A0A087Y3I0_POEFO Loading...

Alpha-L-iduronidase

AlphaFold DB , UniProt , Accession A0A087Y3I0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 631 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	38.1	Very low	33.8	Very low	235 Å²	235	167.8 Å²	167.8	100%	1.158	84%	0.839	S	S	*	*				0	107.4	0	-89.9	-171.2	-121.2	0	0	105.6
2	W	33.7	Very low	33.6	Very low	248 Å²	248	170.3 Å²	170.3	94%	0.939	83%	0.831	S	S	*	*			cis	-133.2	151.3	30.1	-81.6	9.3	0	0	0	111.8
3	R	33.5	Very low	33.4	Very low	240 Å²	240	166.8 Å²	166.8	91%	0.906	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-81.9	136.9	179.6	-73.8	176.6	169.3	-170.8	-3.6	110.2
4	S	36.2	Very low	33.6	Very low	124 Å²	124	166.4 Å²	166.4	87%	0.867	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-68.8	124.3	160.4	20.1	0	0	0	0	109.8
5	L	32.6	Very low	34	Very low	159 Å²	159	162.9 Å²	162.9	83%	0.832	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-101.2	132.2	168.8	-88.1	155.1	0	0	0	108.3
6	P	35.8	Very low	35.2	Very low	105 Å²	105	159.6 Å²	159.6	68%	0.682	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-80	128.8	170.4	32.1	-27.8	0	0	0	108.8	L8	P6-L8 PolarHBondContact O-N 2.9Å; P6-L8 VanDerWaalsContact O-N 3.12Å
7	F	32.3	Very low	36.8	Very low	210 Å²	210	157.4 Å²	157.4	92%	0.921	80%	0.797	S	S	*	*			trans	-67.1	105.4	164.8	-98.2	-94.7	0	0	0	108.1	A9	F7-A9 PolarHBondContact O-N 3.28Å
8	L	31.6	Very low	38.9	Very low	148 Å²	148	152.7 Å²	152.7	78%	0.775	78%	0.781	S	S	*	*			trans	-69.9	103.8	160.6	-102.3	105.2	0	0	0	107.4	P6 V10	P6-L8 PolarHBondContact O-N 2.9Å; P6-L8 VanDerWaalsContact O-N 3.12Å; L8-V10 PolarHBondContact O-N 3.15Å; L8-V10 VanDerWaalsContact O-N 3.09Å
9	A	32.3	Very low	41.2	Very low	81 Å²	81	145.6 Å²	145.6	67%	0.669	75%	0.75	S	S	*	*			trans	-68.7	99.6	160.8	0	0	0	0	0	107.5	F7 F11	F7-A9 PolarHBondContact O-N 3.28Å; A9-F11 PolarHBondContact O-N 3.44Å
10	V	33	Very low	43.7	Very low	105 Å²	105	141.6 Å²	141.6	64%	0.636	74%	0.739	S	S	*	*			trans	-70.3	99	167.8	176.3	0	0	0	0	106.4	L8 W12	L8-V10 PolarHBondContact O-N 3.15Å; L8-V10 VanDerWaalsContact O-N 3.09Å; V10-W12 PolarHBondContact O-N 3.44Å
11	F	32.4	Very low	46.1	Very low	191 Å²	191	136.4 Å²	136.4	84%	0.838	71%	0.71	S	S	*	*			trans	-64.6	100.3	162.1	-89.4	-90.1	0	0	0	107.2	A9 C13	A9-F11 PolarHBondContact O-N 3.44Å; F11-C13 PolarHBondContact O-N 2.82Å
12	W	31.4	Very low	48.8	Very low	198 Å²	198	127.9 Å²	127.9	75%	0.75	67%	0.669	S	S	*	*			trans	-66.8	93.8	156.5	-85	9.9	0	0	0	106.9	V10 F14	V10-W12 PolarHBondContact O-N 3.44Å; W12-F14 HydrophobicContact CB-CD2 4.33Å; W12-F14 HydrophobicContact CB-CE2 4.28Å; W12-F14 HydrophobicContact CE3-CE1 4.44Å; W12-F14 AromaticContact CE3-CE2 3.7Å; W12-F14 HydrophobicContact CE3-CE2 3.7Å; W12-F14 AromaticContact CE3-CZ 3.55Å; W12-F14 HydrophobicContact CE3-CZ 3.55Å; W12-F14 HydrophobicContact CZ3-CE2 4.47Å; W12-F14 AromaticContact CZ3-CZ 3.93Å; W12-F14 HydrophobicContact CZ3-CZ 3.93Å; W12-F14 PolarHBondContact O-N 3.47Å
13	C	31.1	Very low	51.8	Low	124 Å²	124	116 Å²	116	84%	0.838	62%	0.624	S	S	*	*			trans	-63.5	90.9	156.8	-121.8	0	0	0	0	105.7	F11 C15	F11-C13 PolarHBondContact O-N 2.82Å; C13-C15 VanDerWaalsContact C-N 3.28Å; C13-C15 PolarHBondContact O-N 2.77Å
14	F	36.2	Very low	54.8	Low	162 Å²	162	105.7 Å²	105.7	71%	0.711	59%	0.587	S	S	*	*			trans	-62.4	103.1	159.1	-81.5	-82.2	0	0	0	105.5	W12 E16	W12-F14 HydrophobicContact CB-CD2 4.33Å; W12-F14 HydrophobicContact CB-CE2 4.28Å; W12-F14 HydrophobicContact CE3-CE1 4.44Å; W12-F14 AromaticContact CE3-CE2 3.7Å; W12-F14 HydrophobicContact CE3-CE2 3.7Å; W12-F14 AromaticContact CE3-CZ 3.55Å; W12-F14 HydrophobicContact CE3-CZ 3.55Å; W12-F14 HydrophobicContact CZ3-CE2 4.47Å; W12-F14 AromaticContact CZ3-CZ 3.93Å; W12-F14 HydrophobicContact CZ3-CZ 3.93Å; W12-F14 PolarHBondContact O-N 3.47Å; F14-E16 VanDerWaalsContact C-N 3.32Å; F14-E16 PolarHBondContact O-N 3.33Å
15	C	39.6	Very low	57.8	Low	113 Å²	113	100 Å²	100	76%	0.764	55%	0.547	S	S	*	.			trans	-65.9	101.7	164.9	-144.4	0	0	0	0	104.6	C13 T17	C13-C15 VanDerWaalsContact C-N 3.28Å; C13-C15 PolarHBondContact O-N 2.77Å; C15-T17 PolarHBondContact O-N 2.98Å
16	E	54.2	Low	60.9	Low	111 Å²	111	94.8 Å²	94.8	52%	0.519	52%	0.52	S	S	.	.			trans	-55.8	108	172.4	-80.3	-179.4	-174.7	0	0	107.7	F14 S18 S439	F14-E16 VanDerWaalsContact C-N 3.32Å; F14-E16 PolarHBondContact O-N 3.33Å; E16-S18 PolarHBondContact O-N 2.95Å; E16-S439 VanDerWaalsContact OE2-CB 3.28Å; E16-S439 WeakPolarHBondContact OE2-CB 3.44Å; E16-S439 PolarHBondContact OE2-OG 3.32Å
17	T	62.5	Low	63.8	Low	122 Å²	122	90 Å²	90	75%	0.748	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-72.5	121.4	-176.7	51.3	0	0	0	0	109.3	C15 G19	C15-T17 PolarHBondContact O-N 2.98Å; T17-G19 PolarHBondContact O-N 2.94Å
18	S	74.5	Confident	66.8	Low	72 Å²	72	84.4 Å²	84.4	50%	0.503	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-51.8	132.7	166.7	-72.6	0	0	0	0	110.9	E16 I442	E16-S18 PolarHBondContact O-N 2.95Å; S18-I442 WeakPolarHBondContact CB-O 3.32Å; S18-I442 PolarHBondContact OG-O 3.3Å
19	G	82.3	Confident	69.9	Low	19 Å²	19	81.9 Å²	81.9	20%	0.196	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-90.9	157.4	176.1	0	0	0	0	0	112.8	T17 D443 D444	T17-G19 PolarHBondContact O-N 2.94Å; G19-D443 PolarHBondContact N-OD1 2.93Å; G19-D443 WeakPolarHBondContact O-CA 3.38Å; G19-D444 PolarHBondContact O-N 2.98Å
20	A	90.4	Very high	72.9	Confident	64 Å²	64	82 Å²	82	53%	0.529	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	112.8	170.5	0	0	0	0	0	109.8	N397 D444	A20-N397 PolarHBondContact O-ND2 2.84Å; A20-N397 VanDerWaalsContact O-ND2 3.07Å; A20-D444 CarbonylContact C-O 3.57Å; A20-D444 WeakPolarHBondContact CA-O 3.43Å
21	Y	93.6	Very high	75.9	Confident	33 Å²	33	80.7 Å²	80.7	13%	0.129	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135.7	-175.1	-58.7	-90	0	0	0	111	V395 V406 D443 D444 V445 T446	Y21-V395 HydrophobicContact CD1-CG1 3.88Å; Y21-V406 HydrophobicContact CD1-CB 4.22Å; Y21-V406 HydrophobicContact CD1-CG1 4.47Å; Y21-V406 HydrophobicContact CD2-CB 4.36Å; Y21-V406 HydrophobicContact CD2-CG2 3.9Å; Y21-V406 HydrophobicContact CE1-CB 4.2Å; Y21-V406 HydrophobicContact CE1-CG2 4.37Å; Y21-V406 HydrophobicContact CE2-CB 4.35Å; Y21-V406 HydrophobicContact CE2-CG2 3.68Å; Y21-V406 HydrophobicContact CG-CB 4.29Å; Y21-V406 HydrophobicContact CG-CG1 4.26Å; Y21-V406 HydrophobicContact CG-CG2 4.34Å; Y21-D443 HydrophobicContact CD2-CB 4.11Å; Y21-D443 HydrophobicContact CE2-CB 3.92Å; Y21-D444 PolarHBondContact N-O 3.4Å; Y21-V445 HydrophobicContact CD2-CG2 4.37Å; Y21-V445 WeakPolarHBondContact O-CA 3.37Å; Y21-T446 PolarHBondContact O-N 3.33Å
22	I	95.5	Very high	78.8	Confident	56 Å²	56	75.5 Å²	75.5	29%	0.287	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.4	168.7	-58.4	174.1	0	0	0	107.1	T24 L396	I22-T24 HydrophobicContact CG2-CG2 4.36Å; I22-L396 HydrophobicContact CG2-CD1 4.13Å; I22-L396 PolarHBondContact O-N 3Å
23	I	96.8	Very high	81.8	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.4	178.3	-61.4	179.8	0	0	0	107.7	V25 Q394 V395 V406 V408 V430 V445 T446 V447 E448	I23-V25 HydrophobicContact CG2-CG2 4.19Å; I23-Q394 CarbonylContact C-O 3.55Å; I23-Q394 VanDerWaalsContact CA-O 3.28Å; I23-Q394 WeakPolarHBondContact CA-O 3.42Å; I23-V395 HydrophobicContact CG1-CG2 4.24Å; I23-V406 HydrophobicContact CD1-CG1 4.31Å; I23-V408 HydrophobicContact CD1-CB 4.36Å; I23-V408 HydrophobicContact CG2-CB 3.95Å; I23-V408 HydrophobicContact CG2-CG1 3.74Å; I23-V408 HydrophobicContact CG2-CG2 3.93Å; I23-V430 HydrophobicContact CD1-CB 4.35Å; I23-V430 HydrophobicContact CD1-CG1 3.54Å; I23-V430 HydrophobicContact CD1-CG2 3.79Å; I23-V445 HydrophobicContact CD1-CG1 3.55Å; I23-V445 HydrophobicContact CG1-CG1 4.07Å; I23-T446 PolarHBondContact N-O 3.13Å; I23-V447 HydrophobicContact CB-CG2 4.42Å; I23-V447 CarbonylContact O-C 3.56Å; I23-V447 WeakPolarHBondContact O-CA 3.16Å; I23-E448 PolarHBondContact O-N 3.13Å
24	T	97.3	Very high	84.8	Confident	23 Å²	23	66.1 Å²	66.1	14%	0.141	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.4	173.9	55.1	0	0	0	0	109.8	I22 A393 Q394 L396 E448	I22-T24 HydrophobicContact CG2-CG2 4.36Å; T24-A393 CarbonylContact O-C 3.3Å; T24-A393 VanDerWaalsContact O-CA 3.24Å; T24-A393 WeakPolarHBondContact O-CA 3.32Å; T24-Q394 PolarHBondContact N-O 3.33Å; T24-Q394 PolarHBondContact O-N 2.8Å; T24-L396 HydrophobicContact CG2-CD1 3.72Å; T24-L396 HydrophobicContact CG2-CG 4.39Å; T24-E448 CarbonylContact C-O 3.52Å; T24-E448 WeakPolarHBondContact CA-O 3.29Å; T24-E448 HydrophobicContact CG2-CB 4.34Å
25	V	98.1	Very high	87.6	Confident	3 Å²	3	65.8 Å²	65.8	2%	0.018	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	128.7	175.5	-178	0	0	0	0	109	I23 V391 L392 A393 V408 A410 V428 E448 L449 K450	I23-V25 HydrophobicContact CG2-CG2 4.19Å; V25-V391 HydrophobicContact CG1-CG2 3.86Å; V25-L392 WeakPolarHBondContact CA-O 3.49Å; V25-A393 HydrophobicContact CG2-CB 4.03Å; V25-V408 HydrophobicContact CG2-CG2 4.5Å; V25-A410 HydrophobicContact CG1-CB 3.61Å; V25-A410 HydrophobicContact CG2-CB 4.15Å; V25-V428 HydrophobicContact CB-CG2 4.41Å; V25-V428 HydrophobicContact CG1-CG2 4.1Å; V25-V428 HydrophobicContact CG2-CG1 3.85Å; V25-V428 HydrophobicContact CG2-CG2 4.11Å; V25-E448 PolarHBondContact N-O 2.82Å; V25-L449 HydrophobicContact CB-CD1 3.89Å; V25-L449 HydrophobicContact CG1-CD1 3.69Å; V25-L449 CarbonylContact O-C 3.38Å; V25-L449 WeakPolarHBondContact O-CA 3.49Å; V25-K450 PolarHBondContact O-N 2.65Å
26	D	97.7	Very high	90.3	Very high	50 Å²	50	62.7 Å²	62.7	27%	0.267	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	102.9	175.5	-169.8	-23.1	0	0	0	110.8	K28 Q29 V391 L392	D26-K28 PolarHBondContact O-N 2.7Å; D26-K28 VanDerWaalsContact O-N 3.16Å; D26-K28 WeakPolarHBondContact OD1-CB 3.38Å; D26-K28 PolarHBondContact OD1-N 2.8Å; D26-Q29 HydrophobicContact CB-CB 4.07Å; D26-Q29 PolarHBondContact O-N 3.03Å; D26-Q29 VanDerWaalsContact O-N 3.17Å; D26-V391 WeakPolarHBondContact O-CB 3.43Å; D26-L392 PolarHBondContact N-O 2.91Å
27	A	96.8	Very high	92.4	Very high	6 Å²	6	58 Å²	58	5%	0.05	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-11.8	-178	0	0	0	0	0	114	T412 W424 V426 L449 K450	A27-T412 HydrophobicContact CB-CG2 4.11Å; A27-W424 HydrophobicContact CB-CH2 4.27Å; A27-W424 HydrophobicContact CB-CZ2 3.96Å; A27-V426 HydrophobicContact CB-CG2 4.3Å; A27-L449 HydrophobicContact CB-CD1 4.22Å; A27-K450 WeakPolarHBondContact CB-O 3.27Å; A27-K450 PolarHBondContact N-O 2.77Å
28	K	95.3	Very high	94.1	Very high	91 Å²	91	52.3 Å²	52.3	40%	0.396	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-7.7	176.4	-71.9	-174.8	-176.5	-164.9	0	113.5	D26 P30 G451 E454	D26-K28 PolarHBondContact O-N 2.7Å; D26-K28 VanDerWaalsContact O-N 3.16Å; D26-K28 WeakPolarHBondContact OD1-CB 3.38Å; D26-K28 PolarHBondContact OD1-N 2.8Å; K28-P30 VanDerWaalsContact C-CD 3.4Å; K28-P30 WeakPolarHBondContact O-CD 3.46Å; K28-G451 WeakPolarHBondContact CE-O 3.33Å; K28-E454 WeakPolarHBondContact CE-OE1 3.48Å; K28-E454 IonicContact NZ-OE1 3.18Å; K28-E454 PolarHBondContact NZ-OE1 3Å
29	Q	96.7	Very high	95.3	Very high	95 Å²	95	51 Å²	51	44%	0.444	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	80.7	179.6	-167.1	169.9	3.6	0	0	110.5	D26 E31 V391 L392	D26-Q29 HydrophobicContact CB-CB 4.07Å; D26-Q29 PolarHBondContact O-N 3.03Å; D26-Q29 VanDerWaalsContact O-N 3.17Å; Q29-E31 PolarHBondContact O-N 2.77Å; Q29-V391 WeakPolarHBondContact O-CA 3.33Å; Q29-L392 HydrophobicContact CB-CB 4.11Å; Q29-L392 HydrophobicContact CG-CB 4.13Å; Q29-L392 PolarHBondContact O-N 2.58Å
30	P	96.5	Very high	96.1	Very high	85 Å²	85	50.3 Å²	50.3	55%	0.552	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	135.8	172.8	30.3	-35.5	0	0	0	109.4	K28 T389	K28-P30 VanDerWaalsContact C-CD 3.4Å; K28-P30 WeakPolarHBondContact O-CD 3.46Å; P30-T389 HydrophobicContact CB-CG2 3.6Å
31	E	95.1	Very high	96.5	Very high	76 Å²	76	47.2 Å²	47.2	36%	0.355	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-44.1	175.8	-65.5	-164.2	147.6	0	0	111.8	Q29 Q390 L392	Q29-E31 PolarHBondContact O-N 2.77Å; E31-Q390 PolarHBondContact N-O 3.05Å; E31-L392 HydrophobicContact CG-CB 4.35Å; E31-L392 WeakPolarHBondContact OE1-CD1 3.1Å
32	R	93.6	Very high	96.7	Very high	83 Å²	83	45.7 Å²	45.7	31%	0.313	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	168.3	-171.4	63.8	-156.4	95.1	-150.4	9.3	112.6	A325 Q390	R32-A325 VanDerWaalsContact NH1-C 3.28Å; R32-A325 PolarHBondContact NH1-O 3.21Å; R32-Q390 HydrophobicContact CG-CB 3.97Å; R32-Q390 VanDerWaalsContact NE-OE1 3.14Å; R32-Q390 PolarHBondContact O-N 2.78Å
