A0A077ZJ53_TRITR Loading...

Inosine-5'-monophosphate dehydrogenase

Catalyzes the conversion of inosine 5'-phosphate (IMP) to xanthosine 5'-phosphate (XMP), the first committed and rate-limiting step in the de novo synthesis of guanine nucleotides, and therefore plays an important role in the regulation of cell growth. Catalyzes the irreversible NADPH-dependent deamination of GMP to IMP. It functions in the conversion of nucleobase, nucleoside and nucleotide derivatives of G to A nucleotides, and in maintaining the intracellular balance of A and G nucleotides.

AlphaFold DB , UniProt , Accession A0A077ZJ53, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 488 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	74.7	Confident	92.8	Very high	234 Å²	234	110.5 Å²	110.5	100%	1.153	56%	0.563	S	S	*	*				0	130.7	0	-171.5	176.9	-83	0	0	107.9
2	L	86.6	Confident	93.2	Very high	148 Å²	148	105 Å²	105	78%	0.775	54%	0.537	S	S	*	.			trans	-68.7	134.3	178.7	-179.7	64.6	0	0	0	109.7	I4	L2-I4 PolarHBondContact O-N 3.42Å
3	R	91.4	Very high	93.6	Very high	243 Å²	243	101 Å²	101	92%	0.917	52%	0.517	S	S	*	.			trans	-95.8	84.6	177.6	-66	179.8	-67.9	-109.5	-0.4	109.4
4	I	92.5	Very high	94	Very high	133 Å²	133	94.1 Å²	94.1	68%	0.682	48%	0.482	S	S	*	.			trans	-106.8	125.7	175.2	-168.9	166.6	0	0	0	109.2	L2	L2-I4 PolarHBondContact O-N 3.42Å
5	A	90.7	Very high	94.3	Very high	108 Å²	108	91.6 Å²	91.6	89%	0.893	47%	0.47	S	S	*	.			trans	-81.4	-52.8	-176.1	0	0	0	0	0	112.1
6	K	93.7	Very high	94.6	Very high	110 Å²	110	87.8 Å²	87.8	48%	0.478	45%	0.45	S	S	.	.			trans	-166.9	168.5	178.3	60.3	179.8	177.6	-176.1	0	111.1	D323	K6-D323 VanDerWaalsContact CE-OD2 3.23Å; K6-D323 WeakPolarHBondContact CE-OD2 3.39Å; K6-D323 IonicContact NZ-OD1 2.72Å; K6-D323 PolarHBondContact NZ-OD1 3Å; K6-D323 IonicContact NZ-OD2 3.71Å; K6-D323 PolarHBondContact NZ-OD2 3.04Å
7	E	96.9	Very high	94.8	Very high	128 Å²	128	85.6 Å²	85.6	60%	0.598	44%	0.442	S	S	*	.			trans	-75.5	140.3	163.3	-171.7	170.3	-149.4	0	0	110	R461	E7-R461 IonicContact OE1-CZ 2.85Å; E7-R461 IonicContact OE1-NH1 2.8Å; E7-R461 PolarHBondContact OE1-NH1 2.96Å; E7-R461 IonicContact OE1-NH2 2.74Å; E7-R461 PolarHBondContact OE1-NH2 3Å; E7-R461 IonicContact OE2-CZ 3.21Å; E7-R461 IonicContact OE2-NH1 2.67Å; E7-R461 PolarHBondContact OE2-NH1 2.89Å; E7-R461 IonicContact OE2-NH2 3.71Å
8	A	98.1	Very high	95	Very high	28 Å²	28	86.2 Å²	86.2	23%	0.231	45%	0.452	C	S	.	.			trans	-130.8	143.9	-177.5	0	0	0	0	0	110.4	V315 P316 T319	A8-V315 HydrophobicContact CB-CG1 4.35Å; A8-P316 HydrophobicContact CB-CB 4.06Å; A8-P316 HydrophobicContact CB-CG 3.72Å; A8-T319 WeakPolarHBondContact CA-OG1 3.31Å; A8-T319 HydrophobicContact CB-CG2 3.83Å
9	L	98.5	Very high	95.2	Very high	37 Å²	37	84.7 Å²	84.7	19%	0.194	45%	0.453	C	S	.	.			trans	-117.6	148.8	-169	-55.3	179.8	0	0	0	111.8	D13 V14 P316 I318 T319	L9-D13 WeakPolarHBondContact CA-OD2 3.49Å; L9-D13 HydrophobicContact CB-CB 4.06Å; L9-D13 HydrophobicContact CD2-CB 3.94Å; L9-D13 HydrophobicContact CG-CB 4.47Å; L9-V14 HydrophobicContact CB-CG1 4.46Å; L9-V14 HydrophobicContact CD1-CG1 3.87Å; L9-P316 CarbonylContact O-C 3.53Å; L9-P316 WeakPolarHBondContact O-CB 3.08Å; L9-I318 WeakPolarHBondContact O-CB 3.45Å; L9-I318 PolarHBondContact O-N 3.25Å; L9-T319 PolarHBondContact N-OG1 3.41Å; L9-T319 PolarHBondContact O-N 2.73Å
10	T	98.6	Very high	95.3	Very high	43 Å²	43	89 Å²	89	26%	0.264	47%	0.47	S	S	.	.			trans	-114.6	-178.1	171.9	-161.9	0	0	0	0	111.2	D12 D13	T10-D12 VanDerWaalsContact C-N 3.27Å; T10-D12 PolarHBondContact O-N 3.27Å; T10-D13 WeakPolarHBondContact CG2-OD2 3.32Å; T10-D13 PolarHBondContact N-OD2 3.33Å; T10-D13 PolarHBondContact O-N 3.47Å; T10-D13 VanDerWaalsContact O-N 3.14Å
11	F	98.4	Very high	95.4	Very high	3 Å²	3	86.8 Å²	86.8	1%	0.013	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-55.2	-37.4	-176.3	-58.8	-68.7	0	0	0	114.3	D13 Q317 I318 I341 D346 K349 A350	F11-D13 VanDerWaalsContact C-N 3.33Å; F11-Q317 HydrophobicContact CE2-CB 3.86Å; F11-Q317 HydrophobicContact CE2-CG 3.81Å; F11-Q317 HydrophobicContact CZ-CB 4.05Å; F11-Q317 HydrophobicContact CZ-CG 3.63Å; F11-I318 HydrophobicContact CD1-CD1 3.61Å; F11-I318 HydrophobicContact CD1-CG1 3.84Å; F11-I318 HydrophobicContact CE1-CD1 3.62Å; F11-I318 HydrophobicContact CE1-CG1 4.1Å; F11-I318 HydrophobicContact CG-CG1 4.41Å; F11-I341 HydrophobicContact CE1-CD1 3.8Å; F11-I341 HydrophobicContact CE2-CD1 4.08Å; F11-I341 HydrophobicContact CZ-CD1 3.43Å; F11-I341 VanDerWaalsContact CZ-CD1 3.43Å; F11-D346 WeakPolarHBondContact CB-OD1 3.25Å; F11-D346 HydrophobicContact CD1-CB 3.97Å; F11-D346 HydrophobicContact CE1-CB 4.31Å; F11-D346 WeakPolarHBondContact CE1-O 3.17Å; F11-D346 HydrophobicContact CG-CB 4.1Å; F11-K349 HydrophobicContact CB-CD 4.42Å; F11-K349 HydrophobicContact CD1-CB 4.08Å; F11-K349 WeakPolarHBondContact O-CD 3.29Å; F11-K349 PolarHBondContact O-NZ 3.24Å; F11-A350 HydrophobicContact CE1-CB 3.99Å; F11-A350 HydrophobicContact CZ-CB 4.49Å
12	D	98.2	Very high	96.5	Very high	45 Å²	45	81.7 Å²	81.7	24%	0.241	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-80.5	-11.5	-177.1	-71.3	-18.9	0	0	0	113.8	T10 V14 R342 I467	T10-D12 VanDerWaalsContact C-N 3.27Å; T10-D12 PolarHBondContact O-N 3.27Å; D12-V14 VanDerWaalsContact C-N 3.31Å; D12-R342 IonicContact OD1-CZ 3.37Å; D12-R342 IonicContact OD1-NH1 2.75Å; D12-R342 IonicContact OD1-NH2 3.39Å; D12-R342 PolarHBondContact OD1-NH2 2.9Å; D12-R342 IonicContact OD2-CZ 3.66Å; D12-R342 IonicContact OD2-NH1 3.92Å; D12-R342 PolarHBondContact OD2-NH1 3.28Å; D12-R342 IonicContact OD2-NH2 2.65Å; D12-R342 PolarHBondContact OD2-NH2 3.33Å; D12-R342 VanDerWaalsContact OD2-NH2 3.15Å; D12-I467 HydrophobicContact CB-CD1 4.04Å; D12-I467 HydrophobicContact CB-CG1 4.06Å
13	D	98.5	Very high	97	Very high	53 Å²	53	75.6 Å²	75.6	28%	0.283	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-84.7	-8.9	178	-59.2	-49.2	0	0	0	112.6	L9 T10 F11 R461 I462	L9-D13 WeakPolarHBondContact CA-OD2 3.49Å; L9-D13 HydrophobicContact CB-CB 4.06Å; L9-D13 HydrophobicContact CD2-CB 3.94Å; L9-D13 HydrophobicContact CG-CB 4.47Å; T10-D13 WeakPolarHBondContact CG2-OD2 3.32Å; T10-D13 PolarHBondContact N-OD2 3.33Å; T10-D13 PolarHBondContact O-N 3.47Å; T10-D13 VanDerWaalsContact O-N 3.14Å; F11-D13 VanDerWaalsContact C-N 3.33Å; D13-R461 WeakPolarHBondContact O-CA 3.38Å; D13-I462 PolarHBondContact O-N 3.29Å
14	V	98.7	Very high	97.2	Very high	5 Å²	5	69.3 Å²	69.3	3%	0.03	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	149.5	-170.5	-59.9	0	0	0	0	113.4	L9 D12 I318 K349 F459 V460	L9-V14 HydrophobicContact CB-CG1 4.46Å; L9-V14 HydrophobicContact CD1-CG1 3.87Å; D12-V14 VanDerWaalsContact C-N 3.31Å; V14-I318 HydrophobicContact CG2-CG1 4.35Å; V14-K349 HydrophobicContact CG2-CD 4.37Å; V14-K349 WeakPolarHBondContact O-CE 3.4Å; V14-K349 PolarHBondContact O-NZ 3.2Å; V14-F459 HydrophobicContact CB-CB 4.43Å; V14-F459 HydrophobicContact CB-CD1 3.84Å; V14-F459 HydrophobicContact CB-CG 4.42Å; V14-F459 HydrophobicContact CG2-CD1 3.75Å; V14-F459 HydrophobicContact CG2-CE1 3.94Å; V14-V460 WeakPolarHBondContact CA-O 3.45Å
15	L	98.8	Very high	97.4	Very high	56 Å²	56	65.6 Å²	65.6	29%	0.293	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	154.2	165.3	-67.7	175.5	0	0	0	110.1	F459 V460 I462	L15-F459 CarbonylContact O-C 3.58Å; L15-F459 VanDerWaalsContact O-CA 3.27Å; L15-F459 WeakPolarHBondContact O-CA 3.4Å; L15-V460 HydrophobicContact CB-CG1 4.09Å; L15-V460 PolarHBondContact N-O 3.32Å; L15-V460 PolarHBondContact O-N 2.97Å; L15-I462 HydrophobicContact CD1-CD1 4.28Å; L15-I462 HydrophobicContact CD1-CG2 3.97Å; L15-I462 HydrophobicContact CG-CD1 4.04Å; L15-I462 HydrophobicContact CG-CG2 4.1Å
16	L	98.8	Very high	97.7	Very high	30 Å²	30	66.5 Å²	66.5	16%	0.157	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	137.9	171.6	-74	167.2	0	0	0	110.3	A348 A352 C441 T445 A457 E458 F459	L16-A348 HydrophobicContact CD1-CB 4.15Å; L16-A352 HydrophobicContact CD1-CB 4.21Å; L16-A352 HydrophobicContact CD2-CB 3.51Å; L16-A352 HydrophobicContact CG-CB 4.47Å; L16-C441 WeakPolarHBondContact CD1-SG 3.47Å; L16-T445 HydrophobicContact CB-CG2 4.33Å; L16-A457 HydrophobicContact CD2-CB 4.12Å; L16-E458 WeakPolarHBondContact CA-O 3.21Å; L16-F459 HydrophobicContact CD2-CD1 3.7Å; L16-F459 HydrophobicContact CD2-CD2 4.39Å; L16-F459 HydrophobicContact CD2-CE1 3.39Å; L16-F459 HydrophobicContact CD2-CE2 4.13Å; L16-F459 HydrophobicContact CD2-CG 4.2Å; L16-F459 HydrophobicContact CD2-CZ 3.63Å; L16-F459 HydrophobicContact CG-CD1 4.1Å; L16-F459 HydrophobicContact CG-CE1 3.73Å; L16-F459 HydrophobicContact CG-CZ 4.35Å
17	V	98.7	Very high	97.8	Very high	52 Å²	52	65.7 Å²	65.7	32%	0.315	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-82.7	125.7	178.2	-177.1	0	0	0	0	109	E458 V460	V17-E458 HydrophobicContact CB-CB 4.33Å; V17-E458 HydrophobicContact CG2-CB 4.35Å; V17-E458 PolarHBondContact N-O 3.08Å; V17-V460 HydrophobicContact CG2-CB 4.02Å; V17-V460 HydrophobicContact CG2-CG1 4.23Å
18	P	98.5	Very high	97.8	Very high	96 Å²	96	59.8 Å²	59.8	62%	0.623	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-60.7	144.8	171.7	-21.7	33	0	0	0	111.4	L444	P18-L444 WeakPolarHBondContact CA-O 3.33Å
19	A	98.3	Very high	97.8	Very high	57 Å²	57	61.7 Å²	61.7	47%	0.471	36%	0.355	S	S	.	.			trans	-131.2	168.2	-179.5	0	0	0	0	0	111.3	S21 L444	A19-S21 PolarHBondContact O-N 2.61Å; A19-L444 PolarHBondContact N-O 3.17Å
20	H	97.8	Very high	97.8	Very high	170 Å²	170	60 Å²	60	79%	0.787	35%	0.347	S	S	*	.			trans	-57.1	130.6	171.9	173.5	-85.2	0	0	0	110.2
21	S	97.5	Very high	97.8	Very high	44 Å²	44	58.7 Å²	58.7	31%	0.308	34%	0.339	S	S	.	.			trans	-136.3	131.2	-173	-177.9	0	0	0	0	112.6	A19 V23 G443 G446	A19-S21 PolarHBondContact O-N 2.61Å; S21-V23 PolarHBondContact OG-N 3.26Å; S21-V23 VanDerWaalsContact OG-N 3.08Å; S21-V23 PolarHBondContact OG-O 3.05Å; S21-G443 WeakPolarHBondContact CB-O 3.43Å; S21-G443 PolarHBondContact OG-O 3.42Å; S21-G446 VanDerWaalsContact CB-CA 3.48Å; S21-G446 WeakPolarHBondContact OG-CA 3.41Å
22	T	97	Very high	97.8	Very high	126 Å²	126	59.1 Å²	59.1	77%	0.773	34%	0.342	S	S	*	.			trans	-108.8	12.2	163.3	59.1	0	0	0	0	111.4
23	V	97.1	Very high	97.8	Very high	21 Å²	21	60.5 Å²	60.5	13%	0.127	35%	0.347	C	S	.	.			trans	-102.7	123.7	-174.6	178.9	0	0	0	0	109	S21 A28 G443	S21-V23 PolarHBondContact OG-N 3.26Å; S21-V23 VanDerWaalsContact OG-N 3.08Å; S21-V23 PolarHBondContact OG-O 3.05Å; V23-A28 HydrophobicContact CG1-CB 4.35Å; V23-G443 WeakPolarHBondContact O-CA 3.27Å
24	L	96.7	Very high	97.8	Very high	110 Å²	110	58 Å²	58	58%	0.576	33%	0.334	S	S	*	.			trans	-88.6	144.5	170.4	-60.5	179.2	0	0	0	109.7	N26 T27 A28	L24-N26 VanDerWaalsContact CB-OD1 3.32Å; L24-N26 WeakPolarHBondContact CB-OD1 3.45Å; L24-N26 PolarHBondContact O-N 3Å; L24-N26 VanDerWaalsContact O-N 3.13Å; L24-T27 HydrophobicContact CB-CG2 4.3Å; L24-T27 PolarHBondContact N-OG1 3.01Å; L24-T27 PolarHBondContact O-N 3.45Å; L24-T27 PolarHBondContact O-OG1 3.34Å; L24-A28 PolarHBondContact O-N 3.22Å
25	P	96.5	Very high	97.8	Very high	55 Å²	55	57.8 Å²	57.8	36%	0.357	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-53.9	-37.3	-178.2	-31.4	37.4	0	0	0	114.7	T27 A28 R439	P25-T27 VanDerWaalsContact C-N 3.29Å; P25-T27 PolarHBondContact O-N 2.93Å; P25-A28 PolarHBondContact O-N 3.19Å; P25-R439 WeakPolarHBondContact CA-O 3.22Å; P25-R439 HydrophobicContact CB-CB 4.05Å; P25-R439 WeakPolarHBondContact CB-O 3.35Å; P25-R439 VanDerWaalsContact O-CB 3.27Å; P25-R439 WeakPolarHBondContact O-CB 3.48Å; P25-R439 WeakPolarHBondContact O-CD 3.19Å; P25-R439 VanDerWaalsContact O-CG 3.3Å; P25-R439 WeakPolarHBondContact O-CG 3.47Å; P25-R439 PolarHBondContact O-NH1 2.87Å; P25-R439 VanDerWaalsContact O-NH1 3.16Å
26	N	95.6	Very high	97.6	Very high	127 Å²	127	61.6 Å²	61.6	68%	0.679	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-74	-15.8	179.1	63.8	-18.5	0	0	0	113.9	L24	L24-N26 VanDerWaalsContact CB-OD1 3.32Å; L24-N26 WeakPolarHBondContact CB-OD1 3.45Å; L24-N26 PolarHBondContact O-N 3Å; L24-N26 VanDerWaalsContact O-N 3.13Å
27	T	96.4	Very high	97.5	Very high	93 Å²	93	64.2 Å²	64.2	57%	0.571	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-97.3	-8.6	176.9	64.5	0	0	0	0	113.3	L24 P25	L24-T27 HydrophobicContact CB-CG2 4.3Å; L24-T27 PolarHBondContact N-OG1 3.01Å; L24-T27 PolarHBondContact O-N 3.45Å; L24-T27 PolarHBondContact O-OG1 3.34Å; P25-T27 VanDerWaalsContact C-N 3.29Å; P25-T27 PolarHBondContact O-N 2.93Å
28	A	97.7	Very high	97.5	Very high	4 Å²	4	61.9 Å²	61.9	3%	0.033	35%	0.35	C	S	.	.			trans	-62.2	135.7	178.9	0	0	0	0	0	112.4	V23 L24 P25 R439 M442	V23-A28 HydrophobicContact CG1-CB 4.35Å; L24-A28 PolarHBondContact O-N 3.22Å; P25-A28 PolarHBondContact O-N 3.19Å; A28-R439 HydrophobicContact CB-CG 4.34Å; A28-R439 PolarHBondContact O-NH1 3.12Å; A28-R439 PolarHBondContact O-NH2 3.45Å; A28-M442 HydrophobicContact CB-CB 4.14Å; A28-M442 HydrophobicContact CB-CE 3.78Å; A28-M442 HydrophobicContact CB-SD 3.99Å
29	D	98.4	Very high	97.4	Very high	68 Å²	68	63 Å²	63	36%	0.364	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-91.3	116.2	174.9	-177.1	8.1	0	0	0	110.4	S31 R39 G448 T449 I450	D29-S31 WeakPolarHBondContact OD1-CB 3.25Å; D29-S31 PolarHBondContact OD1-N 2.95Å; D29-S31 PolarHBondContact OD1-OG 3.03Å; D29-S31 PolarHBondContact OD2-OG 2.98Å; D29-R39 IonicContact OD2-NH2 2.95Å; D29-G448 PolarHBondContact N-O 2.82Å; D29-T449 HydrophobicContact CB-CG2 4.41Å; D29-I450 PolarHBondContact O-N 2.8Å
30	L	98.6	Very high	97.5	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.016	32%	0.319	C	S	.	.			trans	-89.8	-4.8	-178.9	-62	-175.8	0	0	0	113.4	N41 I42 P43 M435 L438 R439 M442 I450	L30-N41 CarbonylContact C-O 3.57Å; L30-I42 HydrophobicContact CB-CG2 4.44Å; L30-I42 HydrophobicContact CD1-CG2 4.24Å; L30-P43 WeakPolarHBondContact O-CD 3.39Å; L30-M435 HydrophobicContact CD1-CB 3.76Å; L30-M435 HydrophobicContact CD1-CG 4.06Å; L30-M435 HydrophobicContact CD1-SD 3.8Å; L30-L438 HydrophobicContact CD2-CD2 3.9Å; L30-L438 HydrophobicContact CD2-CG 4.03Å; L30-R439 HydrophobicContact CD1-CG 4.06Å; L30-R439 HydrophobicContact CD2-CG 3.95Å; L30-R439 HydrophobicContact CG-CG 4.22Å; L30-M442 HydrophobicContact CD2-SD 3.64Å; L30-I450 HydrophobicContact CD2-CD1 4.29Å; L30-I450 WeakPolarHBondContact O-CG1 3.45Å
31	S	98.4	Very high	97.5	Very high	15 Å²	15	54.8 Å²	54.8	11%	0.105	30%	0.295	C	S	.	.			trans	-70.1	145.2	-177	63.1	0	0	0	0	111.6	D29 R39 L40	D29-S31 WeakPolarHBondContact OD1-CB 3.25Å; D29-S31 PolarHBondContact OD1-N 2.95Å; D29-S31 PolarHBondContact OD1-OG 3.03Å; D29-S31 PolarHBondContact OD2-OG 2.98Å; S31-R39 PolarHBondContact OG-NE 3.3Å; S31-R39 PolarHBondContact OG-NH2 3.01Å; S31-L40 CarbonylContact C-O 3.53Å; S31-L40 WeakPolarHBondContact CA-O 3.48Å; S31-L40 VanDerWaalsContact CB-O 3.28Å; S31-L40 WeakPolarHBondContact CB-O 3.37Å
32	T	98.5	Very high	97.5	Very high	11 Å²	11	53.1 Å²	53.1	7%	0.067	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	163.8	-171.5	-172.4	0	0	0	0	110.8	R39 L40 P43 S356	T32-R39 WeakPolarHBondContact O-CA 3.34Å; T32-R39 WeakPolarHBondContact O-CG 3.46Å; T32-L40 HydrophobicContact CG2-CB 3.96Å; T32-L40 HydrophobicContact CG2-CD1 4.1Å; T32-L40 HydrophobicContact CG2-CG 4.44Å; T32-L40 PolarHBondContact N-O 2.76Å; T32-L40 PolarHBondContact O-N 2.83Å; T32-P43 HydrophobicContact CG2-CB 3.77Å; T32-S356 WeakPolarHBondContact CB-O 3.15Å; T32-S356 VanDerWaalsContact CG2-O 3.27Å; T32-S356 WeakPolarHBondContact CG2-O 3.16Å; T32-S356 PolarHBondContact OG1-O 3.18Å
33	Q	97.7	Very high	97.6	Very high	74 Å²	74	47.1 Å²	47.1	35%	0.346	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121	175.4	-63.4	-66.3	55.2	0	0	110.7	R39 S356	Q33-R39 VanDerWaalsContact OE1-CA 3.28Å; Q33-R39 VanDerWaalsContact OE1-CB 3.25Å; Q33-S356 VanDerWaalsContact O-CB 3.29Å; Q33-S356 WeakPolarHBondContact O-CB 3.35Å
34	L	98.6	Very high	97.7	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.24	C	C	.	.	S	Bend	trans	-79	-42.1	168.2	178.3	60.3	0	0	0	110.6	I38 L40 L45 I67 V244 I274 A294 P334 I336	L34-I38 HydrophobicContact CB-CB 4.37Å; L34-I38 HydrophobicContact CB-CG2 4.09Å; L34-I38 HydrophobicContact CD2-CG2 4.11Å; L34-I38 PolarHBondContact N-O 2.65Å; L34-L40 HydrophobicContact CB-CD1 4.06Å; L34-L40 HydrophobicContact CB-CD2 4.4Å; L34-L40 HydrophobicContact CB-CG 3.98Å; L34-L40 HydrophobicContact CD2-CD2 4.4Å; L34-L45 HydrophobicContact CD1-CD1 3.62Å; L34-L45 HydrophobicContact CD1-CD2 4.2Å; L34-L45 HydrophobicContact CD1-CG 4.45Å; L34-L45 HydrophobicContact CD2-CD2 4.17Å; L34-I67 HydrophobicContact CD2-CD1 3.91Å; L34-V244 HydrophobicContact CD2-CG1 4.29Å; L34-I274 HydrophobicContact CD1-CD1 4.12Å; L34-I274 HydrophobicContact CD2-CD1 4.36Å; L34-I274 HydrophobicContact CG-CD1 4.38Å; L34-A294 VanDerWaalsContact O-CB 3.24Å; L34-A294 WeakPolarHBondContact O-CB 3.42Å; L34-P334 WeakPolarHBondContact O-CB 3.31Å; L34-P334 WeakPolarHBondContact O-CG 3.41Å; L34-I336 HydrophobicContact CD1-CD1 3.58Å; L34-I336 HydrophobicContact CD1-CG1 3.98Å
35	T	98.2	Very high	97.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-137.9	-179.3	171.7	73.7	0	0	0	0	108.8	T37 I38 Q272 A294	T35-T37 PolarHBondContact O-N 2.74Å; T35-T37 PolarHBondContact OG1-N 3.41Å; T35-I38 PolarHBondContact N-O 2.62Å; T35-I38 PolarHBondContact OG1-N 3.39Å; T35-Q272 VanDerWaalsContact CB-OE1 3.25Å; T35-Q272 HydrophobicContact CG2-CB 4.15Å; T35-Q272 PolarHBondContact OG1-OE1 2.73Å; T35-A294 HydrophobicContact CG2-CB 4.25Å
36	K	94.8	Very high	97.9	Very high	137 Å²	137	38.3 Å²	38.3	60%	0.596	20%	0.196	S	C	*	.	S	Bend	trans	-57.6	-28.5	174.7	-69.4	-177.6	178.8	179.3	0	113.3	T331 G332	K36-T331 WeakPolarHBondContact CE-O 3.34Å; K36-T331 PolarHBondContact NZ-O 2.58Å; K36-G332 VanDerWaalsContact CE-O 3.26Å; K36-G332 WeakPolarHBondContact CE-O 3.41Å
37	T	96.1	Very high	98	Very high	85 Å²	85	32.4 Å²	32.4	52%	0.521	17%	0.165	S	C	.	.	S	Bend	trans	-112.3	-20.1	-176.3	59.3	0	0	0	0	113.9	T35 Q272	T35-T37 PolarHBondContact O-N 2.74Å; T35-T37 PolarHBondContact OG1-N 3.41Å; T37-Q272 WeakPolarHBondContact OG1-CG 3.22Å; T37-Q272 PolarHBondContact OG1-NE2 3.1Å; T37-Q272 PolarHBondContact OG1-OE1 3.16Å
38	I	98.2	Very high	98.1	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.015	14%	0.14	C	C	.	.			trans	-102	113.3	-178.7	-62.4	174.6	0	0	0	110.6	L34 T35 I67 D243 V244 Q272	L34-I38 HydrophobicContact CB-CB 4.37Å; L34-I38 HydrophobicContact CB-CG2 4.09Å; L34-I38 HydrophobicContact CD2-CG2 4.11Å; L34-I38 PolarHBondContact N-O 2.65Å; T35-I38 PolarHBondContact N-O 2.62Å; T35-I38 PolarHBondContact OG1-N 3.39Å; I38-I67 HydrophobicContact CG2-CD1 3.73Å; I38-D243 HydrophobicContact CD1-CB 4.3Å; I38-D243 WeakPolarHBondContact CD1-O 3.17Å; I38-V244 HydrophobicContact CD1-CB 3.84Å; I38-V244 HydrophobicContact CD1-CG1 4.45Å; I38-Q272 HydrophobicContact CD1-CB 3.76Å; I38-Q272 HydrophobicContact CD1-CG 3.62Å; I38-Q272 HydrophobicContact CG1-CG 4.04Å
39	R	98.2	Very high	98.1	Very high	118 Å²	118	28.8 Å²	28.8	45%	0.445	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	137.2	171	-167.6	178.8	-172.8	89	-7.5	111.3	D29 S31 T32 Q33 C211	D29-R39 IonicContact OD2-NH2 2.95Å; S31-R39 PolarHBondContact OG-NE 3.3Å; S31-R39 PolarHBondContact OG-NH2 3.01Å; T32-R39 WeakPolarHBondContact O-CA 3.34Å; T32-R39 WeakPolarHBondContact O-CG 3.46Å; Q33-R39 VanDerWaalsContact OE1-CA 3.28Å; Q33-R39 VanDerWaalsContact OE1-CB 3.25Å; R39-C211 PolarHBondContact O-SG 2.64Å; R39-C211 VanDerWaalsContact O-SG 3.36Å
40	L	98.6	Very high	98	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	150.6	167.7	-55	173.9	0	0	0	110	S31 T32 L34 I42 L45 I67 A357	S31-L40 CarbonylContact C-O 3.53Å; S31-L40 WeakPolarHBondContact CA-O 3.48Å; S31-L40 VanDerWaalsContact CB-O 3.28Å; S31-L40 WeakPolarHBondContact CB-O 3.37Å; T32-L40 HydrophobicContact CG2-CB 3.96Å; T32-L40 HydrophobicContact CG2-CD1 4.1Å; T32-L40 HydrophobicContact CG2-CG 4.44Å; T32-L40 PolarHBondContact N-O 2.76Å; T32-L40 PolarHBondContact O-N 2.83Å; L34-L40 HydrophobicContact CB-CD1 4.06Å; L34-L40 HydrophobicContact CB-CD2 4.4Å; L34-L40 HydrophobicContact CB-CG 3.98Å; L34-L40 HydrophobicContact CD2-CD2 4.4Å; L40-I42 VanDerWaalsContact CB-O 3.23Å; L40-I42 WeakPolarHBondContact CB-O 3.21Å; L40-L45 HydrophobicContact CD1-CD2 3.77Å; L40-L45 HydrophobicContact CD2-CD2 4.27Å; L40-I67 HydrophobicContact CD2-CB 4.14Å; L40-I67 HydrophobicContact CD2-CD1 3.51Å; L40-I67 HydrophobicContact CD2-CG1 3.5Å; L40-I67 VanDerWaalsContact CD2-CG1 3.5Å; L40-A357 HydrophobicContact CD1-CB 4.01Å
41	N	98.3	Very high	97.9	Very high	55 Å²	55	26.5 Å²	26.5	29%	0.294	13%	0.13	S	C	.	.	S	Bend	trans	-91.5	-16.5	172.4	-65.8	-35	0	0	0	112.4	L30 G65 N209 A210	L30-N41 CarbonylContact C-O 3.57Å; N41-G65 PolarHBondContact N-O 3.2Å; N41-N209 WeakPolarHBondContact CB-O 3.27Å; N41-N209 PolarHBondContact ND2-O 2.9Å; N41-A210 PolarHBondContact ND2-O 3.01Å; N41-A210 VanDerWaalsContact ND2-O 3.08Å
42	I	98.7	Very high	97.9	Very high	10 Å²	10	25.8 Å²	25.8	5%	0.051	13%	0.125	C	C	.	.	S	Bend	trans	-135.6	147.6	167	58.9	167.8	0	0	0	109.9	L30 L40 M44 L61 E64 G65 I431 M435	L30-I42 HydrophobicContact CB-CG2 4.44Å; L30-I42 HydrophobicContact CD1-CG2 4.24Å; L40-I42 VanDerWaalsContact CB-O 3.23Å; L40-I42 WeakPolarHBondContact CB-O 3.21Å; I42-M44 HydrophobicContact CD1-CB 4.19Å; I42-M44 HydrophobicContact CG1-CB 4.45Å; I42-M44 PolarHBondContact O-N 3.13Å; I42-L61 HydrophobicContact CD1-CD1 4.32Å; I42-E64 HydrophobicContact CD1-CB 4.45Å; I42-G65 VanDerWaalsContact CG1-C 3.41Å; I42-G65 PolarHBondContact N-O 3.16Å; I42-I431 HydrophobicContact CD1-CD1 4.4Å; I42-I431 HydrophobicContact CD1-CG2 3.56Å; I42-M435 HydrophobicContact CB-CG 4.34Å; I42-M435 HydrophobicContact CB-SD 3.7Å; I42-M435 HydrophobicContact CD1-CG 4.49Å; I42-M435 HydrophobicContact CG2-CG 3.97Å; I42-M435 HydrophobicContact CG2-SD 3.84Å
43	P	98.7	Very high	97.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-82.6	47.7	-174.3	35.3	-36	0	0	0	112.3	L30 T32 I351 A357 V358 L438 I450	L30-P43 WeakPolarHBondContact O-CD 3.39Å; T32-P43 HydrophobicContact CG2-CB 3.77Å; P43-I351 HydrophobicContact CB-CD1 3.89Å; P43-I351 HydrophobicContact CG-CD1 3.61Å; P43-A357 HydrophobicContact CB-CB 4.43Å; P43-A357 WeakPolarHBondContact O-CA 3.45Å; P43-V358 PolarHBondContact O-N 3.22Å; P43-L438 HydrophobicContact CG-CD2 3.5Å; P43-L438 VanDerWaalsContact CG-CD2 3.5Å; P43-I450 HydrophobicContact CG-CD1 4.06Å
44	M	98.8	Very high	97.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.1	-175.2	-170.7	176.3	-73.3	0	0	112.9	I42 G66 I67 I347 V360 M363 L364 I431 Q434 M435	I42-M44 HydrophobicContact CD1-CB 4.19Å; I42-M44 HydrophobicContact CG1-CB 4.45Å; I42-M44 PolarHBondContact O-N 3.13Å; M44-G66 WeakPolarHBondContact O-CA 3.33Å; M44-I67 PolarHBondContact O-N 2.94Å; M44-I347 HydrophobicContact CE-CD1 3.68Å; M44-V360 HydrophobicContact CG-CG2 3.97Å; M44-V360 HydrophobicContact SD-CG2 3.95Å; M44-M363 HydrophobicContact CE-SD 4.12Å; M44-L364 HydrophobicContact SD-CD1 4.49Å; M44-I431 HydrophobicContact CE-CD1 4.22Å; M44-I431 HydrophobicContact SD-CD1 3.17Å; M44-I431 WeakPolarHBondContact SD-CD1 3.28Å; M44-Q434 HydrophobicContact CE-CB 3.94Å; M44-Q434 HydrophobicContact CE-CG 4.11Å; M44-M435 HydrophobicContact CE-CE 3.84Å
45	L	98.9	Very high	97.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	146.6	172.8	-50.5	174.2	0	0	0	109.7	L34 L40 I67 F69 I336 A357 V358 M359 V360	L34-L45 HydrophobicContact CD1-CD1 3.62Å; L34-L45 HydrophobicContact CD1-CD2 4.2Å; L34-L45 HydrophobicContact CD1-CG 4.45Å; L34-L45 HydrophobicContact CD2-CD2 4.17Å; L40-L45 HydrophobicContact CD1-CD2 3.77Å; L40-L45 HydrophobicContact CD2-CD2 4.27Å; L45-I67 VanDerWaalsContact CA-O 3.27Å; L45-I67 WeakPolarHBondContact CA-O 3.4Å; L45-I67 HydrophobicContact CD2-CB 3.88Å; L45-F69 HydrophobicContact CB-CD2 4.43Å; L45-F69 HydrophobicContact CB-CE2 4.24Å; L45-F69 HydrophobicContact CD1-CE2 3.99Å; L45-F69 HydrophobicContact CD2-CE2 4.11Å; L45-F69 HydrophobicContact CG-CE2 4.34Å; L45-I336 HydrophobicContact CD1-CD1 3.88Å; L45-I336 HydrophobicContact CD1-CG1 4.18Å; L45-I336 HydrophobicContact CD1-CG2 3.79Å; L45-A357 HydrophobicContact CD1-CB 4.47Å; L45-A357 HydrophobicContact CG-CB 4.39Å; L45-V358 PolarHBondContact N-O 3.31Å; L45-M359 HydrophobicContact CB-CB 4.28Å; L45-M359 HydrophobicContact CB-CE 4.03Å; L45-M359 HydrophobicContact CB-CG 4.45Å; L45-M359 HydrophobicContact CD1-CE 4.07Å; L45-M359 WeakPolarHBondContact O-CA 3.37Å; L45-V360 PolarHBondContact O-N 3.29Å
46	S	98.8	Very high	97.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	141.8	169.7	70.6	0	0	0	0	111.4	T53 L57 I67 G68	S46-T53 VanDerWaalsContact CB-OG1 3.25Å; S46-T53 WeakPolarHBondContact CB-OG1 3.33Å; S46-T53 VanDerWaalsContact OG-CG2 3.24Å; S46-T53 WeakPolarHBondContact OG-CG2 3.28Å; S46-T53 PolarHBondContact OG-OG1 3.19Å; S46-L57 VanDerWaalsContact OG-CD2 3.22Å; S46-L57 WeakPolarHBondContact OG-CD2 3.36Å; S46-I67 PolarHBondContact N-O 2.78Å; S46-G68 WeakPolarHBondContact OG-CA 3.49Å
47	A	98.4	Very high	98.1	Very high	4 Å²	4	24 Å²	24	3%	0.033	11%	0.113	C	C	.	.			trans	-67.1	145.4	-178	0	0	0	0	0	112.8	M49 T53 M359 V360	A47-M49 HydrophobicContact CB-CG 3.99Å; A47-M49 HydrophobicContact CB-SD 3.81Å; A47-M49 PolarHBondContact O-N 2.89Å; A47-T53 WeakPolarHBondContact O-CB 3.5Å; A47-T53 PolarHBondContact O-OG1 3.45Å; A47-M359 HydrophobicContact CB-CG 4.04Å; A47-M359 HydrophobicContact CB-SD 4.38Å; A47-V360 PolarHBondContact N-O 3.42Å
48	A	97.9	Very high	98.2	Very high	6 Å²	6	20 Å²	20	5%	0.05	9%	0.088	C	C	.	.			trans	-77.4	66.8	177.5	0	0	0	0	0	112.2	F69 A223 L246	A48-F69 WeakPolarHBondContact CA-O 3.39Å; A48-F69 HydrophobicContact CB-CB 3.9Å; A48-A223 HydrophobicContact CB-CB 3.44Å; A48-A223 VanDerWaalsContact CB-CB 3.44Å; A48-L246 HydrophobicContact CB-CD2 4.13Å
49	M	97.6	Very high	98.1	Very high	15 Å²	15	20.8 Å²	20.8	7%	0.074	9%	0.092	C	C	.	.			trans	-126.6	144.6	-175.5	-58.8	172.4	63.6	0	0	111.5	A47 T51 V52 T53 I304 Y385 R386 M388	A47-M49 HydrophobicContact CB-CG 3.99Å; A47-M49 HydrophobicContact CB-SD 3.81Å; A47-M49 PolarHBondContact O-N 2.89Å; M49-T51 PolarHBondContact O-N 3.41Å; M49-T51 VanDerWaalsContact O-N 3.14Å; M49-V52 HydrophobicContact CB-CB 4.05Å; M49-V52 HydrophobicContact CB-CG2 3.8Å; M49-V52 HydrophobicContact CG-CG2 4.44Å; M49-V52 PolarHBondContact O-N 3.06Å; M49-V52 HydrophobicContact SD-CG2 4.1Å; M49-T53 PolarHBondContact O-N 3.33Å; M49-I304 HydrophobicContact CE-CD1 4.14Å; M49-I304 HydrophobicContact CE-CG1 4.19Å; M49-Y385 HydrophobicContact CE-CD2 4.35Å; M49-Y385 HydrophobicContact CE-CE2 3.49Å; M49-Y385 VanDerWaalsContact CE-CE2 3.49Å; M49-Y385 HydrophobicContact SD-CE2 4.15Å; M49-R386 WeakPolarHBondContact CE-O 3.34Å; M49-M388 HydrophobicContact CB-CG 4.45Å; M49-M388 HydrophobicContact CB-SD 3.89Å; M49-M388 HydrophobicContact CG-CG 3.91Å; M49-M388 HydrophobicContact CG-SD 4.02Å
50	D	95.8	Very high	98.1	Very high	17 Å²	17	15.7 Å²	15.7	9%	0.091	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-6.5	-177.8	67.5	16.7	0	0	0	114.9	H71 N73 P371 R386	D50-H71 VanDerWaalsContact CA-CD2 3.45Å; D50-H71 WeakPolarHBondContact CA-CD2 3.39Å; D50-N73 HydrophobicContact CB-CB 4.25Å; D50-N73 PolarHBondContact OD2-ND2 3.13Å; D50-P371 WeakPolarHBondContact O-CG 3.39Å; D50-R386 IonicContact OD1-CZ 2.81Å; D50-R386 IonicContact OD1-NE 3.49Å; D50-R386 PolarHBondContact OD1-NE 3.37Å; D50-R386 IonicContact OD1-NH2 3.24Å; D50-R386 PolarHBondContact OD1-NH2 3.33Å; D50-R386 IonicContact OD2-CZ 3.15Å; D50-R386 IonicContact OD2-NE 3.61Å; D50-R386 PolarHBondContact OD2-NE 3.02Å; D50-R386 IonicContact OD2-NH2 3.23Å; D50-R386 PolarHBondContact OD2-NH2 3.41Å
51	T	96.9	Very high	98.1	Very high	5 Å²	5	15.7 Å²	15.7	3%	0.031	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	7.5	169.5	54.2	0	0	0	0	113.3	M49 Y385 R386	M49-T51 PolarHBondContact O-N 3.41Å; M49-T51 VanDerWaalsContact O-N 3.14Å; T51-Y385 WeakPolarHBondContact OG1-CD2 3.49Å; T51-R386 HydrophobicContact CG2-CG 3.83Å; T51-R386 PolarHBondContact OG1-N 3.24Å
52	V	98.3	Very high	98.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-58.2	-178	-174	0	0	0	0	111.5	M49 L57 L364 A365 P371 Y385	M49-V52 HydrophobicContact CB-CB 4.05Å; M49-V52 HydrophobicContact CB-CG2 3.8Å; M49-V52 HydrophobicContact CG-CG2 4.44Å; M49-V52 PolarHBondContact O-N 3.06Å; M49-V52 HydrophobicContact SD-CG2 4.1Å; V52-L57 WeakPolarHBondContact O-CD1 3.06Å; V52-L364 HydrophobicContact CG1-CB 4.25Å; V52-A365 HydrophobicContact CG2-CB 4.1Å; V52-P371 WeakPolarHBondContact O-CD 3.26Å; V52-Y385 HydrophobicContact CG2-CD2 4.22Å; V52-Y385 HydrophobicContact CG2-CE2 3.79Å
53	T	98.7	Very high	98	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.065	C	C	.	.			trans	-128.2	108.9	-164.4	-46.4	0	0	0	0	114.4	S46 A47 M49 L57 A58 F69 I70 H71	S46-T53 VanDerWaalsContact CB-OG1 3.25Å; S46-T53 WeakPolarHBondContact CB-OG1 3.33Å; S46-T53 VanDerWaalsContact OG-CG2 3.24Å; S46-T53 WeakPolarHBondContact OG-CG2 3.28Å; S46-T53 PolarHBondContact OG-OG1 3.19Å; A47-T53 WeakPolarHBondContact O-CB 3.5Å; A47-T53 PolarHBondContact O-OG1 3.45Å; M49-T53 PolarHBondContact O-N 3.33Å; T53-L57 HydrophobicContact CG2-CD2 4.02Å; T53-A58 HydrophobicContact CG2-CB 4.14Å; T53-F69 WeakPolarHBondContact CB-O 3.36Å; T53-F69 VanDerWaalsContact CG2-O 3.29Å; T53-F69 WeakPolarHBondContact CG2-O 3.32Å; T53-I70 HydrophobicContact CG2-CD1 4.4Å; T53-H71 PolarHBondContact O-CD2 3.36Å; T53-H71 VanDerWaalsContact O-CD2 3.3Å
54	E	98.4	Very high	97.9	Very high	58 Å²	58	15.3 Å²	15.3	27%	0.271	7%	0.071	S	C	.	.	S	Bend	trans	-120.3	-173.7	158.4	-70.1	-172.4	160.8	0	0	109.3	R56 L57 A58 H71 M74 P371	E54-R56 PolarHBondContact O-N 2.9Å; E54-R56 VanDerWaalsContact O-N 3.12Å; E54-L57 PolarHBondContact O-N 3.42Å; E54-L57 VanDerWaalsContact O-N 3.17Å; E54-A58 WeakPolarHBondContact O-CB 3.38Å; E54-A58 PolarHBondContact O-N 3.09Å; E54-H71 IonicContact OE1-NE2 2.71Å; E54-M74 HydrophobicContact CG-CE 4.34Å; E54-P371 HydrophobicContact CG-CB 4Å; E54-P371 HydrophobicContact CG-CG 4.15Å
55	A	97.9	Very high	97.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-54.7	-37	-174.7	0	0	0	0	0	113.2	L57 A58 I59 E82 R85 V86	A55-L57 PolarHBondContact O-N 3.16Å; A55-A58 PolarHBondContact O-N 3.19Å; A55-I59 HydrophobicContact CB-CD1 4.45Å; A55-I59 VanDerWaalsContact O-CB 3.31Å; A55-I59 WeakPolarHBondContact O-CB 3.47Å; A55-I59 VanDerWaalsContact O-CD1 3.32Å; A55-I59 WeakPolarHBondContact O-CD1 3.39Å; A55-I59 WeakPolarHBondContact O-CG1 3.05Å; A55-I59 PolarHBondContact O-N 3.14Å; A55-E82 WeakPolarHBondContact CA-OE2 3.46Å; A55-E82 HydrophobicContact CB-CB 4.41Å; A55-E82 WeakPolarHBondContact CB-OE2 3.18Å; A55-E82 PolarHBondContact N-OE2 3.33Å; A55-R85 HydrophobicContact CB-CB 3.91Å; A55-V86 HydrophobicContact CB-CG2 3.83Å
56	R	97.4	Very high	97.9	Very high	129 Å²	129	15.3 Å²	15.3	49%	0.487	7%	0.071	S	C	.	.	H	α-helix	trans	-59.8	-48.5	-179.3	-171	-177.5	176.5	-173.6	1.2	111.7	E54 A60 E368 E369	E54-R56 PolarHBondContact O-N 2.9Å; E54-R56 VanDerWaalsContact O-N 3.12Å; R56-A60 PolarHBondContact O-N 2.81Å; R56-E368 VanDerWaalsContact CZ-O 3.28Å; R56-E368 IonicContact CZ-OE1 3.88Å; R56-E368 PolarHBondContact NH1-O 2.78Å; R56-E368 VanDerWaalsContact NH1-O 3.09Å; R56-E368 IonicContact NH1-OE1 2.6Å; R56-E368 PolarHBondContact NH1-OE1 3.03Å; R56-E368 VanDerWaalsContact NH2-CG 3.32Å; R56-E368 IonicContact NH2-OE1 2.65Å; R56-E368 PolarHBondContact NH2-OE1 3.24Å; R56-E369 HydrophobicContact CG-CB 4.01Å; R56-E369 HydrophobicContact CG-CG 4.22Å
57	L	98.6	Very high	97.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-72.5	-40.3	177.1	-170.6	139.9	0	0	0	111.5	S46 V52 T53 E54 A55 I59 A60 L61 L364 E369 L427	S46-L57 VanDerWaalsContact OG-CD2 3.22Å; S46-L57 WeakPolarHBondContact OG-CD2 3.36Å; V52-L57 WeakPolarHBondContact O-CD1 3.06Å; T53-L57 HydrophobicContact CG2-CD2 4.02Å; E54-L57 PolarHBondContact O-N 3.42Å; E54-L57 VanDerWaalsContact O-N 3.17Å; A55-L57 PolarHBondContact O-N 3.16Å; L57-I59 VanDerWaalsContact C-N 3.35Å; L57-I59 PolarHBondContact O-N 3.49Å; L57-A60 PolarHBondContact O-N 2.9Å; L57-L61 WeakPolarHBondContact O-CB 3.32Å; L57-L61 PolarHBondContact O-N 2.96Å; L57-L364 HydrophobicContact CD1-CB 4.15Å; L57-L364 HydrophobicContact CD2-CD1 4.49Å; L57-E369 HydrophobicContact CB-CB 4.18Å; L57-E369 PolarHBondContact N-O 2.72Å; L57-L427 HydrophobicContact CD1-CD1 3.86Å; L57-L427 HydrophobicContact CD2-CD1 4.13Å; L57-L427 HydrophobicContact CG-CD1 3.67Å
58	A	98.7	Very high	97.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.4	-42.8	178.7	0	0	0	0	0	112.2	T53 E54 A55 A62 I70 V86 V220	T53-A58 HydrophobicContact CG2-CB 4.14Å; E54-A58 WeakPolarHBondContact O-CB 3.38Å; E54-A58 PolarHBondContact O-N 3.09Å; A55-A58 PolarHBondContact O-N 3.19Å; A58-A62 VanDerWaalsContact O-CB 3.22Å; A58-A62 WeakPolarHBondContact O-CB 3.43Å; A58-A62 PolarHBondContact O-N 2.96Å; A58-I70 HydrophobicContact CB-CD1 3.85Å; A58-V86 HydrophobicContact CB-CG2 3.78Å; A58-V220 HydrophobicContact CB-CG2 4.28Å
59	I	97.1	Very high	97.9	Very high	19 Å²	19	14.8 Å²	14.8	10%	0.097	7%	0.067	C	C	.	.	H	α-helix	trans	-59.6	-51	173.1	-73.1	159.6	0	0	0	110.5	A55 L57 L61 A62 Q63 V86 H89 L218	A55-I59 HydrophobicContact CB-CD1 4.45Å; A55-I59 VanDerWaalsContact O-CB 3.31Å; A55-I59 WeakPolarHBondContact O-CB 3.47Å; A55-I59 VanDerWaalsContact O-CD1 3.32Å; A55-I59 WeakPolarHBondContact O-CD1 3.39Å; A55-I59 WeakPolarHBondContact O-CG1 3.05Å; A55-I59 PolarHBondContact O-N 3.14Å; L57-I59 VanDerWaalsContact C-N 3.35Å; L57-I59 PolarHBondContact O-N 3.49Å; I59-L61 VanDerWaalsContact C-N 3.35Å; I59-L61 PolarHBondContact O-N 3.28Å; I59-A62 PolarHBondContact O-N 2.69Å; I59-Q63 HydrophobicContact CG2-CG 4.49Å; I59-Q63 WeakPolarHBondContact O-CB 3.38Å; I59-Q63 VanDerWaalsContact O-CG 3.31Å; I59-Q63 WeakPolarHBondContact O-CG 3.28Å; I59-Q63 PolarHBondContact O-N 3.28Å; I59-V86 HydrophobicContact CG1-CB 4.22Å; I59-V86 HydrophobicContact CG1-CG1 4.05Å; I59-V86 HydrophobicContact CG1-CG2 4.05Å; I59-H89 HydrophobicContact CD1-CB 3.81Å; I59-H89 HydrophobicContact CG1-CB 3.88Å; I59-H89 HydrophobicContact CG2-CB 4.38Å; I59-H89 WeakPolarHBondContact CG2-CD2 3.35Å; I59-L218 HydrophobicContact CB-CD1 4.43Å; I59-L218 HydrophobicContact CG1-CD1 4.46Å; I59-L218 HydrophobicContact CG2-CD1 4.01Å
60	A	97.5	Very high	98	Very high	12 Å²	12	14.1 Å²	14.1	10%	0.099	6%	0.064	C	C	.	.	H	α-helix	trans	-62	-42.8	-176.9	0	0	0	0	0	111.8	R56 L57 Q63 E64 E369 L427	R56-A60 PolarHBondContact O-N 2.81Å; L57-A60 PolarHBondContact O-N 2.9Å; A60-Q63 PolarHBondContact O-N 2.91Å; A60-E64 WeakPolarHBondContact O-CG 3.36Å; A60-E64 PolarHBondContact O-N 3.28Å; A60-E369 HydrophobicContact CB-CB 4.35Å; A60-E369 HydrophobicContact CB-CG 3.85Å; A60-L427 HydrophobicContact CB-CD1 4.48Å; A60-L427 HydrophobicContact CB-CD2 4.23Å
61	L	98.6	Very high	98.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-68.8	-42	177.7	-178.8	57.6	0	0	0	112.1	I42 L57 I59 Q63 E64 G65 G66 I67 L427 I431	I42-L61 HydrophobicContact CD1-CD1 4.32Å; L57-L61 WeakPolarHBondContact O-CB 3.32Å; L57-L61 PolarHBondContact O-N 2.96Å; I59-L61 VanDerWaalsContact C-N 3.35Å; I59-L61 PolarHBondContact O-N 3.28Å; L61-Q63 VanDerWaalsContact C-N 3.29Å; L61-Q63 PolarHBondContact O-N 3.31Å; L61-E64 CarbonylContact O-C 3.47Å; L61-E64 PolarHBondContact O-N 3Å; L61-E64 VanDerWaalsContact O-N 3.1Å; L61-G65 PolarHBondContact O-N 3.24Å; L61-G65 VanDerWaalsContact O-N 3.09Å; L61-G66 PolarHBondContact O-N 2.76Å; L61-I67 WeakPolarHBondContact CD2-O 3.33Å; L61-L427 HydrophobicContact CB-CD1 4.29Å; L61-L427 HydrophobicContact CB-CD2 4.49Å; L61-I431 HydrophobicContact CD1-CD1 3.84Å; L61-I431 HydrophobicContact CD1-CG1 4.46Å
62	A	98.2	Very high	98	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.2	-39	175.8	0	0	0	0	0	111.8	A58 I59 E64 G65 G66 A210 C211 L218	A58-A62 VanDerWaalsContact O-CB 3.22Å; A58-A62 WeakPolarHBondContact O-CB 3.43Å; A58-A62 PolarHBondContact O-N 2.96Å; I59-A62 PolarHBondContact O-N 2.69Å; A62-E64 VanDerWaalsContact C-N 3.28Å; A62-E64 PolarHBondContact O-N 3.39Å; A62-G65 PolarHBondContact O-N 2.73Å; A62-G65 VanDerWaalsContact O-N 3.1Å; A62-G66 VanDerWaalsContact CA-O 3.3Å; A62-G66 WeakPolarHBondContact CA-O 3.32Å; A62-A210 CarbonylContact O-C 3.51Å; A62-A210 VanDerWaalsContact O-CA 3.25Å; A62-A210 WeakPolarHBondContact O-CA 3.38Å; A62-C211 PolarHBondContact O-N 3.38Å; A62-L218 HydrophobicContact CB-CB 3.91Å; A62-L218 HydrophobicContact CB-CD1 4.32Å; A62-L218 HydrophobicContact CB-CD2 4.06Å; A62-L218 HydrophobicContact CB-CG 4.31Å
