; L234-L246 WeakPolarHBondContact CD1-O 3.46Å; L234-L246 HydrophobicContact CD2-CB 4.17Å; L234-L246 WeakPolarHBondContact CD2-O 3.39Å; L234-C247 HydrophobicContact CD2-CB 3.83Å
235	K	90.4	Very high	81.1	Confident	48 Å²	48	65.7 Å²	65.7	21%	0.209	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	141.2	172.3	-53.6	-176	-172.5	71.8	0	108.7	L198 A200 C201 I226 L227 T228 S233	L198-K235 HydrophobicContact CB-CD 4Å; L198-K235 HydrophobicContact CD2-CD 3.98Å; L198-K235 HydrophobicContact CG-CD 4.43Å; A200-K235 WeakPolarHBondContact CA-O 3.39Å; A200-K235 HydrophobicContact CB-CB 4.09Å; C201-K235 PolarHBondContact N-O 3.29Å; I226-K235 HydrophobicContact CG2-CB 4.29Å; L227-K235 VanDerWaalsContact O-CA 3.28Å; L227-K235 WeakPolarHBondContact O-CA 3.45Å; T228-K235 HydrophobicContact CG2-CD 4.32Å; T228-K235 HydrophobicContact CG2-CG 4.04Å; S233-K235 PolarHBondContact O-N 3.49Å; S233-K235 PolarHBondContact O-NZ 2.8Å
236	F	91	Very high	79.6	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.018	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	151	173.8	55.3	-85.3	0	0	0	110.8	C201 L227 L234 L240 V242 F256	C201-F236 HydrophobicContact CB-CB 4.23Å; C201-F236 CarbonylContact O-C 3.59Å; C201-F236 WeakPolarHBondContact O-CA 3.35Å; C201-F236 WeakPolarHBondContact O-CB 3.47Å; L227-F236 HydrophobicContact CB-CD2 4.22Å; L227-F236 HydrophobicContact CB-CE1 4.16Å; L227-F236 HydrophobicContact CB-CE2 3.79Å; L227-F236 HydrophobicContact CB-CZ 3.74Å; L227-F236 HydrophobicContact CD1-CD2 4.24Å; L227-F236 HydrophobicContact CD1-CE2 3.38Å; L227-F236 HydrophobicContact CD1-CZ 3.78Å; L227-F236 HydrophobicContact CG-CE2 4.17Å; L227-F236 HydrophobicContact CG-CZ 4.43Å; L227-F236 PolarHBondContact N-O 3.45Å; L227-F236 PolarHBondContact O-N 3.06Å; L227-F236 VanDerWaalsContact O-N 3.09Å; L234-F236 HydrophobicContact CD2-CD1 4.41Å; L234-F236 HydrophobicContact CG-CD1 4.32Å; F236-L240 HydrophobicContact CB-CD2 3.9Å; F236-V242 HydrophobicContact CD2-CG2 3.74Å; F236-V242 HydrophobicContact CE1-CG2 4.33Å; F236-V242 HydrophobicContact CE2-CG2 3.15Å; F236-V242 HydrophobicContact CZ-CG2 3.53Å; F236-F256 AromaticContact CE1-CD1 3.84Å; F236-F256 HydrophobicContact CE1-CD1 3.84Å; F236-F256 AromaticContact CE1-CE1 3.42Å; F236-F256 HydrophobicContact CE1-CE1 3.42Å; F236-F256 VanDerWaalsContact CE1-CE1 3.42Å; F236-F256 AromaticContact CE1-CZ 3.81Å; F236-F256 HydrophobicContact CE1-CZ 3.81Å; F236-F256 HydrophobicContact CZ-CD1 4.11Å; F236-F256 AromaticContact CZ-CE1 3.93Å; F236-F256 HydrophobicContact CZ-CE1 3.93Å; F236-F256 HydrophobicContact CZ-CE2 4.33Å; F236-F256 HydrophobicContact CZ-CG 4.43Å; F236-F256 HydrophobicContact CZ-CZ 4.03Å
237	N	89.9	Confident	78.1	Confident	4 Å²	4	65.3 Å²	65.3	2%	0.021	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	134.9	167.7	-171.8	-37.4	0	0	0	108.4	C201 A202 E214 I226 E239 L240	C201-N237 PolarHBondContact O-N 3.21Å; A202-N237 HydrophobicContact CB-CB 4.34Å; E214-N237 PolarHBondContact OE2-ND2 2.89Å; I226-N237 HydrophobicContact CD1-CB 4.21Å; N237-E239 PolarHBondContact O-N 3.43Å; N237-E239 VanDerWaalsContact O-N 3.09Å; N237-E239 PolarHBondContact OD1-N 3.15Å; N237-E239 VanDerWaalsContact OD1-N 3.12Å; N237-L240 VanDerWaalsContact O-CB 3.25Å; N237-L240 WeakPolarHBondContact O-CB 3.07Å; N237-L240 PolarHBondContact O-N 2.86Å
238	S	87.4	Confident	76.8	Confident	54 Å²	54	69.5 Å²	69.5	38%	0.378	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.2	-177.9	66.5	0	0	0	0	113.9	R225 L240	R225-S238 WeakPolarHBondContact CB-OG 3.31Å; R225-S238 WeakPolarHBondContact O-CB 3.39Å; R225-S238 PolarHBondContact O-N 2.97Å; S238-L240 PolarHBondContact O-N 2.77Å
239	E	86.3	Confident	75.4	Confident	143 Å²	143	71.9 Å²	71.9	67%	0.668	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-18.2	175.6	-62.3	-171.7	-179	0	0	112.7	N237 E241	N237-E239 PolarHBondContact O-N 3.43Å; N237-E239 VanDerWaalsContact O-N 3.09Å; N237-E239 PolarHBondContact OD1-N 3.15Å; N237-E239 VanDerWaalsContact OD1-N 3.12Å; E239-E241 PolarHBondContact O-N 3.49Å
240	L	84.7	Confident	74.2	Confident	29 Å²	29	81.5 Å²	81.5	15%	0.152	46%	0.463	C	S	.	.	S	Bend	trans	-70.4	121	175.8	-177.5	66.5	0	0	0	110.4	C201 F236 N237 S238 V242 L246	C201-L240 HydrophobicContact CB-CD2 3.86Å; F236-L240 HydrophobicContact CB-CD2 3.9Å; N237-L240 VanDerWaalsContact O-CB 3.25Å; N237-L240 WeakPolarHBondContact O-CB 3.07Å; N237-L240 PolarHBondContact O-N 2.86Å; S238-L240 PolarHBondContact O-N 2.77Å; L240-V242 PolarHBondContact O-N 3.49Å; L240-L246 HydrophobicContact CD2-CD1 4.05Å; L240-L246 HydrophobicContact CD2-CD2 4.26Å
241	E	71.5	Confident	73.2	Confident	177 Å²	177	82.2 Å²	82.2	83%	0.827	47%	0.468	S	S	*	.			trans	-60.4	107.6	169.1	-70.8	-168	169.3	0	0	110.5	E239 T243	E239-E241 PolarHBondContact O-N 3.49Å; E241-T243 PolarHBondContact O-N 3.03Å
242	V	63.3	Low	72.5	Confident	83 Å²	83	75.9 Å²	75.9	50%	0.503	44%	0.442	S	S	.	.			trans	-73.4	102.1	-176.4	-174.4	0	0	0	0	110.2	F236 L240 L246	F236-V242 HydrophobicContact CD2-CG2 3.74Å; F236-V242 HydrophobicContact CE1-CG2 4.33Å; F236-V242 HydrophobicContact CE2-CG2 3.15Å; F236-V242 HydrophobicContact CZ-CG2 3.53Å; L240-V242 PolarHBondContact O-N 3.49Å; V242-L246 HydrophobicContact CB-CD1 4.27Å; V242-L246 HydrophobicContact CG1-CD1 3.9Å
243	T	58.8	Low	71.6	Confident	82 Å²	82	77.5 Å²	77.5	50%	0.503	45%	0.452	S	S	.	.			trans	-76.8	152.7	166	55.4	0	0	0	0	110.9	E241 S245 L246	E241-T243 PolarHBondContact O-N 3.03Å; T243-S245 PolarHBondContact O-N 3.23Å; T243-S245 PolarHBondContact OG1-OG 2.7Å; T243-S245 VanDerWaalsContact OG1-OG 3.07Å; T243-L246 PolarHBondContact O-N 2.86Å
244	S	53	Low	71.1	Confident	115 Å²	115	79.3 Å²	79.3	80%	0.804	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-13.9	-179.8	52	0	0	0	0	114.3
245	S	57.8	Low	70.9	Confident	92 Å²	92	81.8 Å²	81.8	64%	0.643	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-12.8	-176.8	51.5	0	0	0	0	115.2	T243 C247	T243-S245 PolarHBondContact O-N 3.23Å; T243-S245 PolarHBondContact OG1-OG 2.7Å; T243-S245 VanDerWaalsContact OG1-OG 3.07Å; S245-C247 PolarHBondContact O-N 2.75Å
246	L	62.9	Low	70.6	Confident	48 Å²	48	82.7 Å²	82.7	25%	0.251	47%	0.466	S	S	.	.	S	Bend	trans	-67	-25.2	-176.3	-77.2	158.5	0	0	0	113.4	L234 L240 V242 T243	L234-L246 WeakPolarHBondContact CD1-O 3.46Å; L234-L246 HydrophobicContact CD2-CB 4.17Å; L234-L246 WeakPolarHBondContact CD2-O 3.39Å; L240-L246 HydrophobicContact CD2-CD1 4.05Å; L240-L246 HydrophobicContact CD2-CD2 4.26Å; V242-L246 HydrophobicContact CB-CD1 4.27Å; V242-L246 HydrophobicContact CG1-CD1 3.9Å; T243-L246 PolarHBondContact O-N 2.86Å
247	C	63.8	Low	70.5	Confident	30 Å²	30	88 Å²	88	20%	0.203	49%	0.491	C	S	.	.			trans	-113	111	178.4	-166.1	0	0	0	0	110.4	L234 S245 L249 C252	L234-C247 HydrophobicContact CD2-CB 3.83Å; S245-C247 PolarHBondContact O-N 2.75Å; C247-L249 PolarHBondContact O-N 2.99Å; C247-C252 WeakPolarHBondContact SG-CB 3.34Å
248	S	63.6	Low	70.7	Confident	124 Å²	124	92.4 Å²	92.4	87%	0.867	51%	0.511	S	S	*	.			trans	-71	-9.5	178.2	-38.2	0	0	0	0	113.6	Q250	S248-Q250 PolarHBondContact O-N 2.74Å
249	L	59.4	Low	71	Confident	80 Å²	80	90.3 Å²	90.3	42%	0.419	50%	0.496	S	S	.	.			trans	-85.4	103.6	177.9	-78.4	154.8	0	0	0	110	C232 C247 S251 C252	C232-L249 HydrophobicContact CB-CD1 3.22Å; C247-L249 PolarHBondContact O-N 2.99Å; L249-S251 PolarHBondContact O-N 3.48Å; L249-S251 VanDerWaalsContact O-N 3.12Å; L249-C252 HydrophobicContact CB-CB 3.91Å; L249-C252 WeakPolarHBondContact O-CB 3.17Å; L249-C252 PolarHBondContact O-N 2.99Å
250	Q	62.5	Low	71.4	Confident	209 Å²	209	86.2 Å²	86.2	98%	0.977	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-29.3	170.4	-79.9	178.6	-11	0	0	112.8	S248	S248-Q250 PolarHBondContact O-N 2.74Å
251	S	62	Low	72	Confident	91 Å²	91	84.8 Å²	84.8	64%	0.636	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	8.9	179.1	59.9	0	0	0	0	114.4	L249 P253	L249-S251 PolarHBondContact O-N 3.48Å; L249-S251 VanDerWaalsContact O-N 3.12Å; S251-P253 WeakPolarHBondContact O-CD 3.38Å
252	C	65.6	Low	73.2	Confident	15 Å²	15	76.6 Å²	76.6	10%	0.101	43%	0.432	C	S	.	.			trans	-65	119.5	176.2	-177.8	0	0	0	0	109.5	C229 C247 L249 K254	C229-C252 PolarHBondContact SG-SG 2.94Å; C247-C252 WeakPolarHBondContact SG-CB 3.34Å; L249-C252 HydrophobicContact CB-CB 3.91Å; L249-C252 WeakPolarHBondContact O-CB 3.17Å; L249-C252 PolarHBondContact O-N 2.99Å; C252-K254 PolarHBondContact O-N 2.55Å
253	P	63.7	Low	74.8	Confident	59 Å²	59	74.5 Å²	74.5	38%	0.383	42%	0.416	S	S	.	.			trans	-70.5	-3.6	-178.3	33.7	-40.6	0	0	0	112.4	K231 S251 V255	K231-P253 HydrophobicContact CD-CG 3.83Å; K231-P253 HydrophobicContact CG-CG 3.91Å; S251-P253 WeakPolarHBondContact O-CD 3.38Å; P253-V255 HydrophobicContact CB-CG2 4.05Å; P253-V255 HydrophobicContact CG-CB 4.33Å; P253-V255 HydrophobicContact CG-CG2 4.21Å; P253-V255 PolarHBondContact O-N 3.2Å
254	K	70.7	Confident	76.7	Confident	148 Å²	148	70.7 Å²	70.7	64%	0.643	39%	0.393	S	S	*	.			trans	54.7	34.2	-174.4	-57.8	-178.7	-179.1	-178.6	0	112.7	C252 F256	C252-K254 PolarHBondContact O-N 2.55Å; K254-F256 HydrophobicContact CB-CE2 3.88Å; K254-F256 HydrophobicContact CB-CZ 4.46Å; K254-F256 VanDerWaalsContact O-CD2 3.22Å; K254-F256 WeakPolarHBondContact O-CD2 3.46Å; K254-F256 WeakPolarHBondContact O-CE2 3.44Å
255	V	80.1	Confident	78.9	Confident	83 Å²	83	65.2 Å²	65.2	50%	0.503	36%	0.355	S	S	.	.			trans	-92.1	116.2	170.9	176.9	0	0	0	0	107.8	S230 P253	S230-V255 WeakPolarHBondContact CB-O 3.47Å; S230-V255 PolarHBondContact N-O 2.91Å; S230-V255 WeakPolarHBondContact OG-CB 3.45Å; S230-V255 PolarHBondContact OG-O 3.24Å; P253-V255 HydrophobicContact CB-CG2 4.05Å; P253-V255 HydrophobicContact CG-CB 4.33Å; P253-V255 HydrophobicContact CG-CG2 4.21Å; P253-V255 PolarHBondContact O-N 3.2Å
256	F	84.9	Confident	80.8	Confident	66 Å²	66	61.9 Å²	61.9	29%	0.289	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	141.1	-177.8	-60.3	-81.1	0	0	0	110.5	L227 T228 C229 F236 K254	L227-F256 HydrophobicContact CB-CB 4.13Å; L227-F256 HydrophobicContact CB-CD1 4.33Å; L227-F256 HydrophobicContact CB-CG 4.37Å; L227-F256 HydrophobicContact CD2-CB 4.06Å; T228-F256 WeakPolarHBondContact O-CA 3.47Å; C229-F256 HydrophobicContact CB-CD1 4.06Å; C229-F256 HydrophobicContact CB-CE1 3.79Å; F236-F256 AromaticContact CE1-CD1 3.84Å; F236-F256 HydrophobicContact CE1-CD1 3.84Å; F236-F256 AromaticContact CE1-CE1 3.42Å; F236-F256 HydrophobicContact CE1-CE1 3.42Å; F236-F256 VanDerWaalsContact CE1-CE1 3.42Å; F236-F256 AromaticContact CE1-CZ 3.81Å; F236-F256 HydrophobicContact CE1-CZ 3.81Å; F236-F256 HydrophobicContact CZ-CD1 4.11Å; F236-F256 AromaticContact CZ-CE1 3.93Å; F236-F256 HydrophobicContact CZ-CE1 3.93Å; F236-F256 HydrophobicContact CZ-CE2 4.33Å; F236-F256 HydrophobicContact CZ-CG 4.43Å; F236-F256 HydrophobicContact CZ-CZ 4.03Å; K254-F256 HydrophobicContact CB-CE2 3.88Å; K254-F256 HydrophobicContact CB-CZ 4.46Å; K254-F256 VanDerWaalsContact O-CD2 3.22Å; K254-F256 WeakPolarHBondContact O-CD2 3.46Å; K254-F256 WeakPolarHBondContact O-CE2 3.44Å
257	H	89.6	Confident	82.5	Confident	117 Å²	117	59.6 Å²	59.6	54%	0.542	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	134.8	165.3	171.2	-97.8	0	0	0	108.4	L227 T228 V259	L227-H257 WeakPolarHBondContact CA-O 2.95Å; T228-H257 PolarHBondContact N-O 3.37Å; T228-H257 PolarHBondContact O-N 3.16Å; H257-V259 WeakPolarHBondContact CE1-CG1 3.28Å
258	E	92.3	Very high	84.2	Confident	95 Å²	95	59 Å²	59	44%	0.444	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	132.5	177.3	-171.8	-178.2	111.7	0	0	110.2	R225 I226 L227	R225-E258 HydrophobicContact CB-CG 3.92Å; R225-E258 VanDerWaalsContact CD-OE1 3.3Å; R225-E258 WeakPolarHBondContact CD-OE1 3.45Å; R225-E258 IonicContact NE-OE1 2.7Å; R225-E258 IonicContact NH1-OE1 3.58Å; R225-E258 PolarHBondContact NH1-OE1 2.8Å; I226-E258 WeakPolarHBondContact O-CA 3.5Å; L227-E258 HydrophobicContact CD2-CB 3.85Å; L227-E258 HydrophobicContact CD2-CG 4.15Å
259	V	93.9	Very high	85.8	Confident	10 Å²	10	53.2 Å²	53.2	6%	0.061	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	153	165.9	-64.3	0	0	0	0	110.5	L198 E218 I226 H257	L198-V259 HydrophobicContact CD1-CG2 3.67Å; E218-V259 HydrophobicContact CG-CB 4.14Å; E218-V259 HydrophobicContact CG-CG1 4.42Å; I226-V259 HydrophobicContact CB-CG2 3.81Å; I226-V259 HydrophobicContact CG1-CG2 4.49Å; I226-V259 PolarHBondContact N-O 3.22Å; I226-V259 PolarHBondContact O-N 3.09Å; H257-V259 WeakPolarHBondContact CE1-CG1 3.28Å
260	Q	95.8	Very high	87.7	Confident	57 Å²	57	49.6 Å²	49.6	27%	0.266	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.2	166.7	-71.9	-175.5	-96.1	0	0	110.1	E218 A219 D220 G222 D224 R225	E218-Q260 WeakPolarHBondContact CA-O 3.43Å; A219-Q260 PolarHBondContact N-O 3.18Å; A219-Q260 VanDerWaalsContact O-CB 3.26Å; A219-Q260 WeakPolarHBondContact O-CB 3.25Å; D220-Q260 PolarHBondContact O-NE2 2.97Å; D220-Q260 VanDerWaalsContact O-NE2 3.08Å; G222-Q260 PolarHBondContact O-NE2 3.3Å; D224-Q260 WeakPolarHBondContact O-CA 3.4Å; R225-Q260 VanDerWaalsContact CZ-CD 3.45Å; R225-Q260 VanDerWaalsContact NH2-CD 3.26Å
261	G	96	Very high	89.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	151.2	-178.5	0	0	0	0	0	112.6	V217 G222 E223 D224	V217-G261 CarbonylContact O-C 3.6Å; V217-G261 WeakPolarHBondContact O-CA 3.5Å; G222-G261 CarbonylContact C-O 3.55Å; G222-G261 WeakPolarHBondContact CA-O 3.48Å; E223-G261 PolarHBondContact N-O 3.49Å; D224-G261 PolarHBondContact N-O 3.44Å; D224-G261 PolarHBondContact O-N 2.75Å
262	I	97.6	Very high	91.1	Very high	5 Å²	5	38 Å²	38	3%	0.026	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.5	161.9	-57.2	167.2	0	0	0	107.7	V155 H216 V217 A219 I221 V264 R302 V306	V155-I262 HydrophobicContact CG1-CD1 4.45Å; V155-I262 HydrophobicContact CG1-CG2 3.78Å; H216-I262 WeakPolarHBondContact CA-O 3.37Å; V217-I262 PolarHBondContact N-O 2.98Å; V217-I262 PolarHBondContact O-N 3.12Å; A219-I262 HydrophobicContact CB-CD1 3.74Å; A219-I262 HydrophobicContact CB-CG1 4.14Å; I221-I262 HydrophobicContact CD1-CD1 3.99Å; I221-I262 HydrophobicContact CG1-CD1 3.87Å; I262-V264 PolarHBondContact O-N 3.27Å; I262-R302 HydrophobicContact CG2-CG 4.29Å; I262-V306 HydrophobicContact CB-CG2 4.11Å; I262-V306 HydrophobicContact CD1-CG2 3.77Å; I262-V306 HydrophobicContact CG2-CG2 3.6Å
263	E	97.7	Very high	92.6	Very high	39 Å²	39	41.2 Å²	41.2	18%	0.182	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	111.9	171.4	-170.6	-142.5	138.3	0	0	110.9	E214 F215 H216 D224 H266 R302	E214-E263 HydrophobicContact CB-CG 4.17Å; E214-E263 HydrophobicContact CG-CG 4.12Å; F215-E263 CarbonylContact O-C 3.42Å; F215-E263 WeakPolarHBondContact O-CA 3.32Å; H216-E263 PolarHBondContact ND1-N 3.02Å; D224-E263 WeakPolarHBondContact OD2-CB 3.43Å; E263-H266 IonicContact OE1-ND1 3.41Å; E263-R302 WeakPolarHBondContact O-CD 3.34Å; E263-R302 PolarHBondContact O-NH1 3.08Å; E263-R302 IonicContact OE2-NH1 2.92Å
264	V	98.3	Very high	94.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-24.6	179	-70.4	0	0	0	0	113.2	M190 F215 V217 I262 G299 L303 V306	M190-V264 HydrophobicContact CE-CB 4.21Å; M190-V264 HydrophobicContact CE-CG2 3.41Å; M190-V264 VanDerWaalsContact CE-CG2 3.41Å; M190-V264 HydrophobicContact SD-CG2 4.16Å; F215-V264 HydrophobicContact CB-CG2 4.03Å; F215-V264 WeakPolarHBondContact O-CG2 3.15Å; F215-V264 PolarHBondContact O-N 2.97Å; V217-V264 HydrophobicContact CG2-CG1 4.06Å; V217-V264 HydrophobicContact CG2-CG2 4.04Å; I262-V264 PolarHBondContact O-N 3.27Å; V264-G299 PolarHBondContact O-N 3.32Å; V264-L303 HydrophobicContact CB-CD1 4.27Å; V264-L303 HydrophobicContact CG1-CD1 4.29Å; V264-V306 HydrophobicContact CG1-CB 4.04Å; V264-V306 HydrophobicContact CG1-CG1 3.99Å; V264-V306 HydrophobicContact CG1-CG2 3.84Å
265	A	98.6	Very high	95.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	152.8	177.3	0	0	0	0	0	111.4	Y186 M190 E214 F215 G297 L298	Y186-A265 HydrophobicContact CD2-CB 3.68Å; Y186-A265 HydrophobicContact CE2-CB 3.83Å; M190-A265 HydrophobicContact CE-CB 4.39Å; E214-A265 WeakPolarHBondContact CA-O 3.37Å; F215-A265 HydrophobicContact CB-CB 3.91Å; F215-A265 HydrophobicContact CD2-CB 4.18Å; F215-A265 HydrophobicContact CG-CB 4.19Å; F215-A265 PolarHBondContact N-O 3.34Å; A265-G297 CarbonylContact C-O 3.6Å; A265-G297 WeakPolarHBondContact CA-O 3.29Å; A265-G297 WeakPolarHBondContact CB-O 3.37Å; A265-L298 HydrophobicContact CB-CD1 3.63Å
266	H	98.2	Very high	96.4	Very high	22 Å²	22	33 Å²	33	10%	0.102	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	129.3	178.3	-156.1	156.6	0	0	0	110	S212 E213 E214 E263 F268 Y296 G297	S212-H266 PolarHBondContact OG-NE2 3.47Å; E213-H266 PolarHBondContact O-CD2 2.86Å; E214-H266 IonicContact OE1-CE1 3.16Å; E214-H266 PolarHBondContact OE1-CE1 3.3Å; E214-H266 VanDerWaalsContact OE1-CE1 3.27Å; E214-H266 IonicContact OE1-ND1 3.94Å; E214-H266 IonicContact OE1-NE2 2.73Å; E263-H266 IonicContact OE1-ND1 3.41Å; H266-F268 HydrophobicContact CB-CE2 3.84Å; H266-F268 HydrophobicContact CB-CZ 4.43Å; H266-F268 AromaticContact CD2-CD2 3.96Å; H266-F268 AromaticContact CD2-CE1 3.96Å; H266-F268 AromaticContact CD2-CE2 3.44Å; H266-F268 VanDerWaalsContact CD2-CE2 3.44Å; H266-F268 WeakPolarHBondContact CD2-CE2 3.19Å; H266-F268 AromaticContact CD2-CZ 3.46Å; H266-F268 VanDerWaalsContact CD2-CZ 3.46Å; H266-F268 WeakPolarHBondContact CD2-CZ 3.44Å; H266-F268 AromaticContact CE1-CE1 3.67Å; H266-F268 AromaticContact CE1-CE2 3.86Å; H266-F268 AromaticContact CE1-CZ 3.15Å; H266-F268 WeakPolarHBondContact CE1-CZ 3.3Å; H266-F268 AromaticContact CG-CE2 3.29Å; H266-F268 AromaticContact CG-CZ 3.45Å; H266-F268 VanDerWaalsContact CG-CZ 3.45Å; H266-F268 AromaticContact ND1-CE2 3.53Å; H266-F268 AromaticContact ND1-CZ 3.21Å; H266-F268 WeakPolarHBondContact ND1-CZ 3.37Å; H266-F268 AromaticContact NE2-CE1 3.47Å; H266-F268 WeakPolarHBondContact NE2-CE1 3.33Å; H266-F268 AromaticContact NE2-CE2 3.78Å; H266-F268 AromaticContact NE2-CZ 3.25Å; H266-F268 VanDerWaalsContact NE2-CZ 3.25Å; H266-F268 WeakPolarHBondContact NE2-CZ 3.41Å; H266-Y296 CarbonylContact O-C 3.24Å; H266-Y296 VanDerWaalsContact O-CA 3.26Å; H266-Y296 WeakPolarHBondContact O-CA 3.48Å; H266-G297 PolarHBondContact N-O 3.22Å; H266-G297 PolarHBondContact O-N 3.11Å