33	E	94.3	Very high	96.9	Very high	117 Å²	117	43 Å²	43	55%	0.547	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	135.9	165.7	-169	-172.4	167.2	0	0	109.9	R35	E33-R35 HydrophobicContact CG-CG 4.19Å; E33-R35 WeakPolarHBondContact OE1-CG 3.49Å; E33-R35 IonicContact OE1-CZ 3.82Å; E33-R35 IonicContact OE1-NE 4Å; E33-R35 PolarHBondContact OE1-NE 3.1Å; E33-R35 IonicContact OE1-NH2 3.66Å; E33-R35 PolarHBondContact OE1-NH2 3.42Å; E33-R35 IonicContact OE2-CZ 3.75Å; E33-R35 IonicContact OE2-NE 3.41Å; E33-R35 PolarHBondContact OE2-NE 3.33Å; E33-R35 IonicContact OE2-NH2 3.86Å; E33-R35 PolarHBondContact OE2-NH2 2.81Å
34	F	94.9	Very high	97	Very high	7 Å²	7	44.3 Å²	44.3	3%	0.031	21%	0.212	C	C	.	.			trans	-116	105.3	178.7	-168.9	-132.9	0	0	0	109.8	W38 Q320 L386 G387 E388 Q390 L409	F34-W38 AromaticContact CE1-CH2 3.83Å; F34-W38 HydrophobicContact CE1-CH2 3.83Å; F34-W38 HydrophobicContact CE2-CH2 4.23Å; F34-W38 HydrophobicContact CE2-CZ3 4.17Å; F34-W38 AromaticContact CZ-CH2 3.52Å; F34-W38 HydrophobicContact CZ-CH2 3.52Å; F34-W38 AromaticContact CZ-CZ3 3.86Å; F34-W38 HydrophobicContact CZ-CZ3 3.86Å; F34-Q320 HydrophobicContact CD2-CG 4.13Å; F34-Q320 HydrophobicContact CE2-CB 4.31Å; F34-Q320 VanDerWaalsContact CE2-CD 3.46Å; F34-Q320 HydrophobicContact CE2-CG 3.64Å; F34-L386 HydrophobicContact CD1-CB 4.37Å; F34-L386 HydrophobicContact CE1-CB 3.83Å; F34-L386 HydrophobicContact CE1-CD1 3.76Å; F34-L386 HydrophobicContact CE1-CD2 4.48Å; F34-L386 HydrophobicContact CE1-CG 4.21Å; F34-L386 HydrophobicContact CZ-CD1 4.17Å; F34-G387 WeakPolarHBondContact CD1-O 3.29Å; F34-E388 PolarHBondContact N-O 3.28Å; F34-Q390 HydrophobicContact CB-CB 3.95Å; F34-Q390 HydrophobicContact CD2-CB 4.38Å; F34-Q390 HydrophobicContact CG-CB 4.23Å; F34-L409 HydrophobicContact CE2-CD2 4.11Å; F34-L409 HydrophobicContact CZ-CD1 4.42Å; F34-L409 HydrophobicContact CZ-CD2 3.85Å
35	R	93.6	Very high	97	Very high	156 Å²	156	43.3 Å²	43.3	59%	0.589	21%	0.206	S	C	*	.			trans	-97.5	136.1	-177.8	-64.9	-174.8	179.8	169	9.4	110.2	E33 F37	E33-R35 HydrophobicContact CG-CG 4.19Å; E33-R35 WeakPolarHBondContact OE1-CG 3.49Å; E33-R35 IonicContact OE1-CZ 3.82Å; E33-R35 IonicContact OE1-NE 4Å; E33-R35 PolarHBondContact OE1-NE 3.1Å; E33-R35 IonicContact OE1-NH2 3.66Å; E33-R35 PolarHBondContact OE1-NH2 3.42Å; E33-R35 IonicContact OE2-CZ 3.75Å; E33-R35 IonicContact OE2-NE 3.41Å; E33-R35 PolarHBondContact OE2-NE 3.33Å; E33-R35 IonicContact OE2-NH2 3.86Å; E33-R35 PolarHBondContact OE2-NH2 2.81Å; R35-F37 VanDerWaalsContact C-N 3.28Å; R35-F37 VanDerWaalsContact O-CD1 3.27Å; R35-F37 WeakPolarHBondContact O-CD1 3.19Å; R35-F37 PolarHBondContact O-N 3.15Å
36	P	96.5	Very high	97	Very high	48 Å²	48	45.6 Å²	45.6	31%	0.312	22%	0.221	S	C	.	.			trans	-81	74.7	177	34.7	-36.2	0	0	0	111.1	W38 R39	P36-W38 HydrophobicContact CB-CH2 4.08Å; P36-W38 HydrophobicContact CB-CZ2 3.88Å; P36-W38 PolarHBondContact O-N 2.71Å; P36-W38 VanDerWaalsContact O-N 3.14Å; P36-R39 HydrophobicContact CB-CG 3.98Å; P36-R39 HydrophobicContact CG-CG 4.47Å; P36-R39 VanDerWaalsContact CG-CZ 3.45Å; P36-R39 VanDerWaalsContact CG-NE 3.29Å; P36-R39 WeakPolarHBondContact O-CG 3.4Å
37	F	98.4	Very high	97	Very high	13 Å²	13	49.2 Å²	49.2	6%	0.057	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-4.3	-176.7	59.2	-92.8	0	0	0	114.2	R35 I316 H319 L324 Y333 T334 L335 L336	R35-F37 VanDerWaalsContact C-N 3.28Å; R35-F37 VanDerWaalsContact O-CD1 3.27Å; R35-F37 WeakPolarHBondContact O-CD1 3.19Å; R35-F37 PolarHBondContact O-N 3.15Å; F37-I316 HydrophobicContact CZ-CG2 4.01Å; F37-H319 HydrophobicContact CE2-CB 3.83Å; F37-H319 HydrophobicContact CZ-CB 3.77Å; F37-L324 HydrophobicContact CD1-CD1 3.44Å; F37-L324 VanDerWaalsContact CD1-CD1 3.44Å; F37-L324 HydrophobicContact CE1-CD1 3.29Å; F37-L324 HydrophobicContact CG-CD1 4.22Å; F37-L324 HydrophobicContact CZ-CD1 3.95Å; F37-Y333 HydrophobicContact CD2-CD1 4.49Å; F37-Y333 HydrophobicContact CD2-CE1 4.07Å; F37-Y333 HydrophobicContact CE2-CE1 4.36Å; F37-T334 WeakPolarHBondContact CB-O 3.21Å; F37-L335 CarbonylContact O-C 3.56Å; F37-L335 WeakPolarHBondContact O-CA 3.32Å; F37-L336 HydrophobicContact CD2-CB 3.75Å; F37-L336 HydrophobicContact CE2-CB 4.06Å; F37-L336 HydrophobicContact CE2-CD1 4.18Å; F37-L336 PolarHBondContact O-N 2.84Å
38	W	98.8	Very high	97	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.008	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	7	-173.4	58.7	81.7	0	0	0	115.3	F34 P36 S40 I316 L336 L383 L386	F34-W38 AromaticContact CE1-CH2 3.83Å; F34-W38 HydrophobicContact CE1-CH2 3.83Å; F34-W38 HydrophobicContact CE2-CH2 4.23Å; F34-W38 HydrophobicContact CE2-CZ3 4.17Å; F34-W38 AromaticContact CZ-CH2 3.52Å; F34-W38 HydrophobicContact CZ-CH2 3.52Å; F34-W38 AromaticContact CZ-CZ3 3.86Å; F34-W38 HydrophobicContact CZ-CZ3 3.86Å; P36-W38 HydrophobicContact CB-CH2 4.08Å; P36-W38 HydrophobicContact CB-CZ2 3.88Å; P36-W38 PolarHBondContact O-N 2.71Å; P36-W38 VanDerWaalsContact O-N 3.14Å; W38-S40 PolarHBondContact O-N 2.57Å; W38-I316 HydrophobicContact CB-CD1 3.69Å; W38-I316 HydrophobicContact CB-CG1 3.88Å; W38-I316 HydrophobicContact CD2-CD1 3.91Å; W38-I316 HydrophobicContact CD2-CG1 4.31Å; W38-I316 HydrophobicContact CD2-CG2 3.87Å; W38-I316 HydrophobicContact CE3-CD1 4.49Å; W38-I316 HydrophobicContact CE3-CG1 4.44Å; W38-I316 HydrophobicContact CE3-CG2 3.38Å; W38-I316 HydrophobicContact CG-CD1 3.52Å; W38-I316 HydrophobicContact CG-CG1 4.08Å; W38-I316 HydrophobicContact CH2-CG2 4.38Å; W38-I316 HydrophobicContact CZ3-CG2 3.67Å; W38-L336 CarbonylContact C-O 3.52Å; W38-L336 WeakPolarHBondContact CA-O 3.36Å; W38-L383 HydrophobicContact CZ2-CB 4.29Å; W38-L383 HydrophobicContact CZ2-CD2 4.24Å; W38-L386 HydrophobicContact CH2-CD1 4.26Å; W38-L386 HydrophobicContact CZ2-CD1 4.18Å
39	R	98.8	Very high	97.1	Very high	45 Å²	45	48.3 Å²	48.3	17%	0.17	24%	0.242	C	C	.	.			trans	-77.8	43.6	-171.2	-65	178.8	166.8	-170.1	-0.7	113.6	P36 G74 G75 Q77 Q78	P36-R39 HydrophobicContact CB-CG 3.98Å; P36-R39 HydrophobicContact CG-CG 4.47Å; P36-R39 VanDerWaalsContact CG-CZ 3.45Å; P36-R39 VanDerWaalsContact CG-NE 3.29Å; P36-R39 WeakPolarHBondContact O-CG 3.4Å; R39-G74 VanDerWaalsContact CD-O 3.25Å; R39-G74 WeakPolarHBondContact CD-O 3.25Å; R39-G74 PolarHBondContact NE-O 3.29Å; R39-G75 WeakPolarHBondContact CG-O 3.34Å; R39-Q77 HydrophobicContact CB-CG 4.32Å; R39-Q77 PolarHBondContact O-N 2.88Å; R39-Q78 PolarHBondContact O-N 2.99Å; R39-Q78 VanDerWaalsContact O-N 3.13Å
40	S	98.9	Very high	97	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	143.2	-177.2	-176.4	0	0	0	0	111.1	W38 Q78 S337 N338	W38-S40 PolarHBondContact O-N 2.57Å; S40-Q78 PolarHBondContact OG-NE2 3.35Å; S40-Q78 VanDerWaalsContact OG-NE2 3.11Å; S40-S337 VanDerWaalsContact C-OG 3.27Å; S40-S337 WeakPolarHBondContact CB-OG 3.44Å; S40-S337 PolarHBondContact O-OG 2.97Å; S40-S337 VanDerWaalsContact OG-CB 3.28Å; S40-S337 WeakPolarHBondContact OG-CB 3.26Å; S40-S337 PolarHBondContact OG-OG 2.87Å; S40-N338 PolarHBondContact O-N 3.15Å
41	T	98.9	Very high	97.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	179.9	166.9	-170.4	0	0	0	0	109.6	V68 I76 Q78 V79 R80 S337 N338 N340 A341 L355	T41-V68 HydrophobicContact CG2-CG1 3.91Å; T41-I76 HydrophobicContact CG2-CG2 3.88Å; T41-Q78 PolarHBondContact N-O 2.87Å; T41-V79 HydrophobicContact CG2-CG1 4.34Å; T41-V79 HydrophobicContact CG2-CG2 4.04Å; T41-V79 CarbonylContact O-C 3.55Å; T41-V79 WeakPolarHBondContact O-CA 3.23Å; T41-R80 PolarHBondContact O-N 3.28Å; T41-S337 PolarHBondContact N-OG 2.93Å; T41-N338 VanDerWaalsContact CA-O 3.28Å; T41-N338 WeakPolarHBondContact CA-O 3.34Å; T41-N338 PolarHBondContact OG1-O 2.85Å; T41-N340 PolarHBondContact OG1-N 2.84Å; T41-N340 PolarHBondContact OG1-OD1 2.84Å; T41-A341 HydrophobicContact CG2-CB 3.72Å; T41-A341 WeakPolarHBondContact OG1-CB 3.49Å; T41-A341 PolarHBondContact OG1-N 2.99Å; T41-A341 VanDerWaalsContact OG1-N 3.13Å; T41-L355 HydrophobicContact CG2-CD1 4.22Å
42	G	98.9	Very high	97.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	168.8	178	0	0	0	0	0	113.4	R80 D339 N340 A341	G42-R80 CarbonylContact C-O 3.59Å; G42-R80 WeakPolarHBondContact CA-O 3.29Å; G42-D339 WeakPolarHBondContact CA-OD1 3.07Å; G42-D339 VanDerWaalsContact O-OD1 3.07Å; G42-N340 PolarHBondContact O-N 3.06Å; G42-A341 WeakPolarHBondContact O-CA 3.45Å; G42-A341 WeakPolarHBondContact O-CB 2.99Å; G42-A341 PolarHBondContact O-N 3.32Å
43	F	98.9	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	167	171.8	72	-85.4	0	0	0	111.8	F55 D56 V79 R80 I81 H82 D339 A341 F342	F43-F55 AromaticContact CD2-CE1 3.8Å; F43-F55 HydrophobicContact CD2-CE1 3.8Å; F43-F55 HydrophobicContact CE2-CD1 4.15Å; F43-F55 AromaticContact CE2-CE1 3.7Å; F43-F55 HydrophobicContact CE2-CE1 3.7Å; F43-D56 VanDerWaalsContact CE2-OD1 3.24Å; F43-D56 WeakPolarHBondContact CE2-OD1 3.18Å; F43-V79 HydrophobicContact CD1-CG1 3.84Å; F43-V79 HydrophobicContact CE1-CG1 3.82Å; F43-R80 PolarHBondContact N-O 3.4Å; F43-I81 HydrophobicContact CD1-CG1 4.23Å; F43-I81 HydrophobicContact CE1-CB 4.37Å; F43-I81 HydrophobicContact CE1-CD1 3.73Å; F43-I81 HydrophobicContact CE1-CG1 3.56Å; F43-I81 HydrophobicContact CE1-CG2 4.09Å; F43-I81 HydrophobicContact CE2-CG2 3.97Å; F43-I81 HydrophobicContact CZ-CB 4.37Å; F43-I81 HydrophobicContact CZ-CD1 3.94Å; F43-I81 HydrophobicContact CZ-CG1 3.94Å; F43-I81 HydrophobicContact CZ-CG2 3.61Å; F43-H82 PolarHBondContact O-N 2.92Å; F43-D339 PolarHBondContact N-OD1 3.48Å; F43-A341 HydrophobicContact CB-CB 4.35Å; F43-A341 HydrophobicContact CD1-CB 4.12Å; F43-F342 HydrophobicContact CB-CD1 3.98Å; F43-F342 HydrophobicContact CB-CD2 4.44Å; F43-F342 HydrophobicContact CB-CE1 4.19Å; F43-F342 HydrophobicContact CB-CG 4.11Å; F43-F342 HydrophobicContact CB-CZ 4.48Å
44	C	98.8	Very high	97.6	Very high	28 Å²	28	41 Å²	41	19%	0.189	21%	0.209	C	C	.	.			trans	-120.2	129.9	171.6	-178.2	0	0	0	0	110.3	H82 F342	C44-H82 HydrophobicContact CB-CB 4Å; C44-H82 WeakPolarHBondContact CB-CD2 3.31Å; C44-H82 VanDerWaalsContact SG-CD2 3.53Å; C44-F342 HydrophobicContact CB-CE1 3.94Å; C44-F342 HydrophobicContact CB-CZ 4.46Å
45	P	98.3	Very high	97.8	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.013	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-64.8	149.4	171.4	28	-33.7	0	0	0	110.8	A52 F55 H82 W83	P45-A52 HydrophobicContact CB-CB 3.87Å; P45-A52 HydrophobicContact CG-CB 3.76Å; P45-F55 HydrophobicContact CB-CB 4.43Å; P45-F55 HydrophobicContact CB-CD1 3.88Å; P45-F55 HydrophobicContact CB-CG 4.39Å; P45-H82 WeakPolarHBondContact CD-O 3.31Å; P45-W83 HydrophobicContact CG-CB 4.04Å
46	P	98.1	Very high	98	Very high	51 Å²	51	34.3 Å²	34.3	33%	0.331	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-72.9	165.6	179.2	33.2	-36.2	0	0	0	111.9	F55	P46-F55 HydrophobicContact CG-CB 4.37Å; P46-F55 HydrophobicContact CG-CD2 3.79Å; P46-F55 HydrophobicContact CG-CE2 4.3Å; P46-F55 HydrophobicContact CG-CG 4.15Å
47	L	96.9	Very high	98.1	Very high	126 Å²	126	33.4 Å²	33.4	66%	0.66	18%	0.177	S	C	*	.	S	Bend	trans	-63.3	151.4	169	-73.2	172.2	0	0	0	112.4	H49	L47-H49 VanDerWaalsContact CD2-CE1 3.42Å; L47-H49 WeakPolarHBondContact CD2-CE1 3.34Å
48	P	97.1	Very high	98.1	Very high	67 Å²	67	33.9 Å²	33.9	44%	0.435	18%	0.182	S	C	.	.	P	Polyproline II helix	cis	-78.2	136.4	-8.1	31.8	-33.1	0	0	0	111.7	T50 Q51	P48-T50 PolarHBondContact O-N 3.39Å; P48-T50 VanDerWaalsContact O-N 3.16Å; P48-Q51 HydrophobicContact CG-CB 4.24Å; P48-Q51 HydrophobicContact CG-CG 4.11Å; P48-Q51 PolarHBondContact O-N 3.41Å
49	H	97.3	Very high	98.1	Very high	10 Å²	10	37.3 Å²	37.3	5%	0.046	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-62.2	-27.4	-175.9	-55.4	132.5	0	0	0	113.5	L47 Q51 A52 W83 E86 D179	L47-H49 VanDerWaalsContact CD2-CE1 3.42Å; L47-H49 WeakPolarHBondContact CD2-CE1 3.34Å; H49-Q51 PolarHBondContact O-N 2.76Å; H49-A52 WeakPolarHBondContact O-CB 3.12Å; H49-A52 PolarHBondContact O-N 2.89Å; H49-W83 HydrophobicContact CB-CB 4.37Å; H49-W83 HydrophobicContact CB-CD2 3.91Å; H49-W83 HydrophobicContact CB-CE3 4.13Å; H49-W83 HydrophobicContact CB-CG 4.02Å; H49-W83 AromaticContact CD2-CD1 3.44Å; H49-W83 VanDerWaalsContact CD2-CD1 3.44Å; H49-W83 AromaticContact CD2-CE2 3.88Å; H49-W83 AromaticContact CD2-CG 3.87Å; H49-W83 AromaticContact CD2-NE1 3.45Å; H49-W83 PolarHBondContact CD2-NE1 2.89Å; H49-W83 AromaticContact CE1-CE2 3.29Å; H49-W83 AromaticContact CE1-CZ2 3.38Å; H49-W83 WeakPolarHBondContact CE1-CZ2 3.34Å; H49-W83 AromaticContact CE1-NE1 3.21Å; H49-W83 PolarHBondContact CE1-NE1 3.1Å; H49-W83 AromaticContact CG-CD1 3.79Å; H49-W83 AromaticContact CG-CD2 3.67Å; H49-W83 AromaticContact CG-CE2 3.59Å; H49-W83 AromaticContact CG-CG 3.81Å; H49-W83 AromaticContact CG-NE1 3.67Å; H49-W83 AromaticContact ND1-CD2 3.73Å; H49-W83 AromaticContact ND1-CE2 3.22Å; H49-W83 AromaticContact ND1-CH2 3.8Å; H49-W83 AromaticContact ND1-CZ2 3.29Å; H49-W83 VanDerWaalsContact ND1-CZ2 3.29Å; H49-W83 WeakPolarHBondContact ND1-CZ2 3.47Å; H49-W83 AromaticContact ND1-NE1 3.54Å; H49-W83 AromaticContact NE2-CD1 3.64Å; H49-W83 AromaticContact NE2-CE2 3.75Å; H49-W83 AromaticContact NE2-NE1 3.2Å; H49-W83 PolarHBondContact NE2-NE1 3.06Å; H49-W83 VanDerWaalsContact NE2-NE1 3.2Å; H49-E86 HydrophobicContact CB-CG 4.12Å; H49-E86 WeakPolarHBondContact O-CB 3.27Å; H49-D179 IonicContact CE1-OD1 3.12Å; H49-D179 IonicContact CE1-OD2 3.55Å; H49-D179 IonicContact CG-OD2 2.58Å; H49-D179 VanDerWaalsContact ND1-CG 3.32Å; H49-D179 IonicContact ND1-OD1 3.54Å; H49-D179 PolarHBondContact ND1-OD1 3Å; H49-D179 IonicContact ND1-OD2 3.62Å; H49-D179 PolarHBondContact ND1-OD2 2.85Å