63	Q	96	Very high	97.8	Very high	27 Å²	27	15 Å²	15	13%	0.126	7%	0.067	C	C	.	.	H	α-helix	trans	-63.6	-28.7	174	-78.6	179.6	-26.9	0	0	114	I59 A60 L61 H89 E90 K207 L218	I59-Q63 HydrophobicContact CG2-CG 4.49Å; I59-Q63 WeakPolarHBondContact O-CB 3.38Å; I59-Q63 VanDerWaalsContact O-CG 3.31Å; I59-Q63 WeakPolarHBondContact O-CG 3.28Å; I59-Q63 PolarHBondContact O-N 3.28Å; A60-Q63 PolarHBondContact O-N 2.91Å; L61-Q63 VanDerWaalsContact C-N 3.29Å; L61-Q63 PolarHBondContact O-N 3.31Å; Q63-H89 PolarHBondContact NE2-NE2 2.9Å; Q63-E90 PolarHBondContact NE2-OE1 2.89Å; Q63-K207 HydrophobicContact CB-CB 4.33Å; Q63-K207 HydrophobicContact CB-CD 3.85Å; Q63-K207 HydrophobicContact CB-CG 3.89Å; Q63-K207 HydrophobicContact CG-CB 4.49Å; Q63-K207 HydrophobicContact CG-CD 4.43Å; Q63-K207 HydrophobicContact CG-CG 3.99Å; Q63-L218 HydrophobicContact CG-CD1 3.96Å; Q63-L218 HydrophobicContact CG-CD2 4.19Å
64	E	97.5	Very high	97.7	Very high	29 Å²	29	16.5 Å²	16.5	14%	0.136	8%	0.075	C	C	.	.	H	α-helix	trans	-88.7	-6	174.6	-58.7	-54.7	141.2	0	0	113.3	I42 A60 L61 A62 K207 L427 K428 I431	I42-E64 HydrophobicContact CD1-CB 4.45Å; A60-E64 WeakPolarHBondContact O-CG 3.36Å; A60-E64 PolarHBondContact O-N 3.28Å; L61-E64 CarbonylContact O-C 3.47Å; L61-E64 PolarHBondContact O-N 3Å; L61-E64 VanDerWaalsContact O-N 3.1Å; A62-E64 VanDerWaalsContact C-N 3.28Å; A62-E64 PolarHBondContact O-N 3.39Å; E64-K207 IonicContact OE1-NZ 3.33Å; E64-K207 PolarHBondContact OE1-NZ 2.77Å; E64-L427 HydrophobicContact CG-CD2 4.1Å; E64-K428 HydrophobicContact CG-CB 4.45Å; E64-K428 WeakPolarHBondContact OE1-CG 3.28Å; E64-I431 HydrophobicContact CB-CG1 4.4Å; E64-I431 HydrophobicContact CB-CG2 4.04Å; E64-I431 HydrophobicContact CG-CG1 4.4Å
65	G	98	Very high	97.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.5	2.8	172.8	0	0	0	0	0	116.6	N41 I42 L61 A62 N209	N41-G65 PolarHBondContact N-O 3.2Å; I42-G65 VanDerWaalsContact CG1-C 3.41Å; I42-G65 PolarHBondContact N-O 3.16Å; L61-G65 PolarHBondContact O-N 3.24Å; L61-G65 VanDerWaalsContact O-N 3.09Å; A62-G65 PolarHBondContact O-N 2.73Å; A62-G65 VanDerWaalsContact O-N 3.1Å; G65-N209 WeakPolarHBondContact CA-O 3.5Å; G65-N209 PolarHBondContact N-O 3.31Å
66	G	98.6	Very high	97.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.089	C	C	.	.			trans	-94.2	-167.2	173.6	0	0	0	0	0	112.1	M44 L61 A62 C211	M44-G66 WeakPolarHBondContact O-CA 3.33Å; L61-G66 PolarHBondContact O-N 2.76Å; A62-G66 VanDerWaalsContact CA-O 3.3Å; A62-G66 WeakPolarHBondContact CA-O 3.32Å; G66-C211 WeakPolarHBondContact O-CB 3.44Å
67	I	98.8	Very high	97.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.8	170.7	-70.8	176.8	0	0	0	109.5	L34 I38 L40 M44 L45 S46 L61 F69 R219 V244	L34-I67 HydrophobicContact CD2-CD1 3.91Å; I38-I67 HydrophobicContact CG2-CD1 3.73Å; L40-I67 HydrophobicContact CD2-CB 4.14Å; L40-I67 HydrophobicContact CD2-CD1 3.51Å; L40-I67 HydrophobicContact CD2-CG1 3.5Å; L40-I67 VanDerWaalsContact CD2-CG1 3.5Å; M44-I67 PolarHBondContact O-N 2.94Å; L45-I67 VanDerWaalsContact CA-O 3.27Å; L45-I67 WeakPolarHBondContact CA-O 3.4Å; L45-I67 HydrophobicContact CD2-CB 3.88Å; S46-I67 PolarHBondContact N-O 2.78Å; L61-I67 WeakPolarHBondContact CD2-O 3.33Å; I67-F69 HydrophobicContact CG2-CD2 4.49Å; I67-F69 HydrophobicContact CG2-CE2 4.06Å; I67-F69 HydrophobicContact CG2-CZ 4.47Å; I67-R219 HydrophobicContact CD1-CB 3.69Å; I67-R219 HydrophobicContact CG1-CB 3.88Å; I67-V244 HydrophobicContact CG2-CG1 4.38Å
68	G	98.8	Very high	97.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	140.9	170.9	0	0	0	0	0	112.9	S46 G221	S46-G68 WeakPolarHBondContact OG-CA 3.49Å; G68-G221 PolarHBondContact O-N 3.02Å
69	F	98.9	Very high	97.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	111.6	174.3	-75	-96.6	0	0	0	112.2	L45 A48 T53 I67 H71 G221 V244 L246 I274 M359	L45-F69 HydrophobicContact CB-CD2 4.43Å; L45-F69 HydrophobicContact CB-CE2 4.24Å; L45-F69 HydrophobicContact CD1-CE2 3.99Å; L45-F69 HydrophobicContact CD2-CE2 4.11Å; L45-F69 HydrophobicContact CG-CE2 4.34Å; A48-F69 WeakPolarHBondContact CA-O 3.39Å; A48-F69 HydrophobicContact CB-CB 3.9Å; T53-F69 WeakPolarHBondContact CB-O 3.36Å; T53-F69 VanDerWaalsContact CG2-O 3.29Å; T53-F69 WeakPolarHBondContact CG2-O 3.32Å; I67-F69 HydrophobicContact CG2-CD2 4.49Å; I67-F69 HydrophobicContact CG2-CE2 4.06Å; I67-F69 HydrophobicContact CG2-CZ 4.47Å; F69-H71 PolarHBondContact O-N 3.44Å; F69-G221 CarbonylContact C-O 3.55Å; F69-G221 WeakPolarHBondContact CA-O 3.15Å; F69-V244 HydrophobicContact CE1-CG1 3.82Å; F69-V244 HydrophobicContact CE1-CG2 4.42Å; F69-V244 HydrophobicContact CZ-CG1 3.64Å; F69-V244 HydrophobicContact CZ-CG2 4.41Å; F69-L246 HydrophobicContact CD1-CB 3.61Å; F69-L246 HydrophobicContact CD1-CD2 4.03Å; F69-L246 HydrophobicContact CD1-CG 4.47Å; F69-L246 HydrophobicContact CE1-CB 3.68Å; F69-L246 HydrophobicContact CG-CD2 4.39Å; F69-I274 HydrophobicContact CE1-CD1 3.92Å; F69-I274 HydrophobicContact CE2-CD1 4.44Å; F69-I274 HydrophobicContact CZ-CD1 3.45Å; F69-I274 VanDerWaalsContact CZ-CD1 3.45Å; F69-M359 HydrophobicContact CD2-CE 3.56Å; F69-M359 HydrophobicContact CE2-CE 3.84Å; F69-M359 HydrophobicContact CG-CE 4.11Å
70	I	98.8	Very high	97.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	125.9	175.8	-51.6	-58.1	0	0	0	109.8	T53 A58 M74 Q79 E82 V83 V220 G221 A222 A223	T53-I70 HydrophobicContact CG2-CD1 4.4Å; A58-I70 HydrophobicContact CB-CD1 3.85Å; I70-M74 HydrophobicContact CG2-CE 4.28Å; I70-M74 HydrophobicContact CG2-SD 4.5Å; I70-Q79 HydrophobicContact CG2-CG 3.79Å; I70-Q79 PolarHBondContact O-NE2 2.71Å; I70-E82 HydrophobicContact CD1-CB 4.26Å; I70-E82 HydrophobicContact CG1-CB 4.33Å; I70-E82 HydrophobicContact CG2-CB 3.8Å; I70-E82 HydrophobicContact CG2-CG 4.35Å; I70-V83 HydrophobicContact CG1-CG2 4.22Å; I70-V220 HydrophobicContact CD1-CG2 4.31Å; I70-V220 HydrophobicContact CG1-CG2 3.93Å; I70-G221 PolarHBondContact N-O 3.02Å; I70-A222 HydrophobicContact CB-CB 4.37Å; I70-A223 PolarHBondContact O-N 2.95Å
71	H	98	Very high	97.5	Very high	5 Å²	5	25.7 Å²	25.7	2%	0.023	12%	0.123	C	C	.	.			trans	-69.3	164.3	178.5	72.7	85.6	0	0	0	112.8	D50 T53 E54 F69 N73 M74 Q79	D50-H71 VanDerWaalsContact CA-CD2 3.45Å; D50-H71 WeakPolarHBondContact CA-CD2 3.39Å; T53-H71 PolarHBondContact O-CD2 3.36Å; T53-H71 VanDerWaalsContact O-CD2 3.3Å; E54-H71 IonicContact OE1-NE2 2.71Å; F69-H71 PolarHBondContact O-N 3.44Å; H71-N73 PolarHBondContact CE1-O 2.81Å; H71-N73 PolarHBondContact ND1-N 2.76Å; H71-N73 VanDerWaalsContact ND1-N 3.18Å; H71-M74 WeakPolarHBondContact CE1-CE 3.43Å; H71-M74 WeakPolarHBondContact NE2-CE 3.46Å; H71-Q79 PolarHBondContact O-NE2 3.34Å; H71-Q79 VanDerWaalsContact O-NE2 3.14Å
72	K	95.9	Very high	97.4	Very high	18 Å²	18	25.7 Å²	25.7	8%	0.078	12%	0.123	C	C	.	.	S	Bend	trans	-100.1	-6.4	-177.7	65	170.3	177.7	155.4	0	116.3	M74 A223 G225 D400	K72-M74 PolarHBondContact O-N 3.45Å; K72-M74 VanDerWaalsContact O-O 3.09Å; K72-A223 WeakPolarHBondContact CB-O 3.32Å; K72-G225 VanDerWaalsContact NZ-CA 3.3Å; K72-D400 IonicContact NZ-OD1 3.48Å; K72-D400 PolarHBondContact NZ-OD1 2.96Å; K72-D400 IonicContact NZ-OD2 3.49Å; K72-D400 PolarHBondContact NZ-OD2 2.93Å
73	N	94.2	Very high	97.4	Very high	17 Å²	17	25.7 Å²	25.7	9%	0.091	12%	0.123	C	C	.	.	S	Bend	trans	-68.7	55.3	175.2	-76.4	20.1	0	0	0	112.8	D50 H71 M388 A393 S398	D50-N73 HydrophobicContact CB-CB 4.25Å; D50-N73 PolarHBondContact OD2-ND2 3.13Å; H71-N73 PolarHBondContact CE1-O 2.81Å; H71-N73 PolarHBondContact ND1-N 2.76Å; H71-N73 VanDerWaalsContact ND1-N 3.18Å; N73-M388 HydrophobicContact CB-CE 4.44Å; N73-M388 VanDerWaalsContact CG-CE 3.46Å; N73-M388 VanDerWaalsContact ND2-CE 3.27Å; N73-M388 WeakPolarHBondContact ND2-CE 3.33Å; N73-M388 WeakPolarHBondContact OD1-CE 3.47Å; N73-A393 PolarHBondContact ND2-O 2.58Å; N73-S398 WeakPolarHBondContact OD1-CB 3.3Å; N73-S398 PolarHBondContact OD1-N 3.3Å
74	M	95	Very high	97.3	Very high	32 Å²	32	28.2 Å²	28.2	16%	0.158	13%	0.131	C	C	.	.	S	Bend	trans	-161.8	169.2	176.6	60.6	179.8	75.7	0	0	108.8	E54 I70 H71 K72 R78 Q79 E82 R233	E54-M74 HydrophobicContact CG-CE 4.34Å; I70-M74 HydrophobicContact CG2-CE 4.28Å; I70-M74 HydrophobicContact CG2-SD 4.5Å; H71-M74 WeakPolarHBondContact CE1-CE 3.43Å; H71-M74 WeakPolarHBondContact NE2-CE 3.46Å; K72-M74 PolarHBondContact O-N 3.45Å; K72-M74 VanDerWaalsContact O-O 3.09Å; M74-R78 HydrophobicContact CB-CB 4.22Å; M74-R78 HydrophobicContact CB-CG 4.09Å; M74-R78 HydrophobicContact CG-CB 4.33Å; M74-R78 HydrophobicContact CG-CG 4.3Å; M74-R78 HydrophobicContact SD-CB 4.14Å; M74-R78 HydrophobicContact SD-CG 3.68Å; M74-Q79 HydrophobicContact CG-CB 3.87Å; M74-Q79 HydrophobicContact CG-CG 4.37Å; M74-Q79 WeakPolarHBondContact SD-CA 3.44Å; M74-Q79 HydrophobicContact SD-CB 3.84Å; M74-Q79 HydrophobicContact SD-CG 4.18Å; M74-Q79 PolarHBondContact SD-N 2.85Å; M74-Q79 VanDerWaalsContact SD-N 3.45Å; M74-E82 HydrophobicContact CE-CG 4.28Å; M74-E82 HydrophobicContact SD-CG 4.03Å; M74-R233 PolarHBondContact O-NH1 3.32Å; M74-R233 PolarHBondContact O-NH2 3.04Å
75	S	96.1	Very high	97.1	Very high	60 Å²	60	31.8 Å²	31.8	42%	0.42	14%	0.143	S	C	.	.			trans	-63	164.6	176.2	87.7	0	0	0	0	111.9	E77 R78 Q79 R233	S75-E77 VanDerWaalsContact C-N 3.32Å; S75-E77 WeakPolarHBondContact CB-OE2 3.36Å; S75-E77 PolarHBondContact OG-N 3.36Å; S75-E77 PolarHBondContact OG-OE2 2.9Å; S75-R78 PolarHBondContact O-N 2.96Å; S75-R78 PolarHBondContact OG-N 3.31Å; S75-R78 VanDerWaalsContact OG-N 3.16Å; S75-Q79 PolarHBondContact O-N 3.43Å; S75-R233 PolarHBondContact O-NH1 3.05Å
76	I	97.2	Very high	97	Very high	32 Å²	32	31.8 Å²	31.8	16%	0.164	14%	0.143	C	C	.	.	H	α-helix	trans	-61	-45.8	178	-66.9	174.2	0	0	0	110	R78 Q79 A80 E232 R233 A236	I76-R78 VanDerWaalsContact C-N 3.33Å; I76-R78 PolarHBondContact O-N 2.95Å; I76-Q79 PolarHBondContact O-N 3.46Å; I76-A80 WeakPolarHBondContact O-CB 3.31Å; I76-A80 PolarHBondContact O-N 2.95Å; I76-E232 HydrophobicContact CD1-CB 4.01Å; I76-R233 HydrophobicContact CD1-CB 4.06Å; I76-R233 HydrophobicContact CG1-CB 3.86Å; I76-R233 HydrophobicContact CG1-CG 4.12Å; I76-R233 HydrophobicContact CG2-CB 4.48Å; I76-A236 HydrophobicContact CG2-CB 3.39Å
77	E	97.4	Very high	96.6	Very high	126 Å²	126	32.1 Å²	32.1	59%	0.589	15%	0.145	S	C	*	.	H	α-helix	trans	-63.3	-42.5	-178.4	-52.4	68.7	-146.3	0	0	110.6	S75 A80 E81	S75-E77 VanDerWaalsContact C-N 3.32Å; S75-E77 WeakPolarHBondContact CB-OE2 3.36Å; S75-E77 PolarHBondContact OG-N 3.36Å; S75-E77 PolarHBondContact OG-OE2 2.9Å; E77-A80 PolarHBondContact O-N 2.87Å; E77-E81 WeakPolarHBondContact O-CB 3.3Å; E77-E81 PolarHBondContact O-N 3.42Å
78	R	97.6	Very high	96	Very high	117 Å²	117	39.5 Å²	39.5	44%	0.442	18%	0.177	S	C	.	.	H	α-helix	trans	-66.2	-42.2	178.9	-176.1	59.9	-173.4	-171.7	4.2	111.5	M74 S75 I76 E81 E82	M74-R78 HydrophobicContact CB-CB 4.22Å; M74-R78 HydrophobicContact CB-CG 4.09Å; M74-R78 HydrophobicContact CG-CB 4.33Å; M74-R78 HydrophobicContact CG-CG 4.3Å; M74-R78 HydrophobicContact SD-CB 4.14Å; M74-R78 HydrophobicContact SD-CG 3.68Å; S75-R78 PolarHBondContact O-N 2.96Å; S75-R78 PolarHBondContact OG-N 3.31Å; S75-R78 VanDerWaalsContact OG-N 3.16Å; I76-R78 VanDerWaalsContact C-N 3.33Å; I76-R78 PolarHBondContact O-N 2.95Å; R78-E81 WeakPolarHBondContact O-CB 3.18Å; R78-E81 PolarHBondContact O-N 3.19Å; R78-E82 IonicContact CZ-OE1 3.9Å; R78-E82 VanDerWaalsContact CZ-OE1 3.28Å; R78-E82 IonicContact NE-OE1 2.71Å; R78-E82 PolarHBondContact NE-OE1 3.46Å; R78-E82 IonicContact NH2-OE1 3.83Å; R78-E82 PolarHBondContact NH2-OE1 3.02Å; R78-E82 WeakPolarHBondContact O-CG 3.42Å; R78-E82 PolarHBondContact O-N 3.01Å
79	Q	98.4	Very high	95.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.6	-43.8	178	-160.2	-173.7	11.1	0	0	111.8	I70 H71 M74 S75 I76 E81 E82 V83 A223 R233 L237	I70-Q79 HydrophobicContact CG2-CG 3.79Å; I70-Q79 PolarHBondContact O-NE2 2.71Å; H71-Q79 PolarHBondContact O-NE2 3.34Å; H71-Q79 VanDerWaalsContact O-NE2 3.14Å; M74-Q79 HydrophobicContact CG-CB 3.87Å; M74-Q79 HydrophobicContact CG-CG 4.37Å; M74-Q79 WeakPolarHBondContact SD-CA 3.44Å; M74-Q79 HydrophobicContact SD-CB 3.84Å; M74-Q79 HydrophobicContact SD-CG 4.18Å; M74-Q79 PolarHBondContact SD-N 2.85Å; M74-Q79 VanDerWaalsContact SD-N 3.45Å; S75-Q79 PolarHBondContact O-N 3.43Å; I76-Q79 PolarHBondContact O-N 3.46Å; Q79-E81 VanDerWaalsContact C-N 3.25Å; Q79-E81 PolarHBondContact O-N 2.98Å; Q79-E82 PolarHBondContact O-N 3.23Å; Q79-V83 PolarHBondContact O-N 3.17Å; Q79-V83 VanDerWaalsContact O-N 3.08Å; Q79-A223 PolarHBondContact NE2-O 3.11Å; Q79-R233 VanDerWaalsContact OE1-CD 3.25Å; Q79-L237 HydrophobicContact CB-CD2 4.29Å; Q79-L237 HydrophobicContact CG-CD2 3.89Å
80	A	98.1	Very high	94	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-37.1	174.1	0	0	0	0	0	111.3	I76 E77 V83 R84 A236 A240	I76-A80 WeakPolarHBondContact O-CB 3.31Å; I76-A80 PolarHBondContact O-N 2.95Å; E77-A80 PolarHBondContact O-N 2.87Å; A80-V83 PolarHBondContact O-N 2.92Å; A80-R84 WeakPolarHBondContact O-CG 3.08Å; A80-R84 PolarHBondContact O-N 3.43Å; A80-A236 HydrophobicContact CB-CB 4.25Å; A80-A240 HydrophobicContact CB-CB 4.11Å
81	E	96.7	Very high	92.3	Very high	76 Å²	76	43 Å²	43	36%	0.355	20%	0.195	S	C	.	.	H	α-helix	trans	-66.7	-42.2	175.1	-175.2	54	-153.7	0	0	112.9	E77 R78 Q79 V83 R84 R85	E77-E81 WeakPolarHBondContact O-CB 3.3Å; E77-E81 PolarHBondContact O-N 3.42Å; R78-E81 WeakPolarHBondContact O-CB 3.18Å; R78-E81 PolarHBondContact O-N 3.19Å; Q79-E81 VanDerWaalsContact C-N 3.25Å; Q79-E81 PolarHBondContact O-N 2.98Å; E81-V83 VanDerWaalsContact C-N 3.28Å; E81-V83 PolarHBondContact O-N 3.44Å; E81-R84 PolarHBondContact O-N 3.19Å; E81-R84 IonicContact OE2-CZ 2.64Å; E81-R84 IonicContact OE2-NH1 3.24Å; E81-R84 PolarHBondContact OE2-NH1 3.02Å; E81-R85 HydrophobicContact CG-CG 4.47Å; E81-R85 VanDerWaalsContact O-CG 3.25Å; E81-R85 WeakPolarHBondContact O-CG 3.09Å; E81-R85 PolarHBondContact O-N 3.46Å
82	E	98.2	Very high	90.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.9	-41.8	172.7	-68.1	-62	131.6	0	0	111.4	A55 I70 M74 R78 Q79 R85 V86	A55-E82 WeakPolarHBondContact CA-OE2 3.46Å; A55-E82 HydrophobicContact CB-CB 4.41Å; A55-E82 WeakPolarHBondContact CB-OE2 3.18Å; A55-E82 PolarHBondContact N-OE2 3.33Å; I70-E82 HydrophobicContact CD1-CB 4.26Å; I70-E82 HydrophobicContact CG1-CB 4.33Å; I70-E82 HydrophobicContact CG2-CB 3.8Å; I70-E82 HydrophobicContact CG2-CG 4.35Å; M74-E82 HydrophobicContact CE-CG 4.28Å; M74-E82 HydrophobicContact SD-CG 4.03Å; R78-E82 IonicContact CZ-OE1 3.9Å; R78-E82 VanDerWaalsContact CZ-OE1 3.28Å; R78-E82 IonicContact NE-OE1 2.71Å; R78-E82 PolarHBondContact NE-OE1 3.46Å; R78-E82 IonicContact NH2-OE1 3.83Å; R78-E82 PolarHBondContact NH2-OE1 3.02Å; R78-E82 WeakPolarHBondContact O-CG 3.42Å; R78-E82 PolarHBondContact O-N 3.01Å; Q79-E82 PolarHBondContact O-N 3.23Å; E82-R85 VanDerWaalsContact CD-NH1 3.34Å; E82-R85 PolarHBondContact O-N 3.29Å; E82-R85 IonicContact OE1-CZ 3.38Å; E82-R85 IonicContact OE1-NH1 2.58Å; E82-R85 PolarHBondContact OE1-NH1 2.82Å; E82-R85 IonicContact OE2-NH1 2.75Å; E82-R85 PolarHBondContact OE2-NH1 3.19Å; E82-V86 WeakPolarHBondContact O-CG2 3.42Å; E82-V86 PolarHBondContact O-N 3.13Å
83	V	98	Very high	89.2	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.5	-50.4	173.3	169.6	0	0	0	0	111.2	I70 Q79 A80 E81 R85 V86 K87 V220 A222 L237 A240 V242	I70-V83 HydrophobicContact CG1-CG2 4.22Å; Q79-V83 PolarHBondContact O-N 3.17Å; Q79-V83 VanDerWaalsContact O-N 3.08Å; A80-V83 PolarHBondContact O-N 2.92Å; E81-V83 VanDerWaalsContact C-N 3.28Å; E81-V83 PolarHBondContact O-N 3.44Å; V83-R85 VanDerWaalsContact C-N 3.28Å; V83-R85 PolarHBondContact O-N 2.95Å; V83-V86 PolarHBondContact O-N 3.45Å; V83-K87 HydrophobicContact CG1-CG 4.29Å; V83-K87 WeakPolarHBondContact O-CG 3.06Å; V83-K87 PolarHBondContact O-N 3.02Å; V83-V220 HydrophobicContact CG1-CG1 3.85Å; V83-A222 HydrophobicContact CG2-CB 4.07Å; V83-L237 HydrophobicContact CG2-CD2 3.79Å; V83-A240 HydrophobicContact CB-CB 4.09Å; V83-A240 HydrophobicContact CG1-CB 3.79Å; V83-V242 HydrophobicContact CG1-CB 4.14Å
84	R	94	Very high	88.3	Confident	80 Å²	80	47 Å²	47	30%	0.302	23%	0.227	S	C	.	.	H	α-helix	trans	-57.6	-41.2	178.3	-70.4	-178.4	-149.8	103.9	5.6	111.9	A80 E81 V86 K87 K88 A240	A80-R84 WeakPolarHBondContact O-CG 3.08Å; A80-R84 PolarHBondContact O-N 3.43Å; E81-R84 PolarHBondContact O-N 3.19Å; E81-R84 IonicContact OE2-CZ 2.64Å; E81-R84 IonicContact OE2-NH1 3.24Å; E81-R84 PolarHBondContact OE2-NH1 3.02Å; R84-V86 VanDerWaalsContact C-N 3.28Å; R84-V86 PolarHBondContact O-N 3.07Å; R84-K87 PolarHBondContact O-N 2.73Å; R84-K88 VanDerWaalsContact O-CB 3.28Å; R84-K88 WeakPolarHBondContact O-CB 3.43Å; R84-K88 VanDerWaalsContact O-CG 3.32Å; R84-K88 WeakPolarHBondContact O-CG 3.4Å; R84-K88 PolarHBondContact O-N 3.01Å; R84-A240 HydrophobicContact CG-CB 3.83Å
85	R	92.6	Very high	87.1	Confident	104 Å²	104	49.4 Å²	49.4	39%	0.392	24%	0.243	S	C	.	.	H	α-helix	trans	-58.8	-39.4	177.1	-72.6	172.7	69.7	-157.9	0	111.8	A55 E81 E82 V83 H89	A55-R85 HydrophobicContact CB-CB 3.91Å; E81-R85 HydrophobicContact CG-CG 4.47Å; E81-R85 VanDerWaalsContact O-CG 3.25Å; E81-R85 WeakPolarHBondContact O-CG 3.09Å; E81-R85 PolarHBondContact O-N 3.46Å; E82-R85 VanDerWaalsContact CD-NH1 3.34Å; E82-R85 PolarHBondContact O-N 3.29Å; E82-R85 IonicContact OE1-CZ 3.38Å; E82-R85 IonicContact OE1-NH1 2.58Å; E82-R85 PolarHBondContact OE1-NH1 2.82Å; E82-R85 IonicContact OE2-NH1 2.75Å; E82-R85 PolarHBondContact OE2-NH1 3.19Å; V83-R85 VanDerWaalsContact C-N 3.28Å; V83-R85 PolarHBondContact O-N 2.95Å; R85-H89 PolarHBondContact O-N 2.88Å
86	V	95.1	Very high	86.2	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-69.3	-50.4	175.7	-175.9	0	0	0	0	110.7	A55 A58 I59 E82 V83 R84 K88 H89 L218 V220	A55-V86 HydrophobicContact CB-CG2 3.83Å; A58-V86 HydrophobicContact CB-CG2 3.78Å; I59-V86 HydrophobicContact CG1-CB 4.22Å; I59-V86 HydrophobicContact CG1-CG1 4.05Å; I59-V86 HydrophobicContact CG1-CG2 4.05Å; E82-V86 WeakPolarHBondContact O-CG2 3.42Å; E82-V86 PolarHBondContact O-N 3.13Å; V83-V86 PolarHBondContact O-N 3.45Å; R84-V86 VanDerWaalsContact C-N 3.28Å; R84-V86 PolarHBondContact O-N 3.07Å; V86-K88 PolarHBondContact O-N 3.42Å; V86-H89 WeakPolarHBondContact O-CB 3.41Å; V86-H89 PolarHBondContact O-N 3.09Å; V86-H89 VanDerWaalsContact O-N 3.1Å; V86-L218 HydrophobicContact CG1-CB 4.14Å; V86-V220 HydrophobicContact CB-CB 4.02Å; V86-V220 HydrophobicContact CB-CG1 4.36Å; V86-V220 HydrophobicContact CB-CG2 4.04Å; V86-V220 HydrophobicContact CG1-CB 3.75Å; V86-V220 HydrophobicContact CG1-CG1 4.43Å; V86-V220 HydrophobicContact CG1-CG2 4.09Å; V86-V220 HydrophobicContact CG2-CB 4.42Å; V86-V220 HydrophobicContact CG2-CG2 3.9Å
87	K	91.6	Very high	85.6	Confident	8 Å²	8	52.3 Å²	52.3	4%	0.035	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-29.3	-178.9	-61.6	-54.4	-62.1	-179.3	0	113.3	V83 R84 D213 L218 V220 G241 D243	V83-K87 HydrophobicContact CG1-CG 4.29Å; V83-K87 WeakPolarHBondContact O-CG 3.06Å; V83-K87 PolarHBondContact O-N 3.02Å; R84-K87 PolarHBondContact O-N 2.73Å; K87-D213 WeakPolarHBondContact CE-OD2 3.21Å; K87-D213 IonicContact NZ-OD2 2.69Å; K87-D213 PolarHBondContact NZ-OD2 3.43Å; K87-L218 WeakPolarHBondContact CD-O 3.41Å; K87-L218 WeakPolarHBondContact CE-O 3.19Å; K87-L218 PolarHBondContact NZ-O 3.13Å; K87-V220 HydrophobicContact CD-CG1 3.66Å; K87-V220 HydrophobicContact CG-CG1 4.11Å; K87-G241 WeakPolarHBondContact CD-O 3.12Å; K87-G241 WeakPolarHBondContact CE-O 3.21Å; K87-D243 IonicContact NZ-OD1 2.85Å; K87-D243 PolarHBondContact NZ-OD1 2.88Å; K87-D243 IonicContact NZ-OD2 3.54Å; K87-D243 PolarHBondContact NZ-OD2 2.7Å
88	K	86.1	Confident	85.3	Confident	155 Å²	155	50.3 Å²	50.3	67%	0.674	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-4.7	177.6	-67.1	-176.7	175.9	-171.2	0	114.2	R84 V86	R84-K88 VanDerWaalsContact O-CB 3.28Å; R84-K88 WeakPolarHBondContact O-CB 3.43Å; R84-K88 VanDerWaalsContact O-CG 3.32Å; R84-K88 WeakPolarHBondContact O-CG 3.4Å; R84-K88 PolarHBondContact O-N 3.01Å; V86-K88 PolarHBondContact O-N 3.42Å
89	H	83.7	Confident	85.1	Confident	62 Å²	62	47.4 Å²	47.4	29%	0.287	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-43.6	-174.3	-174	77.3	0	0	0	113.3	I59 Q63 R85 V86 K203 L218	I59-H89 HydrophobicContact CD1-CB 3.81Å; I59-H89 HydrophobicContact CG1-CB 3.88Å; I59-H89 HydrophobicContact CG2-CB 4.38Å; I59-H89 WeakPolarHBondContact CG2-CD2 3.35Å; Q63-H89 PolarHBondContact NE2-NE2 2.9Å; R85-H89 PolarHBondContact O-N 2.88Å; V86-H89 WeakPolarHBondContact O-CB 3.41Å; V86-H89 PolarHBondContact O-N 3.09Å; V86-H89 VanDerWaalsContact O-N 3.1Å; H89-K203 PolarHBondContact O-NZ 2.95Å; H89-L218 HydrophobicContact CB-CD1 4.29Å
90	E	71.9	Confident	85	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.009	24%	0.243	C	C	.	.	S	Bend	trans	-128.4	113.9	168.6	-74.5	177.5	-149	0	0	106.1	Q63 K203 K212 R217 L218	Q63-E90 PolarHBondContact NE2-OE1 2.89Å; E90-K203 HydrophobicContact CG-CB 4.01Å; E90-K203 HydrophobicContact CG-CD 3.87Å; E90-K212 WeakPolarHBondContact OE2-CE 3.45Å; E90-K212 IonicContact OE2-NZ 3.94Å; E90-K212 PolarHBondContact OE2-NZ 2.84Å; E90-R217 VanDerWaalsContact O-CA 3.3Å; E90-R217 WeakPolarHBondContact O-CA 3.17Å; E90-L218 HydrophobicContact CB-CG 4.21Å
91	S	61.8	Low	85	Confident	10 Å²	10	50.7 Å²	50.7	7%	0.07	26%	0.258	C	S	.	.			trans	-124.8	117.7	168	57.3	0	0	0	0	105.4	V93 V94 D200	S91-V93 VanDerWaalsContact CB-O 3.31Å; S91-V93 WeakPolarHBondContact CB-O 3.42Å; S91-V93 PolarHBondContact O-N 2.83Å; S91-V94 WeakPolarHBondContact OG-CA 3.46Å; S91-V94 VanDerWaalsContact OG-CG2 3.31Å; S91-V94 WeakPolarHBondContact OG-CG2 3.39Å; S91-D200 WeakPolarHBondContact O-CB 3.39Å
92	G	61.6	Low	85	Confident	29 Å²	29	48.6 Å²	48.6	30%	0.299	25%	0.251	S	S	.	.	S	Bend	trans	-53.8	-37.9	174	0	0	0	0	0	110.4	I196	G92-I196 WeakPolarHBondContact O-CG2 3.32Å
93	V	68.5	Low	84.9	Confident	56 Å²	56	53.7 Å²	53.7	34%	0.339	28%	0.283	S	S	.	.	S	Bend	trans	-124.9	122.1	167.3	-173.3	0	0	0	0	108.5	S91 T95 V185 I196	S91-V93 VanDerWaalsContact CB-O 3.31Å; S91-V93 WeakPolarHBondContact CB-O 3.42Å; S91-V93 PolarHBondContact O-N 2.83Å; V93-T95 PolarHBondContact O-N 2.78Å; V93-T95 VanDerWaalsContact O-N 3.09Å; V93-V185 HydrophobicContact CG1-CG2 3.69Å; V93-I196 HydrophobicContact CB-CG1 4.26Å; V93-I196 HydrophobicContact CG1-CG1 4.18Å; V93-I196 HydrophobicContact CG2-CD1 3.88Å; V93-I196 HydrophobicContact CG2-CG1 3.86Å
94	V	74.3	Confident	84.8	Confident	38 Å²	38	54.6 Å²	54.6	23%	0.23	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	103.2	166.5	-177.7	0	0	0	0	107.1	S91 P97 G194 M195	S91-V94 WeakPolarHBondContact OG-CA 3.46Å; S91-V94 VanDerWaalsContact OG-CG2 3.31Å; S91-V94 WeakPolarHBondContact OG-CG2 3.39Å; V94-P97 HydrophobicContact CG1-CB 4.15Å; V94-G194 CarbonylContact O-C 3.51Å; V94-G194 WeakPolarHBondContact O-CA 3.47Å; V94-M195 HydrophobicContact CB-CB 4.49Å; V94-M195 VanDerWaalsContact CB-O 3.29Å; V94-M195 WeakPolarHBondContact CB-O 3.28Å; V94-M195 WeakPolarHBondContact CG2-O 3.47Å; V94-M195 PolarHBondContact N-O 3.01Å; V94-M195 PolarHBondContact O-N 2.81Å
95	T	69.8	Low	84.9	Confident	82 Å²	82	52.7 Å²	52.7	50%	0.503	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	133.3	170.1	53.1	0	0	0	0	108.6	V93	V93-T95 PolarHBondContact O-N 2.78Å; V93-T95 VanDerWaalsContact O-N 3.09Å
96	D	77.5	Confident	85	Confident	146 Å²	146	48 Å²	48	78%	0.781	27%	0.268	S	S	*	.	S	Bend	trans	57.1	62.2	-174.6	-169	33.6	0	0	0	114.3
97	P	85.6	Confident	85	Confident	7 Å²	7	53.2 Å²	53.2	5%	0.045	29%	0.288	C	S	.	.			trans	-65	143.1	175.7	30.6	-36.1	0	0	0	110.2	V94 T99 P122 L192 M195	V94-P97 HydrophobicContact CG1-CB 4.15Å; P97-T99 WeakPolarHBondContact O-CG2 3.49Å; P97-T99 PolarHBondContact O-N 2.88Å; P97-P122 HydrophobicContact CB-CG 4.26Å; P97-P122 HydrophobicContact CG-CG 4.19Å; P97-L192 HydrophobicContact CG-CD2 3.69Å; P97-L192 HydrophobicContact CG-CG 4.24Å; P97-M195 HydrophobicContact CB-CB 4.02Å; P97-M195 HydrophobicContact CB-CE 4.25Å; P97-M195 HydrophobicContact CG-CB 4.15Å
98	Q	89.6	Confident	85.1	Confident	85 Å²	85	57.1 Å²	57.1	40%	0.397	31%	0.306	S	S	.	.			trans	-60.6	125.5	171.8	-72.7	-166	23.8	0	0	110.1	N116 F118 Y121 P122	Q98-N116 PolarHBondContact NE2-OD1 3.26Å; Q98-N116 PolarHBondContact OE1-ND2 3.14Å; Q98-F118 HydrophobicContact CB-CZ 4.39Å; Q98-Y121 HydrophobicContact CB-CD1 4.14Å; Q98-Y121 HydrophobicContact CB-CE1 4.14Å; Q98-Y121 WeakPolarHBondContact O-CD1 3.35Å; Q98-P122 VanDerWaalsContact O-CD 3.31Å; Q98-P122 WeakPolarHBondContact O-CD 3.35Å
99	T	94.6	Very high	85.5	Confident	56 Å²	56	50 Å²	50	34%	0.344	28%	0.275	S	S	.	.			trans	-110.2	169.4	-179.2	63.6	0	0	0	0	111.5	P97 P122 V124 L192	P97-T99 WeakPolarHBondContact O-CG2 3.49Å; P97-T99 PolarHBondContact O-N 2.88Å; T99-P122 VanDerWaalsContact CA-O 3.3Å; T99-P122 WeakPolarHBondContact CA-O 3.46Å; T99-P122 WeakPolarHBondContact CB-O 3.47Å; T99-P122 HydrophobicContact CG2-CB 4.26Å; T99-V124 HydrophobicContact CG2-CG1 4Å; T99-V124 HydrophobicContact CG2-CG2 4.08Å; T99-L192 HydrophobicContact CG2-CD2 3.5Å
100	V	96.3	Very high	85.9	Confident	7 Å²	7	52.1 Å²	52.1	4%	0.042	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-133.5	155.3	170.2	-65.2	0	0	0	0	109.4	T104 V109 L112 Y121 P122 V123 V124 I134 V149	V100-T104 HydrophobicContact CB-CG2 4.24Å; V100-T104 HydrophobicContact CG1-CG2 4.32Å; V100-V109 HydrophobicContact CG1-CG2 4.35Å; V100-L112 HydrophobicContact CG1-CD1 3.68Å; V100-Y121 HydrophobicContact CG1-CD1 4.38Å; V100-Y121 HydrophobicContact CG1-CG 4.16Å; V100-P122 PolarHBondContact N-O 2.94Å; V100-V123 HydrophobicContact CG2-CG2 3.98Å; V100-V123 VanDerWaalsContact O-CA 3.28Å; V100-V123 WeakPolarHBondContact O-CA 3.37Å; V100-V124 PolarHBondContact O-N 2.7Å; V100-I134 HydrophobicContact CG2-CG2 4.11Å; V100-V149 HydrophobicContact CG2-CG1 4.17Å; V100-V149 HydrophobicContact CG2-CG2 4.25Å
101	L	97.2	Very high	86.9	Confident	61 Å²	61	57.2 Å²	57.2	32%	0.319	31%	0.308	S	S	.	.			trans	-82.7	155.9	173	-61.5	177.5	0	0	0	111.1	T103 T104 V124 E126	L101-T103 PolarHBondContact O-N 2.89Å; L101-T103 VanDerWaalsContact O-N 3.13Å; L101-T104 WeakPolarHBondContact CA-OG1 3.42Å; L101-T104 PolarHBondContact N-OG1 3.18Å; L101-T104 WeakPolarHBondContact O-CB 3.47Å; L101-T104 PolarHBondContact O-N 3.03Å; L101-T104 PolarHBondContact O-OG1 2.94Å; L101-V124 WeakPolarHBondContact CD2-O 3.18Å; L101-E126 HydrophobicContact CD2-CG 4.48Å
102	P	96.7	Very high	88.3	Confident	32 Å²	32	58.2 Å²	58.2	21%	0.208	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.7	174.5	-26.7	34.5	0	0	0	113.7	V123 V124 V131 P148 V149 S150	P102-V123 HydrophobicContact CB-CG1 4.33Å; P102-V123 HydrophobicContact CG-CG1 3.87Å; P102-V124 VanDerWaalsContact CD-O 3.25Å; P102-V124 WeakPolarHBondContact CD-O 3.31Å; P102-V131 HydrophobicContact CG-CG2 3.77Å; P102-P148 WeakPolarHBondContact O-CB 3.47Å; P102-V149 PolarHBondContact O-N 3.38Å; P102-S150 WeakPolarHBondContact O-CB 3.33Å; P102-S150 PolarHBondContact O-N 2.79Å; P102-S150 PolarHBondContact O-OG 2.93Å
103	T	96.6	Very high	89.6	Confident	107 Å²	107	58.6 Å²	58.6	66%	0.656	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-13.3	179.9	50.1	0	0	0	0	113.7	L101 T105	L101-T103 PolarHBondContact O-N 2.89Å; L101-T103 VanDerWaalsContact O-N 3.13Å; T103-T105 PolarHBondContact O-N 3.44Å
104	T	95.8	Very high	90.5	Very high	20 Å²	20	62.4 Å²	62.4	12%	0.123	32%	0.323	C	S	.	.			trans	-56.2	134.7	177.1	-48.3	0	0	0	0	109.2	V100 L101 E108 V109 P148 V149	V100-T104 HydrophobicContact CB-CG2 4.24Å; V100-T104 HydrophobicContact CG1-CG2 4.32Å; L101-T104 WeakPolarHBondContact CA-OG1 3.42Å; L101-T104 PolarHBondContact N-OG1 3.18Å; L101-T104 WeakPolarHBondContact O-CB 3.47Å; L101-T104 PolarHBondContact O-N 3.03Å; L101-T104 PolarHBondContact O-OG1 2.94Å; T104-E108 HydrophobicContact CG2-CB 3.73Å; T104-E108 WeakPolarHBondContact CG2-OE2 3.46Å; T104-V109 HydrophobicContact CG2-CG2 4.16Å; T104-P148 CarbonylContact O-C 3.57Å; T104-P148 WeakPolarHBondContact O-CA 3.47Å; T104-V149 VanDerWaalsContact O-CG2 3.27Å; T104-V149 WeakPolarHBondContact O-CG2 3.39Å; T104-V149 PolarHBondContact O-N 2.71Å
105	T	96.3	Very high	91	Very high	40 Å²	40	69 Å²	69	25%	0.245	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-77.8	153.4	179.1	63.5	0	0	0	0	111.3	T103 R107 E108 V109 Q147	T103-T105 PolarHBondContact O-N 3.44Å; T105-R107 PolarHBondContact O-N 3.1Å; T105-E108 PolarHBondContact N-OE2 2.84Å; T105-E108 PolarHBondContact O-N 3Å; T105-E108 VanDerWaalsContact O-N 3.13Å; T105-E108 WeakPolarHBondContact OG1-CG 3.42Å; T105-E108 PolarHBondContact OG1-N 3.08Å; T105-E108 PolarHBondContact OG1-OE2 3.26Å; T105-V109 PolarHBondContact O-N 3.28Å; T105-V109 VanDerWaalsContact O-N 3.13Å; T105-Q147 WeakPolarHBondContact CA-O 3.42Å
106	L	94.9	Very high	91.7	Very high	4 Å²	4	67 Å²	67	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-63.1	-25.4	174.4	-64.1	-172.9	0	0	0	113.1	V109 K110 I134 V139 V142 L145 Q147 V149 Y152	L106-V109 PolarHBondContact O-N 3.04Å; L106-K110 WeakPolarHBondContact O-CB 3.47Å; L106-K110 PolarHBondContact O-N 3.06Å; L106-I134 HydrophobicContact CD2-CD1 3.53Å; L106-V139 HydrophobicContact CD1-CG1 4.43Å; L106-V139 HydrophobicContact CD2-CG1 3.72Å; L106-V142 HydrophobicContact CD1-CB 4.01Å; L106-V142 HydrophobicContact CD1-CG1 3.43Å; L106-V142 VanDerWaalsContact CD1-CG1 3.43Å; L106-V142 HydrophobicContact CD1-CG2 4.29Å; L106-L145 HydrophobicContact CB-CD2 4.18Å; L106-L145 PolarHBondContact N-O 2.72Å; L106-Q147 PolarHBondContact N-O 3.26Å; L106-V149 HydrophobicContact CD2-CG2 4.27Å; L106-Y152 HydrophobicContact CD1-CD2 3.63Å; L106-Y152 HydrophobicContact CD1-CE2 3.83Å; L106-Y152 HydrophobicContact CD1-CG 4.28Å; L106-Y152 HydrophobicContact CG-CD2 4.39Å
107	R	94.8	Very high	91.9	Very high	111 Å²	111	63.4 Å²	63.4	42%	0.419	33%	0.328	S	S	.	.	H	α-helix	trans	-59.4	-50.8	170.3	-176.3	-179.7	-54.9	-75.5	-5.7	111.4	T105 V109 K110 E111 L145 N146	T105-R107 PolarHBondContact O-N 3.1Å; R107-V109 VanDerWaalsContact C-N 3.33Å; R107-V109 PolarHBondContact O-N 2.69Å; R107-K110 WeakPolarHBondContact O-CB 3.34Å; R107-K110 PolarHBondContact O-N 3.03Å; R107-K110 VanDerWaalsContact O-N 3.14Å; R107-E111 WeakPolarHBondContact O-CG 3.32Å; R107-E111 PolarHBondContact O-N 3.29Å; R107-L145 HydrophobicContact CB-CB 4.19Å; R107-L145 PolarHBondContact N-O 2.86Å; R107-N146 PolarHBondContact NH2-OD1 3.36Å
108	E	94.3	Very high	91.8	Very high	89 Å²	89	67.2 Å²	67.2	42%	0.416	34%	0.344	S	S	.	.	H	α-helix	trans	-62.7	-40.7	177.8	-70.3	162.7	134.3	0	0	111.2	T104 T105 K110 E111 L112	T104-E108 HydrophobicContact CG2-CB 3.73Å; T104-E108 WeakPolarHBondContact CG2-OE2 3.46Å; T105-E108 PolarHBondContact N-OE2 2.84Å; T105-E108 PolarHBondContact O-N 3Å; T105-E108 VanDerWaalsContact O-N 3.13Å; T105-E108 WeakPolarHBondContact OG1-CG 3.42Å; T105-E108 PolarHBondContact OG1-N 3.08Å; T105-E108 PolarHBondContact OG1-OE2 3.26Å; E108-K110 VanDerWaalsContact C-N 3.28Å; E108-K110 PolarHBondContact O-N 3.21Å; E108-E111 PolarHBondContact O-N 3.44Å; E108-L112 WeakPolarHBondContact O-CB 3.31Å; E108-L112 VanDerWaalsContact O-CG 3.28Å; E108-L112 WeakPolarHBondContact O-CG 3.43Å; E108-L112 PolarHBondContact O-N 3.48Å
109	V	94	Very high	91.5	Very high	5 Å²	5	65.1 Å²	65.1	3%	0.03	34%	0.341	C	S	.	.	H	α-helix	trans	-61.2	-37.3	174.9	178	0	0	0	0	112.1	V100 T104 T105 L106 R107 T113 Y121 I134 V149	V100-V109 HydrophobicContact CG1-CG2 4.35Å; T104-V109 HydrophobicContact CG2-CG2 4.16Å; T105-V109 PolarHBondContact O-N 3.28Å; T105-V109 VanDerWaalsContact O-N 3.13Å; L106-V109 PolarHBondContact O-N 3.04Å; R107-V109 VanDerWaalsContact C-N 3.33Å; R107-V109 PolarHBondContact O-N 2.69Å; V109-T113 WeakPolarHBondContact O-CB 3.32Å; V109-T113 PolarHBondContact O-N 3.37Å; V109-T113 PolarHBondContact O-OG1 2.86Å; V109-Y121 HydrophobicContact CG1-CD2 4.06Å; V109-Y121 HydrophobicContact CG1-CE2 4.25Å; V109-I134 HydrophobicContact CG1-CG2 4.37Å; V109-V149 HydrophobicContact CG2-CG2 3.46Å; V109-V149 VanDerWaalsContact CG2-CG2 3.46Å
110	K	92	Very high	91.3	Very high	107 Å²	107	62.6 Å²	62.6	47%	0.465	33%	0.326	S	S	.	.	H	α-helix	trans	-66.3	-45.4	176.1	-175.4	-179.4	174.6	-174.2	0	111.1	L106 R107 E108 L112 T113 E114 L145	L106-K110 WeakPolarHBondContact O-CB 3.47Å; L106-K110 PolarHBondContact O-N 3.06Å; R107-K110 WeakPolarHBondContact O-CB 3.34Å; R107-K110 PolarHBondContact O-N 3.03Å; R107-K110 VanDerWaalsContact O-N 3.14Å; E108-K110 VanDerWaalsContact C-N 3.28Å; E108-K110 PolarHBondContact O-N 3.21Å; K110-L112 VanDerWaalsContact C-N 3.35Å; K110-L112 PolarHBondContact O-N 2.85Å; K110-T113 WeakPolarHBondContact O-CB 3.48Å; K110-T113 PolarHBondContact O-N 3.45Å; K110-T113 VanDerWaalsContact O-N 3.14Å; K110-E114 WeakPolarHBondContact CE-OE1 3.47Å; K110-E114 WeakPolarHBondContact O-CG 3.46Å; K110-E114 PolarHBondContact O-N 3.24Å; K110-L145 HydrophobicContact CD-CD1 4.17Å
111	E	92.3	Very high	91.2	Very high	110 Å²	110	62.3 Å²	62.3	51%	0.514	32%	0.324	S	S	.	.	H	α-helix	trans	-61.1	-42.9	175.7	-69.4	169.6	-171.7	0	0	111.6	R107 E108 T113 E114 R115	R107-E111 WeakPolarHBondContact O-CG 3.32Å; R107-E111 PolarHBondContact O-N 3.29Å; E108-E111 PolarHBondContact O-N 3.44Å; E111-T113 VanDerWaalsContact C-N 3.33Å; E111-T113 PolarHBondContact O-N 2.95Å; E111-E114 PolarHBondContact O-N 3.5Å; E111-R115 VanDerWaalsContact O-CB 3.32Å; E111-R115 WeakPolarHBondContact O-CB 3.49Å; E111-R115 PolarHBondContact O-N 2.91Å
112	L	91.2	Very high	91.1	Very high	31 Å²	31	59.4 Å²	59.4	16%	0.162	31%	0.309	C	S	.	.	H	α-helix	trans	-58.7	-44.6	172.2	-72	175	0	0	0	111.4	V100 E108 K110 R115 N116 Y121	V100-L112 HydrophobicContact CG1-CD1 3.68Å; E108-L112 WeakPolarHBondContact O-CB 3.31Å; E108-L112 VanDerWaalsContact O-CG 3.28Å; E108-L112 WeakPolarHBondContact O-CG 3.43Å; E108-L112 PolarHBondContact O-N 3.48Å; K110-L112 VanDerWaalsContact C-N 3.35Å; K110-L112 PolarHBondContact O-N 2.85Å; L112-R115 PolarHBondContact O-N 3.01Å; L112-N116 WeakPolarHBondContact O-CB 3.31Å; L112-N116 PolarHBondContact O-N 2.94Å; L112-N116 PolarHBondContact O-ND2 3.45Å; L112-N116 VanDerWaalsContact O-ND2 3.09Å; L112-Y121 VanDerWaalsContact C-OH 3.27Å; L112-Y121 HydrophobicContact CB-CE1 4.3Å; L112-Y121 HydrophobicContact CB-CE2 4.44Å; L112-Y121 PolarHBondContact O-OH 3.11Å
113	T	89.7	Confident	91.1	Very high	37 Å²	37	57.9 Å²	57.9	23%	0.227	30%	0.299	C	S	.	.	H	α-helix	trans	-62.8	-43.4	179.2	-60.6	0	0	0	0	112.1	V109 K110 E111 G117 A119 Y121	V109-T113 WeakPolarHBondContact O-CB 3.32Å; V109-T113 PolarHBondContact O-N 3.37Å; V109-T113 PolarHBondContact O-OG1 2.86Å; K110-T113 WeakPolarHBondContact O-CB 3.48Å; K110-T113 PolarHBondContact O-N 3.45Å; K110-T113 VanDerWaalsContact O-N 3.14Å; E111-T113 VanDerWaalsContact C-N 3.33Å; E111-T113 PolarHBondContact O-N 2.95Å; T113-G117 WeakPolarHBondContact O-CA 3.47Å; T113-G117 PolarHBondContact O-N 3.41Å; T113-A119 HydrophobicContact CG2-CB 3.76Å; T113-Y121 PolarHBondContact N-OH 3.23Å
114	E	87.4	Confident	91.2	Very high	136 Å²	136	53 Å²	53	64%	0.636	27%	0.269	S	S	*	.	H	α-helix	trans	-65.3	-41.1	176.8	-72.3	173.9	-175.8	0	0	111.4	K110 E111	K110-E114 WeakPolarHBondContact CE-OE1 3.47Å; K110-E114 WeakPolarHBondContact O-CG 3.46Å; K110-E114 PolarHBondContact O-N 3.24Å; E111-E114 PolarHBondContact O-N 3.5Å
115	R	85.4	Confident	91.2	Very high	175 Å²	175	53.4 Å²	53.4	66%	0.66	27%	0.271	S	S	*	.	H	α-helix	trans	-68	-43	177.9	-173.3	177.6	72.2	-172.6	5.5	112.9	E111 L112	E111-R115 VanDerWaalsContact O-CB 3.32Å; E111-R115 WeakPolarHBondContact O-CB 3.49Å; E111-R115 PolarHBondContact O-N 2.91Å; L112-R115 PolarHBondContact O-N 3.01Å
116	N	83.4	Confident	91.1	Very high	41 Å²	41	59.7 Å²	59.7	22%	0.219	30%	0.298	C	S	.	.	H	α-helix	trans	-95.1	-19.6	-170	-61.4	-31	0	0	0	113.7	Q98 L112 F118 Y121	Q98-N116 PolarHBondContact NE2-OD1 3.26Å; Q98-N116 PolarHBondContact OE1-ND2 3.14Å; L112-N116 WeakPolarHBondContact O-CB 3.31Å; L112-N116 PolarHBondContact O-N 2.94Å; L112-N116 PolarHBondContact O-ND2 3.45Å; L112-N116 VanDerWaalsContact O-ND2 3.09Å; N116-F118 VanDerWaalsContact C-N 3.33Å; N116-F118 HydrophobicContact CB-CD1 3.79Å; N116-F118 HydrophobicContact CB-CE1 3.5Å; N116-F118 HydrophobicContact CB-CZ 4.01Å; N116-F118 WeakPolarHBondContact O-CD1 3.46Å; N116-F118 PolarHBondContact O-N 3.35Å; N116-Y121 PolarHBondContact ND2-OH 3.24Å
117	G	82	Confident	91	Very high	71 Å²	71	65.8 Å²	65.8	73%	0.732	33%	0.326	S	S	*	.	S	Bend	trans	76.8	10.7	-178.7	0	0	0	0	0	115.4	T113	T113-G117 WeakPolarHBondContact O-CA 3.47Å; T113-G117 PolarHBondContact O-N 3.41Å
118	F	83.2	Confident	90.9	Very high	87 Å²	87	63.6 Å²	63.6	38%	0.382	32%	0.323	S	S	.	.			trans	-136.2	147.7	175	65.6	-97	0	0	0	112.3	Q98 N116 Y121	Q98-F118 HydrophobicContact CB-CZ 4.39Å; N116-F118 VanDerWaalsContact C-N 3.33Å; N116-F118 HydrophobicContact CB-CD1 3.79Å; N116-F118 HydrophobicContact CB-CE1 3.5Å; N116-F118 HydrophobicContact CB-CZ 4.01Å; N116-F118 WeakPolarHBondContact O-CD1 3.46Å; N116-F118 PolarHBondContact O-N 3.35Å; F118-Y121 HydrophobicContact CD2-CE1 4.31Å; F118-Y121 HydrophobicContact CE2-CD1 4.08Å; F118-Y121 AromaticContact CE2-CE1 3.44Å; F118-Y121 HydrophobicContact CE2-CE1 3.44Å; F118-Y121 VanDerWaalsContact CE2-CE1 3.44Å; F118-Y121 HydrophobicContact CE2-CE2 4.47Å; F118-Y121 AromaticContact CE2-CZ 3.66Å; F118-Y121 AromaticContact CZ-CE1 3.93Å; F118-Y121 HydrophobicContact CZ-CE1 3.93Å; F118-Y121 PolarHBondContact O-OH 3.39Å