267	C	98.5	Very high	97	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.5	178	-60.1	0	0	0	0	110.2	Y179 S212 E213 Y296	Y179-C267 HydrophobicContact CE2-CB 3.74Å; S212-C267 WeakPolarHBondContact CA-O 3.42Å; E213-C267 PolarHBondContact N-O 2.8Å; E213-C267 PolarHBondContact O-N 2.8Å; C267-Y296 HydrophobicContact CB-CD1 3.66Å; C267-Y296 HydrophobicContact CB-CE1 4.11Å
268	F	98.5	Very high	97.4	Very high	18 Å²	18	26.7 Å²	26.7	8%	0.079	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.1	175.3	-57.1	-98.3	0	0	0	111.3	V207 I211 H266 L270 G294 C295	V207-F268 HydrophobicContact CB-CD1 4.23Å; V207-F268 HydrophobicContact CB-CE1 3.79Å; V207-F268 HydrophobicContact CB-CZ 3.97Å; V207-F268 HydrophobicContact CG1-CD1 3.79Å; V207-F268 HydrophobicContact CG1-CD2 4.13Å; V207-F268 HydrophobicContact CG1-CE1 3.81Å; V207-F268 HydrophobicContact CG1-CE2 4.14Å; V207-F268 HydrophobicContact CG1-CG 3.94Å; V207-F268 HydrophobicContact CG1-CZ 3.96Å; V207-F268 HydrophobicContact CG2-CE1 4.42Å; V207-F268 HydrophobicContact CG2-CZ 4.11Å; I211-F268 WeakPolarHBondContact O-CA 3.44Å; H266-F268 HydrophobicContact CB-CE2 3.84Å; H266-F268 HydrophobicContact CB-CZ 4.43Å; H266-F268 AromaticContact CD2-CD2 3.96Å; H266-F268 AromaticContact CD2-CE1 3.96Å; H266-F268 AromaticContact CD2-CE2 3.44Å; H266-F268 VanDerWaalsContact CD2-CE2 3.44Å; H266-F268 WeakPolarHBondContact CD2-CE2 3.19Å; H266-F268 AromaticContact CD2-CZ 3.46Å; H266-F268 VanDerWaalsContact CD2-CZ 3.46Å; H266-F268 WeakPolarHBondContact CD2-CZ 3.44Å; H266-F268 AromaticContact CE1-CE1 3.67Å; H266-F268 AromaticContact CE1-CE2 3.86Å; H266-F268 AromaticContact CE1-CZ 3.15Å; H266-F268 WeakPolarHBondContact CE1-CZ 3.3Å; H266-F268 AromaticContact CG-CE2 3.29Å; H266-F268 AromaticContact CG-CZ 3.45Å; H266-F268 VanDerWaalsContact CG-CZ 3.45Å; H266-F268 AromaticContact ND1-CE2 3.53Å; H266-F268 AromaticContact ND1-CZ 3.21Å; H266-F268 WeakPolarHBondContact ND1-CZ 3.37Å; H266-F268 AromaticContact NE2-CE1 3.47Å; H266-F268 WeakPolarHBondContact NE2-CE1 3.33Å; H266-F268 AromaticContact NE2-CE2 3.78Å; H266-F268 AromaticContact NE2-CZ 3.25Å; H266-F268 VanDerWaalsContact NE2-CZ 3.25Å; H266-F268 WeakPolarHBondContact NE2-CZ 3.41Å; F268-L270 HydrophobicContact CB-CD2 3.65Å; F268-L270 HydrophobicContact CB-CG 4.2Å; F268-L270 HydrophobicContact CG-CD2 4.35Å; F268-G294 CarbonylContact O-C 3.58Å; F268-G294 WeakPolarHBondContact O-CA 3.39Å; F268-C295 VanDerWaalsContact CD2-SG 3.6Å; F268-C295 PolarHBondContact N-O 3.27Å; F268-C295 PolarHBondContact O-N 3.08Å
269	L	98.4	Very high	97.6	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	101.6	160.9	-176.1	63	0	0	0	107.7	A175 E176 Y179 G209 L210 I211	A175-L269 HydrophobicContact CB-CD1 3.69Å; E176-L269 HydrophobicContact CG-CD2 3.82Å; Y179-L269 HydrophobicContact CD2-CB 3.89Å; Y179-L269 HydrophobicContact CE2-CB 4.22Å; G209-L269 CarbonylContact C-O 3.55Å; G209-L269 VanDerWaalsContact CA-O 3.24Å; G209-L269 WeakPolarHBondContact CA-O 3.28Å; L210-L269 HydrophobicContact CB-CD2 4.37Å; L210-L269 HydrophobicContact CB-CG 4.45Å; L210-L269 HydrophobicContact CD1-CD2 4.32Å; L210-L269 HydrophobicContact CD1-CG 4.46Å; L210-L269 PolarHBondContact N-O 2.9Å; I211-L269 HydrophobicContact CB-CB 3.84Å; I211-L269 HydrophobicContact CD1-CB 4.34Å; I211-L269 HydrophobicContact CD1-CD2 3.73Å; I211-L269 HydrophobicContact CG1-CB 4.15Å; I211-L269 HydrophobicContact CG1-CD2 4.09Å; I211-L269 PolarHBondContact N-O 3.46Å; I211-L269 PolarHBondContact O-N 2.84Å
270	L	98.1	Very high	97.8	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-18.9	-170.5	-59.5	175.3	0	0	0	113.7	E116 V207 G208 F268 R273 Y274 M293 C295	E116-L270 HydrophobicContact CG-CD1 4.36Å; V207-L270 HydrophobicContact CG1-CD2 3.81Å; G208-L270 WeakPolarHBondContact O-CD2 3.41Å; F268-L270 HydrophobicContact CB-CD2 3.65Å; F268-L270 HydrophobicContact CB-CG 4.2Å; F268-L270 HydrophobicContact CG-CD2 4.35Å; L270-R273 PolarHBondContact O-N 3.05Å; L270-Y274 HydrophobicContact CB-CD2 4.39Å; L270-Y274 HydrophobicContact CD1-CD2 3.69Å; L270-Y274 HydrophobicContact CD1-CE2 3.78Å; L270-Y274 HydrophobicContact CD2-CE2 3.99Å; L270-Y274 HydrophobicContact CG-CD2 4.43Å; L270-Y274 HydrophobicContact CG-CE2 4.34Å; L270-M293 WeakPolarHBondContact CA-O 3.3Å; L270-M293 HydrophobicContact CB-CB 4.03Å; L270-M293 WeakPolarHBondContact CB-O 3.25Å; L270-M293 HydrophobicContact CD1-CB 4.19Å; L270-M293 PolarHBondContact N-O 3.15Å; L270-C295 HydrophobicContact CD1-CB 3.73Å; L270-C295 VanDerWaalsContact CD1-SG 3.57Å; L270-C295 HydrophobicContact CG-CB 4.43Å
271	G	98.1	Very high	97.9	Very high	4 Å²	4	27.2 Å²	27.2	4%	0.041	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62	-137.5	-170.4	0	0	0	0	0	110.6	M293	G271-M293 PolarHBondContact N-O 3.4Å; G271-M293 PolarHBondContact O-N 3.05Å
272	E	97.9	Very high	98	Very high	53 Å²	53	27.9 Å²	27.9	25%	0.248	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	2.9	-177.5	-59.9	176.8	133	0	0	113.5	Y274 S275 K276 L290 F292	E272-Y274 PolarHBondContact O-N 3.36Å; E272-S275 VanDerWaalsContact C-OG 3.3Å; E272-S275 VanDerWaalsContact CA-OG 3.26Å; E272-S275 WeakPolarHBondContact CA-OG 3.48Å; E272-S275 WeakPolarHBondContact CB-OG 3.45Å; E272-S275 PolarHBondContact O-N 2.82Å; E272-S275 VanDerWaalsContact O-N 3.16Å; E272-S275 PolarHBondContact O-OG 3.32Å; E272-K276 HydrophobicContact CB-CD 4.07Å; E272-K276 HydrophobicContact CB-CG 4.16Å; E272-K276 WeakPolarHBondContact O-CG 3.24Å; E272-K276 PolarHBondContact O-N 3.49Å; E272-K276 WeakPolarHBondContact OE2-CE 3.37Å; E272-K276 IonicContact OE2-NZ 2.72Å; E272-K276 PolarHBondContact OE2-NZ 2.86Å; E272-L290 HydrophobicContact CG-CB 4.35Å; E272-F292 HydrophobicContact CG-CD1 4.21Å; E272-F292 HydrophobicContact CG-CD2 4.41Å; E272-F292 HydrophobicContact CG-CE1 3.88Å; E272-F292 HydrophobicContact CG-CE2 4.09Å; E272-F292 HydrophobicContact CG-CG 4.46Å; E272-F292 HydrophobicContact CG-CZ 3.82Å
273	R	97.1	Very high	98.1	Very high	82 Å²	82	35 Å²	35	31%	0.309	16%	0.163	S	C	.	.	H	α-helix	trans	-47.7	-59.1	-167.6	177.8	-179.9	173.1	170.4	-1.1	113.1	N206 V207 L270 C277	N206-R273 VanDerWaalsContact O-CZ 3.24Å; N206-R273 PolarHBondContact O-NH1 3.04Å; N206-R273 PolarHBondContact O-NH2 3.41Å; V207-R273 PolarHBondContact O-NH1 3.04Å; L270-R273 PolarHBondContact O-N 3.05Å; R273-C277 PolarHBondContact O-SG 3.09Å; R273-C277 VanDerWaalsContact O-SG 3.42Å
274	Y	98.2	Very high	98	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-77.2	-36	-177.8	-65.5	-91.9	0	0	0	111.4	R90 E116 V207 L270 E272 K276 C277 F278	R90-Y274 WeakPolarHBondContact CD-OH 3.48Å; R90-Y274 PolarHBondContact NH1-OH 2.97Å; R90-Y274 VanDerWaalsContact NH1-OH 3.17Å; E116-Y274 HydrophobicContact CB-CD1 3.67Å; E116-Y274 HydrophobicContact CB-CD2 4.27Å; E116-Y274 HydrophobicContact CB-CE1 3.46Å; E116-Y274 VanDerWaalsContact CB-CE1 3.46Å; E116-Y274 HydrophobicContact CB-CE2 4.08Å; E116-Y274 HydrophobicContact CB-CG 4.07Å; E116-Y274 HydrophobicContact CG-CE1 4.19Å; E116-Y274 HydrophobicContact CG-CE2 4.07Å; V207-Y274 PolarHBondContact O-OH 3.47Å; L270-Y274 HydrophobicContact CB-CD2 4.39Å; L270-Y274 HydrophobicContact CD1-CD2 3.69Å; L270-Y274 HydrophobicContact CD1-CE2 3.78Å; L270-Y274 HydrophobicContact CD2-CE2 3.99Å; L270-Y274 HydrophobicContact CG-CD2 4.43Å; L270-Y274 HydrophobicContact CG-CE2 4.34Å; E272-Y274 PolarHBondContact O-N 3.36Å; Y274-K276 PolarHBondContact O-N 3.01Å; Y274-C277 WeakPolarHBondContact O-CB 3.38Å; Y274-C277 PolarHBondContact O-N 3.35Å; Y274-F278 VanDerWaalsContact O-CD2 3.31Å; Y274-F278 WeakPolarHBondContact O-CD2 3.4Å; Y274-F278 PolarHBondContact O-N 2.97Å
275	S	98.1	Very high	97.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-55.8	-36.5	176.5	72	0	0	0	0	112.5	E272 F278 D279 A280 L290 M291	E272-S275 VanDerWaalsContact C-OG 3.3Å; E272-S275 VanDerWaalsContact CA-OG 3.26Å; E272-S275 WeakPolarHBondContact CA-OG 3.48Å; E272-S275 WeakPolarHBondContact CB-OG 3.45Å; E272-S275 PolarHBondContact O-N 2.82Å; E272-S275 VanDerWaalsContact O-N 3.16Å; E272-S275 PolarHBondContact O-OG 3.32Å; S275-F278 PolarHBondContact O-N 3.21Å; S275-D279 WeakPolarHBondContact O-CA 3.35Å; S275-D279 PolarHBondContact O-N 3.45Å; S275-A280 PolarHBondContact O-N 3.34Å; S275-L290 WeakPolarHBondContact O-CD2 3.41Å; S275-M291 VanDerWaalsContact CB-O 3.23Å; S275-M291 WeakPolarHBondContact CB-O 3.45Å; S275-M291 PolarHBondContact OG-O 3.49Å; S275-M291 VanDerWaalsContact OG-O 3.1Å
276	K	97.9	Very high	97.8	Very high	118 Å²	118	43.9 Å²	43.9	51%	0.513	23%	0.227	S	C	.	.	H	α-helix	trans	-65.5	-37.5	174.1	-74.7	173.6	178	163.3	0	112.8	E272 Y274 F278 L290	E272-K276 HydrophobicContact CB-CD 4.07Å; E272-K276 HydrophobicContact CB-CG 4.16Å; E272-K276 WeakPolarHBondContact O-CG 3.24Å; E272-K276 PolarHBondContact O-N 3.49Å; E272-K276 WeakPolarHBondContact OE2-CE 3.37Å; E272-K276 IonicContact OE2-NZ 2.72Å; E272-K276 PolarHBondContact OE2-NZ 2.86Å; Y274-K276 PolarHBondContact O-N 3.01Å; K276-F278 VanDerWaalsContact C-N 3.28Å; K276-F278 PolarHBondContact O-N 2.82Å; K276-L290 HydrophobicContact CD-CD1 4.38Å; K276-L290 HydrophobicContact CG-CD1 3.52Å
277	C	97.6	Very high	97.6	Very high	40 Å²	40	44.6 Å²	44.6	27%	0.27	24%	0.24	S	C	.	.	H	α-helix	trans	-69.9	-23.9	179.8	-64.3	0	0	0	0	113.6	K87 R273 Y274	K87-C277 PolarHBondContact O-SG 2.86Å; R273-C277 PolarHBondContact O-SG 3.09Å; R273-C277 VanDerWaalsContact O-SG 3.42Å; Y274-C277 WeakPolarHBondContact O-CB 3.38Å; Y274-C277 PolarHBondContact O-N 3.35Å
278	F	97.9	Very high	97.6	Very high	10 Å²	10	48.3 Å²	48.3	4%	0.044	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126	11.3	-170.8	-64.1	-80.6	0	0	0	113.8	I84 K87 E117 T120 N121 Y274 S275 K276 A280	I84-F278 HydrophobicContact CB-CE1 3.95Å; I84-F278 HydrophobicContact CB-CZ 4.27Å; I84-F278 HydrophobicContact CG2-CE1 4.31Å; I84-F278 VanDerWaalsContact O-CZ 3.29Å; I84-F278 WeakPolarHBondContact O-CZ 3.47Å; K87-F278 HydrophobicContact CB-CE1 4.06Å; K87-F278 HydrophobicContact CB-CZ 4.14Å; K87-F278 HydrophobicContact CD-CD1 4.03Å; K87-F278 HydrophobicContact CD-CE1 3.87Å; E117-F278 HydrophobicContact CB-CE2 4.12Å; E117-F278 HydrophobicContact CB-CZ 3.66Å; E117-F278 HydrophobicContact CG-CE2 4.19Å; E117-F278 HydrophobicContact CG-CZ 3.88Å; T120-F278 HydrophobicContact CG2-CB 3.86Å; T120-F278 HydrophobicContact CG2-CD2 3.82Å; T120-F278 HydrophobicContact CG2-CG 4.17Å; N121-F278 HydrophobicContact CB-CD1 3.69Å; N121-F278 HydrophobicContact CB-CE1 4.07Å; N121-F278 HydrophobicContact CB-CG 4.32Å; Y274-F278 VanDerWaalsContact O-CD2 3.31Å; Y274-F278 WeakPolarHBondContact O-CD2 3.4Å; Y274-F278 PolarHBondContact O-N 2.97Å; S275-F278 PolarHBondContact O-N 3.21Å; K276-F278 VanDerWaalsContact C-N 3.28Å; K276-F278 PolarHBondContact O-N 2.82Å; F278-A280 PolarHBondContact O-N 3.45Å; F278-A280 VanDerWaalsContact O-N 3.13Å
279	D	97.6	Very high	97.6	Very high	127 Å²	127	51.9 Å²	51.9	68%	0.679	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	36.5	-176	-59.3	-54	0	0	0	113.1	S275 T281	S275-D279 WeakPolarHBondContact O-CA 3.35Å; S275-D279 PolarHBondContact O-N 3.45Å; D279-T281 VanDerWaalsContact C-N 3.34Å; D279-T281 PolarHBondContact O-N 3.02Å
280	A	98	Very high	97.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.291	C	S	.	.			trans	-76.1	89	-176.8	0	0	0	0	0	109.7	T120 A124 S275 F278 M291	T120-A280 HydrophobicContact CG2-CB 3.58Å; A124-A280 HydrophobicContact CB-CB 3.81Å; S275-A280 PolarHBondContact O-N 3.34Å; F278-A280 PolarHBondContact O-N 3.45Å; F278-A280 VanDerWaalsContact O-N 3.13Å; A280-M291 HydrophobicContact CB-CE 3.79Å; A280-M291 WeakPolarHBondContact O-CE 3.21Å; A280-M291 PolarHBondContact O-N 2.85Å; A280-M291 VanDerWaalsContact O-N 3.08Å
281	T	98.4	Very high	97.6	Very high	45 Å²	45	53.6 Å²	53.6	28%	0.276	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	159	-174.7	59.8	0	0	0	0	112.7	D279 S288 K289 L290 M291	D279-T281 VanDerWaalsContact C-N 3.34Å; D279-T281 PolarHBondContact O-N 3.02Å; T281-S288 WeakPolarHBondContact CB-OG 3.49Å; T281-S288 PolarHBondContact OG1-OG 3.23Å; T281-K289 CarbonylContact C-O 3.59Å; T281-K289 WeakPolarHBondContact CA-O 3.38Å; T281-K289 VanDerWaalsContact CB-O 3.24Å; T281-K289 WeakPolarHBondContact CB-O 3.49Å; T281-L290 HydrophobicContact CG2-CD2 3.81Å; T281-L290 HydrophobicContact CG2-CG 4.27Å; T281-M291 WeakPolarHBondContact O-CE 3.18Å
282	Y	98.3	Very high	97.6	Very high	14 Å²	14	55.3 Å²	55.3	6%	0.055	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	150	170.1	72	-87.5	0	0	0	110.9	L128 L133 A170 S284 S288 K289 M291	L128-Y282 WeakPolarHBondContact O-CA 3.3Å; L133-Y282 HydrophobicContact CD1-CD1 3.59Å; L133-Y282 HydrophobicContact CD1-CD2 3.92Å; L133-Y282 HydrophobicContact CD1-CE1 3.99Å; L133-Y282 HydrophobicContact CD1-CE2 4.31Å; L133-Y282 HydrophobicContact CD1-CG 3.54Å; A170-Y282 HydrophobicContact CB-CE1 4.32Å; A170-Y282 HydrophobicContact CB-CE2 4.43Å; A170-Y282 PolarHBondContact O-OH 3.05Å; Y282-S284 PolarHBondContact O-N 3.37Å; Y282-S288 WeakPolarHBondContact O-CA 3.07Å; Y282-K289 HydrophobicContact CD1-CB 4.25Å; Y282-K289 VanDerWaalsContact CD1-O 3.25Å; Y282-K289 WeakPolarHBondContact CD1-O 3.34Å; Y282-K289 HydrophobicContact CE1-CB 3.66Å; Y282-K289 HydrophobicContact CE2-CB 4.43Å; Y282-K289 PolarHBondContact N-O 3.13Å; Y282-K289 PolarHBondContact O-N 2.91Å; Y282-M291 HydrophobicContact CD1-CG 3.72Å; Y282-M291 HydrophobicContact CG-CG 4.45Å
283	R	97.8	Very high	97.7	Very high	156 Å²	156	52.8 Å²	52.8	59%	0.589	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	119.2	175.7	-67.2	178.2	-74.8	169.8	-5.2	110.6	N127 L128 Y130	N127-R283 PolarHBondContact O-NE 2.85Å; N127-R283 PolarHBondContact O-NH2 3.11Å; L128-R283 PolarHBondContact O-N 3.29Å; Y130-R283 PolarHBondContact N-O 3.47Å
284	S	96.8	Very high	97.7	Very high	20 Å²	20	48.9 Å²	48.9	14%	0.14	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	163.6	171.9	85.9	0	0	0	0	111.1	Y282 S286 G287	Y282-S284 PolarHBondContact O-N 3.37Å; S284-S286 PolarHBondContact O-N 3.33Å; S284-S286 VanDerWaalsContact O-N 3.1Å; S284-S286 PolarHBondContact OG-N 3.28Å; S284-S286 VanDerWaalsContact OG-N 3.17Å; S284-S286 PolarHBondContact OG-OG 2.85Å; S284-G287 WeakPolarHBondContact CB-O 3.45Å; S284-G287 PolarHBondContact N-O 3.07Å; S284-G287 PolarHBondContact O-N 2.88Å; S284-G287 PolarHBondContact OG-N 2.87Å; S284-G287 PolarHBondContact OG-O 3.13Å
285	P	96	Very high	97.7	Very high	118 Å²	118	49 Å²	49	77%	0.766	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-23.2	172.1	-26.4	36	0	0	0	114.2	Y130	Y130-P285 HydrophobicContact CE1-CG 4.13Å
286	S	95.7	Very high	97.8	Very high	88 Å²	88	49.2 Å²	49.2	62%	0.615	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	11.9	178.7	55.9	0	0	0	0	113.7	S284 K289	S284-S286 PolarHBondContact O-N 3.33Å; S284-S286 VanDerWaalsContact O-N 3.1Å; S284-S286 PolarHBondContact OG-N 3.28Å; S284-S286 VanDerWaalsContact OG-N 3.17Å; S284-S286 PolarHBondContact OG-OG 2.85Å; S286-K289 WeakPolarHBondContact OG-CE 3.42Å; S286-K289 PolarHBondContact OG-NZ 3.35Å; S286-K289 VanDerWaalsContact OG-NZ 3.12Å
287	G	95.7	Very high	97.8	Very high	37 Å²	37	44.2 Å²	44.2	38%	0.381	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	105.1	-174.7	-176.2	0	0	0	0	0	113.7	S284	S284-G287 WeakPolarHBondContact CB-O 3.45Å; S284-G287 PolarHBondContact N-O 3.07Å; S284-G287 PolarHBondContact O-N 2.88Å; S284-G287 PolarHBondContact OG-N 2.87Å; S284-G287 PolarHBondContact OG-O 3.13Å
288	S	97.4	Very high	97.8	Very high	78 Å²	78	42.3 Å²	42.3	55%	0.545	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	134.5	179.6	-150.2	0	0	0	0	110.9	T281 Y282	T281-S288 WeakPolarHBondContact CB-OG 3.49Å; T281-S288 PolarHBondContact OG1-OG 3.23Å; Y282-S288 WeakPolarHBondContact O-CA 3.07Å
289	K	98.1	Very high	97.9	Very high	94 Å²	94	42.1 Å²	42.1	41%	0.409	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.2	178.4	-68.5	-172.4	178.4	178.4	0	110.6	T281 Y282 S286	T281-K289 CarbonylContact C-O 3.59Å; T281-K289 WeakPolarHBondContact CA-O 3.38Å; T281-K289 VanDerWaalsContact CB-O 3.24Å; T281-K289 WeakPolarHBondContact CB-O 3.49Å; Y282-K289 HydrophobicContact CD1-CB 4.25Å; Y282-K289 VanDerWaalsContact CD1-O 3.25Å; Y282-K289 WeakPolarHBondContact CD1-O 3.34Å; Y282-K289 HydrophobicContact CE1-CB 3.66Å; Y282-K289 HydrophobicContact CE2-CB 4.43Å; Y282-K289 PolarHBondContact N-O 3.13Å; Y282-K289 PolarHBondContact O-N 2.91Å; S286-K289 WeakPolarHBondContact OG-CE 3.42Å; S286-K289 PolarHBondContact OG-NZ 3.35Å; S286-K289 VanDerWaalsContact OG-NZ 3.12Å
290	L	98.4	Very high	97.9	Very high	41 Å²	41	36.1 Å²	36.1	22%	0.215	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	145.7	173.6	-70.7	165.8	0	0	0	110.7	E272 S275 K276 T281	E272-L290 HydrophobicContact CG-CB 4.35Å; S275-L290 WeakPolarHBondContact O-CD2 3.41Å; K276-L290 HydrophobicContact CD-CD1 4.38Å; K276-L290 HydrophobicContact CG-CD1 3.52Å; T281-L290 HydrophobicContact CG2-CD2 3.81Å; T281-L290 HydrophobicContact CG2-CG 4.27Å
291	M	98.6	Very high	97.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-83	136.9	173.7	-70.4	177.1	-84.7	0	0	110.4	V123 L128 L133 F168 S275 A280 T281 Y282	V123-M291 HydrophobicContact CG1-CE 3.86Å; V123-M291 HydrophobicContact CG1-SD 4.13Å; L128-M291 HydrophobicContact CD1-SD 4.23Å; L133-M291 HydrophobicContact CD1-CG 4.4Å; L133-M291 HydrophobicContact CD2-SD 4.07Å; F168-M291 HydrophobicContact CB-CB 4.29Å; F168-M291 HydrophobicContact CB-CG 4.5Å; F168-M291 HydrophobicContact CB-SD 3.87Å; F168-M291 HydrophobicContact CD1-CB 4.15Å; F168-M291 HydrophobicContact CD1-CE 4.43Å; F168-M291 HydrophobicContact CD1-SD 4.04Å; F168-M291 HydrophobicContact CG-SD 4.29Å; S275-M291 VanDerWaalsContact CB-O 3.23Å; S275-M291 WeakPolarHBondContact CB-O 3.45Å; S275-M291 PolarHBondContact OG-O 3.49Å; S275-M291 VanDerWaalsContact OG-O 3.1Å; A280-M291 HydrophobicContact CB-CE 3.79Å; A280-M291 WeakPolarHBondContact O-CE 3.21Å; A280-M291 PolarHBondContact O-N 2.85Å; A280-M291 VanDerWaalsContact O-N 3.08Å; T281-M291 WeakPolarHBondContact O-CE 3.18Å; Y282-M291 HydrophobicContact CD1-CG 3.72Å; Y282-M291 HydrophobicContact CG-CG 4.45Å
292	F	98.6	Very high	97.9	Very high	40 Å²	40	35.9 Å²	35.9	18%	0.175	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.9	169.8	-76.1	-101.9	0	0	0	109	F168 D169 V172 A175 E272	F168-F292 CarbonylContact C-O 3.42Å; F168-F292 WeakPolarHBondContact CA-O 3.32Å; D169-F292 HydrophobicContact CB-CB 4.34Å; D169-F292 PolarHBondContact N-O 3.06Å; D169-F292 PolarHBondContact O-N 3.38Å; V172-F292 HydrophobicContact CB-CD1 3.91Å; V172-F292 HydrophobicContact CB-CE1 3.76Å; V172-F292 HydrophobicContact CB-CZ 4.44Å; A175-F292 HydrophobicContact CB-CB 3.83Å; E272-F292 HydrophobicContact CG-CD1 4.21Å; E272-F292 HydrophobicContact CG-CD2 4.41Å; E272-F292 HydrophobicContact CG-CE1 3.88Å; E272-F292 HydrophobicContact CG-CE2 4.09Å; E272-F292 HydrophobicContact CG-CG 4.46Å; E272-F292 HydrophobicContact CG-CZ 3.82Å