50	T	95.4	Very high	98.1	Very high	61 Å²	61	36.2 Å²	36.2	37%	0.374	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-60.9	-9.4	171.9	56.9	0	0	0	0	114.7	P48	P48-T50 PolarHBondContact O-N 3.39Å; P48-T50 VanDerWaalsContact O-N 3.16Å
51	Q	96.6	Very high	98.1	Very high	90 Å²	90	36.1 Å²	36.1	42%	0.421	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-119.6	21.3	173.8	-60.3	-174.1	2.2	0	0	112	P48 H49 D53 Q54	P48-Q51 HydrophobicContact CG-CB 4.24Å; P48-Q51 HydrophobicContact CG-CG 4.11Å; P48-Q51 PolarHBondContact O-N 3.41Å; H49-Q51 PolarHBondContact O-N 2.76Å; Q51-D53 PolarHBondContact O-N 3.06Å; Q51-D53 VanDerWaalsContact O-N 3.07Å; Q51-Q54 HydrophobicContact CB-CG 4.36Å; Q51-Q54 WeakPolarHBondContact O-CB 3.13Å; Q51-Q54 PolarHBondContact O-N 3.47Å; Q51-Q54 VanDerWaalsContact OE1-NE2 3.11Å
52	A	98.1	Very high	98.1	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-52.6	-32.1	179.5	0	0	0	0	0	112.4	P45 H49 Q54 F55 D56 L87	P45-A52 HydrophobicContact CB-CB 3.87Å; P45-A52 HydrophobicContact CG-CB 3.76Å; H49-A52 WeakPolarHBondContact O-CB 3.12Å; H49-A52 PolarHBondContact O-N 2.89Å; A52-Q54 PolarHBondContact O-N 3.29Å; A52-F55 CarbonylContact O-C 3.52Å; A52-F55 WeakPolarHBondContact O-CA 3.35Å; A52-F55 WeakPolarHBondContact O-CB 3.43Å; A52-F55 PolarHBondContact O-N 3.09Å; A52-D56 WeakPolarHBondContact O-CB 3.29Å; A52-D56 PolarHBondContact O-N 3.2Å; A52-L87 HydrophobicContact CB-CD1 3.82Å
53	D	98.1	Very high	98.1	Very high	24 Å²	24	39.6 Å²	39.6	13%	0.128	22%	0.216	C	C	.	.	H	α-helix	trans	-57.8	-32.8	175.9	69.3	-84.2	0	0	0	114.3	Q51 F55 L57 L87 K103	Q51-D53 PolarHBondContact O-N 3.06Å; Q51-D53 VanDerWaalsContact O-N 3.07Å; D53-F55 PolarHBondContact O-N 3.23Å; D53-L57 HydrophobicContact CB-CD1 4.18Å; D53-L57 VanDerWaalsContact O-CB 3.27Å; D53-L57 WeakPolarHBondContact O-CB 3.3Å; D53-L57 PolarHBondContact O-N 2.95Å; D53-L87 HydrophobicContact CB-CG 4.21Å; D53-K103 HydrophobicContact CB-CB 4.27Å; D53-K103 HydrophobicContact CB-CD 3.6Å; D53-K103 HydrophobicContact CB-CG 4.2Å; D53-K103 VanDerWaalsContact CG-CE 3.5Å; D53-K103 IonicContact OD1-NZ 3.33Å; D53-K103 PolarHBondContact OD1-NZ 3.28Å; D53-K103 WeakPolarHBondContact OD2-CE 3.46Å; D53-K103 IonicContact OD2-NZ 2.75Å; D53-K103 PolarHBondContact OD2-NZ 3.25Å
54	Q	98.4	Very high	98.1	Very high	127 Å²	127	39.6 Å²	39.6	59%	0.593	22%	0.216	S	C	*	.	H	α-helix	trans	-66.7	-25	177	-62.6	-177.5	22.9	0	0	111.9	Q51 A52 S58	Q51-Q54 HydrophobicContact CB-CG 4.36Å; Q51-Q54 WeakPolarHBondContact O-CB 3.13Å; Q51-Q54 PolarHBondContact O-N 3.47Å; Q51-Q54 VanDerWaalsContact OE1-NE2 3.11Å; A52-Q54 PolarHBondContact O-N 3.29Å; Q54-S58 WeakPolarHBondContact O-CB 3.31Å
55	F	98.7	Very high	98.1	Very high	22 Å²	22	38.2 Å²	38.2	10%	0.096	21%	0.207	C	C	.	.	H	α-helix	trans	-90.8	-52.6	174.6	-179.3	-91.9	0	0	0	110.9	F43 P45 P46 A52 D53 L57 S58 Q61 L343	F43-F55 AromaticContact CD2-CE1 3.8Å; F43-F55 HydrophobicContact CD2-CE1 3.8Å; F43-F55 HydrophobicContact CE2-CD1 4.15Å; F43-F55 AromaticContact CE2-CE1 3.7Å; F43-F55 HydrophobicContact CE2-CE1 3.7Å; P45-F55 HydrophobicContact CB-CB 4.43Å; P45-F55 HydrophobicContact CB-CD1 3.88Å; P45-F55 HydrophobicContact CB-CG 4.39Å; P46-F55 HydrophobicContact CG-CB 4.37Å; P46-F55 HydrophobicContact CG-CD2 3.79Å; P46-F55 HydrophobicContact CG-CE2 4.3Å; P46-F55 HydrophobicContact CG-CG 4.15Å; A52-F55 CarbonylContact O-C 3.52Å; A52-F55 WeakPolarHBondContact O-CA 3.35Å; A52-F55 WeakPolarHBondContact O-CB 3.43Å; A52-F55 PolarHBondContact O-N 3.09Å; D53-F55 PolarHBondContact O-N 3.23Å; F55-L57 VanDerWaalsContact C-N 3.3Å; F55-L57 PolarHBondContact O-N 2.71Å; F55-S58 VanDerWaalsContact O-CB 3.25Å; F55-S58 WeakPolarHBondContact O-CB 3.21Å; F55-S58 PolarHBondContact O-N 2.87Å; F55-S58 VanDerWaalsContact O-N 3.15Å; F55-S58 PolarHBondContact O-OG 3.06Å; F55-Q61 WeakPolarHBondContact O-CB 3.21Å; F55-L343 HydrophobicContact CE2-CB 4.26Å; F55-L343 HydrophobicContact CE2-CD1 3.78Å; F55-L343 HydrophobicContact CE2-CG 4.5Å; F55-L343 HydrophobicContact CZ-CB 4.09Å; F55-L343 HydrophobicContact CZ-CD1 3.73Å; F55-L343 HydrophobicContact CZ-CG 4.14Å
56	D	98.6	Very high	98.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.8	-31.6	-173.1	-69.9	-16.4	0	0	0	113.3	F43 A52 Q61 L87 L107	F43-D56 VanDerWaalsContact CE2-OD1 3.24Å; F43-D56 WeakPolarHBondContact CE2-OD1 3.18Å; A52-D56 WeakPolarHBondContact O-CB 3.29Å; A52-D56 PolarHBondContact O-N 3.2Å; D56-Q61 WeakPolarHBondContact O-CG 3.46Å; D56-L87 HydrophobicContact CB-CD2 4.32Å; D56-L87 WeakPolarHBondContact OD2-CD1 3.38Å; D56-L107 HydrophobicContact CB-CD1 4.3Å; D56-L107 HydrophobicContact CB-CD2 4.37Å
57	L	98.6	Very high	98.1	Very high	30 Å²	30	36 Å²	36	16%	0.157	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	2.8	179.6	-51.7	176.9	0	0	0	112.7	D53 F55 Q62 K103 E106 L107	D53-L57 HydrophobicContact CB-CD1 4.18Å; D53-L57 VanDerWaalsContact O-CB 3.27Å; D53-L57 WeakPolarHBondContact O-CB 3.3Å; D53-L57 PolarHBondContact O-N 2.95Å; F55-L57 VanDerWaalsContact C-N 3.3Å; F55-L57 PolarHBondContact O-N 2.71Å; L57-Q62 PolarHBondContact O-NE2 2.83Å; L57-Q62 VanDerWaalsContact O-NE2 3.08Å; L57-K103 HydrophobicContact CD1-CB 3.99Å; L57-K103 HydrophobicContact CD1-CG 4.24Å; L57-E106 HydrophobicContact CD1-CB 4.17Å; L57-E106 WeakPolarHBondContact CD1-OE2 3.35Å; L57-E106 HydrophobicContact CD2-CB 3.89Å; L57-L107 HydrophobicContact CD2-CB 3.93Å
58	S	98.6	Very high	98.2	Very high	23 Å²	23	30 Å²	30	16%	0.161	16%	0.16	C	C	.	.	S	Bend	trans	-60.9	156.2	178.3	68.3	0	0	0	0	112.3	Q54 F55 D60 Q61 Q62	Q54-S58 WeakPolarHBondContact O-CB 3.31Å; F55-S58 VanDerWaalsContact O-CB 3.25Å; F55-S58 WeakPolarHBondContact O-CB 3.21Å; F55-S58 PolarHBondContact O-N 2.87Å; F55-S58 VanDerWaalsContact O-N 3.15Å; F55-S58 PolarHBondContact O-OG 3.06Å; S58-D60 PolarHBondContact O-N 3.47Å; S58-Q61 PolarHBondContact O-N 2.89Å; S58-Q61 VanDerWaalsContact O-N 3.08Å; S58-Q61 PolarHBondContact OG-N 2.84Å; S58-Q61 VanDerWaalsContact OG-N 3.12Å; S58-Q62 WeakPolarHBondContact O-CG 3.34Å; S58-Q62 PolarHBondContact O-N 2.86Å
59	T	97.6	Very high	98.3	Very high	74 Å²	74	27.8 Å²	27.8	45%	0.454	15%	0.149	S	C	.	.	H	α-helix	trans	-56.6	-35.9	170.7	-53	0	0	0	0	111.6	Q61 Q62 L63	T59-Q61 VanDerWaalsContact C-N 3.32Å; T59-Q61 PolarHBondContact O-N 2.97Å; T59-Q62 PolarHBondContact O-N 2.91Å; T59-L63 HydrophobicContact CG2-CD1 4.44Å; T59-L63 WeakPolarHBondContact O-CG 2.96Å; T59-L63 PolarHBondContact O-N 3.45Å
60	D	98.7	Very high	98.4	Very high	22 Å²	22	27.3 Å²	27.3	12%	0.118	15%	0.147	C	C	.	.	H	α-helix	trans	-56.9	-47.3	175.5	-56.3	-139.5	0	0	0	110.9	S58 L63 N64 L343 R358 V369	S58-D60 PolarHBondContact O-N 3.47Å; D60-L63 PolarHBondContact O-N 3.29Å; D60-N64 WeakPolarHBondContact O-CB 3.31Å; D60-N64 PolarHBondContact O-N 3.47Å; D60-L343 HydrophobicContact CB-CD1 3.47Å; D60-L343 VanDerWaalsContact CB-CD1 3.47Å; D60-L343 HydrophobicContact CB-CD2 4.42Å; D60-R358 WeakPolarHBondContact OD1-CD 3.27Å; D60-R358 IonicContact OD1-CZ 3.77Å; D60-R358 IonicContact OD1-NE 3.61Å; D60-R358 IonicContact OD1-NH1 2.65Å; D60-R358 PolarHBondContact OD1-NH1 2.88Å; D60-V369 HydrophobicContact CB-CG1 4.42Å; D60-V369 WeakPolarHBondContact OD2-CG2 3.36Å
61	Q	98.8	Very high	98.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-76.2	-32.4	-177.3	-166.5	62.3	3.3	0	0	112.4	F55 D56 S58 T59 L63 N64 L65	F55-Q61 WeakPolarHBondContact O-CB 3.21Å; D56-Q61 WeakPolarHBondContact O-CG 3.46Å; S58-Q61 PolarHBondContact O-N 2.89Å; S58-Q61 VanDerWaalsContact O-N 3.08Å; S58-Q61 PolarHBondContact OG-N 2.84Å; S58-Q61 VanDerWaalsContact OG-N 3.12Å; T59-Q61 VanDerWaalsContact C-N 3.32Å; T59-Q61 PolarHBondContact O-N 2.97Å; Q61-L63 VanDerWaalsContact C-N 3.34Å; Q61-L63 PolarHBondContact O-N 3.08Å; Q61-N64 PolarHBondContact O-N 2.88Å; Q61-N64 PolarHBondContact OE1-ND2 3.45Å; Q61-L65 HydrophobicContact CG-CD1 4.18Å; Q61-L65 HydrophobicContact CG-CG 4.27Å; Q61-L65 WeakPolarHBondContact O-CB 3.36Å; Q61-L65 WeakPolarHBondContact O-CG 3.26Å; Q61-L65 PolarHBondContact O-N 3Å
62	Q	98.8	Very high	98.6	Very high	70 Å²	70	20.3 Å²	20.3	33%	0.327	11%	0.11	S	C	.	.	H	α-helix	trans	-59.3	-44.7	169.5	-68.1	175.4	39.4	0	0	111.7	L57 S58 T59 A66 L110 I546	L57-Q62 PolarHBondContact O-NE2 2.83Å; L57-Q62 VanDerWaalsContact O-NE2 3.08Å; S58-Q62 WeakPolarHBondContact O-CG 3.34Å; S58-Q62 PolarHBondContact O-N 2.86Å; T59-Q62 PolarHBondContact O-N 2.91Å; Q62-A66 WeakPolarHBondContact O-CB 3.36Å; Q62-A66 PolarHBondContact O-N 3.4Å; Q62-L110 HydrophobicContact CB-CD1 4.36Å; Q62-L110 HydrophobicContact CG-CD1 4Å; Q62-L110 HydrophobicContact CG-CD2 3.87Å; Q62-I546 HydrophobicContact CB-CD1 4.34Å; Q62-I546 WeakPolarHBondContact O-CD1 3.45Å
63	L	98.9	Very high	98.5	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-63.5	-46.1	172.5	-70.5	169.7	0	0	0	110.6	T59 D60 Q61 L65 A66 Y67 L371 I546 I548 L554	T59-L63 HydrophobicContact CG2-CD1 4.44Å; T59-L63 WeakPolarHBondContact O-CG 2.96Å; T59-L63 PolarHBondContact O-N 3.45Å; D60-L63 PolarHBondContact O-N 3.29Å; Q61-L63 VanDerWaalsContact C-N 3.34Å; Q61-L63 PolarHBondContact O-N 3.08Å; L63-L65 PolarHBondContact O-N 2.86Å; L63-A66 WeakPolarHBondContact O-CB 3.44Å; L63-A66 PolarHBondContact O-N 2.72Å; L63-A66 VanDerWaalsContact O-N 3.16Å; L63-Y67 WeakPolarHBondContact O-CD2 3.49Å; L63-Y67 PolarHBondContact O-N 3.12Å; L63-L371 HydrophobicContact CB-CD1 3.66Å; L63-L371 HydrophobicContact CB-CG 4.11Å; L63-I546 HydrophobicContact CD2-CB 4.11Å; L63-I546 HydrophobicContact CD2-CD1 4.5Å; L63-I546 HydrophobicContact CD2-CG2 3.61Å; L63-I546 HydrophobicContact CG-CG2 4.14Å; L63-I548 HydrophobicContact CD2-CG1 4.23Å; L63-L554 HydrophobicContact CD2-CB 4.27Å; L63-L554 HydrophobicContact CD2-CD2 3.68Å
64	N	98.9	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.4	-49.5	-176.2	-167.4	35.1	0	0	0	112.1	D60 Q61 A66 Y67 V68 A341 L343 T356 L371	D60-N64 WeakPolarHBondContact O-CB 3.31Å; D60-N64 PolarHBondContact O-N 3.47Å; Q61-N64 PolarHBondContact O-N 2.88Å; Q61-N64 PolarHBondContact OE1-ND2 3.45Å; N64-A66 PolarHBondContact O-N 3.49Å; N64-Y67 WeakPolarHBondContact O-CB 3.27Å; N64-Y67 PolarHBondContact O-N 2.93Å; N64-V68 WeakPolarHBondContact O-CG2 3.43Å; N64-V68 PolarHBondContact O-N 3.1Å; N64-A341 PolarHBondContact ND2-O 3.45Å; N64-L343 HydrophobicContact CB-CD2 3.77Å; N64-L343 HydrophobicContact CB-CG 4.49Å; N64-T356 PolarHBondContact OD1-OG1 3.35Å; N64-T356 VanDerWaalsContact OD1-OG1 3.11Å; N64-L371 VanDerWaalsContact CA-CD1 3.46Å; N64-L371 HydrophobicContact CB-CD1 3.98Å
65	L	98.9	Very high	98.3	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.7	-27.5	177.5	-66.3	176.5	0	0	0	112.5	Q61 L63 V68 G69 V79 L110 L111 N114 L116	Q61-L65 HydrophobicContact CG-CD1 4.18Å; Q61-L65 HydrophobicContact CG-CG 4.27Å; Q61-L65 WeakPolarHBondContact O-CB 3.36Å; Q61-L65 WeakPolarHBondContact O-CG 3.26Å; Q61-L65 PolarHBondContact O-N 3Å; L63-L65 PolarHBondContact O-N 2.86Å; L65-V68 PolarHBondContact O-N 2.85Å; L65-G69 PolarHBondContact O-N 3.29Å; L65-V79 HydrophobicContact CD2-CG1 4.33Å; L65-V79 HydrophobicContact CD2-CG2 4.13Å; L65-L110 HydrophobicContact CD1-CD2 3.72Å; L65-L110 HydrophobicContact CD1-CG 3.83Å; L65-L111 HydrophobicContact CD1-CD2 3.97Å; L65-L111 HydrophobicContact CD2-CD2 3.96Å; L65-N114 PolarHBondContact O-OD1 3.35Å; L65-L116 HydrophobicContact CB-CD1 4.44Å; L65-L116 HydrophobicContact CD2-CD1 4.2Å
66	A	98.9	Very high	98.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-67.2	-37	169.4	0	0	0	0	0	113.6	Q62 L63 N64 S70 N114 I546 L554 I556	Q62-A66 WeakPolarHBondContact O-CB 3.36Å; Q62-A66 PolarHBondContact O-N 3.4Å; L63-A66 WeakPolarHBondContact O-CB 3.44Å; L63-A66 PolarHBondContact O-N 2.72Å; L63-A66 VanDerWaalsContact O-N 3.16Å; N64-A66 PolarHBondContact O-N 3.49Å; A66-S70 VanDerWaalsContact O-CB 3.23Å; A66-S70 WeakPolarHBondContact O-CB 3.39Å; A66-S70 PolarHBondContact O-N 2.86Å; A66-S70 PolarHBondContact O-OG 3.19Å; A66-N114 WeakPolarHBondContact CA-OD1 3.41Å; A66-N114 PolarHBondContact N-OD1 3.43Å; A66-I546 HydrophobicContact CB-CD1 3.82Å; A66-L554 HydrophobicContact CB-CD2 3.87Å; A66-I556 HydrophobicContact CB-CD1 3.45Å; A66-I556 VanDerWaalsContact CB-CD1 3.45Å; A66-I556 HydrophobicContact CB-CG1 4.27Å