119	A	83.5	Confident	91	Very high	41 Å²	41	62.6 Å²	62.6	34%	0.339	32%	0.318	S	S	.	.			trans	-115	78.1	-174.4	0	0	0	0	0	111.1	T113 G136	T113-A119 HydrophobicContact CG2-CB 3.76Å; A119-G136 PolarHBondContact O-N 3.47Å
120	G	89.8	Confident	91.1	Very high	2 Å²	2	62.3 Å²	62.3	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	104.9	-171.1	0	0	0	0	0	114.7	I134	G120-I134 CarbonylContact C-O 3.56Å; G120-I134 VanDerWaalsContact CA-O 3.28Å; G120-I134 WeakPolarHBondContact CA-O 3.48Å
121	Y	94.3	Very high	91.4	Very high	1 Å²	1	58.5 Å²	58.5	0%	0.004	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123.9	-173.5	-58.3	-86.4	0	0	0	110	Q98 V100 V109 L112 T113 N116 F118 I133 I134	Q98-Y121 HydrophobicContact CB-CD1 4.14Å; Q98-Y121 HydrophobicContact CB-CE1 4.14Å; Q98-Y121 WeakPolarHBondContact O-CD1 3.35Å; V100-Y121 HydrophobicContact CG1-CD1 4.38Å; V100-Y121 HydrophobicContact CG1-CG 4.16Å; V109-Y121 HydrophobicContact CG1-CD2 4.06Å; V109-Y121 HydrophobicContact CG1-CE2 4.25Å; L112-Y121 VanDerWaalsContact C-OH 3.27Å; L112-Y121 HydrophobicContact CB-CE1 4.3Å; L112-Y121 HydrophobicContact CB-CE2 4.44Å; L112-Y121 PolarHBondContact O-OH 3.11Å; T113-Y121 PolarHBondContact N-OH 3.23Å; N116-Y121 PolarHBondContact ND2-OH 3.24Å; F118-Y121 HydrophobicContact CD2-CE1 4.31Å; F118-Y121 HydrophobicContact CE2-CD1 4.08Å; F118-Y121 AromaticContact CE2-CE1 3.44Å; F118-Y121 HydrophobicContact CE2-CE1 3.44Å; F118-Y121 VanDerWaalsContact CE2-CE1 3.44Å; F118-Y121 HydrophobicContact CE2-CE2 4.47Å; F118-Y121 AromaticContact CE2-CZ 3.66Å; F118-Y121 AromaticContact CZ-CE1 3.93Å; F118-Y121 HydrophobicContact CZ-CE1 3.93Å; F118-Y121 PolarHBondContact O-OH 3.39Å; Y121-I133 WeakPolarHBondContact O-CG1 3.5Å; Y121-I134 PolarHBondContact N-O 3.23Å; Y121-I134 PolarHBondContact O-N 3.04Å
122	P	95.9	Very high	91.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	142.8	164.2	-19.8	33.8	0	0	0	109.9	P97 Q98 T99 V100 L130 L184 L192 M195	P97-P122 HydrophobicContact CB-CG 4.26Å; P97-P122 HydrophobicContact CG-CG 4.19Å; Q98-P122 VanDerWaalsContact O-CD 3.31Å; Q98-P122 WeakPolarHBondContact O-CD 3.35Å; T99-P122 VanDerWaalsContact CA-O 3.3Å; T99-P122 WeakPolarHBondContact CA-O 3.46Å; T99-P122 WeakPolarHBondContact CB-O 3.47Å; T99-P122 HydrophobicContact CG2-CB 4.26Å; V100-P122 PolarHBondContact N-O 2.94Å; P122-L130 HydrophobicContact CB-CD1 4.14Å; P122-L184 HydrophobicContact CB-CD2 3.99Å; P122-L184 HydrophobicContact CG-CD2 3.66Å; P122-L192 HydrophobicContact CB-CD1 4.4Å; P122-L192 HydrophobicContact CB-CD2 3.43Å; P122-L192 VanDerWaalsContact CB-CD2 3.43Å; P122-L192 HydrophobicContact CG-CD2 3.8Å; P122-M195 HydrophobicContact CG-SD 4.15Å
123	V	97.3	Very high	91.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119	178.7	-168.5	0	0	0	0	108.2	V100 P102 V131 G132 I134 V149 M153	V100-V123 HydrophobicContact CG2-CG2 3.98Å; V100-V123 VanDerWaalsContact O-CA 3.28Å; V100-V123 WeakPolarHBondContact O-CA 3.37Å; P102-V123 HydrophobicContact CB-CG1 4.33Å; P102-V123 HydrophobicContact CG-CG1 3.87Å; V123-V131 HydrophobicContact CB-CG2 4.24Å; V123-V131 HydrophobicContact CG1-CG2 3.92Å; V123-V131 WeakPolarHBondContact O-CG2 3.34Å; V123-V131 PolarHBondContact O-N 2.91Å; V123-G132 PolarHBondContact N-O 3.34Å; V123-G132 PolarHBondContact O-N 3.39Å; V123-I134 HydrophobicContact CG2-CB 4.45Å; V123-I134 HydrophobicContact CG2-CG2 4.42Å; V123-V149 HydrophobicContact CB-CG1 4.39Å; V123-V149 HydrophobicContact CG1-CG1 3.94Å; V123-V149 HydrophobicContact CG2-CG1 3.49Å; V123-V149 VanDerWaalsContact CG2-CG1 3.49Å; V123-M153 HydrophobicContact CB-SD 3.88Å; V123-M153 HydrophobicContact CG1-SD 3.76Å; V123-M153 HydrophobicContact CG2-CB 4.16Å; V123-M153 HydrophobicContact CG2-SD 3.88Å
124	V	97	Very high	92.1	Very high	6 Å²	6	50.9 Å²	50.9	4%	0.036	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	153.9	-176.3	-59	0	0	0	0	111.6	T99 V100 L101 P102 E129 L130 L192	T99-V124 HydrophobicContact CG2-CG1 4Å; T99-V124 HydrophobicContact CG2-CG2 4.08Å; V100-V124 PolarHBondContact O-N 2.7Å; L101-V124 WeakPolarHBondContact CD2-O 3.18Å; P102-V124 VanDerWaalsContact CD-O 3.25Å; P102-V124 WeakPolarHBondContact CD-O 3.31Å; V124-E129 CarbonylContact C-O 3.58Å; V124-E129 WeakPolarHBondContact CA-O 3.49Å; V124-L130 HydrophobicContact CG1-CD1 4.37Å; V124-L192 HydrophobicContact CG1-CB 3.92Å; V124-L192 HydrophobicContact CG1-CD2 3.87Å
125	T	96.5	Very high	92.3	Very high	28 Å²	28	46 Å²	46	17%	0.172	24%	0.243	C	C	.	.			trans	-74	177.2	169.4	71.2	0	0	0	0	111.5	E127 N128 E129 V131	T125-E127 VanDerWaalsContact CB-OE2 3.31Å; T125-E127 WeakPolarHBondContact CB-OE2 3.31Å; T125-E127 PolarHBondContact O-N 3.39Å; T125-E127 PolarHBondContact OG1-N 3.22Å; T125-E127 PolarHBondContact OG1-OE2 3.14Å; T125-N128 PolarHBondContact O-N 2.91Å; T125-E129 HydrophobicContact CG2-CB 4.03Å; T125-E129 PolarHBondContact N-O 3.04Å; T125-E129 WeakPolarHBondContact OG1-CB 3.29Å; T125-E129 PolarHBondContact OG1-N 2.77Å; T125-V131 HydrophobicContact CG2-CG1 3.67Å
126	E	93.3	Very high	92.5	Very high	171 Å²	171	38.6 Å²	38.6	80%	0.799	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-27.4	173.5	-64.7	-171.7	177.7	0	0	111.9	L101 N128	L101-E126 HydrophobicContact CD2-CG 4.48Å; E126-N128 VanDerWaalsContact C-N 3.25Å; E126-N128 PolarHBondContact O-N 3.09Å
127	E	93.5	Very high	92.8	Very high	132 Å²	132	44.4 Å²	44.4	62%	0.617	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	10	174.4	-53.6	76.8	-168.6	0	0	113.4	T125 E129 H191	T125-E127 VanDerWaalsContact CB-OE2 3.31Å; T125-E127 WeakPolarHBondContact CB-OE2 3.31Å; T125-E127 PolarHBondContact O-N 3.39Å; T125-E127 PolarHBondContact OG1-N 3.22Å; T125-E127 PolarHBondContact OG1-OE2 3.14Å; E127-E129 PolarHBondContact O-N 3.03Å; E127-H191 PolarHBondContact O-CD2 3.22Å; E127-H191 VanDerWaalsContact O-CD2 3.24Å; E127-H191 PolarHBondContact O-NE2 3.49Å
128	N	93	Very high	93.2	Very high	66 Å²	66	43.2 Å²	43.2	35%	0.353	22%	0.217	S	C	.	.			trans	66.4	15.9	-177.8	-164.8	43.7	0	0	0	115.2	T125 E126 L130 H191 L192	T125-N128 PolarHBondContact O-N 2.91Å; E126-N128 VanDerWaalsContact C-N 3.25Å; E126-N128 PolarHBondContact O-N 3.09Å; N128-L130 PolarHBondContact O-N 2.84Å; N128-H191 VanDerWaalsContact O-CA 3.29Å; N128-H191 WeakPolarHBondContact O-CA 3.49Å; N128-L192 PolarHBondContact ND2-O 2.98Å; N128-L192 PolarHBondContact O-N 3.17Å
129	E	96.5	Very high	93.5	Very high	67 Å²	67	40.9 Å²	40.9	31%	0.313	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-70.6	128.1	175.4	-169.8	-166.3	163.1	0	0	109.7	V124 T125 E127 V131 K156	V124-E129 CarbonylContact C-O 3.58Å; V124-E129 WeakPolarHBondContact CA-O 3.49Å; T125-E129 HydrophobicContact CG2-CB 4.03Å; T125-E129 PolarHBondContact N-O 3.04Å; T125-E129 WeakPolarHBondContact OG1-CB 3.29Å; T125-E129 PolarHBondContact OG1-N 2.77Å; E127-E129 PolarHBondContact O-N 3.03Å; E129-V131 PolarHBondContact O-N 3.37Å; E129-K156 IonicContact OE1-NZ 3.18Å; E129-K156 PolarHBondContact OE1-NZ 3.06Å
130	L	97	Very high	93.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	117.7	179.3	178.1	66.6	0	0	0	111.5	P122 V124 N128 G132 L159 T161 L184 V186 F190 L192	P122-L130 HydrophobicContact CB-CD1 4.14Å; V124-L130 HydrophobicContact CG1-CD1 4.37Å; N128-L130 PolarHBondContact O-N 2.84Å; L130-G132 WeakPolarHBondContact CD1-O 3.28Å; L130-L159 HydrophobicContact CD1-CD1 4.23Å; L130-L159 HydrophobicContact CD2-CD1 3.79Å; L130-L159 HydrophobicContact CG-CD1 3.75Å; L130-T161 HydrophobicContact CD2-CG2 3.95Å; L130-L184 HydrophobicContact CD1-CD1 3.91Å; L130-L184 HydrophobicContact CD2-CB 3.73Å; L130-L184 HydrophobicContact CD2-CD1 3.66Å; L130-L184 HydrophobicContact CD2-CG 4.28Å; L130-L184 HydrophobicContact CG-CD1 4.32Å; L130-V186 HydrophobicContact CB-CG1 4.25Å; L130-V186 HydrophobicContact CD2-CG1 3.5Å; L130-V186 VanDerWaalsContact CD2-CG1 3.5Å; L130-F190 HydrophobicContact CB-CD1 3.89Å; L130-F190 HydrophobicContact CB-CE1 3.93Å; L130-F190 HydrophobicContact CD2-CE1 4.02Å; L130-F190 HydrophobicContact CG-CE1 4.12Å; L130-F190 PolarHBondContact N-O 3.36Å; L130-F190 VanDerWaalsContact O-CD1 3.31Å; L130-F190 WeakPolarHBondContact O-CD1 3.43Å; L130-F190 VanDerWaalsContact O-CE1 3.25Å; L130-F190 WeakPolarHBondContact O-CE1 3.38Å; L130-L192 HydrophobicContact CB-CB 4.41Å; L130-L192 HydrophobicContact CD1-CD1 4.27Å; L130-L192 HydrophobicContact CD2-CD1 4.31Å
131	V	97	Very high	93.7	Very high	27 Å²	27	55.2 Å²	55.2	16%	0.164	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-12.4	-177.7	-63.9	0	0	0	0	114.2	P102 V123 T125 E129 M153 K156	P102-V131 HydrophobicContact CG-CG2 3.77Å; V123-V131 HydrophobicContact CB-CG2 4.24Å; V123-V131 HydrophobicContact CG1-CG2 3.92Å; V123-V131 WeakPolarHBondContact O-CG2 3.34Å; V123-V131 PolarHBondContact O-N 2.91Å; T125-V131 HydrophobicContact CG2-CG1 3.67Å; E129-V131 PolarHBondContact O-N 3.37Å; V131-M153 HydrophobicContact CG2-CE 4.48Å; V131-K156 PolarHBondContact O-N 2.97Å
132	G	96.5	Very high	93.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	-173.4	178.6	0	0	0	0	0	115.1	V123 L130 T154	V123-G132 PolarHBondContact N-O 3.34Å; V123-G132 PolarHBondContact O-N 3.39Å; L130-G132 WeakPolarHBondContact CD1-O 3.28Å; G132-T154 CarbonylContact C-O 3.51Å; G132-T154 WeakPolarHBondContact CA-O 3.41Å
133	I	95.9	Very high	93.2	Very high	16 Å²	16	62.9 Å²	62.9	8%	0.082	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	139.3	166.5	-167.4	174.1	0	0	0	109.3	Y121 T135 T154 L159 K182 L184	Y121-I133 WeakPolarHBondContact O-CG1 3.5Å; I133-T135 HydrophobicContact CD1-CG2 4.49Å; I133-T135 HydrophobicContact CG1-CG2 4.38Å; I133-T154 HydrophobicContact CG2-CG2 4.41Å; I133-T154 PolarHBondContact N-O 3.4Å; I133-T154 PolarHBondContact O-N 3.39Å; I133-L159 HydrophobicContact CB-CD2 4Å; I133-L159 HydrophobicContact CG2-CD2 3.53Å; I133-K182 HydrophobicContact CD1-CB 4.27Å; I133-K182 HydrophobicContact CD1-CD 3.79Å; I133-L184 HydrophobicContact CB-CD1 4.26Å; I133-L184 HydrophobicContact CD1-CD1 4.4Å; I133-L184 HydrophobicContact CD1-CD2 4.31Å
134	I	95.2	Very high	93	Very high	2 Å²	2	65.8 Å²	65.8	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.7	171.1	-164.4	166.8	0	0	0	110.3	V100 L106 V109 G120 Y121 V123 D138 V139 V149 M153	V100-I134 HydrophobicContact CG2-CG2 4.11Å; L106-I134 HydrophobicContact CD2-CD1 3.53Å; V109-I134 HydrophobicContact CG1-CG2 4.37Å; G120-I134 CarbonylContact C-O 3.56Å; G120-I134 VanDerWaalsContact CA-O 3.28Å; G120-I134 WeakPolarHBondContact CA-O 3.48Å; Y121-I134 PolarHBondContact N-O 3.23Å; Y121-I134 PolarHBondContact O-N 3.04Å; V123-I134 HydrophobicContact CG2-CB 4.45Å; V123-I134 HydrophobicContact CG2-CG2 4.42Å; I134-D138 HydrophobicContact CG1-CB 4.22Å; I134-V139 HydrophobicContact CD1-CG1 3.51Å; I134-V139 HydrophobicContact CG1-CG1 3.89Å; I134-V149 HydrophobicContact CB-CG1 4.18Å; I134-V149 HydrophobicContact CD1-CB 4.31Å; I134-V149 HydrophobicContact CD1-CG1 4.06Å; I134-V149 HydrophobicContact CD1-CG2 3.88Å; I134-V149 HydrophobicContact CG2-CG1 4.22Å; I134-M153 HydrophobicContact CB-CB 4.44Å
135	T	92.3	Very high	92.7	Very high	32 Å²	32	67.5 Å²	67.5	20%	0.196	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	162.6	-175.9	74.7	0	0	0	0	111.4	I133 R137 D138 V139	I133-T135 HydrophobicContact CD1-CG2 4.49Å; I133-T135 HydrophobicContact CG1-CG2 4.38Å; T135-R137 PolarHBondContact O-N 3.44Å; T135-R137 PolarHBondContact OG1-N 3Å; T135-D138 WeakPolarHBondContact CA-OD2 3.41Å; T135-D138 WeakPolarHBondContact CB-OD2 3.4Å; T135-D138 PolarHBondContact N-OD2 3.16Å; T135-D138 PolarHBondContact O-N 2.86Å; T135-D138 PolarHBondContact OG1-OD2 2.99Å; T135-V139 PolarHBondContact O-N 2.85Å
136	G	89.1	Confident	92.6	Very high	20 Å²	20	71.1 Å²	71.1	21%	0.206	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-9.3	173.7	0	0	0	0	0	114.8	A119 R140	A119-G136 PolarHBondContact O-N 3.47Å; G136-R140 WeakPolarHBondContact O-CB 3.38Å
137	R	89.7	Confident	92.7	Very high	163 Å²	163	66.1 Å²	66.1	62%	0.615	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-35.6	171.1	-66.4	-173.3	-171.2	175.1	7.3	111.6	T135 V139 E181	T135-R137 PolarHBondContact O-N 3.44Å; T135-R137 PolarHBondContact OG1-N 3Å; R137-V139 VanDerWaalsContact C-N 3.35Å; R137-V139 PolarHBondContact O-N 3.5Å; R137-E181 IonicContact NH2-OE1 3.66Å; R137-E181 PolarHBondContact NH2-OE1 3.46Å
138	D	90.7	Very high	92.9	Very high	47 Å²	47	61.7 Å²	61.7	25%	0.251	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-36.1	-177.2	-53.7	-46.7	0	0	0	111.7	I134 T135	I134-D138 HydrophobicContact CG1-CB 4.22Å; T135-D138 WeakPolarHBondContact CA-OD2 3.41Å; T135-D138 WeakPolarHBondContact CB-OD2 3.4Å; T135-D138 PolarHBondContact N-OD2 3.16Å; T135-D138 PolarHBondContact O-N 2.86Å; T135-D138 PolarHBondContact OG1-OD2 2.99Å
139	V	89.7	Confident	93	Very high	37 Å²	37	58.5 Å²	58.5	22%	0.224	29%	0.292	C	S	.	.	S	Bend	trans	-98.9	-5.2	-175.6	-58.2	0	0	0	0	114.5	L106 I134 T135 R137 F141 V142	L106-V139 HydrophobicContact CD1-CG1 4.43Å; L106-V139 HydrophobicContact CD2-CG1 3.72Å; I134-V139 HydrophobicContact CD1-CG1 3.51Å; I134-V139 HydrophobicContact CG1-CG1 3.89Å; T135-V139 PolarHBondContact O-N 2.85Å; R137-V139 VanDerWaalsContact C-N 3.35Å; R137-V139 PolarHBondContact O-N 3.5Å; V139-F141 PolarHBondContact O-N 2.84Å; V139-F141 VanDerWaalsContact O-N 3.09Å; V139-V142 PolarHBondContact O-N 3.15Å; V139-V142 VanDerWaalsContact O-N 3.14Å
140	R	87.4	Confident	93	Very high	163 Å²	163	58 Å²	58	62%	0.615	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-36.3	-167.5	-174.8	170.1	-68.9	-178.5	-5	114.1	G136	G136-R140 WeakPolarHBondContact O-CB 3.38Å
141	F	89.9	Confident	92.9	Very high	181 Å²	181	62 Å²	62	79%	0.794	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.1	13.2	-174.5	-56	-65	0	0	0	112.3	V139	V139-F141 PolarHBondContact O-N 2.84Å; V139-F141 VanDerWaalsContact O-N 3.09Å
142	V	89.2	Confident	92.7	Very high	25 Å²	25	64.7 Å²	64.7	15%	0.152	33%	0.327	C	S	.	.			trans	-79.7	126.5	178.2	-176.7	0	0	0	0	109.3	L106 V139 Y152	L106-V142 HydrophobicContact CD1-CB 4.01Å; L106-V142 HydrophobicContact CD1-CG1 3.43Å; L106-V142 VanDerWaalsContact CD1-CG1 3.43Å; L106-V142 HydrophobicContact CD1-CG2 4.29Å; V139-V142 PolarHBondContact O-N 3.15Å; V139-V142 VanDerWaalsContact O-N 3.14Å; V142-Y152 HydrophobicContact CB-CE1 4.5Å; V142-Y152 HydrophobicContact CG1-CE1 4.1Å; V142-Y152 HydrophobicContact CG1-CE2 4Å; V142-Y152 HydrophobicContact CG2-CD1 3.66Å; V142-Y152 HydrophobicContact CG2-CE1 3.55Å; V142-Y152 HydrophobicContact CG2-CG 4.23Å
143	T	90.2	Very high	92.7	Very high	138 Å²	138	66.2 Å²	66.2	85%	0.847	34%	0.335	S	S	*	.			trans	-95.8	-37.2	-178.5	50	0	0	0	0	112.4	L145	T143-L145 PolarHBondContact O-N 3.05Å
144	D	93.1	Very high	92.6	Very high	61 Å²	61	66.7 Å²	66.7	33%	0.326	34%	0.339	S	S	.	.			trans	-84.2	95.4	175.7	-175	7.2	0	0	0	111	N146 Q147	D144-N146 PolarHBondContact O-N 3.21Å; D144-N146 WeakPolarHBondContact OD1-CB 3.26Å; D144-N146 PolarHBondContact OD1-N 3.08Å; D144-Q147 HydrophobicContact CB-CG 4.15Å; D144-Q147 WeakPolarHBondContact OD2-CG 3.38Å; D144-Q147 PolarHBondContact OD2-NE2 3.31Å
145	L	91.7	Very high	92.6	Very high	41 Å²	41	68 Å²	68	22%	0.215	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-2.5	-179.8	-60.6	-179.7	0	0	0	113.9	L106 R107 K110 T143	L106-L145 HydrophobicContact CB-CD2 4.18Å; L106-L145 PolarHBondContact N-O 2.72Å; R107-L145 HydrophobicContact CB-CB 4.19Å; R107-L145 PolarHBondContact N-O 2.86Å; K110-L145 HydrophobicContact CD-CD1 4.17Å; T143-L145 PolarHBondContact O-N 3.05Å
146	N	94.5	Very high	92.7	Very high	105 Å²	105	70 Å²	70	56%	0.561	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-8	178.6	-58.6	-33.4	0	0	0	112.6	R107 D144	R107-N146 PolarHBondContact NH2-OD1 3.36Å; D144-N146 PolarHBondContact O-N 3.21Å; D144-N146 WeakPolarHBondContact OD1-CB 3.26Å; D144-N146 PolarHBondContact OD1-N 3.08Å
147	Q	95.5	Very high	92.9	Very high	66 Å²	66	76.4 Å²	76.4	31%	0.308	38%	0.378	S	S	.	.	S	Bend	trans	-67.8	148.4	175.5	-64.8	-63.1	-39.8	0	0	111.4	T105 L106 D144 Y152	T105-Q147 WeakPolarHBondContact CA-O 3.42Å; L106-Q147 PolarHBondContact N-O 3.26Å; D144-Q147 HydrophobicContact CB-CG 4.15Å; D144-Q147 WeakPolarHBondContact OD2-CG 3.38Å; D144-Q147 PolarHBondContact OD2-NE2 3.31Å; Q147-Y152 HydrophobicContact CB-CD2 4.32Å; Q147-Y152 HydrophobicContact CB-CE2 3.67Å; Q147-Y152 HydrophobicContact CG-CE2 3.98Å
148	P	96.2	Very high	93	Very high	38 Å²	38	76 Å²	76	25%	0.247	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-75.6	153.9	174.9	31.3	-33.5	0	0	0	111.7	P102 T104 S150 V151	P102-P148 WeakPolarHBondContact O-CB 3.47Å; T104-P148 CarbonylContact O-C 3.57Å; T104-P148 WeakPolarHBondContact O-CA 3.47Å; P148-S150 PolarHBondContact O-N 2.83Å; P148-V151 HydrophobicContact CG-CG2 3.89Å; P148-V151 PolarHBondContact O-N 2.78Å; P148-V151 VanDerWaalsContact O-N 3.16Å
149	V	96.2	Very high	93.1	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-52.4	-37.6	176.9	160.4	0	0	0	0	111.9	V100 P102 T104 L106 V109 V123 I134 V151 Y152 M153	V100-V149 HydrophobicContact CG2-CG1 4.17Å; V100-V149 HydrophobicContact CG2-CG2 4.25Å; P102-V149 PolarHBondContact O-N 3.38Å; T104-V149 VanDerWaalsContact O-CG2 3.27Å; T104-V149 WeakPolarHBondContact O-CG2 3.39Å; T104-V149 PolarHBondContact O-N 2.71Å; L106-V149 HydrophobicContact CD2-CG2 4.27Å; V109-V149 HydrophobicContact CG2-CG2 3.46Å; V109-V149 VanDerWaalsContact CG2-CG2 3.46Å; V123-V149 HydrophobicContact CB-CG1 4.39Å; V123-V149 HydrophobicContact CG1-CG1 3.94Å; V123-V149 HydrophobicContact CG2-CG1 3.49Å; V123-V149 VanDerWaalsContact CG2-CG1 3.49Å; I134-V149 HydrophobicContact CB-CG1 4.18Å; I134-V149 HydrophobicContact CD1-CB 4.31Å; I134-V149 HydrophobicContact CD1-CG1 4.06Å; I134-V149 HydrophobicContact CD1-CG2 3.88Å; I134-V149 HydrophobicContact CG2-CG1 4.22Å; V149-V151 PolarHBondContact O-N 2.79Å; V149-V151 VanDerWaalsContact O-N 3.09Å; V149-Y152 PolarHBondContact O-N 2.95Å; V149-M153 HydrophobicContact CG1-CB 4.05Å; V149-M153 HydrophobicContact CG1-SD 4.38Å; V149-M153 WeakPolarHBondContact O-CB 3.25Å; V149-M153 PolarHBondContact O-N 3.23Å
150	S	95.6	Very high	93.3	Very high	56 Å²	56	73.5 Å²	73.5	39%	0.392	36%	0.362	S	S	.	.	H	α-helix	trans	-54.7	-27.1	-179.8	59	0	0	0	0	114.8	P102 P148	P102-S150 WeakPolarHBondContact O-CB 3.33Å; P102-S150 PolarHBondContact O-N 2.79Å; P102-S150 PolarHBondContact O-OG 2.93Å; P148-S150 PolarHBondContact O-N 2.83Å
151	V	94.5	Very high	93.6	Very high	83 Å²	83	67.6 Å²	67.6	50%	0.503	34%	0.344	S	S	.	.	H	α-helix	trans	-75.5	-31.9	-179.9	173.9	0	0	0	0	112.2	P148 V149	P148-V151 HydrophobicContact CG-CG2 3.89Å; P148-V151 PolarHBondContact O-N 2.78Å; P148-V151 VanDerWaalsContact O-N 3.16Å; V149-V151 PolarHBondContact O-N 2.79Å; V149-V151 VanDerWaalsContact O-N 3.09Å
152	Y	94.2	Very high	93.7	Very high	84 Å²	84	59.1 Å²	59.1	33%	0.329	31%	0.307	S	S	.	.	H	α-helix	trans	-115	-12.1	-171.8	-66.6	-84.7	0	0	0	114.1	L106 V142 Q147 V149	L106-Y152 HydrophobicContact CD1-CD2 3.63Å; L106-Y152 HydrophobicContact CD1-CE2 3.83Å; L106-Y152 HydrophobicContact CD1-CG 4.28Å; L106-Y152 HydrophobicContact CG-CD2 4.39Å; V142-Y152 HydrophobicContact CB-CE1 4.5Å; V142-Y152 HydrophobicContact CG1-CE1 4.1Å; V142-Y152 HydrophobicContact CG1-CE2 4Å; V142-Y152 HydrophobicContact CG2-CD1 3.66Å; V142-Y152 HydrophobicContact CG2-CE1 3.55Å; V142-Y152 HydrophobicContact CG2-CG 4.23Å; Q147-Y152 HydrophobicContact CB-CD2 4.32Å; Q147-Y152 HydrophobicContact CB-CE2 3.67Å; Q147-Y152 HydrophobicContact CG-CE2 3.98Å; V149-Y152 PolarHBondContact O-N 2.95Å
153	M	95.4	Very high	93.8	Very high	32 Å²	32	63 Å²	63	16%	0.158	32%	0.319	C	S	.	.	S	Bend	trans	-63.8	155.2	-179.2	70.2	179.6	-172.9	0	0	112.4	V123 V131 I134 V149 P155	V123-M153 HydrophobicContact CB-SD 3.88Å; V123-M153 HydrophobicContact CG1-SD 3.76Å; V123-M153 HydrophobicContact CG2-CB 4.16Å; V123-M153 HydrophobicContact CG2-SD 3.88Å; V131-M153 HydrophobicContact CG2-CE 4.48Å; I134-M153 HydrophobicContact CB-CB 4.44Å; V149-M153 HydrophobicContact CG1-CB 4.05Å; V149-M153 HydrophobicContact CG1-SD 4.38Å; V149-M153 WeakPolarHBondContact O-CB 3.25Å; V149-M153 PolarHBondContact O-N 3.23Å; M153-P155 WeakPolarHBondContact O-CD 3.25Å
154	T	94.9	Very high	93.4	Very high	27 Å²	27	64 Å²	64	17%	0.166	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	121.2	161.5	-64.7	0	0	0	0	108.1	G132 I133 R158 L159	G132-T154 CarbonylContact C-O 3.51Å; G132-T154 WeakPolarHBondContact CA-O 3.41Å; I133-T154 HydrophobicContact CG2-CG2 4.41Å; I133-T154 PolarHBondContact N-O 3.4Å; I133-T154 PolarHBondContact O-N 3.39Å; T154-R158 HydrophobicContact CG2-CB 3.57Å; T154-L159 HydrophobicContact CG2-CD2 4.11Å
155	P	95.3	Very high	92.7	Very high	30 Å²	30	64.9 Å²	64.9	20%	0.195	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	163.4	-175.2	34.4	-39	0	0	0	112.4	M153 E157 R158	M153-P155 WeakPolarHBondContact O-CD 3.25Å; P155-E157 VanDerWaalsContact C-N 3.28Å; P155-E157 WeakPolarHBondContact CB-OE1 3.37Å; P155-E157 WeakPolarHBondContact CB-OE2 3.47Å; P155-E157 WeakPolarHBondContact CG-OE1 3.42Å; P155-E157 PolarHBondContact O-N 3.31Å; P155-E157 VanDerWaalsContact O-N 3.14Å; P155-R158 VanDerWaalsContact CD-NH2 3.27Å; P155-R158 HydrophobicContact CG-CG 4.37Å; P155-R158 PolarHBondContact O-N 2.69Å
156	K	94.3	Very high	92.3	Very high	72 Å²	72	65.4 Å²	65.4	31%	0.313	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-44.4	-45.1	-174.4	-168.7	172.5	-176	176.6	0	114.3	E129 V131 R158 L159 F190	E129-K156 IonicContact OE1-NZ 3.18Å; E129-K156 PolarHBondContact OE1-NZ 3.06Å; V131-K156 PolarHBondContact O-N 2.97Å; K156-R158 VanDerWaalsContact C-N 3.26Å; K156-R158 PolarHBondContact O-N 2.72Å; K156-L159 WeakPolarHBondContact O-CB 3.39Å; K156-L159 WeakPolarHBondContact O-CG 3.47Å; K156-L159 PolarHBondContact O-N 3.48Å; K156-F190 HydrophobicContact CD-CD1 4.39Å; K156-F190 HydrophobicContact CD-CE1 4.08Å; K156-F190 HydrophobicContact CG-CE1 3.75Å; K156-F190 HydrophobicContact CG-CZ 4.17Å
157	E	92.3	Very high	91.7	Very high	155 Å²	155	62.9 Å²	62.9	72%	0.724	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-70.7	-15.6	-176.7	67.5	-79.8	-177.2	0	0	114.6	P155	P155-E157 VanDerWaalsContact C-N 3.28Å; P155-E157 WeakPolarHBondContact CB-OE1 3.37Å; P155-E157 WeakPolarHBondContact CB-OE2 3.47Å; P155-E157 WeakPolarHBondContact CG-OE1 3.42Å; P155-E157 PolarHBondContact O-N 3.31Å; P155-E157 VanDerWaalsContact O-N 3.14Å
158	R	91.6	Very high	90.9	Very high	154 Å²	154	63.8 Å²	63.8	58%	0.581	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-102.7	0.9	177.8	-66.5	-162.8	-65.5	158.6	2.7	113.2	T154 P155 K156	T154-R158 HydrophobicContact CG2-CB 3.57Å; P155-R158 VanDerWaalsContact CD-NH2 3.27Å; P155-R158 HydrophobicContact CG-CG 4.37Å; P155-R158 PolarHBondContact O-N 2.69Å; K156-R158 VanDerWaalsContact C-N 3.26Å; K156-R158 PolarHBondContact O-N 2.72Å
159	L	93.8	Very high	90.3	Very high	22 Å²	22	68.4 Å²	68.4	12%	0.115	35%	0.351	C	S	.	.			trans	-72.8	145.2	179.7	-56.7	-178.9	0	0	0	111.1	L130 I133 T154 K156 T161 L184	L130-L159 HydrophobicContact CD1-CD1 4.23Å; L130-L159 HydrophobicContact CD2-CD1 3.79Å; L130-L159 HydrophobicContact CG-CD1 3.75Å; I133-L159 HydrophobicContact CB-CD2 4Å; I133-L159 HydrophobicContact CG2-CD2 3.53Å; T154-L159 HydrophobicContact CG2-CD2 4.11Å; K156-L159 WeakPolarHBondContact O-CB 3.39Å; K156-L159 WeakPolarHBondContact O-CG 3.47Å; K156-L159 PolarHBondContact O-N 3.48Å; L159-T161 HydrophobicContact CB-CG2 4.07Å; L159-L184 HydrophobicContact CB-CD1 4.45Å; L159-L184 HydrophobicContact CD1-CD1 4.05Å; L159-L184 HydrophobicContact CD2-CD1 4.14Å; L159-L184 HydrophobicContact CG-CD1 4.45Å
160	V	93.4	Very high	89.9	Confident	11 Å²	11	71.4 Å²	71.4	7%	0.067	37%	0.369	C	S	.	.			trans	-91.2	110.9	162.4	172.4	0	0	0	0	107.7	K174 M175 K178 V180 A183 L184	V160-K174 HydrophobicContact CG1-CB 3.83Å; V160-M175 HydrophobicContact CG1-CG 4.32Å; V160-K178 HydrophobicContact CG2-CB 3.49Å; V160-K178 VanDerWaalsContact CG2-CB 3.49Å; V160-K178 HydrophobicContact CG2-CG 3.49Å; V160-K178 VanDerWaalsContact CG2-CG 3.49Å; V160-V180 HydrophobicContact CB-CG2 3.82Å; V160-V180 HydrophobicContact CG1-CG2 4.46Å; V160-V180 HydrophobicContact CG2-CG2 3.39Å; V160-A183 HydrophobicContact CG1-CB 3.88Å; V160-A183 WeakPolarHBondContact O-CA 3.28Å; V160-L184 PolarHBondContact O-N 2.89Å
161	T	94.4	Very high	89.5	Confident	38 Å²	38	68.8 Å²	68.8	23%	0.233	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	148.9	177.1	58.6	0	0	0	0	112.2	L130 L159 K174 L184 V186 F190	L130-T161 HydrophobicContact CD2-CG2 3.95Å; L159-T161 HydrophobicContact CB-CG2 4.07Å; T161-K174 PolarHBondContact O-NZ 3.45Å; T161-L184 CarbonylContact C-O 3.52Å; T161-L184 WeakPolarHBondContact CA-O 3.4Å; T161-L184 HydrophobicContact CG2-CB 4.31Å; T161-V186 HydrophobicContact CG2-CG1 4.3Å; T161-V186 HydrophobicContact CG2-CG2 4.32Å; T161-F190 HydrophobicContact CG2-CE2 4.2Å; T161-F190 HydrophobicContact CG2-CZ 3.76Å
162	V	92.2	Very high	89.1	Confident	3 Å²	3	67.4 Å²	67.4	2%	0.018	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	155.9	179.5	-63.1	0	0	0	0	109.5	E166 V171 K174 A183 L184 V185 V186 I196	V162-E166 WeakPolarHBondContact CA-OE2 3.14Å; V162-E166 HydrophobicContact CB-CB 4.35Å; V162-E166 WeakPolarHBondContact CB-OE2 3.11Å; V162-V171 HydrophobicContact CB-CG2 4.41Å; V162-V171 HydrophobicContact CG1-CB 4.46Å; V162-V171 HydrophobicContact CG1-CG1 4.33Å; V162-V171 HydrophobicContact CG1-CG2 4.07Å; V162-V171 HydrophobicContact CG2-CG2 4.5Å; V162-K174 HydrophobicContact CG1-CD 3.75Å; V162-A183 HydrophobicContact CG1-CB 4.25Å; V162-A183 HydrophobicContact CG2-CB 4.39Å; V162-L184 PolarHBondContact N-O 3.09Å; V162-V185 HydrophobicContact CG2-CB 4.3Å; V162-V185 HydrophobicContact CG2-CG1 4.41Å; V162-V185 HydrophobicContact CG2-CG2 3.82Å; V162-V185 WeakPolarHBondContact O-CA 3.4Å; V162-V186 PolarHBondContact O-N 3.4Å; V162-I196 HydrophobicContact CG2-CD1 4.12Å
163	R	90	Very high	88.8	Confident	106 Å²	106	66.2 Å²	66.2	40%	0.4	35%	0.348	S	S	.	.			trans	-84.3	159.1	171.8	-65.4	-59.2	-163.5	-157.8	12	110.3	G165 E166 V186 D187 D188	R163-G165 PolarHBondContact O-N 2.85Å; R163-E166 PolarHBondContact N-OE2 2.94Å; R163-E166 VanDerWaalsContact O-CB 3.32Å; R163-E166 WeakPolarHBondContact O-CB 3.35Å; R163-E166 PolarHBondContact O-N 3.24Å; R163-V186 WeakPolarHBondContact CD-O 3.16Å; R163-V186 PolarHBondContact NH1-O 3.29Å; R163-D187 VanDerWaalsContact NH1-C 3.28Å; R163-D187 PolarHBondContact NH1-O 3.31Å; R163-D188 IonicContact CZ-OD1 3.69Å; R163-D188 IonicContact NE-OD1 2.73Å; R163-D188 PolarHBondContact NE-OD1 3.17Å; R163-D188 IonicContact NH2-OD1 3.23Å; R163-D188 PolarHBondContact NH2-OD1 2.65Å
164	E	82.6	Confident	88.7	Confident	161 Å²	161	67.8 Å²	67.8	75%	0.752	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	138.1	170	-165	173.6	-173.5	0	0	110.5	E166 V185 I193	E164-E166 PolarHBondContact O-N 3.18Å; E164-V185 HydrophobicContact CB-CG1 4.29Å; E164-I193 HydrophobicContact CB-CD1 3.78Å; E164-I193 HydrophobicContact CG-CD1 4.38Å
165	G	78.2	Confident	88.4	Confident	79 Å²	79	66.6 Å²	66.6	81%	0.814	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	4.8	-179.4	0	0	0	0	0	115.5	R163 A167	R163-G165 PolarHBondContact O-N 2.85Å; G165-A167 PolarHBondContact O-N 3.49Å
166	E	83.7	Confident	88.2	Confident	52 Å²	52	72.5 Å²	72.5	24%	0.243	37%	0.371	C	S	.	.			trans	-62.4	133.8	177.5	-166	163.3	-179.3	0	0	111.2	V162 R163 E164 V170 V171 K174	V162-E166 WeakPolarHBondContact CA-OE2 3.14Å; V162-E166 HydrophobicContact CB-CB 4.35Å; V162-E166 WeakPolarHBondContact CB-OE2 3.11Å; R163-E166 PolarHBondContact N-OE2 2.94Å; R163-E166 VanDerWaalsContact O-CB 3.32Å; R163-E166 WeakPolarHBondContact O-CB 3.35Å; R163-E166 PolarHBondContact O-N 3.24Å; E164-E166 PolarHBondContact O-N 3.18Å; E166-V170 HydrophobicContact CG-CB 4.09Å; E166-V170 HydrophobicContact CG-CG1 3.98Å; E166-V170 WeakPolarHBondContact OE1-CG1 3.42Å; E166-V171 HydrophobicContact CB-CG2 4.26Å; E166-V171 HydrophobicContact CG-CG2 4.41Å; E166-K174 VanDerWaalsContact CD-NZ 3.29Å; E166-K174 WeakPolarHBondContact OE1-CE 3.49Å; E166-K174 IonicContact OE1-NZ 2.65Å; E166-K174 PolarHBondContact OE1-NZ 3.26Å; E166-K174 IonicContact OE2-NZ 3.41Å; E166-K174 PolarHBondContact OE2-NZ 2.93Å
167	A	81	Confident	88	Confident	51 Å²	51	75.6 Å²	75.6	42%	0.421	39%	0.387	S	S	.	.			trans	-60.4	141.6	-172.7	0	0	0	0	0	111.9	G165 E169 V170 V171	G165-A167 PolarHBondContact O-N 3.49Å; A167-E169 PolarHBondContact O-N 2.88Å; A167-E169 VanDerWaalsContact O-N 3.14Å; A167-V170 HydrophobicContact CB-CG2 4.15Å; A167-V170 WeakPolarHBondContact O-CA 3.43Å; A167-V170 WeakPolarHBondContact O-CB 3.49Å; A167-V170 PolarHBondContact O-N 2.81Å; A167-V171 PolarHBondContact O-N 3.16Å
168	R	79.7	Confident	87.8	Confident	85 Å²	85	74.2 Å²	74.2	32%	0.321	38%	0.378	S	S	.	.	H	α-helix	trans	-50	-43.5	-176.9	168.3	170.3	-174.1	-152.3	-9.1	112.7	V170 V171 L172 F201 E205	R168-V170 VanDerWaalsContact C-N 3.28Å; R168-V170 PolarHBondContact O-N 2.93Å; R168-V171 PolarHBondContact O-N 2.96Å; R168-L172 HydrophobicContact CG-CD1 3.9Å; R168-L172 HydrophobicContact CG-CG 4.44Å; R168-L172 WeakPolarHBondContact O-CB 3.5Å; R168-L172 WeakPolarHBondContact O-CG 3.19Å; R168-L172 PolarHBondContact O-N 3.17Å; R168-F201 HydrophobicContact CB-CE1 4.12Å; R168-F201 HydrophobicContact CB-CZ 4.46Å; R168-F201 HydrophobicContact CG-CD1 3.98Å; R168-F201 HydrophobicContact CG-CE1 3.42Å; R168-F201 VanDerWaalsContact CG-CE1 3.42Å; R168-F201 HydrophobicContact CG-CZ 3.93Å; R168-E205 IonicContact CZ-OE1 3.03Å; R168-E205 VanDerWaalsContact NH2-CD 3.32Å; R168-E205 VanDerWaalsContact NH2-CG 3.32Å; R168-E205 IonicContact NH2-OE1 3.54Å; R168-E205 PolarHBondContact NH2-OE1 3.46Å
169	E	83.4	Confident	87.7	Confident	136 Å²	136	77.8 Å²	77.8	64%	0.636	39%	0.392	S	S	*	.	H	α-helix	trans	-62.7	-38.3	-178.7	-63.7	68.5	-148.5	0	0	111	A167 A173	A167-E169 PolarHBondContact O-N 2.88Å; A167-E169 VanDerWaalsContact O-N 3.14Å; E169-A173 VanDerWaalsContact O-CB 3.28Å; E169-A173 WeakPolarHBondContact O-CB 3.47Å; E169-A173 PolarHBondContact O-N 3.33Å
170	V	87.3	Confident	87.4	Confident	62 Å²	62	79.1 Å²	79.1	38%	0.376	40%	0.401	S	S	.	.	H	α-helix	trans	-71.8	-44.5	178.5	-175.4	0	0	0	0	110.7	E166 A167 R168 L172 A173 K174	E166-V170 HydrophobicContact CG-CB 4.09Å; E166-V170 HydrophobicContact CG-CG1 3.98Å; E166-V170 WeakPolarHBondContact OE1-CG1 3.42Å; A167-V170 HydrophobicContact CB-CG2 4.15Å; A167-V170 WeakPolarHBondContact O-CA 3.43Å; A167-V170 WeakPolarHBondContact O-CB 3.49Å; A167-V170 PolarHBondContact O-N 2.81Å; R168-V170 VanDerWaalsContact C-N 3.28Å; R168-V170 PolarHBondContact O-N 2.93Å; V170-L172 VanDerWaalsContact C-N 3.35Å; V170-L172 PolarHBondContact O-N 2.88Å; V170-A173 PolarHBondContact O-N 3.14Å; V170-K174 PolarHBondContact O-N 3.46Å
171	V	87.4	Confident	87.1	Confident	1 Å²	1	83.4 Å²	83.4	1%	0.006	42%	0.42	C	S	.	.	H	α-helix	trans	-57.1	-50	175	179.1	0	0	0	0	110.2	V162 E166 A167 R168 A173 K174 M175 A183 I196 F201	V162-V171 HydrophobicContact CB-CG2 4.41Å; V162-V171 HydrophobicContact CG1-CB 4.46Å; V162-V171 HydrophobicContact CG1-CG1 4.33Å; V162-V171 HydrophobicContact CG1-CG2 4.07Å; V162-V171 HydrophobicContact CG2-CG2 4.5Å; E166-V171 HydrophobicContact CB-CG2 4.26Å; E166-V171 HydrophobicContact CG-CG2 4.41Å; A167-V171 PolarHBondContact O-N 3.16Å; R168-V171 PolarHBondContact O-N 2.96Å; V171-A173 PolarHBondContact O-N 3.43Å; V171-K174 PolarHBondContact O-N 2.77Å; V171-M175 HydrophobicContact CG1-SD 3.91Å; V171-M175 VanDerWaalsContact O-CG 3.25Å; V171-M175 WeakPolarHBondContact O-CG 3.38Å; V171-M175 PolarHBondContact O-N 3.23Å; V171-A183 HydrophobicContact CG1-CB 4.05Å; V171-I196 HydrophobicContact CG1-CB 4.34Å; V171-I196 HydrophobicContact CG1-CD1 3.8Å; V171-I196 HydrophobicContact CG1-CG2 4.02Å; V171-I196 HydrophobicContact CG2-CD1 4.06Å; V171-F201 HydrophobicContact CB-CZ 4.48Å; V171-F201 HydrophobicContact CG1-CE2 4.03Å; V171-F201 HydrophobicContact CG1-CZ 4.28Å
172	L	85.2	Confident	86.9	Confident	55 Å²	55	83.9 Å²	83.9	29%	0.288	42%	0.419	S	S	.	.	H	α-helix	trans	-63	-39.4	178.9	-75	174.1	0	0	0	112.4	R168 V170 M175 H176 F201	R168-L172 HydrophobicContact CG-CD1 3.9Å; R168-L172 HydrophobicContact CG-CG 4.44Å; R168-L172 WeakPolarHBondContact O-CB 3.5Å; R168-L172 WeakPolarHBondContact O-CG 3.19Å; R168-L172 PolarHBondContact O-N 3.17Å; V170-L172 VanDerWaalsContact C-N 3.35Å; V170-L172 PolarHBondContact O-N 2.88Å; L172-M175 PolarHBondContact O-N 3.46Å; L172-H176 VanDerWaalsContact O-CB 3.27Å; L172-H176 WeakPolarHBondContact O-CB 3.25Å; L172-H176 PolarHBondContact O-N 2.98Å; L172-F201 HydrophobicContact CD2-CB 4.33Å; L172-F201 HydrophobicContact CD2-CD2 3.42Å; L172-F201 VanDerWaalsContact CD2-CD2 3.42Å; L172-F201 HydrophobicContact CD2-CE2 3.8Å; L172-F201 HydrophobicContact CD2-CG 3.98Å; L172-F201 HydrophobicContact CG-CD2 4.02Å; L172-F201 HydrophobicContact CG-CE2 4Å; L172-F201 HydrophobicContact CG-CG 4.44Å; L172-F201 HydrophobicContact CG-CZ 4.46Å
173	A	89.8	Confident	86.9	Confident	58 Å²	58	83.8 Å²	83.8	48%	0.479	42%	0.418	S	S	.	.	H	α-helix	trans	-61.7	-47	176.2	0	0	0	0	0	111.8	E169 V170 V171 M175 H176 E177	E169-A173 VanDerWaalsContact O-CB 3.28Å; E169-A173 WeakPolarHBondContact O-CB 3.47Å; E169-A173 PolarHBondContact O-N 3.33Å; V170-A173 PolarHBondContact O-N 3.14Å; V171-A173 PolarHBondContact O-N 3.43Å; A173-M175 PolarHBondContact O-N 3.02Å; A173-H176 PolarHBondContact O-N 2.93Å; A173-E177 WeakPolarHBondContact O-CB 3.45Å; A173-E177 PolarHBondContact O-N 3.37Å
174	K	92.1	Very high	87.1	Confident	65 Å²	65	78.9 Å²	78.9	28%	0.283	40%	0.4	S	S	.	.	H	α-helix	trans	-60.5	-44.2	176.3	-74.9	175.5	167.2	-178.9	0	112.2	V160 T161 V162 E166 V170 V171 E177 K178	V160-K174 HydrophobicContact CG1-CB 3.83Å; T161-K174 PolarHBondContact O-NZ 3.45Å; V162-K174 HydrophobicContact CG1-CD 3.75Å; E166-K174 VanDerWaalsContact CD-NZ 3.29Å; E166-K174 WeakPolarHBondContact OE1-CE 3.49Å; E166-K174 IonicContact OE1-NZ 2.65Å; E166-K174 PolarHBondContact OE1-NZ 3.26Å; E166-K174 IonicContact OE2-NZ 3.41Å; E166-K174 PolarHBondContact OE2-NZ 2.93Å; V170-K174 PolarHBondContact O-N 3.46Å; V171-K174 PolarHBondContact O-N 2.77Å; K174-E177 PolarHBondContact O-N 2.92Å; K174-K178 PolarHBondContact O-N 3.02Å
175	M	89.9	Confident	87.5	Confident	3 Å²	3	71.4 Å²	71.4	2%	0.015	37%	0.366	C	S	.	.	H	α-helix	trans	-63	-42	176.8	-68.8	174.9	82.7	0	0	111.9	V160 V171 L172 A173 R179 V180 E181 K182 A183 V198 F201	V160-M175 HydrophobicContact CG1-CG 4.32Å; V171-M175 HydrophobicContact CG1-SD 3.91Å; V171-M175 VanDerWaalsContact O-CG 3.25Å; V171-M175 WeakPolarHBondContact O-CG 3.38Å; V171-M175 PolarHBondContact O-N 3.23Å; L172-M175 PolarHBondContact O-N 3.46Å; A173-M175 PolarHBondContact O-N 3.02Å; M175-R179 WeakPolarHBondContact O-CA 3.4Å; M175-R179 PolarHBondContact O-N 3.34Å; M175-V180 HydrophobicContact CB-CG2 4.36Å; M175-V180 HydrophobicContact CG-CG2 4.45Å; M175-V180 PolarHBondContact O-N 3.27Å; M175-E181 WeakPolarHBondContact CE-O 3.25Å; M175-K182 VanDerWaalsContact CE-N 3.29Å; M175-A183 HydrophobicContact CG-CB 3.83Å; M175-A183 HydrophobicContact SD-CB 4Å; M175-V198 HydrophobicContact CE-CB 4.23Å; M175-V198 HydrophobicContact CE-CG2 3.3Å; M175-V198 HydrophobicContact SD-CG2 4.15Å; M175-F201 HydrophobicContact SD-CE2 4.5Å
176	H	89.4	Confident	88.3	Confident	154 Å²	154	67.8 Å²	67.8	71%	0.713	33%	0.327	S	S	*	.	H	α-helix	trans	-65.5	-44.6	177.7	179.8	-94.3	0	0	0	112.1	L172 A173 K178 R179	L172-H176 VanDerWaalsContact O-CB 3.27Å; L172-H176 WeakPolarHBondContact O-CB 3.25Å; L172-H176 PolarHBondContact O-N 2.98Å; A173-H176 PolarHBondContact O-N 2.93Å; H176-K178 PolarHBondContact O-N 2.95Å; H176-R179 PolarHBondContact O-N 3.42Å; H176-R179 VanDerWaalsContact O-N 3.09Å
177	E	90.6	Very high	88.7	Confident	136 Å²	136	67.6 Å²	67.6	64%	0.636	33%	0.328	S	S	*	.	H	α-helix	trans	-56.1	-47.9	178.9	-171.5	-161.8	141.1	0	0	111.7	A173 K174 R179	A173-E177 WeakPolarHBondContact O-CB 3.45Å; A173-E177 PolarHBondContact O-N 3.37Å; K174-E177 PolarHBondContact O-N 2.92Å; E177-R179 VanDerWaalsContact C-N 3.32Å