293	M	98.5	Very high	97.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.4	-171.5	-65.4	-175.2	64.6	0	0	112.7	T120 T167 F168 L270 G271	T120-M293 HydrophobicContact CG2-CE 4.31Å; T120-M293 HydrophobicContact CG2-SD 3.84Å; T120-M293 WeakPolarHBondContact OG1-CE 3.32Å; T167-M293 VanDerWaalsContact O-CA 3.28Å; T167-M293 WeakPolarHBondContact O-CA 3.23Å; F168-M293 HydrophobicContact CD1-CE 4.23Å; F168-M293 HydrophobicContact CD1-CG 3.92Å; F168-M293 HydrophobicContact CD1-SD 4.22Å; F168-M293 HydrophobicContact CE1-CE 3.42Å; F168-M293 VanDerWaalsContact CE1-CE 3.42Å; F168-M293 HydrophobicContact CE1-CG 4.03Å; F168-M293 HydrophobicContact CE1-SD 3.75Å; F168-M293 HydrophobicContact CZ-CE 3.66Å; L270-M293 WeakPolarHBondContact CA-O 3.3Å; L270-M293 HydrophobicContact CB-CB 4.03Å; L270-M293 WeakPolarHBondContact CB-O 3.25Å; L270-M293 HydrophobicContact CD1-CB 4.19Å; L270-M293 PolarHBondContact N-O 3.15Å; G271-M293 PolarHBondContact N-O 3.4Å; G271-M293 PolarHBondContact O-N 3.05Å
294	G	98.7	Very high	97.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.6	159.4	0	0	0	0	0	110	Y166 T167 F268 Y296	Y166-G294 WeakPolarHBondContact CA-O 3.32Å; T167-G294 PolarHBondContact N-O 3.34Å; T167-G294 PolarHBondContact O-N 3.35Å; T167-G294 VanDerWaalsContact OG1-CA 3.3Å; T167-G294 WeakPolarHBondContact OG1-CA 3.27Å; T167-G294 PolarHBondContact OG1-N 3.13Å; T167-G294 VanDerWaalsContact OG1-N 3.14Å; T167-G294 PolarHBondContact OG1-O 2.93Å; F268-G294 CarbonylContact O-C 3.58Å; F268-G294 WeakPolarHBondContact O-CA 3.39Å; G294-Y296 VanDerWaalsContact C-CE2 3.49Å
295	C	98.6	Very high	98	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.02	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.1	170.7	71.9	0	0	0	0	110.4	E116 I165 Y166 F268 L270	E116-C295 HydrophobicContact CG-CB 4.33Å; I165-C295 WeakPolarHBondContact O-CA 3.48Å; Y166-C295 HydrophobicContact CD1-CB 3.58Å; Y166-C295 HydrophobicContact CE1-CB 3.57Å; F268-C295 VanDerWaalsContact CD2-SG 3.6Å; F268-C295 PolarHBondContact N-O 3.27Å; F268-C295 PolarHBondContact O-N 3.08Å; L270-C295 HydrophobicContact CD1-CB 3.73Å; L270-C295 VanDerWaalsContact CD1-SG 3.57Å; L270-C295 HydrophobicContact CG-CB 4.43Å
296	Y	98.7	Very high	98.1	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.016	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	129.7	-173.8	-39.7	-107.9	0	0	0	108.4	D164 I165 T167 Y179 V182 Y186 H266 C267 G294	D164-Y296 CarbonylContact C-O 3.56Å; D164-Y296 WeakPolarHBondContact CA-O 3.36Å; I165-Y296 HydrophobicContact CG2-CD2 3.78Å; I165-Y296 HydrophobicContact CG2-CG 4.01Å; I165-Y296 PolarHBondContact N-O 2.99Å; I165-Y296 WeakPolarHBondContact O-CD2 3.44Å; I165-Y296 PolarHBondContact O-N 3.45Å; T167-Y296 HydrophobicContact CG2-CD2 4.38Å; T167-Y296 HydrophobicContact CG2-CE2 3.69Å; Y179-Y296 WeakPolarHBondContact CA-OH 3.23Å; Y179-Y296 WeakPolarHBondContact CB-OH 3.41Å; Y179-Y296 AromaticContact CD2-CE1 3.51Å; Y179-Y296 HydrophobicContact CD2-CE1 3.51Å; Y179-Y296 AromaticContact CD2-CZ 3.87Å; Y179-Y296 WeakPolarHBondContact CD2-OH 3.45Å; Y179-Y296 AromaticContact CE2-CE1 3.95Å; Y179-Y296 HydrophobicContact CE2-CE1 3.95Å; Y179-Y296 HydrophobicContact CG-CE1 4.1Å; V182-Y296 HydrophobicContact CB-CD1 3.92Å; V182-Y296 HydrophobicContact CB-CD2 4.39Å; V182-Y296 HydrophobicContact CB-CE1 3.83Å; V182-Y296 HydrophobicContact CB-CE2 4.33Å; V182-Y296 HydrophobicContact CB-CG 4.24Å; V182-Y296 HydrophobicContact CG1-CD1 3.52Å; V182-Y296 HydrophobicContact CG1-CD2 3.87Å; V182-Y296 HydrophobicContact CG1-CE1 3.97Å; V182-Y296 HydrophobicContact CG1-CE2 4.31Å; V182-Y296 HydrophobicContact CG1-CG 3.5Å; V182-Y296 HydrophobicContact CG2-CD2 4.4Å; V182-Y296 HydrophobicContact CG2-CE1 4.42Å; V182-Y296 HydrophobicContact CG2-CE2 4.13Å; Y186-Y296 WeakPolarHBondContact OH-CB 3.45Å; Y186-Y296 PolarHBondContact OH-O 3.42Å; H266-Y296 CarbonylContact O-C 3.24Å; H266-Y296 VanDerWaalsContact O-CA 3.26Å; H266-Y296 WeakPolarHBondContact O-CA 3.48Å; C267-Y296 HydrophobicContact CB-CD1 3.66Å; C267-Y296 HydrophobicContact CB-CE1 4.11Å; G294-Y296 VanDerWaalsContact C-CE2 3.49Å
297	G	98.4	Very high	98.3	Very high	13 Å²	13	17.2 Å²	17.2	13%	0.134	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.4	179.3	0	0	0	0	0	110.8	Q163 A265 H266	Q163-G297 CarbonylContact O-C 3.58Å; Q163-G297 WeakPolarHBondContact O-CA 3.2Å; A265-G297 CarbonylContact C-O 3.6Å; A265-G297 WeakPolarHBondContact CA-O 3.29Å; A265-G297 WeakPolarHBondContact CB-O 3.37Å; H266-G297 PolarHBondContact N-O 3.22Å; H266-G297 PolarHBondContact O-N 3.11Å
298	L	98.7	Very high	98.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	112.1	172.3	179.9	73.4	0	0	0	108.4	V62 M162 Q163 Y186 L189 M190 A265 I300 L303	V62-L298 HydrophobicContact CG1-CD2 4.3Å; V62-L298 HydrophobicContact CG2-CD2 3.7Å; M162-L298 WeakPolarHBondContact CA-O 3.36Å; M162-L298 WeakPolarHBondContact CG-O 3.44Å; Q163-L298 HydrophobicContact CB-CB 4.31Å; Q163-L298 PolarHBondContact N-O 3.34Å; Q163-L298 PolarHBondContact O-N 3.13Å; Y186-L298 HydrophobicContact CE1-CB 4.21Å; Y186-L298 HydrophobicContact CE1-CD2 4.49Å; Y186-L298 HydrophobicContact CE2-CB 4.32Å; L189-L298 HydrophobicContact CD2-CD2 3.42Å; L189-L298 VanDerWaalsContact CD2-CD2 3.42Å; M190-L298 HydrophobicContact CE-CD1 3.78Å; A265-L298 HydrophobicContact CB-CD1 3.63Å; L298-I300 HydrophobicContact CD2-CD1 3.93Å; L298-I300 HydrophobicContact CG-CD1 4.23Å; L298-I300 PolarHBondContact O-N 3.25Å; L298-L303 HydrophobicContact CD1-CD2 3.99Å; L298-L303 HydrophobicContact CD2-CD2 4.19Å; L298-L303 HydrophobicContact CG-CD2 4.23Å
299	G	98.4	Very high	98.4	Very high	7 Å²	7	12.2 Å²	12.2	7%	0.072	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	97	-178.1	0	0	0	0	0	111	L161 V264 R302 L303	L161-G299 CarbonylContact O-C 3.5Å; V264-G299 PolarHBondContact O-N 3.32Å; G299-R302 PolarHBondContact O-N 3.42Å; G299-L303 WeakPolarHBondContact O-CB 3.24Å; G299-L303 PolarHBondContact O-N 2.76Å
300	I	98.5	Very high	98.4	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.1	-49.6	-174.4	-58.4	-57.5	0	0	0	112.2	L55 L58 E59 V62 I140 L161 Q163 L298 R302 L303 L304	L55-I300 HydrophobicContact CD2-CG2 3.99Å; L58-I300 HydrophobicContact CD2-CG2 3.92Å; L58-I300 WeakPolarHBondContact CD2-O 3.23Å; L58-I300 HydrophobicContact CG-CG2 4.19Å; E59-I300 HydrophobicContact CG-CG2 4.14Å; V62-I300 HydrophobicContact CB-CD1 4.43Å; V62-I300 HydrophobicContact CG1-CD1 4.4Å; V62-I300 HydrophobicContact CG2-CD1 3.77Å; I140-I300 HydrophobicContact CG2-CG1 3.84Å; L161-I300 HydrophobicContact CB-CB 4.11Å; L161-I300 PolarHBondContact O-N 2.75Å; Q163-I300 HydrophobicContact CB-CD1 3.98Å; Q163-I300 HydrophobicContact CB-CG1 4.15Å; L298-I300 HydrophobicContact CD2-CD1 3.93Å; L298-I300 HydrophobicContact CG-CD1 4.23Å; L298-I300 PolarHBondContact O-N 3.25Å; I300-R302 VanDerWaalsContact C-N 3.32Å; I300-R302 PolarHBondContact O-N 3.25Å; I300-L303 PolarHBondContact O-N 2.92Å; I300-L304 PolarHBondContact O-N 3.08Å
301	S	98.1	Very high	98.4	Very high	2 Å²	2	9 Å²	9	1%	0.014	5%	0.046	C	C	.	.	H	α-helix	trans	-69.2	-33.2	179.1	56.1	0	0	0	0	112.4	F160 L161 A305	F160-S301 WeakPolarHBondContact CB-OG 3.35Å; L161-S301 PolarHBondContact N-OG 3.18Å; L161-S301 VanDerWaalsContact N-OG 3.16Å; L161-S301 PolarHBondContact O-N 2.71Å; S301-A305 PolarHBondContact O-N 2.76Å
302	R	98.2	Very high	98.3	Very high	39 Å²	39	9 Å²	9	15%	0.147	5%	0.046	C	C	.	.	H	α-helix	trans	-66.1	-51.3	173.6	175.7	178.6	-63.8	179.5	-7.9	110.9	L154 V155 I262 E263 G299 I300 L304 A305 V306	L154-R302 WeakPolarHBondContact O-CA 3.32Å; V155-R302 PolarHBondContact O-NE 3.41Å; V155-R302 PolarHBondContact O-NH2 3.25Å; I262-R302 HydrophobicContact CG2-CG 4.29Å; E263-R302 WeakPolarHBondContact O-CD 3.34Å; E263-R302 PolarHBondContact O-NH1 3.08Å; E263-R302 IonicContact OE2-NH1 2.92Å; G299-R302 PolarHBondContact O-N 3.42Å; I300-R302 VanDerWaalsContact C-N 3.32Å; I300-R302 PolarHBondContact O-N 3.25Å; R302-L304 VanDerWaalsContact C-N 3.28Å; R302-L304 PolarHBondContact O-N 3.49Å; R302-A305 PolarHBondContact O-N 3.23Å; R302-V306 HydrophobicContact CG-CG2 4.15Å; R302-V306 WeakPolarHBondContact O-CG2 3.21Å; R302-V306 PolarHBondContact O-N 2.9Å
303	L	98.5	Very high	98.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-56.6	-43	179.6	179.6	60.4	0	0	0	110.9	L58 L189 M190 L193 L195 V264 L298 G299 I300 A305 V306 C307	L58-L303 HydrophobicContact CD1-CD2 4.1Å; L58-L303 HydrophobicContact CD2-CB 4.38Å; L58-L303 HydrophobicContact CD2-CD2 4.24Å; L58-L303 HydrophobicContact CD2-CG 4.29Å; L189-L303 HydrophobicContact CD2-CD2 4.29Å; M190-L303 HydrophobicContact CE-CD1 4.13Å; M190-L303 HydrophobicContact SD-CD1 3.81Å; L193-L303 HydrophobicContact CD1-CD1 4.14Å; L193-L303 HydrophobicContact CD1-CD2 3.68Å; L193-L303 HydrophobicContact CD1-CG 4Å; L195-L303 HydrophobicContact CD2-CD1 3.69Å; V264-L303 HydrophobicContact CB-CD1 4.27Å; V264-L303 HydrophobicContact CG1-CD1 4.29Å; L298-L303 HydrophobicContact CD1-CD2 3.99Å; L298-L303 HydrophobicContact CD2-CD2 4.19Å; L298-L303 HydrophobicContact CG-CD2 4.23Å; G299-L303 WeakPolarHBondContact O-CB 3.24Å; G299-L303 PolarHBondContact O-N 2.76Å; I300-L303 PolarHBondContact O-N 2.92Å; L303-A305 PolarHBondContact O-N 3.02Å; L303-V306 PolarHBondContact O-N 3.04Å; L303-C307 WeakPolarHBondContact O-CB 3.5Å; L303-C307 PolarHBondContact O-N 3.18Å; L303-C307 PolarHBondContact O-SG 3.29Å
304	L	98.5	Very high	98.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-57.1	-50.1	173.6	-179.1	65	0	0	0	111.9	V51 L55 L58 I300 R302 V306 C307 I308 W329 I333	V51-L304 HydrophobicContact CG1-CD2 4.05Å; L55-L304 HydrophobicContact CD2-CB 4.19Å; L55-L304 HydrophobicContact CD2-CD2 3.59Å; L55-L304 HydrophobicContact CG-CD2 3.67Å; L58-L304 HydrophobicContact CD2-CB 4.12Å; I300-L304 PolarHBondContact O-N 3.08Å; R302-L304 VanDerWaalsContact C-N 3.28Å; R302-L304 PolarHBondContact O-N 3.49Å; L304-V306 VanDerWaalsContact C-N 3.34Å; L304-V306 PolarHBondContact O-N 3.19Å; L304-C307 PolarHBondContact O-N 3.38Å; L304-I308 HydrophobicContact CD1-CD1 4.26Å; L304-I308 HydrophobicContact CG-CD1 4.02Å; L304-I308 WeakPolarHBondContact O-CD1 3.46Å; L304-I308 VanDerWaalsContact O-CG1 3.24Å; L304-I308 WeakPolarHBondContact O-CG1 3.19Å; L304-I308 PolarHBondContact O-N 2.83Å; L304-W329 HydrophobicContact CD1-CE3 3.95Å; L304-W329 HydrophobicContact CD1-CZ3 3.91Å; L304-W329 HydrophobicContact CD2-CZ3 4.39Å; L304-W329 HydrophobicContact CG-CZ3 4.36Å; L304-I333 HydrophobicContact CD1-CD1 3.78Å
305	A	98.1	Very high	98.1	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-64.5	-38	179.1	0	0	0	0	0	112.7	S27 L154 V155 S301 R302 L303 I308 E309	S27-A305 PolarHBondContact OG-O 3Å; L154-A305 HydrophobicContact CB-CB 3.86Å; L154-A305 HydrophobicContact CG-CB 4.5Å; V155-A305 HydrophobicContact CG2-CB 4.37Å; S301-A305 PolarHBondContact O-N 2.76Å; R302-A305 PolarHBondContact O-N 3.23Å; L303-A305 PolarHBondContact O-N 3.02Å; A305-I308 PolarHBondContact O-N 3.14Å; A305-E309 WeakPolarHBondContact O-CB 3.48Å; A305-E309 PolarHBondContact O-N 3.03Å
306	V	98.4	Very high	98	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.012	10%	0.097	C	C	.	.	H	α-helix	trans	-66.4	-43.2	177.1	174.8	0	0	0	0	111.4	L195 V217 I262 V264 R302 L303 L304 I308 E309 H310	L195-V306 HydrophobicContact CD1-CG1 4.29Å; L195-V306 HydrophobicContact CD2-CG1 4.17Å; V217-V306 HydrophobicContact CB-CG1 3.6Å; V217-V306 HydrophobicContact CG1-CG1 3.63Å; V217-V306 HydrophobicContact CG2-CG1 3.76Å; I262-V306 HydrophobicContact CB-CG2 4.11Å; I262-V306 HydrophobicContact CD1-CG2 3.77Å; I262-V306 HydrophobicContact CG2-CG2 3.6Å; V264-V306 HydrophobicContact CG1-CB 4.04Å; V264-V306 HydrophobicContact CG1-CG1 3.99Å; V264-V306 HydrophobicContact CG1-CG2 3.84Å; R302-V306 HydrophobicContact CG-CG2 4.15Å; R302-V306 WeakPolarHBondContact O-CG2 3.21Å; R302-V306 PolarHBondContact O-N 2.9Å; L303-V306 PolarHBondContact O-N 3.04Å; L304-V306 VanDerWaalsContact C-N 3.34Å; L304-V306 PolarHBondContact O-N 3.19Å; V306-I308 VanDerWaalsContact C-N 3.32Å; V306-I308 PolarHBondContact O-N 3.27Å; V306-E309 PolarHBondContact O-N 3.02Å; V306-H310 WeakPolarHBondContact O-CB 3Å; V306-H310 PolarHBondContact O-N 3.16Å
307	C	98.5	Very high	97.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57.3	-46.2	172.3	-72.6	0	0	0	0	111.5	L303 L304 L311 P330	L303-C307 WeakPolarHBondContact O-CB 3.5Å; L303-C307 PolarHBondContact O-N 3.18Å; L303-C307 PolarHBondContact O-SG 3.29Å; L304-C307 PolarHBondContact O-N 3.38Å; C307-L311 VanDerWaalsContact O-CB 3.31Å; C307-L311 WeakPolarHBondContact O-CB 3.15Å; C307-L311 VanDerWaalsContact O-CG 3.29Å; C307-L311 WeakPolarHBondContact O-CG 3.31Å; C307-L311 PolarHBondContact O-N 3.25Å; C307-P330 HydrophobicContact CB-CG 3.63Å
308	I	98.3	Very high	97.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.1	-46.9	178.8	-64.6	162.5	0	0	0	110.8	L31 L304 A305 V306 T312 L327 R328 W329	L31-I308 HydrophobicContact CD1-CD1 4.16Å; L31-I308 HydrophobicContact CD2-CD1 4.16Å; L304-I308 HydrophobicContact CD1-CD1 4.26Å; L304-I308 HydrophobicContact CG-CD1 4.02Å; L304-I308 WeakPolarHBondContact O-CD1 3.46Å; L304-I308 VanDerWaalsContact O-CG1 3.24Å; L304-I308 WeakPolarHBondContact O-CG1 3.19Å; L304-I308 PolarHBondContact O-N 2.83Å; A305-I308 PolarHBondContact O-N 3.14Å; V306-I308 VanDerWaalsContact C-N 3.32Å; V306-I308 PolarHBondContact O-N 3.27Å; I308-T312 WeakPolarHBondContact O-CB 3.44Å; I308-T312 PolarHBondContact O-N 3.23Å; I308-T312 PolarHBondContact O-OG1 3.01Å; I308-L327 HydrophobicContact CG2-CD2 3.43Å; I308-L327 VanDerWaalsContact CG2-CD2 3.43Å; I308-R328 WeakPolarHBondContact CA-O 3.37Å; I308-W329 HydrophobicContact CD1-CD2 4.36Å; I308-W329 HydrophobicContact CD1-CE3 3.58Å; I308-W329 HydrophobicContact CD1-CH2 3.76Å; I308-W329 HydrophobicContact CD1-CZ3 3.25Å; I308-W329 HydrophobicContact CG1-CD2 4.14Å; I308-W329 HydrophobicContact CG1-CE3 3.64Å; I308-W329 HydrophobicContact CG1-CZ3 3.89Å
309	E	97.9	Very high	97.6	Very high	10 Å²	10	32.5 Å²	32.5	5%	0.047	18%	0.175	C	C	.	.	H	α-helix	trans	-56.5	-57	178.9	-174	69.5	-150.2	0	0	109.9	C25 V26 S27 I221 A305 V306 T312 R313	C25-E309 PolarHBondContact SG-OE2 2.96Å; V26-E309 PolarHBondContact N-OE1 3.38Å; V26-E309 VanDerWaalsContact N-OE1 3.13Å; V26-E309 PolarHBondContact N-OE2 2.83Å; S27-E309 WeakPolarHBondContact CB-OE2 3.17Å; S27-E309 PolarHBondContact N-OE2 3.23Å; S27-E309 PolarHBondContact OG-OE2 2.88Å; I221-E309 HydrophobicContact CD1-CG 3.99Å; A305-E309 WeakPolarHBondContact O-CB 3.48Å; A305-E309 PolarHBondContact O-N 3.03Å; V306-E309 PolarHBondContact O-N 3.02Å; E309-T312 PolarHBondContact O-N 3.2Å; E309-R313 WeakPolarHBondContact O-CB 3.44Å; E309-R313 WeakPolarHBondContact O-CG 3.37Å; E309-R313 PolarHBondContact O-N 3.23Å
310	H	97.8	Very high	97.4	Very high	43 Å²	43	34.9 Å²	34.9	20%	0.199	19%	0.19	C	C	.	.	H	α-helix	trans	-59.3	-56.6	-176	178.8	74.1	0	0	0	111.8	L195 P196 V306 T312 R313 V314	L195-H310 HydrophobicContact CD1-CB 3.78Å; P196-H310 WeakPolarHBondContact CD-NE2 3.47Å; P196-H310 WeakPolarHBondContact CG-CE1 3.44Å; P196-H310 WeakPolarHBondContact CG-NE2 3.42Å; V306-H310 WeakPolarHBondContact O-CB 3Å; V306-H310 PolarHBondContact O-N 3.16Å; H310-T312 VanDerWaalsContact C-N 3.29Å; H310-T312 PolarHBondContact O-N 3.41Å; H310-R313 PolarHBondContact O-N 2.8Å; H310-R313 VanDerWaalsContact O-N 3.15Å; H310-V314 WeakPolarHBondContact O-CG2 3.48Å; H310-V314 PolarHBondContact O-N 2.98Å
311	L	97.9	Very high	97.1	Very high	24 Å²	24	37.3 Å²	37.3	13%	0.126	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-33.9	-175.6	-65.6	173.2	0	0	0	112.1	E194 C307 A315 R328 W329 P330	E194-L311 HydrophobicContact CB-CD2 4.45Å; C307-L311 VanDerWaalsContact O-CB 3.31Å; C307-L311 WeakPolarHBondContact O-CB 3.15Å; C307-L311 VanDerWaalsContact O-CG 3.29Å; C307-L311 WeakPolarHBondContact O-CG 3.31Å; C307-L311 PolarHBondContact O-N 3.25Å; L311-A315 VanDerWaalsContact O-CB 3.27Å; L311-A315 WeakPolarHBondContact O-CB 3.33Å; L311-A315 PolarHBondContact O-N 2.91Å; L311-R328 HydrophobicContact CB-CB 3.88Å; L311-W329 VanDerWaalsContact CD1-C 3.47Å; L311-P330 HydrophobicContact CD1-CB 4.18Å; L311-P330 HydrophobicContact CD1-CG 3.69Å
312	T	98	Very high	96.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.7	-41.3	175.8	-61	0	0	0	0	111.1	V26 L30 I308 E309 H310 A315 F316 I324 Q326 R328	V26-T312 HydrophobicContact CG1-CG2 3.73Å; L30-T312 HydrophobicContact CD1-CG2 4.06Å; I308-T312 WeakPolarHBondContact O-CB 3.44Å; I308-T312 PolarHBondContact O-N 3.23Å; I308-T312 PolarHBondContact O-OG1 3.01Å; E309-T312 PolarHBondContact O-N 3.2Å; H310-T312 VanDerWaalsContact C-N 3.29Å; H310-T312 PolarHBondContact O-N 3.41Å; T312-A315 PolarHBondContact O-N 3.29Å; T312-F316 HydrophobicContact CG2-CD2 4.26Å; T312-F316 VanDerWaalsContact O-CD2 3.29Å; T312-F316 WeakPolarHBondContact O-CD2 3.33Å; T312-F316 PolarHBondContact O-N 3.44Å; T312-I324 HydrophobicContact CG2-CD1 4.4Å; T312-I324 HydrophobicContact CG2-CG2 3.5Å; T312-I324 VanDerWaalsContact CG2-CG2 3.5Å; T312-Q326 WeakPolarHBondContact CG2-O 3.4Å; T312-R328 PolarHBondContact OG1-N 3.22Å
313	R	96.6	Very high	96.6	Very high	67 Å²	67	45.3 Å²	45.3	25%	0.253	24%	0.243	S	C	.	.	H	α-helix	trans	-66.3	-42.5	177.4	-69.5	-60.5	-57.5	141.3	3.8	111.8	E309 H310 A315 F316 K319	E309-R313 WeakPolarHBondContact O-CB 3.44Å; E309-R313 WeakPolarHBondContact O-CG 3.37Å; E309-R313 PolarHBondContact O-N 3.23Å; H310-R313 PolarHBondContact O-N 2.8Å; H310-R313 VanDerWaalsContact O-N 3.15Å; R313-A315 VanDerWaalsContact C-N 3.35Å; R313-F316 CarbonylContact O-C 3.51Å; R313-F316 PolarHBondContact O-N 3.42Å; R313-K319 PolarHBondContact NH1-O 3.48Å
314	V	96.4	Very high	96.4	Very high	90 Å²	90	45.3 Å²	45.3	55%	0.545	24%	0.243	S	C	.	.	H	α-helix	trans	-65.5	-36.4	177.4	170.6	0	0	0	0	112.1	H310 F316 P317	H310-V314 WeakPolarHBondContact O-CG2 3.48Å; H310-V314 PolarHBondContact O-N 2.98Å; V314-F316 VanDerWaalsContact C-N 3.26Å; V314-F316 PolarHBondContact O-N 3.12Å; V314-P317 WeakPolarHBondContact O-CD 3.33Å