67	Y	98.9	Very high	98.3	Very high	7 Å²	7	19.2 Å²	19.2	3%	0.027	11%	0.11	C	C	.	.	H	α-helix	trans	-71.3	-36.2	172.1	-86.2	-100	0	0	0	112.1	L63 N64 S70 T356 L371 R373 L377 L554 V595	L63-Y67 WeakPolarHBondContact O-CD2 3.49Å; L63-Y67 PolarHBondContact O-N 3.12Å; N64-Y67 WeakPolarHBondContact O-CB 3.27Å; N64-Y67 PolarHBondContact O-N 2.93Å; Y67-S70 PolarHBondContact O-N 3.44Å; Y67-S70 PolarHBondContact O-OG 2.78Å; Y67-S70 VanDerWaalsContact O-OG 3.08Å; Y67-T356 HydrophobicContact CD1-CG2 4.11Å; Y67-T356 HydrophobicContact CG-CG2 3.92Å; Y67-L371 HydrophobicContact CD2-CB 4.18Å; Y67-L371 HydrophobicContact CD2-CD1 4.07Å; Y67-L371 HydrophobicContact CE2-CB 3.84Å; Y67-L371 HydrophobicContact CE2-CD1 4.44Å; Y67-L371 PolarHBondContact OH-O 2.91Å; Y67-R373 HydrophobicContact CD1-CB 4.09Å; Y67-R373 HydrophobicContact CE1-CB 4Å; Y67-L377 HydrophobicContact CD1-CD2 4.21Å; Y67-L554 HydrophobicContact CD2-CD2 4.38Å; Y67-L554 HydrophobicContact CE2-CD1 4.29Å; Y67-L554 HydrophobicContact CE2-CD2 4.11Å; Y67-V595 WeakPolarHBondContact OH-CG2 3.43Å
68	V	98.9	Very high	98.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.4	-47.5	175	176.6	0	0	0	0	110.8	T41 N64 L65 S70 V71 I76 V79 L116 A341 L355	T41-V68 HydrophobicContact CG2-CG1 3.91Å; N64-V68 WeakPolarHBondContact O-CG2 3.43Å; N64-V68 PolarHBondContact O-N 3.1Å; L65-V68 PolarHBondContact O-N 2.85Å; V68-S70 PolarHBondContact O-N 2.87Å; V68-V71 WeakPolarHBondContact O-CG2 3.24Å; V68-I76 HydrophobicContact CG1-CB 4.16Å; V68-I76 HydrophobicContact CG1-CD1 4.13Å; V68-I76 HydrophobicContact CG1-CG2 3.65Å; V68-V79 HydrophobicContact CG1-CG2 4.17Å; V68-L116 HydrophobicContact CB-CD1 4.17Å; V68-L116 HydrophobicContact CG1-CD1 3.89Å; V68-L116 HydrophobicContact CG1-CD2 4.02Å; V68-A341 HydrophobicContact CG2-CB 4.44Å; V68-L355 HydrophobicContact CG2-CD1 3.84Å
69	G	98.6	Very high	98.3	Very high	19 Å²	19	17 Å²	17	20%	0.196	10%	0.097	C	C	.	.	H	α-helix	trans	-72.4	-12.5	178.6	0	0	0	0	0	114.4	L65 V71 N114	L65-G69 PolarHBondContact O-N 3.29Å; G69-V71 VanDerWaalsContact C-N 3.3Å; G69-V71 PolarHBondContact O-N 3.43Å; G69-N114 WeakPolarHBondContact CA-O 3.46Å
70	S	98.5	Very high	98.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-1.6	179.7	74.4	0	0	0	0	115	A66 Y67 V68 F591 T592 S593	A66-S70 VanDerWaalsContact O-CB 3.23Å; A66-S70 WeakPolarHBondContact O-CB 3.39Å; A66-S70 PolarHBondContact O-N 2.86Å; A66-S70 PolarHBondContact O-OG 3.19Å; Y67-S70 PolarHBondContact O-N 3.44Å; Y67-S70 PolarHBondContact O-OG 2.78Å; Y67-S70 VanDerWaalsContact O-OG 3.08Å; V68-S70 PolarHBondContact O-N 2.87Å; S70-F591 WeakPolarHBondContact O-CA 3.46Å; S70-F591 WeakPolarHBondContact O-CD1 3.35Å; S70-T592 VanDerWaalsContact CA-OG1 3.24Å; S70-T592 WeakPolarHBondContact CA-OG1 3.34Å; S70-T592 PolarHBondContact O-N 2.96Å; S70-T592 PolarHBondContact O-OG1 3.29Å; S70-S593 VanDerWaalsContact CB-OG 3.26Å; S70-S593 WeakPolarHBondContact CB-OG 3.44Å; S70-S593 PolarHBondContact OG-OG 3.24Å
71	V	98.8	Very high	98.4	Very high	3 Å²	3	12.5 Å²	12.5	2%	0.018	7%	0.07	C	C	.	.	S	Bend	trans	-64.9	122.5	171.9	-175.2	0	0	0	0	108.5	V68 G69 I76 L377 M380 F591	V68-V71 WeakPolarHBondContact O-CG2 3.24Å; G69-V71 VanDerWaalsContact C-N 3.3Å; G69-V71 PolarHBondContact O-N 3.43Å; V71-I76 HydrophobicContact CB-CG1 4.49Å; V71-I76 HydrophobicContact CG2-CD1 3.88Å; V71-I76 HydrophobicContact CG2-CG1 4.08Å; V71-L377 HydrophobicContact CG2-CD1 3.38Å; V71-L377 HydrophobicContact CG2-CG 4.44Å; V71-M380 HydrophobicContact CG1-CB 4.01Å; V71-M380 HydrophobicContact CG2-CB 4.41Å; V71-F591 HydrophobicContact CG2-CE1 4.09Å
72	P	97.4	Very high	98.4	Very high	2 Å²	2	13 Å²	13	1%	0.013	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-59.6	154.6	-172.3	23.1	-34	0	0	0	112.8	G74 G75 A384 D559 I590	P72-G74 PolarHBondContact O-N 2.79Å; P72-G74 VanDerWaalsContact O-N 3.09Å; P72-G75 PolarHBondContact O-N 2.88Å; P72-A384 HydrophobicContact CG-CB 4.49Å; P72-A384 WeakPolarHBondContact O-CB 3.35Å; P72-D559 WeakPolarHBondContact CA-OD2 3.42Å; P72-I590 WeakPolarHBondContact CB-O 3.43Å; P72-I590 HydrophobicContact CG-CD1 4.25Å; P72-I590 HydrophobicContact CG-CG1 4.29Å
73	H	96.1	Very high	98.4	Very high	38 Å²	38	9.7 Å²	9.7	18%	0.176	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	54.1	30.6	173.8	-47.4	-55	0	0	0	114.3	G75 D559 S564 K565	H73-G75 VanDerWaalsContact C-N 3.34Å; H73-G75 PolarHBondContact O-N 3.14Å; H73-D559 IonicContact CE1-OD2 3.22Å; H73-D559 IonicContact CG-OD2 2.89Å; H73-D559 PolarHBondContact N-OD2 3.44Å; H73-D559 IonicContact ND1-OD2 2.7Å; H73-D559 PolarHBondContact ND1-OD2 3Å; H73-S564 PolarHBondContact CE1-O 3.06Å; H73-K565 WeakPolarHBondContact NE2-CA 3.18Å; H73-K565 WeakPolarHBondContact NE2-CB 3.46Å
74	G	96.2	Very high	98.4	Very high	22 Å²	22	9.6 Å²	9.6	23%	0.227	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	59	44	-174.7	0	0	0	0	0	112	R39 P72 I76 Q77	R39-G74 VanDerWaalsContact CD-O 3.25Å; R39-G74 WeakPolarHBondContact CD-O 3.25Å; R39-G74 PolarHBondContact NE-O 3.29Å; P72-G74 PolarHBondContact O-N 2.79Å; P72-G74 VanDerWaalsContact O-N 3.09Å; G74-I76 PolarHBondContact O-N 3.25Å; G74-Q77 WeakPolarHBondContact O-CG 3.33Å
75	G	97.8	Very high	98.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.056	C	C	.	.	S	Bend	trans	-64.1	-16.2	177	0	0	0	0	0	113.9	R39 P72 H73	R39-G75 WeakPolarHBondContact CG-O 3.34Å; P72-G75 PolarHBondContact O-N 2.88Å; H73-G75 VanDerWaalsContact C-N 3.34Å; H73-G75 PolarHBondContact O-N 3.14Å
76	I	98.8	Very high	98.3	Very high	4 Å²	4	10 Å²	10	2%	0.021	6%	0.058	C	C	.	.			trans	-129.5	134.1	159.4	-58.5	175.5	0	0	0	106.7	T41 V68 V71 G74 L116 L355 L377 M380	T41-I76 HydrophobicContact CG2-CG2 3.88Å; V68-I76 HydrophobicContact CG1-CB 4.16Å; V68-I76 HydrophobicContact CG1-CD1 4.13Å; V68-I76 HydrophobicContact CG1-CG2 3.65Å; V71-I76 HydrophobicContact CB-CG1 4.49Å; V71-I76 HydrophobicContact CG2-CD1 3.88Å; V71-I76 HydrophobicContact CG2-CG1 4.08Å; G74-I76 PolarHBondContact O-N 3.25Å; I76-L116 HydrophobicContact CG2-CD2 4.4Å; I76-L355 HydrophobicContact CD1-CD1 4Å; I76-L377 HydrophobicContact CD1-CD1 4.09Å; I76-M380 HydrophobicContact CD1-CB 4.48Å; I76-M380 HydrophobicContact CD1-CG 4.3Å; I76-M380 HydrophobicContact CG1-CB 4.45Å; I76-M380 HydrophobicContact CG1-CE 4.28Å
77	Q	97.9	Very high	98.3	Very high	87 Å²	87	10 Å²	10	41%	0.407	6%	0.058	S	C	.	.			trans	-124.7	-37.8	-178.7	-62.3	-177.6	-50.6	0	0	111.5	R39 G74 L116 Q117	R39-Q77 HydrophobicContact CB-CG 4.32Å; R39-Q77 PolarHBondContact O-N 2.88Å; G74-Q77 WeakPolarHBondContact O-CG 3.33Å; Q77-L116 CarbonylContact O-C 3.57Å; Q77-L116 WeakPolarHBondContact O-CA 3.46Å; Q77-Q117 VanDerWaalsContact O-CG 3.28Å; Q77-Q117 WeakPolarHBondContact O-CG 3.34Å; Q77-Q117 PolarHBondContact O-N 3.41Å
78	Q	98.8	Very high	98.3	Very high	7 Å²	7	9.6 Å²	9.6	3%	0.033	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	140.6	-179.8	-178.4	174	-78.9	0	0	112.2	R39 S40 T41 Q117 N166	R39-Q78 PolarHBondContact O-N 2.99Å; R39-Q78 VanDerWaalsContact O-N 3.13Å; S40-Q78 PolarHBondContact OG-NE2 3.35Å; S40-Q78 VanDerWaalsContact OG-NE2 3.11Å; T41-Q78 PolarHBondContact N-O 2.87Å; Q78-Q117 WeakPolarHBondContact CA-O 3.37Å; Q78-Q117 HydrophobicContact CB-CG 4.46Å; Q78-N166 PolarHBondContact OE1-ND2 3.46Å
79	V	98.9	Very high	98.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	110.7	162.6	-169.8	0	0	0	0	108.7	T41 F43 L65 V68 I81 L111 L116 Q117 P118 G119	T41-V79 HydrophobicContact CG2-CG1 4.34Å; T41-V79 HydrophobicContact CG2-CG2 4.04Å; T41-V79 CarbonylContact O-C 3.55Å; T41-V79 WeakPolarHBondContact O-CA 3.23Å; F43-V79 HydrophobicContact CD1-CG1 3.84Å; F43-V79 HydrophobicContact CE1-CG1 3.82Å; L65-V79 HydrophobicContact CD2-CG1 4.33Å; L65-V79 HydrophobicContact CD2-CG2 4.13Å; V68-V79 HydrophobicContact CG1-CG2 4.17Å; V79-I81 HydrophobicContact CB-CD1 4.47Å; V79-I81 HydrophobicContact CB-CG1 4.35Å; V79-I81 HydrophobicContact CG1-CD1 4.11Å; V79-I81 HydrophobicContact CG1-CG1 3.78Å; V79-L111 HydrophobicContact CB-CD2 4.05Å; V79-L111 HydrophobicContact CG2-CD2 3.97Å; V79-L116 HydrophobicContact CG2-CB 4.41Å; V79-L116 HydrophobicContact CG2-CD1 3.84Å; V79-L116 HydrophobicContact CG2-CD2 4.43Å; V79-L116 HydrophobicContact CG2-CG 4.45Å; V79-Q117 PolarHBondContact N-O 3.46Å; V79-P118 CarbonylContact O-C 3.57Å; V79-P118 WeakPolarHBondContact O-CA 3.25Å; V79-G119 PolarHBondContact O-N 2.98Å
80	R	98.9	Very high	97.9	Very high	1 Å²	1	11.8 Å²	11.8	0%	0.004	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	121.6	173.5	-177.8	173.3	178.2	-96.9	-5.5	109.4	T41 G42 F43 H82 E121 E168 N171 E289	T41-R80 PolarHBondContact O-N 3.28Å; G42-R80 CarbonylContact C-O 3.59Å; G42-R80 WeakPolarHBondContact CA-O 3.29Å; F43-R80 PolarHBondContact N-O 3.4Å; R80-H82 PolarHBondContact NH1-CE1 2.91Å; R80-E121 HydrophobicContact CG-CG 4.13Å; R80-E121 WeakPolarHBondContact CG-OE2 3.04Å; R80-E121 IonicContact CZ-OE1 3.17Å; R80-E121 IonicContact CZ-OE2 2.74Å; R80-E121 IonicContact NE-OE1 3.23Å; R80-E121 IonicContact NE-OE2 3.64Å; R80-E121 IonicContact NH1-OE1 3.33Å; R80-E121 IonicContact NH2-OE1 3.25Å; R80-E121 PolarHBondContact NH2-OE1 3.24Å; R80-E121 IonicContact NH2-OE2 3Å; R80-E168 WeakPolarHBondContact CD-OE2 3.48Å; R80-E168 IonicContact CZ-OE2 3.51Å; R80-E168 IonicContact NE-OE2 3.45Å; R80-E168 PolarHBondContact NE-OE2 2.96Å; R80-E168 IonicContact NH2-OE2 3.29Å; R80-N171 PolarHBondContact NH1-OD1 2.04Å; R80-N171 PolarHBondContact NH2-OD1 3.03Å; R80-E289 IonicContact CZ-OE1 3.45Å; R80-E289 IonicContact NH1-OE1 3.29Å; R80-E289 PolarHBondContact NH1-OE1 2.89Å
81	I	98.8	Very high	97.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	120.6	-169.4	-53.3	177.6	0	0	0	109.4	F43 V79 M84 L107 L111 G119 E121	F43-I81 HydrophobicContact CD1-CG1 4.23Å; F43-I81 HydrophobicContact CE1-CB 4.37Å; F43-I81 HydrophobicContact CE1-CD1 3.73Å; F43-I81 HydrophobicContact CE1-CG1 3.56Å; F43-I81 HydrophobicContact CE1-CG2 4.09Å; F43-I81 HydrophobicContact CE2-CG2 3.97Å; F43-I81 HydrophobicContact CZ-CB 4.37Å; F43-I81 HydrophobicContact CZ-CD1 3.94Å; F43-I81 HydrophobicContact CZ-CG1 3.94Å; F43-I81 HydrophobicContact CZ-CG2 3.61Å; V79-I81 HydrophobicContact CB-CD1 4.47Å; V79-I81 HydrophobicContact CB-CG1 4.35Å; V79-I81 HydrophobicContact CG1-CD1 4.11Å; V79-I81 HydrophobicContact CG1-CG1 3.78Å; I81-M84 HydrophobicContact CB-CG 3.81Å; I81-M84 HydrophobicContact CB-SD 3.91Å; I81-M84 HydrophobicContact CG2-CG 3.86Å; I81-M84 WeakPolarHBondContact O-CG 3.4Å; I81-L107 HydrophobicContact CD1-CD1 4.34Å; I81-L107 HydrophobicContact CD1-CD2 4.17Å; I81-L111 HydrophobicContact CD1-CD1 4.01Å; I81-L111 HydrophobicContact CD1-CD2 4.37Å; I81-G119 PolarHBondContact N-O 3.11Å; I81-E121 VanDerWaalsContact C-OE2 3.23Å
82	H	98.8	Very high	96.8	Very high	11 Å²	11	23.2 Å²	23.2	5%	0.051	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	157.5	175.2	-60.6	7.2	0	0	0	111.2	F43 C44 P45 R80 M84 E121 M123 N171 E289	F43-H82 PolarHBondContact O-N 2.92Å; C44-H82 HydrophobicContact CB-CB 4Å; C44-H82 WeakPolarHBondContact CB-CD2 3.31Å; C44-H82 VanDerWaalsContact SG-CD2 3.53Å; P45-H82 WeakPolarHBondContact CD-O 3.31Å; R80-H82 PolarHBondContact NH1-CE1 2.91Å; H82-M84 PolarHBondContact O-N 3.11Å; H82-M84 VanDerWaalsContact O-N 3.11Å; H82-E121 IonicContact CE1-OE1 3.33Å; H82-E121 IonicContact CE1-OE2 2.69Å; H82-E121 IonicContact CG-OE2 3.92Å; H82-E121 PolarHBondContact N-OE2 2.94Å; H82-E121 IonicContact ND1-OE1 2.67Å; H82-E121 IonicContact ND1-OE2 2.98Å; H82-E121 PolarHBondContact ND1-OE2 2.85Å; H82-M123 HydrophobicContact CB-CE 4.38Å; H82-M123 HydrophobicContact CB-SD 3.69Å; H82-N171 PolarHBondContact CE1-OD1 3.48Å; H82-N171 PolarHBondContact NE2-ND2 2.88Å; H82-E289 IonicContact CE1-OE1 2.79Å; H82-E289 IonicContact NE2-OE1 3.7Å