178	K	89	Confident	89.3	Confident	126 Å²	126	71.9 Å²	71.9	55%	0.548	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-0	179.2	-58.3	-64.6	176.7	177.4	0	113.6	V160 K174 H176 V180	V160-K178 HydrophobicContact CG2-CB 3.49Å; V160-K178 VanDerWaalsContact CG2-CB 3.49Å; V160-K178 HydrophobicContact CG2-CG 3.49Å; V160-K178 VanDerWaalsContact CG2-CG 3.49Å; K174-K178 PolarHBondContact O-N 3.02Å; H176-K178 PolarHBondContact O-N 2.95Å; K178-V180 VanDerWaalsContact C-N 3.26Å; K178-V180 HydrophobicContact CB-CG1 4.2Å; K178-V180 HydrophobicContact CB-CG2 4.34Å; K178-V180 PolarHBondContact O-N 3.47Å
179	R	88.6	Confident	90	Very high	230 Å²	230	74.8 Å²	74.8	87%	0.868	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	42.3	-178.3	-56.5	-178.7	178.2	-169.9	-0.9	112.9	M175 H176 E177	M175-R179 WeakPolarHBondContact O-CA 3.4Å; M175-R179 PolarHBondContact O-N 3.34Å; H176-R179 PolarHBondContact O-N 3.42Å; H176-R179 VanDerWaalsContact O-N 3.09Å; E177-R179 VanDerWaalsContact C-N 3.32Å
180	V	87.9	Confident	90.5	Very high	50 Å²	50	70.6 Å²	70.6	30%	0.303	34%	0.341	S	S	.	.			trans	-108	151.9	178.2	-62	0	0	0	0	111.2	V160 M175 K178 K182	V160-V180 HydrophobicContact CB-CG2 3.82Å; V160-V180 HydrophobicContact CG1-CG2 4.46Å; V160-V180 HydrophobicContact CG2-CG2 3.39Å; M175-V180 HydrophobicContact CB-CG2 4.36Å; M175-V180 HydrophobicContact CG-CG2 4.45Å; M175-V180 PolarHBondContact O-N 3.27Å; K178-V180 VanDerWaalsContact C-N 3.26Å; K178-V180 HydrophobicContact CB-CG1 4.2Å; K178-V180 HydrophobicContact CB-CG2 4.34Å; K178-V180 PolarHBondContact O-N 3.47Å; V180-K182 WeakPolarHBondContact CG2-O 3.48Å
181	E	87.1	Confident	90.9	Very high	101 Å²	101	69.7 Å²	69.7	47%	0.472	33%	0.332	S	S	.	.	S	Bend	trans	-95	-1.2	179.2	-68.4	175.5	-159.1	0	0	113.3	R137 M175 T197 V198	R137-E181 IonicContact NH2-OE1 3.66Å; R137-E181 PolarHBondContact NH2-OE1 3.46Å; M175-E181 WeakPolarHBondContact CE-O 3.25Å; E181-T197 WeakPolarHBondContact O-CA 3.47Å; E181-V198 PolarHBondContact O-N 3.14Å
182	K	89.2	Confident	91.2	Very high	48 Å²	48	70.1 Å²	70.1	21%	0.209	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	139.7	-178.2	-62.4	173	-175.3	145.2	0	111.4	I133 M175 V180 M195 I196 T197	I133-K182 HydrophobicContact CD1-CB 4.27Å; I133-K182 HydrophobicContact CD1-CD 3.79Å; M175-K182 VanDerWaalsContact CE-N 3.29Å; V180-K182 WeakPolarHBondContact CG2-O 3.48Å; K182-M195 HydrophobicContact CB-SD 4.45Å; K182-M195 HydrophobicContact CD-SD 3.85Å; K182-M195 HydrophobicContact CG-SD 4.34Å; K182-I196 CarbonylContact C-O 3.52Å; K182-I196 VanDerWaalsContact CA-O 3.25Å; K182-I196 WeakPolarHBondContact CA-O 3.25Å; K182-T197 HydrophobicContact CG-CG2 4.3Å
183	A	92.1	Very high	91.5	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	142.2	168.2	0	0	0	0	0	109	V160 V162 V171 M175 M195 I196	V160-A183 HydrophobicContact CG1-CB 3.88Å; V160-A183 WeakPolarHBondContact O-CA 3.28Å; V162-A183 HydrophobicContact CG1-CB 4.25Å; V162-A183 HydrophobicContact CG2-CB 4.39Å; V171-A183 HydrophobicContact CG1-CB 4.05Å; M175-A183 HydrophobicContact CG-CB 3.83Å; M175-A183 HydrophobicContact SD-CB 4Å; A183-M195 CarbonylContact O-C 3.25Å; A183-M195 WeakPolarHBondContact O-CA 3.5Å; A183-I196 HydrophobicContact CB-CB 4.37Å; A183-I196 PolarHBondContact N-O 3.47Å; A183-I196 PolarHBondContact O-N 3.27Å
184	L	94.3	Very high	91.5	Very high	3 Å²	3	67.5 Å²	67.5	2%	0.016	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.4	-176.7	-61.7	166.5	0	0	0	109	P122 L130 I133 L159 V160 T161 V162 L192 M195	P122-L184 HydrophobicContact CB-CD2 3.99Å; P122-L184 HydrophobicContact CG-CD2 3.66Å; L130-L184 HydrophobicContact CD1-CD1 3.91Å; L130-L184 HydrophobicContact CD2-CB 3.73Å; L130-L184 HydrophobicContact CD2-CD1 3.66Å; L130-L184 HydrophobicContact CD2-CG 4.28Å; L130-L184 HydrophobicContact CG-CD1 4.32Å; I133-L184 HydrophobicContact CB-CD1 4.26Å; I133-L184 HydrophobicContact CD1-CD1 4.4Å; I133-L184 HydrophobicContact CD1-CD2 4.31Å; L159-L184 HydrophobicContact CB-CD1 4.45Å; L159-L184 HydrophobicContact CD1-CD1 4.05Å; L159-L184 HydrophobicContact CD2-CD1 4.14Å; L159-L184 HydrophobicContact CG-CD1 4.45Å; V160-L184 PolarHBondContact O-N 2.89Å; T161-L184 CarbonylContact C-O 3.52Å; T161-L184 WeakPolarHBondContact CA-O 3.4Å; T161-L184 HydrophobicContact CG2-CB 4.31Å; V162-L184 PolarHBondContact N-O 3.09Å; L184-L192 HydrophobicContact CB-CD1 4.07Å; L184-L192 HydrophobicContact CD2-CD1 4.02Å; L184-M195 HydrophobicContact CD2-CB 4.17Å; L184-M195 HydrophobicContact CD2-CG 3.96Å; L184-M195 HydrophobicContact CD2-SD 4.16Å
185	V	92.5	Very high	91.4	Very high	5 Å²	5	65 Å²	65	3%	0.03	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	125.1	-179.8	-163.8	0	0	0	0	108	V93 V162 E164 I193 G194 I196	V93-V185 HydrophobicContact CG1-CG2 3.69Å; V162-V185 HydrophobicContact CG2-CB 4.3Å; V162-V185 HydrophobicContact CG2-CG1 4.41Å; V162-V185 HydrophobicContact CG2-CG2 3.82Å; V162-V185 WeakPolarHBondContact O-CA 3.4Å; E164-V185 HydrophobicContact CB-CG1 4.29Å; V185-I193 HydrophobicContact CB-CG1 3.94Å; V185-I193 HydrophobicContact CG1-CD1 3.78Å; V185-I193 HydrophobicContact CG1-CG1 3.69Å; V185-I193 VanDerWaalsContact O-CG1 3.26Å; V185-I193 WeakPolarHBondContact O-CG1 3.44Å; V185-I193 PolarHBondContact O-N 2.79Å; V185-G194 PolarHBondContact N-O 3.21Å; V185-G194 PolarHBondContact O-N 3.12Å; V185-I196 HydrophobicContact CG2-CD1 4.03Å; V185-I196 HydrophobicContact CG2-CG1 3.92Å
186	V	94.1	Very high	91.2	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	145.9	-176	-65	0	0	0	0	112.6	L130 T161 V162 R163 F190 H191	L130-V186 HydrophobicContact CB-CG1 4.25Å; L130-V186 HydrophobicContact CD2-CG1 3.5Å; L130-V186 VanDerWaalsContact CD2-CG1 3.5Å; T161-V186 HydrophobicContact CG2-CG1 4.3Å; T161-V186 HydrophobicContact CG2-CG2 4.32Å; V162-V186 PolarHBondContact O-N 3.4Å; R163-V186 WeakPolarHBondContact CD-O 3.16Å; R163-V186 PolarHBondContact NH1-O 3.29Å; V186-F190 HydrophobicContact CG2-CD2 4.16Å; V186-F190 HydrophobicContact CG2-CE2 4.25Å; V186-H191 WeakPolarHBondContact CA-O 3.14Å; V186-H191 WeakPolarHBondContact CB-O 3.33Å
187	D	93.2	Very high	91	Very high	49 Å²	49	59 Å²	59	26%	0.262	28%	0.276	S	S	.	.			trans	-78.7	179.6	171.8	73.6	9	0	0	0	112.3	R163 E189 F190 H191 I193	R163-D187 VanDerWaalsContact NH1-C 3.28Å; R163-D187 PolarHBondContact NH1-O 3.31Å; D187-E189 PolarHBondContact O-N 2.6Å; D187-E189 WeakPolarHBondContact OD1-CA 3.42Å; D187-E189 PolarHBondContact OD1-N 3.17Å; D187-F190 PolarHBondContact O-N 2.75Å; D187-F190 PolarHBondContact OD1-N 2.91Å; D187-H191 PolarHBondContact N-O 3.05Å; D187-H191 VanDerWaalsContact N-O 3.12Å; D187-H191 IonicContact OD1-CG 2.61Å; D187-H191 PolarHBondContact OD1-N 3.38Å; D187-H191 IonicContact OD1-ND1 3.61Å; D187-H191 WeakPolarHBondContact OD2-CB 3.48Å; D187-H191 IonicContact OD2-CG 3.85Å; D187-H191 IonicContact OD2-ND1 3.17Å; D187-H191 PolarHBondContact OD2-ND1 3.16Å; D187-I193 HydrophobicContact CB-CG2 4.27Å
188	D	92.9	Very high	90.5	Very high	140 Å²	140	54.2 Å²	54.2	75%	0.749	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.4	-177.8	-75.2	-34.4	0	0	0	114.9	R163 F190	R163-D188 IonicContact CZ-OD1 3.69Å; R163-D188 IonicContact NE-OD1 2.73Å; R163-D188 PolarHBondContact NE-OD1 3.17Å; R163-D188 IonicContact NH2-OD1 3.23Å; R163-D188 PolarHBondContact NH2-OD1 2.65Å; D188-F190 VanDerWaalsContact C-N 3.31Å
189	E	93.5	Very high	89.9	Confident	147 Å²	147	54.7 Å²	54.7	69%	0.687	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	2.1	176.3	-68.3	169	-162.9	0	0	112.3	D187 H191	D187-E189 PolarHBondContact O-N 2.6Å; D187-E189 WeakPolarHBondContact OD1-CA 3.42Å; D187-E189 PolarHBondContact OD1-N 3.17Å; E189-H191 VanDerWaalsContact C-N 3.33Å; E189-H191 VanDerWaalsContact CB-CE1 3.49Å; E189-H191 WeakPolarHBondContact CB-CE1 3.48Å; E189-H191 IonicContact OE2-CE1 3.2Å; E189-H191 PolarHBondContact OE2-CE1 3.49Å; E189-H191 IonicContact OE2-ND1 3.7Å
190	F	94.5	Very high	89.2	Confident	48 Å²	48	44.6 Å²	44.6	21%	0.211	22%	0.221	C	C	.	.			trans	69.8	24.5	-178.6	-145.7	-94.5	0	0	0	114.2	L130 K156 T161 V186 D187 D188	L130-F190 HydrophobicContact CB-CD1 3.89Å; L130-F190 HydrophobicContact CB-CE1 3.93Å; L130-F190 HydrophobicContact CD2-CE1 4.02Å; L130-F190 HydrophobicContact CG-CE1 4.12Å; L130-F190 PolarHBondContact N-O 3.36Å; L130-F190 VanDerWaalsContact O-CD1 3.31Å; L130-F190 WeakPolarHBondContact O-CD1 3.43Å; L130-F190 VanDerWaalsContact O-CE1 3.25Å; L130-F190 WeakPolarHBondContact O-CE1 3.38Å; K156-F190 HydrophobicContact CD-CD1 4.39Å; K156-F190 HydrophobicContact CD-CE1 4.08Å; K156-F190 HydrophobicContact CG-CE1 3.75Å; K156-F190 HydrophobicContact CG-CZ 4.17Å; T161-F190 HydrophobicContact CG2-CE2 4.2Å; T161-F190 HydrophobicContact CG2-CZ 3.76Å; V186-F190 HydrophobicContact CG2-CD2 4.16Å; V186-F190 HydrophobicContact CG2-CE2 4.25Å; D187-F190 PolarHBondContact O-N 2.75Å; D187-F190 PolarHBondContact OD1-N 2.91Å; D188-F190 VanDerWaalsContact C-N 3.31Å
191	H	94.9	Very high	88.5	Confident	42 Å²	42	43.3 Å²	43.3	19%	0.194	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-76.4	144.8	168	-54.2	119.2	0	0	0	110.9	E127 N128 V186 D187 E189 I193	E127-H191 PolarHBondContact O-CD2 3.22Å; E127-H191 VanDerWaalsContact O-CD2 3.24Å; E127-H191 PolarHBondContact O-NE2 3.49Å; N128-H191 VanDerWaalsContact O-CA 3.29Å; N128-H191 WeakPolarHBondContact O-CA 3.49Å; V186-H191 WeakPolarHBondContact CA-O 3.14Å; V186-H191 WeakPolarHBondContact CB-O 3.33Å; D187-H191 PolarHBondContact N-O 3.05Å; D187-H191 VanDerWaalsContact N-O 3.12Å; D187-H191 IonicContact OD1-CG 2.61Å; D187-H191 PolarHBondContact OD1-N 3.38Å; D187-H191 IonicContact OD1-ND1 3.61Å; D187-H191 WeakPolarHBondContact OD2-CB 3.48Å; D187-H191 IonicContact OD2-CG 3.85Å; D187-H191 IonicContact OD2-ND1 3.17Å; D187-H191 PolarHBondContact OD2-ND1 3.16Å; E189-H191 VanDerWaalsContact C-N 3.33Å; E189-H191 VanDerWaalsContact CB-CE1 3.49Å; E189-H191 WeakPolarHBondContact CB-CE1 3.48Å; E189-H191 IonicContact OE2-CE1 3.2Å; E189-H191 PolarHBondContact OE2-CE1 3.49Å; E189-H191 IonicContact OE2-ND1 3.7Å; H191-I193 PolarHBondContact O-N 3.43Å
192	L	94.4	Very high	87.9	Confident	10 Å²	10	42.7 Å²	42.7	5%	0.052	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	123.7	177.8	-176.3	72.7	0	0	0	110.6	P97 T99 P122 V124 N128 L130 L184 G194	P97-L192 HydrophobicContact CG-CD2 3.69Å; P97-L192 HydrophobicContact CG-CG 4.24Å; T99-L192 HydrophobicContact CG2-CD2 3.5Å; P122-L192 HydrophobicContact CB-CD1 4.4Å; P122-L192 HydrophobicContact CB-CD2 3.43Å; P122-L192 VanDerWaalsContact CB-CD2 3.43Å; P122-L192 HydrophobicContact CG-CD2 3.8Å; V124-L192 HydrophobicContact CG1-CB 3.92Å; V124-L192 HydrophobicContact CG1-CD2 3.87Å; N128-L192 PolarHBondContact ND2-O 2.98Å; N128-L192 PolarHBondContact O-N 3.17Å; L130-L192 HydrophobicContact CB-CB 4.41Å; L130-L192 HydrophobicContact CD1-CD1 4.27Å; L130-L192 HydrophobicContact CD2-CD1 4.31Å; L184-L192 HydrophobicContact CB-CD1 4.07Å; L184-L192 HydrophobicContact CD2-CD1 4.02Å; L192-G194 VanDerWaalsContact CD1-O 3.28Å; L192-G194 WeakPolarHBondContact CD1-O 3.28Å
193	I	90.7	Very high	87.1	Confident	58 Å²	58	43.7 Å²	43.7	30%	0.297	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-14.4	176.1	59.3	173.6	0	0	0	112.9	E164 V185 D187 H191	E164-I193 HydrophobicContact CB-CD1 3.78Å; E164-I193 HydrophobicContact CG-CD1 4.38Å; V185-I193 HydrophobicContact CB-CG1 3.94Å; V185-I193 HydrophobicContact CG1-CD1 3.78Å; V185-I193 HydrophobicContact CG1-CG1 3.69Å; V185-I193 VanDerWaalsContact O-CG1 3.26Å; V185-I193 WeakPolarHBondContact O-CG1 3.44Å; V185-I193 PolarHBondContact O-N 2.79Å; D187-I193 HydrophobicContact CB-CG2 4.27Å; H191-I193 PolarHBondContact O-N 3.43Å
194	G	90	Very high	86.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.7	178.9	177.5	0	0	0	0	0	115.1	V94 V185 L192	V94-G194 CarbonylContact O-C 3.51Å; V94-G194 WeakPolarHBondContact O-CA 3.47Å; V185-G194 PolarHBondContact N-O 3.21Å; V185-G194 PolarHBondContact O-N 3.12Å; L192-G194 VanDerWaalsContact CD1-O 3.28Å; L192-G194 WeakPolarHBondContact CD1-O 3.28Å
195	M	90.1	Very high	85.3	Confident	14 Å²	14	50.6 Å²	50.6	7%	0.069	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	136.5	174.9	179.4	176.2	65.9	0	0	111.2	V94 P97 P122 K182 A183 L184 T197	V94-M195 HydrophobicContact CB-CB 4.49Å; V94-M195 VanDerWaalsContact CB-O 3.29Å; V94-M195 WeakPolarHBondContact CB-O 3.28Å; V94-M195 WeakPolarHBondContact CG2-O 3.47Å; V94-M195 PolarHBondContact N-O 3.01Å; V94-M195 PolarHBondContact O-N 2.81Å; P97-M195 HydrophobicContact CB-CB 4.02Å; P97-M195 HydrophobicContact CB-CE 4.25Å; P97-M195 HydrophobicContact CG-CB 4.15Å; P122-M195 HydrophobicContact CG-SD 4.15Å; K182-M195 HydrophobicContact CB-SD 4.45Å; K182-M195 HydrophobicContact CD-SD 3.85Å; K182-M195 HydrophobicContact CG-SD 4.34Å; A183-M195 CarbonylContact O-C 3.25Å; A183-M195 WeakPolarHBondContact O-CA 3.5Å; L184-M195 HydrophobicContact CD2-CB 4.17Å; L184-M195 HydrophobicContact CD2-CG 3.96Å; L184-M195 HydrophobicContact CD2-SD 4.16Å; M195-T197 HydrophobicContact CE-CG2 4.3Å
196	I	86.7	Confident	84.9	Confident	10 Å²	10	59.3 Å²	59.3	5%	0.051	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.4	176.7	-58	176.7	0	0	0	108.7	G92 V93 V162 V171 K182 A183 V185 F201	G92-I196 WeakPolarHBondContact O-CG2 3.32Å; V93-I196 HydrophobicContact CB-CG1 4.26Å; V93-I196 HydrophobicContact CG1-CG1 4.18Å; V93-I196 HydrophobicContact CG2-CD1 3.88Å; V93-I196 HydrophobicContact CG2-CG1 3.86Å; V162-I196 HydrophobicContact CG2-CD1 4.12Å; V171-I196 HydrophobicContact CG1-CB 4.34Å; V171-I196 HydrophobicContact CG1-CD1 3.8Å; V171-I196 HydrophobicContact CG1-CG2 4.02Å; V171-I196 HydrophobicContact CG2-CD1 4.06Å; K182-I196 CarbonylContact C-O 3.52Å; K182-I196 VanDerWaalsContact CA-O 3.25Å; K182-I196 WeakPolarHBondContact CA-O 3.25Å; A183-I196 HydrophobicContact CB-CB 4.37Å; A183-I196 PolarHBondContact N-O 3.47Å; A183-I196 PolarHBondContact O-N 3.27Å; V185-I196 HydrophobicContact CG2-CD1 4.03Å; V185-I196 HydrophobicContact CG2-CG1 3.92Å; I196-F201 HydrophobicContact CG2-CD2 4.03Å; I196-F201 HydrophobicContact CG2-CE2 3.26Å; I196-F201 HydrophobicContact CG2-CZ 3.7Å
197	T	83.9	Confident	84.5	Confident	20 Å²	20	61.2 Å²	61.2	12%	0.123	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144	177.8	88.3	0	0	0	0	112	E181 K182 M195 K199 D200 F201	E181-T197 WeakPolarHBondContact O-CA 3.47Å; K182-T197 HydrophobicContact CG-CG2 4.3Å; M195-T197 HydrophobicContact CE-CG2 4.3Å; T197-K199 PolarHBondContact O-N 3.28Å; T197-K199 PolarHBondContact OG1-N 2.79Å; T197-D200 PolarHBondContact O-N 2.98Å; T197-D200 VanDerWaalsContact OG1-CG 3.26Å; T197-D200 PolarHBondContact OG1-N 3.23Å; T197-D200 PolarHBondContact OG1-OD2 3.42Å; T197-F201 PolarHBondContact O-N 2.99Å
198	V	80.7	Confident	84.2	Confident	36 Å²	36	64 Å²	64	22%	0.218	31%	0.31	C	S	.	.	H	α-helix	trans	-58.7	-31.7	174.7	159.7	0	0	0	0	111.3	M175 E181 D200 F201 Q202	M175-V198 HydrophobicContact CE-CB 4.23Å; M175-V198 HydrophobicContact CE-CG2 3.3Å; M175-V198 HydrophobicContact SD-CG2 4.15Å; E181-V198 PolarHBondContact O-N 3.14Å; V198-D200 VanDerWaalsContact C-N 3.27Å; V198-D200 PolarHBondContact O-N 3.34Å; V198-F201 PolarHBondContact O-N 2.86Å; V198-Q202 HydrophobicContact CG1-CG 4.13Å; V198-Q202 WeakPolarHBondContact O-CG 3.46Å; V198-Q202 PolarHBondContact O-N 2.8Å
199	K	76.3	Confident	84.2	Confident	136 Å²	136	61.9 Å²	61.9	59%	0.591	30%	0.299	S	S	*	.	H	α-helix	trans	-60.5	-38.6	177.2	-70.6	-175.5	178.6	-179.6	0	111.6	T197 Q202 K203	T197-K199 PolarHBondContact O-N 3.28Å; T197-K199 PolarHBondContact OG1-N 2.79Å; K199-Q202 PolarHBondContact O-N 3.45Å; K199-K203 VanDerWaalsContact O-CG 3.28Å; K199-K203 WeakPolarHBondContact O-CG 3.24Å; K199-K203 PolarHBondContact O-N 2.85Å
200	D	73.4	Confident	84.2	Confident	17 Å²	17	55.4 Å²	55.4	9%	0.091	27%	0.27	C	S	.	.	H	α-helix	trans	-71.7	-37.6	-178.9	-60.2	-42.7	0	0	0	111.6	S91 T197 V198 K203 A204	S91-D200 WeakPolarHBondContact O-CB 3.39Å; T197-D200 PolarHBondContact O-N 2.98Å; T197-D200 VanDerWaalsContact OG1-CG 3.26Å; T197-D200 PolarHBondContact OG1-N 3.23Å; T197-D200 PolarHBondContact OG1-OD2 3.42Å; V198-D200 VanDerWaalsContact C-N 3.27Å; V198-D200 PolarHBondContact O-N 3.34Å; D200-K203 PolarHBondContact O-N 3.2Å; D200-K203 IonicContact OD1-NZ 2.91Å; D200-K203 PolarHBondContact OD1-NZ 3.26Å; D200-A204 WeakPolarHBondContact O-CB 3.24Å; D200-A204 PolarHBondContact O-N 3.2Å
201	F	74	Confident	84.3	Confident	23 Å²	23	53.2 Å²	53.2	10%	0.101	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-45	170	-74.1	-55.2	0	0	0	112.8	R168 V171 L172 M175 I196 T197 V198 K203 A204 E205	R168-F201 HydrophobicContact CB-CE1 4.12Å; R168-F201 HydrophobicContact CB-CZ 4.46Å; R168-F201 HydrophobicContact CG-CD1 3.98Å; R168-F201 HydrophobicContact CG-CE1 3.42Å; R168-F201 VanDerWaalsContact CG-CE1 3.42Å; R168-F201 HydrophobicContact CG-CZ 3.93Å; V171-F201 HydrophobicContact CB-CZ 4.48Å; V171-F201 HydrophobicContact CG1-CE2 4.03Å; V171-F201 HydrophobicContact CG1-CZ 4.28Å; L172-F201 HydrophobicContact CD2-CB 4.33Å; L172-F201 HydrophobicContact CD2-CD2 3.42Å; L172-F201 VanDerWaalsContact CD2-CD2 3.42Å; L172-F201 HydrophobicContact CD2-CE2 3.8Å; L172-F201 HydrophobicContact CD2-CG 3.98Å; L172-F201 HydrophobicContact CG-CD2 4.02Å; L172-F201 HydrophobicContact CG-CE2 4Å; L172-F201 HydrophobicContact CG-CG 4.44Å; L172-F201 HydrophobicContact CG-CZ 4.46Å; M175-F201 HydrophobicContact SD-CE2 4.5Å; I196-F201 HydrophobicContact CG2-CD2 4.03Å; I196-F201 HydrophobicContact CG2-CE2 3.26Å; I196-F201 HydrophobicContact CG2-CZ 3.7Å; T197-F201 PolarHBondContact O-N 2.99Å; V198-F201 PolarHBondContact O-N 2.86Å; F201-K203 VanDerWaalsContact C-N 3.34Å; F201-K203 PolarHBondContact O-N 3.08Å; F201-A204 PolarHBondContact O-N 2.87Å; F201-E205 PolarHBondContact O-N 2.93Å
202	Q	75.2	Confident	84.2	Confident	89 Å²	89	53.9 Å²	53.9	42%	0.416	26%	0.263	S	S	.	.	H	α-helix	trans	-64.1	-37.8	177.9	-73.4	179.3	-8.3	0	0	112.4	V198 K199 R206	V198-Q202 HydrophobicContact CG1-CG 4.13Å; V198-Q202 WeakPolarHBondContact O-CG 3.46Å; V198-Q202 PolarHBondContact O-N 2.8Å; K199-Q202 PolarHBondContact O-N 3.45Å; Q202-R206 VanDerWaalsContact O-CG 3.26Å; Q202-R206 WeakPolarHBondContact O-CG 3.37Å; Q202-R206 PolarHBondContact O-N 2.91Å
203	K	71.8	Confident	84.2	Confident	68 Å²	68	54 Å²	54	30%	0.296	26%	0.264	S	S	.	.	H	α-helix	trans	-61.9	-47.4	173.3	-75.3	172.5	-173.4	166.8	0	110.7	H89 E90 K199 D200 F201 E205 R206 K207	H89-K203 PolarHBondContact O-NZ 2.95Å; E90-K203 HydrophobicContact CG-CB 4.01Å; E90-K203 HydrophobicContact CG-CD 3.87Å; K199-K203 VanDerWaalsContact O-CG 3.28Å; K199-K203 WeakPolarHBondContact O-CG 3.24Å; K199-K203 PolarHBondContact O-N 2.85Å; D200-K203 PolarHBondContact O-N 3.2Å; D200-K203 IonicContact OD1-NZ 2.91Å; D200-K203 PolarHBondContact OD1-NZ 3.26Å; F201-K203 VanDerWaalsContact C-N 3.34Å; F201-K203 PolarHBondContact O-N 3.08Å; K203-E205 VanDerWaalsContact C-N 3.35Å; K203-E205 PolarHBondContact O-N 3.38Å; K203-R206 PolarHBondContact O-N 3.23Å; K203-R206 VanDerWaalsContact O-N 3.16Å; K203-K207 PolarHBondContact O-N 3.39Å
204	A	72.6	Confident	84	Confident	25 Å²	25	58.7 Å²	58.7	21%	0.207	29%	0.285	C	S	.	.	H	α-helix	trans	-59.8	-42.2	179.9	0	0	0	0	0	112.4	D200 F201 R206 K207	D200-A204 WeakPolarHBondContact O-CB 3.24Å; D200-A204 PolarHBondContact O-N 3.2Å; F201-A204 PolarHBondContact O-N 2.87Å; A204-R206 VanDerWaalsContact C-N 3.34Å; A204-R206 PolarHBondContact O-N 2.87Å; A204-K207 CarbonylContact O-C 3.58Å; A204-K207 PolarHBondContact O-N 3.47Å
205	E	76.1	Confident	83.6	Confident	124 Å²	124	64 Å²	64	58%	0.579	31%	0.31	S	S	*	.	H	α-helix	trans	-64.8	-35	176.3	-76.7	-179	173.1	0	0	113.6	R168 F201 K203 K207	R168-E205 IonicContact CZ-OE1 3.03Å; R168-E205 VanDerWaalsContact NH2-CD 3.32Å; R168-E205 VanDerWaalsContact NH2-CG 3.32Å; R168-E205 IonicContact NH2-OE1 3.54Å; R168-E205 PolarHBondContact NH2-OE1 3.46Å; F201-E205 PolarHBondContact O-N 2.93Å; K203-E205 VanDerWaalsContact C-N 3.35Å; K203-E205 PolarHBondContact O-N 3.38Å; E205-K207 PolarHBondContact O-N 3Å
206	R	82.8	Confident	83.3	Confident	188 Å²	188	64.5 Å²	64.5	71%	0.709	32%	0.318	S	S	*	.	H	α-helix	trans	-71.3	-16.6	178.9	-71.6	171.2	-176.3	-172.2	2.8	112.8	Q202 K203 A204	Q202-R206 VanDerWaalsContact O-CG 3.26Å; Q202-R206 WeakPolarHBondContact O-CG 3.37Å; Q202-R206 PolarHBondContact O-N 2.91Å; K203-R206 PolarHBondContact O-N 3.23Å; K203-R206 VanDerWaalsContact O-N 3.16Å; A204-R206 VanDerWaalsContact C-N 3.34Å; A204-R206 PolarHBondContact O-N 2.87Å
207	K	86.6	Confident	83.4	Confident	42 Å²	42	66.6 Å²	66.6	18%	0.183	33%	0.325	C	S	.	.			trans	-129.1	64.8	-174.9	-61.8	-62.4	-166	170.3	0	110.5	Q63 E64 K203 A204 E205 N209 A210	Q63-K207 HydrophobicContact CB-CB 4.33Å; Q63-K207 HydrophobicContact CB-CD 3.85Å; Q63-K207 HydrophobicContact CB-CG 3.89Å; Q63-K207 HydrophobicContact CG-CB 4.49Å; Q63-K207 HydrophobicContact CG-CD 4.43Å; Q63-K207 HydrophobicContact CG-CG 3.99Å; E64-K207 IonicContact OE1-NZ 3.33Å; E64-K207 PolarHBondContact OE1-NZ 2.77Å; K203-K207 PolarHBondContact O-N 3.39Å; A204-K207 CarbonylContact O-C 3.58Å; A204-K207 PolarHBondContact O-N 3.47Å; E205-K207 PolarHBondContact O-N 3Å; K207-N209 PolarHBondContact O-N 3.1Å; K207-N209 VanDerWaalsContact O-N 3.14Å; K207-A210 HydrophobicContact CB-CB 4.2Å; K207-A210 VanDerWaalsContact O-CB 3.28Å; K207-A210 WeakPolarHBondContact O-CB 3.3Å; K207-A210 PolarHBondContact O-N 3.46Å
208	P	86.9	Confident	83.9	Confident	107 Å²	107	65.6 Å²	65.6	70%	0.695	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.7	-174.8	27.2	-35.9	0	0	0	113.2	A210	P208-A210 VanDerWaalsContact C-N 3.34Å
209	N	92.7	Very high	84.7	Confident	96 Å²	96	64.9 Å²	64.9	51%	0.513	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	8.7	179.6	-60.9	-30.1	0	0	0	113	N41 G65 K207 C211	N41-N209 WeakPolarHBondContact CB-O 3.27Å; N41-N209 PolarHBondContact ND2-O 2.9Å; G65-N209 WeakPolarHBondContact CA-O 3.5Å; G65-N209 PolarHBondContact N-O 3.31Å; K207-N209 PolarHBondContact O-N 3.1Å; K207-N209 VanDerWaalsContact O-N 3.14Å; N209-C211 PolarHBondContact O-N 3.39Å
210	A	94.7	Very high	85.8	Confident	10 Å²	10	58.4 Å²	58.4	8%	0.083	29%	0.285	C	S	.	.			trans	-59.9	135.5	-175.2	0	0	0	0	0	112.5	N41 A62 K207 P208 K212 L218	N41-A210 PolarHBondContact ND2-O 3.01Å; N41-A210 VanDerWaalsContact ND2-O 3.08Å; A62-A210 CarbonylContact O-C 3.51Å; A62-A210 VanDerWaalsContact O-CA 3.25Å; A62-A210 WeakPolarHBondContact O-CA 3.38Å; K207-A210 HydrophobicContact CB-CB 4.2Å; K207-A210 VanDerWaalsContact O-CB 3.28Å; K207-A210 WeakPolarHBondContact O-CB 3.3Å; K207-A210 PolarHBondContact O-N 3.46Å; P208-A210 VanDerWaalsContact C-N 3.34Å; A210-K212 HydrophobicContact CB-CD 4.22Å; A210-K212 HydrophobicContact CB-CG 4.18Å; A210-K212 PolarHBondContact O-N 3.34Å; A210-L218 HydrophobicContact CB-CD2 4.03Å
211	C	96	Very high	87	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.014	28%	0.28	C	S	.	.			trans	-81.8	108.9	173.2	-174.8	0	0	0	0	109	R39 A62 G66 N209 R219	R39-C211 PolarHBondContact O-SG 2.64Å; R39-C211 VanDerWaalsContact O-SG 3.36Å; A62-C211 PolarHBondContact O-N 3.38Å; G66-C211 WeakPolarHBondContact O-CB 3.44Å; N209-C211 PolarHBondContact O-N 3.39Å; C211-R219 PolarHBondContact O-N 2.86Å
212	K	93.4	Very high	88.2	Confident	56 Å²	56	56.5 Å²	56.5	24%	0.243	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-123.9	154.6	-173.5	-69.4	176	171.6	-175.8	0	111.8	E90 A210 G216 R217 L218 R219	E90-K212 WeakPolarHBondContact OE2-CE 3.45Å; E90-K212 IonicContact OE2-NZ 3.94Å; E90-K212 PolarHBondContact OE2-NZ 2.84Å; A210-K212 HydrophobicContact CB-CD 4.22Å; A210-K212 HydrophobicContact CB-CG 4.18Å; A210-K212 PolarHBondContact O-N 3.34Å; K212-G216 WeakPolarHBondContact CD-O 3.43Å; K212-R217 CarbonylContact C-O 3.53Å; K212-R217 WeakPolarHBondContact CA-O 3.17Å; K212-L218 HydrophobicContact CG-CD2 4.17Å; K212-R219 PolarHBondContact O-NE 3.37Å
213	D	92.6	Very high	89.3	Confident	12 Å²	12	52.3 Å²	52.3	6%	0.064	26%	0.256	C	S	.	.			trans	-81.1	178.8	167.5	71.1	14.9	0	0	0	111.9	K87 Q215 G216 R217 R219	K87-D213 WeakPolarHBondContact CE-OD2 3.21Å; K87-D213 IonicContact NZ-OD2 2.69Å; K87-D213 PolarHBondContact NZ-OD2 3.43Å; D213-Q215 PolarHBondContact O-N 2.78Å; D213-Q215 VanDerWaalsContact O-N 3.17Å; D213-Q215 WeakPolarHBondContact OD1-CA 3.46Å; D213-Q215 WeakPolarHBondContact OD1-CB 3.45Å; D213-Q215 PolarHBondContact OD1-N 3.18Å; D213-G216 PolarHBondContact O-N 3.03Å; D213-G216 PolarHBondContact OD1-N 3Å; D213-G216 VanDerWaalsContact OD1-N 3.16Å; D213-R217 PolarHBondContact N-O 3.29Å; D213-R217 WeakPolarHBondContact OD1-CB 3.43Å; D213-R217 PolarHBondContact OD1-N 3.22Å; D213-R217 IonicContact OD1-NE 3.16Å; D213-R217 IonicContact OD2-CZ 3.91Å; D213-R217 VanDerWaalsContact OD2-CZ 3.24Å; D213-R217 IonicContact OD2-NE 2.76Å; D213-R217 PolarHBondContact OD2-NE 3.06Å; D213-R217 IonicContact OD2-NH2 3.96Å; D213-R217 PolarHBondContact OD2-NH2 3.31Å; D213-R219 VanDerWaalsContact CA-CZ 3.48Å; D213-R219 HydrophobicContact CB-CG 4.38Å
214	E	87.3	Confident	90.5	Very high	157 Å²	157	49.1 Å²	49.1	73%	0.734	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.9	-177.9	-61.3	71.1	-155.3	0	0	112.1	R219	E214-R219 IonicContact OE1-CZ 2.77Å; E214-R219 IonicContact OE1-NH2 2.73Å; E214-R219 PolarHBondContact OE1-NH2 3.26Å; E214-R219 IonicContact OE2-NH1 3.67Å; E214-R219 IonicContact OE2-NH2 3.39Å; E214-R219 PolarHBondContact OE2-NH2 3.14Å
215	Q	81.7	Confident	91.5	Very high	112 Å²	112	48 Å²	48	52%	0.523	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	4	175.4	-58.6	179.1	3.6	0	0	112.4	D213 R217	D213-Q215 PolarHBondContact O-N 2.78Å; D213-Q215 VanDerWaalsContact O-N 3.17Å; D213-Q215 WeakPolarHBondContact OD1-CA 3.46Å; D213-Q215 WeakPolarHBondContact OD1-CB 3.45Å; D213-Q215 PolarHBondContact OD1-N 3.18Å; Q215-R217 VanDerWaalsContact C-N 3.29Å; Q215-R217 HydrophobicContact CB-CG 4.27Å; Q215-R217 PolarHBondContact O-N 2.93Å; Q215-R217 VanDerWaalsContact OE1-NH1 3.08Å
216	G	83.8	Confident	92.2	Very high	24 Å²	24	43 Å²	43	25%	0.247	21%	0.214	C	C	.	.	S	Bend	trans	75.9	13.9	-178.7	0	0	0	0	0	114.2	K212 D213	K212-G216 WeakPolarHBondContact CD-O 3.43Å; D213-G216 PolarHBondContact O-N 3.03Å; D213-G216 PolarHBondContact OD1-N 3Å; D213-G216 VanDerWaalsContact OD1-N 3.16Å
217	R	88.6	Confident	92.4	Very high	54 Å²	54	35.4 Å²	35.4	20%	0.204	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-87.7	145.1	177.2	-53.7	172.8	-59.3	-174.4	0.8	110.4	E90 K212 D213 Q215 R219	E90-R217 VanDerWaalsContact O-CA 3.3Å; E90-R217 WeakPolarHBondContact O-CA 3.17Å; K212-R217 CarbonylContact C-O 3.53Å; K212-R217 WeakPolarHBondContact CA-O 3.17Å; D213-R217 PolarHBondContact N-O 3.29Å; D213-R217 WeakPolarHBondContact OD1-CB 3.43Å; D213-R217 PolarHBondContact OD1-N 3.22Å; D213-R217 IonicContact OD1-NE 3.16Å; D213-R217 IonicContact OD2-CZ 3.91Å; D213-R217 VanDerWaalsContact OD2-CZ 3.24Å; D213-R217 IonicContact OD2-NE 2.76Å; D213-R217 PolarHBondContact OD2-NE 3.06Å; D213-R217 IonicContact OD2-NH2 3.96Å; D213-R217 PolarHBondContact OD2-NH2 3.31Å; Q215-R217 VanDerWaalsContact C-N 3.29Å; Q215-R217 HydrophobicContact CB-CG 4.27Å; Q215-R217 PolarHBondContact O-N 2.93Å; Q215-R217 VanDerWaalsContact OE1-NH1 3.08Å; R217-R219 PolarHBondContact O-N 3.25Å
218	L	94.3	Very high	92.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-56.8	138.6	175.6	-65.1	178.5	0	0	0	110.7	I59 A62 Q63 V86 K87 H89 E90 A210 K212	I59-L218 HydrophobicContact CB-CD1 4.43Å; I59-L218 HydrophobicContact CG1-CD1 4.46Å; I59-L218 HydrophobicContact CG2-CD1 4.01Å; A62-L218 HydrophobicContact CB-CB 3.91Å; A62-L218 HydrophobicContact CB-CD1 4.32Å; A62-L218 HydrophobicContact CB-CD2 4.06Å; A62-L218 HydrophobicContact CB-CG 4.31Å; Q63-L218 HydrophobicContact CG-CD1 3.96Å; Q63-L218 HydrophobicContact CG-CD2 4.19Å; V86-L218 HydrophobicContact CG1-CB 4.14Å; K87-L218 WeakPolarHBondContact CD-O 3.41Å; K87-L218 WeakPolarHBondContact CE-O 3.19Å; K87-L218 PolarHBondContact NZ-O 3.13Å; H89-L218 HydrophobicContact CB-CD1 4.29Å; E90-L218 HydrophobicContact CB-CG 4.21Å; A210-L218 HydrophobicContact CB-CD2 4.03Å; K212-L218 HydrophobicContact CG-CD2 4.17Å
219	R	98.1	Very high	92	Very high	20 Å²	20	35.2 Å²	35.2	8%	0.075	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-79.1	144.2	175.6	-64.9	-158.8	-177.6	-95.4	12.3	111.6	I67 C211 K212 D213 E214 R217 D243	I67-R219 HydrophobicContact CD1-CB 3.69Å; I67-R219 HydrophobicContact CG1-CB 3.88Å; C211-R219 PolarHBondContact O-N 2.86Å; K212-R219 PolarHBondContact O-NE 3.37Å; D213-R219 VanDerWaalsContact CA-CZ 3.48Å; D213-R219 HydrophobicContact CB-CG 4.38Å; E214-R219 IonicContact OE1-CZ 2.77Å; E214-R219 IonicContact OE1-NH2 2.73Å; E214-R219 PolarHBondContact OE1-NH2 3.26Å; E214-R219 IonicContact OE2-NH1 3.67Å; E214-R219 IonicContact OE2-NH2 3.39Å; E214-R219 PolarHBondContact OE2-NH2 3.14Å; R217-R219 PolarHBondContact O-N 3.25Å; R219-D243 VanDerWaalsContact CA-OD2 3.24Å; R219-D243 WeakPolarHBondContact CA-OD2 3.45Å; R219-D243 HydrophobicContact CB-CB 4.37Å; R219-D243 IonicContact CZ-OD1 2.6Å; R219-D243 IonicContact NH1-OD1 2.74Å; R219-D243 PolarHBondContact NH1-OD1 3.28Å
220	V	98.7	Very high	91.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.192	C	C	.	.			trans	-143.2	141.5	179	67.1	0	0	0	0	111.2	A58 I70 V83 V86 K87 D243	A58-V220 HydrophobicContact CB-CG2 4.28Å; I70-V220 HydrophobicContact CD1-CG2 4.31Å; I70-V220 HydrophobicContact CG1-CG2 3.93Å; V83-V220 HydrophobicContact CG1-CG1 3.85Å; V86-V220 HydrophobicContact CB-CB 4.02Å; V86-V220 HydrophobicContact CB-CG1 4.36Å; V86-V220 HydrophobicContact CB-CG2 4.04Å; V86-V220 HydrophobicContact CG1-CB 3.75Å; V86-V220 HydrophobicContact CG1-CG1 4.43Å; V86-V220 HydrophobicContact CG1-CG2 4.09Å; V86-V220 HydrophobicContact CG2-CB 4.42Å; V86-V220 HydrophobicContact CG2-CG2 3.9Å; K87-V220 HydrophobicContact CD-CG1 3.66Å; K87-V220 HydrophobicContact CG-CG1 4.11Å; V220-D243 PolarHBondContact N-OD2 3.27Å; V220-D243 WeakPolarHBondContact O-CB 3.43Å; V220-D243 PolarHBondContact O-N 3.09Å
221	G	98.9	Very high	91.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	161.6	168.6	0	0	0	0	0	112.1	G68 F69 I70 V244	G68-G221 PolarHBondContact O-N 3.02Å; F69-G221 CarbonylContact C-O 3.55Å; F69-G221 WeakPolarHBondContact CA-O 3.15Å; I70-G221 PolarHBondContact N-O 3.02Å; G221-V244 WeakPolarHBondContact CA-O 3.26Å
222	A	98.8	Very high	91.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	141.4	171.9	0	0	0	0	0	110.8	I70 V83 L237 V242 V244 L246	I70-A222 HydrophobicContact CB-CB 4.37Å; V83-A222 HydrophobicContact CG2-CB 4.07Å; A222-L237 HydrophobicContact CB-CD1 3.84Å; A222-L237 HydrophobicContact CB-CD2 3.79Å; A222-L237 HydrophobicContact CB-CG 4.37Å; A222-V242 HydrophobicContact CB-CG2 3.89Å; A222-V244 PolarHBondContact N-O 3.29Å; A222-L246 PolarHBondContact O-N 3.04Å
223	A	98.3	Very high	92.1	Very high	2 Å²	2	40 Å²	40	2%	0.017	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	145.8	177.5	0	0	0	0	0	112.2	A48 I70 K72 Q79 L246 D248	A48-A223 HydrophobicContact CB-CB 3.44Å; A48-A223 VanDerWaalsContact CB-CB 3.44Å; I70-A223 PolarHBondContact O-N 2.95Å; K72-A223 WeakPolarHBondContact CB-O 3.32Å; Q79-A223 PolarHBondContact NE2-O 3.11Å; A223-L246 CarbonylContact C-O 3.56Å; A223-L246 VanDerWaalsContact CA-O 3.25Å; A223-L246 WeakPolarHBondContact CA-O 3.27Å; A223-L246 HydrophobicContact CB-CB 4.44Å; A223-L246 HydrophobicContact CB-CD2 4.16Å; A223-L246 HydrophobicContact CB-CG 4.34Å; A223-D248 HydrophobicContact CB-CB 4.49Å
224	V	97.8	Very high	92.4	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	158.1	169.5	-63.1	0	0	0	0	109.7	R233 V234 L237 L245 L246 I247 D248	V224-R233 HydrophobicContact CG1-CG 3.96Å; V224-V234 HydrophobicContact CG1-CG2 4.11Å; V224-V234 HydrophobicContact CG2-CG2 4.16Å; V224-L237 HydrophobicContact CG1-CD1 3.61Å; V224-L245 HydrophobicContact CG1-CD1 3.85Å; V224-L245 HydrophobicContact CG2-CD1 4.16Å; V224-L245 HydrophobicContact CG2-CD2 4.01Å; V224-L245 HydrophobicContact CG2-CG 4.06Å; V224-L246 PolarHBondContact N-O 3.03Å; V224-I247 HydrophobicContact CG2-CG1 3.79Å; V224-D248 PolarHBondContact O-N 2.91Å
225	G	94.3	Very high	92.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.207	C	C	.	.			trans	-81.5	173.7	173.3	0	0	0	0	0	112.5	K72 N230 D400	K72-G225 VanDerWaalsContact NZ-CA 3.3Å; G225-N230 PolarHBondContact N-OD1 3.1Å; G225-D400 WeakPolarHBondContact CA-OD2 3.28Å
226	A	90.9	Very high	93.7	Very high	21 Å²	21	30.5 Å²	30.5	17%	0.174	19%	0.192	C	C	.	.	S	Bend	trans	-91.4	-14.9	171.1	0	0	0	0	0	113.4	V257	A226-V257 HydrophobicContact CB-CB 4.31Å; A226-V257 HydrophobicContact CB-CG2 3.59Å
227	G	86.1	Confident	94.4	Very high	28 Å²	28	29.4 Å²	29.4	29%	0.289	18%	0.18	S	C	.	.	S	Bend	trans	-64.5	169.2	-178.2	0	0	0	0	0	114.5	N230 R260	G227-N230 PolarHBondContact O-ND2 3.44Å; G227-R260 PolarHBondContact O-NH2 2.95Å; G227-R260 VanDerWaalsContact O-NH2 3.1Å
228	A	83	Confident	94.9	Very high	98 Å²	98	29 Å²	29	81%	0.81	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	149.3	172.9	0	0	0	0	0	111.7	N230	A228-N230 VanDerWaalsContact C-N 3.34Å
229	G	82.1	Confident	95	Very high	46 Å²	46	33.2 Å²	33.2	47%	0.474	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	2	178.9	0	0	0	0	0	114.7	E231	G229-E231 VanDerWaalsContact C-N 3.29Å; G229-E231 WeakPolarHBondContact CA-OE2 3.39Å; G229-E231 PolarHBondContact N-OE2 3.25Å
230	N	91.4	Very high	94.9	Very high	14 Å²	14	32.7 Å²	32.7	8%	0.075	22%	0.219	C	C	.	.	H	α-helix	trans	-79.7	-11.7	173.4	-77.5	-84.2	0	0	0	112.5	G225 G227 A228 R233 V234	G225-N230 PolarHBondContact N-OD1 3.1Å; G227-N230 PolarHBondContact O-ND2 3.44Å; A228-N230 VanDerWaalsContact C-N 3.34Å; N230-R233 WeakPolarHBondContact O-CB 3.27Å; N230-R233 PolarHBondContact O-N 2.65Å; N230-V234 WeakPolarHBondContact O-CG2 3.49Å; N230-V234 PolarHBondContact O-N 3.28Å
231	E	94.3	Very high	94.8	Very high	79 Å²	79	33.8 Å²	33.8	37%	0.369	23%	0.23	S	C	.	.	H	α-helix	trans	-58.6	-51.4	177.3	-62.2	86.4	164.3	0	0	111.2	G229 R233 V234 D235 R260	G229-E231 VanDerWaalsContact C-N 3.29Å; G229-E231 WeakPolarHBondContact CA-OE2 3.39Å; G229-E231 PolarHBondContact N-OE2 3.25Å; E231-R233 PolarHBondContact O-N 3.09Å; E231-V234 PolarHBondContact O-N 2.84Å; E231-V234 VanDerWaalsContact O-N 3.16Å; E231-D235 VanDerWaalsContact O-CG 3.26Å; E231-D235 PolarHBondContact O-N 2.9Å; E231-D235 VanDerWaalsContact O-OD1 3.04Å; E231-R260 IonicContact OE1-CZ 3.28Å; E231-R260 IonicContact OE1-NH1 3.34Å; E231-R260 PolarHBondContact OE1-NH1 3.34Å; E231-R260 IonicContact OE1-NH2 2.68Å; E231-R260 PolarHBondContact OE1-NH2 3.05Å; E231-R260 IonicContact OE2-CZ 3.96Å; E231-R260 IonicContact OE2-NH1 2.7Å; E231-R260 IonicContact OE2-NH2 2.88Å; E231-R260 PolarHBondContact OE2-NH2 3.07Å
232	E	96.2	Very high	94.8	Very high	139 Å²	139	34.4 Å²	34.4	65%	0.65	23%	0.234	S	C	*	.	H	α-helix	trans	-61	-36	176.8	-65.1	-179.8	178.2	0	0	111.8	I76 D235 A236	I76-E232 HydrophobicContact CD1-CB 4.01Å; E232-D235 PolarHBondContact O-N 3.21Å; E232-A236 WeakPolarHBondContact O-CB 3.5Å; E232-A236 PolarHBondContact O-N 3.39Å
233	R	97.8	Very high	94.8	Very high	33 Å²	33	35.4 Å²	35.4	13%	0.125	24%	0.239	C	C	.	.	H	α-helix	trans	-65.3	-45.7	175.7	-172.7	176.9	-72	-84	3.5	111.2	M74 S75 I76 Q79 V224 N230 E231 D235 A236 L237	M74-R233 PolarHBondContact O-NH1 3.32Å; M74-R233 PolarHBondContact O-NH2 3.04Å; S75-R233 PolarHBondContact O-NH1 3.05Å; I76-R233 HydrophobicContact CD1-CB 4.06Å; I76-R233 HydrophobicContact CG1-CB 3.86Å; I76-R233 HydrophobicContact CG1-CG 4.12Å; I76-R233 HydrophobicContact CG2-CB 4.48Å; Q79-R233 VanDerWaalsContact OE1-CD 3.25Å; V224-R233 HydrophobicContact CG1-CG 3.96Å; N230-R233 WeakPolarHBondContact O-CB 3.27Å; N230-R233 PolarHBondContact O-N 2.65Å; E231-R233 PolarHBondContact O-N 3.09Å; R233-D235 VanDerWaalsContact C-N 3.35Å; R233-A236 PolarHBondContact O-N 2.64Å; R233-L237 HydrophobicContact CG-CD1 4.07Å; R233-L237 WeakPolarHBondContact O-CG 3.14Å; R233-L237 PolarHBondContact O-N 3.43Å
234	V	98.3	Very high	94.8	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.024	24%	0.238	C	C	.	.	H	α-helix	trans	-60.4	-47.2	176	175.2	0	0	0	0	110.1	V224 N230 E231 A236 L237 V238 L245 T264 Y268	V224-V234 HydrophobicContact CG1-CG2 4.11Å; V224-V234 HydrophobicContact CG2-CG2 4.16Å; N230-V234 WeakPolarHBondContact O-CG2 3.49Å; N230-V234 PolarHBondContact O-N 3.28Å; E231-V234 PolarHBondContact O-N 2.84Å; E231-V234 VanDerWaalsContact O-N 3.16Å; V234-A236 VanDerWaalsContact C-N 3.32Å; V234-A236 PolarHBondContact O-N 3.31Å; V234-L237 PolarHBondContact O-N 2.86Å; V234-L237 VanDerWaalsContact O-N 3.11Å; V234-V238 HydrophobicContact CG1-CG2 4.13Å; V234-V238 WeakPolarHBondContact O-CG2 3.45Å; V234-V238 PolarHBondContact O-N 3Å; V234-L245 HydrophobicContact CG1-CD2 3.99Å; V234-L245 HydrophobicContact CG2-CD1 4.37Å; V234-L245 HydrophobicContact CG2-CD2 3.75Å; V234-T264 HydrophobicContact CG1-CG2 4.19Å; V234-Y268 HydrophobicContact CG1-CD2 3.97Å; V234-Y268 HydrophobicContact CG1-CE2 3.68Å