315	A	97.1	Very high	96.2	Very high	43 Å²	43	47.6 Å²	47.6	36%	0.355	26%	0.256	S	S	.	.	H	α-helix	trans	-71.7	-18	178.8	0	0	0	0	0	114.2	L311 T312 R313 R328	L311-A315 VanDerWaalsContact O-CB 3.27Å; L311-A315 WeakPolarHBondContact O-CB 3.33Å; L311-A315 PolarHBondContact O-N 2.91Å; T312-A315 PolarHBondContact O-N 3.29Å; R313-A315 VanDerWaalsContact C-N 3.35Å; A315-R328 HydrophobicContact CB-CG 3.65Å
316	F	96.9	Very high	96.1	Very high	26 Å²	26	49.2 Å²	49.2	11%	0.114	26%	0.264	C	S	.	.			trans	-134.4	62.3	-178	-56.3	-68.2	0	0	0	111.8	T312 R313 V314 D318 K319 I324 Q326	T312-F316 HydrophobicContact CG2-CD2 4.26Å; T312-F316 VanDerWaalsContact O-CD2 3.29Å; T312-F316 WeakPolarHBondContact O-CD2 3.33Å; T312-F316 PolarHBondContact O-N 3.44Å; R313-F316 CarbonylContact O-C 3.51Å; R313-F316 PolarHBondContact O-N 3.42Å; V314-F316 VanDerWaalsContact C-N 3.26Å; V314-F316 PolarHBondContact O-N 3.12Å; F316-D318 VanDerWaalsContact C-N 3.3Å; F316-D318 PolarHBondContact O-N 2.81Å; F316-K319 HydrophobicContact CB-CB 4.1Å; F316-K319 HydrophobicContact CB-CD 4.21Å; F316-K319 HydrophobicContact CB-CG 4.29Å; F316-K319 HydrophobicContact CD1-CD 4.15Å; F316-K319 HydrophobicContact CG-CD 4.39Å; F316-K319 PolarHBondContact O-N 3.49Å; F316-I324 HydrophobicContact CB-CD1 3.75Å; F316-I324 HydrophobicContact CB-CG1 3.81Å; F316-I324 HydrophobicContact CD2-CD1 4.29Å; F316-I324 HydrophobicContact CD2-CG1 4.28Å; F316-I324 HydrophobicContact CD2-CG2 3.83Å; F316-I324 HydrophobicContact CE2-CG2 4.31Å; F316-I324 HydrophobicContact CG-CD1 4.45Å; F316-I324 HydrophobicContact CG-CG1 4.29Å; F316-Q326 HydrophobicContact CE2-CB 3.92Å; F316-Q326 WeakPolarHBondContact CE2-O 3.45Å; F316-Q326 HydrophobicContact CZ-CB 3.73Å; F316-Q326 HydrophobicContact CZ-CG 4.29Å
317	P	95.7	Very high	96.1	Very high	90 Å²	90	49.1 Å²	49.1	58%	0.584	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-34.6	-173.5	27.3	-34	0	0	0	112.3	V314 K319	V314-P317 WeakPolarHBondContact O-CD 3.33Å; P317-K319 VanDerWaalsContact C-N 3.29Å; P317-K319 PolarHBondContact O-N 2.78Å
318	D	96.5	Very high	96.1	Very high	158 Å²	158	49.7 Å²	49.7	85%	0.845	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-2	-177.9	-53.2	-50	0	0	0	113.7	F316	F316-D318 VanDerWaalsContact C-N 3.3Å; F316-D318 PolarHBondContact O-N 2.81Å
319	K	95.4	Very high	96.1	Very high	81 Å²	81	49.8 Å²	49.8	35%	0.352	27%	0.266	S	S	.	.	S	Bend	trans	-103.3	135.3	-179	-64.7	-170.8	-180	-178.2	0	111.4	R313 F316 P317 Q323 I324	R313-K319 PolarHBondContact NH1-O 3.48Å; F316-K319 HydrophobicContact CB-CB 4.1Å; F316-K319 HydrophobicContact CB-CD 4.21Å; F316-K319 HydrophobicContact CB-CG 4.29Å; F316-K319 HydrophobicContact CD1-CD 4.15Å; F316-K319 HydrophobicContact CG-CD 4.39Å; F316-K319 PolarHBondContact O-N 3.49Å; P317-K319 VanDerWaalsContact C-N 3.29Å; P317-K319 PolarHBondContact O-N 2.78Å; K319-Q323 HydrophobicContact CB-CB 4.12Å; K319-I324 HydrophobicContact CB-CG1 3.77Å
320	S	93.7	Very high	96.1	Very high	56 Å²	56	49.4 Å²	49.4	39%	0.392	26%	0.264	S	S	.	.			trans	-62.2	157.5	167.9	81.7	0	0	0	0	110.7	D322 Q323 I324	S320-D322 PolarHBondContact O-N 2.82Å; S320-D322 VanDerWaalsContact O-N 3.13Å; S320-Q323 PolarHBondContact O-N 3.35Å; S320-Q323 WeakPolarHBondContact OG-CG 3.39Å; S320-Q323 PolarHBondContact OG-N 2.98Å; S320-Q323 PolarHBondContact OG-OE1 3.34Å; S320-I324 PolarHBondContact O-N 2.97Å
321	K	92.4	Very high	96	Very high	51 Å²	51	48.3 Å²	48.3	22%	0.222	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-36.1	179.1	-66.3	-176.2	177.7	-175.9	0	111.9	P24 V26 K29	P24-K321 VanDerWaalsContact O-CD 3.29Å; P24-K321 WeakPolarHBondContact O-CD 3.34Å; P24-K321 WeakPolarHBondContact O-CE 3.39Å; P24-K321 PolarHBondContact O-NZ 3.13Å; V26-K321 HydrophobicContact CG2-CB 3.77Å; V26-K321 HydrophobicContact CG2-CD 4.3Å; V26-K321 HydrophobicContact CG2-CG 3.77Å; K29-K321 PolarHBondContact NZ-O 3.26Å
322	D	91	Very high	95.7	Very high	91 Å²	91	52.5 Å²	52.5	49%	0.487	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-35.6	178.6	-66.5	-42.2	0	0	0	113.3	S22 K29 S320 I324	S22-D322 WeakPolarHBondContact CB-OD1 3.43Å; S22-D322 PolarHBondContact OG-OD1 2.66Å; S22-D322 PolarHBondContact OG-OD2 3.25Å; K29-D322 PolarHBondContact NZ-O 3.43Å; S320-D322 PolarHBondContact O-N 2.82Å; S320-D322 VanDerWaalsContact O-N 3.13Å; D322-I324 VanDerWaalsContact C-N 3.33Å; D322-I324 PolarHBondContact O-N 3.43Å
323	Q	94.5	Very high	95.6	Very high	119 Å²	119	52.5 Å²	52.5	56%	0.556	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-21	-179.6	-72.4	173	-36.8	0	0	113.9	K319 S320 T325	K319-Q323 HydrophobicContact CB-CB 4.12Å; S320-Q323 PolarHBondContact O-N 3.35Å; S320-Q323 WeakPolarHBondContact OG-CG 3.39Å; S320-Q323 PolarHBondContact OG-N 2.98Å; S320-Q323 PolarHBondContact OG-OE1 3.34Å; Q323-T325 PolarHBondContact O-N 2.9Å
324	I	95.8	Very high	95.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.263	C	S	.	.			trans	-68.6	128.1	175.1	-64.6	-178.8	0	0	0	109.7	V26 K29 L30 T312 F316 K319 S320 D322	V26-I324 HydrophobicContact CG1-CB 4.27Å; V26-I324 HydrophobicContact CG1-CD1 4.42Å; V26-I324 HydrophobicContact CG1-CG2 3.95Å; K29-I324 PolarHBondContact NZ-O 2.94Å; L30-I324 HydrophobicContact CD1-CG2 4.03Å; T312-I324 HydrophobicContact CG2-CD1 4.4Å; T312-I324 HydrophobicContact CG2-CG2 3.5Å; T312-I324 VanDerWaalsContact CG2-CG2 3.5Å; F316-I324 HydrophobicContact CB-CD1 3.75Å; F316-I324 HydrophobicContact CB-CG1 3.81Å; F316-I324 HydrophobicContact CD2-CD1 4.29Å; F316-I324 HydrophobicContact CD2-CG1 4.28Å; F316-I324 HydrophobicContact CD2-CG2 3.83Å; F316-I324 HydrophobicContact CE2-CG2 4.31Å; F316-I324 HydrophobicContact CG-CD1 4.45Å; F316-I324 HydrophobicContact CG-CG1 4.29Å; K319-I324 HydrophobicContact CB-CG1 3.77Å; S320-I324 PolarHBondContact O-N 2.97Å; D322-I324 VanDerWaalsContact C-N 3.33Å; D322-I324 PolarHBondContact O-N 3.43Å
325	T	94.3	Very high	95.5	Very high	47 Å²	47	45 Å²	45	29%	0.288	24%	0.237	S	C	.	.			trans	-127.3	-3.1	178.7	53.6	0	0	0	0	113.1	Y34 Q323 R395	Y34-T325 WeakPolarHBondContact CE2-O 3.49Å; Y34-T325 VanDerWaalsContact CZ-O 3.32Å; Y34-T325 PolarHBondContact OH-O 3.45Å; Q323-T325 PolarHBondContact O-N 2.9Å; T325-R395 WeakPolarHBondContact O-CG 3.43Å
326	Q	96.1	Very high	95.3	Very high	35 Å²	35	43.2 Å²	43.2	16%	0.164	22%	0.221	C	C	.	.			trans	-117.7	132	-177.8	-56.5	-178.9	18.8	0	0	110.7	T312 F316 R395	T312-Q326 WeakPolarHBondContact CG2-O 3.4Å; F316-Q326 HydrophobicContact CE2-CB 3.92Å; F316-Q326 WeakPolarHBondContact CE2-O 3.45Å; F316-Q326 HydrophobicContact CZ-CB 3.73Å; F316-Q326 HydrophobicContact CZ-CG 4.29Å; Q326-R395 HydrophobicContact CG-CG 4.41Å
327	L	97.6	Very high	95.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.217	C	C	.	.			trans	-73.2	149.4	173.2	-71.9	162.1	0	0	0	110.4	L30 L31 Y34 L36 I308 W329 R395 G397	L30-L327 HydrophobicContact CB-CD1 4.47Å; L30-L327 HydrophobicContact CB-CD2 3.52Å; L30-L327 HydrophobicContact CB-CG 3.89Å; L30-L327 HydrophobicContact CD1-CD2 3.81Å; L30-L327 HydrophobicContact CD1-CG 4.03Å; L30-L327 HydrophobicContact CG-CD2 4.34Å; L31-L327 HydrophobicContact CD2-CD1 4.41Å; L31-L327 HydrophobicContact CD2-CD2 4.43Å; Y34-L327 HydrophobicContact CD2-CD1 4.05Å; L36-L327 HydrophobicContact CD1-CD1 3.63Å; I308-L327 HydrophobicContact CG2-CD2 3.43Å; I308-L327 VanDerWaalsContact CG2-CD2 3.43Å; L327-W329 HydrophobicContact CD1-CZ2 3.9Å; L327-R395 PolarHBondContact N-O 3.02Å; L327-G397 WeakPolarHBondContact O-CA 3.49Å
328	R	98.3	Very high	95.2	Very high	13 Å²	13	37.9 Å²	37.9	5%	0.049	19%	0.189	C	C	.	.			trans	-126.8	137.7	161.9	-64.6	-67.9	179.6	-89.7	7.8	108.8	I308 L311 T312 A315 V417 Y418	I308-R328 WeakPolarHBondContact CA-O 3.37Å; L311-R328 HydrophobicContact CB-CB 3.88Å; T312-R328 PolarHBondContact OG1-N 3.22Å; A315-R328 HydrophobicContact CB-CG 3.65Å; R328-V417 PolarHBondContact NH2-O 3.38Å; R328-Y418 HydrophobicContact CB-CE1 4.15Å; R328-Y418 HydrophobicContact CG-CE1 4.45Å
329	W	98	Very high	95.1	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	15%	0.149	C	C	.	.			trans	-121.6	155.1	178.9	-48.5	82.9	0	0	0	107.6	L31 L36 V51 S54 L304 I308 L311 L327 V331 A334 P335 L396 Y418	L31-W329 HydrophobicContact CD2-CH2 3.86Å; L31-W329 HydrophobicContact CD2-CZ2 4.39Å; L36-W329 HydrophobicContact CD1-CZ2 4.28Å; V51-W329 HydrophobicContact CG2-CH2 4.14Å; S54-W329 WeakPolarHBondContact OG-CZ3 3.26Å; L304-W329 HydrophobicContact CD1-CE3 3.95Å; L304-W329 HydrophobicContact CD1-CZ3 3.91Å; L304-W329 HydrophobicContact CD2-CZ3 4.39Å; L304-W329 HydrophobicContact CG-CZ3 4.36Å; I308-W329 HydrophobicContact CD1-CD2 4.36Å; I308-W329 HydrophobicContact CD1-CE3 3.58Å; I308-W329 HydrophobicContact CD1-CH2 3.76Å; I308-W329 HydrophobicContact CD1-CZ3 3.25Å; I308-W329 HydrophobicContact CG1-CD2 4.14Å; I308-W329 HydrophobicContact CG1-CE3 3.64Å; I308-W329 HydrophobicContact CG1-CZ3 3.89Å; L311-W329 VanDerWaalsContact CD1-C 3.47Å; L327-W329 HydrophobicContact CD1-CZ2 3.9Å; W329-V331 PolarHBondContact O-N 3.44Å; W329-V331 VanDerWaalsContact O-N 3.14Å; W329-A334 HydrophobicContact CB-CB 4.04Å; W329-A334 HydrophobicContact CG-CB 4.27Å; W329-P335 HydrophobicContact CZ2-CG 4.31Å; W329-L396 PolarHBondContact NE1-O 3.36Å; W329-Y418 PolarHBondContact N-OH 3.01Å; W329-Y418 WeakPolarHBondContact O-CE1 3.39Å; W329-Y418 PolarHBondContact O-OH 2.91Å
330	P	97.3	Very high	95.2	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.013	13%	0.132	C	C	.	.			trans	-57.3	126	160.6	-15.2	27.5	0	0	0	107.1	L193 C307 L311 R332 I333 A334	L193-P330 HydrophobicContact CB-CG 4.4Å; L193-P330 HydrophobicContact CD2-CB 4.1Å; L193-P330 HydrophobicContact CD2-CG 4.07Å; C307-P330 HydrophobicContact CB-CG 3.63Å; L311-P330 HydrophobicContact CD1-CB 4.18Å; L311-P330 HydrophobicContact CD1-CG 3.69Å; P330-R332 PolarHBondContact O-N 2.83Å; P330-I333 HydrophobicContact CB-CD1 4.35Å; P330-I333 HydrophobicContact CB-CG1 3.95Å; P330-I333 HydrophobicContact CG-CD1 3.8Å; P330-I333 HydrophobicContact CG-CG1 3.87Å; P330-I333 CarbonylContact O-C 3.6Å; P330-I333 WeakPolarHBondContact O-CG1 3.43Å; P330-I333 PolarHBondContact O-N 3.38Å; P330-A334 PolarHBondContact O-N 2.81Å
331	V	95.6	Very high	95.4	Very high	20 Å²	20	23.8 Å²	23.8	12%	0.121	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-56.4	-32.1	-165.2	174.3	0	0	0	0	112.3	W329 I333 A334 P399 Y418 P437 A438	W329-V331 PolarHBondContact O-N 3.44Å; W329-V331 VanDerWaalsContact O-N 3.14Å; V331-I333 VanDerWaalsContact C-N 3.3Å; V331-I333 PolarHBondContact O-N 3.04Å; V331-A334 PolarHBondContact O-N 2.92Å; V331-P399 HydrophobicContact CG1-CB 4Å; V331-P399 HydrophobicContact CG1-CG 3.87Å; V331-Y418 HydrophobicContact CG2-CD1 3.95Å; V331-Y418 HydrophobicContact CG2-CE1 3.91Å; V331-Y418 HydrophobicContact CG2-CG 4.45Å; V331-P437 VanDerWaalsContact CG1-C 3.41Å; V331-P437 HydrophobicContact CG1-CB 3.68Å; V331-P437 HydrophobicContact CG1-CG 4.04Å; V331-A438 HydrophobicContact CB-CB 3.98Å; V331-A438 HydrophobicContact CG1-CB 3.82Å
332	R	92.4	Very high	95.6	Very high	112 Å²	112	22.2 Å²	22.2	42%	0.423	11%	0.107	S	C	.	.	G	3₁₀ helix	trans	-64.4	-27.3	175.8	-76.4	178.8	-146.8	-73.9	-8.1	114.8	P330 A438	P330-R332 PolarHBondContact O-N 2.83Å; R332-A438 HydrophobicContact CG-CB 4.29Å
333	I	95.3	Very high	95.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-113.8	11.4	-178.1	70.7	172	0	0	0	112.7	S54 K57 L58 L61 L193 L304 P330 V331	S54-I333 WeakPolarHBondContact CA-O 3.39Å; S54-I333 WeakPolarHBondContact CB-O 3.2Å; S54-I333 PolarHBondContact OG-O 3.15Å; K57-I333 HydrophobicContact CB-CB 4.1Å; K57-I333 HydrophobicContact CB-CG2 4.01Å; L58-I333 HydrophobicContact CB-CD1 4.31Å; L58-I333 HydrophobicContact CB-CG2 4.3Å; L58-I333 HydrophobicContact CD1-CD1 4.41Å; L61-I333 HydrophobicContact CD1-CG2 3.51Å; L61-I333 HydrophobicContact CG-CG2 4.47Å; L193-I333 HydrophobicContact CD2-CD1 3.98Å; L193-I333 HydrophobicContact CD2-CG2 4.39Å; L304-I333 HydrophobicContact CD1-CD1 3.78Å; P330-I333 HydrophobicContact CB-CD1 4.35Å; P330-I333 HydrophobicContact CB-CG1 3.95Å; P330-I333 HydrophobicContact CG-CD1 3.8Å; P330-I333 HydrophobicContact CG-CG1 3.87Å; P330-I333 CarbonylContact O-C 3.6Å; P330-I333 WeakPolarHBondContact O-CG1 3.43Å; P330-I333 PolarHBondContact O-N 3.38Å; V331-I333 VanDerWaalsContact C-N 3.3Å; V331-I333 PolarHBondContact O-N 3.04Å
334	A	96.2	Very high	95.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-57.1	146.9	169.7	0	0	0	0	0	110.4	K57 W329 P330 V331 Y336 P399	K57-A334 WeakPolarHBondContact CD-O 3.3Å; K57-A334 WeakPolarHBondContact CE-O 3.44Å; K57-A334 PolarHBondContact NZ-O 3.27Å; W329-A334 HydrophobicContact CB-CB 4.04Å; W329-A334 HydrophobicContact CG-CB 4.27Å; P330-A334 PolarHBondContact O-N 2.81Å; V331-A334 PolarHBondContact O-N 2.92Å; A334-Y336 PolarHBondContact O-N 2.98Å; A334-P399 HydrophobicContact CB-CG 3.67Å
335	P	94.6	Very high	95.7	Very high	1 Å²	1	20 Å²	20	1%	0.006	9%	0.093	C	C	.	.	S	Bend	trans	-58.9	-35.4	-172.8	21.5	-33.6	0	0	0	113.3	E50 R53 W329	E50-P335 HydrophobicContact CB-CB 3.72Å; E50-P335 HydrophobicContact CB-CG 4.24Å; E50-P335 HydrophobicContact CG-CB 4.11Å; E50-P335 HydrophobicContact CG-CG 4.47Å; R53-P335 PolarHBondContact NE-O 2.49Å; W329-P335 HydrophobicContact CZ2-CG 4.31Å
336	Y	94.5	Very high	95.5	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.016	12%	0.116	C	C	.	.			trans	-132.5	144.6	173.9	-57.4	-75	0	0	0	108.6	T5 E50 A334 G338 G374 D375 L377 I398 P399	T5-Y336 HydrophobicContact CG2-CE1 4.18Å; E50-Y336 HydrophobicContact CG-CE2 4.03Å; E50-Y336 PolarHBondContact OE1-OH 2.78Å; A334-Y336 PolarHBondContact O-N 2.98Å; Y336-G338 VanDerWaalsContact C-N 3.3Å; Y336-G374 WeakPolarHBondContact CD1-O 3.2Å; Y336-G374 WeakPolarHBondContact CE1-O 3.47Å; Y336-D375 VanDerWaalsContact CA-O 3.32Å; Y336-D375 WeakPolarHBondContact CA-O 3.29Å; Y336-D375 WeakPolarHBondContact CB-O 3.4Å; Y336-L377 HydrophobicContact CD1-CB 3.98Å; Y336-L377 HydrophobicContact CD2-CB 3.93Å; Y336-L377 HydrophobicContact CD2-CD2 4.02Å; Y336-L377 HydrophobicContact CD2-CG 4.4Å; Y336-L377 HydrophobicContact CE1-CB 4.34Å; Y336-L377 HydrophobicContact CE1-CD1 4.32Å; Y336-L377 HydrophobicContact CE2-CB 4.27Å; Y336-L377 HydrophobicContact CE2-CD1 4.04Å; Y336-L377 HydrophobicContact CE2-CD2 4.03Å; Y336-L377 HydrophobicContact CE2-CG 4.36Å; Y336-L377 HydrophobicContact CG-CB 3.78Å; Y336-I398 HydrophobicContact CD2-CD1 3.93Å; Y336-I398 HydrophobicContact CD2-CG1 4.41Å; Y336-P399 WeakPolarHBondContact O-CD 3.26Å
337	S	93.7	Very high	95.4	Very high	4 Å²	4	24.9 Å²	24.9	3%	0.028	12%	0.118	C	C	.	.	S	Bend	trans	-72.7	-29.1	175.9	64.8	0	0	0	0	112.1	D375 F434	S337-D375 PolarHBondContact N-O 2.93Å; S337-F434 WeakPolarHBondContact CB-O 3.44Å; S337-F434 PolarHBondContact OG-O 3.23Å
338	G	95.2	Very high	95.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	162.1	176.2	0	0	0	0	0	113.2	Y336 L377 W400	Y336-G338 VanDerWaalsContact C-N 3.3Å; G338-L377 PolarHBondContact O-N 3.41Å; G338-W400 CarbonylContact C-O 3.49Å; G338-W400 WeakPolarHBondContact CA-O 3.38Å
339	A	96.1	Very high	94.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.3	174.3	0	0	0	0	0	111.1	L377 Q393 I398 W400 I401 L402	A339-L377 CarbonylContact C-O 3.53Å; A339-L377 VanDerWaalsContact CA-O 3.23Å; A339-L377 WeakPolarHBondContact CA-O 3.46Å; A339-L377 HydrophobicContact CB-CB 4.33Å; A339-Q393 HydrophobicContact CB-CB 4.18Å; A339-Q393 HydrophobicContact CB-CG 3.87Å; A339-I398 HydrophobicContact CB-CD1 3.86Å; A339-I398 HydrophobicContact CB-CG2 3.96Å; A339-W400 PolarHBondContact N-O 3.18Å; A339-I401 HydrophobicContact CB-CG1 4.46Å; A339-I401 CarbonylContact O-C 3.49Å; A339-I401 WeakPolarHBondContact O-CA 3.21Å; A339-L402 PolarHBondContact O-N 2.84Å
340	I	97	Very high	94.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	113.6	170.5	-59.8	175.5	0	0	0	106.9	F4 L342 L360 I363 I376 L377 V378 D379 L402 V404 F434	F4-I340 HydrophobicContact CE1-CD1 4.21Å; I340-L342 HydrophobicContact CG2-CD2 3.89Å; I340-L360 HydrophobicContact CD1-CD2 3.6Å; I340-I363 HydrophobicContact CD1-CD1 3.58Å; I340-I363 HydrophobicContact CD1-CG2 4.23Å; I340-I363 HydrophobicContact CG1-CD1 4.19Å; I340-I376 HydrophobicContact CD1-CG2 3.85Å; I340-I376 HydrophobicContact CG1-CG2 3.95Å; I340-L377 PolarHBondContact N-O 3.05Å; I340-V378 HydrophobicContact CB-CG2 4.35Å; I340-V378 HydrophobicContact CD1-CG2 4.32Å; I340-V378 CarbonylContact O-C 3.55Å; I340-V378 WeakPolarHBondContact O-CA 3.31Å; I340-D379 PolarHBondContact O-N 2.9Å; I340-L402 WeakPolarHBondContact CA-O 3.41Å; I340-V404 HydrophobicContact CG2-CB 4.21Å; I340-V404 HydrophobicContact CG2-CG2 3.51Å; I340-F434 HydrophobicContact CD1-CE2 4.37Å; I340-F434 HydrophobicContact CG1-CE2 3.81Å; I340-F434 HydrophobicContact CG1-CZ 4.32Å
341	V	97.3	Very high	94.6	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	115.8	178.4	-65.4	0	0	0	0	109.9	D379 L386 K389 I390 Q393 I401 L402 T403 V404	V341-D379 HydrophobicContact CG1-CB 3.99Å; V341-L386 HydrophobicContact CB-CD1 4.27Å; V341-L386 HydrophobicContact CG2-CD1 3.87Å; V341-K389 HydrophobicContact CB-CB 4.02Å; V341-K389 HydrophobicContact CG1-CB 3.95Å; V341-I390 HydrophobicContact CG2-CG1 3.87Å; V341-Q393 HydrophobicContact CG1-CG 3.68Å; V341-I401 HydrophobicContact CB-CG2 4.32Å; V341-I401 HydrophobicContact CG1-CG2 3.75Å; V341-I401 HydrophobicContact CG2-CG2 3.56Å; V341-L402 WeakPolarHBondContact CG2-O 3.27Å; V341-L402 PolarHBondContact N-O 2.96Å; V341-T403 HydrophobicContact CG2-CG2 3.77Å; V341-V404 PolarHBondContact O-N 3.4Å
342	L	96.6	Very high	94.4	Very high	18 Å²	18	42.3 Å²	42.3	9%	0.094	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	135.8	-178.1	-54.4	-173.5	0	0	0	110.5	I340 L356 V378 D379 D380 K389 V404	I340-L342 HydrophobicContact CG2-CD2 3.89Å; L342-L356 HydrophobicContact CD1-CD1 4.2Å; L342-L356 HydrophobicContact CD1-CD2 3.96Å; L342-L356 HydrophobicContact CD2-CD1 3.61Å; L342-V378 HydrophobicContact CD1-CG1 4.19Å; L342-V378 HydrophobicContact CD2-CG1 4.47Å; L342-V378 HydrophobicContact CG-CG1 4.25Å; L342-D379 PolarHBondContact N-O 3.31Å; L342-D380 HydrophobicContact CD1-CB 3.99Å; L342-K389 VanDerWaalsContact O-CD 3.31Å; L342-K389 WeakPolarHBondContact O-CD 3.49Å; L342-K389 WeakPolarHBondContact O-CE 3.22Å; L342-K389 PolarHBondContact O-NZ 3.15Å; L342-V404 HydrophobicContact CD2-CB 3.92Å; L342-V404 HydrophobicContact CD2-CG1 3.92Å