83	W	98.7	Very high	96	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	22.4	170.5	-57.8	107.2	0	0	0	115.7	P45 H49 L85 E86 M123 W170 D179	P45-W83 HydrophobicContact CG-CB 4.04Å; H49-W83 HydrophobicContact CB-CB 4.37Å; H49-W83 HydrophobicContact CB-CD2 3.91Å; H49-W83 HydrophobicContact CB-CE3 4.13Å; H49-W83 HydrophobicContact CB-CG 4.02Å; H49-W83 AromaticContact CD2-CD1 3.44Å; H49-W83 VanDerWaalsContact CD2-CD1 3.44Å; H49-W83 AromaticContact CD2-CE2 3.88Å; H49-W83 AromaticContact CD2-CG 3.87Å; H49-W83 AromaticContact CD2-NE1 3.45Å; H49-W83 PolarHBondContact CD2-NE1 2.89Å; H49-W83 AromaticContact CE1-CE2 3.29Å; H49-W83 AromaticContact CE1-CZ2 3.38Å; H49-W83 WeakPolarHBondContact CE1-CZ2 3.34Å; H49-W83 AromaticContact CE1-NE1 3.21Å; H49-W83 PolarHBondContact CE1-NE1 3.1Å; H49-W83 AromaticContact CG-CD1 3.79Å; H49-W83 AromaticContact CG-CD2 3.67Å; H49-W83 AromaticContact CG-CE2 3.59Å; H49-W83 AromaticContact CG-CG 3.81Å; H49-W83 AromaticContact CG-NE1 3.67Å; H49-W83 AromaticContact ND1-CD2 3.73Å; H49-W83 AromaticContact ND1-CE2 3.22Å; H49-W83 AromaticContact ND1-CH2 3.8Å; H49-W83 AromaticContact ND1-CZ2 3.29Å; H49-W83 VanDerWaalsContact ND1-CZ2 3.29Å; H49-W83 WeakPolarHBondContact ND1-CZ2 3.47Å; H49-W83 AromaticContact ND1-NE1 3.54Å; H49-W83 AromaticContact NE2-CD1 3.64Å; H49-W83 AromaticContact NE2-CE2 3.75Å; H49-W83 AromaticContact NE2-NE1 3.2Å; H49-W83 PolarHBondContact NE2-NE1 3.06Å; H49-W83 VanDerWaalsContact NE2-NE1 3.2Å; W83-L85 PolarHBondContact O-N 3Å; W83-L85 VanDerWaalsContact O-N 3.07Å; W83-E86 HydrophobicContact CB-CG 4.33Å; W83-E86 HydrophobicContact CE3-CG 4.03Å; W83-E86 WeakPolarHBondContact O-CB 3.42Å; W83-E86 PolarHBondContact O-N 3.33Å; W83-M123 CarbonylContact C-O 3.59Å; W83-M123 WeakPolarHBondContact CA-O 3.21Å; W83-M123 HydrophobicContact CD2-CE 3.73Å; W83-M123 HydrophobicContact CD2-CG 4.14Å; W83-M123 HydrophobicContact CD2-SD 4.21Å; W83-M123 HydrophobicContact CE3-CE 4.35Å; W83-M123 HydrophobicContact CE3-CG 4.13Å; W83-M123 HydrophobicContact CG-CE 4.2Å; W83-M123 HydrophobicContact CG-SD 4.28Å; W83-M123 HydrophobicContact CH2-CE 4.17Å; W83-M123 HydrophobicContact CZ2-CE 3.48Å; W83-M123 VanDerWaalsContact CZ2-CE 3.48Å; W83-M123 PolarHBondContact N-SD 2.7Å; W83-M123 VanDerWaalsContact N-SD 3.43Å; W83-W170 HydrophobicContact CE3-CZ2 4.33Å; W83-W170 HydrophobicContact CH2-CH2 4.41Å; W83-W170 AromaticContact CH2-CZ2 3.43Å; W83-W170 HydrophobicContact CH2-CZ2 3.43Å; W83-W170 VanDerWaalsContact CH2-CZ2 3.43Å; W83-W170 HydrophobicContact CZ2-CZ2 4.42Å; W83-W170 AromaticContact CZ3-CH2 4Å; W83-W170 HydrophobicContact CZ3-CH2 4Å; W83-W170 AromaticContact CZ3-CZ2 3.36Å; W83-W170 HydrophobicContact CZ3-CZ2 3.36Å; W83-D179 HydrophobicContact CH2-CB 3.95Å; W83-D179 HydrophobicContact CZ3-CB 4.46Å
84	M	98.2	Very high	95.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-55.5	-30.4	178.9	-72.6	-178.3	72.6	0	0	113	I81 H82 E86 L87 L104 L107 I108 P118 F120	I81-M84 HydrophobicContact CB-CG 3.81Å; I81-M84 HydrophobicContact CB-SD 3.91Å; I81-M84 HydrophobicContact CG2-CG 3.86Å; I81-M84 WeakPolarHBondContact O-CG 3.4Å; H82-M84 PolarHBondContact O-N 3.11Å; H82-M84 VanDerWaalsContact O-N 3.11Å; M84-E86 PolarHBondContact O-N 3.49Å; M84-L87 WeakPolarHBondContact O-CB 3.4Å; M84-L87 PolarHBondContact O-N 3.02Å; M84-L87 VanDerWaalsContact O-N 3.17Å; M84-L104 HydrophobicContact CB-CD1 4.12Å; M84-L104 HydrophobicContact CE-CD1 3.84Å; M84-L107 HydrophobicContact CE-CD2 4.32Å; M84-L107 HydrophobicContact CG-CD2 4.49Å; M84-I108 HydrophobicContact CE-CD1 3.64Å; M84-P118 HydrophobicContact CE-CB 4.09Å; M84-P118 HydrophobicContact SD-CB 4.41Å; M84-F120 HydrophobicContact CE-CD2 3.91Å; M84-F120 HydrophobicContact CE-CE2 3.88Å; M84-F120 HydrophobicContact CE-CG 4.31Å; M84-F120 HydrophobicContact CE-CZ 4.24Å; M84-F120 HydrophobicContact SD-CD1 4.49Å; M84-F120 HydrophobicContact SD-CG 4.34Å
85	L	98.6	Very high	94.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-76.5	-9.5	180	-54.1	-174.1	0	0	0	113.4	W83 L87 V88 F120 L122 M123 V126 W142 I149	W83-L85 PolarHBondContact O-N 3Å; W83-L85 VanDerWaalsContact O-N 3.07Å; L85-L87 PolarHBondContact O-N 3.12Å; L85-V88 WeakPolarHBondContact O-CB 3.06Å; L85-V88 PolarHBondContact O-N 2.86Å; L85-F120 HydrophobicContact CD2-CE1 4.11Å; L85-L122 VanDerWaalsContact CD1-C 3.44Å; L85-L122 HydrophobicContact CD1-CB 4.32Å; L85-M123 VanDerWaalsContact CB-O 3.26Å; L85-M123 WeakPolarHBondContact CB-O 3.5Å; L85-M123 PolarHBondContact N-O 2.83Å; L85-V126 HydrophobicContact CB-CG2 4.11Å; L85-W142 HydrophobicContact CD1-CH2 3.43Å; L85-W142 VanDerWaalsContact CD1-CH2 3.43Å; L85-W142 HydrophobicContact CD1-CZ2 3.47Å; L85-W142 VanDerWaalsContact CD1-CZ2 3.47Å; L85-W142 HydrophobicContact CD1-CZ3 4.49Å; L85-I149 HydrophobicContact CD2-CD1 3.52Å
86	E	98.4	Very high	93.5	Very high	8 Å²	8	38 Å²	38	4%	0.037	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-72.9	-14.1	167.5	-67.4	-60.2	149.9	0	0	112.9	H49 W83 M84 V88 S125	H49-E86 HydrophobicContact CB-CG 4.12Å; H49-E86 WeakPolarHBondContact O-CB 3.27Å; W83-E86 HydrophobicContact CB-CG 4.33Å; W83-E86 HydrophobicContact CE3-CG 4.03Å; W83-E86 WeakPolarHBondContact O-CB 3.42Å; W83-E86 PolarHBondContact O-N 3.33Å; M84-E86 PolarHBondContact O-N 3.49Å; E86-V88 PolarHBondContact O-N 3.25Å; E86-S125 WeakPolarHBondContact OE1-CA 3.46Å; E86-S125 WeakPolarHBondContact OE1-CB 3.28Å; E86-S125 PolarHBondContact OE1-N 3.21Å; E86-S125 PolarHBondContact OE1-OG 2.96Å
87	L	98.6	Very high	92.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-79.9	-8.2	170.5	-75.2	65.7	0	0	0	111.8	A52 D53 D56 M84 L85 K103 L104 L107	A52-L87 HydrophobicContact CB-CD1 3.82Å; D53-L87 HydrophobicContact CB-CG 4.21Å; D56-L87 HydrophobicContact CB-CD2 4.32Å; D56-L87 WeakPolarHBondContact OD2-CD1 3.38Å; M84-L87 WeakPolarHBondContact O-CB 3.4Å; M84-L87 PolarHBondContact O-N 3.02Å; M84-L87 VanDerWaalsContact O-N 3.17Å; L85-L87 PolarHBondContact O-N 3.12Å; L87-K103 HydrophobicContact CB-CB 4.02Å; L87-K103 HydrophobicContact CG-CB 4.31Å; L87-L104 HydrophobicContact CB-CB 3.99Å; L87-L104 HydrophobicContact CB-CD1 4.33Å; L87-L107 HydrophobicContact CD2-CB 3.86Å; L87-L107 HydrophobicContact CD2-CD2 3.66Å; L87-L107 HydrophobicContact CD2-CG 4.38Å
88	V	98.5	Very high	92.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.239	C	C	.	.			trans	-91.8	129.5	171.6	-172.1	0	0	0	0	108.5	L85 E86 Y99 F101 L104 V126 L145	L85-V88 WeakPolarHBondContact O-CB 3.06Å; L85-V88 PolarHBondContact O-N 2.86Å; E86-V88 PolarHBondContact O-N 3.25Å; V88-Y99 HydrophobicContact CG1-CD1 3.86Å; V88-Y99 HydrophobicContact CG1-CG 4.34Å; V88-F101 HydrophobicContact CG1-CD1 3.91Å; V88-F101 HydrophobicContact CG1-CE1 3.8Å; V88-F101 HydrophobicContact CG2-CD1 3.81Å; V88-F101 HydrophobicContact CG2-CE1 4.05Å; V88-L104 HydrophobicContact CG2-CB 4.34Å; V88-L104 HydrophobicContact CG2-CD2 3.71Å; V88-V126 HydrophobicContact CB-CG1 4.05Å; V88-V126 HydrophobicContact CB-CG2 4.47Å; V88-V126 HydrophobicContact CG1-CG1 3.9Å; V88-V126 WeakPolarHBondContact O-CG1 3.25Å; V88-L145 HydrophobicContact CG1-CD1 4.44Å
89	T	96.5	Very high	92.5	Very high	42 Å²	42	41.6 Å²	41.6	26%	0.258	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	150.6	173.1	56.1	0	0	0	0	110.9	Y99 N100 S127	T89-Y99 CarbonylContact O-C 2.97Å; T89-Y99 WeakPolarHBondContact O-CA 2.93Å; T89-N100 PolarHBondContact N-O 2.82Å; T89-N100 PolarHBondContact O-N 3Å; T89-N100 WeakPolarHBondContact OG1-CB 3.34Å; T89-S127 WeakPolarHBondContact CA-OG 3.43Å
90	L	93.4	Very high	92.4	Very high	22 Å²	22	44.7 Å²	44.7	12%	0.115	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.4	179.6	-179.9	150.1	0	0	0	110.7	H92 P97 Y99 V126 S127 Y129	L90-H92 VanDerWaalsContact CD2-CE1 3.46Å; L90-H92 WeakPolarHBondContact CD2-CE1 3.23Å; L90-P97 HydrophobicContact CD1-CB 3.6Å; L90-P97 HydrophobicContact CD2-CB 4.46Å; L90-P97 HydrophobicContact CG-CB 4.13Å; L90-Y99 HydrophobicContact CB-CD1 4.33Å; L90-Y99 HydrophobicContact CB-CE1 4.42Å; L90-Y99 HydrophobicContact CD1-CD1 4.15Å; L90-Y99 HydrophobicContact CD1-CE1 3.53Å; L90-Y99 HydrophobicContact CG-CE1 4.38Å; L90-V126 HydrophobicContact CB-CG1 4.09Å; L90-S127 PolarHBondContact N-OG 3.16Å; L90-Y129 HydrophobicContact CD1-CD1 3.71Å; L90-Y129 HydrophobicContact CD1-CD2 3.72Å; L90-Y129 HydrophobicContact CD1-CE1 4.06Å; L90-Y129 HydrophobicContact CD1-CE2 4.05Å; L90-Y129 HydrophobicContact CD1-CG 3.51Å; L90-Y129 HydrophobicContact CD2-CD2 3.74Å; L90-Y129 HydrophobicContact CD2-CE2 4.23Å; L90-Y129 HydrophobicContact CD2-CG 4.22Å; L90-Y129 HydrophobicContact CG-CD2 4.39Å; L90-Y129 HydrophobicContact CG-CG 4.43Å
91	Q	89.9	Confident	92.4	Very high	120 Å²	120	45.6 Å²	45.6	56%	0.561	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.8	170.8	-62.1	-177.2	9.5	0	0	110.1	Q98	Q91-Q98 PolarHBondContact N-O 3.23Å; Q91-Q98 PolarHBondContact O-N 3.09Å
92	H	84.1	Confident	92.4	Very high	123 Å²	123	48.9 Å²	48.9	57%	0.569	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	111.1	173.7	-71	82.8	0	0	0	109.7	L90 Y129	L90-H92 VanDerWaalsContact CD2-CE1 3.46Å; L90-H92 WeakPolarHBondContact CD2-CE1 3.23Å; H92-Y129 AromaticContact CE1-CE2 3.95Å; H92-Y129 AromaticContact NE2-CE2 3.76Å
93	V	80	Confident	92.4	Very high	68 Å²	68	51.7 Å²	51.7	41%	0.412	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.2	176.6	-178.1	0	0	0	0	108.5	G95 K96 Q98	V93-G95 PolarHBondContact O-N 2.88Å; V93-K96 PolarHBondContact N-O 3.43Å; V93-K96 PolarHBondContact O-N 3.25Å; V93-Q98 HydrophobicContact CB-CG 4.15Å; V93-Q98 HydrophobicContact CG2-CG 4.31Å
94	G	76.9	Confident	92.4	Very high	84 Å²	84	51.7 Å²	51.7	87%	0.866	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	30.2	-177.7	0	0	0	0	0	114	K96	G94-K96 VanDerWaalsContact C-N 3.32Å; G94-K96 PolarHBondContact O-N 3.05Å
95	G	78.8	Confident	92.4	Very high	71 Å²	71	52.5 Å²	52.5	73%	0.732	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	9.4	-179.3	0	0	0	0	0	115.2	V93	V93-G95 PolarHBondContact O-N 2.88Å
96	K	81.1	Confident	92.4	Very high	151 Å²	151	57.3 Å²	57.3	66%	0.657	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	144	175.6	-64.5	-175.7	179.9	-176.8	0	111.1	V93 G94 Q98	V93-K96 PolarHBondContact N-O 3.43Å; V93-K96 PolarHBondContact O-N 3.25Å; G94-K96 VanDerWaalsContact C-N 3.32Å; G94-K96 PolarHBondContact O-N 3.05Å; K96-Q98 PolarHBondContact O-N 2.84Å
97	P	85.5	Confident	92.4	Very high	34 Å²	34	57 Å²	57	22%	0.221	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	132.4	173.3	28.4	-33.5	0	0	0	109.9	L90 E141	L90-P97 HydrophobicContact CD1-CB 3.6Å; L90-P97 HydrophobicContact CD2-CB 4.46Å; L90-P97 HydrophobicContact CG-CB 4.13Å; P97-E141 HydrophobicContact CG-CG 4.31Å
98	Q	92.5	Very high	92.4	Very high	106 Å²	106	57.1 Å²	57.1	50%	0.495	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.2	170.3	-69.1	-165.9	-4.6	0	0	109	Q91 V93 K96	Q91-Q98 PolarHBondContact N-O 3.23Å; Q91-Q98 PolarHBondContact O-N 3.09Å; V93-Q98 HydrophobicContact CB-CG 4.15Å; V93-Q98 HydrophobicContact CG2-CG 4.31Å; K96-Q98 PolarHBondContact O-N 2.84Å
99	Y	97.1	Very high	92.4	Very high	32 Å²	32	61.3 Å²	61.3	13%	0.125	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	137.9	180	-60.8	-72.6	0	0	0	111.3	V88 T89 L90 F101 V126 E141 L145 L148	V88-Y99 HydrophobicContact CG1-CD1 3.86Å; V88-Y99 HydrophobicContact CG1-CG 4.34Å; T89-Y99 CarbonylContact O-C 2.97Å; T89-Y99 WeakPolarHBondContact O-CA 2.93Å; L90-Y99 HydrophobicContact CB-CD1 4.33Å; L90-Y99 HydrophobicContact CB-CE1 4.42Å; L90-Y99 HydrophobicContact CD1-CD1 4.15Å; L90-Y99 HydrophobicContact CD1-CE1 3.53Å; L90-Y99 HydrophobicContact CG-CE1 4.38Å; Y99-F101 VanDerWaalsContact CB-CZ 3.49Å; Y99-F101 HydrophobicContact CD2-CZ 4.39Å; Y99-F101 HydrophobicContact CG-CZ 4.07Å; Y99-V126 HydrophobicContact CD1-CG1 4.02Å; Y99-V126 HydrophobicContact CE1-CG1 3.97Å; Y99-E141 VanDerWaalsContact OH-CG 3.3Å; Y99-E141 WeakPolarHBondContact OH-CG 3.37Å; Y99-E141 PolarHBondContact OH-OE1 2.85Å; Y99-L145 HydrophobicContact CD1-CD1 3.82Å; Y99-L145 HydrophobicContact CD2-CD1 4.06Å; Y99-L145 HydrophobicContact CE1-CB 4.48Å; Y99-L145 HydrophobicContact CE1-CD1 3.79Å; Y99-L145 HydrophobicContact CE1-CD2 4.23Å; Y99-L145 HydrophobicContact CE1-CG 4.39Å; Y99-L145 HydrophobicContact CE2-CB 4.2Å; Y99-L145 HydrophobicContact CE2-CD1 4.06Å; Y99-L145 HydrophobicContact CG-CD1 3.94Å; Y99-L148 HydrophobicContact CD2-CD1 3.87Å; Y99-L148 HydrophobicContact CE2-CD1 4.13Å
100	N	97.4	Very high	92.5	Very high	65 Å²	65	60.3 Å²	60.3	35%	0.348	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.2	168.1	176.4	-1.8	0	0	0	108.9	T89 T102	T89-N100 PolarHBondContact N-O 2.82Å; T89-N100 PolarHBondContact O-N 3Å; T89-N100 WeakPolarHBondContact OG1-CB 3.34Å; N100-T102 VanDerWaalsContact OD1-CB 3.29Å; N100-T102 WeakPolarHBondContact OD1-CB 3.33Å; N100-T102 PolarHBondContact OD1-N 3.39Å; N100-T102 PolarHBondContact OD1-OG1 2.82Å