235	D	98.1	Very high	94.8	Very high	53 Å²	53	35.3 Å²	35.3	28%	0.283	24%	0.238	S	C	.	.	H	α-helix	trans	-57.4	-46.3	-179.5	-67.1	7.8	0	0	0	111.5	E231 E232 R233 L237 V238 A239 K267 Y268	E231-D235 VanDerWaalsContact O-CG 3.26Å; E231-D235 PolarHBondContact O-N 2.9Å; E231-D235 VanDerWaalsContact O-OD1 3.04Å; E232-D235 PolarHBondContact O-N 3.21Å; R233-D235 VanDerWaalsContact C-N 3.35Å; D235-L237 PolarHBondContact O-N 2.83Å; D235-V238 PolarHBondContact O-N 3.2Å; D235-A239 WeakPolarHBondContact O-CB 3.46Å; D235-A239 PolarHBondContact O-N 3.44Å; D235-K267 WeakPolarHBondContact OD1-CE 3.35Å; D235-K267 IonicContact OD1-NZ 2.74Å; D235-K267 PolarHBondContact OD1-NZ 3.11Å; D235-K267 IonicContact OD2-NZ 3.19Å; D235-K267 PolarHBondContact OD2-NZ 2.83Å; D235-Y268 PolarHBondContact OD1-OH 2.91Å
236	A	98.3	Very high	95.1	Very high	25 Å²	25	35.3 Å²	35.3	21%	0.207	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-36.9	177.7	0	0	0	0	0	113	I76 A80 E232 R233 V234 A240	I76-A236 HydrophobicContact CG2-CB 3.39Å; A80-A236 HydrophobicContact CB-CB 4.25Å; E232-A236 WeakPolarHBondContact O-CB 3.5Å; E232-A236 PolarHBondContact O-N 3.39Å; R233-A236 PolarHBondContact O-N 2.64Å; V234-A236 VanDerWaalsContact C-N 3.32Å; V234-A236 PolarHBondContact O-N 3.31Å; A236-A240 WeakPolarHBondContact O-CB 3.26Å; A236-A240 PolarHBondContact O-N 3.06Å
237	L	98.6	Very high	95.4	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-71.6	-40.6	177.8	-68	169.6	0	0	0	112	Q79 V83 A222 V224 R233 V234 D235 A240 G241 V242 L245	Q79-L237 HydrophobicContact CB-CD2 4.29Å; Q79-L237 HydrophobicContact CG-CD2 3.89Å; V83-L237 HydrophobicContact CG2-CD2 3.79Å; A222-L237 HydrophobicContact CB-CD1 3.84Å; A222-L237 HydrophobicContact CB-CD2 3.79Å; A222-L237 HydrophobicContact CB-CG 4.37Å; V224-L237 HydrophobicContact CG1-CD1 3.61Å; R233-L237 HydrophobicContact CG-CD1 4.07Å; R233-L237 WeakPolarHBondContact O-CG 3.14Å; R233-L237 PolarHBondContact O-N 3.43Å; V234-L237 PolarHBondContact O-N 2.86Å; V234-L237 VanDerWaalsContact O-N 3.11Å; D235-L237 PolarHBondContact O-N 2.83Å; L237-A240 WeakPolarHBondContact O-CB 3.35Å; L237-A240 PolarHBondContact O-N 3.33Å; L237-G241 PolarHBondContact O-N 3.37Å; L237-V242 HydrophobicContact CB-CB 4.39Å; L237-V242 HydrophobicContact CB-CG1 4.01Å; L237-V242 WeakPolarHBondContact O-CB 3.41Å; L237-V242 WeakPolarHBondContact O-CG1 3.42Å; L237-V242 PolarHBondContact O-N 3.49Å; L237-V242 VanDerWaalsContact O-N 3.11Å; L237-L245 HydrophobicContact CD1-CD1 3.92Å
238	V	98.3	Very high	95.9	Very high	45 Å²	45	33.3 Å²	33.3	27%	0.273	22%	0.218	S	C	.	.	H	α-helix	trans	-63	-46.3	173.9	173.9	0	0	0	0	110	V234 D235 A240 G241 Y268 L271	V234-V238 HydrophobicContact CG1-CG2 4.13Å; V234-V238 WeakPolarHBondContact O-CG2 3.45Å; V234-V238 PolarHBondContact O-N 3Å; D235-V238 PolarHBondContact O-N 3.2Å; V238-A240 PolarHBondContact O-N 2.96Å; V238-G241 PolarHBondContact O-N 2.92Å; V238-Y268 HydrophobicContact CB-CE1 4.15Å; V238-Y268 HydrophobicContact CG1-CD1 4.06Å; V238-Y268 HydrophobicContact CG1-CE1 3.72Å; V238-Y268 HydrophobicContact CG2-CD1 4.24Å; V238-Y268 HydrophobicContact CG2-CD2 4.36Å; V238-Y268 HydrophobicContact CG2-CE1 4.09Å; V238-Y268 HydrophobicContact CG2-CE2 4.21Å; V238-Y268 HydrophobicContact CG2-CG 4.37Å; V238-L271 HydrophobicContact CG2-CD1 4.37Å; V238-L271 HydrophobicContact CG2-CD2 3.94Å
239	A	97.3	Very high	96.6	Very high	88 Å²	88	28.8 Å²	28.8	73%	0.727	18%	0.18	S	C	*	.	H	α-helix	trans	-61.6	-30.6	175	0	0	0	0	0	113	D235 G241	D235-A239 WeakPolarHBondContact O-CB 3.46Å; D235-A239 PolarHBondContact O-N 3.44Å; A239-G241 VanDerWaalsContact C-N 3.25Å; A239-G241 PolarHBondContact O-N 3.2Å
240	A	96.1	Very high	97.1	Very high	10 Å²	10	27.7 Å²	27.7	8%	0.083	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-9.3	173.6	0	0	0	0	0	114.1	A80 V83 R84 A236 L237 V238	A80-A240 HydrophobicContact CB-CB 4.11Å; V83-A240 HydrophobicContact CB-CB 4.09Å; V83-A240 HydrophobicContact CG1-CB 3.79Å; R84-A240 HydrophobicContact CG-CB 3.83Å; A236-A240 WeakPolarHBondContact O-CB 3.26Å; A236-A240 PolarHBondContact O-N 3.06Å; L237-A240 WeakPolarHBondContact O-CB 3.35Å; L237-A240 PolarHBondContact O-N 3.33Å; V238-A240 PolarHBondContact O-N 2.96Å
241	G	96.1	Very high	97.4	Very high	23 Å²	23	31.5 Å²	31.5	24%	0.237	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	34.1	178.3	0	0	0	0	0	114.5	K87 L237 V238 A239	K87-G241 WeakPolarHBondContact CD-O 3.12Å; K87-G241 WeakPolarHBondContact CE-O 3.21Å; L237-G241 PolarHBondContact O-N 3.37Å; V238-G241 PolarHBondContact O-N 2.92Å; A239-G241 VanDerWaalsContact C-N 3.25Å; A239-G241 PolarHBondContact O-N 3.2Å
242	V	98.5	Very high	97.6	Very high	13 Å²	13	27.8 Å²	27.8	8%	0.079	17%	0.165	C	C	.	.			trans	-59.5	135.1	171.9	71.9	0	0	0	0	110.8	V83 A222 L237 V244 L271	V83-V242 HydrophobicContact CG1-CB 4.14Å; A222-V242 HydrophobicContact CB-CG2 3.89Å; L237-V242 HydrophobicContact CB-CB 4.39Å; L237-V242 HydrophobicContact CB-CG1 4.01Å; L237-V242 WeakPolarHBondContact O-CB 3.41Å; L237-V242 WeakPolarHBondContact O-CG1 3.42Å; L237-V242 PolarHBondContact O-N 3.49Å; L237-V242 VanDerWaalsContact O-N 3.11Å; V242-V244 WeakPolarHBondContact CG2-O 3.22Å; V242-L271 HydrophobicContact CG1-CD1 4.42Å
243	D	98.6	Very high	97.7	Very high	21 Å²	21	24.6 Å²	24.6	11%	0.112	15%	0.15	C	C	.	.	S	Bend	trans	-81.7	-36.4	-179.7	-63	-100.9	0	0	0	112	I38 K87 R219 V220	I38-D243 HydrophobicContact CD1-CB 4.3Å; I38-D243 WeakPolarHBondContact CD1-O 3.17Å; K87-D243 IonicContact NZ-OD1 2.85Å; K87-D243 PolarHBondContact NZ-OD1 2.88Å; K87-D243 IonicContact NZ-OD2 3.54Å; K87-D243 PolarHBondContact NZ-OD2 2.7Å; R219-D243 VanDerWaalsContact CA-OD2 3.24Å; R219-D243 WeakPolarHBondContact CA-OD2 3.45Å; R219-D243 HydrophobicContact CB-CB 4.37Å; R219-D243 IonicContact CZ-OD1 2.6Å; R219-D243 IonicContact NH1-OD1 2.74Å; R219-D243 PolarHBondContact NH1-OD1 3.28Å; V220-D243 PolarHBondContact N-OD2 3.27Å; V220-D243 WeakPolarHBondContact O-CB 3.43Å; V220-D243 PolarHBondContact O-N 3.09Å
244	V	98.8	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	127.4	-176.3	58.7	0	0	0	0	111.5	L34 I38 I67 F69 G221 A222 V242 Q272 I274	L34-V244 HydrophobicContact CD2-CG1 4.29Å; I38-V244 HydrophobicContact CD1-CB 3.84Å; I38-V244 HydrophobicContact CD1-CG1 4.45Å; I67-V244 HydrophobicContact CG2-CG1 4.38Å; F69-V244 HydrophobicContact CE1-CG1 3.82Å; F69-V244 HydrophobicContact CE1-CG2 4.42Å; F69-V244 HydrophobicContact CZ-CG1 3.64Å; F69-V244 HydrophobicContact CZ-CG2 4.41Å; G221-V244 WeakPolarHBondContact CA-O 3.26Å; A222-V244 PolarHBondContact N-O 3.29Å; V242-V244 WeakPolarHBondContact CG2-O 3.22Å; V244-Q272 WeakPolarHBondContact CA-O 3.3Å; V244-Q272 HydrophobicContact CB-CB 4.19Å; V244-Q272 HydrophobicContact CG2-CB 4.07Å; V244-I274 HydrophobicContact CG2-CD1 3.51Å; V244-I274 HydrophobicContact CG2-CG1 3.77Å
245	L	98.8	Very high	97.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	133.6	177.5	-168.4	78.2	0	0	0	109.9	V224 V234 L237 I247 T264 L271 Q272 I273 I274	V224-L245 HydrophobicContact CG1-CD1 3.85Å; V224-L245 HydrophobicContact CG2-CD1 4.16Å; V224-L245 HydrophobicContact CG2-CD2 4.01Å; V224-L245 HydrophobicContact CG2-CG 4.06Å; V234-L245 HydrophobicContact CG1-CD2 3.99Å; V234-L245 HydrophobicContact CG2-CD1 4.37Å; V234-L245 HydrophobicContact CG2-CD2 3.75Å; L237-L245 HydrophobicContact CD1-CD1 3.92Å; L245-I247 HydrophobicContact CD2-CG1 4.37Å; L245-T264 HydrophobicContact CD2-CG2 3.77Å; L245-L271 HydrophobicContact CB-CD2 4.01Å; L245-L271 HydrophobicContact CB-CG 4.37Å; L245-L271 HydrophobicContact CD2-CD2 4.1Å; L245-Q272 PolarHBondContact N-O 3.36Å; L245-I273 CarbonylContact O-C 3.57Å; L245-I273 WeakPolarHBondContact O-CA 3.35Å; L245-I274 PolarHBondContact O-N 3.33Å
246	L	98.8	Very high	97.4	Very high	0 Å²	0	29 Å²	29	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.1	172.4	165.7	62.3	0	0	0	109.9	A48 F69 A222 A223 V224 D248 I274 K296 M359	A48-L246 HydrophobicContact CB-CD2 4.13Å; F69-L246 HydrophobicContact CD1-CB 3.61Å; F69-L246 HydrophobicContact CD1-CD2 4.03Å; F69-L246 HydrophobicContact CD1-CG 4.47Å; F69-L246 HydrophobicContact CE1-CB 3.68Å; F69-L246 HydrophobicContact CG-CD2 4.39Å; A222-L246 PolarHBondContact O-N 3.04Å; A223-L246 CarbonylContact C-O 3.56Å; A223-L246 VanDerWaalsContact CA-O 3.25Å; A223-L246 WeakPolarHBondContact CA-O 3.27Å; A223-L246 HydrophobicContact CB-CB 4.44Å; A223-L246 HydrophobicContact CB-CD2 4.16Å; A223-L246 HydrophobicContact CB-CG 4.34Å; V224-L246 PolarHBondContact N-O 3.03Å; L246-D248 HydrophobicContact CD1-CB 4.38Å; L246-D248 HydrophobicContact CD2-CB 4.18Å; L246-D248 HydrophobicContact CG-CB 3.98Å; L246-D248 PolarHBondContact O-N 3.4Å; L246-I274 WeakPolarHBondContact CA-O 3.47Å; L246-I274 HydrophobicContact CD1-CB 4.06Å; L246-I274 HydrophobicContact CD1-CG2 3.66Å; L246-K296 HydrophobicContact CD1-CD 4.23Å; L246-M359 HydrophobicContact CD2-CE 4.38Å
247	I	98.4	Very high	97.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	102.1	167.7	-63.7	168.9	0	0	0	107.1	V224 L245 V257 R260 I261 I273 I274 G276	V224-I247 HydrophobicContact CG2-CG1 3.79Å; L245-I247 HydrophobicContact CD2-CG1 4.37Å; I247-V257 HydrophobicContact CG2-CG1 4.2Å; I247-R260 HydrophobicContact CD1-CG 4.2Å; I247-R260 HydrophobicContact CG2-CG 4.45Å; I247-I261 HydrophobicContact CB-CG1 4.39Å; I247-I261 HydrophobicContact CD1-CB 4.27Å; I247-I261 HydrophobicContact CD1-CG1 3.55Å; I247-I261 HydrophobicContact CG2-CG1 4.37Å; I247-I273 HydrophobicContact CD1-CG2 4Å; I247-I274 PolarHBondContact N-O 3.06Å; I247-G276 PolarHBondContact O-N 2.91Å
248	D	97.1	Very high	97.4	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.037	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117.4	-169.5	-160.1	24.2	0	0	0	111.8	A223 V224 L246 K296 R401	A223-D248 HydrophobicContact CB-CB 4.49Å; V224-D248 PolarHBondContact O-N 2.91Å; L246-D248 HydrophobicContact CD1-CB 4.38Å; L246-D248 HydrophobicContact CD2-CB 4.18Å; L246-D248 HydrophobicContact CG-CB 3.98Å; L246-D248 PolarHBondContact O-N 3.4Å; D248-K296 IonicContact OD1-NZ 3.8Å; D248-K296 PolarHBondContact OD1-NZ 2.99Å; D248-R401 IonicContact OD1-CZ 2.83Å; D248-R401 IonicContact OD1-NH2 3.6Å; D248-R401 PolarHBondContact OD1-NH2 3.13Å; D248-R401 IonicContact OD2-CZ 2.79Å; D248-R401 IonicContact OD2-NE 2.78Å; D248-R401 IonicContact OD2-NH1 3.69Å; D248-R401 PolarHBondContact OD2-NH1 3.12Å; D248-R401 IonicContact OD2-NH2 3.37Å; D248-R401 PolarHBondContact OD2-NH2 3.34Å
249	S	96.2	Very high	97.3	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.021	18%	0.181	C	C	.	.			trans	-135	152.1	178.4	-179.7	0	0	0	0	111.3	H251 G276 N277	S249-H251 PolarHBondContact O-N 3.16Å; S249-H251 PolarHBondContact OG-N 3.34Å; S249-H251 VanDerWaalsContact OG-N 3.07Å; S249-H251 PolarHBondContact OG-O 3.22Å; S249-G276 PolarHBondContact N-O 3.12Å; S249-G276 CarbonylContact O-C 3.57Å; S249-N277 PolarHBondContact O-N 3Å
250	S	94.1	Very high	97.3	Very high	23 Å²	23	26.3 Å²	26.3	16%	0.161	15%	0.15	C	C	.	.	S	Bend	trans	-68.7	-18.2	167.3	62.1	0	0	0	0	112.3	I299 R401 F403	S250-I299 WeakPolarHBondContact O-CD1 3.4Å; S250-R401 WeakPolarHBondContact CB-O 3.32Å; S250-R401 PolarHBondContact N-O 3.01Å; S250-R401 PolarHBondContact OG-O 3.34Å; S250-F403 WeakPolarHBondContact OG-CE2 3.32Å
251	H	97.2	Very high	97.4	Very high	95 Å²	95	25.8 Å²	25.8	44%	0.44	15%	0.146	S	C	.	.			trans	-141.8	85.8	177.3	-171.4	35.2	0	0	0	111.5	S249 H253 S254 F403	S249-H251 PolarHBondContact O-N 3.16Å; S249-H251 PolarHBondContact OG-N 3.34Å; S249-H251 VanDerWaalsContact OG-N 3.07Å; S249-H251 PolarHBondContact OG-O 3.22Å; H251-H253 PolarHBondContact O-N 3.47Å; H251-S254 WeakPolarHBondContact O-CB 3.29Å; H251-S254 PolarHBondContact O-N 3.43Å; H251-S254 PolarHBondContact O-OG 3Å; H251-F403 HydrophobicContact CB-CE2 3.77Å; H251-F403 HydrophobicContact CB-CZ 3.94Å
252	G	97.8	Very high	97.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.7	-178.7	0	0	0	0	0	114.7	S254 N277 L287	G252-S254 VanDerWaalsContact C-N 3.28Å; G252-S254 PolarHBondContact O-N 3.07Å; G252-N277 WeakPolarHBondContact CA-O 3.38Å; G252-N277 PolarHBondContact N-O 3.39Å; G252-L287 WeakPolarHBondContact O-CD2 3.17Å
253	H	98.2	Very high	97.5	Very high	73 Å²	73	32.3 Å²	32.3	34%	0.338	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	11.7	176.4	-158.3	-172.2	0	0	0	113.1	H251 V278	H251-H253 PolarHBondContact O-N 3.47Å; H253-V278 HydrophobicContact CB-CG1 4.45Å
254	S	97.4	Very high	97.5	Very high	21 Å²	21	31.8 Å²	31.8	15%	0.147	16%	0.163	C	C	.	.	S	Bend	trans	-80.2	143	171.9	60.1	0	0	0	0	111.1	H251 G252 G256 V257 L258	H251-S254 WeakPolarHBondContact O-CB 3.29Å; H251-S254 PolarHBondContact O-N 3.43Å; H251-S254 PolarHBondContact O-OG 3Å; G252-S254 VanDerWaalsContact C-N 3.28Å; G252-S254 PolarHBondContact O-N 3.07Å; S254-G256 PolarHBondContact O-N 2.75Å; S254-V257 PolarHBondContact O-N 2.82Å; S254-V257 WeakPolarHBondContact OG-CG2 3.45Å; S254-L258 PolarHBondContact O-N 2.64Å; S254-L258 VanDerWaalsContact O-N 3.12Å
255	E	96.9	Very high	97.5	Very high	113 Å²	113	34.3 Å²	34.3	53%	0.528	17%	0.173	S	C	.	.	H	α-helix	trans	-58.5	-36.2	-177.3	-174.8	55.1	-147.7	0	0	112.6	V257 L258 Q259 R262	E255-V257 VanDerWaalsContact C-N 3.3Å; E255-V257 PolarHBondContact O-N 2.64Å; E255-L258 PolarHBondContact O-N 2.86Å; E255-Q259 VanDerWaalsContact O-CB 3.28Å; E255-Q259 WeakPolarHBondContact O-CB 3.14Å; E255-Q259 PolarHBondContact O-N 3.18Å; E255-R262 IonicContact OE1-CZ 3.44Å; E255-R262 IonicContact OE1-NH1 3.71Å; E255-R262 PolarHBondContact OE1-NH1 3.3Å; E255-R262 IonicContact OE1-NH2 3.11Å; E255-R262 PolarHBondContact OE1-NH2 3.37Å; E255-R262 IonicContact OE2-NH2 2.73Å
256	G	94.9	Very high	97.4	Very high	49 Å²	49	38 Å²	38	51%	0.505	20%	0.203	S	C	.	.	H	α-helix	trans	-60.7	-37.3	175.9	0	0	0	0	0	113.3	S254 R260	S254-G256 PolarHBondContact O-N 2.75Å; G256-R260 WeakPolarHBondContact O-CB 2.95Å; G256-R260 PolarHBondContact O-N 2.85Å; G256-R260 VanDerWaalsContact O-N 3.08Å
257	V	97.4	Very high	97.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-70.1	-46.4	175.1	175.8	0	0	0	0	110.6	A226 I247 S254 E255 Q259 R260 I261 L287	A226-V257 HydrophobicContact CB-CB 4.31Å; A226-V257 HydrophobicContact CB-CG2 3.59Å; I247-V257 HydrophobicContact CG2-CG1 4.2Å; S254-V257 PolarHBondContact O-N 2.82Å; S254-V257 WeakPolarHBondContact OG-CG2 3.45Å; E255-V257 VanDerWaalsContact C-N 3.3Å; E255-V257 PolarHBondContact O-N 2.64Å; V257-Q259 VanDerWaalsContact C-N 3.31Å; V257-Q259 PolarHBondContact O-N 2.74Å; V257-R260 PolarHBondContact O-N 3.38Å; V257-I261 HydrophobicContact CG1-CD1 3.84Å; V257-I261 WeakPolarHBondContact O-CD1 3.5Å; V257-I261 WeakPolarHBondContact O-CG1 3.23Å; V257-I261 PolarHBondContact O-N 2.87Å; V257-L287 HydrophobicContact CG1-CD2 4.38Å
258	L	98.4	Very high	97.4	Very high	10 Å²	10	45.6 Å²	45.6	5%	0.052	24%	0.235	C	C	.	.	H	α-helix	trans	-59	-45.1	178.8	-59.2	-177.2	0	0	0	111.1	S254 E255 I261 R262 A286 L287 A290	S254-L258 PolarHBondContact O-N 2.64Å; S254-L258 VanDerWaalsContact O-N 3.12Å; E255-L258 PolarHBondContact O-N 2.86Å; L258-I261 PolarHBondContact O-N 2.89Å; L258-R262 WeakPolarHBondContact O-CG 3.38Å; L258-R262 PolarHBondContact O-N 3.18Å; L258-A286 HydrophobicContact CD1-CB 3.98Å; L258-A286 HydrophobicContact CD2-CB 3.99Å; L258-L287 HydrophobicContact CD2-CD2 3.85Å; L258-L287 HydrophobicContact CD2-CG 4.4Å; L258-A290 HydrophobicContact CB-CB 4.46Å; L258-A290 HydrophobicContact CD2-CB 4.35Å
259	Q	97.4	Very high	97.4	Very high	73 Å²	73	49.3 Å²	49.3	34%	0.341	26%	0.26	S	S	.	.	H	α-helix	trans	-63.8	-43.2	178.8	-175.5	55.6	25.3	0	0	112.1	E255 V257 I261 R262 E263	E255-Q259 VanDerWaalsContact O-CB 3.28Å; E255-Q259 WeakPolarHBondContact O-CB 3.14Å; E255-Q259 PolarHBondContact O-N 3.18Å; V257-Q259 VanDerWaalsContact C-N 3.31Å; V257-Q259 PolarHBondContact O-N 2.74Å; Q259-I261 VanDerWaalsContact C-N 3.28Å; Q259-I261 PolarHBondContact O-N 2.8Å; Q259-R262 PolarHBondContact O-N 3.4Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.32Å; Q259-E263 PolarHBondContact NE2-OE1 3.39Å; Q259-E263 WeakPolarHBondContact O-CG 3.27Å; Q259-E263 PolarHBondContact O-N 3.27Å
260	R	97.2	Very high	97.5	Very high	18 Å²	18	56.2 Å²	56.2	7%	0.068	30%	0.296	C	S	.	.	H	α-helix	trans	-59	-39.3	174.4	-179.9	59.2	65.8	-162.5	22.9	112.4	G227 E231 I247 G256 V257 E263 T264	G227-R260 PolarHBondContact O-NH2 2.95Å; G227-R260 VanDerWaalsContact O-NH2 3.1Å; E231-R260 IonicContact OE1-CZ 3.28Å; E231-R260 IonicContact OE1-NH1 3.34Å; E231-R260 PolarHBondContact OE1-NH1 3.34Å; E231-R260 IonicContact OE1-NH2 2.68Å; E231-R260 PolarHBondContact OE1-NH2 3.05Å; E231-R260 IonicContact OE2-CZ 3.96Å; E231-R260 IonicContact OE2-NH1 2.7Å; E231-R260 IonicContact OE2-NH2 2.88Å; E231-R260 PolarHBondContact OE2-NH2 3.07Å; I247-R260 HydrophobicContact CD1-CG 4.2Å; I247-R260 HydrophobicContact CG2-CG 4.45Å; G256-R260 WeakPolarHBondContact O-CB 2.95Å; G256-R260 PolarHBondContact O-N 2.85Å; G256-R260 VanDerWaalsContact O-N 3.08Å; V257-R260 PolarHBondContact O-N 3.38Å; R260-E263 IonicContact CZ-OE2 3.04Å; R260-E263 IonicContact NH1-OE2 3.64Å; R260-E263 PolarHBondContact NH1-OE2 2.84Å; R260-T264 WeakPolarHBondContact O-CB 3.18Å; R260-T264 PolarHBondContact O-N 3.43Å; R260-T264 PolarHBondContact O-OG1 3.36Å
261	I	98.3	Very high	97.7	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-46.6	176.7	-67	157.8	0	0	0	110.4	I247 V257 L258 Q259 E263 T264 R265 I273 L287 A290	I247-I261 HydrophobicContact CB-CG1 4.39Å; I247-I261 HydrophobicContact CD1-CB 4.27Å; I247-I261 HydrophobicContact CD1-CG1 3.55Å; I247-I261 HydrophobicContact CG2-CG1 4.37Å; V257-I261 HydrophobicContact CG1-CD1 3.84Å; V257-I261 WeakPolarHBondContact O-CD1 3.5Å; V257-I261 WeakPolarHBondContact O-CG1 3.23Å; V257-I261 PolarHBondContact O-N 2.87Å; L258-I261 PolarHBondContact O-N 2.89Å; Q259-I261 VanDerWaalsContact C-N 3.28Å; Q259-I261 PolarHBondContact O-N 2.8Å; I261-E263 PolarHBondContact O-N 3.32Å; I261-T264 PolarHBondContact O-N 3.36Å; I261-R265 WeakPolarHBondContact O-CB 3.31Å; I261-R265 PolarHBondContact O-N 2.79Å; I261-I273 HydrophobicContact CG2-CG2 4.47Å; I261-L287 HydrophobicContact CD1-CD2 3.27Å; I261-A290 HydrophobicContact CB-CB 4.01Å; I261-A290 HydrophobicContact CG2-CB 3.78Å
262	R	98.4	Very high	97.7	Very high	90 Å²	90	52.6 Å²	52.6	34%	0.34	28%	0.277	S	S	.	.	H	α-helix	trans	-58.4	-47.2	177.9	-67.3	178.5	-154.6	118.4	-0.5	111.6	E255 L258 Q259 R265 A266 A290	E255-R262 IonicContact OE1-CZ 3.44Å; E255-R262 IonicContact OE1-NH1 3.71Å; E255-R262 PolarHBondContact OE1-NH1 3.3Å; E255-R262 IonicContact OE1-NH2 3.11Å; E255-R262 PolarHBondContact OE1-NH2 3.37Å; E255-R262 IonicContact OE2-NH2 2.73Å; L258-R262 WeakPolarHBondContact O-CG 3.38Å; L258-R262 PolarHBondContact O-N 3.18Å; Q259-R262 PolarHBondContact O-N 3.4Å; R262-R265 PolarHBondContact O-N 3.06Å; R262-A266 WeakPolarHBondContact O-CB 3.49Å; R262-A266 PolarHBondContact O-N 3.29Å; R262-A290 WeakPolarHBondContact CA-O 3.46Å; R262-A290 HydrophobicContact CG-CB 3.99Å
263	E	97.7	Very high	97.8	Very high	82 Å²	82	52.6 Å²	52.6	38%	0.383	28%	0.277	S	S	.	.	H	α-helix	trans	-62.5	-45.7	177.9	-71.1	165.7	-178.1	0	0	112.1	Q259 R260 I261 A266 K267	Q259-E263 WeakPolarHBondContact CG-OE1 3.32Å; Q259-E263 PolarHBondContact NE2-OE1 3.39Å; Q259-E263 WeakPolarHBondContact O-CG 3.27Å; Q259-E263 PolarHBondContact O-N 3.27Å; R260-E263 IonicContact CZ-OE2 3.04Å; R260-E263 IonicContact NH1-OE2 3.64Å; R260-E263 PolarHBondContact NH1-OE2 2.84Å; I261-E263 PolarHBondContact O-N 3.32Å; E263-A266 PolarHBondContact O-N 3.49Å; E263-K267 PolarHBondContact O-N 3.15Å
264	T	98.1	Very high	97.8	Very high	10 Å²	10	49.1 Å²	49.1	6%	0.061	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-44	178	-54.7	0	0	0	0	111.3	V234 L245 R260 I261 K267 Y268 L271 I273	V234-T264 HydrophobicContact CG1-CG2 4.19Å; L245-T264 HydrophobicContact CD2-CG2 3.77Å; R260-T264 WeakPolarHBondContact O-CB 3.18Å; R260-T264 PolarHBondContact O-N 3.43Å; R260-T264 PolarHBondContact O-OG1 3.36Å; I261-T264 PolarHBondContact O-N 3.36Å; T264-K267 PolarHBondContact O-N 3.24Å; T264-Y268 PolarHBondContact O-N 3.39Å; T264-L271 HydrophobicContact CG2-CD2 4.31Å; T264-I273 HydrophobicContact CG2-CD1 3.76Å; T264-I273 HydrophobicContact CG2-CG1 4.45Å
265	R	98.2	Very high	97.9	Very high	53 Å²	53	48.1 Å²	48.1	20%	0.2	25%	0.254	C	S	.	.	H	α-helix	trans	-63	-41.4	175.5	171.3	58.9	66.7	-148.5	-7.2	111.7	I261 R262 K267 Y268 P269 L271 I273 G291 S293	I261-R265 WeakPolarHBondContact O-CB 3.31Å; I261-R265 PolarHBondContact O-N 2.79Å; R262-R265 PolarHBondContact O-N 3.06Å; R265-K267 VanDerWaalsContact C-N 3.35Å; R265-Y268 PolarHBondContact NH1-O 3.48Å; R265-Y268 CarbonylContact O-C 3.49Å; R265-Y268 VanDerWaalsContact O-C 3.25Å; R265-Y268 PolarHBondContact O-N 2.91Å; R265-P269 PolarHBondContact NH1-O 3.2Å; R265-P269 WeakPolarHBondContact O-CA 3.35Å; R265-L271 PolarHBondContact NH1-O 3.36Å; R265-L271 PolarHBondContact NH2-O 2.78Å; R265-L271 VanDerWaalsContact NH2-O 3.13Å; R265-I273 HydrophobicContact CB-CD1 4.15Å; R265-G291 PolarHBondContact NE-O 3.48Å; R265-G291 PolarHBondContact NH2-O 2.72Å; R265-S293 PolarHBondContact NH2-OG 2.93Å; R265-S293 VanDerWaalsContact NH2-OG 3.08Å
266	A	98.2	Very high	97.9	Very high	78 Å²	78	42.7 Å²	42.7	65%	0.645	23%	0.229	S	C	*	.	H	α-helix	trans	-63.9	-40.2	178.9	0	0	0	0	0	111.9	R262 E263	R262-A266 WeakPolarHBondContact O-CB 3.49Å; R262-A266 PolarHBondContact O-N 3.29Å; E263-A266 PolarHBondContact O-N 3.49Å
267	K	98.1	Very high	98.1	Very high	111 Å²	111	40.7 Å²	40.7	48%	0.483	21%	0.207	S	C	.	.	H	α-helix	trans	-74.9	-36	177.2	-170.6	174	-179.2	-179	0	113	D235 E263 T264 R265	D235-K267 WeakPolarHBondContact OD1-CE 3.35Å; D235-K267 IonicContact OD1-NZ 2.74Å; D235-K267 PolarHBondContact OD1-NZ 3.11Å; D235-K267 IonicContact OD2-NZ 3.19Å; D235-K267 PolarHBondContact OD2-NZ 2.83Å; E263-K267 PolarHBondContact O-N 3.15Å; T264-K267 PolarHBondContact O-N 3.24Å; R265-K267 VanDerWaalsContact C-N 3.35Å
268	Y	98.2	Very high	98.2	Very high	49 Å²	49	40.9 Å²	40.9	19%	0.192	21%	0.208	C	C	.	.			trans	-126.7	77.7	-178.2	-60.7	-72.6	0	0	0	112.1	V234 D235 V238 T264 R265 D270 L271	V234-Y268 HydrophobicContact CG1-CD2 3.97Å; V234-Y268 HydrophobicContact CG1-CE2 3.68Å; D235-Y268 PolarHBondContact OD1-OH 2.91Å; V238-Y268 HydrophobicContact CB-CE1 4.15Å; V238-Y268 HydrophobicContact CG1-CD1 4.06Å; V238-Y268 HydrophobicContact CG1-CE1 3.72Å; V238-Y268 HydrophobicContact CG2-CD1 4.24Å; V238-Y268 HydrophobicContact CG2-CD2 4.36Å; V238-Y268 HydrophobicContact CG2-CE1 4.09Å; V238-Y268 HydrophobicContact CG2-CE2 4.21Å; V238-Y268 HydrophobicContact CG2-CG 4.37Å; T264-Y268 PolarHBondContact O-N 3.39Å; R265-Y268 PolarHBondContact NH1-O 3.48Å; R265-Y268 CarbonylContact O-C 3.49Å; R265-Y268 VanDerWaalsContact O-C 3.25Å; R265-Y268 PolarHBondContact O-N 2.91Å; Y268-D270 PolarHBondContact O-N 3.23Å; Y268-L271 HydrophobicContact CD2-CD2 4.36Å; Y268-L271 HydrophobicContact CG-CD2 4.3Å; Y268-L271 PolarHBondContact O-N 3.33Å
269	P	98	Very high	98.2	Very high	84 Å²	84	40.8 Å²	40.8	55%	0.545	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-30.1	-174.9	-28	36.8	0	0	0	115	R265	R265-P269 PolarHBondContact NH1-O 3.2Å; R265-P269 WeakPolarHBondContact O-CA 3.35Å
270	D	97.1	Very high	98.2	Very high	148 Å²	148	40.2 Å²	40.2	79%	0.791	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-12.5	-177.6	-58.9	-45.3	0	0	0	113.7	Y268 Q272	Y268-D270 PolarHBondContact O-N 3.23Å; D270-Q272 PolarHBondContact O-N 3.02Å; D270-Q272 PolarHBondContact O-NE2 2.76Å
271	L	98.1	Very high	98.3	Very high	18 Å²	18	41.2 Å²	41.2	9%	0.094	22%	0.222	C	C	.	.	S	Bend	trans	-64.3	134	-178.2	178.3	64.5	0	0	0	110.4	V238 V242 L245 T264 R265 Y268 I273	V238-L271 HydrophobicContact CG2-CD1 4.37Å; V238-L271 HydrophobicContact CG2-CD2 3.94Å; V242-L271 HydrophobicContact CG1-CD1 4.42Å; L245-L271 HydrophobicContact CB-CD2 4.01Å; L245-L271 HydrophobicContact CB-CG 4.37Å; L245-L271 HydrophobicContact CD2-CD2 4.1Å; T264-L271 HydrophobicContact CG2-CD2 4.31Å; R265-L271 PolarHBondContact NH1-O 3.36Å; R265-L271 PolarHBondContact NH2-O 2.78Å; R265-L271 VanDerWaalsContact NH2-O 3.13Å; Y268-L271 HydrophobicContact CD2-CD2 4.36Å; Y268-L271 HydrophobicContact CG-CD2 4.3Å; Y268-L271 PolarHBondContact O-N 3.33Å; L271-I273 HydrophobicContact CD2-CG1 4.32Å; L271-I273 HydrophobicContact CG-CG1 4.18Å; L271-I273 PolarHBondContact O-N 3.43Å
272	Q	98.6	Very high	98.3	Very high	24 Å²	24	44 Å²	44	11%	0.112	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	121.7	174.5	-59.6	-54	-63.8	0	0	109.2	T35 T37 I38 V244 L245 D270 S293	T35-Q272 VanDerWaalsContact CB-OE1 3.25Å; T35-Q272 HydrophobicContact CG2-CB 4.15Å; T35-Q272 PolarHBondContact OG1-OE1 2.73Å; T37-Q272 WeakPolarHBondContact OG1-CG 3.22Å; T37-Q272 PolarHBondContact OG1-NE2 3.1Å; T37-Q272 PolarHBondContact OG1-OE1 3.16Å; I38-Q272 HydrophobicContact CD1-CB 3.76Å; I38-Q272 HydrophobicContact CD1-CG 3.62Å; I38-Q272 HydrophobicContact CG1-CG 4.04Å; V244-Q272 WeakPolarHBondContact CA-O 3.3Å; V244-Q272 HydrophobicContact CB-CB 4.19Å; V244-Q272 HydrophobicContact CG2-CB 4.07Å; L245-Q272 PolarHBondContact N-O 3.36Å; D270-Q272 PolarHBondContact O-N 3.02Å; D270-Q272 PolarHBondContact O-NE2 2.76Å; Q272-S293 PolarHBondContact OE1-OG 3.42Å
273	I	98.7	Very high	98.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.9	-174.1	-60.3	171	0	0	0	109.2	L245 I247 I261 T264 R265 L271 C292 S293 A294	L245-I273 CarbonylContact O-C 3.57Å; L245-I273 WeakPolarHBondContact O-CA 3.35Å; I247-I273 HydrophobicContact CD1-CG2 4Å; I261-I273 HydrophobicContact CG2-CG2 4.47Å; T264-I273 HydrophobicContact CG2-CD1 3.76Å; T264-I273 HydrophobicContact CG2-CG1 4.45Å; R265-I273 HydrophobicContact CB-CD1 4.15Å; L271-I273 HydrophobicContact CD2-CG1 4.32Å; L271-I273 HydrophobicContact CG-CG1 4.18Å; L271-I273 PolarHBondContact O-N 3.43Å; I273-C292 CarbonylContact O-C 3.54Å; I273-S293 PolarHBondContact N-OG 2.63Å; I273-S293 WeakPolarHBondContact O-CA 3.32Å; I273-S293 WeakPolarHBondContact O-CB 3.26Å; I273-S293 PolarHBondContact O-N 3.42Å; I273-A294 PolarHBondContact O-N 3.41Å
274	I	98.8	Very high	98.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130	166.8	-63.6	163.5	0	0	0	107.9	L34 F69 V244 L245 L246 I247 A294 K296 I336	L34-I274 HydrophobicContact CD1-CD1 4.12Å; L34-I274 HydrophobicContact CD2-CD1 4.36Å; L34-I274 HydrophobicContact CG-CD1 4.38Å; F69-I274 HydrophobicContact CE1-CD1 3.92Å; F69-I274 HydrophobicContact CE2-CD1 4.44Å; F69-I274 HydrophobicContact CZ-CD1 3.45Å; F69-I274 VanDerWaalsContact CZ-CD1 3.45Å; V244-I274 HydrophobicContact CG2-CD1 3.51Å; V244-I274 HydrophobicContact CG2-CG1 3.77Å; L245-I274 PolarHBondContact O-N 3.33Å; L246-I274 WeakPolarHBondContact CA-O 3.47Å; L246-I274 HydrophobicContact CD1-CB 4.06Å; L246-I274 HydrophobicContact CD1-CG2 3.66Å; I247-I274 PolarHBondContact N-O 3.06Å; I274-A294 WeakPolarHBondContact CA-O 3.47Å; I274-A294 HydrophobicContact CG1-CB 4.03Å; I274-K296 HydrophobicContact CG2-CB 3.88Å; I274-I336 HydrophobicContact CD1-CD1 3.63Å; I274-I336 HydrophobicContact CG1-CD1 4.02Å; I274-I336 HydrophobicContact CG2-CD1 3.82Å
275	G	98.7	Very high	98.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	142.4	172.7	0	0	0	0	0	111.5	C292 A294 K296	G275-C292 VanDerWaalsContact CA-SG 3.55Å; G275-C292 PolarHBondContact N-SG 2.98Å; G275-C292 VanDerWaalsContact N-SG 3.44Å; G275-A294 PolarHBondContact N-O 3.41Å; G275-K296 PolarHBondContact O-N 3.46Å
276	G	98.2	Very high	98.4	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	177.5	173.8	0	0	0	0	0	114	I247 S249	I247-G276 PolarHBondContact O-N 2.91Å; S249-G276 PolarHBondContact N-O 3.12Å; S249-G276 CarbonylContact O-C 3.57Å
277	N	98.4	Very high	98.4	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.037	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-96.2	148	-0.7	-73.7	17.9	0	0	0	112.2	S249 G252 K296 G298 I299 D338	S249-N277 PolarHBondContact O-N 3Å; G252-N277 WeakPolarHBondContact CA-O 3.38Å; G252-N277 PolarHBondContact N-O 3.39Å; N277-K296 WeakPolarHBondContact CA-O 3.46Å; N277-K296 VanDerWaalsContact OD1-CE 3.26Å; N277-K296 WeakPolarHBondContact OD1-CE 3.47Å; N277-K296 PolarHBondContact OD1-NZ 2.99Å; N277-G298 VanDerWaalsContact CB-O 3.27Å; N277-G298 WeakPolarHBondContact CB-O 3.29Å; N277-G298 PolarHBondContact ND2-O 3.19Å; N277-I299 HydrophobicContact CB-CD1 3.62Å; N277-I299 HydrophobicContact CB-CG1 4.48Å; N277-D338 PolarHBondContact ND2-OD2 2.88Å
278	V	98.7	Very high	98.5	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.024	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	166.7	167.3	-67	0	0	0	0	109.9	H253 A284 L287 V295 K296 V297 G298	H253-V278 HydrophobicContact CB-CG1 4.45Å; V278-A284 HydrophobicContact CG2-CB 4.33Å; V278-L287 HydrophobicContact CB-CD1 4.3Å; V278-L287 HydrophobicContact CG1-CD1 3.42Å; V278-L287 VanDerWaalsContact CG1-CD1 3.42Å; V278-L287 HydrophobicContact CG1-CG 4.06Å; V278-L287 HydrophobicContact CG2-CD1 3.95Å; V278-V295 HydrophobicContact CG2-CG1 3.47Å; V278-V295 VanDerWaalsContact CG2-CG1 3.47Å; V278-K296 PolarHBondContact N-O 2.83Å; V278-K296 VanDerWaalsContact N-O 3.15Å; V278-V297 HydrophobicContact CG2-CG2 4.18Å; V278-V297 CarbonylContact O-C 3.54Å; V278-V297 VanDerWaalsContact O-CA 3.3Å; V278-V297 WeakPolarHBondContact O-CA 3.41Å; V278-G298 PolarHBondContact O-N 3.21Å
279	A	98.6	Very high	98.5	Very high	8 Å²	8	37.1 Å²	37.1	7%	0.066	21%	0.208	C	C	.	.			trans	-144.6	18.5	176.5	0	0	0	0	0	112.4	I299 V315 A320	A279-I299 HydrophobicContact CB-CB 3.94Å; A279-I299 HydrophobicContact CB-CG1 3.68Å; A279-V315 HydrophobicContact CB-CB 3.97Å; A279-V315 HydrophobicContact CB-CG2 3.87Å; A279-V315 WeakPolarHBondContact O-CG2 3.23Å; A279-A320 HydrophobicContact CB-CB 4.06Å
280	T	98.6	Very high	98.5	Very high	61 Å²	61	33.4 Å²	33.4	37%	0.374	18%	0.184	S	C	.	.	S	Bend	trans	-143.3	154.9	-176.3	61.9	0	0	0	0	110.8	A282 G283 A284	T280-A282 VanDerWaalsContact C-N 3.33Å; T280-A282 PolarHBondContact O-N 2.83Å; T280-G283 PolarHBondContact O-N 3.14Å; T280-G283 PolarHBondContact OG1-N 3.24Å; T280-A284 PolarHBondContact O-N 3.24Å
281	A	98.5	Very high	98.5	Very high	39 Å²	39	27.2 Å²	27.2	32%	0.322	16%	0.155	S	C	.	.	H	α-helix	trans	-52	-47.6	172.6	0	0	0	0	0	113.1	G283 A284 R285 A327	A281-G283 PolarHBondContact O-N 3.45Å; A281-A284 PolarHBondContact O-N 3.23Å; A281-R285 PolarHBondContact O-N 2.95Å; A281-A327 VanDerWaalsContact CA-CB 3.47Å; A281-A327 HydrophobicContact CB-CB 3.53Å; A281-A327 WeakPolarHBondContact O-CB 3.34Å
282	A	98.5	Very high	98.6	Very high	58 Å²	58	26.6 Å²	26.6	48%	0.479	15%	0.153	S	C	.	.	H	α-helix	trans	-62.7	-44.5	-179	0	0	0	0	0	112.3	T280 A284 R285 A286	T280-A282 VanDerWaalsContact C-N 3.33Å; T280-A282 PolarHBondContact O-N 2.83Å; A282-A284 VanDerWaalsContact C-N 3.33Å; A282-A284 PolarHBondContact O-N 3.08Å; A282-R285 PolarHBondContact O-N 3.06Å; A282-A286 WeakPolarHBondContact O-CB 3.28Å; A282-A286 PolarHBondContact O-N 2.64Å
283	G	98.7	Very high	98.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-38.2	176.9	0	0	0	0	0	112.6	T280 A281 A286 L287	T280-G283 PolarHBondContact O-N 3.14Å; T280-G283 PolarHBondContact OG1-N 3.24Å; A281-G283 PolarHBondContact O-N 3.45Å; G283-A286 PolarHBondContact O-N 2.7Å; G283-L287 WeakPolarHBondContact O-CG 3.28Å; G283-L287 PolarHBondContact O-N 3.01Å; G283-L287 VanDerWaalsContact O-N 3.1Å
284	A	98.8	Very high	98.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.8	-45.9	176.4	0	0	0	0	0	112	V278 T280 A281 A282 L287 A288 V295 A324 L328	V278-A284 HydrophobicContact CG2-CB 4.33Å; T280-A284 PolarHBondContact O-N 3.24Å; A281-A284 PolarHBondContact O-N 3.23Å; A282-A284 VanDerWaalsContact C-N 3.33Å; A282-A284 PolarHBondContact O-N 3.08Å; A284-L287 PolarHBondContact O-N 2.88Å; A284-A288 PolarHBondContact O-N 2.87Å; A284-V295 HydrophobicContact CB-CG1 4.27Å; A284-A324 HydrophobicContact CB-CB 3.82Å; A284-L328 HydrophobicContact CB-CD1 4.12Å; A284-L328 HydrophobicContact CB-CG 4.14Å
285	R	98.7	Very high	98.6	Very high	137 Å²	137	26.2 Å²	26.2	52%	0.517	15%	0.152	S	C	.	.	H	α-helix	trans	-61.4	-45.7	175.4	-71.5	-176	-178	-161.2	5.3	112.2	A281 A282 L287 A288 E289 A327	A281-R285 PolarHBondContact O-N 2.95Å; A282-R285 PolarHBondContact O-N 3.06Å; R285-L287 VanDerWaalsContact C-N 3.31Å; R285-L287 PolarHBondContact O-N 3.09Å; R285-A288 WeakPolarHBondContact O-CB 3.25Å; R285-A288 PolarHBondContact O-N 2.68Å; R285-A288 VanDerWaalsContact O-N 3.15Å; R285-E289 WeakPolarHBondContact O-CB 3.28Å; R285-E289 VanDerWaalsContact O-CG 3.31Å; R285-E289 WeakPolarHBondContact O-CG 3.18Å; R285-E289 PolarHBondContact O-N 3.44Å; R285-A327 HydrophobicContact CG-CB 4.1Å; R285-A327 WeakPolarHBondContact CG-O 3.09Å; R285-A327 PolarHBondContact NE-O 2.98Å
286	A	98.8	Very high	98.6	Very high	13 Å²	13	26.2 Å²	26.2	11%	0.107	15%	0.153	C	C	.	.	H	α-helix	trans	-59.5	-40.8	179.2	0	0	0	0	0	112.5	L258 A282 G283 A290	L258-A286 HydrophobicContact CD1-CB 3.98Å; L258-A286 HydrophobicContact CD2-CB 3.99Å; A282-A286 WeakPolarHBondContact O-CB 3.28Å; A282-A286 PolarHBondContact O-N 2.64Å; G283-A286 PolarHBondContact O-N 2.7Å; A286-A290 WeakPolarHBondContact O-CB 3.46Å; A286-A290 PolarHBondContact O-N 3.46Å
287	L	98.8	Very high	98.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.3	-42.6	174.9	-72.8	178.6	0	0	0	112.5	G252 V257 L258 I261 V278 G283 A284 R285 A290 G291 C292 V295	G252-L287 WeakPolarHBondContact O-CD2 3.17Å; V257-L287 HydrophobicContact CG1-CD2 4.38Å; L258-L287 HydrophobicContact CD2-CD2 3.85Å; L258-L287 HydrophobicContact CD2-CG 4.4Å; I261-L287 HydrophobicContact CD1-CD2 3.27Å; V278-L287 HydrophobicContact CB-CD1 4.3Å; V278-L287 HydrophobicContact CG1-CD1 3.42Å; V278-L287 VanDerWaalsContact CG1-CD1 3.42Å; V278-L287 HydrophobicContact CG1-CG 4.06Å; V278-L287 HydrophobicContact CG2-CD1 3.95Å; G283-L287 WeakPolarHBondContact O-CG 3.28Å; G283-L287 PolarHBondContact O-N 3.01Å; G283-L287 VanDerWaalsContact O-N 3.1Å; A284-L287 PolarHBondContact O-N 2.88Å; R285-L287 VanDerWaalsContact C-N 3.31Å; R285-L287 PolarHBondContact O-N 3.09Å; L287-A290 PolarHBondContact O-N 3.34Å; L287-G291 PolarHBondContact O-N 2.97Å; L287-C292 VanDerWaalsContact O-CB 3.31Å; L287-C292 WeakPolarHBondContact O-CB 3.45Å; L287-C292 PolarHBondContact O-N 3.46Å; L287-C292 VanDerWaalsContact O-N 3.16Å; L287-C292 PolarHBondContact O-SG 2.82Å; L287-C292 VanDerWaalsContact O-SG 3.39Å; L287-V295 HydrophobicContact CB-CG2 4.03Å; L287-V295 HydrophobicContact CD1-CG1 3.91Å
288	A	98.5	Very high	98.6	Very high	17 Å²	17	26.1 Å²	26.1	14%	0.14	15%	0.153	C	C	.	.	H	α-helix	trans	-61.1	-47.3	175.5	0	0	0	0	0	111.8	A284 R285 A290 G291 L328 I333	A284-A288 PolarHBondContact O-N 2.87Å; R285-A288 WeakPolarHBondContact O-CB 3.25Å; R285-A288 PolarHBondContact O-N 2.68Å; R285-A288 VanDerWaalsContact O-N 3.15Å; A288-A290 VanDerWaalsContact C-N 3.3Å; A288-A290 PolarHBondContact O-N 3.17Å; A288-G291 PolarHBondContact O-N 3.25Å; A288-L328 HydrophobicContact CB-CD2 3.52Å; A288-I333 HydrophobicContact CB-CD1 3.49Å; A288-I333 VanDerWaalsContact CB-CD1 3.49Å
289	E	98.4	Very high	98.6	Very high	161 Å²	161	26.9 Å²	26.9	75%	0.752	16%	0.157	S	C	*	.	H	α-helix	trans	-62.7	-34	177.2	-72	168.6	-167.3	0	0	112.5	R285 G291	R285-E289 WeakPolarHBondContact O-CB 3.28Å; R285-E289 VanDerWaalsContact O-CG 3.31Å; R285-E289 WeakPolarHBondContact O-CG 3.18Å; R285-E289 PolarHBondContact O-N 3.44Å; E289-G291 PolarHBondContact O-N 3.19Å
290	A	98.4	Very high	98.5	Very high	6 Å²	6	27.1 Å²	27.1	5%	0.05	16%	0.16	C	C	.	.	H	α-helix	trans	-68.2	-18.7	174.8	0	0	0	0	0	113.4	L258 I261 R262 A286 L287 A288	L258-A290 HydrophobicContact CB-CB 4.46Å; L258-A290 HydrophobicContact CD2-CB 4.35Å; I261-A290 HydrophobicContact CB-CB 4.01Å; I261-A290 HydrophobicContact CG2-CB 3.78Å; R262-A290 WeakPolarHBondContact CA-O 3.46Å; R262-A290 HydrophobicContact CG-CB 3.99Å; A286-A290 WeakPolarHBondContact O-CB 3.46Å; A286-A290 PolarHBondContact O-N 3.46Å; L287-A290 PolarHBondContact O-N 3.34Å; A288-A290 VanDerWaalsContact C-N 3.3Å; A288-A290 PolarHBondContact O-N 3.17Å
291	G	98.2	Very high	98.5	Very high	18 Å²	18	25.2 Å²	25.2	19%	0.186	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	117.1	17.5	175	0	0	0	0	0	115.6	R265 L287 A288 E289	R265-G291 PolarHBondContact NE-O 3.48Å; R265-G291 PolarHBondContact NH2-O 2.72Å; L287-G291 PolarHBondContact O-N 2.97Å; A288-G291 PolarHBondContact O-N 3.25Å; E289-G291 PolarHBondContact O-N 3.19Å
292	C	98.6	Very high	98.3	Very high	6 Å²	6	24.4 Å²	24.4	4%	0.041	14%	0.144	C	C	.	.			trans	-64.3	137.6	174.2	-73.5	0	0	0	0	112.5	I273 G275 L287	I273-C292 CarbonylContact O-C 3.54Å; G275-C292 VanDerWaalsContact CA-SG 3.55Å; G275-C292 PolarHBondContact N-SG 2.98Å; G275-C292 VanDerWaalsContact N-SG 3.44Å; L287-C292 VanDerWaalsContact O-CB 3.31Å; L287-C292 WeakPolarHBondContact O-CB 3.45Å; L287-C292 PolarHBondContact O-N 3.46Å; L287-C292 VanDerWaalsContact O-N 3.16Å; L287-C292 PolarHBondContact O-SG 2.82Å; L287-C292 VanDerWaalsContact O-SG 3.39Å