343	Q	96.2	Very high	94.5	Very high	28 Å²	28	42.1 Å²	42.1	13%	0.131	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-53	147.6	168.3	179.3	60.4	-67.8	0	0	111.2	E345 A347 D349 V404 K405	Q343-E345 PolarHBondContact O-N 2.88Å; Q343-A347 HydrophobicContact CG-CB 3.61Å; Q343-D349 WeakPolarHBondContact CG-OD1 3.22Å; Q343-D349 PolarHBondContact NE2-OD1 3Å; Q343-D349 PolarHBondContact NE2-OD2 3.24Å; Q343-V404 WeakPolarHBondContact CB-O 3.42Å; Q343-V404 PolarHBondContact N-O 3.48Å; Q343-K405 HydrophobicContact CB-CG 3.82Å; Q343-K405 HydrophobicContact CG-CG 4.15Å
344	K	94.7	Very high	94.4	Very high	74 Å²	74	48.1 Å²	48.1	32%	0.322	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-55.8	133.9	176.6	-176.2	169.9	176.5	157.9	0	109.9	M346 A347 S350 G383	K344-M346 PolarHBondContact O-N 2.96Å; K344-M346 VanDerWaalsContact O-N 3.12Å; K344-A347 VanDerWaalsContact O-CB 3.24Å; K344-A347 WeakPolarHBondContact O-CB 3.43Å; K344-A347 PolarHBondContact O-N 3.08Å; K344-S350 WeakPolarHBondContact O-CB 3.42Å; K344-G383 WeakPolarHBondContact CE-O 3.41Å; K344-G383 PolarHBondContact NZ-O 3.39Å
345	E	91.9	Very high	94.3	Very high	61 Å²	61	51.2 Å²	51.2	29%	0.285	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.8	-173.2	64.8	-68.3	152.8	0	0	114.1	Q343 A347 S350 M382 G383	Q343-E345 PolarHBondContact O-N 2.88Å; E345-A347 VanDerWaalsContact C-N 3.34Å; E345-S350 WeakPolarHBondContact O-CB 3.28Å; E345-S350 PolarHBondContact O-OG 2.68Å; E345-M382 HydrophobicContact CB-CE 3.54Å; E345-M382 HydrophobicContact CB-SD 4.42Å; E345-M382 HydrophobicContact CG-CE 3.48Å; E345-M382 VanDerWaalsContact CG-CE 3.48Å; E345-G383 WeakPolarHBondContact OE1-CA 3.27Å; E345-G383 PolarHBondContact OE1-N 2.88Å; E345-G383 PolarHBondContact OE2-N 3.13Å
346	M	91.6	Very high	94.2	Very high	158 Å²	158	52.9 Å²	52.9	78%	0.778	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-3	-179	-59.6	-56.1	-67.8	0	0	114.1	K344	K344-M346 PolarHBondContact O-N 2.96Å; K344-M346 VanDerWaalsContact O-N 3.12Å
347	A	93.6	Very high	94.1	Very high	26 Å²	26	58.8 Å²	58.8	22%	0.215	30%	0.3	C	S	.	.	S	Bend	trans	-73.4	149.7	178.3	0	0	0	0	0	110.7	Q343 K344 E345 D349 S350	Q343-A347 HydrophobicContact CG-CB 3.61Å; K344-A347 VanDerWaalsContact O-CB 3.24Å; K344-A347 WeakPolarHBondContact O-CB 3.43Å; K344-A347 PolarHBondContact O-N 3.08Å; E345-A347 VanDerWaalsContact C-N 3.34Å; A347-D349 WeakPolarHBondContact CB-OD1 3.37Å; A347-D349 PolarHBondContact O-N 2.95Å; A347-S350 WeakPolarHBondContact O-CB 3.34Å; A347-S350 PolarHBondContact O-N 3.02Å; A347-S350 VanDerWaalsContact O-N 3.15Å; A347-S350 PolarHBondContact O-OG 2.87Å; A347-S350 VanDerWaalsContact O-OG 3.11Å
348	K	92.1	Very high	94.1	Very high	221 Å²	221	65.5 Å²	65.5	96%	0.961	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.9	179.9	-66.3	-176.9	179.5	179.8	0	113.3
349	D	93.1	Very high	94	Very high	49 Å²	49	65.6 Å²	65.6	26%	0.262	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	23.2	179.7	64	-20.9	0	0	0	111.8	Q343 A347 K405 S406	Q343-D349 WeakPolarHBondContact CG-OD1 3.22Å; Q343-D349 PolarHBondContact NE2-OD1 3Å; Q343-D349 PolarHBondContact NE2-OD2 3.24Å; A347-D349 WeakPolarHBondContact CB-OD1 3.37Å; A347-D349 PolarHBondContact O-N 2.95Å; D349-K405 HydrophobicContact CB-CB 4.44Å; D349-K405 CarbonylContact O-C 3.48Å; D349-K405 VanDerWaalsContact O-CA 3.31Å; D349-K405 WeakPolarHBondContact O-CA 3.29Å; D349-K405 WeakPolarHBondContact O-CB 3.39Å; D349-K405 VanDerWaalsContact OD2-CD 3.24Å; D349-K405 WeakPolarHBondContact OD2-CD 3.36Å; D349-K405 WeakPolarHBondContact OD2-CE 3.47Å; D349-K405 IonicContact OD2-NZ 2.99Å; D349-K405 PolarHBondContact OD2-NZ 2.8Å; D349-S406 PolarHBondContact O-N 3.28Å
350	S	94.4	Very high	93.8	Very high	38 Å²	38	66.4 Å²	66.4	27%	0.266	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-68.8	143.4	172.1	66.9	0	0	0	0	110.8	K344 E345 A347 S406	K344-S350 WeakPolarHBondContact O-CB 3.42Å; E345-S350 WeakPolarHBondContact O-CB 3.28Å; E345-S350 PolarHBondContact O-OG 2.68Å; A347-S350 WeakPolarHBondContact O-CB 3.34Å; A347-S350 PolarHBondContact O-N 3.02Å; A347-S350 VanDerWaalsContact O-N 3.15Å; A347-S350 PolarHBondContact O-OG 2.87Å; A347-S350 VanDerWaalsContact O-OG 3.11Å; S350-S406 WeakPolarHBondContact O-CB 3.44Å
351	V	93.9	Very high	93.5	Very high	26 Å²	26	70.6 Å²	70.6	16%	0.158	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-76.7	139.9	176.8	-70.4	0	0	0	0	110.6	E355 L356 I359 V404	V351-E355 WeakPolarHBondContact CA-OE2 3.24Å; V351-E355 HydrophobicContact CB-CB 4.26Å; V351-L356 HydrophobicContact CG2-CB 4.19Å; V351-I359 HydrophobicContact CG1-CD1 4.27Å; V351-V404 HydrophobicContact CB-CG1 4.32Å; V351-V404 HydrophobicContact CG1-CG1 3.53Å; V351-V404 HydrophobicContact CG2-CG1 3.87Å
352	N	93.3	Very high	93.2	Very high	69 Å²	69	71.6 Å²	71.6	37%	0.369	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-80.3	167.1	170.5	70.5	56.3	0	0	0	111.1	D354 E355 L356	N352-D354 VanDerWaalsContact C-N 3.3Å; N352-D354 PolarHBondContact O-N 2.85Å; N352-D354 PolarHBondContact OD1-N 2.58Å; N352-E355 PolarHBondContact N-OE2 2.71Å; N352-E355 WeakPolarHBondContact ND2-CG 3.35Å; N352-E355 PolarHBondContact ND2-OE1 3.27Å; N352-E355 PolarHBondContact ND2-OE2 3.5Å; N352-E355 PolarHBondContact O-N 3.3Å; N352-E355 PolarHBondContact OD1-N 2.93Å; N352-L356 WeakPolarHBondContact O-CB 3.5Å; N352-L356 PolarHBondContact O-N 2.75Å
353	P	92.4	Very high	92.9	Very high	107 Å²	107	70.8 Å²	70.8	70%	0.695	35%	0.354	S	S	*	.	H	α-helix	trans	-59	-34.6	-177.5	-27.8	36.8	0	0	0	115	K357	P353-K357 WeakPolarHBondContact O-CB 3.3Å; P353-K357 PolarHBondContact O-N 2.91Å
354	D	94	Very high	92.3	Very high	127 Å²	127	72.1 Å²	72.1	68%	0.679	36%	0.36	S	S	*	.	H	α-helix	trans	-74.1	-41.3	-179.3	-66.6	-39.3	0	0	0	111.3	N352 K357 Y358	N352-D354 VanDerWaalsContact C-N 3.3Å; N352-D354 PolarHBondContact O-N 2.85Å; N352-D354 PolarHBondContact OD1-N 2.58Å; D354-K357 PolarHBondContact O-N 3.42Å; D354-Y358 WeakPolarHBondContact O-CB 3.46Å; D354-Y358 PolarHBondContact O-N 2.89Å
355	E	93.5	Very high	91	Very high	64 Å²	64	69.6 Å²	69.6	30%	0.299	35%	0.352	S	S	.	.	H	α-helix	trans	-60.6	-46.6	171.3	-75.1	171.4	-177.1	0	0	111.4	V351 N352 K357 Y358 I359	V351-E355 WeakPolarHBondContact CA-OE2 3.24Å; V351-E355 HydrophobicContact CB-CB 4.26Å; N352-E355 PolarHBondContact N-OE2 2.71Å; N352-E355 WeakPolarHBondContact ND2-CG 3.35Å; N352-E355 PolarHBondContact ND2-OE1 3.27Å; N352-E355 PolarHBondContact ND2-OE2 3.5Å; N352-E355 PolarHBondContact O-N 3.3Å; N352-E355 PolarHBondContact OD1-N 2.93Å; E355-K357 VanDerWaalsContact C-N 3.32Å; E355-K357 PolarHBondContact O-N 2.92Å; E355-Y358 PolarHBondContact O-N 3.27Å; E355-I359 WeakPolarHBondContact O-CB 3.38Å; E355-I359 VanDerWaalsContact O-CG1 3.24Å; E355-I359 WeakPolarHBondContact O-CG1 3.48Å; E355-I359 PolarHBondContact O-N 3.41Å
356	L	93.4	Very high	89.5	Confident	36 Å²	36	73.7 Å²	73.7	19%	0.188	38%	0.376	C	S	.	.	H	α-helix	trans	-60.1	-45.1	177.5	177.4	58.9	0	0	0	110.9	L342 V351 N352 I359 L360	L342-L356 HydrophobicContact CD1-CD1 4.2Å; L342-L356 HydrophobicContact CD1-CD2 3.96Å; L342-L356 HydrophobicContact CD2-CD1 3.61Å; V351-L356 HydrophobicContact CG2-CB 4.19Å; N352-L356 WeakPolarHBondContact O-CB 3.5Å; N352-L356 PolarHBondContact O-N 2.75Å; L356-I359 PolarHBondContact O-N 3.49Å; L356-L360 HydrophobicContact CD1-CD1 4.09Å; L356-L360 HydrophobicContact CD1-CD2 4.47Å; L356-L360 HydrophobicContact CD1-CG 4.02Å; L356-L360 HydrophobicContact CG-CD1 4.07Å; L356-L360 HydrophobicContact CG-CG 4.39Å; L356-L360 VanDerWaalsContact O-CG 3.29Å; L356-L360 WeakPolarHBondContact O-CG 3.11Å; L356-L360 PolarHBondContact O-N 3.48Å
357	K	92.9	Very high	87.6	Confident	129 Å²	129	69.6 Å²	69.6	56%	0.561	36%	0.363	S	S	*	.	H	α-helix	trans	-59.1	-48.9	176.4	-177.6	-177.4	175.4	-170.6	0	111.3	P353 D354 E355 I359 L360 D361	P353-K357 WeakPolarHBondContact O-CB 3.3Å; P353-K357 PolarHBondContact O-N 2.91Å; D354-K357 PolarHBondContact O-N 3.42Å; E355-K357 VanDerWaalsContact C-N 3.32Å; E355-K357 PolarHBondContact O-N 2.92Å; K357-I359 VanDerWaalsContact C-N 3.3Å; K357-I359 PolarHBondContact O-N 3.47Å; K357-L360 PolarHBondContact O-N 2.93Å; K357-D361 WeakPolarHBondContact O-CB 3.03Å; K357-D361 VanDerWaalsContact O-CG 3.24Å; K357-D361 PolarHBondContact O-N 3.48Å
358	Y	92.9	Very high	85.4	Confident	145 Å²	145	75.7 Å²	75.7	57%	0.569	39%	0.39	S	S	*	.	H	α-helix	trans	-56.4	-43.9	176.5	169.1	-100.7	0	0	0	112.3	D354 E355 D361 T362 L427	D354-Y358 WeakPolarHBondContact O-CB 3.46Å; D354-Y358 PolarHBondContact O-N 2.89Å; E355-Y358 PolarHBondContact O-N 3.27Å; Y358-D361 PolarHBondContact O-N 2.96Å; Y358-T362 WeakPolarHBondContact O-CB 3.47Å; Y358-T362 PolarHBondContact O-N 2.91Å; Y358-T362 PolarHBondContact O-OG1 3.33Å; Y358-L427 HydrophobicContact CD1-CD1 4.4Å; Y358-L427 HydrophobicContact CE1-CD1 3.88Å
359	I	93.2	Very high	83.4	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.01	37%	0.374	C	S	.	.	H	α-helix	trans	-63.4	-47.9	178.4	-70.3	167.8	0	0	0	111	V351 E355 L356 K357 T362 I363 V404 Y412 L427	V351-I359 HydrophobicContact CG1-CD1 4.27Å; E355-I359 WeakPolarHBondContact O-CB 3.38Å; E355-I359 VanDerWaalsContact O-CG1 3.24Å; E355-I359 WeakPolarHBondContact O-CG1 3.48Å; E355-I359 PolarHBondContact O-N 3.41Å; L356-I359 PolarHBondContact O-N 3.49Å; K357-I359 VanDerWaalsContact C-N 3.3Å; K357-I359 PolarHBondContact O-N 3.47Å; I359-T362 PolarHBondContact O-N 3.35Å; I359-I363 HydrophobicContact CG2-CD1 3.57Å; I359-I363 HydrophobicContact CG2-CG1 4.43Å; I359-I363 WeakPolarHBondContact O-CB 3.4Å; I359-I363 VanDerWaalsContact O-CG1 3.3Å; I359-I363 WeakPolarHBondContact O-CG1 3.5Å; I359-I363 PolarHBondContact O-N 3.29Å; I359-V404 HydrophobicContact CD1-CG1 3.59Å; I359-V404 HydrophobicContact CG2-CG2 4.07Å; I359-Y412 HydrophobicContact CD1-CE1 3.94Å; I359-L427 HydrophobicContact CB-CD1 4.45Å; I359-L427 HydrophobicContact CG1-CD1 3.99Å; I359-L427 HydrophobicContact CG1-CD2 4.36Å; I359-L427 HydrophobicContact CG2-CD2 3.93Å
360	L	92.8	Very high	81.5	Confident	17 Å²	17	72 Å²	72	9%	0.089	38%	0.378	C	S	.	.	H	α-helix	trans	-63.4	-43.5	179	-67.6	178.9	0	0	0	111.5	F4 F6 I340 L356 K357 T362 I363 Q364 V378	F4-L360 HydrophobicContact CD1-CD2 4.23Å; F4-L360 HydrophobicContact CD2-CD2 4.5Å; F4-L360 HydrophobicContact CE1-CD2 3.95Å; F4-L360 HydrophobicContact CE2-CB 3.93Å; F4-L360 HydrophobicContact CE2-CD2 4.24Å; F4-L360 HydrophobicContact CG-CD2 4.5Å; F4-L360 HydrophobicContact CZ-CB 4.04Å; F4-L360 HydrophobicContact CZ-CD2 3.97Å; F4-L360 WeakPolarHBondContact CZ-O 3.29Å; F6-L360 HydrophobicContact CE1-CD1 4.46Å; F6-L360 HydrophobicContact CZ-CD1 4.18Å; I340-L360 HydrophobicContact CD1-CD2 3.6Å; L356-L360 HydrophobicContact CD1-CD1 4.09Å; L356-L360 HydrophobicContact CD1-CD2 4.47Å; L356-L360 HydrophobicContact CD1-CG 4.02Å; L356-L360 HydrophobicContact CG-CD1 4.07Å; L356-L360 HydrophobicContact CG-CG 4.39Å; L356-L360 VanDerWaalsContact O-CG 3.29Å; L356-L360 WeakPolarHBondContact O-CG 3.11Å; L356-L360 PolarHBondContact O-N 3.48Å; K357-L360 PolarHBondContact O-N 2.93Å; L360-T362 VanDerWaalsContact C-N 3.29Å; L360-T362 PolarHBondContact O-N 3.05Å; L360-I363 PolarHBondContact O-N 3.29Å; L360-Q364 VanDerWaalsContact O-CB 3.32Å; L360-Q364 WeakPolarHBondContact O-CB 3.36Å; L360-Q364 PolarHBondContact O-N 2.92Å; L360-V378 HydrophobicContact CD2-CG2 3.97Å
361	D	91	Very high	79.8	Confident	87 Å²	87	73.2 Å²	73.2	47%	0.465	38%	0.378	S	S	.	.	H	α-helix	trans	-63.4	-35.4	176.9	-70.9	-15.1	0	0	0	111.5	K357 Y358	K357-D361 WeakPolarHBondContact O-CB 3.03Å; K357-D361 VanDerWaalsContact O-CG 3.24Å; K357-D361 PolarHBondContact O-N 3.48Å; Y358-D361 PolarHBondContact O-N 2.96Å
362	T	90.6	Very high	78.4	Confident	22 Å²	22	73.1 Å²	73.1	14%	0.135	38%	0.376	C	S	.	.	H	α-helix	trans	-72.6	-44.8	177.5	-56.5	0	0	0	0	112.1	Y358 I359 L360 Q364 L427 R431	Y358-T362 WeakPolarHBondContact O-CB 3.47Å; Y358-T362 PolarHBondContact O-N 2.91Å; Y358-T362 PolarHBondContact O-OG1 3.33Å; I359-T362 PolarHBondContact O-N 3.35Å; L360-T362 VanDerWaalsContact C-N 3.29Å; L360-T362 PolarHBondContact O-N 3.05Å; T362-Q364 VanDerWaalsContact C-N 3.27Å; T362-Q364 PolarHBondContact O-N 2.85Å; T362-L427 HydrophobicContact CG2-CB 3.66Å; T362-L427 HydrophobicContact CG2-CD1 3.97Å; T362-L427 HydrophobicContact CG2-CG 4.48Å; T362-R431 VanDerWaalsContact O-CD 3.28Å; T362-R431 WeakPolarHBondContact O-CD 3.48Å; T362-R431 PolarHBondContact O-NH1 3.44Å
363	I	89.9	Confident	77.2	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-70.1	-28.7	-179.6	-69.4	168.1	0	0	0	111.4	I340 I359 L360 S365 I376 L402 L427 R431 F434	I340-I363 HydrophobicContact CD1-CD1 3.58Å; I340-I363 HydrophobicContact CD1-CG2 4.23Å; I340-I363 HydrophobicContact CG1-CD1 4.19Å; I359-I363 HydrophobicContact CG2-CD1 3.57Å; I359-I363 HydrophobicContact CG2-CG1 4.43Å; I359-I363 WeakPolarHBondContact O-CB 3.4Å; I359-I363 VanDerWaalsContact O-CG1 3.3Å; I359-I363 WeakPolarHBondContact O-CG1 3.5Å; I359-I363 PolarHBondContact O-N 3.29Å; L360-I363 PolarHBondContact O-N 3.29Å; I363-S365 PolarHBondContact O-N 3.25Å; I363-I376 HydrophobicContact CG2-CD1 3.85Å; I363-L402 HydrophobicContact CD1-CD2 3.27Å; I363-L402 HydrophobicContact CG1-CD2 4.31Å; I363-L427 HydrophobicContact CD1-CD2 4.24Å; I363-L427 HydrophobicContact CG1-CD2 4.34Å; I363-R431 WeakPolarHBondContact O-CG 3.12Å; I363-F434 HydrophobicContact CG2-CD2 3.65Å; I363-F434 HydrophobicContact CG2-CE2 3.96Å
364	Q	83.3	Confident	76.4	Confident	56 Å²	56	69.3 Å²	69.3	26%	0.262	36%	0.356	S	S	.	.			trans	-52.2	139.3	174.1	-180	178.9	-27.4	0	0	110.5	S2 F4 L360 T362 R431	S2-Q364 VanDerWaalsContact OG-CD 3.31Å; S2-Q364 PolarHBondContact OG-OE1 2.89Å; F4-Q364 HydrophobicContact CZ-CB 4.34Å; L360-Q364 VanDerWaalsContact O-CB 3.32Å; L360-Q364 WeakPolarHBondContact O-CB 3.36Å; L360-Q364 PolarHBondContact O-N 2.92Å; T362-Q364 VanDerWaalsContact C-N 3.27Å; T362-Q364 PolarHBondContact O-N 2.85Å; Q364-R431 WeakPolarHBondContact O-CD 3.32Å
365	S	67	Low	76.2	Confident	22 Å²	22	64 Å²	64	15%	0.154	33%	0.327	C	S	.	.			trans	-142	134.6	176.3	162.7	0	0	0	0	110.1	I363 S367 K371 N435	I363-S365 PolarHBondContact O-N 3.25Å; S365-S367 PolarHBondContact O-N 3.44Å; S365-S367 WeakPolarHBondContact OG-CB 3.34Å; S365-S367 PolarHBondContact OG-N 3.37Å; S365-S367 VanDerWaalsContact OG-N 3.13Å; S365-S367 PolarHBondContact OG-OG 2.95Å; S365-K371 PolarHBondContact O-NZ 2.92Å; S365-N435 WeakPolarHBondContact CB-ND2 3.16Å; S365-N435 VanDerWaalsContact CB-OD1 3.23Å; S365-N435 WeakPolarHBondContact CB-OD1 3.47Å; S365-N435 PolarHBondContact OG-ND2 3.36Å; S365-N435 PolarHBondContact OG-OD1 3.17Å
366	D	61.4	Low	76.1	Confident	146 Å²	146	61.5 Å²	61.5	78%	0.781	32%	0.316	S	S	*	.			trans	-77.1	1.9	176.1	-58.7	-33.3	0	0	0	113.3
367	S	51.5	Low	76.1	Confident	72 Å²	72	59.8 Å²	59.8	50%	0.503	31%	0.307	S	S	.	.			trans	-78.9	136.7	-172.7	-55	0	0	0	0	113.2	S365 K371	S365-S367 PolarHBondContact O-N 3.44Å; S365-S367 WeakPolarHBondContact OG-CB 3.34Å; S365-S367 PolarHBondContact OG-N 3.37Å; S365-S367 VanDerWaalsContact OG-N 3.13Å; S365-S367 PolarHBondContact OG-OG 2.95Å; S367-K371 WeakPolarHBondContact O-CD 3.36Å; S367-K371 WeakPolarHBondContact O-CE 3.29Å
368	I	47.3	Very low	76.2	Confident	154 Å²	154	53.7 Å²	53.7	79%	0.79	28%	0.28	S	S	*	.			trans	-89.6	-3.9	-152.7	-67.4	163.4	0	0	0	115.3	F370	I368-F370 PolarHBondContact O-N 2.92Å
369	N	48.8	Very low	76.3	Confident	114 Å²	114	46.8 Å²	46.8	61%	0.61	25%	0.253	S	S	*	.	S	Bend	trans	-72.2	102.5	-170.4	-78.9	-14.9	0	0	0	112.9	K371	N369-K371 VanDerWaalsContact C-N 3.25Å; N369-K371 PolarHBondContact O-N 3.28Å; N369-K371 VanDerWaalsContact O-N 3.16Å
370	F	55.2	Low	76.4	Confident	79 Å²	79	48 Å²	48	35%	0.346	26%	0.26	S	S	.	.	S	Bend	trans	66.6	-2.2	174.1	-54.2	-79.1	0	0	0	117.9	L61 I368 L372	L61-F370 HydrophobicContact CD2-CE1 3.68Å; L61-F370 HydrophobicContact CD2-CZ 3.7Å; I368-F370 PolarHBondContact O-N 2.92Å; F370-L372 PolarHBondContact O-N 3.45Å
371	K	56.8	Low	76.4	Confident	64 Å²	64	48.8 Å²	48.8	28%	0.278	26%	0.262	S	S	.	.			trans	-63.5	96.9	-167.1	-67.2	-169.4	-175.9	177.9	0	112.4	S365 S367 N369 D375 N435	S365-K371 PolarHBondContact O-NZ 2.92Å; S367-K371 WeakPolarHBondContact O-CD 3.36Å; S367-K371 WeakPolarHBondContact O-CE 3.29Å; N369-K371 VanDerWaalsContact C-N 3.25Å; N369-K371 PolarHBondContact O-N 3.28Å; N369-K371 VanDerWaalsContact O-N 3.16Å; K371-D375 HydrophobicContact CG-CB 4.5Å; K371-N435 WeakPolarHBondContact CE-OD1 3.31Å; K371-N435 PolarHBondContact NZ-OD1 3.24Å
372	L	65.1	Low	76.5	Confident	23 Å²	23	51.2 Å²	51.2	12%	0.12	27%	0.272	C	S	.	.			trans	-49.6	134.2	148.8	-69.7	173	0	0	0	106.9	R53 R56 K57 F370 G374 D375	R53-L372 HydrophobicContact CB-CD1 3.87Å; R53-L372 HydrophobicContact CG-CD1 3.92Å; R53-L372 PolarHBondContact NH2-O 3.4Å; R56-L372 HydrophobicContact CB-CD1 4.22Å; R56-L372 HydrophobicContact CB-CD2 4.42Å; R56-L372 VanDerWaalsContact CZ-CD2 3.45Å; K57-L372 HydrophobicContact CG-CD1 4.37Å; F370-L372 PolarHBondContact O-N 3.45Å; L372-G374 PolarHBondContact O-N 3.1Å; L372-D375 PolarHBondContact O-N 2.93Å
373	P	68.4	Low	76.6	Confident	94 Å²	94	52 Å²	52	61%	0.61	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47	138.8	169.4	-25.3	33	0	0	0	109.9	V3 R53	V3-P373 HydrophobicContact CB-CB 3.9Å; V3-P373 HydrophobicContact CG1-CB 4.16Å; V3-P373 HydrophobicContact CG2-CB 4.04Å; R53-P373 PolarHBondContact NH1-O 2.95Å
374	G	76.1	Confident	76.7	Confident	2 Å²	2	54.6 Å²	54.6	2%	0.021	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	19.7	-179.2	0	0	0	0	0	115.9	V3 T5 R53 Y336 L372 I376	V3-G374 WeakPolarHBondContact O-CA 3.49Å; V3-G374 PolarHBondContact O-N 3.36Å; T5-G374 WeakPolarHBondContact OG1-CA 3.35Å; T5-G374 PolarHBondContact OG1-O 3.06Å; R53-G374 PolarHBondContact NH2-O 3Å; Y336-G374 WeakPolarHBondContact CD1-O 3.2Å; Y336-G374 WeakPolarHBondContact CE1-O 3.47Å; L372-G374 PolarHBondContact O-N 3.1Å; G374-I376 PolarHBondContact O-N 2.91Å
375	D	88.5	Confident	77.3	Confident	15 Å²	15	55 Å²	55	8%	0.08	31%	0.307	C	S	.	.			trans	-70.9	-11	-174.1	-146.9	49.2	0	0	0	116.3	R53 K57 Y336 S337 K371 L372	R53-D375 IonicContact CZ-OD1 2.61Å; R53-D375 IonicContact NH2-OD1 3.8Å; R53-D375 PolarHBondContact NH2-OD1 2.89Å; K57-D375 WeakPolarHBondContact CE-OD1 2.97Å; K57-D375 VanDerWaalsContact NZ-CG 3.28Å; K57-D375 IonicContact NZ-OD1 2.58Å; K57-D375 PolarHBondContact NZ-OD1 2.82Å; K57-D375 IonicContact NZ-OD2 3.71Å; K57-D375 PolarHBondContact NZ-OD2 3.37Å; K57-D375 VanDerWaalsContact NZ-OD2 3.08Å; Y336-D375 VanDerWaalsContact CA-O 3.32Å; Y336-D375 WeakPolarHBondContact CA-O 3.29Å; Y336-D375 WeakPolarHBondContact CB-O 3.4Å; S337-D375 PolarHBondContact N-O 2.93Å; K371-D375 HydrophobicContact CG-CB 4.5Å; L372-D375 PolarHBondContact O-N 2.93Å