101	F	98.4	Very high	92.8	Very high	21 Å²	21	59.3 Å²	59.3	9%	0.092	33%	0.329	C	S	.	.			trans	-94.5	2.7	-176.4	-62	-76.5	0	0	0	114	V88 Y99 K103 L104 D105 L145 L148 I149	V88-F101 HydrophobicContact CG1-CD1 3.91Å; V88-F101 HydrophobicContact CG1-CE1 3.8Å; V88-F101 HydrophobicContact CG2-CD1 3.81Å; V88-F101 HydrophobicContact CG2-CE1 4.05Å; Y99-F101 VanDerWaalsContact CB-CZ 3.49Å; Y99-F101 HydrophobicContact CD2-CZ 4.39Å; Y99-F101 HydrophobicContact CG-CZ 4.07Å; F101-K103 VanDerWaalsContact C-N 3.34Å; F101-K103 PolarHBondContact O-N 3.44Å; F101-L104 HydrophobicContact CD1-CD2 4.41Å; F101-L104 CarbonylContact O-C 3.58Å; F101-L104 WeakPolarHBondContact O-CA 3.25Å; F101-L104 PolarHBondContact O-N 2.87Å; F101-D105 VanDerWaalsContact O-CG 3.31Å; F101-D105 PolarHBondContact O-N 2.84Å; F101-L145 HydrophobicContact CE1-CD1 3.89Å; F101-L145 HydrophobicContact CZ-CD1 4Å; F101-L148 HydrophobicContact CZ-CB 4.26Å; F101-I149 HydrophobicContact CD1-CG1 4.34Å; F101-I149 HydrophobicContact CE1-CD1 4.38Å; F101-I149 HydrophobicContact CE1-CG1 3.56Å; F101-I149 HydrophobicContact CZ-CG1 4.27Å
102	T	98.4	Very high	93.2	Very high	69 Å²	69	54.9 Å²	54.9	42%	0.423	31%	0.311	S	S	.	.	H	α-helix	trans	-50.1	-50	-168.5	-57.4	0	0	0	0	112.9	N100 L104 D105 E106	N100-T102 VanDerWaalsContact OD1-CB 3.29Å; N100-T102 WeakPolarHBondContact OD1-CB 3.33Å; N100-T102 PolarHBondContact OD1-N 3.39Å; N100-T102 PolarHBondContact OD1-OG1 2.82Å; T102-L104 PolarHBondContact O-N 3.16Å; T102-D105 WeakPolarHBondContact O-CB 3.45Å; T102-D105 PolarHBondContact O-N 3.41Å; T102-E106 WeakPolarHBondContact CG2-OE1 3.2Å; T102-E106 WeakPolarHBondContact O-CG 3.13Å; T102-E106 PolarHBondContact O-N 2.82Å
103	K	98.7	Very high	93.8	Very high	70 Å²	70	53.3 Å²	53.3	30%	0.304	31%	0.307	S	S	.	.	H	α-helix	trans	-67.7	-38.2	-178.9	-65.3	168.9	168.3	-166.2	0	112.3	D53 L57 L87 F101 E106 L107	D53-K103 HydrophobicContact CB-CB 4.27Å; D53-K103 HydrophobicContact CB-CD 3.6Å; D53-K103 HydrophobicContact CB-CG 4.2Å; D53-K103 VanDerWaalsContact CG-CE 3.5Å; D53-K103 IonicContact OD1-NZ 3.33Å; D53-K103 PolarHBondContact OD1-NZ 3.28Å; D53-K103 WeakPolarHBondContact OD2-CE 3.46Å; D53-K103 IonicContact OD2-NZ 2.75Å; D53-K103 PolarHBondContact OD2-NZ 3.25Å; L57-K103 HydrophobicContact CD1-CB 3.99Å; L57-K103 HydrophobicContact CD1-CG 4.24Å; L87-K103 HydrophobicContact CB-CB 4.02Å; L87-K103 HydrophobicContact CG-CB 4.31Å; F101-K103 VanDerWaalsContact C-N 3.34Å; F101-K103 PolarHBondContact O-N 3.44Å; K103-E106 PolarHBondContact O-N 2.95Å; K103-L107 PolarHBondContact O-N 2.87Å; K103-L107 VanDerWaalsContact O-N 3.09Å
104	L	98.8	Very high	94.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.2	-38.7	175.7	-173	65	0	0	0	110.9	M84 L87 V88 F101 T102 E106 L107 I108 F120 Y153	M84-L104 HydrophobicContact CB-CD1 4.12Å; M84-L104 HydrophobicContact CE-CD1 3.84Å; L87-L104 HydrophobicContact CB-CB 3.99Å; L87-L104 HydrophobicContact CB-CD1 4.33Å; V88-L104 HydrophobicContact CG2-CB 4.34Å; V88-L104 HydrophobicContact CG2-CD2 3.71Å; F101-L104 HydrophobicContact CD1-CD2 4.41Å; F101-L104 CarbonylContact O-C 3.58Å; F101-L104 WeakPolarHBondContact O-CA 3.25Å; F101-L104 PolarHBondContact O-N 2.87Å; T102-L104 PolarHBondContact O-N 3.16Å; L104-E106 VanDerWaalsContact C-N 3.32Å; L104-E106 PolarHBondContact O-N 2.92Å; L104-L107 PolarHBondContact O-N 2.86Å; L104-I108 VanDerWaalsContact O-CG1 3.31Å; L104-I108 WeakPolarHBondContact O-CG1 3.38Å; L104-I108 PolarHBondContact O-N 3.15Å; L104-F120 HydrophobicContact CD2-CZ 4.13Å; L104-Y153 HydrophobicContact CD2-CE2 4.06Å; L104-Y153 VanDerWaalsContact CD2-OH 3.29Å; L104-Y153 WeakPolarHBondContact CD2-OH 3.37Å; L104-Y153 HydrophobicContact CG-CE2 4.47Å; L104-Y153 WeakPolarHBondContact CG-OH 3.11Å
105	D	98.8	Very high	95.6	Very high	16 Å²	16	49.3 Å²	49.3	9%	0.086	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-43.1	174.9	-65.4	-47.7	0	0	0	111.5	F101 T102 I108 E109 R152 Y153	F101-D105 VanDerWaalsContact O-CG 3.31Å; F101-D105 PolarHBondContact O-N 2.84Å; T102-D105 WeakPolarHBondContact O-CB 3.45Å; T102-D105 PolarHBondContact O-N 3.41Å; D105-I108 PolarHBondContact O-N 3.39Å; D105-E109 VanDerWaalsContact O-CB 3.27Å; D105-E109 WeakPolarHBondContact O-CB 3.48Å; D105-E109 PolarHBondContact O-N 3.49Å; D105-R152 IonicContact OD1-CZ 3.77Å; D105-R152 IonicContact OD1-NE 3.35Å; D105-R152 PolarHBondContact OD1-NE 3.14Å; D105-R152 IonicContact OD1-NH2 3.53Å; D105-R152 IonicContact OD2-CZ 3.94Å; D105-R152 VanDerWaalsContact OD2-CZ 3.29Å; D105-R152 IonicContact OD2-NE 3.55Å; D105-R152 PolarHBondContact OD2-NE 3.15Å; D105-R152 IonicContact OD2-NH2 2.72Å; D105-R152 PolarHBondContact OD2-NH2 3.07Å; D105-Y153 VanDerWaalsContact OD1-CE1 3.31Å; D105-Y153 WeakPolarHBondContact OD1-CE1 3.37Å; D105-Y153 PolarHBondContact OD1-OH 2.79Å
106	E	98.8	Very high	96.5	Very high	102 Å²	102	46.1 Å²	46.1	48%	0.477	24%	0.244	S	C	.	.	H	α-helix	trans	-61	-42.9	176.2	-72.8	174.2	-153.3	0	0	111.5	L57 T102 K103 L104 E109 L110	L57-E106 HydrophobicContact CD1-CB 4.17Å; L57-E106 WeakPolarHBondContact CD1-OE2 3.35Å; L57-E106 HydrophobicContact CD2-CB 3.89Å; T102-E106 WeakPolarHBondContact CG2-OE1 3.2Å; T102-E106 WeakPolarHBondContact O-CG 3.13Å; T102-E106 PolarHBondContact O-N 2.82Å; K103-E106 PolarHBondContact O-N 2.95Å; L104-E106 VanDerWaalsContact C-N 3.32Å; L104-E106 PolarHBondContact O-N 2.92Å; E106-E109 PolarHBondContact O-N 2.72Å; E106-L110 WeakPolarHBondContact O-CB 3.45Å; E106-L110 PolarHBondContact O-N 3.35Å
107	L	98.8	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.1	-45.2	176.3	178.1	59.8	0	0	0	112.1	D56 L57 I81 M84 L87 K103 L104 E109 L110 L111	D56-L107 HydrophobicContact CB-CD1 4.3Å; D56-L107 HydrophobicContact CB-CD2 4.37Å; L57-L107 HydrophobicContact CD2-CB 3.93Å; I81-L107 HydrophobicContact CD1-CD1 4.34Å; I81-L107 HydrophobicContact CD1-CD2 4.17Å; M84-L107 HydrophobicContact CE-CD2 4.32Å; M84-L107 HydrophobicContact CG-CD2 4.49Å; L87-L107 HydrophobicContact CD2-CB 3.86Å; L87-L107 HydrophobicContact CD2-CD2 3.66Å; L87-L107 HydrophobicContact CD2-CG 4.38Å; K103-L107 PolarHBondContact O-N 2.87Å; K103-L107 VanDerWaalsContact O-N 3.09Å; L104-L107 PolarHBondContact O-N 2.86Å; L107-E109 VanDerWaalsContact C-N 3.31Å; L107-E109 PolarHBondContact O-N 2.86Å; L107-L110 WeakPolarHBondContact O-CB 3.4Å; L107-L110 PolarHBondContact O-N 3.33Å; L107-L111 PolarHBondContact O-N 3.02Å
108	I	98.8	Very high	98	Very high	4 Å²	4	39 Å²	39	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-65.2	-37.8	179	-62.7	-60.7	0	0	0	111.1	M84 L104 D105 L111 S112 P118 F120 Y153 Y157 W165	M84-I108 HydrophobicContact CE-CD1 3.64Å; L104-I108 VanDerWaalsContact O-CG1 3.31Å; L104-I108 WeakPolarHBondContact O-CG1 3.38Å; L104-I108 PolarHBondContact O-N 3.15Å; D105-I108 PolarHBondContact O-N 3.39Å; I108-L111 HydrophobicContact CD1-CD1 4.48Å; I108-L111 PolarHBondContact O-N 2.87Å; I108-S112 WeakPolarHBondContact O-CB 3.33Å; I108-S112 PolarHBondContact O-N 2.85Å; I108-P118 HydrophobicContact CD1-CB 4.19Å; I108-P118 HydrophobicContact CD1-CG 3.93Å; I108-F120 HydrophobicContact CD1-CD2 4.32Å; I108-F120 HydrophobicContact CD1-CE2 4.06Å; I108-Y153 HydrophobicContact CB-CE1 4.26Å; I108-Y153 HydrophobicContact CG1-CE1 4.04Å; I108-Y153 HydrophobicContact CG1-CE2 4.22Å; I108-Y153 HydrophobicContact CG2-CD1 4.37Å; I108-Y153 HydrophobicContact CG2-CE1 4.34Å; I108-Y157 HydrophobicContact CB-CE2 4.41Å; I108-Y157 HydrophobicContact CG2-CD2 4.19Å; I108-Y157 HydrophobicContact CG2-CE2 3.3Å; I108-W165 HydrophobicContact CD1-CH2 4.28Å; I108-W165 HydrophobicContact CD1-CZ3 4.42Å; I108-W165 HydrophobicContact CG2-CH2 3.66Å; I108-W165 HydrophobicContact CG2-CZ2 4.02Å
109	E	98.6	Very high	98.3	Very high	87 Å²	87	34 Å²	34	41%	0.407	19%	0.186	S	C	.	.	H	α-helix	trans	-65.2	-43.9	174.4	-170.9	159.2	170.3	0	0	111.2	D105 E106 L107 L111 S112 D113 K156	D105-E109 VanDerWaalsContact O-CB 3.27Å; D105-E109 WeakPolarHBondContact O-CB 3.48Å; D105-E109 PolarHBondContact O-N 3.49Å; E106-E109 PolarHBondContact O-N 2.72Å; L107-E109 VanDerWaalsContact C-N 3.31Å; L107-E109 PolarHBondContact O-N 2.86Å; E109-L111 PolarHBondContact O-N 2.89Å; E109-S112 CarbonylContact O-C 3.52Å; E109-S112 WeakPolarHBondContact O-CA 3.4Å; E109-S112 WeakPolarHBondContact O-CB 3.43Å; E109-S112 PolarHBondContact O-N 2.86Å; E109-D113 PolarHBondContact O-N 3.17Å; E109-K156 IonicContact OE2-NZ 3.46Å; E109-K156 PolarHBondContact OE2-NZ 3.42Å
110	L	98.6	Very high	98.4	Very high	22 Å²	22	32.4 Å²	32.4	12%	0.115	18%	0.18	C	C	.	.	H	α-helix	trans	-58.1	-44.2	174.3	179.7	59.9	0	0	0	112.2	Q62 L65 E106 L107 S112 N114	Q62-L110 HydrophobicContact CB-CD1 4.36Å; Q62-L110 HydrophobicContact CG-CD1 4Å; Q62-L110 HydrophobicContact CG-CD2 3.87Å; L65-L110 HydrophobicContact CD1-CD2 3.72Å; L65-L110 HydrophobicContact CD1-CG 3.83Å; E106-L110 WeakPolarHBondContact O-CB 3.45Å; E106-L110 PolarHBondContact O-N 3.35Å; L107-L110 WeakPolarHBondContact O-CB 3.4Å; L107-L110 PolarHBondContact O-N 3.33Å; L110-S112 VanDerWaalsContact C-N 3.35Å; L110-N114 PolarHBondContact O-N 2.81Å; L110-N114 PolarHBondContact O-ND2 3.05Å
111	L	98.8	Very high	98.4	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-60.8	-46.4	173.1	-71	171.1	0	0	0	110.9	L65 V79 I81 L107 I108 E109 D113 N114 G115 L116 P118	L65-L111 HydrophobicContact CD1-CD2 3.97Å; L65-L111 HydrophobicContact CD2-CD2 3.96Å; V79-L111 HydrophobicContact CB-CD2 4.05Å; V79-L111 HydrophobicContact CG2-CD2 3.97Å; I81-L111 HydrophobicContact CD1-CD1 4.01Å; I81-L111 HydrophobicContact CD1-CD2 4.37Å; L107-L111 PolarHBondContact O-N 3.02Å; I108-L111 HydrophobicContact CD1-CD1 4.48Å; I108-L111 PolarHBondContact O-N 2.87Å; E109-L111 PolarHBondContact O-N 2.89Å; L111-D113 PolarHBondContact O-N 3.19Å; L111-N114 CarbonylContact O-C 3.58Å; L111-N114 PolarHBondContact O-N 3.23Å; L111-N114 VanDerWaalsContact O-N 3.12Å; L111-G115 PolarHBondContact O-N 2.97Å; L111-L116 CarbonylContact C-O 3.39Å; L111-L116 HydrophobicContact CB-CB 4.24Å; L111-L116 HydrophobicContact CD2-CB 4.04Å; L111-L116 HydrophobicContact CD2-CD1 4.24Å; L111-L116 WeakPolarHBondContact O-CA 3.33Å; L111-L116 WeakPolarHBondContact O-CB 3.23Å; L111-L116 PolarHBondContact O-N 3.22Å; L111-P118 HydrophobicContact CD1-CB 4Å
112	S	97.7	Very high	98.5	Very high	26 Å²	26	28.3 Å²	28.3	18%	0.182	16%	0.159	C	C	.	.	H	α-helix	trans	-59.9	-43.7	-179.1	174	0	0	0	0	113	I108 E109 L110 N114 G115 R161	I108-S112 WeakPolarHBondContact O-CB 3.33Å; I108-S112 PolarHBondContact O-N 2.85Å; E109-S112 CarbonylContact O-C 3.52Å; E109-S112 WeakPolarHBondContact O-CA 3.4Å; E109-S112 WeakPolarHBondContact O-CB 3.43Å; E109-S112 PolarHBondContact O-N 2.86Å; L110-S112 VanDerWaalsContact C-N 3.35Å; S112-N114 PolarHBondContact O-N 2.82Å; S112-G115 PolarHBondContact O-N 3.17Å; S112-R161 VanDerWaalsContact CA-NH2 3.28Å; S112-R161 VanDerWaalsContact OG-CZ 3.32Å; S112-R161 PolarHBondContact OG-NH1 2.88Å; S112-R161 PolarHBondContact OG-NH2 3.16Å
113	D	96.7	Very high	98.5	Very high	91 Å²	91	25 Å²	25	49%	0.487	14%	0.139	S	C	.	.	H	α-helix	trans	-64.4	-20.1	179.2	-74.6	-7.4	0	0	0	113.1	E109 L111 R544	E109-D113 PolarHBondContact O-N 3.17Å; L111-D113 PolarHBondContact O-N 3.19Å; D113-R544 PolarHBondContact O-NE 3.14Å; D113-R544 PolarHBondContact O-NH2 2.84Å
114	N	98.3	Very high	98.4	Very high	10 Å²	10	21.7 Å²	21.7	5%	0.053	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	7.3	174.9	-69.7	-68.7	0	0	0	112.9	L65 A66 G69 L110 L111 S112 L116 R544	L65-N114 PolarHBondContact O-OD1 3.35Å; A66-N114 WeakPolarHBondContact CA-OD1 3.41Å; A66-N114 PolarHBondContact N-OD1 3.43Å; G69-N114 WeakPolarHBondContact CA-O 3.46Å; L110-N114 PolarHBondContact O-N 2.81Å; L110-N114 PolarHBondContact O-ND2 3.05Å; L111-N114 CarbonylContact O-C 3.58Å; L111-N114 PolarHBondContact O-N 3.23Å; L111-N114 VanDerWaalsContact O-N 3.12Å; S112-N114 PolarHBondContact O-N 2.82Å; N114-L116 HydrophobicContact CB-CD1 3.87Å; N114-L116 HydrophobicContact CB-CG 4.07Å; N114-L116 PolarHBondContact O-N 3.2Å; N114-R544 VanDerWaalsContact CG-NH2 3.33Å; N114-R544 PolarHBondContact OD1-NH2 2.91Å
115	G	97	Very high	98.3	Very high	58 Å²	58	21.9 Å²	21.9	60%	0.598	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.8	18.6	-177.3	0	0	0	0	0	113.7	L111 S112	L111-G115 PolarHBondContact O-N 2.97Å; S112-G115 PolarHBondContact O-N 3.17Å