293	S	98.7	Very high	98	Very high	15 Å²	15	25.3 Å²	25.3	11%	0.105	15%	0.147	C	C	.	.	S	Bend	trans	-80.8	-21.3	169.7	-54.5	0	0	0	0	112.9	R265 Q272 I273 P334	R265-S293 PolarHBondContact NH2-OG 2.93Å; R265-S293 VanDerWaalsContact NH2-OG 3.08Å; Q272-S293 PolarHBondContact OE1-OG 3.42Å; I273-S293 PolarHBondContact N-OG 2.63Å; I273-S293 WeakPolarHBondContact O-CA 3.32Å; I273-S293 WeakPolarHBondContact O-CB 3.26Å; I273-S293 PolarHBondContact O-N 3.42Å; S293-P334 WeakPolarHBondContact O-CD 3.38Å
294	A	98.8	Very high	97.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	156.7	172.2	0	0	0	0	0	111.2	L34 T35 I273 I274 G275 P334 I336	L34-A294 VanDerWaalsContact O-CB 3.24Å; L34-A294 WeakPolarHBondContact O-CB 3.42Å; T35-A294 HydrophobicContact CG2-CB 4.25Å; I273-A294 PolarHBondContact O-N 3.41Å; I274-A294 WeakPolarHBondContact CA-O 3.47Å; I274-A294 HydrophobicContact CG1-CB 4.03Å; G275-A294 PolarHBondContact N-O 3.41Å; A294-P334 WeakPolarHBondContact CA-O 3.27Å; A294-P334 HydrophobicContact CB-CB 4.3Å; A294-P334 WeakPolarHBondContact CB-O 3.32Å; A294-I336 HydrophobicContact CB-CD1 4.37Å
295	V	98.8	Very high	97.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.7	-175.9	173.8	0	0	0	0	110.7	V278 A284 L287 V297 L328 I333 P334 V335 I336	V278-V295 HydrophobicContact CG2-CG1 3.47Å; V278-V295 VanDerWaalsContact CG2-CG1 3.47Å; A284-V295 HydrophobicContact CB-CG1 4.27Å; L287-V295 HydrophobicContact CB-CG2 4.03Å; L287-V295 HydrophobicContact CD1-CG1 3.91Å; V295-V297 HydrophobicContact CG1-CG2 4.11Å; V295-L328 HydrophobicContact CB-CD1 4.02Å; V295-L328 HydrophobicContact CG2-CD1 3.8Å; V295-I333 HydrophobicContact CG2-CG2 4.17Å; V295-P334 PolarHBondContact N-O 2.62Å; V295-V335 CarbonylContact O-C 3.6Å; V295-V335 WeakPolarHBondContact O-CA 2.94Å; V295-I336 PolarHBondContact O-N 2.8Å
296	K	98.9	Very high	97.4	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126	176.9	-173.2	162.3	67.9	85	0	111.2	L246 D248 I274 G275 N277 V278 I336 D338 M359	L246-K296 HydrophobicContact CD1-CD 4.23Å; D248-K296 IonicContact OD1-NZ 3.8Å; D248-K296 PolarHBondContact OD1-NZ 2.99Å; I274-K296 HydrophobicContact CG2-CB 3.88Å; G275-K296 PolarHBondContact O-N 3.46Å; N277-K296 WeakPolarHBondContact CA-O 3.46Å; N277-K296 VanDerWaalsContact OD1-CE 3.26Å; N277-K296 WeakPolarHBondContact OD1-CE 3.47Å; N277-K296 PolarHBondContact OD1-NZ 2.99Å; V278-K296 PolarHBondContact N-O 2.83Å; V278-K296 VanDerWaalsContact N-O 3.15Å; K296-I336 HydrophobicContact CB-CB 4.49Å; K296-I336 HydrophobicContact CG-CB 4.47Å; K296-I336 HydrophobicContact CG-CG2 4.43Å; K296-D338 HydrophobicContact CD-CB 3.91Å; K296-D338 HydrophobicContact CG-CB 3.62Å; K296-D338 IonicContact NZ-OD2 3.97Å; K296-D338 PolarHBondContact NZ-OD2 3.08Å; K296-M359 HydrophobicContact CD-CE 4.02Å; K296-M359 HydrophobicContact CD-SD 3.62Å
297	V	98.9	Very high	97.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.4	-168.9	177.1	0	0	0	0	111.3	V278 V295 Q317 A320 V321 A324 V335 I336 D338	V278-V297 HydrophobicContact CG2-CG2 4.18Å; V278-V297 CarbonylContact O-C 3.54Å; V278-V297 VanDerWaalsContact O-CA 3.3Å; V278-V297 WeakPolarHBondContact O-CA 3.41Å; V295-V297 HydrophobicContact CG1-CG2 4.11Å; V297-Q317 PolarHBondContact O-NE2 3.01Å; V297-A320 HydrophobicContact CG1-CB 3.89Å; V297-A320 WeakPolarHBondContact CG1-O 3.3Å; V297-V321 HydrophobicContact CB-CG2 4.48Å; V297-V321 HydrophobicContact CG1-CG2 4.08Å; V297-A324 HydrophobicContact CG2-CB 3.55Å; V297-V335 HydrophobicContact CB-CG1 4.18Å; V297-V335 HydrophobicContact CG2-CG1 3.55Å; V297-I336 PolarHBondContact N-O 3.08Å; V297-D338 PolarHBondContact O-N 2.93Å
298	G	98.5	Very high	97.2	Very high	4 Å²	4	26.6 Å²	26.6	4%	0.041	16%	0.16	C	C	.	.			trans	151	113.8	170.2	0	0	0	0	0	113.3	N277 V278 Q317	N277-G298 VanDerWaalsContact CB-O 3.27Å; N277-G298 WeakPolarHBondContact CB-O 3.29Å; N277-G298 PolarHBondContact ND2-O 3.19Å; V278-G298 PolarHBondContact O-N 3.21Å; G298-Q317 VanDerWaalsContact CA-OE1 3.23Å
299	I	98.3	Very high	97.1	Very high	20 Å²	20	33 Å²	33	10%	0.103	19%	0.19	C	C	.	.	S	Bend	trans	-117.7	109.4	175.4	-60.1	-66.9	0	0	0	109.6	S250 N277 A279 P301 T307 R308 V313	S250-I299 WeakPolarHBondContact O-CD1 3.4Å; N277-I299 HydrophobicContact CB-CD1 3.62Å; N277-I299 HydrophobicContact CB-CG1 4.48Å; A279-I299 HydrophobicContact CB-CB 3.94Å; A279-I299 HydrophobicContact CB-CG1 3.68Å; I299-P301 WeakPolarHBondContact O-CD 3.2Å; I299-T307 HydrophobicContact CG2-CG2 4.32Å; I299-R308 PolarHBondContact O-NE 2.92Å; I299-R308 PolarHBondContact O-NH2 2.7Å; I299-V313 HydrophobicContact CG2-CG1 4.47Å
300	G	96.7	Very high	96.9	Very high	14 Å²	14	28.9 Å²	28.9	14%	0.144	18%	0.176	C	C	.	.	S	Bend	trans	73.7	11.1	-177.6	0	0	0	0	0	119.9	G302 R308	G300-G302 VanDerWaalsContact C-N 3.34Å; G300-R308 WeakPolarHBondContact O-CD 3.27Å; G300-R308 PolarHBondContact O-NE 2.89Å
301	P	97.7	Very high	96.8	Very high	21 Å²	21	31.6 Å²	31.6	14%	0.136	19%	0.192	C	C	.	.			trans	-81.8	-11.7	178.1	37.2	-40.5	0	0	0	113.5	I299 Q317 D338 G340	I299-P301 WeakPolarHBondContact O-CD 3.2Å; P301-Q317 HydrophobicContact CB-CB 4.08Å; P301-Q317 HydrophobicContact CB-CG 4.27Å; P301-Q317 HydrophobicContact CG-CG 4.47Å; P301-D338 WeakPolarHBondContact CG-O 3.25Å; P301-G340 WeakPolarHBondContact O-CA 3.47Å; P301-G340 PolarHBondContact O-N 2.68Å; P301-G340 VanDerWaalsContact O-N 3.1Å
302	G	94.6	Very high	96.7	Very high	22 Å²	22	33.9 Å²	33.9	23%	0.227	22%	0.216	C	C	.	.	S	Bend	trans	-63.5	142.4	-174.1	0	0	0	0	0	113	G300 I304 C305	G300-G302 VanDerWaalsContact C-N 3.34Å; G302-I304 PolarHBondContact O-N 3.44Å; G302-I304 VanDerWaalsContact O-N 3.12Å; G302-C305 WeakPolarHBondContact O-CB 3.44Å; G302-C305 PolarHBondContact O-N 3.04Å
303	S	92.5	Very high	96.7	Very high	76 Å²	76	37.7 Å²	37.7	53%	0.531	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.8	-178.1	47.1	0	0	0	0	115	S362	S303-S362 WeakPolarHBondContact OG-CB 3.37Å; S303-S362 PolarHBondContact OG-OG 3.28Å; S303-S362 VanDerWaalsContact OG-OG 3.12Å
304	I	93.4	Very high	96.7	Very high	22 Å²	22	38.6 Å²	38.6	11%	0.113	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	7.6	178.2	48	53.7	0	0	0	113.1	M49 G302 Y385 G416 I417	M49-I304 HydrophobicContact CE-CD1 4.14Å; M49-I304 HydrophobicContact CE-CG1 4.19Å; G302-I304 PolarHBondContact O-N 3.44Å; G302-I304 VanDerWaalsContact O-N 3.12Å; I304-Y385 HydrophobicContact CB-CE1 4.12Å; I304-Y385 HydrophobicContact CG1-CD1 4.42Å; I304-Y385 HydrophobicContact CG1-CE1 3.63Å; I304-Y385 HydrophobicContact CG2-CD1 3.47Å; I304-Y385 VanDerWaalsContact CG2-CD1 3.47Å; I304-Y385 HydrophobicContact CG2-CE1 3.3Å; I304-Y385 HydrophobicContact CG2-CG 4.48Å; I304-G416 CarbonylContact O-C 3.38Å; I304-G416 WeakPolarHBondContact O-CA 3.33Å; I304-I417 HydrophobicContact CB-CD1 4.06Å; I304-I417 HydrophobicContact CB-CG1 4.43Å; I304-I417 HydrophobicContact CG2-CD1 3.74Å; I304-I417 PolarHBondContact O-N 2.98Å
305	C	94.3	Very high	96.6	Very high	34 Å²	34	40.1 Å²	40.1	23%	0.23	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-95.8	133.1	-173.9	-176.3	0	0	0	0	110.8	G302 T307	G302-C305 WeakPolarHBondContact O-CB 3.44Å; G302-C305 PolarHBondContact O-N 3.04Å; C305-T307 PolarHBondContact SG-OG1 2.8Å
306	T	95.9	Very high	96.6	Very high	31 Å²	31	42 Å²	42	19%	0.19	27%	0.272	C	S	.	.			trans	-113.3	5.6	177.3	55.7	0	0	0	0	112.8	R308 I309 V310 E415 G416 I417	T306-R308 VanDerWaalsContact C-N 3.27Å; T306-R308 PolarHBondContact O-N 3.14Å; T306-R308 VanDerWaalsContact O-N 3.14Å; T306-I309 WeakPolarHBondContact O-CA 3.27Å; T306-I309 PolarHBondContact O-N 2.92Å; T306-V310 PolarHBondContact O-N 3.12Å; T306-E415 PolarHBondContact N-O 3.41Å; T306-E415 WeakPolarHBondContact OG1-CA 3.29Å; T306-E415 PolarHBondContact OG1-O 2.79Å; T306-G416 PolarHBondContact OG1-N 3.23Å; T306-I417 HydrophobicContact CG2-CG2 3.73Å
307	T	95.8	Very high	96.6	Very high	13 Å²	13	42 Å²	42	8%	0.08	27%	0.272	C	S	.	.	H	α-helix	trans	-44.4	-49.3	178.2	-63.8	0	0	0	0	112.4	I299 C305 I309 V310 T311 E415	I299-T307 HydrophobicContact CG2-CG2 4.32Å; C305-T307 PolarHBondContact SG-OG1 2.8Å; T307-I309 VanDerWaalsContact C-N 3.29Å; T307-I309 PolarHBondContact O-N 2.99Å; T307-V310 PolarHBondContact O-N 2.95Å; T307-T311 HydrophobicContact CG2-CG2 4.45Å; T307-T311 WeakPolarHBondContact O-CB 3.27Å; T307-T311 PolarHBondContact O-N 3.17Å; T307-T311 PolarHBondContact O-OG1 2.86Å; T307-E415 VanDerWaalsContact CB-OE2 3.27Å; T307-E415 WeakPolarHBondContact CB-OE2 3.39Å; T307-E415 WeakPolarHBondContact CG2-OE2 3.12Å; T307-E415 PolarHBondContact N-O 2.77Å; T307-E415 PolarHBondContact OG1-OE2 3.14Å
308	R	97.3	Very high	96.6	Very high	77 Å²	77	42.6 Å²	42.6	29%	0.291	28%	0.275	S	S	.	.	H	α-helix	trans	-61	-35.7	179.7	-75.5	172.8	-171.2	-178.8	5.2	113.5	I299 G300 T306 G312 V313 V315	I299-R308 PolarHBondContact O-NE 2.92Å; I299-R308 PolarHBondContact O-NH2 2.7Å; G300-R308 WeakPolarHBondContact O-CD 3.27Å; G300-R308 PolarHBondContact O-NE 2.89Å; T306-R308 VanDerWaalsContact C-N 3.27Å; T306-R308 PolarHBondContact O-N 3.14Å; T306-R308 VanDerWaalsContact O-N 3.14Å; R308-G312 WeakPolarHBondContact O-CA 3.42Å; R308-G312 PolarHBondContact O-N 2.81Å; R308-G312 VanDerWaalsContact O-N 3.12Å; R308-V313 WeakPolarHBondContact CA-O 3.25Å; R308-V313 WeakPolarHBondContact CG-O 3.21Å; R308-V315 PolarHBondContact NH2-O 2.68Å
309	I	96.6	Very high	96.6	Very high	151 Å²	151	43.2 Å²	43.2	77%	0.774	28%	0.278	S	S	*	.	H	α-helix	trans	-80.9	-44.4	-177.7	-54.1	-56.2	0	0	0	110.7	T306 T307	T306-I309 WeakPolarHBondContact O-CA 3.27Å; T306-I309 PolarHBondContact O-N 2.92Å; T307-I309 VanDerWaalsContact C-N 3.29Å; T307-I309 PolarHBondContact O-N 2.99Å
310	V	94.7	Very high	96.6	Very high	75 Å²	75	42.2 Å²	42.2	46%	0.455	27%	0.273	S	S	.	.	H	α-helix	trans	-76.8	-38.2	-174.9	177.5	0	0	0	0	111.7	T306 T307 V413	T306-V310 PolarHBondContact O-N 3.12Å; T307-V310 PolarHBondContact O-N 2.95Å; V310-V413 HydrophobicContact CG1-CG1 4.16Å
311	T	95.7	Very high	96.7	Very high	63 Å²	63	41.6 Å²	41.6	39%	0.387	27%	0.267	S	S	.	.	H	α-helix	trans	-105.7	-17.9	-174.8	73.6	0	0	0	0	113.7	T307 V313 E415	T307-T311 HydrophobicContact CG2-CG2 4.45Å; T307-T311 WeakPolarHBondContact O-CB 3.27Å; T307-T311 PolarHBondContact O-N 3.17Å; T307-T311 PolarHBondContact O-OG1 2.86Å; T311-V313 PolarHBondContact O-N 2.89Å; T311-V313 WeakPolarHBondContact OG1-CB 3.22Å; T311-V313 PolarHBondContact OG1-N 2.91Å; T311-V313 VanDerWaalsContact OG1-N 3.07Å; T311-E415 HydrophobicContact CG2-CG 4.38Å
312	G	96.7	Very high	96.8	Very high	67 Å²	67	42.4 Å²	42.4	69%	0.691	28%	0.275	S	S	*	.			trans	74.4	5.7	-169.5	0	0	0	0	0	114.5	R308	R308-G312 WeakPolarHBondContact O-CA 3.42Å; R308-G312 PolarHBondContact O-N 2.81Å; R308-G312 VanDerWaalsContact O-N 3.12Å
313	V	97.8	Very high	97	Very high	86 Å²	86	42.5 Å²	42.5	52%	0.521	27%	0.27	S	S	.	.			trans	-103.4	131.8	-173	-177.4	0	0	0	0	112	I299 R308 T311	I299-V313 HydrophobicContact CG2-CG1 4.47Å; R308-V313 WeakPolarHBondContact CA-O 3.25Å; R308-V313 WeakPolarHBondContact CG-O 3.21Å; T311-V313 PolarHBondContact O-N 2.89Å; T311-V313 WeakPolarHBondContact OG1-CB 3.22Å; T311-V313 PolarHBondContact OG1-N 2.91Å; T311-V313 VanDerWaalsContact OG1-N 3.07Å
314	G	97.7	Very high	97.3	Very high	34 Å²	34	38.9 Å²	38.9	35%	0.351	25%	0.245	S	C	.	.			trans	164.5	172.2	169.4	0	0	0	0	0	112.9
315	V	98.4	Very high	97.5	Very high	32 Å²	32	39.4 Å²	39.4	19%	0.194	25%	0.249	C	C	.	.			trans	-133.9	133.9	173.8	-175.8	0	0	0	0	108.5	A8 A279 R308 Q317 T319 A320	A8-V315 HydrophobicContact CB-CG1 4.35Å; A279-V315 HydrophobicContact CB-CB 3.97Å; A279-V315 HydrophobicContact CB-CG2 3.87Å; A279-V315 WeakPolarHBondContact O-CG2 3.23Å; R308-V315 PolarHBondContact NH2-O 2.68Å; V315-Q317 PolarHBondContact O-N 3.22Å; V315-T319 HydrophobicContact CG1-CG2 4.43Å; V315-A320 HydrophobicContact CB-CB 4.11Å; V315-A320 HydrophobicContact CG1-CB 4.03Å
316	P	98.6	Very high	97.7	Very high	39 Å²	39	44.4 Å²	44.4	25%	0.253	27%	0.269	S	S	.	.			trans	-47.7	135.6	169.7	-31.7	38.5	0	0	0	113	A8 L9 I318 T319 A320	A8-P316 HydrophobicContact CB-CB 4.06Å; A8-P316 HydrophobicContact CB-CG 3.72Å; L9-P316 CarbonylContact O-C 3.53Å; L9-P316 WeakPolarHBondContact O-CB 3.08Å; P316-I318 PolarHBondContact O-N 3Å; P316-T319 PolarHBondContact O-N 3.22Å; P316-A320 WeakPolarHBondContact O-CB 3.49Å; P316-A320 PolarHBondContact O-N 2.87Å
317	Q	98.7	Very high	97.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-70.5	-34.7	-156.4	-173.8	64.4	-3	0	0	114	F11 V297 G298 P301 V315 A320 V321 D338	F11-Q317 HydrophobicContact CE2-CB 3.86Å; F11-Q317 HydrophobicContact CE2-CG 3.81Å; F11-Q317 HydrophobicContact CZ-CB 4.05Å; F11-Q317 HydrophobicContact CZ-CG 3.63Å; V297-Q317 PolarHBondContact O-NE2 3.01Å; G298-Q317 VanDerWaalsContact CA-OE1 3.23Å; P301-Q317 HydrophobicContact CB-CB 4.08Å; P301-Q317 HydrophobicContact CB-CG 4.27Å; P301-Q317 HydrophobicContact CG-CG 4.47Å; V315-Q317 PolarHBondContact O-N 3.22Å; Q317-A320 PolarHBondContact O-N 3.18Å; Q317-V321 VanDerWaalsContact O-CG2 3.27Å; Q317-V321 WeakPolarHBondContact O-CG2 3.44Å; Q317-V321 PolarHBondContact O-N 2.91Å; Q317-D338 PolarHBondContact NE2-O 3.19Å
318	I	98.7	Very high	97.9	Very high	13 Å²	13	43.1 Å²	43.1	7%	0.067	26%	0.262	C	S	.	.	H	α-helix	trans	-65.4	-47.4	178.5	-72.1	-69.2	0	0	0	109.8	L9 F11 V14 P316 V321 A322 K349 A353	L9-I318 WeakPolarHBondContact O-CB 3.45Å; L9-I318 PolarHBondContact O-N 3.25Å; F11-I318 HydrophobicContact CD1-CD1 3.61Å; F11-I318 HydrophobicContact CD1-CG1 3.84Å; F11-I318 HydrophobicContact CE1-CD1 3.62Å; F11-I318 HydrophobicContact CE1-CG1 4.1Å; F11-I318 HydrophobicContact CG-CG1 4.41Å; V14-I318 HydrophobicContact CG2-CG1 4.35Å; P316-I318 PolarHBondContact O-N 3Å; I318-V321 PolarHBondContact O-N 3.34Å; I318-A322 WeakPolarHBondContact O-CB 3.49Å; I318-A322 PolarHBondContact O-N 3.38Å; I318-K349 HydrophobicContact CD1-CB 4.01Å; I318-A353 HydrophobicContact CD1-CB 3.97Å; I318-A353 HydrophobicContact CG2-CB 4.21Å
319	T	98.8	Very high	97.9	Very high	17 Å²	17	47.2 Å²	47.2	10%	0.104	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-40.9	174.9	-61.9	0	0	0	0	112.2	A8 L9 V315 P316 V321 A322 D323	A8-T319 WeakPolarHBondContact CA-OG1 3.31Å; A8-T319 HydrophobicContact CB-CG2 3.83Å; L9-T319 PolarHBondContact N-OG1 3.41Å; L9-T319 PolarHBondContact O-N 2.73Å; V315-T319 HydrophobicContact CG1-CG2 4.43Å; P316-T319 PolarHBondContact O-N 3.22Å; T319-V321 VanDerWaalsContact C-N 3.3Å; T319-V321 PolarHBondContact O-N 2.6Å; T319-A322 PolarHBondContact O-N 3.26Å; T319-D323 WeakPolarHBondContact O-CB 3.3Å; T319-D323 PolarHBondContact O-N 2.98Å
320	A	98.8	Very high	97.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.2	-42.3	177.7	0	0	0	0	0	112.2	A279 V297 V315 P316 Q317 A324	A279-A320 HydrophobicContact CB-CB 4.06Å; V297-A320 HydrophobicContact CG1-CB 3.89Å; V297-A320 WeakPolarHBondContact CG1-O 3.3Å; V315-A320 HydrophobicContact CB-CB 4.11Å; V315-A320 HydrophobicContact CG1-CB 4.03Å; P316-A320 WeakPolarHBondContact O-CB 3.49Å; P316-A320 PolarHBondContact O-N 2.87Å; Q317-A320 PolarHBondContact O-N 3.18Å; A320-A324 WeakPolarHBondContact O-CB 3.22Å; A320-A324 PolarHBondContact O-N 2.82Å
321	V	98.8	Very high	98	Very high	1 Å²	1	43 Å²	43	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-53.5	176	170.1	0	0	0	0	110.4	V297 Q317 I318 T319 D323 A324 V325 V335 A337 A353 A355	V297-V321 HydrophobicContact CB-CG2 4.48Å; V297-V321 HydrophobicContact CG1-CG2 4.08Å; Q317-V321 VanDerWaalsContact O-CG2 3.27Å; Q317-V321 WeakPolarHBondContact O-CG2 3.44Å; Q317-V321 PolarHBondContact O-N 2.91Å; I318-V321 PolarHBondContact O-N 3.34Å; T319-V321 VanDerWaalsContact C-N 3.3Å; T319-V321 PolarHBondContact O-N 2.6Å; V321-D323 VanDerWaalsContact C-N 3.32Å; V321-D323 PolarHBondContact O-N 3.01Å; V321-A324 PolarHBondContact O-N 2.83Å; V321-V325 HydrophobicContact CG1-CG2 4.28Å; V321-V325 WeakPolarHBondContact O-CG2 3.49Å; V321-V325 PolarHBondContact O-N 3.35Å; V321-V335 HydrophobicContact CG1-CG1 4.41Å; V321-A337 HydrophobicContact CG2-CB 3.66Å; V321-A353 HydrophobicContact CB-CB 4.45Å; V321-A353 HydrophobicContact CG1-CB 4.04Å; V321-A355 HydrophobicContact CG1-CB 3.82Å
322	A	98.7	Very high	98	Very high	38 Å²	38	42.4 Å²	42.4	31%	0.314	29%	0.29	S	S	.	.	H	α-helix	trans	-56.9	-44.7	-178.6	0	0	0	0	0	112.2	I318 T319 A324 V325 E326	I318-A322 WeakPolarHBondContact O-CB 3.49Å; I318-A322 PolarHBondContact O-N 3.38Å; T319-A322 PolarHBondContact O-N 3.26Å; A322-A324 PolarHBondContact O-N 2.96Å; A322-V325 PolarHBondContact O-N 3.09Å; A322-E326 WeakPolarHBondContact O-CB 3.43Å; A322-E326 PolarHBondContact O-N 3.1Å
323	D	98.7	Very high	98.1	Very high	24 Å²	24	40.6 Å²	40.6	13%	0.128	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-40.6	178.8	-72.8	5.5	0	0	0	112.9	K6 T319 V321 V325 A327	K6-D323 VanDerWaalsContact CE-OD2 3.23Å; K6-D323 WeakPolarHBondContact CE-OD2 3.39Å; K6-D323 IonicContact NZ-OD1 2.72Å; K6-D323 PolarHBondContact NZ-OD1 3Å; K6-D323 IonicContact NZ-OD2 3.71Å; K6-D323 PolarHBondContact NZ-OD2 3.04Å; T319-D323 WeakPolarHBondContact O-CB 3.3Å; T319-D323 PolarHBondContact O-N 2.98Å; V321-D323 VanDerWaalsContact C-N 3.32Å; V321-D323 PolarHBondContact O-N 3.01Å; D323-V325 VanDerWaalsContact C-N 3.34Å; D323-A327 VanDerWaalsContact O-CB 3.23Å; D323-A327 WeakPolarHBondContact O-CB 3.27Å; D323-A327 PolarHBondContact O-N 3.37Å; D323-A327 VanDerWaalsContact O-N 3.11Å
324	A	98.8	Very high	98.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-69.3	-36	177.9	0	0	0	0	0	111.5	A284 V297 A320 V321 A322 L328 V335	A284-A324 HydrophobicContact CB-CB 3.82Å; V297-A324 HydrophobicContact CG2-CB 3.55Å; A320-A324 WeakPolarHBondContact O-CB 3.22Å; A320-A324 PolarHBondContact O-N 2.82Å; V321-A324 PolarHBondContact O-N 2.83Å; A322-A324 PolarHBondContact O-N 2.96Å; A324-L328 WeakPolarHBondContact O-CB 3.24Å; A324-L328 VanDerWaalsContact O-CG 3.25Å; A324-L328 WeakPolarHBondContact O-CG 3.19Å; A324-L328 PolarHBondContact O-N 3.01Å; A324-V335 HydrophobicContact CB-CG1 4.49Å; A324-V335 HydrophobicContact CB-CG2 4.28Å
325	V	98.5	Very high	98.2	Very high	33 Å²	33	35.6 Å²	35.6	20%	0.2	23%	0.227	C	C	.	.	H	α-helix	trans	-69.1	-49.6	179	174	0	0	0	0	110.9	V321 A322 D323 A327 L328 E329 V335 G354	V321-V325 HydrophobicContact CG1-CG2 4.28Å; V321-V325 WeakPolarHBondContact O-CG2 3.49Å; V321-V325 PolarHBondContact O-N 3.35Å; A322-V325 PolarHBondContact O-N 3.09Å; D323-V325 VanDerWaalsContact C-N 3.34Å; V325-A327 PolarHBondContact O-N 3.41Å; V325-L328 CarbonylContact O-C 3.48Å; V325-L328 PolarHBondContact O-N 3.33Å; V325-E329 PolarHBondContact O-N 2.92Å; V325-V335 HydrophobicContact CG2-CB 3.8Å; V325-V335 HydrophobicContact CG2-CG1 4.05Å; V325-V335 HydrophobicContact CG2-CG2 3.77Å; V325-G354 VanDerWaalsContact CG2-C 3.46Å; V325-G354 WeakPolarHBondContact CG2-O 3.35Å
326	E	98.3	Very high	98.2	Very high	139 Å²	139	34.1 Å²	34.1	65%	0.65	22%	0.218	S	C	*	.	H	α-helix	trans	-55.8	-42.7	175	-175.2	-174.1	166.4	0	0	110.7	A322 L328 E329	A322-E326 WeakPolarHBondContact O-CB 3.43Å; A322-E326 PolarHBondContact O-N 3.1Å; E326-L328 PolarHBondContact O-N 3.43Å; E326-E329 WeakPolarHBondContact O-CB 3.23Å; E326-E329 PolarHBondContact O-N 2.77Å
327	A	98.4	Very high	98.2	Very high	9 Å²	9	32.3 Å²	32.3	7%	0.074	21%	0.206	C	C	.	.	H	α-helix	trans	-66.6	-23.4	179.9	0	0	0	0	0	114.6	A281 R285 D323 V325	A281-A327 VanDerWaalsContact CA-CB 3.47Å; A281-A327 HydrophobicContact CB-CB 3.53Å; A281-A327 WeakPolarHBondContact O-CB 3.34Å; R285-A327 HydrophobicContact CG-CB 4.1Å; R285-A327 WeakPolarHBondContact CG-O 3.09Å; R285-A327 PolarHBondContact NE-O 2.98Å; D323-A327 VanDerWaalsContact O-CB 3.23Å; D323-A327 WeakPolarHBondContact O-CB 3.27Å; D323-A327 PolarHBondContact O-N 3.37Å; D323-A327 VanDerWaalsContact O-N 3.11Å; V325-A327 PolarHBondContact O-N 3.41Å
328	L	98.4	Very high	98.2	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.042	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	5.4	-177.8	-65.9	176.9	0	0	0	113	A284 A288 V295 A324 V325 E326 G330 T331 I333 V335	A284-L328 HydrophobicContact CB-CD1 4.12Å; A284-L328 HydrophobicContact CB-CG 4.14Å; A288-L328 HydrophobicContact CB-CD2 3.52Å; V295-L328 HydrophobicContact CB-CD1 4.02Å; V295-L328 HydrophobicContact CG2-CD1 3.8Å; A324-L328 WeakPolarHBondContact O-CB 3.24Å; A324-L328 VanDerWaalsContact O-CG 3.25Å; A324-L328 WeakPolarHBondContact O-CG 3.19Å; A324-L328 PolarHBondContact O-N 3.01Å; V325-L328 CarbonylContact O-C 3.48Å; V325-L328 PolarHBondContact O-N 3.33Å; E326-L328 PolarHBondContact O-N 3.43Å; L328-G330 PolarHBondContact O-N 3.27Å; L328-T331 WeakPolarHBondContact O-CB 3.42Å; L328-T331 WeakPolarHBondContact O-CG2 3.19Å; L328-T331 PolarHBondContact O-N 3.46Å; L328-T331 VanDerWaalsContact O-N 3.09Å; L328-T331 PolarHBondContact O-OG1 2.84Å; L328-I333 HydrophobicContact CD1-CG2 4.27Å; L328-V335 HydrophobicContact CD1-CG2 3.81Å
329	E	96.9	Very high	98.1	Very high	163 Å²	163	33.2 Å²	33.2	76%	0.762	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	137	176	-169.1	173.7	-162.6	0	0	110.8	V325 E326 T331	V325-E329 PolarHBondContact O-N 2.92Å; E326-E329 WeakPolarHBondContact O-CB 3.23Å; E326-E329 PolarHBondContact O-N 2.77Å; E329-T331 PolarHBondContact O-N 2.98Å
330	G	96	Very high	98	Very high	86 Å²	86	33.3 Å²	33.3	89%	0.887	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.6	-12.9	-177.1	0	0	0	0	0	116.2	L328	L328-G330 PolarHBondContact O-N 3.27Å
331	T	96.7	Very high	98	Very high	51 Å²	51	33.6 Å²	33.6	31%	0.313	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-22.7	178.7	69.9	0	0	0	0	113.5	K36 L328 E329 I333	K36-T331 WeakPolarHBondContact CE-O 3.34Å; K36-T331 PolarHBondContact NZ-O 2.58Å; L328-T331 WeakPolarHBondContact O-CB 3.42Å; L328-T331 WeakPolarHBondContact O-CG2 3.19Å; L328-T331 PolarHBondContact O-N 3.46Å; L328-T331 VanDerWaalsContact O-N 3.09Å; L328-T331 PolarHBondContact O-OG1 2.84Å; E329-T331 PolarHBondContact O-N 2.98Å; T331-I333 VanDerWaalsContact C-N 3.26Å; T331-I333 PolarHBondContact O-N 3.28Å; T331-I333 WeakPolarHBondContact OG1-CB 3.45Å; T331-I333 PolarHBondContact OG1-N 2.88Å
332	G	95.7	Very high	97.8	Very high	51 Å²	51	38.7 Å²	38.7	53%	0.526	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	70	18.4	-172.3	0	0	0	0	0	114	K36 P334	K36-G332 VanDerWaalsContact CE-O 3.26Å; K36-G332 WeakPolarHBondContact CE-O 3.41Å; G332-P334 WeakPolarHBondContact O-CD 3.31Å
333	I	98.3	Very high	97.8	Very high	29 Å²	29	38.7 Å²	38.7	15%	0.149	23%	0.232	C	C	.	.			trans	-93.4	117.1	178.5	-64.9	173.5	0	0	0	109.3	A288 V295 L328 T331	A288-I333 HydrophobicContact CB-CD1 3.49Å; A288-I333 VanDerWaalsContact CB-CD1 3.49Å; V295-I333 HydrophobicContact CG2-CG2 4.17Å; L328-I333 HydrophobicContact CD1-CG2 4.27Å; T331-I333 VanDerWaalsContact C-N 3.26Å; T331-I333 PolarHBondContact O-N 3.28Å; T331-I333 WeakPolarHBondContact OG1-CB 3.45Å; T331-I333 PolarHBondContact OG1-N 2.88Å
334	P	98.6	Very high	97.7	Very high	13 Å²	13	38.3 Å²	38.3	8%	0.084	23%	0.231	C	C	.	.			trans	-66.2	152.6	177.7	-27	39.6	0	0	0	114.1	L34 S293 A294 V295 G332 S356	L34-P334 WeakPolarHBondContact O-CB 3.31Å; L34-P334 WeakPolarHBondContact O-CG 3.41Å; S293-P334 WeakPolarHBondContact O-CD 3.38Å; A294-P334 WeakPolarHBondContact CA-O 3.27Å; A294-P334 HydrophobicContact CB-CB 4.3Å; A294-P334 WeakPolarHBondContact CB-O 3.32Å; V295-P334 PolarHBondContact N-O 2.62Å; G332-P334 WeakPolarHBondContact O-CD 3.31Å; P334-S356 WeakPolarHBondContact CB-OG 3.07Å
335	V	98.8	Very high	97.7	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136.4	173.2	168.6	0	0	0	0	110.3	V295 V297 V321 A324 V325 L328 A355 S356	V295-V335 CarbonylContact O-C 3.6Å; V295-V335 WeakPolarHBondContact O-CA 2.94Å; V297-V335 HydrophobicContact CB-CG1 4.18Å; V297-V335 HydrophobicContact CG2-CG1 3.55Å; V321-V335 HydrophobicContact CG1-CG1 4.41Å; A324-V335 HydrophobicContact CB-CG1 4.49Å; A324-V335 HydrophobicContact CB-CG2 4.28Å; V325-V335 HydrophobicContact CG2-CB 3.8Å; V325-V335 HydrophobicContact CG2-CG1 4.05Å; V325-V335 HydrophobicContact CG2-CG2 3.77Å; L328-V335 HydrophobicContact CD1-CG2 3.81Å; V335-A355 CarbonylContact O-C 3.56Å; V335-A355 WeakPolarHBondContact O-CA 3.35Å; V335-S356 PolarHBondContact O-N 3.07Å
336	I	98.9	Very high	97.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	122.1	176.8	-58.2	161.5	0	0	0	108.7	L34 L45 I274 A294 V295 K296 V297 A357 M359	L34-I336 HydrophobicContact CD1-CD1 3.58Å; L34-I336 HydrophobicContact CD1-CG1 3.98Å; L45-I336 HydrophobicContact CD1-CD1 3.88Å; L45-I336 HydrophobicContact CD1-CG1 4.18Å; L45-I336 HydrophobicContact CD1-CG2 3.79Å; I274-I336 HydrophobicContact CD1-CD1 3.63Å; I274-I336 HydrophobicContact CG1-CD1 4.02Å; I274-I336 HydrophobicContact CG2-CD1 3.82Å; A294-I336 HydrophobicContact CB-CD1 4.37Å; V295-I336 PolarHBondContact O-N 2.8Å; K296-I336 HydrophobicContact CB-CB 4.49Å; K296-I336 HydrophobicContact CG-CB 4.47Å; K296-I336 HydrophobicContact CG-CG2 4.43Å; V297-I336 PolarHBondContact N-O 3.08Å; I336-A357 WeakPolarHBondContact CA-O 3.42Å; I336-M359 HydrophobicContact CG2-CB 3.96Å
337	A	98.9	Very high	97.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	114.2	174.3	0	0	0	0	0	110.6	V321 A350 A355 A357 V358 M359	V321-A337 HydrophobicContact CG2-CB 3.66Å; A337-A350 HydrophobicContact CB-CB 3.89Å; A337-A355 HydrophobicContact CB-CB 3.72Å; A337-A357 PolarHBondContact N-O 2.87Å; A337-V358 HydrophobicContact CB-CG1 4.32Å; A337-V358 CarbonylContact O-C 3.45Å; A337-V358 WeakPolarHBondContact O-CA 3.34Å; A337-M359 PolarHBondContact O-N 3.35Å
338	D	98.7	Very high	97.7	Very high	19 Å²	19	31.6 Å²	31.6	10%	0.102	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	114.3	-175.4	-180	20.7	0	0	0	111.9	N277 K296 V297 P301 Q317 M359	N277-D338 PolarHBondContact ND2-OD2 2.88Å; K296-D338 HydrophobicContact CD-CB 3.91Å; K296-D338 HydrophobicContact CG-CB 3.62Å; K296-D338 IonicContact NZ-OD2 3.97Å; K296-D338 PolarHBondContact NZ-OD2 3.08Å; V297-D338 PolarHBondContact O-N 2.93Å; P301-D338 WeakPolarHBondContact CG-O 3.25Å; Q317-D338 PolarHBondContact NE2-O 3.19Å; D338-M359 HydrophobicContact CB-CB 4.1Å
339	G	97	Very high	97.8	Very high	13 Å²	13	32.2 Å²	32.2	13%	0.134	21%	0.208	C	C	.	.	S	Bend	trans	90.9	162.8	176	0	0	0	0	0	115.6	I341 M359	G339-I341 VanDerWaalsContact C-N 3.27Å; G339-I341 PolarHBondContact O-N 3.01Å; G339-M359 PolarHBondContact N-O 3.37Å
340	G	96.6	Very high	97.8	Very high	19 Å²	19	24.4 Å²	24.4	20%	0.196	17%	0.172	C	C	.	.			trans	80.6	-7.6	-179.7	0	0	0	0	0	116	P301 R342	P301-G340 WeakPolarHBondContact O-CA 3.47Å; P301-G340 PolarHBondContact O-N 2.68Å; P301-G340 VanDerWaalsContact O-N 3.1Å; G340-R342 PolarHBondContact O-N 3.38Å
341	I	97.6	Very high	98	Very high	7 Å²	7	20.3 Å²	20.3	4%	0.036	13%	0.129	C	C	.	.			trans	-75.6	116.2	178.1	-52.3	-61.1	0	0	0	110.3	F11 G339 D346 I347 A350 V358 V360 M363	F11-I341 HydrophobicContact CE1-CD1 3.8Å; F11-I341 HydrophobicContact CE2-CD1 4.08Å; F11-I341 HydrophobicContact CZ-CD1 3.43Å; F11-I341 VanDerWaalsContact CZ-CD1 3.43Å; G339-I341 VanDerWaalsContact C-N 3.27Å; G339-I341 PolarHBondContact O-N 3.01Å; I341-D346 HydrophobicContact CB-CB 4.43Å; I341-D346 HydrophobicContact CD1-CB 3.84Å; I341-D346 HydrophobicContact CG2-CB 4.07Å; I341-I347 HydrophobicContact CG2-CD1 4.39Å; I341-I347 HydrophobicContact CG2-CG1 3.56Å; I341-A350 HydrophobicContact CD1-CB 4.09Å; I341-V358 HydrophobicContact CD1-CG1 4.37Å; I341-V358 HydrophobicContact CG1-CB 4.46Å; I341-V360 HydrophobicContact CB-CG1 4.06Å; I341-V360 HydrophobicContact CG1-CG1 4.33Å; I341-V360 HydrophobicContact CG2-CG1 4.02Å; I341-M363 HydrophobicContact CG2-CE 3.85Å
342	R	96.2	Very high	98.1	Very high	107 Å²	107	18.3 Å²	18.3	40%	0.404	12%	0.118	S	C	.	.			trans	-111.4	-40.7	178.6	-59.5	161	-62.4	171.2	7.4	111.5	D12 G340 D346	D12-R342 IonicContact OD1-CZ 3.37Å; D12-R342 IonicContact OD1-NH1 2.75Å; D12-R342 IonicContact OD1-NH2 3.39Å; D12-R342 PolarHBondContact OD1-NH2 2.9Å; D12-R342 IonicContact OD2-CZ 3.66Å; D12-R342 IonicContact OD2-NH1 3.92Å; D12-R342 PolarHBondContact OD2-NH1 3.28Å; D12-R342 IonicContact OD2-NH2 2.65Å; D12-R342 PolarHBondContact OD2-NH2 3.33Å; D12-R342 VanDerWaalsContact OD2-NH2 3.15Å; G340-R342 PolarHBondContact O-N 3.38Å; R342-D346 WeakPolarHBondContact CB-OD2 3.45Å; R342-D346 PolarHBondContact N-OD2 3.31Å; R342-D346 IonicContact NE-OD2 3.28Å; R342-D346 IonicContact NH2-OD1 3.74Å; R342-D346 IonicContact NH2-OD2 3.38Å
343	F	96.7	Very high	98.2	Very high	39 Å²	39	16.5 Å²	16.5	17%	0.171	10%	0.098	C	C	.	.	S	Bend	trans	-122.2	163.7	-177.8	-53.6	-75.5	0	0	0	111.4	G345 D346 Y484	F343-G345 PolarHBondContact O-N 3.32Å; F343-D346 PolarHBondContact N-OD2 3.32Å; F343-D346 WeakPolarHBondContact O-CB 3.27Å; F343-D346 PolarHBondContact O-N 2.75Å; F343-Y484 HydrophobicContact CE1-CD2 4.3Å
344	S	97.8	Very high	98.2	Very high	15 Å²	15	15.3 Å²	15.3	11%	0.105	9%	0.092	C	C	.	.	H	α-helix	trans	-59.1	-30.4	175.1	56.2	0	0	0	0	113	D346 I347 A348	S344-D346 VanDerWaalsContact C-N 3.29Å; S344-D346 PolarHBondContact O-N 3.25Å; S344-I347 WeakPolarHBondContact O-CB 3.48Å; S344-I347 PolarHBondContact O-N 3.48Å; S344-A348 PolarHBondContact O-N 3.46Å
345	G	98.3	Very high	98.2	Very high	34 Å²	34	14.7 Å²	14.7	35%	0.351	9%	0.088	S	C	.	.	H	α-helix	trans	-60.5	-36.3	172.1	0	0	0	0	0	113	F343 I347 A348 K349	F343-G345 PolarHBondContact O-N 3.32Å; G345-I347 VanDerWaalsContact C-N 3.27Å; G345-I347 PolarHBondContact O-N 3.28Å; G345-A348 PolarHBondContact O-N 3.18Å; G345-K349 VanDerWaalsContact O-CG 3.27Å; G345-K349 WeakPolarHBondContact O-CG 3.45Å; G345-K349 PolarHBondContact O-N 3.49Å
346	D	98.6	Very high	98.2	Very high	4 Å²	4	15 Å²	15	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-66.9	-32.3	177.6	-58.3	-29.6	0	0	0	111.2	F11 I341 R342 F343 S344 K349 A350	F11-D346 WeakPolarHBondContact CB-OD1 3.25Å; F11-D346 HydrophobicContact CD1-CB 3.97Å; F11-D346 HydrophobicContact CE1-CB 4.31Å; F11-D346 WeakPolarHBondContact CE1-O 3.17Å; F11-D346 HydrophobicContact CG-CB 4.1Å; I341-D346 HydrophobicContact CB-CB 4.43Å; I341-D346 HydrophobicContact CD1-CB 3.84Å; I341-D346 HydrophobicContact CG2-CB 4.07Å; R342-D346 WeakPolarHBondContact CB-OD2 3.45Å; R342-D346 PolarHBondContact N-OD2 3.31Å; R342-D346 IonicContact NE-OD2 3.28Å; R342-D346 IonicContact NH2-OD1 3.74Å; R342-D346 IonicContact NH2-OD2 3.38Å; F343-D346 PolarHBondContact N-OD2 3.32Å; F343-D346 WeakPolarHBondContact O-CB 3.27Å; F343-D346 PolarHBondContact O-N 2.75Å; S344-D346 VanDerWaalsContact C-N 3.29Å; S344-D346 PolarHBondContact O-N 3.25Å; D346-K349 PolarHBondContact O-N 2.74Å; D346-A350 WeakPolarHBondContact O-CB 3.22Å; D346-A350 PolarHBondContact O-N 2.7Å
347	I	98.8	Very high	98.2	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.2	-49.2	172.8	-54.8	177.8	0	0	0	109.9	M44 I341 S344 G345 K349 A350 I351 V358 M363 Q434 M435 L438	M44-I347 HydrophobicContact CE-CD1 3.68Å; I341-I347 HydrophobicContact CG2-CD1 4.39Å; I341-I347 HydrophobicContact CG2-CG1 3.56Å; S344-I347 WeakPolarHBondContact O-CB 3.48Å; S344-I347 PolarHBondContact O-N 3.48Å; G345-I347 VanDerWaalsContact C-N 3.27Å; G345-I347 PolarHBondContact O-N 3.28Å; I347-K349 VanDerWaalsContact C-N 3.35Å; I347-K349 PolarHBondContact O-N 3.39Å; I347-A350 PolarHBondContact O-N 3.12Å; I347-I351 HydrophobicContact CG2-CD1 3.84Å; I347-I351 WeakPolarHBondContact O-CG1 3.22Å; I347-I351 PolarHBondContact O-N 3.07Å; I347-V358 HydrophobicContact CB-CG2 4.46Å; I347-V358 HydrophobicContact CD1-CG2 4.46Å; I347-V358 HydrophobicContact CG1-CG2 4.13Å; I347-V358 HydrophobicContact CG2-CG1 4.06Å; I347-V358 HydrophobicContact CG2-CG2 3.82Å; I347-M363 HydrophobicContact CD1-CE 4.39Å; I347-M363 HydrophobicContact CD1-SD 4.35Å; I347-Q434 HydrophobicContact CD1-CB 3.95Å; I347-Q434 HydrophobicContact CD1-CG 4.38Å; I347-M435 HydrophobicContact CD1-CE 4.38Å; I347-L438 HydrophobicContact CG2-CD2 4.36Å
348	A	98.7	Very high	98.2	Very high	2 Å²	2	15 Å²	15	2%	0.017	9%	0.091	C	C	.	.	H	α-helix	trans	-61.2	-43.8	178.7	0	0	0	0	0	111.8	L16 S344 G345 I351 A352 L438 C441	L16-A348 HydrophobicContact CD1-CB 4.15Å; S344-A348 PolarHBondContact O-N 3.46Å; G345-A348 PolarHBondContact O-N 3.18Å; A348-I351 PolarHBondContact O-N 2.63Å; A348-A352 WeakPolarHBondContact O-CB 3.38Å; A348-A352 PolarHBondContact O-N 3.15Å; A348-L438 HydrophobicContact CB-CD1 3.89Å; A348-C441 HydrophobicContact CB-CB 3.83Å
349	K	98.9	Very high	98.2	Very high	21 Å²	21	14.1 Å²	14.1	9%	0.091	9%	0.086	C	C	.	.	H	α-helix	trans	-63.4	-41.8	175.8	-64.7	174.5	-176.7	-173.9	0	112	F11 V14 I318 G345 D346 I347 I351 A352 A353 F459	F11-K349 HydrophobicContact CB-CD 4.42Å; F11-K349 HydrophobicContact CD1-CB 4.08Å; F11-K349 WeakPolarHBondContact O-CD 3.29Å; F11-K349 PolarHBondContact O-NZ 3.24Å; V14-K349 HydrophobicContact CG2-CD 4.37Å; V14-K349 WeakPolarHBondContact O-CE 3.4Å; V14-K349 PolarHBondContact O-NZ 3.2Å; I318-K349 HydrophobicContact CD1-CB 4.01Å; G345-K349 VanDerWaalsContact O-CG 3.27Å; G345-K349 WeakPolarHBondContact O-CG 3.45Å; G345-K349 PolarHBondContact O-N 3.49Å; D346-K349 PolarHBondContact O-N 2.74Å; I347-K349 VanDerWaalsContact C-N 3.35Å; I347-K349 PolarHBondContact O-N 3.39Å; K349-I351 VanDerWaalsContact C-N 3.34Å; K349-I351 PolarHBondContact O-N 3.43Å; K349-A352 PolarHBondContact O-N 2.88Å; K349-A353 WeakPolarHBondContact O-CB 3.42Å; K349-A353 PolarHBondContact O-N 2.88Å; K349-F459 HydrophobicContact CB-CE1 4.02Å; K349-F459 HydrophobicContact CB-CZ 4.37Å; K349-F459 HydrophobicContact CG-CE1 4.04Å; K349-F459 WeakPolarHBondContact O-CZ 2.96Å
350	A	98.9	Very high	98.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.4	-42.2	176	0	0	0	0	0	112.1	F11 A337 I341 D346 I347 A353 A355 V358	F11-A350 HydrophobicContact CE1-CB 3.99Å; F11-A350 HydrophobicContact CZ-CB 4.49Å; A337-A350 HydrophobicContact CB-CB 3.89Å; I341-A350 HydrophobicContact CD1-CB 4.09Å; D346-A350 WeakPolarHBondContact O-CB 3.22Å; D346-A350 PolarHBondContact O-N 2.7Å; I347-A350 PolarHBondContact O-N 3.12Å; A350-A353 PolarHBondContact O-N 3.28Å; A350-A355 VanDerWaalsContact O-CB 3.25Å; A350-A355 WeakPolarHBondContact O-CB 3.48Å; A350-A355 PolarHBondContact O-N 2.9Å; A350-V358 HydrophobicContact CB-CG1 3.7Å
351	I	98.9	Very high	98.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-67.1	-46.7	178.4	-67.9	169.2	0	0	0	110.6	P43 I347 A348 K349 A353 G354 A355 L438 I450 L453 R454	P43-I351 HydrophobicContact CB-CD1 3.89Å; P43-I351 HydrophobicContact CG-CD1 3.61Å; I347-I351 HydrophobicContact CG2-CD1 3.84Å; I347-I351 WeakPolarHBondContact O-CG1 3.22Å; I347-I351 PolarHBondContact O-N 3.07Å; A348-I351 PolarHBondContact O-N 2.63Å; K349-I351 VanDerWaalsContact C-N 3.34Å; K349-I351 PolarHBondContact O-N 3.43Å; I351-A353 PolarHBondContact O-N 3.06Å; I351-G354 WeakPolarHBondContact O-CA 3.42Å; I351-G354 PolarHBondContact O-N 3.28Å; I351-A355 WeakPolarHBondContact CA-O 3.47Å; I351-L438 HydrophobicContact CD1-CD1 4Å; I351-L438 HydrophobicContact CD1-CD2 3.76Å; I351-I450 HydrophobicContact CD1-CD1 4.32Å; I351-I450 HydrophobicContact CG2-CG2 3.84Å; I351-L453 HydrophobicContact CB-CD2 4.18Å; I351-L453 HydrophobicContact CG2-CB 4.29Å; I351-L453 HydrophobicContact CG2-CD2 3.73Å; I351-L453 HydrophobicContact CG2-CG 3.97Å; I351-R454 HydrophobicContact CG2-CG 3.71Å; I351-R454 WeakPolarHBondContact O-CA 3.33Å; I351-R454 VanDerWaalsContact O-CG 3.22Å; I351-R454 WeakPolarHBondContact O-CG 3.44Å
352	A	98.8	Very high	98.2	Very high	8 Å²	8	14 Å²	14	7%	0.066	8%	0.082	C	C	.	.	H	α-helix	trans	-65.5	-25.5	177	0	0	0	0	0	113.3	L16 A348 K349 G354 L453 A457 F459	L16-A352 HydrophobicContact CD1-CB 4.21Å; L16-A352 HydrophobicContact CD2-CB 3.51Å; L16-A352 HydrophobicContact CG-CB 4.47Å; A348-A352 WeakPolarHBondContact O-CB 3.38Å; A348-A352 PolarHBondContact O-N 3.15Å; K349-A352 PolarHBondContact O-N 2.88Å; A352-G354 PolarHBondContact O-N 2.88Å; A352-L453 WeakPolarHBondContact CA-O 3.23Å; A352-L453 HydrophobicContact CB-CD1 4.08Å; A352-L453 HydrophobicContact CB-CG 4.26Å; A352-A457 HydrophobicContact CB-CB 4.1Å; A352-F459 HydrophobicContact CB-CE1 4.49Å; A352-F459 HydrophobicContact CB-CE2 3.89Å; A352-F459 HydrophobicContact CB-CZ 3.58Å
353	A	98.7	Very high	98.2	Very high	14 Å²	14	9.4 Å²	9.4	12%	0.116	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-1.5	168.2	0	0	0	0	0	113.4	I318 V321 K349 A350 I351 F459	I318-A353 HydrophobicContact CD1-CB 3.97Å; I318-A353 HydrophobicContact CG2-CB 4.21Å; V321-A353 HydrophobicContact CB-CB 4.45Å; V321-A353 HydrophobicContact CG1-CB 4.04Å; K349-A353 WeakPolarHBondContact O-CB 3.42Å; K349-A353 PolarHBondContact O-N 2.88Å; A350-A353 PolarHBondContact O-N 3.28Å; I351-A353 PolarHBondContact O-N 3.06Å; A353-F459 HydrophobicContact CB-CE2 4.41Å; A353-F459 HydrophobicContact CB-CZ 4.47Å