376	I	92.4	Very high	78.6	Confident	13 Å²	13	54.8 Å²	54.8	7%	0.067	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.3	169.6	-59.9	164.3	0	0	0	107.7	F4 T5 I340 I363 G374 F434	F4-I376 HydrophobicContact CD1-CB 3.79Å; F4-I376 HydrophobicContact CD1-CG2 3.82Å; F4-I376 HydrophobicContact CE1-CB 3.94Å; F4-I376 HydrophobicContact CE1-CD1 4.03Å; F4-I376 HydrophobicContact CE1-CG2 3.85Å; T5-I376 PolarHBondContact N-O 3.36Å; I340-I376 HydrophobicContact CD1-CG2 3.85Å; I340-I376 HydrophobicContact CG1-CG2 3.95Å; I363-I376 HydrophobicContact CG2-CD1 3.85Å; G374-I376 PolarHBondContact O-N 2.91Å; I376-F434 HydrophobicContact CD1-CB 4.29Å; I376-F434 HydrophobicContact CD1-CD2 3.85Å; I376-F434 HydrophobicContact CG1-CB 4.34Å; I376-F434 HydrophobicContact CG1-CD2 3.92Å; I376-F434 HydrophobicContact CG1-CG 4.47Å; I376-F434 HydrophobicContact CG2-CD2 3.95Å; I376-F434 HydrophobicContact CG2-CE2 3.88Å
377	L	93.7	Very high	80.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	136.6	176.3	-176.1	69.4	0	0	0	109.9	T5 L7 Y336 G338 A339 I340 I398	T5-L377 HydrophobicContact CG2-CD1 3.76Å; T5-L377 CarbonylContact O-C 3.59Å; T5-L377 WeakPolarHBondContact O-CA 3.38Å; L7-L377 HydrophobicContact CB-CD1 4.25Å; L7-L377 HydrophobicContact CD1-CD1 4.21Å; L7-L377 HydrophobicContact CD1-CD2 4.46Å; Y336-L377 HydrophobicContact CD1-CB 3.98Å; Y336-L377 HydrophobicContact CD2-CB 3.93Å; Y336-L377 HydrophobicContact CD2-CD2 4.02Å; Y336-L377 HydrophobicContact CD2-CG 4.4Å; Y336-L377 HydrophobicContact CE1-CB 4.34Å; Y336-L377 HydrophobicContact CE1-CD1 4.32Å; Y336-L377 HydrophobicContact CE2-CB 4.27Å; Y336-L377 HydrophobicContact CE2-CD1 4.04Å; Y336-L377 HydrophobicContact CE2-CD2 4.03Å; Y336-L377 HydrophobicContact CE2-CG 4.36Å; Y336-L377 HydrophobicContact CG-CB 3.78Å; G338-L377 PolarHBondContact O-N 3.41Å; A339-L377 CarbonylContact C-O 3.53Å; A339-L377 VanDerWaalsContact CA-O 3.23Å; A339-L377 WeakPolarHBondContact CA-O 3.46Å; A339-L377 HydrophobicContact CB-CB 4.33Å; I340-L377 PolarHBondContact N-O 3.05Å; L377-I398 HydrophobicContact CB-CD1 4.44Å; L377-I398 HydrophobicContact CD2-CD1 3.56Å
378	V	94.9	Very high	82.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.3	171.7	-175.7	0	0	0	0	107.8	F4 T5 F6 L7 I340 L342 L360 D380	F4-V378 HydrophobicContact CB-CG2 3.98Å; F4-V378 HydrophobicContact CD1-CG2 3.89Å; F4-V378 HydrophobicContact CG-CG2 4.15Å; T5-V378 PolarHBondContact O-N 2.88Å; F6-V378 HydrophobicContact CD1-CB 3.83Å; F6-V378 HydrophobicContact CD1-CG1 3.95Å; F6-V378 HydrophobicContact CD1-CG2 4.43Å; F6-V378 HydrophobicContact CE1-CB 4Å; F6-V378 HydrophobicContact CE1-CG1 3.92Å; F6-V378 HydrophobicContact CE1-CG2 4.18Å; F6-V378 HydrophobicContact CG-CB 4.46Å; L7-V378 WeakPolarHBondContact CB-O 3.43Å; L7-V378 PolarHBondContact N-O 2.95Å; I340-V378 HydrophobicContact CB-CG2 4.35Å; I340-V378 HydrophobicContact CD1-CG2 4.32Å; I340-V378 CarbonylContact O-C 3.55Å; I340-V378 WeakPolarHBondContact O-CA 3.31Å; L342-V378 HydrophobicContact CD1-CG1 4.19Å; L342-V378 HydrophobicContact CD2-CG1 4.47Å; L342-V378 HydrophobicContact CG-CG1 4.25Å; L360-V378 HydrophobicContact CD2-CG2 3.97Å; V378-D380 VanDerWaalsContact C-N 3.34Å; V378-D380 HydrophobicContact CG1-CB 4.29Å; V378-D380 PolarHBondContact O-N 3.38Å; V378-D380 VanDerWaalsContact O-N 3.16Å
379	D	95.4	Very high	84.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	80.2	174	-167.5	-14.8	0	0	0	110.2	L7 I340 V341 L342 R381 K389 Q393	L7-D379 HydrophobicContact CD2-CB 4.28Å; I340-D379 PolarHBondContact O-N 2.9Å; V341-D379 HydrophobicContact CG1-CB 3.99Å; L342-D379 PolarHBondContact N-O 3.31Å; D379-R381 VanDerWaalsContact C-N 3.31Å; D379-R381 WeakPolarHBondContact OD1-CB 3.39Å; D379-R381 WeakPolarHBondContact OD1-CG 3.15Å; D379-R381 IonicContact OD1-CZ 3.97Å; D379-R381 PolarHBondContact OD1-N 2.84Å; D379-R381 IonicContact OD1-NE 2.85Å; D379-R381 PolarHBondContact OD1-NE 2.71Å; D379-R381 IonicContact OD1-NH2 2.93Å; D379-R381 IonicContact OD2-CZ 3.49Å; D379-R381 IonicContact OD2-NE 3.84Å; D379-R381 PolarHBondContact OD2-NE 3.21Å; D379-R381 IonicContact OD2-NH2 2.71Å; D379-R381 PolarHBondContact OD2-NH2 2.94Å; D379-K389 HydrophobicContact CB-CD 4.38Å; D379-K389 PolarHBondContact O-NZ 2.87Å; D379-K389 WeakPolarHBondContact OD2-CB 3.47Å; D379-K389 WeakPolarHBondContact OD2-CG 3.42Å; D379-Q393 PolarHBondContact OD2-NE2 3.39Å
380	D	93.9	Very high	86.8	Confident	28 Å²	28	39.5 Å²	39.5	15%	0.15	22%	0.223	C	C	.	.			trans	-91.7	14.2	178.1	67.4	-30.1	0	0	0	113	F6 L7 S8 L342 V378 M382	F6-D380 HydrophobicContact CD1-CB 4.31Å; L7-D380 PolarHBondContact N-OD1 2.88Å; S8-D380 VanDerWaalsContact CB-OD1 3.24Å; S8-D380 WeakPolarHBondContact CB-OD1 3.32Å; S8-D380 WeakPolarHBondContact CB-OD2 3.34Å; S8-D380 PolarHBondContact N-OD1 2.88Å; S8-D380 PolarHBondContact OG-OD1 2.72Å; S8-D380 PolarHBondContact OG-OD2 2.7Å; L342-D380 HydrophobicContact CD1-CB 3.99Å; V378-D380 VanDerWaalsContact C-N 3.34Å; V378-D380 HydrophobicContact CG1-CB 4.29Å; V378-D380 PolarHBondContact O-N 3.38Å; V378-D380 VanDerWaalsContact O-N 3.16Å; D380-M382 PolarHBondContact O-N 3.37Å
381	R	93.6	Very high	88.7	Confident	34 Å²	34	38.3 Å²	38.3	13%	0.128	22%	0.22	C	C	.	.			trans	-60.4	127.7	175.9	-65.4	177.8	-63.9	161.4	-0.5	110.2	L7 D379 L384 K389 D392	L7-R381 HydrophobicContact CB-CG 4.41Å; L7-R381 HydrophobicContact CD2-CG 4.17Å; L7-R381 VanDerWaalsContact CD2-NE 3.25Å; L7-R381 HydrophobicContact CG-CG 4.23Å; D379-R381 VanDerWaalsContact C-N 3.31Å; D379-R381 WeakPolarHBondContact OD1-CB 3.39Å; D379-R381 WeakPolarHBondContact OD1-CG 3.15Å; D379-R381 IonicContact OD1-CZ 3.97Å; D379-R381 PolarHBondContact OD1-N 2.84Å; D379-R381 IonicContact OD1-NE 2.85Å; D379-R381 PolarHBondContact OD1-NE 2.71Å; D379-R381 IonicContact OD1-NH2 2.93Å; D379-R381 IonicContact OD2-CZ 3.49Å; D379-R381 IonicContact OD2-NE 3.84Å; D379-R381 PolarHBondContact OD2-NE 3.21Å; D379-R381 IonicContact OD2-NH2 2.71Å; D379-R381 PolarHBondContact OD2-NH2 2.94Å; R381-L384 HydrophobicContact CB-CD1 3.93Å; R381-L384 VanDerWaalsContact CZ-CD1 3.49Å; R381-K389 WeakPolarHBondContact O-CE 3.48Å; R381-K389 PolarHBondContact O-NZ 2.81Å; R381-D392 IonicContact CZ-OD2 3.89Å; R381-D392 IonicContact NH1-OD2 3.27Å; R381-D392 PolarHBondContact NH1-OD2 2.99Å; R381-D392 IonicContact NH2-OD2 3.85Å; R381-D392 PolarHBondContact NH2-OD2 3.23Å
382	M	92.7	Very high	90.5	Very high	137 Å²	137	35.5 Å²	35.5	68%	0.675	21%	0.208	S	C	*	.	S	Bend	trans	-81	153.3	-177.2	-59.2	-63.2	-77.7	0	0	111.8	E345 D380 L384	E345-M382 HydrophobicContact CB-CE 3.54Å; E345-M382 HydrophobicContact CB-SD 4.42Å; E345-M382 HydrophobicContact CG-CE 3.48Å; E345-M382 VanDerWaalsContact CG-CE 3.48Å; D380-M382 PolarHBondContact O-N 3.37Å; M382-L384 PolarHBondContact O-N 3.11Å; M382-L384 VanDerWaalsContact O-N 3.15Å
383	G	92.7	Very high	92	Very high	38 Å²	38	34.5 Å²	34.5	39%	0.392	20%	0.203	S	C	.	.	S	Bend	trans	80.3	-15.3	172.5	0	0	0	0	0	115.9	K344 E345	K344-G383 WeakPolarHBondContact CE-O 3.41Å; K344-G383 PolarHBondContact NZ-O 3.39Å; E345-G383 WeakPolarHBondContact OE1-CA 3.27Å; E345-G383 PolarHBondContact OE1-N 2.88Å; E345-G383 PolarHBondContact OE2-N 3.13Å
384	L	92.8	Very high	93.4	Very high	56 Å²	56	30.7 Å²	30.7	29%	0.293	18%	0.178	S	C	.	.			trans	-84.5	143.4	177.8	-60.8	179.8	0	0	0	111.8	R381 M382 R388 K389	R381-L384 HydrophobicContact CB-CD1 3.93Å; R381-L384 VanDerWaalsContact CZ-CD1 3.49Å; M382-L384 PolarHBondContact O-N 3.11Å; M382-L384 VanDerWaalsContact O-N 3.15Å; L384-R388 HydrophobicContact CD2-CG 4.37Å; L384-K389 HydrophobicContact CB-CG 4.18Å
385	S	94.4	Very high	94.3	Very high	65 Å²	65	32.4 Å²	32.4	46%	0.455	18%	0.184	S	C	.	.			trans	-70.5	155.2	173.5	67.2	0	0	0	0	111.5	G387 R388 K389	S385-G387 VanDerWaalsContact C-N 3.3Å; S385-G387 PolarHBondContact O-N 3.19Å; S385-R388 WeakPolarHBondContact O-CB 3.45Å; S385-R388 PolarHBondContact O-N 3.08Å; S385-R388 VanDerWaalsContact O-N 3.08Å; S385-R388 WeakPolarHBondContact OG-CB 3.45Å; S385-R388 PolarHBondContact OG-N 3.29Å; S385-K389 PolarHBondContact O-N 3.32Å; S385-K389 VanDerWaalsContact O-N 3.07Å
386	L	94.6	Very high	94.6	Very high	17 Å²	17	32.3 Å²	32.3	9%	0.089	18%	0.183	C	C	.	.	H	α-helix	trans	-55.7	-45.7	175.1	-171.1	71.5	0	0	0	112	V341 R388 K389 I390 K405	V341-L386 HydrophobicContact CB-CD1 4.27Å; V341-L386 HydrophobicContact CG2-CD1 3.87Å; L386-R388 VanDerWaalsContact C-N 3.27Å; L386-R388 PolarHBondContact O-N 3.3Å; L386-K389 PolarHBondContact O-N 3.49Å; L386-K389 VanDerWaalsContact O-N 3.15Å; L386-I390 HydrophobicContact CD2-CD1 4.47Å; L386-I390 HydrophobicContact CG-CD1 4Å; L386-I390 VanDerWaalsContact O-CG1 3.32Å; L386-I390 WeakPolarHBondContact O-CG1 3.48Å; L386-I390 PolarHBondContact O-N 2.98Å; L386-K405 HydrophobicContact CD2-CD 4.34Å
387	G	94.7	Very high	94.9	Very high	48 Å²	48	31.7 Å²	31.7	50%	0.495	18%	0.18	S	C	.	.	H	α-helix	trans	-59.5	-35.7	177	0	0	0	0	0	113.3	S385 L391	S385-G387 VanDerWaalsContact C-N 3.3Å; S385-G387 PolarHBondContact O-N 3.19Å; G387-L391 WeakPolarHBondContact O-CB 3.44Å; G387-L391 PolarHBondContact O-N 2.92Å
388	R	94.7	Very high	95	Very high	82 Å²	82	31.7 Å²	31.7	31%	0.309	18%	0.18	S	C	.	.	H	α-helix	trans	-68.1	-43.3	175.5	-179.7	64.4	-155.1	-158.7	3	111.8	L384 S385 L386 L391 D392	L384-R388 HydrophobicContact CD2-CG 4.37Å; S385-R388 WeakPolarHBondContact O-CB 3.45Å; S385-R388 PolarHBondContact O-N 3.08Å; S385-R388 VanDerWaalsContact O-N 3.08Å; S385-R388 WeakPolarHBondContact OG-CB 3.45Å; S385-R388 PolarHBondContact OG-N 3.29Å; L386-R388 VanDerWaalsContact C-N 3.27Å; L386-R388 PolarHBondContact O-N 3.3Å; R388-L391 PolarHBondContact O-N 3.42Å; R388-D392 IonicContact CZ-OD1 3.17Å; R388-D392 IonicContact NE-OD1 2.93Å; R388-D392 PolarHBondContact NE-OD1 3.07Å; R388-D392 IonicContact NE-OD2 3.42Å; R388-D392 PolarHBondContact NE-OD2 2.99Å; R388-D392 IonicContact NH2-OD1 2.75Å; R388-D392 PolarHBondContact NH2-OD1 3.35Å; R388-D392 VanDerWaalsContact O-CG 3.3Å; R388-D392 PolarHBondContact O-N 3.44Å
389	K	95.5	Very high	95.1	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.013	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-47.9	176.3	-66.4	-178.2	179.8	-170.2	0	111.2	V341 L342 D379 R381 L384 S385 L386 L391 D392 Q393	V341-K389 HydrophobicContact CB-CB 4.02Å; V341-K389 HydrophobicContact CG1-CB 3.95Å; L342-K389 VanDerWaalsContact O-CD 3.31Å; L342-K389 WeakPolarHBondContact O-CD 3.49Å; L342-K389 WeakPolarHBondContact O-CE 3.22Å; L342-K389 PolarHBondContact O-NZ 3.15Å; D379-K389 HydrophobicContact CB-CD 4.38Å; D379-K389 PolarHBondContact O-NZ 2.87Å; D379-K389 WeakPolarHBondContact OD2-CB 3.47Å; D379-K389 WeakPolarHBondContact OD2-CG 3.42Å; R381-K389 WeakPolarHBondContact O-CE 3.48Å; R381-K389 PolarHBondContact O-NZ 2.81Å; L384-K389 HydrophobicContact CB-CG 4.18Å; S385-K389 PolarHBondContact O-N 3.32Å; S385-K389 VanDerWaalsContact O-N 3.07Å; L386-K389 PolarHBondContact O-N 3.49Å; L386-K389 VanDerWaalsContact O-N 3.15Å; K389-L391 VanDerWaalsContact C-N 3.34Å; K389-L391 PolarHBondContact O-N 3Å; K389-D392 PolarHBondContact O-N 2.93Å; K389-Q393 WeakPolarHBondContact O-CG 3.45Å; K389-Q393 PolarHBondContact O-N 2.75Å
390	I	97.1	Very high	95.2	Very high	31 Å²	31	32 Å²	32	16%	0.159	18%	0.182	C	C	.	.	H	α-helix	trans	-54	-51.2	175.1	-66.3	164.2	0	0	0	110.4	V341 L386 D392 Q393 S394 I401 T403 I415	V341-I390 HydrophobicContact CG2-CG1 3.87Å; L386-I390 HydrophobicContact CD2-CD1 4.47Å; L386-I390 HydrophobicContact CG-CD1 4Å; L386-I390 VanDerWaalsContact O-CG1 3.32Å; L386-I390 WeakPolarHBondContact O-CG1 3.48Å; L386-I390 PolarHBondContact O-N 2.98Å; I390-D392 VanDerWaalsContact C-N 3.33Å; I390-D392 PolarHBondContact O-N 3.27Å; I390-Q393 PolarHBondContact O-N 2.93Å; I390-S394 PolarHBondContact O-N 2.9Å; I390-S394 PolarHBondContact O-OG 3.33Å; I390-S394 VanDerWaalsContact O-OG 3.11Å; I390-I401 HydrophobicContact CG1-CG2 4.48Å; I390-I401 HydrophobicContact CG2-CD1 4.33Å; I390-T403 HydrophobicContact CD1-CG2 3.8Å; I390-T403 HydrophobicContact CG1-CG2 4.15Å; I390-I415 HydrophobicContact CD1-CD1 4.06Å; I390-I415 HydrophobicContact CG1-CD1 4.17Å; I390-I415 HydrophobicContact CG2-CD1 3.68Å
391	L	95.5	Very high	95.4	Very high	55 Å²	55	30.7 Å²	30.7	29%	0.288	18%	0.175	S	C	.	.	H	α-helix	trans	-58.2	-43.9	179.6	178	63	0	0	0	112.3	G387 R388 K389 S394 R395	G387-L391 WeakPolarHBondContact O-CB 3.44Å; G387-L391 PolarHBondContact O-N 2.92Å; R388-L391 PolarHBondContact O-N 3.42Å; K389-L391 VanDerWaalsContact C-N 3.34Å; K389-L391 PolarHBondContact O-N 3Å; L391-S394 PolarHBondContact O-N 3.39Å; L391-R395 HydrophobicContact CD1-CG 4.45Å; L391-R395 WeakPolarHBondContact O-CB 3.4Å; L391-R395 VanDerWaalsContact O-CG 3.22Å; L391-R395 WeakPolarHBondContact O-CG 3.35Å; L391-R395 PolarHBondContact O-N 3.46Å
392	D	94.5	Very high	95.6	Very high	5 Å²	5	29 Å²	29	3%	0.027	17%	0.169	C	C	.	.	H	α-helix	trans	-63.4	-42.6	178.5	-68.6	-20.4	0	0	0	111.5	I15 R381 R388 K389 I390 R395 L396	I15-D392 HydrophobicContact CD1-CB 4.15Å; I15-D392 WeakPolarHBondContact CD1-OD2 3.27Å; R381-D392 IonicContact CZ-OD2 3.89Å; R381-D392 IonicContact NH1-OD2 3.27Å; R381-D392 PolarHBondContact NH1-OD2 2.99Å; R381-D392 IonicContact NH2-OD2 3.85Å; R381-D392 PolarHBondContact NH2-OD2 3.23Å; R388-D392 IonicContact CZ-OD1 3.17Å; R388-D392 IonicContact NE-OD1 2.93Å; R388-D392 PolarHBondContact NE-OD1 3.07Å; R388-D392 IonicContact NE-OD2 3.42Å; R388-D392 PolarHBondContact NE-OD2 2.99Å; R388-D392 IonicContact NH2-OD1 2.75Å; R388-D392 PolarHBondContact NH2-OD1 3.35Å; R388-D392 VanDerWaalsContact O-CG 3.3Å; R388-D392 PolarHBondContact O-N 3.44Å; K389-D392 PolarHBondContact O-N 2.93Å; I390-D392 VanDerWaalsContact C-N 3.33Å; I390-D392 PolarHBondContact O-N 3.27Å; D392-R395 WeakPolarHBondContact O-CB 3.29Å; D392-R395 PolarHBondContact O-N 3.42Å; D392-L396 PolarHBondContact O-N 3.13Å; D392-L396 VanDerWaalsContact O-N 3.13Å
393	Q	96.1	Very high	95.9	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-69.3	-36.1	177.9	-56.9	-37.7	-44.6	0	0	112.5	A339 V341 D379 K389 I390 R395 L396 G397 I398 I401	A339-Q393 HydrophobicContact CB-CB 4.18Å; A339-Q393 HydrophobicContact CB-CG 3.87Å; V341-Q393 HydrophobicContact CG1-CG 3.68Å; D379-Q393 PolarHBondContact OD2-NE2 3.39Å; K389-Q393 WeakPolarHBondContact O-CG 3.45Å; K389-Q393 PolarHBondContact O-N 2.75Å; I390-Q393 PolarHBondContact O-N 2.93Å; Q393-R395 VanDerWaalsContact C-N 3.32Å; Q393-R395 PolarHBondContact O-N 3.23Å; Q393-L396 PolarHBondContact O-N 3.04Å; Q393-G397 PolarHBondContact O-N 3.23Å; Q393-I398 HydrophobicContact CB-CD1 4.31Å; Q393-I398 PolarHBondContact O-N 3.21Å; Q393-I401 HydrophobicContact CB-CD1 3.66Å; Q393-I401 HydrophobicContact CB-CG1 3.97Å
394	S	96.8	Very high	96	Very high	14 Å²	14	20.7 Å²	20.7	10%	0.098	12%	0.118	C	C	.	.	H	α-helix	trans	-64	-36.6	171.2	-62.6	0	0	0	0	112.2	I390 L391 L396 G397	I390-S394 PolarHBondContact O-N 2.9Å; I390-S394 PolarHBondContact O-OG 3.33Å; I390-S394 VanDerWaalsContact O-OG 3.11Å; L391-S394 PolarHBondContact O-N 3.39Å; S394-L396 VanDerWaalsContact C-N 3.35Å; S394-G397 PolarHBondContact O-N 2.97Å; S394-G397 VanDerWaalsContact O-N 3.08Å
395	R	95.9	Very high	96	Very high	39 Å²	39	19.6 Å²	19.6	15%	0.147	11%	0.11	C	C	.	.	H	α-helix	trans	-63.6	-39.8	175.6	-77	171.1	175.1	-159.3	-4.5	112.4	Y34 T325 Q326 L327 L391 D392 Q393 G397	Y34-R395 HydrophobicContact CE1-CB 4.34Å; Y34-R395 HydrophobicContact CE2-CB 3.89Å; Y34-R395 WeakPolarHBondContact OH-CD 3.34Å; Y34-R395 WeakPolarHBondContact OH-CG 3.47Å; T325-R395 WeakPolarHBondContact O-CG 3.43Å; Q326-R395 HydrophobicContact CG-CG 4.41Å; L327-R395 PolarHBondContact N-O 3.02Å; L391-R395 HydrophobicContact CD1-CG 4.45Å; L391-R395 WeakPolarHBondContact O-CB 3.4Å; L391-R395 VanDerWaalsContact O-CG 3.22Å; L391-R395 WeakPolarHBondContact O-CG 3.35Å; L391-R395 PolarHBondContact O-N 3.46Å; D392-R395 WeakPolarHBondContact O-CB 3.29Å; D392-R395 PolarHBondContact O-N 3.42Å; Q393-R395 VanDerWaalsContact C-N 3.32Å; Q393-R395 PolarHBondContact O-N 3.23Å; R395-G397 PolarHBondContact O-N 3.48Å
396	L	95.5	Very high	95.7	Very high	12 Å²	12	18.8 Å²	18.8	6%	0.063	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-9.8	173.8	-66.1	-179.3	0	0	0	113.3	L36 W329 D392 Q393 S394 I398	L36-L396 HydrophobicContact CD1-CD2 4.14Å; L36-L396 HydrophobicContact CD2-CD2 3.97Å; W329-L396 PolarHBondContact NE1-O 3.36Å; D392-L396 PolarHBondContact O-N 3.13Å; D392-L396 VanDerWaalsContact O-N 3.13Å; Q393-L396 PolarHBondContact O-N 3.04Å; S394-L396 VanDerWaalsContact C-N 3.35Å; L396-I398 VanDerWaalsContact C-N 3.33Å; L396-I398 HydrophobicContact CB-CD1 4.48Å; L396-I398 HydrophobicContact CB-CG1 4.17Å
397	G	97.3	Very high	95	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	27.3	178.4	0	0	0	0	0	113.5	L327 Q393 S394 R395 Y418	L327-G397 WeakPolarHBondContact O-CA 3.49Å; Q393-G397 PolarHBondContact O-N 3.23Å; S394-G397 PolarHBondContact O-N 2.97Å; S394-G397 VanDerWaalsContact O-N 3.08Å; R395-G397 PolarHBondContact O-N 3.48Å; G397-Y418 WeakPolarHBondContact O-CE2 3.46Å; G397-Y418 PolarHBondContact O-OH 2.91Å
398	I	96.6	Very high	94	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.136	C	C	.	.			trans	-66.9	125.1	174.6	-60.4	179.4	0	0	0	108.2	Y336 A339 L377 Q393 L396 W400 V417	Y336-I398 HydrophobicContact CD2-CD1 3.93Å; Y336-I398 HydrophobicContact CD2-CG1 4.41Å; A339-I398 HydrophobicContact CB-CD1 3.86Å; A339-I398 HydrophobicContact CB-CG2 3.96Å; L377-I398 HydrophobicContact CB-CD1 4.44Å; L377-I398 HydrophobicContact CD2-CD1 3.56Å; Q393-I398 HydrophobicContact CB-CD1 4.31Å; Q393-I398 PolarHBondContact O-N 3.21Å; L396-I398 VanDerWaalsContact C-N 3.33Å; L396-I398 HydrophobicContact CB-CD1 4.48Å; L396-I398 HydrophobicContact CB-CG1 4.17Å; I398-W400 PolarHBondContact O-N 3.29Å; I398-V417 WeakPolarHBondContact O-CB 3.44Å; I398-V417 WeakPolarHBondContact O-CG2 3.43Å