116	L	98.6	Very high	98.2	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.021	12%	0.122	C	C	.	.			trans	-101.8	163.6	-177.9	-57.7	169.7	0	0	0	111.2	L65 V68 I76 Q77 V79 L111 N114	L65-L116 HydrophobicContact CB-CD1 4.44Å; L65-L116 HydrophobicContact CD2-CD1 4.2Å; V68-L116 HydrophobicContact CB-CD1 4.17Å; V68-L116 HydrophobicContact CG1-CD1 3.89Å; V68-L116 HydrophobicContact CG1-CD2 4.02Å; I76-L116 HydrophobicContact CG2-CD2 4.4Å; Q77-L116 CarbonylContact O-C 3.57Å; Q77-L116 WeakPolarHBondContact O-CA 3.46Å; V79-L116 HydrophobicContact CG2-CB 4.41Å; V79-L116 HydrophobicContact CG2-CD1 3.84Å; V79-L116 HydrophobicContact CG2-CD2 4.43Å; V79-L116 HydrophobicContact CG2-CG 4.45Å; L111-L116 CarbonylContact C-O 3.39Å; L111-L116 HydrophobicContact CB-CB 4.24Å; L111-L116 HydrophobicContact CD2-CB 4.04Å; L111-L116 HydrophobicContact CD2-CD1 4.24Å; L111-L116 WeakPolarHBondContact O-CA 3.33Å; L111-L116 WeakPolarHBondContact O-CB 3.23Å; L111-L116 PolarHBondContact O-N 3.22Å; N114-L116 HydrophobicContact CB-CD1 3.87Å; N114-L116 HydrophobicContact CB-CG 4.07Å; N114-L116 PolarHBondContact O-N 3.2Å
117	Q	98.4	Very high	97.9	Very high	33 Å²	33	18.8 Å²	18.8	15%	0.154	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	152.5	172	58.5	172.8	58.3	0	0	111.1	Q77 Q78 V79 Q164	Q77-Q117 VanDerWaalsContact O-CG 3.28Å; Q77-Q117 WeakPolarHBondContact O-CG 3.34Å; Q77-Q117 PolarHBondContact O-N 3.41Å; Q78-Q117 WeakPolarHBondContact CA-O 3.37Å; Q78-Q117 HydrophobicContact CB-CG 4.46Å; V79-Q117 PolarHBondContact N-O 3.46Å; Q117-Q164 PolarHBondContact NE2-O 2.88Å
118	P	98.7	Very high	97.8	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.013	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.6	176.8	32.1	-36.7	0	0	0	111.4	V79 M84 I108 L111 F120 W165	V79-P118 CarbonylContact O-C 3.57Å; V79-P118 WeakPolarHBondContact O-CA 3.25Å; M84-P118 HydrophobicContact CE-CB 4.09Å; M84-P118 HydrophobicContact SD-CB 4.41Å; I108-P118 HydrophobicContact CD1-CB 4.19Å; I108-P118 HydrophobicContact CD1-CG 3.93Å; L111-P118 HydrophobicContact CD1-CB 4Å; P118-F120 HydrophobicContact CB-CB 4.14Å; P118-F120 HydrophobicContact CB-CD2 4.14Å; P118-F120 HydrophobicContact CG-CB 4.28Å; P118-F120 HydrophobicContact CG-CD2 3.9Å; P118-F120 PolarHBondContact O-N 2.93Å; P118-W165 HydrophobicContact CG-CD2 3.5Å; P118-W165 VanDerWaalsContact CG-CD2 3.5Å; P118-W165 HydrophobicContact CG-CE3 3.57Å; P118-W165 HydrophobicContact CG-CG 3.95Å; P118-W165 HydrophobicContact CG-CH2 4.26Å; P118-W165 HydrophobicContact CG-CZ2 4.19Å; P118-W165 HydrophobicContact CG-CZ3 3.96Å
119	G	98.8	Very high	97.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	99.5	143.1	0	0	0	0	0	105.6	V79 I81 E121	V79-G119 PolarHBondContact O-N 2.98Å; I81-G119 PolarHBondContact N-O 3.11Å; G119-E121 PolarHBondContact O-N 2.86Å
120	F	98.9	Very high	97.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	85.5	-163.3	-160.1	-56.8	0	0	0	109.5	M84 L85 L104 I108 P118 L122 I149 Y153 W165 N166 F167 E168	M84-F120 HydrophobicContact CE-CD2 3.91Å; M84-F120 HydrophobicContact CE-CE2 3.88Å; M84-F120 HydrophobicContact CE-CG 4.31Å; M84-F120 HydrophobicContact CE-CZ 4.24Å; M84-F120 HydrophobicContact SD-CD1 4.49Å; M84-F120 HydrophobicContact SD-CG 4.34Å; L85-F120 HydrophobicContact CD2-CE1 4.11Å; L104-F120 HydrophobicContact CD2-CZ 4.13Å; I108-F120 HydrophobicContact CD1-CD2 4.32Å; I108-F120 HydrophobicContact CD1-CE2 4.06Å; P118-F120 HydrophobicContact CB-CB 4.14Å; P118-F120 HydrophobicContact CB-CD2 4.14Å; P118-F120 HydrophobicContact CG-CB 4.28Å; P118-F120 HydrophobicContact CG-CD2 3.9Å; P118-F120 PolarHBondContact O-N 2.93Å; F120-L122 HydrophobicContact CD1-CD2 4Å; F120-L122 HydrophobicContact CE1-CD2 3.88Å; F120-L122 PolarHBondContact O-N 2.84Å; F120-I149 HydrophobicContact CE1-CG2 4.08Å; F120-I149 HydrophobicContact CE2-CG2 4.16Å; F120-I149 HydrophobicContact CZ-CG2 3.52Å; F120-Y153 HydrophobicContact CE2-CD2 4.2Å; F120-Y153 AromaticContact CE2-CE2 3.95Å; F120-Y153 HydrophobicContact CE2-CE2 3.95Å; F120-Y153 HydrophobicContact CZ-CE2 4.27Å; F120-W165 AromaticContact CD2-CE3 3.77Å; F120-W165 HydrophobicContact CD2-CE3 3.77Å; F120-W165 AromaticContact CD2-CZ3 3.8Å; F120-W165 HydrophobicContact CD2-CZ3 3.8Å; F120-W165 HydrophobicContact CE2-CE3 4.41Å; F120-W165 AromaticContact CE2-CZ3 4Å; F120-W165 HydrophobicContact CE2-CZ3 4Å; F120-N166 PolarHBondContact N-O 3.46Å; F120-F167 HydrophobicContact CB-CD1 3.76Å; F120-F167 HydrophobicContact CB-CE1 4.03Å; F120-F167 HydrophobicContact CB-CG 4.35Å; F120-F167 AromaticContact CD1-CD1 3.81Å; F120-F167 HydrophobicContact CD1-CD1 3.81Å; F120-F167 AromaticContact CD1-CE1 3.93Å; F120-F167 HydrophobicContact CD1-CE1 3.93Å; F120-F167 HydrophobicContact CD2-CD1 4.44Å; F120-F167 AromaticContact CD2-CE1 3.92Å; F120-F167 HydrophobicContact CD2-CE1 3.92Å; F120-F167 HydrophobicContact CE1-CE1 4.4Å; F120-F167 HydrophobicContact CE2-CE1 4.38Å; F120-F167 AromaticContact CG-CD1 3.74Å; F120-F167 HydrophobicContact CG-CD1 3.74Å; F120-F167 AromaticContact CG-CE1 3.68Å; F120-F167 HydrophobicContact CG-CE1 3.68Å; F120-F167 CarbonylContact O-C 3.37Å; F120-F167 VanDerWaalsContact O-CA 3.31Å; F120-F167 WeakPolarHBondContact O-CA 3.27Å; F120-E168 PolarHBondContact O-N 3.42Å
121	E	98.9	Very high	97.5	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	125	172.8	-63	179.3	88.9	0	0	109.7	R80 I81 H82 G119 M123 E168 N171	R80-E121 HydrophobicContact CG-CG 4.13Å; R80-E121 WeakPolarHBondContact CG-OE2 3.04Å; R80-E121 IonicContact CZ-OE1 3.17Å; R80-E121 IonicContact CZ-OE2 2.74Å; R80-E121 IonicContact NE-OE1 3.23Å; R80-E121 IonicContact NE-OE2 3.64Å; R80-E121 IonicContact NH1-OE1 3.33Å; R80-E121 IonicContact NH2-OE1 3.25Å; R80-E121 PolarHBondContact NH2-OE1 3.24Å; R80-E121 IonicContact NH2-OE2 3Å; I81-E121 VanDerWaalsContact C-OE2 3.23Å; H82-E121 IonicContact CE1-OE1 3.33Å; H82-E121 IonicContact CE1-OE2 2.69Å; H82-E121 IonicContact CG-OE2 3.92Å; H82-E121 PolarHBondContact N-OE2 2.94Å; H82-E121 IonicContact ND1-OE1 2.67Å; H82-E121 IonicContact ND1-OE2 2.98Å; H82-E121 PolarHBondContact ND1-OE2 2.85Å; G119-E121 PolarHBondContact O-N 2.86Å; E121-M123 HydrophobicContact CB-CB 4.01Å; E121-M123 PolarHBondContact O-N 2.84Å; E121-E168 HydrophobicContact CG-CB 4.11Å; E121-N171 WeakPolarHBondContact OE1-CB 3.28Å
122	L	98.8	Very high	97.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.153	C	C	.	.			trans	-77.9	55.9	175.7	-66.3	170.7	0	0	0	109.9	L85 F120 W142 V146 F167 E168 Y191 C195 L199 F208	L85-L122 VanDerWaalsContact CD1-C 3.44Å; L85-L122 HydrophobicContact CD1-CB 4.32Å; F120-L122 HydrophobicContact CD1-CD2 4Å; F120-L122 HydrophobicContact CE1-CD2 3.88Å; F120-L122 PolarHBondContact O-N 2.84Å; L122-W142 VanDerWaalsContact O-CZ2 3.32Å; L122-W142 WeakPolarHBondContact O-CZ2 3.21Å; L122-V146 HydrophobicContact CD1-CG1 4.03Å; L122-V146 HydrophobicContact CD1-CG2 4.15Å; L122-V146 HydrophobicContact CD2-CG1 4.41Å; L122-V146 HydrophobicContact CD2-CG2 4.17Å; L122-F167 HydrophobicContact CD2-CD1 4.37Å; L122-E168 PolarHBondContact N-O 3.49Å; L122-Y191 WeakPolarHBondContact CB-OH 3.5Å; L122-Y191 PolarHBondContact O-OH 2.94Å; L122-C195 HydrophobicContact CD1-CB 3.61Å; L122-C195 WeakPolarHBondContact CD1-SG 3.35Å; L122-L199 HydrophobicContact CD1-CD1 4.31Å; L122-F208 HydrophobicContact CD1-CD2 4.41Å; L122-F208 HydrophobicContact CD1-CE2 3.96Å
123	M	98.6	Very high	97.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.145	C	C	.	.			trans	-112.9	123.4	-167.2	-175.6	-177.4	-172.8	0	0	111.2	H82 W83 L85 E121 W170 N171	H82-M123 HydrophobicContact CB-CE 4.38Å; H82-M123 HydrophobicContact CB-SD 3.69Å; W83-M123 CarbonylContact C-O 3.59Å; W83-M123 WeakPolarHBondContact CA-O 3.21Å; W83-M123 HydrophobicContact CD2-CE 3.73Å; W83-M123 HydrophobicContact CD2-CG 4.14Å; W83-M123 HydrophobicContact CD2-SD 4.21Å; W83-M123 HydrophobicContact CE3-CE 4.35Å; W83-M123 HydrophobicContact CE3-CG 4.13Å; W83-M123 HydrophobicContact CG-CE 4.2Å; W83-M123 HydrophobicContact CG-SD 4.28Å; W83-M123 HydrophobicContact CH2-CE 4.17Å; W83-M123 HydrophobicContact CZ2-CE 3.48Å; W83-M123 VanDerWaalsContact CZ2-CE 3.48Å; W83-M123 PolarHBondContact N-SD 2.7Å; W83-M123 VanDerWaalsContact N-SD 3.43Å; L85-M123 VanDerWaalsContact CB-O 3.26Å; L85-M123 WeakPolarHBondContact CB-O 3.5Å; L85-M123 PolarHBondContact N-O 2.83Å; E121-M123 HydrophobicContact CB-CB 4.01Å; E121-M123 PolarHBondContact O-N 2.84Å; M123-W170 HydrophobicContact CB-CD2 4.44Å; M123-W170 HydrophobicContact CB-CG 4.41Å; M123-W170 HydrophobicContact CG-CD2 3.82Å; M123-W170 HydrophobicContact CG-CG 3.84Å; M123-W170 HydrophobicContact CG-CZ2 4.34Å; M123-N171 HydrophobicContact CE-CB 3.88Å; M123-N171 HydrophobicContact SD-CB 3.8Å
124	G	98	Very high	97.4	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.			trans	144.4	168.3	175.3	0	0	0	0	0	114	W142	G124-W142 WeakPolarHBondContact O-CH2 3.45Å; G124-W142 VanDerWaalsContact O-CZ3 3.31Å; G124-W142 WeakPolarHBondContact O-CZ3 3.4Å
125	S	96.9	Very high	97.4	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.021	16%	0.161	C	C	.	.			trans	-103	-12.9	-177	72.1	0	0	0	0	113.8	E86 N128 Y129 F130	E86-S125 WeakPolarHBondContact OE1-CA 3.46Å; E86-S125 WeakPolarHBondContact OE1-CB 3.28Å; E86-S125 PolarHBondContact OE1-N 3.21Å; E86-S125 PolarHBondContact OE1-OG 2.96Å; S125-N128 WeakPolarHBondContact OG-CA 3.41Å; S125-N128 PolarHBondContact OG-N 3.28Å; S125-Y129 PolarHBondContact O-N 3.03Å; S125-Y129 VanDerWaalsContact O-N 3.11Å; S125-F130 WeakPolarHBondContact O-CD2 3.36Å; S125-F130 PolarHBondContact O-N 3.11Å
126	V	96.7	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	81.7	-178.9	-171.6	0	0	0	0	111.6	L85 V88 L90 Y99 N128 Y129 F130 L145	L85-V126 HydrophobicContact CB-CG2 4.11Å; V88-V126 HydrophobicContact CB-CG1 4.05Å; V88-V126 HydrophobicContact CB-CG2 4.47Å; V88-V126 HydrophobicContact CG1-CG1 3.9Å; V88-V126 WeakPolarHBondContact O-CG1 3.25Å; L90-V126 HydrophobicContact CB-CG1 4.09Å; Y99-V126 HydrophobicContact CD1-CG1 4.02Å; Y99-V126 HydrophobicContact CE1-CG1 3.97Å; V126-N128 PolarHBondContact O-N 2.65Å; V126-Y129 VanDerWaalsContact O-CB 3.23Å; V126-Y129 WeakPolarHBondContact O-CB 3.44Å; V126-Y129 PolarHBondContact O-N 3.14Å; V126-F130 HydrophobicContact CB-CD2 4Å; V126-F130 HydrophobicContact CB-CE2 4.1Å; V126-F130 HydrophobicContact CG2-CD2 4.01Å; V126-F130 HydrophobicContact CG2-CE2 3.99Å; V126-L145 HydrophobicContact CG2-CD2 3.67Å
127	S	92.5	Very high	97.3	Very high	54 Å²	54	35.1 Å²	35.1	38%	0.378	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	33.2	-176.3	-52.5	0	0	0	0	113.5	T89 L90 Y129	T89-S127 WeakPolarHBondContact CA-OG 3.43Å; L90-S127 PolarHBondContact N-OG 3.16Å; S127-Y129 PolarHBondContact O-N 3.49Å
128	N	94.6	Very high	97.3	Very high	74 Å²	74	34.9 Å²	34.9	40%	0.396	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	24.8	-173.4	-53.9	-80	0	0	0	114.3	S125 V126 T131	S125-N128 WeakPolarHBondContact OG-CA 3.41Å; S125-N128 PolarHBondContact OG-N 3.28Å; V126-N128 PolarHBondContact O-N 2.65Å; N128-T131 WeakPolarHBondContact O-CG2 3.5Å
129	Y	95.6	Very high	97.3	Very high	65 Å²	65	34.8 Å²	34.8	26%	0.255	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-42.3	177.7	176.3	-98.2	0	0	0	111.6	L90 H92 S125 V126 S127 E141	L90-Y129 HydrophobicContact CD1-CD1 3.71Å; L90-Y129 HydrophobicContact CD1-CD2 3.72Å; L90-Y129 HydrophobicContact CD1-CE1 4.06Å; L90-Y129 HydrophobicContact CD1-CE2 4.05Å; L90-Y129 HydrophobicContact CD1-CG 3.51Å; L90-Y129 HydrophobicContact CD2-CD2 3.74Å; L90-Y129 HydrophobicContact CD2-CE2 4.23Å; L90-Y129 HydrophobicContact CD2-CG 4.22Å; L90-Y129 HydrophobicContact CG-CD2 4.39Å; L90-Y129 HydrophobicContact CG-CG 4.43Å; H92-Y129 AromaticContact CE1-CE2 3.95Å; H92-Y129 AromaticContact NE2-CE2 3.76Å; S125-Y129 PolarHBondContact O-N 3.03Å; S125-Y129 VanDerWaalsContact O-N 3.11Å; V126-Y129 VanDerWaalsContact O-CB 3.23Å; V126-Y129 WeakPolarHBondContact O-CB 3.44Å; V126-Y129 PolarHBondContact O-N 3.14Å; S127-Y129 PolarHBondContact O-N 3.49Å; Y129-E141 HydrophobicContact CE1-CB 4.44Å; Y129-E141 HydrophobicContact CE1-CG 3.85Å
130	F	97.2	Very high	97.3	Very high	2 Å²	2	38 Å²	38	1%	0.009	21%	0.206	C	C	.	.			trans	-86.7	120.4	174.3	-60.8	-78.9	0	0	0	109.3	S125 V126 L133 Q138 E141 W142 L145 V181	S125-F130 WeakPolarHBondContact O-CD2 3.36Å; S125-F130 PolarHBondContact O-N 3.11Å; V126-F130 HydrophobicContact CB-CD2 4Å; V126-F130 HydrophobicContact CB-CE2 4.1Å; V126-F130 HydrophobicContact CG2-CD2 4.01Å; V126-F130 HydrophobicContact CG2-CE2 3.99Å; F130-L133 HydrophobicContact CD1-CD2 4.37Å; F130-Q138 VanDerWaalsContact CA-OE1 3.28Å; F130-Q138 HydrophobicContact CD1-CB 4.2Å; F130-Q138 WeakPolarHBondContact CE1-O 3.44Å; F130-E141 HydrophobicContact CE1-CB 4.07Å; F130-E141 HydrophobicContact CE1-CG 4.25Å; F130-E141 HydrophobicContact CZ-CB 4.4Å; F130-E141 HydrophobicContact CZ-CG 4.12Å; F130-W142 HydrophobicContact CB-CE3 4.12Å; F130-W142 HydrophobicContact CB-CZ3 4.05Å; F130-W142 HydrophobicContact CD1-CB 4.46Å; F130-W142 AromaticContact CD1-CE3 3.62Å; F130-W142 HydrophobicContact CD1-CE3 3.62Å; F130-W142 HydrophobicContact CD1-CZ3 4.33Å; F130-W142 AromaticContact CD2-CE3 3.55Å; F130-W142 HydrophobicContact CD2-CE3 3.55Å; F130-W142 AromaticContact CD2-CZ3 3.52Å; F130-W142 HydrophobicContact CD2-CZ3 3.52Å; F130-W142 HydrophobicContact CE1-CB 3.93Å; F130-W142 AromaticContact CE1-CE3 3.78Å; F130-W142 HydrophobicContact CE1-CE3 3.78Å; F130-W142 AromaticContact CE2-CE3 3.73Å; F130-W142 HydrophobicContact CE2-CE3 3.73Å; F130-W142 AromaticContact CE2-CZ3 3.98Å; F130-W142 HydrophobicContact CE2-CZ3 3.98Å; F130-W142 AromaticContact CG-CE3 3.48Å; F130-W142 HydrophobicContact CG-CE3 3.48Å; F130-W142 VanDerWaalsContact CG-CE3 3.48Å; F130-W142 AromaticContact CG-CZ3 3.71Å; F130-W142 HydrophobicContact CG-CZ3 3.71Å; F130-W142 HydrophobicContact CZ-CB 4.4Å; F130-W142 AromaticContact CZ-CE3 3.82Å; F130-W142 HydrophobicContact CZ-CE3 3.82Å; F130-L145 HydrophobicContact CE2-CD2 3.73Å; F130-L145 HydrophobicContact CZ-CD2 4.2Å; F130-V181 WeakPolarHBondContact O-CG2 3.36Å