354	G	98.6	Very high	98.3	Very high	3 Å²	3	7.6 Å²	7.6	3%	0.031	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.1	13.7	175.4	0	0	0	0	0	115.2	V325 I351 A352 R454	V325-G354 VanDerWaalsContact CG2-C 3.46Å; V325-G354 WeakPolarHBondContact CG2-O 3.35Å; I351-G354 WeakPolarHBondContact O-CA 3.42Å; I351-G354 PolarHBondContact O-N 3.28Å; A352-G354 PolarHBondContact O-N 2.88Å; G354-R454 PolarHBondContact O-NH1 3.46Å; G354-R454 PolarHBondContact O-NH2 2.96Å
355	A	98.8	Very high	98.2	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	5%	0.053	C	C	.	.			trans	-79.1	139.9	169.5	0	0	0	0	0	112	V321 V335 A337 A350 I351 R454	V321-A355 HydrophobicContact CG1-CB 3.82Å; V335-A355 CarbonylContact O-C 3.56Å; V335-A355 WeakPolarHBondContact O-CA 3.35Å; A337-A355 HydrophobicContact CB-CB 3.72Å; A350-A355 VanDerWaalsContact O-CB 3.25Å; A350-A355 WeakPolarHBondContact O-CB 3.48Å; A350-A355 PolarHBondContact O-N 2.9Å; I351-A355 WeakPolarHBondContact CA-O 3.47Å; A355-R454 PolarHBondContact O-NH1 2.67Å
356	S	98.7	Very high	98.1	Very high	9 Å²	9	5.2 Å²	5.2	6%	0.063	4%	0.036	C	C	.	.	S	Bend	trans	-83.2	-30.3	-178.1	-62.5	0	0	0	0	110.8	T32 Q33 P334 V335 R454	T32-S356 WeakPolarHBondContact CB-O 3.15Å; T32-S356 VanDerWaalsContact CG2-O 3.27Å; T32-S356 WeakPolarHBondContact CG2-O 3.16Å; T32-S356 PolarHBondContact OG1-O 3.18Å; Q33-S356 VanDerWaalsContact O-CB 3.29Å; Q33-S356 WeakPolarHBondContact O-CB 3.35Å; P334-S356 WeakPolarHBondContact CB-OG 3.07Å; V335-S356 PolarHBondContact O-N 3.07Å; S356-R454 PolarHBondContact OG-NH1 2.85Å
357	A	98.8	Very high	98	Very high	1 Å²	1	5 Å²	5	1%	0.008	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	163.5	175	0	0	0	0	0	110	L40 P43 L45 I336 A337	L40-A357 HydrophobicContact CD1-CB 4.01Å; P43-A357 HydrophobicContact CB-CB 4.43Å; P43-A357 WeakPolarHBondContact O-CA 3.45Å; L45-A357 HydrophobicContact CD1-CB 4.47Å; L45-A357 HydrophobicContact CG-CB 4.39Å; I336-A357 WeakPolarHBondContact CA-O 3.42Å; A337-A357 PolarHBondContact N-O 2.87Å
358	V	98.9	Very high	97.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	144	171.9	-59.4	0	0	0	0	110.8	P43 L45 A337 I341 I347 A350 V360	P43-V358 PolarHBondContact O-N 3.22Å; L45-V358 PolarHBondContact N-O 3.31Å; A337-V358 HydrophobicContact CB-CG1 4.32Å; A337-V358 CarbonylContact O-C 3.45Å; A337-V358 WeakPolarHBondContact O-CA 3.34Å; I341-V358 HydrophobicContact CD1-CG1 4.37Å; I341-V358 HydrophobicContact CG1-CB 4.46Å; I347-V358 HydrophobicContact CB-CG2 4.46Å; I347-V358 HydrophobicContact CD1-CG2 4.46Å; I347-V358 HydrophobicContact CG1-CG2 4.13Å; I347-V358 HydrophobicContact CG2-CG1 4.06Å; I347-V358 HydrophobicContact CG2-CG2 3.82Å; A350-V358 HydrophobicContact CB-CG1 3.7Å; V358-V360 HydrophobicContact CG2-CG1 4.06Å
359	M	98.9	Very high	97.9	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.005	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.9	168.7	-178.5	168.7	-74	0	0	109.5	L45 A47 F69 L246 K296 I336 A337 D338 G339	L45-M359 HydrophobicContact CB-CB 4.28Å; L45-M359 HydrophobicContact CB-CE 4.03Å; L45-M359 HydrophobicContact CB-CG 4.45Å; L45-M359 HydrophobicContact CD1-CE 4.07Å; L45-M359 WeakPolarHBondContact O-CA 3.37Å; A47-M359 HydrophobicContact CB-CG 4.04Å; A47-M359 HydrophobicContact CB-SD 4.38Å; F69-M359 HydrophobicContact CD2-CE 3.56Å; F69-M359 HydrophobicContact CE2-CE 3.84Å; F69-M359 HydrophobicContact CG-CE 4.11Å; L246-M359 HydrophobicContact CD2-CE 4.38Å; K296-M359 HydrophobicContact CD-CE 4.02Å; K296-M359 HydrophobicContact CD-SD 3.62Å; I336-M359 HydrophobicContact CG2-CB 3.96Å; A337-M359 PolarHBondContact O-N 3.35Å; D338-M359 HydrophobicContact CB-CB 4.1Å; G339-M359 PolarHBondContact N-O 3.37Å
360	V	98.5	Very high	97.8	Very high	3 Å²	3	8 Å²	8	2%	0.018	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.7	-173.3	-63.6	0	0	0	0	112.6	M44 L45 A47 I341 V358 M363 L364	M44-V360 HydrophobicContact CG-CG2 3.97Å; M44-V360 HydrophobicContact SD-CG2 3.95Å; L45-V360 PolarHBondContact O-N 3.29Å; A47-V360 PolarHBondContact N-O 3.42Å; I341-V360 HydrophobicContact CB-CG1 4.06Å; I341-V360 HydrophobicContact CG1-CG1 4.33Å; I341-V360 HydrophobicContact CG2-CG1 4.02Å; V358-V360 HydrophobicContact CG2-CG1 4.06Å; V360-M363 HydrophobicContact CB-CB 4.19Å; V360-M363 HydrophobicContact CG1-SD 4.29Å; V360-M363 HydrophobicContact CG2-CB 4.45Å; V360-L364 HydrophobicContact CG2-CD1 3.62Å; V360-L364 HydrophobicContact CG2-CG 3.75Å
361	G	97.3	Very high	97.7	Very high	11 Å²	11	9.9 Å²	9.9	11%	0.113	6%	0.061	C	C	.	.	S	Bend	trans	-106.2	-81.9	175.9	0	0	0	0	0	112.3	M363 L364 A365	G361-M363 PolarHBondContact O-N 3.45Å; G361-M363 VanDerWaalsContact O-N 3.09Å; G361-L364 PolarHBondContact O-N 3.46Å; G361-A365 PolarHBondContact O-N 3.36Å
362	S	95.7	Very high	97.3	Very high	21 Å²	21	10.2 Å²	10.2	15%	0.147	7%	0.065	C	C	.	.	H	α-helix	trans	-56.1	-29.7	-173.3	47.4	0	0	0	0	115.1	S303 L364 Y385 K424	S303-S362 WeakPolarHBondContact OG-CB 3.37Å; S303-S362 PolarHBondContact OG-OG 3.28Å; S303-S362 VanDerWaalsContact OG-OG 3.12Å; S362-L364 VanDerWaalsContact C-N 3.26Å; S362-L364 PolarHBondContact O-N 2.78Å; S362-Y385 PolarHBondContact N-OH 3.21Å; S362-Y385 VanDerWaalsContact N-OH 3.15Å; S362-K424 PolarHBondContact O-NZ 3.3Å
363	M	96	Very high	96.8	Very high	12 Å²	12	16.7 Å²	16.7	6%	0.059	9%	0.094	C	C	.	.	H	α-helix	trans	-61.8	-35.1	175.8	-175.1	174.7	-80.1	0	0	112.2	M44 I341 I347 V360 G361 K424 I430 Q434	M44-M363 HydrophobicContact CE-SD 4.12Å; I341-M363 HydrophobicContact CG2-CE 3.85Å; I347-M363 HydrophobicContact CD1-CE 4.39Å; I347-M363 HydrophobicContact CD1-SD 4.35Å; V360-M363 HydrophobicContact CB-CB 4.19Å; V360-M363 HydrophobicContact CG1-SD 4.29Å; V360-M363 HydrophobicContact CG2-CB 4.45Å; G361-M363 PolarHBondContact O-N 3.45Å; G361-M363 VanDerWaalsContact O-N 3.09Å; M363-K424 WeakPolarHBondContact O-CD 3.18Å; M363-I430 HydrophobicContact CG-CG2 4.14Å; M363-Q434 HydrophobicContact CE-CG 4.23Å; M363-Q434 HydrophobicContact CG-CG 4.48Å; M363-Q434 HydrophobicContact SD-CG 3.56Å; M363-Q434 VanDerWaalsContact SD-CG 3.56Å
364	L	97.7	Very high	96.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-104.8	-18.5	-178.4	-60.1	-176.7	0	0	0	113.3	M44 V52 L57 V360 G361 S362 G366 T367 L427 I430 I431	M44-L364 HydrophobicContact SD-CD1 4.49Å; V52-L364 HydrophobicContact CG1-CB 4.25Å; L57-L364 HydrophobicContact CD1-CB 4.15Å; L57-L364 HydrophobicContact CD2-CD1 4.49Å; V360-L364 HydrophobicContact CG2-CD1 3.62Å; V360-L364 HydrophobicContact CG2-CG 3.75Å; G361-L364 PolarHBondContact O-N 3.46Å; S362-L364 VanDerWaalsContact C-N 3.26Å; S362-L364 PolarHBondContact O-N 2.78Å; L364-G366 PolarHBondContact O-N 3.09Å; L364-G366 VanDerWaalsContact O-N 3.11Å; L364-T367 HydrophobicContact CD2-CG2 4.46Å; L364-T367 WeakPolarHBondContact O-CG2 3.42Å; L364-T367 PolarHBondContact O-N 3.2Å; L364-T367 PolarHBondContact O-OG1 3.15Å; L364-L427 HydrophobicContact CD1-CD1 4.42Å; L364-L427 HydrophobicContact CD2-CD1 4.16Å; L364-L427 HydrophobicContact CD2-CG 4.32Å; L364-I430 HydrophobicContact CD2-CG2 4.3Å; L364-I431 HydrophobicContact CD2-CD1 4.35Å
365	A	97.1	Very high	96.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.6	-29.3	-178.5	0	0	0	0	0	114.1	V52 G361 S370 Y385 V421	V52-A365 HydrophobicContact CG2-CB 4.1Å; G361-A365 PolarHBondContact O-N 3.36Å; A365-S370 WeakPolarHBondContact O-CB 3.44Å; A365-S370 PolarHBondContact O-OG 3.46Å; A365-Y385 HydrophobicContact CB-CD2 3.28Å; A365-Y385 HydrophobicContact CB-CE2 3.79Å; A365-Y385 HydrophobicContact CB-CG 3.75Å; A365-V421 HydrophobicContact CB-CG2 3.92Å
366	G	95.1	Very high	95.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-0.3	179.7	0	0	0	0	0	115.1	L364 Y423 K424	L364-G366 PolarHBondContact O-N 3.09Å; L364-G366 VanDerWaalsContact O-N 3.11Å; G366-Y423 WeakPolarHBondContact O-CA 3.43Å; G366-K424 PolarHBondContact O-N 2.92Å
367	T	97.2	Very high	95.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-77.5	159.4	-176.2	65.1	0	0	0	0	112.2	L364 E369 S370 K383 K424 G425 L427 I430	L364-T367 HydrophobicContact CD2-CG2 4.46Å; L364-T367 WeakPolarHBondContact O-CG2 3.42Å; L364-T367 PolarHBondContact O-N 3.2Å; L364-T367 PolarHBondContact O-OG1 3.15Å; T367-E369 PolarHBondContact O-N 2.92Å; T367-S370 PolarHBondContact O-N 3.27Å; T367-S370 PolarHBondContact O-OG 3.09Å; T367-K383 VanDerWaalsContact O-CD 3.29Å; T367-K383 WeakPolarHBondContact O-CD 3.24Å; T367-K383 PolarHBondContact O-NZ 2.94Å; T367-K424 HydrophobicContact CG2-CB 4.48Å; T367-G425 CarbonylContact C-O 3.51Å; T367-G425 WeakPolarHBondContact CA-O 3.5Å; T367-G425 WeakPolarHBondContact CB-O 3.45Å; T367-L427 HydrophobicContact CG2-CB 4.2Å; T367-I430 HydrophobicContact CG2-CG1 4.08Å
368	E	96.9	Very high	95	Very high	51 Å²	51	42.4 Å²	42.4	24%	0.238	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-35.1	176.5	177.2	51.3	-150.3	0	0	112.3	R56 Y423 G425 R426	R56-E368 VanDerWaalsContact CZ-O 3.28Å; R56-E368 IonicContact CZ-OE1 3.88Å; R56-E368 PolarHBondContact NH1-O 2.78Å; R56-E368 VanDerWaalsContact NH1-O 3.09Å; R56-E368 IonicContact NH1-OE1 2.6Å; R56-E368 PolarHBondContact NH1-OE1 3.03Å; R56-E368 VanDerWaalsContact NH2-CG 3.32Å; R56-E368 IonicContact NH2-OE1 2.65Å; R56-E368 PolarHBondContact NH2-OE1 3.24Å; E368-Y423 HydrophobicContact CB-CE2 4.21Å; E368-Y423 PolarHBondContact OE2-OH 2.66Å; E368-Y423 VanDerWaalsContact OE2-OH 3.05Å; E368-G425 PolarHBondContact N-O 3.21Å; E368-R426 HydrophobicContact CB-CG 4.44Å
369	E	97.9	Very high	94.6	Very high	28 Å²	28	46.1 Å²	46.1	13%	0.131	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-17.2	-177.4	-60.5	86.3	171.7	0	0	114.8	R56 L57 A60 T367 L427	R56-E369 HydrophobicContact CG-CB 4.01Å; R56-E369 HydrophobicContact CG-CG 4.22Å; L57-E369 HydrophobicContact CB-CB 4.18Å; L57-E369 PolarHBondContact N-O 2.72Å; A60-E369 HydrophobicContact CB-CB 4.35Å; A60-E369 HydrophobicContact CB-CG 3.85Å; T367-E369 PolarHBondContact O-N 2.92Å; E369-L427 PolarHBondContact OE1-N 2.96Å; E369-L427 VanDerWaalsContact OE2-CB 3.25Å; E369-L427 WeakPolarHBondContact OE2-CB 3.32Å; E369-L427 PolarHBondContact OE2-N 2.63Å
370	S	97.9	Very high	94.2	Very high	6 Å²	6	54.5 Å²	54.5	4%	0.042	28%	0.282	C	S	.	.	S	Bend	trans	-68.6	153.6	178.3	74.6	0	0	0	0	111.3	A365 T367 G372 K383	A365-S370 WeakPolarHBondContact O-CB 3.44Å; A365-S370 PolarHBondContact O-OG 3.46Å; T367-S370 PolarHBondContact O-N 3.27Å; T367-S370 PolarHBondContact O-OG 3.09Å; S370-G372 VanDerWaalsContact C-N 3.34Å; S370-G372 PolarHBondContact O-N 2.71Å; S370-K383 PolarHBondContact O-NZ 2.84Å; S370-K383 VanDerWaalsContact OG-CE 3.24Å; S370-K383 WeakPolarHBondContact OG-CE 3.33Å; S370-K383 PolarHBondContact OG-NZ 3.46Å
371	P	96.2	Very high	94	Very high	39 Å²	39	56.9 Å²	56.9	25%	0.253	30%	0.299	S	S	.	.	S	Bend	trans	-77.7	-13.5	-176.6	30.8	-36.3	0	0	0	114.4	D50 V52 E54	D50-P371 WeakPolarHBondContact O-CG 3.39Å; V52-P371 WeakPolarHBondContact O-CD 3.26Å; E54-P371 HydrophobicContact CG-CB 4Å; E54-P371 HydrophobicContact CG-CG 4.15Å
372	G	89.2	Confident	93.9	Very high	7 Å²	7	58.3 Å²	58.3	7%	0.072	30%	0.301	C	S	.	.	S	Bend	trans	-55	145.3	-179.9	0	0	0	0	0	112.6	S370 K383	S370-G372 VanDerWaalsContact C-N 3.34Å; S370-G372 PolarHBondContact O-N 2.71Å; G372-K383 WeakPolarHBondContact O-CE 3.44Å; G372-K383 PolarHBondContact O-NZ 3.38Å
373	E	88.6	Confident	93.9	Very high	145 Å²	145	57.5 Å²	57.5	68%	0.678	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-73.4	141.6	179	-65.8	-170.9	158.9	0	0	110.6	E375 K383 S384	E373-E375 PolarHBondContact O-N 2.94Å; E373-K383 WeakPolarHBondContact O-CA 3.48Å; E373-S384 PolarHBondContact N-OG 2.84Å; E373-S384 VanDerWaalsContact N-OG 3.15Å; E373-S384 PolarHBondContact O-N 3.39Å; E373-S384 VanDerWaalsContact O-N 3.14Å
374	I	91.7	Very high	93.8	Very high	94 Å²	94	58.3 Å²	58.3	48%	0.482	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	119.5	173.8	-60.8	176	0	0	0	108.6	Y382 K383 Y423	I374-Y382 CarbonylContact C-O 3.55Å; I374-Y382 VanDerWaalsContact CA-O 3.28Å; I374-Y382 WeakPolarHBondContact CA-O 3.17Å; I374-K383 HydrophobicContact CG1-CD 4.37Å; I374-K383 HydrophobicContact CG1-CG 4.16Å; I374-Y423 HydrophobicContact CD1-CD2 4.49Å; I374-Y423 HydrophobicContact CD1-CE2 4.35Å
375	E	90.5	Very high	93.6	Very high	70 Å²	70	59 Å²	59	33%	0.327	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	142.2	177.7	-67.3	176.1	-164	0	0	110.5	E373 Y382 R420	E373-E375 PolarHBondContact O-N 2.94Å; E375-Y382 PolarHBondContact N-O 3.23Å; E375-Y382 PolarHBondContact O-N 3.4Å; E375-R420 IonicContact OE2-NE 3.78Å; E375-R420 IonicContact OE2-NH2 3.94Å
376	L	91.6	Very high	93.4	Very high	141 Å²	141	60.6 Å²	60.6	74%	0.738	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	123	170.3	-67.7	174.8	0	0	0	109.7
377	Y	90.3	Very high	93.2	Very high	105 Å²	105	60.6 Å²	60.6	41%	0.412	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	124.4	174.4	-178	-108	0	0	0	110.2	G379 R380 Y382 R420	Y377-G379 PolarHBondContact O-N 3.39Å; Y377-R380 PolarHBondContact N-O 3.35Å; Y377-R380 PolarHBondContact O-N 3.5Å; Y377-Y382 HydrophobicContact CD1-CE2 4.19Å; Y377-R420 VanDerWaalsContact CE2-NH1 3.34Å
378	Q	92	Very high	93	Very high	157 Å²	157	61 Å²	61	73%	0.734	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	39.9	-177.7	-62.1	-178.9	-25.3	0	0	113.1	R380	Q378-R380 PolarHBondContact O-N 3.35Å
379	G	90.3	Very high	92.6	Very high	78 Å²	78	58.5 Å²	58.5	80%	0.804	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	5.8	178.8	0	0	0	0	0	115.3	Y377	Y377-G379 PolarHBondContact O-N 3.39Å
380	R	91.6	Very high	92.4	Very high	176 Å²	176	57.2 Å²	57.2	66%	0.664	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	148.9	175.4	-63.8	178.5	-178.9	-172.7	-1.1	110.7	Y377 Q378 Y382	Y377-R380 PolarHBondContact N-O 3.35Å; Y377-R380 PolarHBondContact O-N 3.5Å; Q378-R380 PolarHBondContact O-N 3.35Å; R380-Y382 HydrophobicContact CB-CD2 4.37Å; R380-Y382 HydrophobicContact CB-CE2 3.68Å; R380-Y382 WeakPolarHBondContact O-CD2 2.76Å
381	S	93.9	Very high	92	Very high	54 Å²	54	61.2 Å²	61.2	38%	0.378	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	130.2	175.7	-54.2	0	0	0	0	110.9	Y423	S381-Y423 WeakPolarHBondContact O-CB 3.38Å; S381-Y423 PolarHBondContact O-N 2.93Å
382	Y	94.4	Very high	91.7	Very high	41 Å²	41	60.1 Å²	60.1	16%	0.161	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	166.7	175.1	-69.7	-93.9	0	0	0	109.8	I374 E375 Y377 R380 R420 V421 A422	I374-Y382 CarbonylContact C-O 3.55Å; I374-Y382 VanDerWaalsContact CA-O 3.28Å; I374-Y382 WeakPolarHBondContact CA-O 3.17Å; E375-Y382 PolarHBondContact N-O 3.23Å; E375-Y382 PolarHBondContact O-N 3.4Å; Y377-Y382 HydrophobicContact CD1-CE2 4.19Å; R380-Y382 HydrophobicContact CB-CD2 4.37Å; R380-Y382 HydrophobicContact CB-CE2 3.68Å; R380-Y382 WeakPolarHBondContact O-CD2 2.76Å; Y382-R420 HydrophobicContact CD1-CB 4.29Å; Y382-R420 HydrophobicContact CD1-CG 3.83Å; Y382-R420 HydrophobicContact CE1-CG 4.45Å; Y382-R420 HydrophobicContact CG-CB 4.49Å; Y382-R420 HydrophobicContact CG-CG 4.23Å; Y382-V421 CarbonylContact C-O 3.47Å; Y382-V421 VanDerWaalsContact CA-O 3.23Å; Y382-V421 WeakPolarHBondContact CA-O 3.41Å; Y382-V421 WeakPolarHBondContact CB-O 2.91Å; Y382-V421 WeakPolarHBondContact CD1-O 3.4Å; Y382-A422 HydrophobicContact CD1-CB 4.48Å; Y382-A422 HydrophobicContact CE1-CB 4.35Å
383	K	95.2	Very high	91.7	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.017	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.8	165	-60.6	-168.5	71.5	168.2	0	110.8	T367 S370 G372 E373 I374 R420 V421 Y423	T367-K383 VanDerWaalsContact O-CD 3.29Å; T367-K383 WeakPolarHBondContact O-CD 3.24Å; T367-K383 PolarHBondContact O-NZ 2.94Å; S370-K383 PolarHBondContact O-NZ 2.84Å; S370-K383 VanDerWaalsContact OG-CE 3.24Å; S370-K383 WeakPolarHBondContact OG-CE 3.33Å; S370-K383 PolarHBondContact OG-NZ 3.46Å; G372-K383 WeakPolarHBondContact O-CE 3.44Å; G372-K383 PolarHBondContact O-NZ 3.38Å; E373-K383 WeakPolarHBondContact O-CA 3.48Å; I374-K383 HydrophobicContact CG1-CD 4.37Å; I374-K383 HydrophobicContact CG1-CG 4.16Å; K383-R420 WeakPolarHBondContact O-CA 3.41Å; K383-V421 HydrophobicContact CB-CG2 4.38Å; K383-V421 PolarHBondContact N-O 2.96Å; K383-V421 PolarHBondContact O-N 3.05Å; K383-Y423 HydrophobicContact CD-CD2 4.16Å; K383-Y423 HydrophobicContact CG-CD2 4.32Å
384	S	94	Very high	91.8	Very high	29 Å²	29	53.1 Å²	53.1	20%	0.203	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	137.4	172.7	57.9	0	0	0	0	110.9	E373	E373-S384 PolarHBondContact N-OG 2.84Å; E373-S384 VanDerWaalsContact N-OG 3.15Å; E373-S384 PolarHBondContact O-N 3.39Å; E373-S384 VanDerWaalsContact O-N 3.14Å
385	Y	93.9	Very high	91.6	Very high	14 Å²	14	52.2 Å²	52.2	6%	0.055	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	122.5	178.3	178	-123.6	0	0	0	109.7	M49 T51 V52 I304 S362 A365 G419 V421	M49-Y385 HydrophobicContact CE-CD2 4.35Å; M49-Y385 HydrophobicContact CE-CE2 3.49Å; M49-Y385 VanDerWaalsContact CE-CE2 3.49Å; M49-Y385 HydrophobicContact SD-CE2 4.15Å; T51-Y385 WeakPolarHBondContact OG1-CD2 3.49Å; V52-Y385 HydrophobicContact CG2-CD2 4.22Å; V52-Y385 HydrophobicContact CG2-CE2 3.79Å; I304-Y385 HydrophobicContact CB-CE1 4.12Å; I304-Y385 HydrophobicContact CG1-CD1 4.42Å; I304-Y385 HydrophobicContact CG1-CE1 3.63Å; I304-Y385 HydrophobicContact CG2-CD1 3.47Å; I304-Y385 VanDerWaalsContact CG2-CD1 3.47Å; I304-Y385 HydrophobicContact CG2-CE1 3.3Å; I304-Y385 HydrophobicContact CG2-CG 4.48Å; S362-Y385 PolarHBondContact N-OH 3.21Å; S362-Y385 VanDerWaalsContact N-OH 3.15Å; A365-Y385 HydrophobicContact CB-CD2 3.28Å; A365-Y385 HydrophobicContact CB-CE2 3.79Å; A365-Y385 HydrophobicContact CB-CG 3.75Å; Y385-G419 PolarHBondContact N-O 3.4Å; Y385-G419 CarbonylContact O-C 3.44Å; Y385-G419 PolarHBondContact O-N 3.2Å; Y385-V421 HydrophobicContact CD1-CG1 3.79Å; Y385-V421 HydrophobicContact CG-CG1 4.09Å
386	R	93.4	Very high	91.4	Very high	34 Å²	34	55 Å²	55	13%	0.128	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149	-176	62.1	-173.7	174.8	174.3	0.9	111.9	M49 D50 T51 G392 E418	M49-R386 WeakPolarHBondContact CE-O 3.34Å; D50-R386 IonicContact OD1-CZ 2.81Å; D50-R386 IonicContact OD1-NE 3.49Å; D50-R386 PolarHBondContact OD1-NE 3.37Å; D50-R386 IonicContact OD1-NH2 3.24Å; D50-R386 PolarHBondContact OD1-NH2 3.33Å; D50-R386 IonicContact OD2-CZ 3.15Å; D50-R386 IonicContact OD2-NE 3.61Å; D50-R386 PolarHBondContact OD2-NE 3.02Å; D50-R386 IonicContact OD2-NH2 3.23Å; D50-R386 PolarHBondContact OD2-NH2 3.41Å; T51-R386 HydrophobicContact CG2-CG 3.83Å; T51-R386 PolarHBondContact OG1-N 3.24Å; R386-G392 PolarHBondContact NH1-O 2.87Å; R386-E418 HydrophobicContact CB-CB 4.07Å; R386-E418 HydrophobicContact CB-CG 3.83Å
387	G	91.2	Very high	91.1	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.273	C	S	.	.			trans	-71.6	147.2	172.1	0	0	0	0	0	112.2	G389 S390 A393 I417	G387-G389 PolarHBondContact O-N 3.48Å; G387-G389 VanDerWaalsContact O-N 3.08Å; G387-S390 WeakPolarHBondContact O-CB 3.25Å; G387-S390 PolarHBondContact O-N 2.99Å; G387-S390 PolarHBondContact O-OG 2.91Å; G387-A393 VanDerWaalsContact O-CB 3.27Å; G387-A393 WeakPolarHBondContact O-CB 3.35Å; G387-I417 PolarHBondContact N-O 3.39Å
388	M	92	Very high	91	Very high	7 Å²	7	45 Å²	45	3%	0.034	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.7	173.2	-59.7	-51.8	-62.7	0	0	112.8	M49 N73 S398 Y402	M49-M388 HydrophobicContact CB-CG 4.45Å; M49-M388 HydrophobicContact CB-SD 3.89Å; M49-M388 HydrophobicContact CG-CG 3.91Å; M49-M388 HydrophobicContact CG-SD 4.02Å; N73-M388 HydrophobicContact CB-CE 4.44Å; N73-M388 VanDerWaalsContact CG-CE 3.46Å; N73-M388 VanDerWaalsContact ND2-CE 3.27Å; N73-M388 WeakPolarHBondContact ND2-CE 3.33Å; N73-M388 WeakPolarHBondContact OD1-CE 3.47Å; M388-S398 WeakPolarHBondContact O-CB 3.45Å; M388-S398 PolarHBondContact O-OG 2.88Å; M388-Y402 VanDerWaalsContact C-CE2 3.43Å; M388-Y402 HydrophobicContact CB-CE2 4.34Å; M388-Y402 WeakPolarHBondContact O-CE2 3.35Å
389	G	89.6	Confident	90.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	7.6	172.7	0	0	0	0	0	114.1	G387 M394 Y402 P414 E415 G416	G387-G389 PolarHBondContact O-N 3.48Å; G387-G389 VanDerWaalsContact O-N 3.08Å; G389-M394 VanDerWaalsContact O-SD 3.42Å; G389-Y402 WeakPolarHBondContact CA-OH 3.47Å; G389-Y402 PolarHBondContact N-OH 3.33Å; G389-Y402 VanDerWaalsContact N-OH 3.08Å; G389-P414 CarbonylContact O-C 3.38Å; G389-P414 WeakPolarHBondContact O-CA 3.12Å; G389-P414 WeakPolarHBondContact O-CB 3.4Å; G389-E415 PolarHBondContact O-N 3.01Å; G389-G416 PolarHBondContact O-N 3.24Å
390	S	91.9	Very high	90.6	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	20%	0.195	C	C	.	.	S	Bend	trans	-75.6	155.9	171.3	84	0	0	0	0	110.6	G387 G392 A393 M394 G416 E418	G387-S390 WeakPolarHBondContact O-CB 3.25Å; G387-S390 PolarHBondContact O-N 2.99Å; G387-S390 PolarHBondContact O-OG 2.91Å; S390-G392 VanDerWaalsContact C-N 3.31Å; S390-G392 PolarHBondContact O-N 2.86Å; S390-A393 PolarHBondContact O-N 3.28Å; S390-A393 VanDerWaalsContact O-N 3.17Å; S390-A393 PolarHBondContact OG-N 3.47Å; S390-M394 WeakPolarHBondContact O-CB 3.4Å; S390-M394 VanDerWaalsContact O-CG 3.27Å; S390-M394 WeakPolarHBondContact O-CG 3.33Å; S390-M394 PolarHBondContact O-N 2.89Å; S390-G416 WeakPolarHBondContact CA-O 3.47Å; S390-E418 VanDerWaalsContact CB-CG 3.5Å; S390-E418 WeakPolarHBondContact CB-OE1 3.18Å; S390-E418 WeakPolarHBondContact OG-CG 3.49Å; S390-E418 PolarHBondContact OG-OE1 2.9Å
391	L	90.9	Very high	90.4	Very high	89 Å²	89	29.3 Å²	29.3	47%	0.466	17%	0.169	S	C	.	.	H	α-helix	trans	-56	-44.2	176.8	-68.8	173.5	0	0	0	112.4	A393 M394 S395 L412 P414	L391-A393 VanDerWaalsContact C-N 3.32Å; L391-A393 PolarHBondContact O-N 3.47Å; L391-M394 PolarHBondContact O-N 3.37Å; L391-S395 VanDerWaalsContact O-CB 3.3Å; L391-S395 WeakPolarHBondContact O-CB 3.35Å; L391-S395 PolarHBondContact O-N 3.44Å; L391-S395 PolarHBondContact O-OG 3.16Å; L391-L412 HydrophobicContact CD2-CB 3.7Å; L391-P414 HydrophobicContact CD2-CB 4.27Å; L391-P414 HydrophobicContact CD2-CG 4.19Å; L391-P414 HydrophobicContact CG-CB 4.12Å; L391-P414 HydrophobicContact CG-CG 4.04Å
392	G	90.1	Very high	90.1	Very high	17 Å²	17	27.7 Å²	27.7	18%	0.175	15%	0.154	C	C	.	.	H	α-helix	trans	-70.4	-23.6	-179.7	0	0	0	0	0	114.4	R386 S390 S395 E418	R386-G392 PolarHBondContact NH1-O 2.87Å; S390-G392 VanDerWaalsContact C-N 3.31Å; S390-G392 PolarHBondContact O-N 2.86Å; G392-S395 WeakPolarHBondContact CA-OG 3.34Å; G392-S395 PolarHBondContact O-OG 2.71Å; G392-E418 WeakPolarHBondContact CA-OE1 3.44Å; G392-E418 PolarHBondContact N-OE1 3.03Å
393	A	89.3	Confident	89.8	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-83	-45.3	171.5	0	0	0	0	0	111.4	N73 G387 S390 L391 S395 K396 G397 S398	N73-A393 PolarHBondContact ND2-O 2.58Å; G387-A393 VanDerWaalsContact O-CB 3.27Å; G387-A393 WeakPolarHBondContact O-CB 3.35Å; S390-A393 PolarHBondContact O-N 3.28Å; S390-A393 VanDerWaalsContact O-N 3.17Å; S390-A393 PolarHBondContact OG-N 3.47Å; L391-A393 VanDerWaalsContact C-N 3.32Å; L391-A393 PolarHBondContact O-N 3.47Å; A393-S395 VanDerWaalsContact C-N 3.34Å; A393-S395 PolarHBondContact O-N 2.66Å; A393-K396 CarbonylContact O-C 3.57Å; A393-K396 WeakPolarHBondContact O-CA 3.33Å; A393-K396 PolarHBondContact O-N 3.26Å; A393-G397 PolarHBondContact O-N 3.32Å; A393-S398 PolarHBondContact O-OG 3.47Å
394	M	90.1	Very high	89.5	Confident	4 Å²	4	32.2 Å²	32.2	2%	0.02	18%	0.175	C	C	.	.	I	π-helix	trans	-62.6	-41.2	-178.5	-69.8	173.7	75.2	0	0	111.8	G389 S390 L391 K396 G397 S398 Y402 Q404 L412	G389-M394 VanDerWaalsContact O-SD 3.42Å; S390-M394 WeakPolarHBondContact O-CB 3.4Å; S390-M394 VanDerWaalsContact O-CG 3.27Å; S390-M394 WeakPolarHBondContact O-CG 3.33Å; S390-M394 PolarHBondContact O-N 2.89Å; L391-M394 PolarHBondContact O-N 3.37Å; M394-K396 PolarHBondContact O-N 2.87Å; M394-K396 VanDerWaalsContact O-N 3.13Å; M394-G397 PolarHBondContact O-N 2.87Å; M394-S398 WeakPolarHBondContact CA-OG 3.17Å; M394-S398 PolarHBondContact N-OG 3.28Å; M394-Y402 HydrophobicContact CG-CD2 4.48Å; M394-Q404 HydrophobicContact CE-CB 3.9Å; M394-Q404 HydrophobicContact CE-CG 4.32Å; M394-L412 HydrophobicContact CB-CD1 3.84Å; M394-L412 HydrophobicContact CE-CB 4.19Å; M394-L412 HydrophobicContact CE-CD1 4.43Å; M394-L412 HydrophobicContact CE-CD2 3.86Å; M394-L412 HydrophobicContact CE-CG 4.38Å
395	S	87	Confident	88.8	Confident	76 Å²	76	34.1 Å²	34.1	53%	0.531	19%	0.188	S	C	.	.	I	π-helix	trans	-60.7	-16.5	172.9	52.4	0	0	0	0	114.3	L391 G392 A393	L391-S395 VanDerWaalsContact O-CB 3.3Å; L391-S395 WeakPolarHBondContact O-CB 3.35Å; L391-S395 PolarHBondContact O-N 3.44Å; L391-S395 PolarHBondContact O-OG 3.16Å; G392-S395 WeakPolarHBondContact CA-OG 3.34Å; G392-S395 PolarHBondContact O-OG 2.71Å; A393-S395 VanDerWaalsContact C-N 3.34Å; A393-S395 PolarHBondContact O-N 2.66Å
396	K	86.2	Confident	87.9	Confident	127 Å²	127	41.1 Å²	41.1	55%	0.552	23%	0.227	S	C	*	.	I	π-helix	trans	-103.6	7.5	176.1	-67.7	-174.8	-178.3	178.5	0	114	A393 M394	A393-K396 CarbonylContact O-C 3.57Å; A393-K396 WeakPolarHBondContact O-CA 3.33Å; A393-K396 PolarHBondContact O-N 3.26Å; M394-K396 PolarHBondContact O-N 2.87Å; M394-K396 VanDerWaalsContact O-N 3.13Å
397	G	86.5	Confident	86.8	Confident	38 Å²	38	43 Å²	43	39%	0.392	24%	0.24	S	C	.	.	I	π-helix	trans	118.5	11.7	169.5	0	0	0	0	0	116.8	A393 M394	A393-G397 PolarHBondContact O-N 3.32Å; M394-G397 PolarHBondContact O-N 2.87Å
398	S	87.6	Confident	85.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.261	C	S	.	.	I	π-helix	trans	-96.3	7.1	172.5	54.9	0	0	0	0	114.5	N73 M388 A393 M394 D400 R401	N73-S398 WeakPolarHBondContact OD1-CB 3.3Å; N73-S398 PolarHBondContact OD1-N 3.3Å; M388-S398 WeakPolarHBondContact O-CB 3.45Å; M388-S398 PolarHBondContact O-OG 2.88Å; A393-S398 PolarHBondContact O-OG 3.47Å; M394-S398 WeakPolarHBondContact CA-OG 3.17Å; M394-S398 PolarHBondContact N-OG 3.28Å; S398-D400 VanDerWaalsContact C-N 3.29Å; S398-D400 PolarHBondContact O-N 2.87Å; S398-R401 VanDerWaalsContact O-CB 3.26Å; S398-R401 WeakPolarHBondContact O-CB 3.41Å; S398-R401 PolarHBondContact O-N 2.85Å; S398-R401 VanDerWaalsContact O-N 3.16Å
399	S	85.6	Confident	84.6	Confident	23 Å²	23	48.6 Å²	48.6	16%	0.161	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-60.6	-33.6	-179.5	55.9	0	0	0	0	113.5	R401 Y402 F403 Q404	S399-R401 VanDerWaalsContact C-N 3.26Å; S399-R401 PolarHBondContact O-N 3.15Å; S399-Y402 CarbonylContact O-C 3.37Å; S399-Y402 PolarHBondContact O-N 3.14Å; S399-Y402 VanDerWaalsContact O-N 3.12Å; S399-F403 PolarHBondContact O-N 2.92Å; S399-Q404 PolarHBondContact O-N 3.48Å
400	D	87.3	Confident	83.9	Confident	27 Å²	27	55 Å²	55	14%	0.144	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-65.4	-28.5	177.9	72.7	-62.5	0	0	0	112.8	K72 G225 S398 Y402 F403 S405	K72-D400 IonicContact NZ-OD1 3.48Å; K72-D400 PolarHBondContact NZ-OD1 2.96Å; K72-D400 IonicContact NZ-OD2 3.49Å; K72-D400 PolarHBondContact NZ-OD2 2.93Å; G225-D400 WeakPolarHBondContact CA-OD2 3.28Å; S398-D400 VanDerWaalsContact C-N 3.29Å; S398-D400 PolarHBondContact O-N 2.87Å; D400-Y402 PolarHBondContact O-N 3.14Å; D400-Y402 VanDerWaalsContact O-N 3.17Å; D400-F403 PolarHBondContact O-N 2.95Å; D400-F403 VanDerWaalsContact O-N 3.17Å; D400-S405 WeakPolarHBondContact CA-OG 3.49Å; D400-S405 WeakPolarHBondContact CB-OG 3.32Å
401	R	87.9	Confident	83.4	Confident	31 Å²	31	62 Å²	62	12%	0.117	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-59.3	-28.2	174.9	-173.9	179.6	177.8	169.6	2.9	111.8	D248 S250 S398 S399	D248-R401 IonicContact OD1-CZ 2.83Å; D248-R401 IonicContact OD1-NH2 3.6Å; D248-R401 PolarHBondContact OD1-NH2 3.13Å; D248-R401 IonicContact OD2-CZ 2.79Å; D248-R401 IonicContact OD2-NE 2.78Å; D248-R401 IonicContact OD2-NH1 3.69Å; D248-R401 PolarHBondContact OD2-NH1 3.12Å; D248-R401 IonicContact OD2-NH2 3.37Å; D248-R401 PolarHBondContact OD2-NH2 3.34Å; S250-R401 WeakPolarHBondContact CB-O 3.32Å; S250-R401 PolarHBondContact N-O 3.01Å; S250-R401 PolarHBondContact OG-O 3.34Å; S398-R401 VanDerWaalsContact O-CB 3.26Å; S398-R401 WeakPolarHBondContact O-CB 3.41Å; S398-R401 PolarHBondContact O-N 2.85Å; S398-R401 VanDerWaalsContact O-N 3.16Å; S399-R401 VanDerWaalsContact C-N 3.26Å; S399-R401 PolarHBondContact O-N 3.15Å
402	Y	88.3	Confident	83.2	Confident	20 Å²	20	58.6 Å²	58.6	8%	0.078	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-112.4	17.6	-177.4	-60.8	-85.2	0	0	0	112.5	M388 G389 M394 S399 D400 Q404 E415	M388-Y402 VanDerWaalsContact C-CE2 3.43Å; M388-Y402 HydrophobicContact CB-CE2 4.34Å; M388-Y402 WeakPolarHBondContact O-CE2 3.35Å; G389-Y402 WeakPolarHBondContact CA-OH 3.47Å; G389-Y402 PolarHBondContact N-OH 3.33Å; G389-Y402 VanDerWaalsContact N-OH 3.08Å; M394-Y402 HydrophobicContact CG-CD2 4.48Å; S399-Y402 CarbonylContact O-C 3.37Å; S399-Y402 PolarHBondContact O-N 3.14Å; S399-Y402 VanDerWaalsContact O-N 3.12Å; D400-Y402 PolarHBondContact O-N 3.14Å; D400-Y402 VanDerWaalsContact O-N 3.17Å; Y402-Q404 VanDerWaalsContact C-N 3.25Å; Y402-Q404 WeakPolarHBondContact O-CG 3.42Å; Y402-Q404 PolarHBondContact O-N 3.1Å; Y402-E415 HydrophobicContact CD1-CB 3.78Å; Y402-E415 HydrophobicContact CD1-CG 4.08Å; Y402-E415 WeakPolarHBondContact CD1-OE1 3.47Å; Y402-E415 HydrophobicContact CE1-CB 3.61Å; Y402-E415 HydrophobicContact CE1-CG 4.37Å
403	F	87.6	Confident	83.2	Confident	122 Å²	122	61.7 Å²	61.7	54%	0.535	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	33.7	178.1	-48	-83.4	0	0	0	113.8	S250 H251 S399 D400	S250-F403 WeakPolarHBondContact OG-CE2 3.32Å; H251-F403 HydrophobicContact CB-CE2 3.77Å; H251-F403 HydrophobicContact CB-CZ 3.94Å; S399-F403 PolarHBondContact O-N 2.92Å; D400-F403 PolarHBondContact O-N 2.95Å; D400-F403 VanDerWaalsContact O-N 3.17Å
404	Q	88.6	Confident	83.4	Confident	18 Å²	18	63.8 Å²	63.8	8%	0.084	36%	0.363	C	S	.	.			trans	-120.7	27.2	-178.3	-68.4	-174.9	66.3	0	0	112.7	M394 S399 Y402 D406 N407 L412 V413	M394-Q404 HydrophobicContact CE-CB 3.9Å; M394-Q404 HydrophobicContact CE-CG 4.32Å; S399-Q404 PolarHBondContact O-N 3.48Å; Y402-Q404 VanDerWaalsContact C-N 3.25Å; Y402-Q404 WeakPolarHBondContact O-CG 3.42Å; Y402-Q404 PolarHBondContact O-N 3.1Å; Q404-D406 PolarHBondContact O-N 3.12Å; Q404-N407 HydrophobicContact CB-CB 4.38Å; Q404-N407 PolarHBondContact O-N 3.11Å; Q404-N407 PolarHBondContact OE1-ND2 3.27Å; Q404-L412 HydrophobicContact CB-CD2 3.9Å; Q404-V413 PolarHBondContact NE2-O 2.84Å
405	S	79.4	Confident	83.5	Confident	68 Å²	68	64.9 Å²	64.9	48%	0.476	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-33.8	179.4	-60.3	0	0	0	0	113.6	D400	D400-S405 WeakPolarHBondContact CA-OG 3.49Å; D400-S405 WeakPolarHBondContact CB-OG 3.32Å
406	D	75.8	Confident	83.8	Confident	162 Å²	162	61.5 Å²	61.5	87%	0.866	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-2.9	-176	-58.2	-37	0	0	0	113.3	Q404	Q404-D406 PolarHBondContact O-N 3.12Å
407	N	69.9	Low	84.2	Confident	74 Å²	74	59.2 Å²	59.2	40%	0.396	34%	0.338	S	S	.	.	S	Bend	trans	-83.7	136.8	-178.3	-73.3	-6.4	0	0	0	110.8	Q404 L412	Q404-N407 HydrophobicContact CB-CB 4.38Å; Q404-N407 PolarHBondContact O-N 3.11Å; Q404-N407 PolarHBondContact OE1-ND2 3.27Å; N407-L412 HydrophobicContact CB-CD2 3.72Å
408	A	66.2	Low	84.5	Confident	54 Å²	54	62.4 Å²	62.4	45%	0.446	34%	0.343	S	S	.	.			trans	-60.9	148	166.2	0	0	0	0	0	110.4	D410 K411 L412	A408-D410 WeakPolarHBondContact CB-OD1 3.21Å; A408-D410 PolarHBondContact O-N 2.8Å; A408-D410 VanDerWaalsContact O-N 3.09Å; A408-K411 PolarHBondContact O-N 3.05Å; A408-L412 PolarHBondContact O-N 3.41Å
409	A	70.9	Confident	84.8	Confident	69 Å²	69	64.1 Å²	64.1	57%	0.57	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-57.5	-29.6	-172.8	0	0	0	0	0	113.7	K411	A409-K411 VanDerWaalsContact C-N 3.32Å
410	D	75.7	Confident	85.1	Confident	136 Å²	136	68.4 Å²	68.4	73%	0.727	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-78.1	-12.2	177.4	65.9	-39.6	0	0	0	114	A408	A408-D410 WeakPolarHBondContact CB-OD1 3.21Å; A408-D410 PolarHBondContact O-N 2.8Å; A408-D410 VanDerWaalsContact O-N 3.09Å
411	K	80.1	Confident	85.4	Confident	146 Å²	146	67.6 Å²	67.6	64%	0.635	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-110.5	7.3	-179.4	-65.8	-173.3	179.7	179.3	0	113.7	A408 A409	A408-K411 PolarHBondContact O-N 3.05Å; A409-K411 VanDerWaalsContact C-N 3.32Å
412	L	87.5	Confident	85.7	Confident	18 Å²	18	67.4 Å²	67.4	9%	0.094	38%	0.375	C	S	.	.			trans	-66.2	134.8	175.4	-62.4	174.4	0	0	0	110.3	L391 M394 Q404 N407 A408 P414	L391-L412 HydrophobicContact CD2-CB 3.7Å; M394-L412 HydrophobicContact CB-CD1 3.84Å; M394-L412 HydrophobicContact CE-CB 4.19Å; M394-L412 HydrophobicContact CE-CD1 4.43Å; M394-L412 HydrophobicContact CE-CD2 3.86Å; M394-L412 HydrophobicContact CE-CG 4.38Å; Q404-L412 HydrophobicContact CB-CD2 3.9Å; N407-L412 HydrophobicContact CB-CD2 3.72Å; A408-L412 PolarHBondContact O-N 3.41Å; L412-P414 WeakPolarHBondContact O-CD 3.28Å
413	V	90.7	Very high	86	Confident	82 Å²	82	70.1 Å²	70.1	50%	0.497	39%	0.385	S	S	.	.			trans	-101.7	100.3	173.5	-177.2	0	0	0	0	107.6	V310 Q404	V310-V413 HydrophobicContact CG1-CG1 4.16Å; Q404-V413 PolarHBondContact NE2-O 2.84Å
414	P	92	Very high	86.3	Confident	45 Å²	45	65.9 Å²	65.9	29%	0.292	37%	0.366	S	S	.	.			trans	-74.5	137.8	-171.9	29.7	-35.4	0	0	0	112.4	G389 L391 L412	G389-P414 CarbonylContact O-C 3.38Å; G389-P414 WeakPolarHBondContact O-CA 3.12Å; G389-P414 WeakPolarHBondContact O-CB 3.4Å; L391-P414 HydrophobicContact CD2-CB 4.27Å; L391-P414 HydrophobicContact CD2-CG 4.19Å; L391-P414 HydrophobicContact CG-CB 4.12Å; L391-P414 HydrophobicContact CG-CG 4.04Å; L412-P414 WeakPolarHBondContact O-CD 3.28Å
415	E	93.4	Very high	86.5	Confident	26 Å²	26	65.9 Å²	65.9	12%	0.121	37%	0.372	C	S	.	.	S	Bend	trans	-108.1	17.8	172.8	-70.7	-173.1	-126	0	0	112.4	T306 T307 T311 G389 Y402	T306-E415 PolarHBondContact N-O 3.41Å; T306-E415 WeakPolarHBondContact OG1-CA 3.29Å; T306-E415 PolarHBondContact OG1-O 2.79Å; T307-E415 VanDerWaalsContact CB-OE2 3.27Å; T307-E415 WeakPolarHBondContact CB-OE2 3.39Å; T307-E415 WeakPolarHBondContact CG2-OE2 3.12Å; T307-E415 PolarHBondContact N-O 2.77Å; T307-E415 PolarHBondContact OG1-OE2 3.14Å; T311-E415 HydrophobicContact CG2-CG 4.38Å; G389-E415 PolarHBondContact O-N 3.01Å; Y402-E415 HydrophobicContact CD1-CB 3.78Å; Y402-E415 HydrophobicContact CD1-CG 4.08Å; Y402-E415 WeakPolarHBondContact CD1-OE1 3.47Å; Y402-E415 HydrophobicContact CE1-CB 3.61Å; Y402-E415 HydrophobicContact CE1-CG 4.37Å
416	G	93.2	Very high	87.4	Confident	6 Å²	6	70.6 Å²	70.6	6%	0.062	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-150.2	166.7	171.7	0	0	0	0	0	112.1	I304 T306 G389 S390	I304-G416 CarbonylContact O-C 3.38Å; I304-G416 WeakPolarHBondContact O-CA 3.33Å; T306-G416 PolarHBondContact OG1-N 3.23Å; G389-G416 PolarHBondContact O-N 3.24Å; S390-G416 WeakPolarHBondContact CA-O 3.47Å
417	I	93.8	Very high	88.4	Confident	79 Å²	79	62.9 Å²	62.9	41%	0.405	34%	0.338	S	S	.	.			trans	-115.9	170.4	177.9	59.8	78.9	0	0	0	111.2	I304 T306 G387	I304-I417 HydrophobicContact CB-CD1 4.06Å; I304-I417 HydrophobicContact CB-CG1 4.43Å; I304-I417 HydrophobicContact CG2-CD1 3.74Å; I304-I417 PolarHBondContact O-N 2.98Å; T306-I417 HydrophobicContact CG2-CG2 3.73Å; G387-I417 PolarHBondContact N-O 3.39Å
418	E	93.8	Very high	89.7	Confident	104 Å²	104	64.3 Å²	64.3	49%	0.486	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	140.1	171.2	-47.7	-162	168.5	0	0	108.7	R386 S390 G392	R386-E418 HydrophobicContact CB-CB 4.07Å; R386-E418 HydrophobicContact CB-CG 3.83Å; S390-E418 VanDerWaalsContact CB-CG 3.5Å; S390-E418 WeakPolarHBondContact CB-OE1 3.18Å; S390-E418 WeakPolarHBondContact OG-CG 3.49Å; S390-E418 PolarHBondContact OG-OE1 2.9Å; G392-E418 WeakPolarHBondContact CA-OE1 3.44Å; G392-E418 PolarHBondContact N-OE1 3.03Å
419	G	92.9	Very high	91.1	Very high	37 Å²	37	66.2 Å²	66.2	38%	0.381	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	-167.5	-179.9	0	0	0	0	0	111.3	Y385	Y385-G419 PolarHBondContact N-O 3.4Å; Y385-G419 CarbonylContact O-C 3.44Å; Y385-G419 PolarHBondContact O-N 3.2Å
420	R	92.3	Very high	92.4	Very high	112 Å²	112	63.8 Å²	63.8	42%	0.423	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145.6	176.1	66.1	-176	62.7	147.1	0.1	109.6	E375 Y377 Y382 K383	E375-R420 IonicContact OE2-NE 3.78Å; E375-R420 IonicContact OE2-NH2 3.94Å; Y377-R420 VanDerWaalsContact CE2-NH1 3.34Å; Y382-R420 HydrophobicContact CD1-CB 4.29Å; Y382-R420 HydrophobicContact CD1-CG 3.83Å; Y382-R420 HydrophobicContact CE1-CG 4.45Å; Y382-R420 HydrophobicContact CG-CB 4.49Å; Y382-R420 HydrophobicContact CG-CG 4.23Å; K383-R420 WeakPolarHBondContact O-CA 3.41Å