399	P	97.3	Very high	93.6	Very high	2 Å²	2	32 Å²	32	1%	0.013	15%	0.149	C	C	.	.	S	Bend	trans	-59.9	-43.8	-169.3	-26.5	35.7	0	0	0	114.6	V331 A334 Y336 V417 Y418 P437	V331-P399 HydrophobicContact CG1-CB 4Å; V331-P399 HydrophobicContact CG1-CG 3.87Å; A334-P399 HydrophobicContact CB-CG 3.67Å; Y336-P399 WeakPolarHBondContact O-CD 3.26Å; P399-V417 WeakPolarHBondContact O-CB 3.32Å; P399-V417 PolarHBondContact O-N 3.09Å; P399-Y418 HydrophobicContact CB-CD2 4.27Å; P399-Y418 HydrophobicContact CB-CE2 4.09Å; P399-Y418 HydrophobicContact CG-CE2 4.11Å; P399-P437 HydrophobicContact CB-CB 4.4Å
400	W	97.6	Very high	93.2	Very high	5 Å²	5	33.7 Å²	33.7	2%	0.019	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.3	-175.7	-64.9	99.5	0	0	0	111.4	G338 A339 I398 L414 I415 D416 A433 F434 P437 F440 A442	G338-W400 CarbonylContact C-O 3.49Å; G338-W400 WeakPolarHBondContact CA-O 3.38Å; A339-W400 PolarHBondContact N-O 3.18Å; I398-W400 PolarHBondContact O-N 3.29Å; W400-L414 HydrophobicContact CB-CD1 4.41Å; W400-L414 HydrophobicContact CE3-CD1 4.02Å; W400-L414 HydrophobicContact CE3-CD2 4.06Å; W400-L414 HydrophobicContact CE3-CG 3.83Å; W400-L414 HydrophobicContact CZ3-CD2 4.15Å; W400-L414 HydrophobicContact CZ3-CG 4.16Å; W400-I415 WeakPolarHBondContact CA-O 3.4Å; W400-D416 HydrophobicContact CE3-CB 4.11Å; W400-D416 HydrophobicContact CH2-CB 3.65Å; W400-D416 WeakPolarHBondContact CH2-OD2 3.19Å; W400-D416 HydrophobicContact CZ2-CB 4.48Å; W400-D416 HydrophobicContact CZ3-CB 3.46Å; W400-D416 VanDerWaalsContact CZ3-CB 3.46Å; W400-A433 HydrophobicContact CD2-CB 3.85Å; W400-A433 HydrophobicContact CE3-CB 4.22Å; W400-A433 HydrophobicContact CG-CB 4.01Å; W400-F434 HydrophobicContact CB-CD1 3.72Å; W400-F434 HydrophobicContact CB-CE1 3.52Å; W400-F434 HydrophobicContact CG-CD1 4.48Å; W400-P437 PolarHBondContact NE1-O 2.79Å; W400-F440 AromaticContact CH2-CD1 3.65Å; W400-F440 HydrophobicContact CH2-CD1 3.65Å; W400-F440 HydrophobicContact CH2-CE1 4.14Å; W400-F440 HydrophobicContact CZ2-CB 4.36Å; W400-F440 AromaticContact CZ2-CD1 3.69Å; W400-F440 HydrophobicContact CZ2-CD1 3.69Å; W400-F440 HydrophobicContact CZ3-CD1 4.2Å; W400-F440 HydrophobicContact CZ3-CE1 4.34Å; W400-A442 HydrophobicContact CH2-CB 3.82Å; W400-A442 HydrophobicContact CZ3-CB 4.08Å
401	I	98.3	Very high	93	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.9	173.9	-56.7	164.7	0	0	0	108.9	A339 V341 I390 Q393 I415 V417	A339-I401 HydrophobicContact CB-CG1 4.46Å; A339-I401 CarbonylContact O-C 3.49Å; A339-I401 WeakPolarHBondContact O-CA 3.21Å; V341-I401 HydrophobicContact CB-CG2 4.32Å; V341-I401 HydrophobicContact CG1-CG2 3.75Å; V341-I401 HydrophobicContact CG2-CG2 3.56Å; I390-I401 HydrophobicContact CG1-CG2 4.48Å; I390-I401 HydrophobicContact CG2-CD1 4.33Å; Q393-I401 HydrophobicContact CB-CD1 3.66Å; Q393-I401 HydrophobicContact CB-CG1 3.97Å; I401-I415 HydrophobicContact CB-CB 4.16Å; I401-I415 HydrophobicContact CB-CD1 4.46Å; I401-I415 PolarHBondContact N-O 3.44Å; I401-I415 PolarHBondContact O-N 2.94Å; I401-V417 HydrophobicContact CD1-CG2 3.47Å; I401-V417 VanDerWaalsContact CD1-CG2 3.47Å; I401-V417 HydrophobicContact CG1-CG2 3.85Å
402	L	98	Very high	93	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122.5	171.3	-179.9	70.2	0	0	0	109.3	A339 I340 V341 I363 V404 Y412 L414 L427 A430 F434	A339-L402 PolarHBondContact O-N 2.84Å; I340-L402 WeakPolarHBondContact CA-O 3.41Å; V341-L402 WeakPolarHBondContact CG2-O 3.27Å; V341-L402 PolarHBondContact N-O 2.96Å; I363-L402 HydrophobicContact CD1-CD2 3.27Å; I363-L402 HydrophobicContact CG1-CD2 4.31Å; L402-V404 HydrophobicContact CD2-CG2 4.02Å; L402-V404 HydrophobicContact CG-CG2 4.13Å; L402-Y412 HydrophobicContact CD1-CG 4.27Å; L402-L414 HydrophobicContact CB-CD1 4.45Å; L402-L427 HydrophobicContact CD2-CD2 4.13Å; L402-A430 HydrophobicContact CD1-CB 3.81Å; L402-A430 HydrophobicContact CD2-CB 4.03Å; L402-A430 HydrophobicContact CG-CB 4.4Å; L402-F434 HydrophobicContact CB-CE2 4.48Å; L402-F434 HydrophobicContact CB-CZ 3.76Å
403	T	97.6	Very high	93.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128.1	173.4	88.8	0	0	0	0	110.6	V341 I390 E413 I415	V341-T403 HydrophobicContact CG2-CG2 3.77Å; I390-T403 HydrophobicContact CD1-CG2 3.8Å; I390-T403 HydrophobicContact CG1-CG2 4.15Å; T403-E413 HydrophobicContact CG2-CB 4.03Å; T403-E413 HydrophobicContact CG2-CG 4.09Å; T403-E413 WeakPolarHBondContact CG2-OE2 3.44Å; T403-E413 PolarHBondContact N-O 2.81Å; T403-E413 VanDerWaalsContact OG1-CB 3.3Å; T403-E413 WeakPolarHBondContact OG1-CB 3.19Å; T403-E413 PolarHBondContact OG1-OE2 3.15Å; T403-E413 VanDerWaalsContact OG1-OE2 3.07Å; T403-I415 HydrophobicContact CG2-CD1 4.13Å
404	V	95.9	Very high	93.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	115.1	-174.4	169.3	0	0	0	0	110	I340 V341 L342 Q343 V351 I359 L402	I340-V404 HydrophobicContact CG2-CB 4.21Å; I340-V404 HydrophobicContact CG2-CG2 3.51Å; V341-V404 PolarHBondContact O-N 3.4Å; L342-V404 HydrophobicContact CD2-CB 3.92Å; L342-V404 HydrophobicContact CD2-CG1 3.92Å; Q343-V404 WeakPolarHBondContact CB-O 3.42Å; Q343-V404 PolarHBondContact N-O 3.48Å; V351-V404 HydrophobicContact CB-CG1 4.32Å; V351-V404 HydrophobicContact CG1-CG1 3.53Å; V351-V404 HydrophobicContact CG2-CG1 3.87Å; I359-V404 HydrophobicContact CD1-CG1 3.59Å; I359-V404 HydrophobicContact CG2-CG2 4.07Å; L402-V404 HydrophobicContact CD2-CG2 4.02Å; L402-V404 HydrophobicContact CG-CG2 4.13Å
405	K	93.1	Very high	93.3	Very high	32 Å²	32	32.1 Å²	32.1	14%	0.139	16%	0.158	C	C	.	.			trans	-134.4	156.3	177.1	-67.1	167.3	168.3	-135	0	108.2	Q343 D349 L386 Q407	Q343-K405 HydrophobicContact CB-CG 3.82Å; Q343-K405 HydrophobicContact CG-CG 4.15Å; D349-K405 HydrophobicContact CB-CB 4.44Å; D349-K405 CarbonylContact O-C 3.48Å; D349-K405 VanDerWaalsContact O-CA 3.31Å; D349-K405 WeakPolarHBondContact O-CA 3.29Å; D349-K405 WeakPolarHBondContact O-CB 3.39Å; D349-K405 VanDerWaalsContact OD2-CD 3.24Å; D349-K405 WeakPolarHBondContact OD2-CD 3.36Å; D349-K405 WeakPolarHBondContact OD2-CE 3.47Å; D349-K405 IonicContact OD2-NZ 2.99Å; D349-K405 PolarHBondContact OD2-NZ 2.8Å; L386-K405 HydrophobicContact CD2-CD 4.34Å; K405-Q407 HydrophobicContact CB-CG 4.15Å; K405-Q407 PolarHBondContact O-N 2.98Å; K405-Q407 VanDerWaalsContact O-N 3.12Å
406	S	87.9	Confident	93.4	Very high	48 Å²	48	30.7 Å²	30.7	34%	0.336	15%	0.154	S	C	.	.			trans	-65.2	109.6	167.7	157.5	0	0	0	0	108.4	D349 S350	D349-S406 PolarHBondContact O-N 3.28Å; S350-S406 WeakPolarHBondContact O-CB 3.44Å
407	Q	78.7	Confident	93.5	Very high	57 Å²	57	30.3 Å²	30.3	27%	0.266	15%	0.152	S	C	.	.			trans	-125.6	141.1	-178.5	-61.3	-130.1	22.8	0	0	110.7	K405 T411	K405-Q407 HydrophobicContact CB-CG 4.15Å; K405-Q407 PolarHBondContact O-N 2.98Å; K405-Q407 VanDerWaalsContact O-N 3.12Å; Q407-T411 VanDerWaalsContact CD-O 3.23Å; Q407-T411 PolarHBondContact OE1-O 3.21Å
408	R	74	Confident	93.5	Very high	259 Å²	259	33.3 Å²	33.3	98%	0.977	16%	0.163	S	C	*	.	S	Bend	trans	-89.7	-23.2	-177.5	-67.3	-175.3	-178.5	-179.9	0.1	114
409	D	86.7	Confident	93.4	Very high	109 Å²	109	39.2 Å²	39.2	58%	0.583	19%	0.189	S	C	*	.	S	Bend	trans	-90.8	-3.1	-175	67.3	4.6	0	0	0	113.8	T411	D409-T411 VanDerWaalsContact C-N 3.27Å; D409-T411 VanDerWaalsContact CG-OG1 3.25Å; D409-T411 PolarHBondContact O-N 3.06Å; D409-T411 PolarHBondContact OD1-N 3.48Å; D409-T411 PolarHBondContact OD1-OG1 2.94Å; D409-T411 PolarHBondContact OD2-OG1 3.21Å; D409-T411 VanDerWaalsContact OD2-OG1 3.14Å
410	G	86.6	Confident	93.2	Very high	39 Å²	39	46.3 Å²	46.3	40%	0.402	23%	0.227	S	C	.	.	S	Bend	trans	74.1	13.5	-179.5	0	0	0	0	0	114.5
411	T	93.1	Very high	93.1	Very high	32 Å²	32	49.2 Å²	49.2	20%	0.196	24%	0.238	C	C	.	.			trans	-109.4	152.6	177.4	74.5	0	0	0	0	112.4	Q407 D409 V424	Q407-T411 VanDerWaalsContact CD-O 3.23Å; Q407-T411 PolarHBondContact OE1-O 3.21Å; D409-T411 VanDerWaalsContact C-N 3.27Å; D409-T411 VanDerWaalsContact CG-OG1 3.25Å; D409-T411 PolarHBondContact O-N 3.06Å; D409-T411 PolarHBondContact OD1-N 3.48Å; D409-T411 PolarHBondContact OD1-OG1 2.94Å; D409-T411 PolarHBondContact OD2-OG1 3.21Å; D409-T411 VanDerWaalsContact OD2-OG1 3.14Å; T411-V424 HydrophobicContact CG2-CG1 3.94Å
412	Y	95.7	Very high	93.1	Very high	18 Å²	18	49.8 Å²	49.8	7%	0.071	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	158.9	-174.5	-60.1	-93	0	0	0	109.7	I359 L402 A425 L427	I359-Y412 HydrophobicContact CD1-CE1 3.94Å; L402-Y412 HydrophobicContact CD1-CG 4.27Å; Y412-A425 PolarHBondContact N-O 3.48Å; Y412-A425 PolarHBondContact O-N 2.87Å; Y412-L427 HydrophobicContact CD2-CD2 3.62Å; Y412-L427 HydrophobicContact CD2-CG 3.97Å; Y412-L427 HydrophobicContact CE1-CD2 4.38Å; Y412-L427 HydrophobicContact CE2-CD1 4.11Å; Y412-L427 HydrophobicContact CE2-CD2 3.42Å; Y412-L427 VanDerWaalsContact CE2-CD2 3.42Å; Y412-L427 HydrophobicContact CE2-CG 3.5Å; Y412-L427 VanDerWaalsContact CE2-CG 3.5Å; Y412-L427 HydrophobicContact CG-CD2 4.21Å
413	E	96.7	Very high	93.1	Very high	11 Å²	11	49.9 Å²	49.9	5%	0.051	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	120.6	171.8	-177.3	179.9	-157.1	0	0	109.3	T403 I415 C423 W448 R454	T403-E413 HydrophobicContact CG2-CB 4.03Å; T403-E413 HydrophobicContact CG2-CG 4.09Å; T403-E413 WeakPolarHBondContact CG2-OE2 3.44Å; T403-E413 PolarHBondContact N-O 2.81Å; T403-E413 VanDerWaalsContact OG1-CB 3.3Å; T403-E413 WeakPolarHBondContact OG1-CB 3.19Å; T403-E413 PolarHBondContact OG1-OE2 3.15Å; T403-E413 VanDerWaalsContact OG1-OE2 3.07Å; E413-I415 HydrophobicContact CG-CD1 4.48Å; E413-I415 HydrophobicContact CG-CG1 4.03Å; E413-C423 WeakPolarHBondContact CA-O 3.36Å; E413-W448 HydrophobicContact CB-CD2 3.53Å; E413-W448 HydrophobicContact CB-CE3 3.76Å; E413-W448 HydrophobicContact CB-CG 4.03Å; E413-W448 HydrophobicContact CB-CH2 4.15Å; E413-W448 HydrophobicContact CB-CZ2 3.88Å; E413-W448 HydrophobicContact CB-CZ3 4.08Å; E413-W448 VanDerWaalsContact CD-CD1 3.47Å; E413-W448 HydrophobicContact CG-CB 4.25Å; E413-W448 HydrophobicContact CG-CD2 3.72Å; E413-W448 HydrophobicContact CG-CE3 4.32Å; E413-W448 HydrophobicContact CG-CG 3.63Å; E413-W448 PolarHBondContact OE1-NE1 3.11Å; E413-R454 IonicContact OE1-CZ 3.74Å; E413-R454 IonicContact OE1-NH2 2.57Å; E413-R454 PolarHBondContact OE1-NH2 2.99Å
414	L	97.9	Very high	93	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.8	171.1	-178.6	67.2	0	0	0	109	W400 L402 S422 C423 A425 A430 A433 F434 F440	W400-L414 HydrophobicContact CB-CD1 4.41Å; W400-L414 HydrophobicContact CE3-CD1 4.02Å; W400-L414 HydrophobicContact CE3-CD2 4.06Å; W400-L414 HydrophobicContact CE3-CG 3.83Å; W400-L414 HydrophobicContact CZ3-CD2 4.15Å; W400-L414 HydrophobicContact CZ3-CG 4.16Å; L402-L414 HydrophobicContact CB-CD1 4.45Å; L414-S422 WeakPolarHBondContact O-CA 3.47Å; L414-C423 PolarHBondContact N-O 3.15Å; L414-C423 PolarHBondContact O-N 3.3Å; L414-C423 PolarHBondContact O-SG 2.93Å; L414-A425 HydrophobicContact CB-CB 3.63Å; L414-A425 HydrophobicContact CD2-CB 3.93Å; L414-A425 HydrophobicContact CG-CB 4.44Å; L414-A430 HydrophobicContact CD1-CB 4.29Å; L414-A433 HydrophobicContact CD2-CB 4.05Å; L414-F434 HydrophobicContact CD1-CE1 4.33Å; L414-F440 HydrophobicContact CD2-CE1 3.98Å; L414-F440 HydrophobicContact CD2-CZ 4.41Å
415	I	98.3	Very high	93	Very high	11 Å²	11	51.8 Å²	51.8	6%	0.056	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.9	-176.6	-51.5	175.1	0	0	0	108.8	I390 W400 I401 T403 E413 V417 R421	I390-I415 HydrophobicContact CD1-CD1 4.06Å; I390-I415 HydrophobicContact CG1-CD1 4.17Å; I390-I415 HydrophobicContact CG2-CD1 3.68Å; W400-I415 WeakPolarHBondContact CA-O 3.4Å; I401-I415 HydrophobicContact CB-CB 4.16Å; I401-I415 HydrophobicContact CB-CD1 4.46Å; I401-I415 PolarHBondContact N-O 3.44Å; I401-I415 PolarHBondContact O-N 2.94Å; T403-I415 HydrophobicContact CG2-CD1 4.13Å; E413-I415 HydrophobicContact CG-CD1 4.48Å; E413-I415 HydrophobicContact CG-CG1 4.03Å; I415-V417 HydrophobicContact CG2-CG2 4.39Å; I415-R421 CarbonylContact C-O 3.43Å; I415-R421 WeakPolarHBondContact CA-O 3.5Å
416	D	97.9	Very high	93.2	Very high	10 Å²	10	52.9 Å²	52.9	5%	0.053	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	104.2	163.1	-172.3	-31	0	0	0	107.9	W400 Y418 K419 D420 R421	W400-D416 HydrophobicContact CE3-CB 4.11Å; W400-D416 HydrophobicContact CH2-CB 3.65Å; W400-D416 WeakPolarHBondContact CH2-OD2 3.19Å; W400-D416 HydrophobicContact CZ2-CB 4.48Å; W400-D416 HydrophobicContact CZ3-CB 3.46Å; W400-D416 VanDerWaalsContact CZ3-CB 3.46Å; D416-Y418 PolarHBondContact O-N 2.96Å; D416-Y418 PolarHBondContact OD1-N 2.8Å; D416-K419 HydrophobicContact CB-CB 4.24Å; D416-K419 PolarHBondContact OD1-N 2.96Å; D416-K419 WeakPolarHBondContact OD2-CD 3.43Å; D416-K419 VanDerWaalsContact OD2-CG 3.27Å; D416-K419 WeakPolarHBondContact OD2-CG 3.24Å; D416-D420 PolarHBondContact O-N 2.96Å; D416-D420 VanDerWaalsContact O-N 3.09Å; D416-R421 PolarHBondContact N-O 2.81Å; D416-R421 PolarHBondContact O-N 3.09Å; D416-R421 VanDerWaalsContact O-N 3.09Å
417	V	98	Very high	93.5	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.024	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-26.4	-177.9	173	0	0	0	0	111.6	R328 I398 P399 I401 I415	R328-V417 PolarHBondContact NH2-O 3.38Å; I398-V417 WeakPolarHBondContact O-CB 3.44Å; I398-V417 WeakPolarHBondContact O-CG2 3.43Å; P399-V417 WeakPolarHBondContact O-CB 3.32Å; P399-V417 PolarHBondContact O-N 3.09Å; I401-V417 HydrophobicContact CD1-CG2 3.47Å; I401-V417 VanDerWaalsContact CD1-CG2 3.47Å; I401-V417 HydrophobicContact CG1-CG2 3.85Å; I415-V417 HydrophobicContact CG2-CG2 4.39Å
418	Y	97	Very high	94.2	Very high	62 Å²	62	52.9 Å²	52.9	24%	0.243	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-27.9	-172.7	-76.9	-121.2	0	0	0	111.2	R328 W329 V331 G397 P399 D416	R328-Y418 HydrophobicContact CB-CE1 4.15Å; R328-Y418 HydrophobicContact CG-CE1 4.45Å; W329-Y418 PolarHBondContact N-OH 3.01Å; W329-Y418 WeakPolarHBondContact O-CE1 3.39Å; W329-Y418 PolarHBondContact O-OH 2.91Å; V331-Y418 HydrophobicContact CG2-CD1 3.95Å; V331-Y418 HydrophobicContact CG2-CE1 3.91Å; V331-Y418 HydrophobicContact CG2-CG 4.45Å; G397-Y418 WeakPolarHBondContact O-CE2 3.46Å; G397-Y418 PolarHBondContact O-OH 2.91Å; P399-Y418 HydrophobicContact CB-CD2 4.27Å; P399-Y418 HydrophobicContact CB-CE2 4.09Å; P399-Y418 HydrophobicContact CG-CE2 4.11Å; D416-Y418 PolarHBondContact O-N 2.96Å; D416-Y418 PolarHBondContact OD1-N 2.8Å
419	K	95.3	Very high	95.2	Very high	125 Å²	125	43.7 Å²	43.7	54%	0.543	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	3.5	172.4	-59.7	-175.2	-170.7	167.2	0	114.4	D416 R421 D441	D416-K419 HydrophobicContact CB-CB 4.24Å; D416-K419 PolarHBondContact OD1-N 2.96Å; D416-K419 WeakPolarHBondContact OD2-CD 3.43Å; D416-K419 VanDerWaalsContact OD2-CG 3.27Å; D416-K419 WeakPolarHBondContact OD2-CG 3.24Å; K419-R421 HydrophobicContact CB-CB 4.4Å; K419-R421 PolarHBondContact O-N 3.12Å; K419-D441 IonicContact NZ-OD1 3.88Å
420	D	94.1	Very high	95.6	Very high	150 Å²	150	38.5 Å²	38.5	80%	0.802	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	45.3	-175.5	-165.6	31.7	0	0	0	112.7	D416	D416-D420 PolarHBondContact O-N 2.96Å; D416-D420 VanDerWaalsContact O-N 3.09Å
421	R	95.2	Very high	95.9	Very high	66 Å²	66	40.2 Å²	40.2	25%	0.249	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.4	-172.5	-176.3	168.8	173.4	-129.4	4.9	111.7	I415 D416 K419 A442 S443 L445	I415-R421 CarbonylContact C-O 3.43Å; I415-R421 WeakPolarHBondContact CA-O 3.5Å; D416-R421 PolarHBondContact N-O 2.81Å; D416-R421 PolarHBondContact O-N 3.09Å; D416-R421 VanDerWaalsContact O-N 3.09Å; K419-R421 HydrophobicContact CB-CB 4.4Å; K419-R421 PolarHBondContact O-N 3.12Å; R421-A442 PolarHBondContact NH1-O 2.89Å; R421-A442 PolarHBondContact NH2-O 2.91Å; R421-S443 PolarHBondContact NH2-O 3.43Å; R421-L445 PolarHBondContact NH2-O 3.14Å
422	S	97.3	Very high	95.9	Very high	13 Å²	13	41 Å²	41	9%	0.091	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.4	173.4	-49.8	0	0	0	0	110.2	L414 W448 R454	L414-S422 WeakPolarHBondContact O-CA 3.47Å; S422-W448 PolarHBondContact O-N 2.83Å; S422-R454 VanDerWaalsContact CB-NH2 3.28Å; S422-R454 PolarHBondContact OG-NH1 2.93Å; S422-R454 PolarHBondContact OG-NH2 2.92Å
423	C	97.2	Very high	95.8	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	157.2	-176.1	60.2	0	0	0	0	111.9	E413 L414 L445 P446	E413-C423 WeakPolarHBondContact CA-O 3.36Å; L414-C423 PolarHBondContact N-O 3.15Å; L414-C423 PolarHBondContact O-N 3.3Å; L414-C423 PolarHBondContact O-SG 2.93Å; C423-L445 HydrophobicContact CB-CB 3.71Å; C423-L445 HydrophobicContact CB-CD1 4.34Å; C423-L445 VanDerWaalsContact SG-CD1 3.58Å; C423-P446 CarbonylContact C-O 3.48Å; C423-P446 WeakPolarHBondContact CA-O 3.16Å; C423-P446 WeakPolarHBondContact CB-O 3.34Å
424	V	96.5	Very high	95.6	Very high	38 Å²	38	39.7 Å²	39.7	23%	0.23	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	122.4	169.9	-175.6	0	0	0	0	107.8	T411 P446 W448	T411-V424 HydrophobicContact CG2-CG1 3.94Å; V424-P446 HydrophobicContact CB-CB 4.32Å; V424-P446 HydrophobicContact CG2-CB 4.28Å; V424-P446 PolarHBondContact N-O 2.97Å; V424-W448 HydrophobicContact CB-CE3 4.19Å; V424-W448 HydrophobicContact CG1-CZ3 4.4Å; V424-W448 HydrophobicContact CG2-CE3 3.65Å; V424-W448 HydrophobicContact CG2-CZ3 4.17Å
425	A	96.6	Very high	95.2	Very high	1 Å²	1	41 Å²	41	1%	0.008	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	148.8	-179.2	0	0	0	0	0	111.8	Y412 L414 Q429 L445	Y412-A425 PolarHBondContact N-O 3.48Å; Y412-A425 PolarHBondContact O-N 2.87Å; L414-A425 HydrophobicContact CB-CB 3.63Å; L414-A425 HydrophobicContact CD2-CB 3.93Å; L414-A425 HydrophobicContact CG-CB 4.44Å; A425-Q429 HydrophobicContact CB-CB 4.14Å; A425-L445 HydrophobicContact CB-CD1 4.22Å
426	T	95.6	Very high	94.9	Very high	56 Å²	56	43.7 Å²	43.7	34%	0.344	22%	0.217	S	C	.	.			trans	-78	163.3	164.4	59.8	0	0	0	0	110.5	E428 Q429 A430	T426-E428 PolarHBondContact O-N 3.37Å; T426-Q429 PolarHBondContact O-N 3.21Å; T426-Q429 WeakPolarHBondContact OG1-CG 3.43Å; T426-Q429 PolarHBondContact OG1-N 3.35Å; T426-Q429 PolarHBondContact OG1-OE1 3.37Å; T426-A430 PolarHBondContact O-N 3.41Å
427	L	94.5	Very high	94.6	Very high	12 Å²	12	44.5 Å²	44.5	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-58.1	-32.1	173.2	-64.3	178.9	0	0	0	112.5	Y358 I359 T362 I363 L402 Y412 A430 R431	Y358-L427 HydrophobicContact CD1-CD1 4.4Å; Y358-L427 HydrophobicContact CE1-CD1 3.88Å; I359-L427 HydrophobicContact CB-CD1 4.45Å; I359-L427 HydrophobicContact CG1-CD1 3.99Å; I359-L427 HydrophobicContact CG1-CD2 4.36Å; I359-L427 HydrophobicContact CG2-CD2 3.93Å; T362-L427 HydrophobicContact CG2-CB 3.66Å; T362-L427 HydrophobicContact CG2-CD1 3.97Å; T362-L427 HydrophobicContact CG2-CG 4.48Å; I363-L427 HydrophobicContact CD1-CD2 4.24Å; I363-L427 HydrophobicContact CG1-CD2 4.34Å; L402-L427 HydrophobicContact CD2-CD2 4.13Å; Y412-L427 HydrophobicContact CD2-CD2 3.62Å; Y412-L427 HydrophobicContact CD2-CG 3.97Å; Y412-L427 HydrophobicContact CE1-CD2 4.38Å; Y412-L427 HydrophobicContact CE2-CD1 4.11Å; Y412-L427 HydrophobicContact CE2-CD2 3.42Å; Y412-L427 VanDerWaalsContact CE2-CD2 3.42Å; Y412-L427 HydrophobicContact CE2-CG 3.5Å; Y412-L427 VanDerWaalsContact CE2-CG 3.5Å; Y412-L427 HydrophobicContact CG-CD2 4.21Å; L427-A430 PolarHBondContact O-N 3.23Å; L427-R431 WeakPolarHBondContact O-CB 3.15Å; L427-R431 PolarHBondContact O-N 3.08Å
428	E	93.5	Very high	94.3	Very high	92 Å²	92	46.2 Å²	46.2	43%	0.43	24%	0.237	S	C	.	.	H	α-helix	trans	-68.2	-40.5	177.7	-76.8	-64.1	177.7	0	0	113.1	T426 R431 S432	T426-E428 PolarHBondContact O-N 3.37Å; E428-R431 PolarHBondContact O-N 3.03Å; E428-R431 IonicContact OE1-CZ 3.95Å; E428-R431 VanDerWaalsContact OE1-CZ 3.31Å; E428-R431 IonicContact OE1-NE 3.99Å; E428-R431 IonicContact OE1-NH1 3.93Å; E428-R431 IonicContact OE1-NH2 3.54Å; E428-R431 PolarHBondContact OE1-NH2 2.59Å; E428-R431 IonicContact OE2-CZ 3.23Å; E428-R431 IonicContact OE2-NE 3.83Å; E428-R431 PolarHBondContact OE2-NE 2.91Å; E428-R431 IonicContact OE2-NH1 2.71Å; E428-R431 IonicContact OE2-NH2 2.78Å; E428-R431 PolarHBondContact OE2-NH2 3.21Å; E428-S432 PolarHBondContact O-N 3.12Å
429	Q	95.4	Very high	94	Very high	67 Å²	67	48 Å²	48	31%	0.313	25%	0.254	S	S	.	.	H	α-helix	trans	-67.2	-41.3	173.2	-73.2	162.2	-35.6	0	0	111	A425 T426 R431 S432 A433 F440	A425-Q429 HydrophobicContact CB-CB 4.14Å; T426-Q429 PolarHBondContact O-N 3.21Å; T426-Q429 WeakPolarHBondContact OG1-CG 3.43Å; T426-Q429 PolarHBondContact OG1-N 3.35Å; T426-Q429 PolarHBondContact OG1-OE1 3.37Å; Q429-R431 PolarHBondContact O-N 3.4Å; Q429-S432 WeakPolarHBondContact O-CB 3.49Å; Q429-S432 PolarHBondContact O-N 2.8Å; Q429-A433 PolarHBondContact O-N 3.32Å; Q429-F440 HydrophobicContact CB-CZ 4.19Å; Q429-F440 WeakPolarHBondContact O-CE2 3.38Å
430	A	94.9	Very high	93.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-41.8	174.3	0	0	0	0	0	112.2	L402 L414 T426 L427 S432 A433 F434	L402-A430 HydrophobicContact CD1-CB 3.81Å; L402-A430 HydrophobicContact CD2-CB 4.03Å; L402-A430 HydrophobicContact CG-CB 4.4Å; L414-A430 HydrophobicContact CD1-CB 4.29Å; T426-A430 PolarHBondContact O-N 3.41Å; L427-A430 PolarHBondContact O-N 3.23Å; A430-S432 VanDerWaalsContact C-N 3.35Å; A430-S432 PolarHBondContact O-N 3.32Å; A430-A433 WeakPolarHBondContact O-CB 3.42Å; A430-A433 PolarHBondContact O-N 3.41Å; A430-F434 WeakPolarHBondContact O-CD1 3.4Å; A430-F434 WeakPolarHBondContact O-CG 3.24Å; A430-F434 PolarHBondContact O-N 2.85Å
431	R	93.2	Very high	94	Very high	74 Å²	74	40.3 Å²	40.3	28%	0.279	22%	0.218	S	C	.	.	H	α-helix	trans	-59.1	-45	172.4	177.8	170.7	74.1	175.7	8.2	111.9	T362 I363 Q364 L427 E428 Q429 A433 F434 N435	T362-R431 VanDerWaalsContact O-CD 3.28Å; T362-R431 WeakPolarHBondContact O-CD 3.48Å; T362-R431 PolarHBondContact O-NH1 3.44Å; I363-R431 WeakPolarHBondContact O-CG 3.12Å; Q364-R431 WeakPolarHBondContact O-CD 3.32Å; L427-R431 WeakPolarHBondContact O-CB 3.15Å; L427-R431 PolarHBondContact O-N 3.08Å; E428-R431 PolarHBondContact O-N 3.03Å; E428-R431 IonicContact OE1-CZ 3.95Å; E428-R431 VanDerWaalsContact OE1-CZ 3.31Å; E428-R431 IonicContact OE1-NE 3.99Å; E428-R431 IonicContact OE1-NH1 3.93Å; E428-R431 IonicContact OE1-NH2 3.54Å; E428-R431 PolarHBondContact OE1-NH2 2.59Å; E428-R431 IonicContact OE2-CZ 3.23Å; E428-R431 IonicContact OE2-NE 3.83Å; E428-R431 PolarHBondContact OE2-NE 2.91Å; E428-R431 IonicContact OE2-NH1 2.71Å; E428-R431 IonicContact OE2-NH2 2.78Å; E428-R431 PolarHBondContact OE2-NH2 3.21Å; Q429-R431 PolarHBondContact O-N 3.4Å; R431-A433 VanDerWaalsContact C-N 3.32Å; R431-A433 PolarHBondContact O-N 2.98Å; R431-F434 PolarHBondContact O-N 2.81Å; R431-N435 WeakPolarHBondContact O-CB 3.43Å; R431-N435 VanDerWaalsContact O-CG 3.26Å; R431-N435 PolarHBondContact O-N 2.86Å; R431-N435 PolarHBondContact O-ND2 2.99Å
432	S	92.8	Very high	93.9	Very high	49 Å²	49	37.3 Å²	37.3	34%	0.343	21%	0.207	S	C	.	.	H	α-helix	trans	-60.9	-42.8	177.4	-170.2	0	0	0	0	111.7	E428 Q429 A430 N435 N436	E428-S432 PolarHBondContact O-N 3.12Å; Q429-S432 WeakPolarHBondContact O-CB 3.49Å; Q429-S432 PolarHBondContact O-N 2.8Å; A430-S432 VanDerWaalsContact C-N 3.35Å; A430-S432 PolarHBondContact O-N 3.32Å; S432-N435 PolarHBondContact O-N 2.92Å; S432-N436 PolarHBondContact O-N 2.9Å
433	A	94	Very high	93.7	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.8	-47.2	173.5	0	0	0	0	0	112	W400 L414 Q429 A430 R431 N435 N436 P437 F440	W400-A433 HydrophobicContact CD2-CB 3.85Å; W400-A433 HydrophobicContact CE3-CB 4.22Å; W400-A433 HydrophobicContact CG-CB 4.01Å; L414-A433 HydrophobicContact CD2-CB 4.05Å; Q429-A433 PolarHBondContact O-N 3.32Å; A430-A433 WeakPolarHBondContact O-CB 3.42Å; A430-A433 PolarHBondContact O-N 3.41Å; R431-A433 VanDerWaalsContact C-N 3.32Å; R431-A433 PolarHBondContact O-N 2.98Å; A433-N435 VanDerWaalsContact C-N 3.31Å; A433-N435 PolarHBondContact O-N 3.2Å; A433-N436 CarbonylContact O-C 3.57Å; A433-N436 PolarHBondContact O-N 3.07Å; A433-P437 WeakPolarHBondContact O-CA 3.46Å; A433-P437 WeakPolarHBondContact O-CB 3.3Å; A433-F440 HydrophobicContact CB-CB 4.2Å; A433-F440 HydrophobicContact CB-CD1 3.51Å; A433-F440 HydrophobicContact CB-CD2 4.16Å; A433-F440 HydrophobicContact CB-CE1 3.82Å; A433-F440 HydrophobicContact CB-CE2 4.44Å; A433-F440 HydrophobicContact CB-CG 3.69Å; A433-F440 HydrophobicContact CB-CZ 4.28Å
434	F	92.8	Very high	93.5	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.009	26%	0.259	C	S	.	.	H	α-helix	trans	-69.9	-27.4	179.6	-66.9	-0.6	0	0	0	113.3	S337 I340 I363 I376 W400 L402 L414 A430 R431	S337-F434 WeakPolarHBondContact CB-O 3.44Å; S337-F434 PolarHBondContact OG-O 3.23Å; I340-F434 HydrophobicContact CD1-CE2 4.37Å; I340-F434 HydrophobicContact CG1-CE2 3.81Å; I340-F434 HydrophobicContact CG1-CZ 4.32Å; I363-F434 HydrophobicContact CG2-CD2 3.65Å; I363-F434 HydrophobicContact CG2-CE2 3.96Å; I376-F434 HydrophobicContact CD1-CB 4.29Å; I376-F434 HydrophobicContact CD1-CD2 3.85Å; I376-F434 HydrophobicContact CG1-CB 4.34Å; I376-F434 HydrophobicContact CG1-CD2 3.92Å; I376-F434 HydrophobicContact CG1-CG 4.47Å; I376-F434 HydrophobicContact CG2-CD2 3.95Å; I376-F434 HydrophobicContact CG2-CE2 3.88Å; W400-F434 HydrophobicContact CB-CD1 3.72Å; W400-F434 HydrophobicContact CB-CE1 3.52Å; W400-F434 HydrophobicContact CG-CD1 4.48Å; L402-F434 HydrophobicContact CB-CE2 4.48Å; L402-F434 HydrophobicContact CB-CZ 3.76Å; L414-F434 HydrophobicContact CD1-CE1 4.33Å; A430-F434 WeakPolarHBondContact O-CD1 3.4Å; A430-F434 WeakPolarHBondContact O-CG 3.24Å; A430-F434 PolarHBondContact O-N 2.85Å; R431-F434 PolarHBondContact O-N 2.81Å
435	N	89.9	Confident	93.5	Very high	27 Å²	27	43.7 Å²	43.7	14%	0.144	25%	0.252	C	S	.	.	H	α-helix	trans	-79.1	-34.9	177.3	-78.3	-17.9	0	0	0	113.1	S365 K371 R431 S432 A433 P437	S365-N435 WeakPolarHBondContact CB-ND2 3.16Å; S365-N435 VanDerWaalsContact CB-OD1 3.23Å; S365-N435 WeakPolarHBondContact CB-OD1 3.47Å; S365-N435 PolarHBondContact OG-ND2 3.36Å; S365-N435 PolarHBondContact OG-OD1 3.17Å; K371-N435 WeakPolarHBondContact CE-OD1 3.31Å; K371-N435 PolarHBondContact NZ-OD1 3.24Å; R431-N435 WeakPolarHBondContact O-CB 3.43Å; R431-N435 VanDerWaalsContact O-CG 3.26Å; R431-N435 PolarHBondContact O-N 2.86Å; R431-N435 PolarHBondContact O-ND2 2.99Å; S432-N435 PolarHBondContact O-N 2.92Å; A433-N435 VanDerWaalsContact C-N 3.31Å; A433-N435 PolarHBondContact O-N 3.2Å; N435-P437 VanDerWaalsContact C-CD 3.48Å
436	N	90.5	Very high	93.4	Very high	68 Å²	68	47.6 Å²	47.6	36%	0.364	28%	0.277	S	S	.	.	S	Bend	trans	-131.2	60.1	-176.9	-59.1	-73.1	0	0	0	110.4	S432 A433 A438 V439 F440	S432-N436 PolarHBondContact O-N 2.9Å; A433-N436 CarbonylContact O-C 3.57Å; A433-N436 PolarHBondContact O-N 3.07Å; N436-A438 PolarHBondContact O-N 2.57Å; N436-A438 VanDerWaalsContact O-N 3.1Å; N436-V439 HydrophobicContact CB-CB 4.29Å; N436-V439 PolarHBondContact O-N 3.46Å; N436-F440 PolarHBondContact O-N 3.21Å
437	P	92	Very high	93.4	Very high	26 Å²	26	48.1 Å²	48.1	17%	0.169	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.7	-166.5	26.7	-38.1	0	0	0	113.7	V331 P399 W400 A433 N435	V331-P437 VanDerWaalsContact CG1-C 3.41Å; V331-P437 HydrophobicContact CG1-CB 3.68Å; V331-P437 HydrophobicContact CG1-CG 4.04Å; P399-P437 HydrophobicContact CB-CB 4.4Å; W400-P437 PolarHBondContact NE1-O 2.79Å; A433-P437 WeakPolarHBondContact O-CA 3.46Å; A433-P437 WeakPolarHBondContact O-CB 3.3Å; N435-P437 VanDerWaalsContact C-CD 3.48Å
438	A	91.4	Very high	93.3	Very high	41 Å²	41	48.8 Å²	48.8	34%	0.339	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-13.6	178.7	0	0	0	0	0	114.1	V331 R332 N436	V331-A438 HydrophobicContact CB-CB 3.98Å; V331-A438 HydrophobicContact CG1-CB 3.82Å; R332-A438 HydrophobicContact CG-CB 4.29Å; N436-A438 PolarHBondContact O-N 2.57Å; N436-A438 VanDerWaalsContact O-N 3.1Å
439	V	91.7	Very high	92.7	Very high	99 Å²	99	50.6 Å²	50.6	60%	0.6	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	-27.7	-171.9	-177.1	0	0	0	0	112	N436 D441	N436-V439 HydrophobicContact CB-CB 4.29Å; N436-V439 PolarHBondContact O-N 3.46Å; V439-D441 PolarHBondContact O-N 3.26Å
440	F	93.8	Very high	91	Very high	31 Å²	31	51.5 Å²	51.5	14%	0.136	31%	0.305	C	S	.	.			trans	-59.4	121.9	-178.8	-177.9	-96.9	0	0	0	111.5	W400 L414 Q429 A433 N436 A442 L445	W400-F440 AromaticContact CH2-CD1 3.65Å; W400-F440 HydrophobicContact CH2-CD1 3.65Å; W400-F440 HydrophobicContact CH2-CE1 4.14Å; W400-F440 HydrophobicContact CZ2-CB 4.36Å; W400-F440 AromaticContact CZ2-CD1 3.69Å; W400-F440 HydrophobicContact CZ2-CD1 3.69Å; W400-F440 HydrophobicContact CZ3-CD1 4.2Å; W400-F440 HydrophobicContact CZ3-CE1 4.34Å; L414-F440 HydrophobicContact CD2-CE1 3.98Å; L414-F440 HydrophobicContact CD2-CZ 4.41Å; Q429-F440 HydrophobicContact CB-CZ 4.19Å; Q429-F440 WeakPolarHBondContact O-CE2 3.38Å; A433-F440 HydrophobicContact CB-CB 4.2Å; A433-F440 HydrophobicContact CB-CD1 3.51Å; A433-F440 HydrophobicContact CB-CD2 4.16Å; A433-F440 HydrophobicContact CB-CE1 3.82Å; A433-F440 HydrophobicContact CB-CE2 4.44Å; A433-F440 HydrophobicContact CB-CG 3.69Å; A433-F440 HydrophobicContact CB-CZ 4.28Å; N436-F440 PolarHBondContact O-N 3.21Å; F440-A442 HydrophobicContact CE1-CB 3.98Å; F440-A442 HydrophobicContact CD1-CB 4.45Å; F440-L445 HydrophobicContact CE1-CD1 4.23Å; F440-L445 HydrophobicContact CZ-CD1 4.07Å
441	D	94.2	Very high	88.3	Confident	83 Å²	83	60 Å²	60	44%	0.444	34%	0.344	S	S	.	.			trans	-103.1	105.9	178.5	-175	20.7	0	0	0	111.4	K419 V439 S443	K419-D441 IonicContact NZ-OD1 3.88Å; V439-D441 PolarHBondContact O-N 3.26Å; D441-S443 VanDerWaalsContact C-N 3.26Å; D441-S443 PolarHBondContact O-N 2.92Å; D441-S443 WeakPolarHBondContact OD1-CB 3.36Å; D441-S443 PolarHBondContact OD1-N 2.96Å; D441-S443 PolarHBondContact OD1-OG 2.85Å; D441-S443 WeakPolarHBondContact OD2-CB 3.37Å; D441-S443 PolarHBondContact OD2-OG 3.31Å
442	A	93.8	Very high	85.7	Confident	3 Å²	3	63 Å²	63	3%	0.025	37%	0.366	C	S	.	.			trans	-78.7	-2	174.2	0	0	0	0	0	113.4	W400 R421 F440 S444 L445	W400-A442 HydrophobicContact CH2-CB 3.82Å; W400-A442 HydrophobicContact CZ3-CB 4.08Å; R421-A442 PolarHBondContact NH1-O 2.89Å; R421-A442 PolarHBondContact NH2-O 2.91Å; F440-A442 HydrophobicContact CE1-CB 3.98Å; F440-A442 HydrophobicContact CD1-CB 4.45Å; A442-S444 PolarHBondContact O-N 3.45Å; A442-S444 VanDerWaalsContact O-N 3.14Å; A442-L445 HydrophobicContact CB-CD1 4.11Å; A442-L445 WeakPolarHBondContact O-CB 3.42Å; A442-L445 PolarHBondContact O-N 3.43Å
443	S	92.4	Very high	83.1	Confident	69 Å²	69	69.9 Å²	69.9	48%	0.483	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-44	-174.7	68.8	0	0	0	0	113	R421 D441 L445	R421-S443 PolarHBondContact NH2-O 3.43Å; D441-S443 VanDerWaalsContact C-N 3.26Å; D441-S443 PolarHBondContact O-N 2.92Å; D441-S443 WeakPolarHBondContact OD1-CB 3.36Å; D441-S443 PolarHBondContact OD1-N 2.96Å; D441-S443 PolarHBondContact OD1-OG 2.85Å; D441-S443 WeakPolarHBondContact OD2-CB 3.37Å; D441-S443 PolarHBondContact OD2-OG 3.31Å; S443-L445 VanDerWaalsContact C-N 3.34Å; S443-L445 PolarHBondContact O-N 2.71Å
444	S	93.7	Very high	80.7	Confident	104 Å²	104	75.7 Å²	75.7	73%	0.727	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-13.7	-178.8	62	0	0	0	0	115.3	A442	A442-S444 PolarHBondContact O-N 3.45Å; A442-S444 VanDerWaalsContact O-N 3.14Å
445	L	96	Very high	77.8	Confident	13 Å²	13	83.2 Å²	83.2	7%	0.068	45%	0.454	C	S	.	.	S	Bend	trans	-76.5	142.2	-178.9	-60.3	-178.3	0	0	0	111.5	R421 C423 A425 F440 A442 S443	R421-L445 PolarHBondContact NH2-O 3.14Å; C423-L445 HydrophobicContact CB-CB 3.71Å; C423-L445 HydrophobicContact CB-CD1 4.34Å; C423-L445 VanDerWaalsContact SG-CD1 3.58Å; A425-L445 HydrophobicContact CB-CD1 4.22Å; F440-L445 HydrophobicContact CE1-CD1 4.23Å; F440-L445 HydrophobicContact CZ-CD1 4.07Å; A442-L445 HydrophobicContact CB-CD1 4.11Å; A442-L445 WeakPolarHBondContact O-CB 3.42Å; A442-L445 PolarHBondContact O-N 3.43Å; S443-L445 VanDerWaalsContact C-N 3.34Å; S443-L445 PolarHBondContact O-N 2.71Å
446	P	95.3	Very high	75.6	Confident	84 Å²	84	87.7 Å²	87.7	55%	0.545	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-58.9	141.8	175.3	-21.5	32.4	0	0	0	111.4	C423 V424	C423-P446 CarbonylContact C-O 3.48Å; C423-P446 WeakPolarHBondContact CA-O 3.16Å; C423-P446 WeakPolarHBondContact CB-O 3.34Å; V424-P446 HydrophobicContact CB-CB 4.32Å; V424-P446 HydrophobicContact CG2-CB 4.28Å; V424-P446 PolarHBondContact N-O 2.97Å
447	S	95.1	Very high	72.9	Confident	66 Å²	66	91.3 Å²	91.3	46%	0.462	50%	0.496	S	S	.	.	B	Isolated β-bridge	trans	-62.3	138.8	173.2	-63.3	0	0	0	0	110.8	N449	S447-N449 PolarHBondContact O-N 3.14Å; S447-N449 VanDerWaalsContact O-N 3.14Å
448	W	92	Very high	70.1	Confident	26 Å²	26	93.8 Å²	93.8	10%	0.098	53%	0.526	C	S	.	.			trans	-76.7	98.7	173.9	-174.4	-94.9	0	0	0	110	E413 S422 V424 N450	E413-W448 HydrophobicContact CB-CD2 3.53Å; E413-W448 HydrophobicContact CB-CE3 3.76Å; E413-W448 HydrophobicContact CB-CG 4.03Å; E413-W448 HydrophobicContact CB-CH2 4.15Å; E413-W448 HydrophobicContact CB-CZ2 3.88Å; E413-W448 HydrophobicContact CB-CZ3 4.08Å; E413-W448 VanDerWaalsContact CD-CD1 3.47Å; E413-W448 HydrophobicContact CG-CB 4.25Å; E413-W448 HydrophobicContact CG-CD2 3.72Å; E413-W448 HydrophobicContact CG-CE3 4.32Å; E413-W448 HydrophobicContact CG-CG 3.63Å; E413-W448 PolarHBondContact OE1-NE1 3.11Å; S422-W448 PolarHBondContact O-N 2.83Å; V424-W448 HydrophobicContact CB-CE3 4.19Å; V424-W448 HydrophobicContact CG1-CZ3 4.4Å; V424-W448 HydrophobicContact CG2-CE3 3.65Å; V424-W448 HydrophobicContact CG2-CZ3 4.17Å; W448-N450 PolarHBondContact NE1-ND2 3.48Å; W448-N450 PolarHBondContact O-N 2.83Å
449	N	81.3	Confident	67.1	Low	130 Å²	130	99 Å²	99	70%	0.695	55%	0.549	S	S	*	.			trans	-97.1	81	178.5	-69.6	-21.6	0	0	0	110.7	S447	S447-N449 PolarHBondContact O-N 3.14Å; S447-N449 VanDerWaalsContact O-N 3.14Å
450	N	59.3	Low	64	Low	87 Å²	87	103.6 Å²	103.6	47%	0.465	56%	0.561	S	S	.	*			trans	-92.9	102.3	161.4	-95.5	-14	0	0	0	109.2	W448 N452	W448-N450 PolarHBondContact NE1-ND2 3.48Å; W448-N450 PolarHBondContact O-N 2.83Å; N450-N452 PolarHBondContact O-N 3.25Å; N450-N452 VanDerWaalsContact O-N 3.13Å
451	H	39.7	Very low	61	Low	179 Å²	179	110.8 Å²	110.8	83%	0.829	60%	0.599	S	S	*	*			trans	-67.6	0.6	175.6	-98.1	-71.5	0	0	0	114.5
452	N	37.7	Very low	58.1	Low	137 Å²	137	116.7 Å²	116.7	73%	0.733	64%	0.638	S	S	*	*	S	Bend	trans	-118.5	122.6	175.2	-69.3	-28.5	0	0	0	109	N450	N450-N452 PolarHBondContact O-N 3.25Å; N450-N452 VanDerWaalsContact O-N 3.13Å
453	E	39.1	Very low	56.4	Low	192 Å²	192	122.4 Å²	122.4	90%	0.897	67%	0.669	S	S	*	*			trans	82.3	60	170.6	-50.5	-179.5	178.6	0	0	118.4
454	R	43.8	Very low	54.5	Low	122 Å²	122	125.2 Å²	125.2	46%	0.46	68%	0.679	S	S	.	*			trans	-135.1	90	154.8	-72.3	-170.9	-177.3	-167.8	2	112.4	E413 S422 I456	E413-R454 IonicContact OE1-CZ 3.74Å; E413-R454 IonicContact OE1-NH2 2.57Å; E413-R454 PolarHBondContact OE1-NH2 2.99Å; S422-R454 VanDerWaalsContact CB-NH2 3.28Å; S422-R454 PolarHBondContact OG-NH1 2.93Å; S422-R454 PolarHBondContact OG-NH2 2.92Å; R454-I456 HydrophobicContact CB-CD1 4.37Å; R454-I456 HydrophobicContact CB-CG1 4.29Å; R454-I456 HydrophobicContact CG-CD1 4.07Å; R454-I456 HydrophobicContact CG-CG1 4.39Å
455	N	30.8	Very low	52.3	Low	161 Å²	161	126.3 Å²	126.3	86%	0.861	68%	0.676	S	S	*	*			trans	-103.9	82	152.6	-111.7	-21.8	0	0	0	106.9	N457	N455-N457 VanDerWaalsContact C-N 3.28Å
456	I	43.5	Very low	49.7	Very low	121 Å²	121	133 Å²	133	62%	0.621	71%	0.712	S	S	*	*			trans	-81.5	-8.3	-178.7	-65.4	177.4	0	0	0	112	R454 G458	R454-I456 HydrophobicContact CB-CD1 4.37Å; R454-I456 HydrophobicContact CB-CG1 4.29Å; R454-I456 HydrophobicContact CG-CD1 4.07Å; R454-I456 HydrophobicContact CG-CG1 4.39Å; I456-G458 PolarHBondContact O-N 2.93Å
457	N	34.5	Very low	46.9	Very low	143 Å²	143	136.1 Å²	136.1	77%	0.765	72%	0.722	S	S	*	*			trans	-95.4	72.8	170.4	-73.9	-18.4	0	0	0	111.4	N455 N459	N455-N457 VanDerWaalsContact C-N 3.28Å; N457-N459 PolarHBondContact O-N 3.13Å
458	G	32.9	Very low	43.7	Very low	78 Å²	78	140.7 Å²	140.7	80%	0.804	74%	0.739	S	S	*	*			trans	-71.8	65.4	166.8	0	0	0	0	0	112.1	I456	I456-G458 PolarHBondContact O-N 2.93Å
459	N	28.3	Very low	40.2	Very low	151 Å²	151	148.9 Å²	148.9	81%	0.807	79%	0.785	S	S	*	*			trans	-90.6	99.6	164.7	-92.9	-6.7	0	0	0	108.6	N457	N457-N459 PolarHBondContact O-N 3.13Å
460	K	27.2	Very low	37	Very low	196 Å²	196	150.4 Å²	150.4	85%	0.852	79%	0.792	S	S	*	*			trans	-159.4	91.2	147.8	-103.6	177.1	-171.1	-173.4	0	107.3	V462	K460-V462 PolarHBondContact O-N 3.14Å
461	L	30	Very low	35.2	Very low	181 Å²	181	155.7 Å²	155.7	95%	0.948	82%	0.819	S	S	*	*			trans	-61.5	120.5	151.8	-77.8	157	0	0	0	105.7
462	V	34.8	Very low	34.8	Very low	207 Å²	207	153.5 Å²	153.5	100%	1.255	82%	0.818	S	S	*	*			trans	-83.5	0	161.1	176.4	0	0	0	0	107.3	K460	K460-V462 PolarHBondContact O-N 3.14Å

Retrieved 462 of 462 residues in 484.3 ms (Link to these results)

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