421	V	93.4	Very high	93.4	Very high	10 Å²	10	57.5 Å²	57.5	6%	0.061	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	148	173.7	-68.1	0	0	0	0	109	A365 Y382 K383 Y385	A365-V421 HydrophobicContact CB-CG2 3.92Å; Y382-V421 CarbonylContact C-O 3.47Å; Y382-V421 VanDerWaalsContact CA-O 3.23Å; Y382-V421 WeakPolarHBondContact CA-O 3.41Å; Y382-V421 WeakPolarHBondContact CB-O 2.91Å; Y382-V421 WeakPolarHBondContact CD1-O 3.4Å; K383-V421 HydrophobicContact CB-CG2 4.38Å; K383-V421 PolarHBondContact N-O 2.96Å; K383-V421 PolarHBondContact O-N 3.05Å; Y385-V421 HydrophobicContact CD1-CG1 3.79Å; Y385-V421 HydrophobicContact CG-CG1 4.09Å
422	A	93.8	Very high	94.2	Very high	28 Å²	28	56.9 Å²	56.9	23%	0.231	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	144.8	176.9	0	0	0	0	0	110.4	Y382 K424	Y382-A422 HydrophobicContact CD1-CB 4.48Å; Y382-A422 HydrophobicContact CE1-CB 4.35Å; A422-K424 WeakPolarHBondContact O-CG 3.43Å; A422-K424 PolarHBondContact O-N 3.47Å
423	Y	94.3	Very high	94.7	Very high	77 Å²	77	58.5 Å²	58.5	30%	0.302	29%	0.29	S	S	.	.			trans	-64.1	128.2	170.6	176.7	-102.6	0	0	0	109.9	G366 E368 I374 S381 K383	G366-Y423 WeakPolarHBondContact O-CA 3.43Å; E368-Y423 HydrophobicContact CB-CE2 4.21Å; E368-Y423 PolarHBondContact OE2-OH 2.66Å; E368-Y423 VanDerWaalsContact OE2-OH 3.05Å; I374-Y423 HydrophobicContact CD1-CD2 4.49Å; I374-Y423 HydrophobicContact CD1-CE2 4.35Å; S381-Y423 WeakPolarHBondContact O-CB 3.38Å; S381-Y423 PolarHBondContact O-N 2.93Å; K383-Y423 HydrophobicContact CD-CD2 4.16Å; K383-Y423 HydrophobicContact CG-CD2 4.32Å
424	K	93.9	Very high	95.1	Very high	32 Å²	32	55.1 Å²	55.1	14%	0.139	27%	0.269	C	S	.	.			trans	-106.6	-5	-169.6	-66.5	-173.7	169.9	85.5	0	113.4	S362 M363 G366 T367 A422 I430 S488	S362-K424 PolarHBondContact O-NZ 3.3Å; M363-K424 WeakPolarHBondContact O-CD 3.18Å; G366-K424 PolarHBondContact O-N 2.92Å; T367-K424 HydrophobicContact CG2-CB 4.48Å; A422-K424 WeakPolarHBondContact O-CG 3.43Å; A422-K424 PolarHBondContact O-N 3.47Å; K424-I430 HydrophobicContact CB-CD1 3.94Å; K424-I430 HydrophobicContact CB-CG1 4.19Å; K424-S488 PolarHBondContact NZ-OXT 3.12Å; K424-S488 VanDerWaalsContact NZ-OXT 3.15Å
425	G	94.4	Very high	95.4	Very high	19 Å²	19	53.4 Å²	53.4	20%	0.196	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	80.8	-154.1	-172.8	0	0	0	0	0	111.9	T367 E368	T367-G425 CarbonylContact C-O 3.51Å; T367-G425 WeakPolarHBondContact CA-O 3.5Å; T367-G425 WeakPolarHBondContact CB-O 3.45Å; E368-G425 PolarHBondContact N-O 3.21Å
426	R	96.4	Very high	95.6	Very high	166 Å²	166	53.8 Å²	53.8	63%	0.626	27%	0.268	S	S	*	.			trans	-74	145.6	-177.3	-72.9	178.2	-177.2	-174	-0.3	112.1	E368 K428 E429	E368-R426 HydrophobicContact CB-CG 4.44Å; R426-K428 VanDerWaalsContact C-N 3.31Å; R426-K428 PolarHBondContact O-N 3.4Å; R426-E429 WeakPolarHBondContact CB-OE2 3.5Å; R426-E429 PolarHBondContact O-N 3.24Å
427	L	97.6	Very high	95.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.6	-40.9	-178.7	176.5	147.2	0	0	0	112.6	L57 A60 L61 E64 L364 T367 E369 E429 I430 I431	L57-L427 HydrophobicContact CD1-CD1 3.86Å; L57-L427 HydrophobicContact CD2-CD1 4.13Å; L57-L427 HydrophobicContact CG-CD1 3.67Å; A60-L427 HydrophobicContact CB-CD1 4.48Å; A60-L427 HydrophobicContact CB-CD2 4.23Å; L61-L427 HydrophobicContact CB-CD1 4.29Å; L61-L427 HydrophobicContact CB-CD2 4.49Å; E64-L427 HydrophobicContact CG-CD2 4.1Å; L364-L427 HydrophobicContact CD1-CD1 4.42Å; L364-L427 HydrophobicContact CD2-CD1 4.16Å; L364-L427 HydrophobicContact CD2-CG 4.32Å; T367-L427 HydrophobicContact CG2-CB 4.2Å; E369-L427 PolarHBondContact OE1-N 2.96Å; E369-L427 VanDerWaalsContact OE2-CB 3.25Å; E369-L427 WeakPolarHBondContact OE2-CB 3.32Å; E369-L427 PolarHBondContact OE2-N 2.63Å; L427-E429 PolarHBondContact O-N 3.19Å; L427-I430 WeakPolarHBondContact O-CA 3.04Å; L427-I430 WeakPolarHBondContact O-CB 3.27Å; L427-I430 PolarHBondContact O-N 3.42Å; L427-I431 HydrophobicContact CD2-CD1 4.19Å; L427-I431 HydrophobicContact CD2-CG1 3.43Å; L427-I431 VanDerWaalsContact CD2-CG1 3.43Å; L427-I431 HydrophobicContact CG-CD1 4.49Å; L427-I431 HydrophobicContact CG-CG1 4.01Å; L427-I431 WeakPolarHBondContact O-CG1 3.34Å; L427-I431 PolarHBondContact O-N 2.86Å
428	K	96.5	Very high	96.1	Very high	105 Å²	105	50.7 Å²	50.7	46%	0.457	26%	0.256	S	S	.	.	H	α-helix	trans	-52.5	-43.4	-177.8	171.9	-175.2	-178.9	-167.7	0	112.3	E64 R426 I430 I431 H432	E64-K428 HydrophobicContact CG-CB 4.45Å; E64-K428 WeakPolarHBondContact OE1-CG 3.28Å; R426-K428 VanDerWaalsContact C-N 3.31Å; R426-K428 PolarHBondContact O-N 3.4Å; K428-I430 VanDerWaalsContact C-N 3.35Å; K428-I431 PolarHBondContact O-N 3.07Å; K428-H432 WeakPolarHBondContact O-CB 3.39Å; K428-H432 PolarHBondContact O-N 3.23Å
429	E	96.6	Very high	96.3	Very high	93 Å²	93	49 Å²	49	44%	0.435	25%	0.245	S	C	.	.	H	α-helix	trans	-70.3	-35.4	-177.3	-72.8	65.7	-162.2	0	0	110.8	R426 L427 Q433	R426-E429 WeakPolarHBondContact CB-OE2 3.5Å; R426-E429 PolarHBondContact O-N 3.24Å; L427-E429 PolarHBondContact O-N 3.19Å; E429-Q433 WeakPolarHBondContact O-CG 3.45Å; E429-Q433 PolarHBondContact O-N 3.05Å
430	I	97.2	Very high	96.6	Very high	18 Å²	18	50 Å²	50	9%	0.092	25%	0.246	C	C	.	.	H	α-helix	trans	-66	-50.7	172.2	-57.6	-56.1	0	0	0	110.2	M363 L364 T367 K424 L427 K428 H432 Q433 Q434	M363-I430 HydrophobicContact CG-CG2 4.14Å; L364-I430 HydrophobicContact CD2-CG2 4.3Å; T367-I430 HydrophobicContact CG2-CG1 4.08Å; K424-I430 HydrophobicContact CB-CD1 3.94Å; K424-I430 HydrophobicContact CB-CG1 4.19Å; L427-I430 WeakPolarHBondContact O-CA 3.04Å; L427-I430 WeakPolarHBondContact O-CB 3.27Å; L427-I430 PolarHBondContact O-N 3.42Å; K428-I430 VanDerWaalsContact C-N 3.35Å; I430-H432 VanDerWaalsContact C-N 3.29Å; I430-H432 PolarHBondContact O-N 3.49Å; I430-Q433 PolarHBondContact O-N 3.39Å; I430-Q433 VanDerWaalsContact O-N 3.12Å; I430-Q434 HydrophobicContact CG2-CG 4.21Å; I430-Q434 VanDerWaalsContact O-CG 3.28Å; I430-Q434 WeakPolarHBondContact O-CG 3.37Å; I430-Q434 PolarHBondContact O-N 3.12Å
431	I	98	Very high	96.9	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-55.2	-45.7	177.1	-62.2	-58.4	0	0	0	111	I42 M44 L61 E64 L364 L427 K428 Q433 Q434 M435	I42-I431 HydrophobicContact CD1-CD1 4.4Å; I42-I431 HydrophobicContact CD1-CG2 3.56Å; M44-I431 HydrophobicContact CE-CD1 4.22Å; M44-I431 HydrophobicContact SD-CD1 3.17Å; M44-I431 WeakPolarHBondContact SD-CD1 3.28Å; L61-I431 HydrophobicContact CD1-CD1 3.84Å; L61-I431 HydrophobicContact CD1-CG1 4.46Å; E64-I431 HydrophobicContact CB-CG1 4.4Å; E64-I431 HydrophobicContact CB-CG2 4.04Å; E64-I431 HydrophobicContact CG-CG1 4.4Å; L364-I431 HydrophobicContact CD2-CD1 4.35Å; L427-I431 HydrophobicContact CD2-CD1 4.19Å; L427-I431 HydrophobicContact CD2-CG1 3.43Å; L427-I431 VanDerWaalsContact CD2-CG1 3.43Å; L427-I431 HydrophobicContact CG-CD1 4.49Å; L427-I431 HydrophobicContact CG-CG1 4.01Å; L427-I431 WeakPolarHBondContact O-CG1 3.34Å; L427-I431 PolarHBondContact O-N 2.86Å; K428-I431 PolarHBondContact O-N 3.07Å; I431-Q433 VanDerWaalsContact C-N 3.32Å; I431-Q433 PolarHBondContact O-N 3.21Å; I431-Q434 PolarHBondContact O-N 3.21Å; I431-M435 HydrophobicContact CG2-CG 3.89Å; I431-M435 WeakPolarHBondContact O-CB 3.32Å; I431-M435 VanDerWaalsContact O-CG 3.3Å; I431-M435 WeakPolarHBondContact O-CG 3.41Å; I431-M435 PolarHBondContact O-N 2.92Å
432	H	97.2	Very high	97.2	Very high	132 Å²	132	45.1 Å²	45.1	61%	0.611	23%	0.229	S	C	*	.	H	α-helix	trans	-55.7	-46.1	178.1	179.5	79.1	0	0	0	112.1	K428 I430 G436	K428-H432 WeakPolarHBondContact O-CB 3.39Å; K428-H432 PolarHBondContact O-N 3.23Å; I430-H432 VanDerWaalsContact C-N 3.29Å; I430-H432 PolarHBondContact O-N 3.49Å; H432-G436 PolarHBondContact O-N 3.17Å
433	Q	97.8	Very high	97.4	Very high	52 Å²	52	44.2 Å²	44.2	24%	0.243	22%	0.223	C	C	.	.	H	α-helix	trans	-66	-43.1	177.7	-69	-64.9	-44.3	0	0	112.4	E429 I430 I431 G436 G437 P482 N483	E429-Q433 WeakPolarHBondContact O-CG 3.45Å; E429-Q433 PolarHBondContact O-N 3.05Å; I430-Q433 PolarHBondContact O-N 3.39Å; I430-Q433 VanDerWaalsContact O-N 3.12Å; I431-Q433 VanDerWaalsContact C-N 3.32Å; I431-Q433 PolarHBondContact O-N 3.21Å; Q433-G436 PolarHBondContact O-N 2.97Å; Q433-G437 PolarHBondContact O-N 3.35Å; Q433-P482 HydrophobicContact CG-CB 4.05Å; Q433-P482 HydrophobicContact CG-CG 4.23Å; Q433-N483 HydrophobicContact CB-CB 4.47Å
434	Q	98.2	Very high	97.6	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.056	24%	0.235	C	C	.	.	H	α-helix	trans	-66.2	-46.4	-179	-58.7	-36.6	-55.9	0	0	111.9	M44 I347 M363 I430 I431 G436 G437 L438	M44-Q434 HydrophobicContact CE-CB 3.94Å; M44-Q434 HydrophobicContact CE-CG 4.11Å; I347-Q434 HydrophobicContact CD1-CB 3.95Å; I347-Q434 HydrophobicContact CD1-CG 4.38Å; M363-Q434 HydrophobicContact CE-CG 4.23Å; M363-Q434 HydrophobicContact CG-CG 4.48Å; M363-Q434 HydrophobicContact SD-CG 3.56Å; M363-Q434 VanDerWaalsContact SD-CG 3.56Å; I430-Q434 HydrophobicContact CG2-CG 4.21Å; I430-Q434 VanDerWaalsContact O-CG 3.28Å; I430-Q434 WeakPolarHBondContact O-CG 3.37Å; I430-Q434 PolarHBondContact O-N 3.12Å; I431-Q434 PolarHBondContact O-N 3.21Å; Q434-G436 VanDerWaalsContact C-N 3.31Å; Q434-G436 PolarHBondContact O-N 3.33Å; Q434-G437 PolarHBondContact O-N 2.88Å; Q434-L438 PolarHBondContact O-N 2.86Å
435	M	98.4	Very high	97.8	Very high	9 Å²	9	44.6 Å²	44.6	4%	0.044	23%	0.231	C	C	.	.	H	α-helix	trans	-69	-31.1	177.9	-65.3	-57	99.3	0	0	111.8	L30 I42 M44 I347 I431 L438 R439	L30-M435 HydrophobicContact CD1-CB 3.76Å; L30-M435 HydrophobicContact CD1-CG 4.06Å; L30-M435 HydrophobicContact CD1-SD 3.8Å; I42-M435 HydrophobicContact CB-CG 4.34Å; I42-M435 HydrophobicContact CB-SD 3.7Å; I42-M435 HydrophobicContact CD1-CG 4.49Å; I42-M435 HydrophobicContact CG2-CG 3.97Å; I42-M435 HydrophobicContact CG2-SD 3.84Å; M44-M435 HydrophobicContact CE-CE 3.84Å; I347-M435 HydrophobicContact CD1-CE 4.38Å; I431-M435 HydrophobicContact CG2-CG 3.89Å; I431-M435 WeakPolarHBondContact O-CB 3.32Å; I431-M435 VanDerWaalsContact O-CG 3.3Å; I431-M435 WeakPolarHBondContact O-CG 3.41Å; I431-M435 PolarHBondContact O-N 2.92Å; M435-L438 HydrophobicContact CE-CD2 4.34Å; M435-L438 PolarHBondContact O-N 3.46Å; M435-L438 HydrophobicContact SD-CD2 4.32Å; M435-R439 WeakPolarHBondContact O-CB 3.27Å; M435-R439 VanDerWaalsContact O-CG 3.22Å; M435-R439 WeakPolarHBondContact O-CG 3.48Å; M435-R439 PolarHBondContact O-N 2.89Å
436	G	98.3	Very high	98	Very high	34 Å²	34	44.7 Å²	44.7	35%	0.351	23%	0.232	S	C	.	.	H	α-helix	trans	-60.8	-43.9	169.8	0	0	0	0	0	112.5	H432 Q433 Q434 R439 S440	H432-G436 PolarHBondContact O-N 3.17Å; Q433-G436 PolarHBondContact O-N 2.97Å; Q434-G436 VanDerWaalsContact C-N 3.31Å; Q434-G436 PolarHBondContact O-N 3.33Å; G436-R439 PolarHBondContact O-N 3.16Å; G436-S440 WeakPolarHBondContact O-CB 3.37Å; G436-S440 PolarHBondContact O-N 3.41Å
437	G	98.5	Very high	98.1	Very high	20 Å²	20	36.9 Å²	36.9	21%	0.206	20%	0.203	C	C	.	.	H	α-helix	trans	-62.4	-44	174.2	0	0	0	0	0	113	Q433 Q434 S440 C441	Q433-G437 PolarHBondContact O-N 3.35Å; Q434-G437 PolarHBondContact O-N 2.88Å; G437-S440 WeakPolarHBondContact O-CB 3.36Å; G437-S440 PolarHBondContact O-N 2.97Å; G437-C441 PolarHBondContact O-N 3.29Å
438	L	98.7	Very high	98.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-44.8	176.5	-179.1	57.8	0	0	0	112.3	L30 P43 I347 A348 I351 Q434 M435 S440 C441 M442 I450 L453	L30-L438 HydrophobicContact CD2-CD2 3.9Å; L30-L438 HydrophobicContact CD2-CG 4.03Å; P43-L438 HydrophobicContact CG-CD2 3.5Å; P43-L438 VanDerWaalsContact CG-CD2 3.5Å; I347-L438 HydrophobicContact CG2-CD2 4.36Å; A348-L438 HydrophobicContact CB-CD1 3.89Å; I351-L438 HydrophobicContact CD1-CD1 4Å; I351-L438 HydrophobicContact CD1-CD2 3.76Å; Q434-L438 PolarHBondContact O-N 2.86Å; M435-L438 HydrophobicContact CE-CD2 4.34Å; M435-L438 PolarHBondContact O-N 3.46Å; M435-L438 HydrophobicContact SD-CD2 4.32Å; L438-S440 VanDerWaalsContact C-N 3.31Å; L438-S440 PolarHBondContact O-N 2.9Å; L438-C441 WeakPolarHBondContact O-CB 3.47Å; L438-C441 PolarHBondContact O-N 3.4Å; L438-M442 HydrophobicContact CG-SD 4.28Å; L438-M442 WeakPolarHBondContact O-CG 3.47Å; L438-M442 PolarHBondContact O-N 2.96Å; L438-I450 HydrophobicContact CD2-CD1 4.03Å; L438-L453 HydrophobicContact CD1-CD2 3.71Å
439	R	98.7	Very high	98.2	Very high	69 Å²	69	35.1 Å²	35.1	26%	0.26	20%	0.204	S	C	.	.	H	α-helix	trans	-58.1	-42.6	173.7	-77.9	175.5	179	-71.8	-8.2	112.2	P25 A28 L30 M435 G436 C441 M442 G443	P25-R439 WeakPolarHBondContact CA-O 3.22Å; P25-R439 HydrophobicContact CB-CB 4.05Å; P25-R439 WeakPolarHBondContact CB-O 3.35Å; P25-R439 VanDerWaalsContact O-CB 3.27Å; P25-R439 WeakPolarHBondContact O-CB 3.48Å; P25-R439 WeakPolarHBondContact O-CD 3.19Å; P25-R439 VanDerWaalsContact O-CG 3.3Å; P25-R439 WeakPolarHBondContact O-CG 3.47Å; P25-R439 PolarHBondContact O-NH1 2.87Å; P25-R439 VanDerWaalsContact O-NH1 3.16Å; A28-R439 HydrophobicContact CB-CG 4.34Å; A28-R439 PolarHBondContact O-NH1 3.12Å; A28-R439 PolarHBondContact O-NH2 3.45Å; L30-R439 HydrophobicContact CD1-CG 4.06Å; L30-R439 HydrophobicContact CD2-CG 3.95Å; L30-R439 HydrophobicContact CG-CG 4.22Å; M435-R439 WeakPolarHBondContact O-CB 3.27Å; M435-R439 VanDerWaalsContact O-CG 3.22Å; M435-R439 WeakPolarHBondContact O-CG 3.48Å; M435-R439 PolarHBondContact O-N 2.89Å; G436-R439 PolarHBondContact O-N 3.16Å; R439-C441 VanDerWaalsContact C-N 3.35Å; R439-M442 PolarHBondContact O-N 3.32Å; R439-G443 PolarHBondContact O-N 2.92Å
440	S	98.6	Very high	98.3	Very high	58 Å²	58	30.7 Å²	30.7	41%	0.406	18%	0.184	S	C	.	.	H	α-helix	trans	-62.4	-43.5	176.1	-169.3	0	0	0	0	111.3	G436 G437 L438 G443 L444	G436-S440 WeakPolarHBondContact O-CB 3.37Å; G436-S440 PolarHBondContact O-N 3.41Å; G437-S440 WeakPolarHBondContact O-CB 3.36Å; G437-S440 PolarHBondContact O-N 2.97Å; L438-S440 VanDerWaalsContact C-N 3.31Å; L438-S440 PolarHBondContact O-N 2.9Å; S440-G443 PolarHBondContact O-N 3.39Å; S440-L444 WeakPolarHBondContact O-CG 3.38Å; S440-L444 PolarHBondContact O-N 3.48Å; S440-L444 VanDerWaalsContact O-N 3.08Å
441	C	98.7	Very high	98.4	Very high	18 Å²	18	34.7 Å²	34.7	12%	0.122	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-48.8	175.2	-176.7	0	0	0	0	111.6	L16 A348 G437 L438 R439 G443 L444 T445	L16-C441 WeakPolarHBondContact CD1-SG 3.47Å; A348-C441 HydrophobicContact CB-CB 3.83Å; G437-C441 PolarHBondContact O-N 3.29Å; L438-C441 WeakPolarHBondContact O-CB 3.47Å; L438-C441 PolarHBondContact O-N 3.4Å; R439-C441 VanDerWaalsContact C-N 3.35Å; C441-G443 PolarHBondContact O-N 2.96Å; C441-L444 CarbonylContact O-C 3.48Å; C441-L444 WeakPolarHBondContact O-CA 3.3Å; C441-L444 WeakPolarHBondContact O-CB 3.48Å; C441-L444 PolarHBondContact O-N 3.29Å; C441-T445 PolarHBondContact O-N 2.71Å; C441-T445 PolarHBondContact O-OG1 3.21Å
442	M	98.8	Very high	98.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-56.9	-38.5	177.9	-75.7	177	75.5	0	0	112.5	A28 L30 L438 R439 G446 C447 T449 I450 L453	A28-M442 HydrophobicContact CB-CB 4.14Å; A28-M442 HydrophobicContact CB-CE 3.78Å; A28-M442 HydrophobicContact CB-SD 3.99Å; L30-M442 HydrophobicContact CD2-SD 3.64Å; L438-M442 HydrophobicContact CG-SD 4.28Å; L438-M442 WeakPolarHBondContact O-CG 3.47Å; L438-M442 PolarHBondContact O-N 2.96Å; R439-M442 PolarHBondContact O-N 3.32Å; M442-G446 PolarHBondContact O-N 3.03Å; M442-C447 VanDerWaalsContact CB-O 3.32Å; M442-C447 WeakPolarHBondContact CB-O 3.06Å; M442-C447 WeakPolarHBondContact CE-O 3.49Å; M442-C447 PolarHBondContact O-N 3.07Å; M442-T449 VanDerWaalsContact CE-C 3.4Å; M442-I450 HydrophobicContact CE-CD1 4.48Å; M442-I450 HydrophobicContact SD-CD1 4.04Å; M442-L453 HydrophobicContact CG-CD2 4Å
443	G	98.6	Very high	98.5	Very high	10 Å²	10	30.6 Å²	30.6	10%	0.103	19%	0.187	C	C	.	.	H	α-helix	trans	-64	-40.9	171.5	0	0	0	0	0	113.3	S21 V23 R439 S440 C441	S21-G443 WeakPolarHBondContact CB-O 3.43Å; S21-G443 PolarHBondContact OG-O 3.42Å; V23-G443 WeakPolarHBondContact O-CA 3.27Å; R439-G443 PolarHBondContact O-N 2.92Å; S440-G443 PolarHBondContact O-N 3.39Å; C441-G443 PolarHBondContact O-N 2.96Å
444	L	98.6	Very high	98.5	Very high	106 Å²	106	30.5 Å²	30.5	56%	0.555	18%	0.184	S	C	*	.	H	α-helix	trans	-71.9	-31.4	178.3	-70.7	168.1	0	0	0	113.4	P18 A19 S440 C441	P18-L444 WeakPolarHBondContact CA-O 3.33Å; A19-L444 PolarHBondContact N-O 3.17Å; S440-L444 WeakPolarHBondContact O-CG 3.38Å; S440-L444 PolarHBondContact O-N 3.48Å; S440-L444 VanDerWaalsContact O-N 3.08Å; C441-L444 CarbonylContact O-C 3.48Å; C441-L444 WeakPolarHBondContact O-CA 3.3Å; C441-L444 WeakPolarHBondContact O-CB 3.48Å; C441-L444 PolarHBondContact O-N 3.29Å
445	T	98.7	Very high	98.5	Very high	10 Å²	10	34.3 Å²	34.3	6%	0.061	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	3.4	179.3	63.2	0	0	0	0	113	L16 C441 C447 L453	L16-T445 HydrophobicContact CB-CG2 4.33Å; C441-T445 PolarHBondContact O-N 2.71Å; C441-T445 PolarHBondContact O-OG1 3.21Å; T445-C447 PolarHBondContact O-N 3.08Å; T445-C447 PolarHBondContact O-SG 2.93Å; T445-C447 PolarHBondContact OG1-SG 3.13Å; T445-C447 VanDerWaalsContact OG1-SG 3.37Å; T445-L453 HydrophobicContact CG2-CD1 4.5Å
446	G	98.4	Very high	98.5	Very high	22 Å²	22	40.1 Å²	40.1	23%	0.227	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	23.8	179.5	0	0	0	0	0	115	S21 M442	S21-G446 VanDerWaalsContact CB-CA 3.48Å; S21-G446 WeakPolarHBondContact OG-CA 3.41Å; M442-G446 PolarHBondContact O-N 3.03Å
447	C	98.6	Very high	98.5	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.014	22%	0.224	C	C	.	.			trans	-101.6	113.9	-175.7	-63.2	0	0	0	0	110	M442 T445 E452 L453	M442-C447 VanDerWaalsContact CB-O 3.32Å; M442-C447 WeakPolarHBondContact CB-O 3.06Å; M442-C447 WeakPolarHBondContact CE-O 3.49Å; M442-C447 PolarHBondContact O-N 3.07Å; T445-C447 PolarHBondContact O-N 3.08Å; T445-C447 PolarHBondContact O-SG 2.93Å; T445-C447 PolarHBondContact OG1-SG 3.13Å; T445-C447 VanDerWaalsContact OG1-SG 3.37Å; C447-E452 HydrophobicContact CB-CB 3.96Å; C447-L453 HydrophobicContact CB-CB 4.02Å
448	G	98.2	Very high	98.5	Very high	17 Å²	17	45 Å²	45	18%	0.175	25%	0.245	C	C	.	.	S	Bend	trans	-77.6	-24.4	-179.8	0	0	0	0	0	113.6	D29 E452	D29-G448 PolarHBondContact N-O 2.82Å; G448-E452 WeakPolarHBondContact CA-OE2 3.44Å; G448-E452 PolarHBondContact N-OE2 2.72Å
449	T	98.7	Very high	98.5	Very high	50 Å²	50	48.1 Å²	48.1	31%	0.307	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-131.5	163.2	-178.5	71.1	0	0	0	0	111.9	D29 M442 D451 E452 L453	D29-T449 HydrophobicContact CB-CG2 4.41Å; M442-T449 VanDerWaalsContact CE-C 3.4Å; T449-D451 VanDerWaalsContact C-N 3.25Å; T449-D451 PolarHBondContact O-N 3.39Å; T449-D451 PolarHBondContact OG1-N 2.93Å; T449-E452 PolarHBondContact N-OE2 2.8Å; T449-E452 PolarHBondContact O-N 2.75Å; T449-E452 WeakPolarHBondContact OG1-CG 3.32Å; T449-E452 PolarHBondContact OG1-N 3.15Å; T449-L453 PolarHBondContact O-N 2.84Å; T449-L453 VanDerWaalsContact O-N 3.15Å
450	I	98.6	Very high	98.5	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-58.9	-37.4	172.7	-63.1	-58.3	0	0	0	111.8	D29 L30 P43 I351 L438 M442 L453 R454	D29-I450 PolarHBondContact O-N 2.8Å; L30-I450 HydrophobicContact CD2-CD1 4.29Å; L30-I450 WeakPolarHBondContact O-CG1 3.45Å; P43-I450 HydrophobicContact CG-CD1 4.06Å; I351-I450 HydrophobicContact CD1-CD1 4.32Å; I351-I450 HydrophobicContact CG2-CG2 3.84Å; L438-I450 HydrophobicContact CD2-CD1 4.03Å; M442-I450 HydrophobicContact CE-CD1 4.48Å; M442-I450 HydrophobicContact SD-CD1 4.04Å; I450-L453 PolarHBondContact O-N 3.15Å; I450-R454 HydrophobicContact CG2-CG 4.34Å; I450-R454 WeakPolarHBondContact O-CD 3.5Å; I450-R454 VanDerWaalsContact O-CG 3.22Å; I450-R454 WeakPolarHBondContact O-CG 3.48Å; I450-R454 PolarHBondContact O-N 2.65Å
451	D	98.1	Very high	98.4	Very high	102 Å²	102	51.8 Å²	51.8	55%	0.545	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-41.6	178.7	-171	65.1	0	0	0	112.3	T449 R454 T455	T449-D451 VanDerWaalsContact C-N 3.25Å; T449-D451 PolarHBondContact O-N 3.39Å; T449-D451 PolarHBondContact OG1-N 2.93Å; D451-R454 PolarHBondContact O-N 3.21Å; D451-T455 WeakPolarHBondContact O-CG2 3.4Å; D451-T455 PolarHBondContact O-N 3.05Å; D451-T455 PolarHBondContact O-OG1 2.96Å
452	E	98.5	Very high	98.4	Very high	51 Å²	51	52.4 Å²	52.4	24%	0.238	27%	0.273	C	S	.	.	H	α-helix	trans	-64.1	-42.3	174.3	-68.9	-171.7	133.6	0	0	112	C447 G448 T449 R454 T455 K456	C447-E452 HydrophobicContact CB-CB 3.96Å; G448-E452 WeakPolarHBondContact CA-OE2 3.44Å; G448-E452 PolarHBondContact N-OE2 2.72Å; T449-E452 PolarHBondContact N-OE2 2.8Å; T449-E452 PolarHBondContact O-N 2.75Å; T449-E452 WeakPolarHBondContact OG1-CG 3.32Å; T449-E452 PolarHBondContact OG1-N 3.15Å; E452-R454 VanDerWaalsContact C-N 3.28Å; E452-R454 PolarHBondContact O-N 2.75Å; E452-T455 PolarHBondContact O-N 2.89Å; E452-K456 HydrophobicContact CB-CD 4.19Å; E452-K456 HydrophobicContact CG-CD 4.27Å; E452-K456 VanDerWaalsContact O-CB 3.32Å; E452-K456 WeakPolarHBondContact O-CB 3.34Å; E452-K456 PolarHBondContact O-N 2.82Å; E452-K456 IonicContact OE1-NZ 2.79Å; E452-K456 PolarHBondContact OE1-NZ 2.87Å
453	L	98.7	Very high	98.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-39.4	176.9	-179.7	60.7	0	0	0	111.6	I351 A352 L438 M442 T445 C447 T449 I450 A457	I351-L453 HydrophobicContact CB-CD2 4.18Å; I351-L453 HydrophobicContact CG2-CB 4.29Å; I351-L453 HydrophobicContact CG2-CD2 3.73Å; I351-L453 HydrophobicContact CG2-CG 3.97Å; A352-L453 WeakPolarHBondContact CA-O 3.23Å; A352-L453 HydrophobicContact CB-CD1 4.08Å; A352-L453 HydrophobicContact CB-CG 4.26Å; L438-L453 HydrophobicContact CD1-CD2 3.71Å; M442-L453 HydrophobicContact CG-CD2 4Å; T445-L453 HydrophobicContact CG2-CD1 4.5Å; C447-L453 HydrophobicContact CB-CB 4.02Å; T449-L453 PolarHBondContact O-N 2.84Å; T449-L453 VanDerWaalsContact O-N 3.15Å; I450-L453 PolarHBondContact O-N 3.15Å; L453-A457 HydrophobicContact CD1-CB 3.77Å; L453-A457 VanDerWaalsContact O-CB 3.28Å; L453-A457 WeakPolarHBondContact O-CB 3.37Å
454	R	98.2	Very high	98.3	Very high	49 Å²	49	58.2 Å²	58.2	19%	0.185	32%	0.32	C	S	.	.	H	α-helix	trans	-67.8	-30.5	179	-70.5	161.5	52.2	73	15.5	114.4	I351 G354 A355 S356 I450 D451 E452	I351-R454 HydrophobicContact CG2-CG 3.71Å; I351-R454 WeakPolarHBondContact O-CA 3.33Å; I351-R454 VanDerWaalsContact O-CG 3.22Å; I351-R454 WeakPolarHBondContact O-CG 3.44Å; G354-R454 PolarHBondContact O-NH1 3.46Å; G354-R454 PolarHBondContact O-NH2 2.96Å; A355-R454 PolarHBondContact O-NH1 2.67Å; S356-R454 PolarHBondContact OG-NH1 2.85Å; I450-R454 HydrophobicContact CG2-CG 4.34Å; I450-R454 WeakPolarHBondContact O-CD 3.5Å; I450-R454 VanDerWaalsContact O-CG 3.22Å; I450-R454 WeakPolarHBondContact O-CG 3.48Å; I450-R454 PolarHBondContact O-N 2.65Å; D451-R454 PolarHBondContact O-N 3.21Å; E452-R454 VanDerWaalsContact C-N 3.28Å; E452-R454 PolarHBondContact O-N 2.75Å
455	T	97.4	Very high	98.3	Very high	93 Å²	93	56.1 Å²	56.1	57%	0.571	32%	0.318	S	S	*	.	H	α-helix	trans	-114.1	-21.1	-165.3	55.7	0	0	0	0	113.9	D451 E452	D451-T455 WeakPolarHBondContact O-CG2 3.4Å; D451-T455 PolarHBondContact O-N 3.05Å; D451-T455 PolarHBondContact O-OG1 2.96Å; E452-T455 PolarHBondContact O-N 2.89Å
456	K	98.2	Very high	98.2	Very high	130 Å²	130	56.3 Å²	56.3	57%	0.565	32%	0.322	S	S	*	.	H	α-helix	trans	-113.7	-25.4	-175.4	-58.3	179.9	-178.5	175.4	0	114.2	E452	E452-K456 HydrophobicContact CB-CD 4.19Å; E452-K456 HydrophobicContact CG-CD 4.27Å; E452-K456 VanDerWaalsContact O-CB 3.32Å; E452-K456 WeakPolarHBondContact O-CB 3.34Å; E452-K456 PolarHBondContact O-N 2.82Å; E452-K456 IonicContact OE1-NZ 2.79Å; E452-K456 PolarHBondContact OE1-NZ 2.87Å
457	A	98.3	Very high	98.1	Very high	19 Å²	19	56.7 Å²	56.7	16%	0.157	32%	0.319	C	S	.	.			trans	-72.5	140.5	-174.2	0	0	0	0	0	111.4	L16 A352 L453	L16-A457 HydrophobicContact CD2-CB 4.12Å; A352-A457 HydrophobicContact CB-CB 4.1Å; L453-A457 HydrophobicContact CD1-CB 3.77Å; L453-A457 VanDerWaalsContact O-CB 3.28Å; L453-A457 WeakPolarHBondContact O-CB 3.37Å
458	E	98.6	Very high	98	Very high	137 Å²	137	63.3 Å²	63.3	64%	0.64	35%	0.349	S	S	*	.			trans	-108.1	148.9	-177.8	-63.6	-174.1	154	0	0	111.1	L16 V17	L16-E458 WeakPolarHBondContact CA-O 3.21Å; V17-E458 HydrophobicContact CB-CB 4.33Å; V17-E458 HydrophobicContact CG2-CB 4.35Å; V17-E458 PolarHBondContact N-O 3.08Å
459	F	98.7	Very high	98	Very high	66 Å²	66	69.4 Å²	69.4	29%	0.289	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	151	172.6	-70	-81.7	0	0	0	111.4	V14 L15 L16 K349 A352 A353	V14-F459 HydrophobicContact CB-CB 4.43Å; V14-F459 HydrophobicContact CB-CD1 3.84Å; V14-F459 HydrophobicContact CB-CG 4.42Å; V14-F459 HydrophobicContact CG2-CD1 3.75Å; V14-F459 HydrophobicContact CG2-CE1 3.94Å; L15-F459 CarbonylContact O-C 3.58Å; L15-F459 VanDerWaalsContact O-CA 3.27Å; L15-F459 WeakPolarHBondContact O-CA 3.4Å; L16-F459 HydrophobicContact CD2-CD1 3.7Å; L16-F459 HydrophobicContact CD2-CD2 4.39Å; L16-F459 HydrophobicContact CD2-CE1 3.39Å; L16-F459 HydrophobicContact CD2-CE2 4.13Å; L16-F459 HydrophobicContact CD2-CG 4.2Å; L16-F459 HydrophobicContact CD2-CZ 3.63Å; L16-F459 HydrophobicContact CG-CD1 4.1Å; L16-F459 HydrophobicContact CG-CE1 3.73Å; L16-F459 HydrophobicContact CG-CZ 4.35Å; K349-F459 HydrophobicContact CB-CE1 4.02Å; K349-F459 HydrophobicContact CB-CZ 4.37Å; K349-F459 HydrophobicContact CG-CE1 4.04Å; K349-F459 WeakPolarHBondContact O-CZ 2.96Å; A352-F459 HydrophobicContact CB-CE1 4.49Å; A352-F459 HydrophobicContact CB-CE2 3.89Å; A352-F459 HydrophobicContact CB-CZ 3.58Å; A353-F459 HydrophobicContact CB-CE2 4.41Å; A353-F459 HydrophobicContact CB-CZ 4.47Å
460	V	98.5	Very high	97.9	Very high	70 Å²	70	69.7 Å²	69.7	42%	0.424	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136.9	159.7	64	0	0	0	0	109	V14 L15 V17 I462	V14-V460 WeakPolarHBondContact CA-O 3.45Å; L15-V460 HydrophobicContact CB-CG1 4.09Å; L15-V460 PolarHBondContact N-O 3.32Å; L15-V460 PolarHBondContact O-N 2.97Å; V17-V460 HydrophobicContact CG2-CB 4.02Å; V17-V460 HydrophobicContact CG2-CG1 4.23Å; V460-I462 HydrophobicContact CG1-CG2 4.46Å
461	R	98.4	Very high	97.7	Very high	134 Å²	134	72.2 Å²	72.2	51%	0.506	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	136.7	172.5	-176	-179.2	176.1	176.8	3	109.8	E7 D13	E7-R461 IonicContact OE1-CZ 2.85Å; E7-R461 IonicContact OE1-NH1 2.8Å; E7-R461 PolarHBondContact OE1-NH1 2.96Å; E7-R461 IonicContact OE1-NH2 2.74Å; E7-R461 PolarHBondContact OE1-NH2 3Å; E7-R461 IonicContact OE2-CZ 3.21Å; E7-R461 IonicContact OE2-NH1 2.67Å; E7-R461 PolarHBondContact OE2-NH1 2.89Å; E7-R461 IonicContact OE2-NH2 3.71Å; D13-R461 WeakPolarHBondContact O-CA 3.38Å
462	I	98.3	Very high	97.5	Very high	31 Å²	31	70.9 Å²	70.9	16%	0.159	38%	0.384	C	S	.	.			trans	-119	166.8	178.3	64.7	167.6	0	0	0	111.4	D13 L15 V460 I467	D13-I462 PolarHBondContact O-N 3.29Å; L15-I462 HydrophobicContact CD1-CD1 4.28Å; L15-I462 HydrophobicContact CD1-CG2 3.97Å; L15-I462 HydrophobicContact CG-CD1 4.04Å; L15-I462 HydrophobicContact CG-CG2 4.1Å; V460-I462 HydrophobicContact CG1-CG2 4.46Å; I462-I467 HydrophobicContact CD1-CB 4.17Å
463	S	98	Very high	97.3	Very high	79 Å²	79	73.1 Å²	73.1	55%	0.552	40%	0.395	S	S	*	.			trans	-94.1	174.6	172	74.8	0	0	0	0	111.3	A465 G466 I467	S463-A465 PolarHBondContact O-N 3.17Å; S463-A465 VanDerWaalsContact O-N 3.16Å; S463-A465 PolarHBondContact OG-N 3.42Å; S463-G466 WeakPolarHBondContact O-CA 3.49Å; S463-G466 PolarHBondContact O-N 3.16Å; S463-G466 PolarHBondContact OG-N 3.25Å; S463-I467 PolarHBondContact O-N 2.95Å
464	G	97.1	Very high	97.1	Very high	53 Å²	53	80.7 Å²	80.7	55%	0.546	44%	0.435	S	S	.	.	H	α-helix	trans	-58.6	-22.6	170.9	0	0	0	0	0	114.5	I467 Q468	G464-I467 WeakPolarHBondContact O-CG2 3.48Å; G464-Q468 WeakPolarHBondContact O-CG 3.22Å
465	A	97.4	Very high	97	Very high	62 Å²	62	83.1 Å²	83.1	51%	0.512	46%	0.455	S	S	.	.	H	α-helix	trans	-76.8	-35.4	171.8	0	0	0	0	0	111.5	S463 I467 Q468 E469	S463-A465 PolarHBondContact O-N 3.17Å; S463-A465 VanDerWaalsContact O-N 3.16Å; S463-A465 PolarHBondContact OG-N 3.42Å; A465-I467 VanDerWaalsContact C-N 3.31Å; A465-I467 PolarHBondContact O-N 3.14Å; A465-Q468 WeakPolarHBondContact O-CB 3.46Å; A465-Q468 PolarHBondContact O-N 3.23Å; A465-E469 PolarHBondContact O-N 3.3Å
466	G	97.8	Very high	96.7	Very high	14 Å²	14	84.8 Å²	84.8	14%	0.144	47%	0.465	C	S	.	.	H	α-helix	trans	-64	-34.4	176.3	0	0	0	0	0	112.9	S463 E469 S470	S463-G466 WeakPolarHBondContact O-CA 3.49Å; S463-G466 PolarHBondContact O-N 3.16Å; S463-G466 PolarHBondContact OG-N 3.25Å; G466-E469 PolarHBondContact O-N 3.01Å; G466-S470 WeakPolarHBondContact O-CB 3.47Å; G466-S470 PolarHBondContact O-N 2.88Å; G466-S470 PolarHBondContact O-OG 3.22Å
467	I	96.2	Very high	96.4	Very high	30 Å²	30	82.1 Å²	82.1	15%	0.154	46%	0.457	C	S	.	.	H	α-helix	trans	-71.5	-33.3	175.3	-168.4	64.4	0	0	0	111.6	D12 I462 S463 G464 A465 S470 H471	D12-I467 HydrophobicContact CB-CD1 4.04Å; D12-I467 HydrophobicContact CB-CG1 4.06Å; I462-I467 HydrophobicContact CD1-CB 4.17Å; S463-I467 PolarHBondContact O-N 2.95Å; G464-I467 WeakPolarHBondContact O-CG2 3.48Å; A465-I467 VanDerWaalsContact C-N 3.31Å; A465-I467 PolarHBondContact O-N 3.14Å; I467-S470 WeakPolarHBondContact O-CB 3.15Å; I467-S470 PolarHBondContact O-N 3.19Å; I467-H471 PolarHBondContact O-CD2 3.44Å; I467-H471 VanDerWaalsContact O-CD2 3.3Å; I467-H471 PolarHBondContact O-N 2.75Å
468	Q	95.9	Very high	96.1	Very high	141 Å²	141	88.1 Å²	88.1	66%	0.659	49%	0.492	S	S	*	.	H	α-helix	trans	-64.9	-42.7	173.1	-70.2	177.9	5.4	0	0	111.3	G464 A465 S470 H471	G464-Q468 WeakPolarHBondContact O-CG 3.22Å; A465-Q468 WeakPolarHBondContact O-CB 3.46Å; A465-Q468 PolarHBondContact O-N 3.23Å; Q468-S470 VanDerWaalsContact C-N 3.29Å; Q468-S470 PolarHBondContact O-N 3.5Å; Q468-H471 PolarHBondContact O-N 3.19Å
469	E	97.4	Very high	95.7	Very high	145 Å²	145	90.3 Å²	90.3	68%	0.678	50%	0.499	S	S	*	.	H	α-helix	trans	-62.6	-34.7	172.4	-176.2	-175.7	-103.7	0	0	112.2	A465 G466 H471 H473	A465-E469 PolarHBondContact O-N 3.3Å; G466-E469 PolarHBondContact O-N 3.01Å; E469-H471 VanDerWaalsContact C-N 3.32Å; E469-H471 PolarHBondContact O-N 3.25Å; E469-H473 PolarHBondContact O-CD2 3.39Å; E469-H473 VanDerWaalsContact O-CD2 3.25Å; E469-H473 PolarHBondContact O-NE2 3.45Å
470	S	96.7	Very high	95.2	Very high	56 Å²	56	92.7 Å²	92.7	39%	0.392	51%	0.511	S	S	.	.	H	α-helix	trans	-69.1	-29.9	-179.5	-60.9	0	0	0	0	113.4	G466 I467 Q468	G466-S470 WeakPolarHBondContact O-CB 3.47Å; G466-S470 PolarHBondContact O-N 2.88Å; G466-S470 PolarHBondContact O-OG 3.22Å; I467-S470 WeakPolarHBondContact O-CB 3.15Å; I467-S470 PolarHBondContact O-N 3.19Å; Q468-S470 VanDerWaalsContact C-N 3.29Å; Q468-S470 PolarHBondContact O-N 3.5Å
471	H	95.9	Very high	94.8	Very high	54 Å²	54	92.2 Å²	92.2	25%	0.25	51%	0.511	C	S	.	.	S	Bend	trans	-83.8	166.4	176.7	-80.9	-67.7	0	0	0	111.4	I467 Q468 E469 H473 Y484	I467-H471 PolarHBondContact O-CD2 3.44Å; I467-H471 VanDerWaalsContact O-CD2 3.3Å; I467-H471 PolarHBondContact O-N 2.75Å; Q468-H471 PolarHBondContact O-N 3.19Å; E469-H471 VanDerWaalsContact C-N 3.32Å; E469-H471 PolarHBondContact O-N 3.25Å; H471-H473 PolarHBondContact O-CD2 3.25Å; H471-H473 PolarHBondContact O-N 3.17Å; H471-H473 VanDerWaalsContact O-N 3.14Å; H471-Y484 WeakPolarHBondContact CB-OH 3.47Å; H471-Y484 AromaticContact ND1-CE2 3.48Å; H471-Y484 WeakPolarHBondContact ND1-CE2 3.47Å; H471-Y484 AromaticContact ND1-CZ 3.62Å; H471-Y484 PolarHBondContact ND1-OH 2.94Å
472	V	93.9	Very high	94.4	Very high	74 Å²	74	89.3 Å²	89.3	45%	0.448	51%	0.509	S	S	.	.			trans	-61.4	120.2	169.8	177.2	0	0	0	0	109	V475 I477 Y484	V472-V475 HydrophobicContact CG1-CG1 3.48Å; V472-V475 VanDerWaalsContact CG1-CG1 3.48Å; V472-I477 HydrophobicContact CB-CD1 4.4Å; V472-I477 HydrophobicContact CG1-CD1 4.29Å; V472-I477 HydrophobicContact CG1-CG1 4.15Å; V472-Y484 HydrophobicContact CB-CE1 4.2Å; V472-Y484 HydrophobicContact CG2-CD1 4.34Å; V472-Y484 HydrophobicContact CG2-CE1 3.71Å; V472-Y484 PolarHBondContact N-OH 3.36Å
473	H	94.2	Very high	94	Very high	98 Å²	98	91.3 Å²	91.3	45%	0.454	52%	0.52	S	S	.	.			trans	-129.5	159.8	-180	62.3	86.6	0	0	0	111.3	E469 H471 V475	E469-H473 PolarHBondContact O-CD2 3.39Å; E469-H473 VanDerWaalsContact O-CD2 3.25Å; E469-H473 PolarHBondContact O-NE2 3.45Å; H471-H473 PolarHBondContact O-CD2 3.25Å; H471-H473 PolarHBondContact O-N 3.17Å; H471-H473 VanDerWaalsContact O-N 3.14Å; H473-V475 PolarHBondContact O-N 3.44Å; H473-V475 VanDerWaalsContact O-N 3.12Å
474	D	94.2	Very high	93.6	Very high	160 Å²	160	89.8 Å²	89.8	86%	0.856	50%	0.503	S	S	*	.	S	Bend	trans	58.7	20.4	176.5	-54.3	-58.6	0	0	0	117
475	V	95.2	Very high	92.8	Very high	100 Å²	100	91.2 Å²	91.2	61%	0.606	49%	0.491	S	S	*	.	S	Bend	trans	-147.4	152.1	176.7	68.8	0	0	0	0	112.6	V472 H473	V472-V475 HydrophobicContact CG1-CG1 3.48Å; V472-V475 VanDerWaalsContact CG1-CG1 3.48Å; H473-V475 PolarHBondContact O-N 3.44Å; H473-V475 VanDerWaalsContact O-N 3.12Å
476	T	91.5	Very high	91.7	Very high	127 Å²	127	93 Å²	93	78%	0.779	49%	0.492	S	S	*	.			trans	-89.5	118.9	171.9	-55.1	0	0	0	0	110.8	T478	T476-T478 PolarHBondContact O-N 3.39Å
477	I	91.4	Very high	90	Very high	75 Å²	75	96.8 Å²	96.8	39%	0.385	53%	0.531	S	S	.	.			trans	-68.1	122.2	175.3	-62	170.4	0	0	0	109.7	V472 E480 Y484	V472-I477 HydrophobicContact CB-CD1 4.4Å; V472-I477 HydrophobicContact CG1-CD1 4.29Å; V472-I477 HydrophobicContact CG1-CG1 4.15Å; I477-E480 HydrophobicContact CG2-CG 4.38Å; I477-Y484 HydrophobicContact CD1-CE1 4.26Å
478	T	92.3	Very high	87.7	Confident	145 Å²	145	98.4 Å²	98.4	89%	0.89	55%	0.545	S	S	*	.	S	Bend	trans	-96.8	-22.9	177.2	57.4	0	0	0	0	113.2	T476	T476-T478 PolarHBondContact O-N 3.39Å
479	K	90.9	Very high	87.3	Confident	183 Å²	183	96.3 Å²	96.3	80%	0.796	54%	0.539	S	S	*	.	S	Bend	trans	-148.6	125.4	178	-175.2	177.8	-179.4	-179.7	0	109.5
480	E	87.7	Confident	86.7	Confident	115 Å²	115	93.7 Å²	93.7	54%	0.537	53%	0.532	S	S	.	.			trans	-76.7	141.5	178.8	-65.8	-177.3	168.5	0	0	111.9	I477 R485	I477-E480 HydrophobicContact CG2-CG 4.38Å; E480-R485 HydrophobicContact CB-CG 4.47Å
481	S	90.6	Very high	86.2	Confident	61 Å²	61	95.8 Å²	95.8	43%	0.427	54%	0.539	S	S	.	.	B	Isolated β-bridge	trans	-85.3	148.5	172.9	-66.1	0	0	0	0	110.6	N483 Y484	S481-N483 VanDerWaalsContact CB-OD1 3.22Å; S481-N483 WeakPolarHBondContact CB-OD1 3.45Å; S481-N483 PolarHBondContact O-N 3.25Å; S481-Y484 CarbonylContact O-C 3.51Å; S481-Y484 PolarHBondContact O-N 3.14Å; S481-Y484 VanDerWaalsContact O-N 3.14Å; S481-Y484 VanDerWaalsContact O-O 3.12Å
482	P	90	Very high	85.6	Confident	72 Å²	72	98.2 Å²	98.2	47%	0.468	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.9	-20.2	-177	27.2	-36	0	0	0	114.2	Q433	Q433-P482 HydrophobicContact CG-CB 4.05Å; Q433-P482 HydrophobicContact CG-CG 4.23Å
483	N	89.3	Confident	85.1	Confident	73 Å²	73	99.8 Å²	99.8	39%	0.39	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.1	-4.2	176.6	60.9	-17.1	0	0	0	114.2	Q433 S481	Q433-N483 HydrophobicContact CB-CB 4.47Å; S481-N483 VanDerWaalsContact CB-OD1 3.22Å; S481-N483 WeakPolarHBondContact CB-OD1 3.45Å; S481-N483 PolarHBondContact O-N 3.25Å
484	Y	91.2	Very high	84.5	Confident	47 Å²	47	99.9 Å²	99.9	18%	0.184	57%	0.57	C	S	.	*	B	Isolated β-bridge	trans	-142.9	98.3	-176	-171.4	-100.8	0	0	0	110.9	F343 H471 V472 I477 S481 L486	F343-Y484 HydrophobicContact CE1-CD2 4.3Å; H471-Y484 WeakPolarHBondContact CB-OH 3.47Å; H471-Y484 AromaticContact ND1-CE2 3.48Å; H471-Y484 WeakPolarHBondContact ND1-CE2 3.47Å; H471-Y484 AromaticContact ND1-CZ 3.62Å; H471-Y484 PolarHBondContact ND1-OH 2.94Å; V472-Y484 HydrophobicContact CB-CE1 4.2Å; V472-Y484 HydrophobicContact CG2-CD1 4.34Å; V472-Y484 HydrophobicContact CG2-CE1 3.71Å; V472-Y484 PolarHBondContact N-OH 3.36Å; I477-Y484 HydrophobicContact CD1-CE1 4.26Å; S481-Y484 CarbonylContact O-C 3.51Å; S481-Y484 PolarHBondContact O-N 3.14Å; S481-Y484 VanDerWaalsContact O-N 3.14Å; S481-Y484 VanDerWaalsContact O-O 3.12Å; Y484-L486 HydrophobicContact CE1-CD1 4.32Å; Y484-L486 HydrophobicContact CE1-CG 4.18Å
485	R	80.3	Confident	83.8	Confident	83 Å²	83	95.6 Å²	95.6	31%	0.313	55%	0.55	S	S	.	.			trans	-129.7	122.7	174.4	-61.5	-172.7	-172.8	173.1	1.2	109.2	E480	E480-R485 HydrophobicContact CB-CG 4.47Å
486	L	72.6	Confident	82.9	Confident	101 Å²	101	95.2 Å²	95.2	53%	0.529	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	125.7	174.5	-67.3	169.6	0	0	0	108.4	Y484	Y484-L486 HydrophobicContact CE1-CD1 4.32Å; Y484-L486 HydrophobicContact CE1-CG 4.18Å
487	G	62.5	Low	82.2	Confident	92 Å²	92	92.6 Å²	92.6	95%	0.948	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	25.2	175.6	0	0	0	0	0	117
488	S	47.8	Very low	81.4	Confident	64 Å²	64	94.2 Å²	94.2	45%	0.448	54%	0.539	S	S	.	.			trans	-101.5	0	-176.2	68.6	0	0	0	0	117.3	K424	K424-S488 PolarHBondContact NZ-OXT 3.12Å; K424-S488 VanDerWaalsContact NZ-OXT 3.15Å

Retrieved 488 of 488 residues in 176.1 ms (Link to these results)

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