131	T	97.4	Very high	97.2	Very high	59 Å²	59	39.6 Å²	39.6	36%	0.362	21%	0.214	S	C	.	.			trans	-130.8	-22.7	-174.3	62.5	0	0	0	0	112.9	N128 Q138 T182	N128-T131 WeakPolarHBondContact O-CG2 3.5Å; T131-Q138 PolarHBondContact OG1-NE2 3.21Å; T131-T182 PolarHBondContact O-N 2.84Å
132	D	97.6	Very high	97.2	Very high	55 Å²	55	39.6 Å²	39.6	29%	0.294	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-153.4	113.2	-176.7	-177.5	-0.2	0	0	0	110.3	E134 D135 Q138	D132-E134 VanDerWaalsContact C-N 3.31Å; D132-E134 WeakPolarHBondContact OD1-CB 3.31Å; D132-E134 PolarHBondContact OD1-N 2.86Å; D132-D135 WeakPolarHBondContact O-CB 3.45Å; D132-D135 PolarHBondContact O-N 3.5Å; D132-Q138 WeakPolarHBondContact O-CB 3.24Å; D132-Q138 PolarHBondContact O-OE1 3.17Å
133	L	96.1	Very high	97.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	16.3	179.8	-60.1	-174.5	0	0	0	113.6	F130 Q138 V139 M183 G187 N190 Y191	F130-L133 HydrophobicContact CD1-CD2 4.37Å; L133-Q138 HydrophobicContact CD2-CB 4.21Å; L133-V139 WeakPolarHBondContact O-CG2 3.25Å; L133-M183 HydrophobicContact CB-SD 4.38Å; L133-M183 HydrophobicContact CD1-CE 3.7Å; L133-M183 HydrophobicContact CD1-SD 4.16Å; L133-M183 HydrophobicContact CG-CE 4.43Å; L133-G187 WeakPolarHBondContact O-CA 3.23Å; L133-N190 WeakPolarHBondContact O-CB 3.22Å; L133-N190 PolarHBondContact O-ND2 3.39Å; L133-Y191 HydrophobicContact CD1-CD2 3.6Å; L133-Y191 HydrophobicContact CD1-CG 3.92Å
134	E	97.6	Very high	97.2	Very high	104 Å²	104	46.5 Å²	46.5	49%	0.486	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-19.5	155.2	-64.9	-167.1	-137.6	0	0	112.5	D132 K136 S184	D132-E134 VanDerWaalsContact C-N 3.31Å; D132-E134 WeakPolarHBondContact OD1-CB 3.31Å; D132-E134 PolarHBondContact OD1-N 2.86Å; E134-K136 PolarHBondContact O-N 3.26Å; E134-S184 WeakPolarHBondContact OE1-CB 2.97Å; E134-S184 PolarHBondContact OE1-OG 3.35Å
135	D	98.2	Very high	97.2	Very high	71 Å²	71	46.5 Å²	46.5	38%	0.38	24%	0.244	S	C	.	.	S	Bend	trans	-68.2	119.7	173.6	-178.9	-83.6	0	0	0	110.8	D132 A137 Q138 V139	D132-D135 WeakPolarHBondContact O-CB 3.45Å; D132-D135 PolarHBondContact O-N 3.5Å; D135-A137 VanDerWaalsContact C-N 3.28Å; D135-A137 PolarHBondContact O-N 3.39Å; D135-A137 WeakPolarHBondContact OD1-CA 3.32Å; D135-A137 VanDerWaalsContact OD1-CB 3.28Å; D135-A137 WeakPolarHBondContact OD1-CB 3.39Å; D135-A137 PolarHBondContact OD1-N 3.37Å; D135-Q138 HydrophobicContact CB-CB 4.21Å; D135-Q138 HydrophobicContact CB-CG 4.09Å; D135-Q138 PolarHBondContact O-N 3.25Å; D135-Q138 VanDerWaalsContact O-N 3.13Å; D135-Q138 PolarHBondContact OD1-N 2.98Å; D135-V139 WeakPolarHBondContact O-CG2 3.27Å; D135-V139 PolarHBondContact O-N 3.25Å
136	K	97.8	Very high	97.3	Very high	144 Å²	144	46.4 Å²	46.4	63%	0.626	24%	0.243	S	C	*	.	H	α-helix	trans	-58.9	-36.4	-176.4	176	168.4	-176.7	178.1	0	113.2	E134 V140 Y237	E134-K136 PolarHBondContact O-N 3.26Å; K136-V140 VanDerWaalsContact O-CG2 3.3Å; K136-V140 WeakPolarHBondContact O-CG2 3.26Å; K136-V140 PolarHBondContact O-N 3.09Å; K136-V140 VanDerWaalsContact O-N 3.14Å; K136-Y237 WeakPolarHBondContact CB-OH 3.32Å; K136-Y237 WeakPolarHBondContact CG-OH 3.4Å
137	A	96.5	Very high	97.4	Very high	70 Å²	70	50.3 Å²	50.3	58%	0.579	26%	0.259	S	S	*	.	H	α-helix	trans	-69.7	-40.4	180	0	0	0	0	0	110.4	D135 V140 E141	D135-A137 VanDerWaalsContact C-N 3.28Å; D135-A137 PolarHBondContact O-N 3.39Å; D135-A137 WeakPolarHBondContact OD1-CA 3.32Å; D135-A137 VanDerWaalsContact OD1-CB 3.28Å; D135-A137 WeakPolarHBondContact OD1-CB 3.39Å; D135-A137 PolarHBondContact OD1-N 3.37Å; A137-V140 PolarHBondContact O-N 2.71Å; A137-E141 WeakPolarHBondContact O-CB 3.11Å; A137-E141 PolarHBondContact O-N 3.12Å
138	Q	97.4	Very high	97.7	Very high	28 Å²	28	50.7 Å²	50.7	13%	0.131	26%	0.256	C	S	.	.	H	α-helix	trans	-65.5	-41.9	175	-64.9	-161.8	26.1	0	0	112.7	F130 T131 D132 L133 D135 V140 E141 W142	F130-Q138 VanDerWaalsContact CA-OE1 3.28Å; F130-Q138 HydrophobicContact CD1-CB 4.2Å; F130-Q138 WeakPolarHBondContact CE1-O 3.44Å; T131-Q138 PolarHBondContact OG1-NE2 3.21Å; D132-Q138 WeakPolarHBondContact O-CB 3.24Å; D132-Q138 PolarHBondContact O-OE1 3.17Å; L133-Q138 HydrophobicContact CD2-CB 4.21Å; D135-Q138 HydrophobicContact CB-CB 4.21Å; D135-Q138 HydrophobicContact CB-CG 4.09Å; D135-Q138 PolarHBondContact O-N 3.25Å; D135-Q138 VanDerWaalsContact O-N 3.13Å; D135-Q138 PolarHBondContact OD1-N 2.98Å; Q138-V140 VanDerWaalsContact C-N 3.35Å; Q138-V140 PolarHBondContact O-N 2.96Å; Q138-E141 PolarHBondContact O-N 3.17Å; Q138-W142 WeakPolarHBondContact O-CB 3.48Å; Q138-W142 PolarHBondContact O-N 3.45Å
139	V	98.6	Very high	97.9	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-60.6	-43.2	176.3	173.4	0	0	0	0	111.6	L133 D135 W142 R143 N190 A194 Y237 F238	L133-V139 WeakPolarHBondContact O-CG2 3.25Å; D135-V139 WeakPolarHBondContact O-CG2 3.27Å; D135-V139 PolarHBondContact O-N 3.25Å; V139-W142 PolarHBondContact O-N 3.36Å; V139-R143 PolarHBondContact O-N 2.87Å; V139-N190 HydrophobicContact CG1-CB 4.14Å; V139-N190 HydrophobicContact CG2-CB 3.8Å; V139-A194 HydrophobicContact CG1-CB 4.31Å; V139-Y237 HydrophobicContact CB-CE1 4.45Å; V139-Y237 HydrophobicContact CG1-CD1 3.87Å; V139-Y237 HydrophobicContact CG1-CE1 3.68Å; V139-Y237 HydrophobicContact CG1-CG 4.39Å; V139-F238 HydrophobicContact CG1-CE2 4.15Å; V139-F238 HydrophobicContact CG1-CZ 3.71Å
140	V	98.4	Very high	98	Very high	66 Å²	66	44 Å²	44	40%	0.4	23%	0.225	S	C	.	.	H	α-helix	trans	-67.4	-41.8	177.2	171.7	0	0	0	0	111.7	K136 A137 Q138 W142 R143 N144 F238	K136-V140 VanDerWaalsContact O-CG2 3.3Å; K136-V140 WeakPolarHBondContact O-CG2 3.26Å; K136-V140 PolarHBondContact O-N 3.09Å; K136-V140 VanDerWaalsContact O-N 3.14Å; A137-V140 PolarHBondContact O-N 2.71Å; Q138-V140 VanDerWaalsContact C-N 3.35Å; Q138-V140 PolarHBondContact O-N 2.96Å; V140-W142 VanDerWaalsContact C-N 3.35Å; V140-R143 PolarHBondContact O-N 3.3Å; V140-N144 PolarHBondContact O-N 3.26Å; V140-N144 VanDerWaalsContact O-N 3.17Å; V140-F238 HydrophobicContact CG2-CE1 4.22Å
141	E	97.7	Very high	98.1	Very high	34 Å²	34	47.6 Å²	47.6	16%	0.159	24%	0.241	C	C	.	.	H	α-helix	trans	-69.6	-33.9	178.4	-169.2	59.6	-131	0	0	111.7	P97 Y99 Y129 F130 A137 Q138 R143 N144 L145	P97-E141 HydrophobicContact CG-CG 4.31Å; Y99-E141 VanDerWaalsContact OH-CG 3.3Å; Y99-E141 WeakPolarHBondContact OH-CG 3.37Å; Y99-E141 PolarHBondContact OH-OE1 2.85Å; Y129-E141 HydrophobicContact CE1-CB 4.44Å; Y129-E141 HydrophobicContact CE1-CG 3.85Å; F130-E141 HydrophobicContact CE1-CB 4.07Å; F130-E141 HydrophobicContact CE1-CG 4.25Å; F130-E141 HydrophobicContact CZ-CB 4.4Å; F130-E141 HydrophobicContact CZ-CG 4.12Å; A137-E141 WeakPolarHBondContact O-CB 3.11Å; A137-E141 PolarHBondContact O-N 3.12Å; Q138-E141 PolarHBondContact O-N 3.17Å; E141-R143 PolarHBondContact O-N 3.28Å; E141-N144 WeakPolarHBondContact O-CB 3.24Å; E141-N144 PolarHBondContact O-N 3.14Å; E141-N144 VanDerWaalsContact O-N 3.15Å; E141-N144 PolarHBondContact OE1-ND2 2.7Å; E141-L145 PolarHBondContact O-N 2.82Å
142	W	98.7	Very high	98.2	Very high	1 Å²	1	49.7 Å²	49.7	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-60.7	-46.5	173.6	-170.9	-89.6	0	0	0	111.2	L85 L122 G124 F130 Q138 V139 V140 N144 L145 V146 Y191 A194 C195	L85-W142 HydrophobicContact CD1-CH2 3.43Å; L85-W142 VanDerWaalsContact CD1-CH2 3.43Å; L85-W142 HydrophobicContact CD1-CZ2 3.47Å; L85-W142 VanDerWaalsContact CD1-CZ2 3.47Å; L85-W142 HydrophobicContact CD1-CZ3 4.49Å; L122-W142 VanDerWaalsContact O-CZ2 3.32Å; L122-W142 WeakPolarHBondContact O-CZ2 3.21Å; G124-W142 WeakPolarHBondContact O-CH2 3.45Å; G124-W142 VanDerWaalsContact O-CZ3 3.31Å; G124-W142 WeakPolarHBondContact O-CZ3 3.4Å; F130-W142 HydrophobicContact CB-CE3 4.12Å; F130-W142 HydrophobicContact CB-CZ3 4.05Å; F130-W142 HydrophobicContact CD1-CB 4.46Å; F130-W142 AromaticContact CD1-CE3 3.62Å; F130-W142 HydrophobicContact CD1-CE3 3.62Å; F130-W142 HydrophobicContact CD1-CZ3 4.33Å; F130-W142 AromaticContact CD2-CE3 3.55Å; F130-W142 HydrophobicContact CD2-CE3 3.55Å; F130-W142 AromaticContact CD2-CZ3 3.52Å; F130-W142 HydrophobicContact CD2-CZ3 3.52Å; F130-W142 HydrophobicContact CE1-CB 3.93Å; F130-W142 AromaticContact CE1-CE3 3.78Å; F130-W142 HydrophobicContact CE1-CE3 3.78Å; F130-W142 AromaticContact CE2-CE3 3.73Å; F130-W142 HydrophobicContact CE2-CE3 3.73Å; F130-W142 AromaticContact CE2-CZ3 3.98Å; F130-W142 HydrophobicContact CE2-CZ3 3.98Å; F130-W142 AromaticContact CG-CE3 3.48Å; F130-W142 HydrophobicContact CG-CE3 3.48Å; F130-W142 VanDerWaalsContact CG-CE3 3.48Å; F130-W142 AromaticContact CG-CZ3 3.71Å; F130-W142 HydrophobicContact CG-CZ3 3.71Å; F130-W142 HydrophobicContact CZ-CB 4.4Å; F130-W142 AromaticContact CZ-CE3 3.82Å; F130-W142 HydrophobicContact CZ-CE3 3.82Å; Q138-W142 WeakPolarHBondContact O-CB 3.48Å; Q138-W142 PolarHBondContact O-N 3.45Å; V139-W142 PolarHBondContact O-N 3.36Å; V140-W142 VanDerWaalsContact C-N 3.35Å; W142-N144 VanDerWaalsContact C-N 3.26Å; W142-N144 PolarHBondContact O-N 2.94Å; W142-L145 WeakPolarHBondContact O-CB 3.32Å; W142-L145 PolarHBondContact O-N 3.22Å; W142-V146 WeakPolarHBondContact O-CG2 3.49Å; W142-V146 PolarHBondContact O-N 2.88Å; W142-Y191 HydrophobicContact CD2-CD2 4.38Å; W142-Y191 AromaticContact CE2-CD2 3.72Å; W142-Y191 AromaticContact CE2-CE2 3.51Å; W142-Y191 HydrophobicContact CH2-CE2 4.44Å; W142-Y191 HydrophobicContact CZ2-CD2 4.09Å; W142-Y191 AromaticContact CZ2-CE2 3.49Å; W142-Y191 HydrophobicContact CZ2-CE2 3.49Å; W142-Y191 VanDerWaalsContact CZ2-CE2 3.49Å; W142-Y191 AromaticContact NE1-CD2 3.46Å; W142-Y191 AromaticContact NE1-CE2 3.36Å; W142-A194 HydrophobicContact CB-CB 4.26Å; W142-A194 HydrophobicContact CG-CB 4.36Å; W142-C195 PolarHBondContact NE1-SG 2.85Å
143	R	98.8	Very high	98.2	Very high	83 Å²	83	47.1 Å²	47.1	31%	0.313	23%	0.228	S	C	.	.	H	α-helix	trans	-56.7	-41.5	173.9	178.6	179.4	170.2	-89.8	-1.4	111.8	V139 V140 E141 Y147 A194 E197 G198 F238	V139-R143 PolarHBondContact O-N 2.87Å; V140-R143 PolarHBondContact O-N 3.3Å; E141-R143 PolarHBondContact O-N 3.28Å; R143-Y147 PolarHBondContact O-N 2.75Å; R143-A194 WeakPolarHBondContact CA-O 3.37Å; R143-A194 HydrophobicContact CB-CB 3.93Å; R143-E197 HydrophobicContact CG-CB 4.45Å; R143-G198 WeakPolarHBondContact O-CA 3.33Å; R143-F238 HydrophobicContact CB-CE1 4.09Å; R143-F238 HydrophobicContact CB-CZ 3.77Å; R143-F238 HydrophobicContact CG-CE1 4.32Å; R143-F238 HydrophobicContact CG-CZ 4.23Å
144	N	98.3	Very high	98.4	Very high	62 Å²	62	48.1 Å²	48.1	33%	0.332	23%	0.233	S	C	.	.	H	α-helix	trans	-65.2	-45.7	177.7	-179.1	53.8	0	0	0	111.7	V140 E141 W142 V146 Y147 L148	V140-N144 PolarHBondContact O-N 3.26Å; V140-N144 VanDerWaalsContact O-N 3.17Å; E141-N144 WeakPolarHBondContact O-CB 3.24Å; E141-N144 PolarHBondContact O-N 3.14Å; E141-N144 VanDerWaalsContact O-N 3.15Å; E141-N144 PolarHBondContact OE1-ND2 2.7Å; W142-N144 VanDerWaalsContact C-N 3.26Å; W142-N144 PolarHBondContact O-N 2.94Å; N144-V146 PolarHBondContact O-N 2.85Å; N144-Y147 WeakPolarHBondContact O-CB 3.47Å; N144-Y147 PolarHBondContact O-N 3.33Å; N144-L148 VanDerWaalsContact O-CG 3.29Å; N144-L148 WeakPolarHBondContact O-CG 3.45Å; N144-L148 PolarHBondContact O-N 2.96Å
145	L	98.6	Very high	98.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56	-48.8	174.7	172.5	61	0	0	0	111.7	V88 Y99 F101 V126 F130 E141 W142 Y147 L148 I149	V88-L145 HydrophobicContact CG1-CD1 4.44Å; Y99-L145 HydrophobicContact CD1-CD1 3.82Å; Y99-L145 HydrophobicContact CD2-CD1 4.06Å; Y99-L145 HydrophobicContact CE1-CB 4.48Å; Y99-L145 HydrophobicContact CE1-CD1 3.79Å; Y99-L145 HydrophobicContact CE1-CD2 4.23Å; Y99-L145 HydrophobicContact CE1-CG 4.39Å; Y99-L145 HydrophobicContact CE2-CB 4.2Å; Y99-L145 HydrophobicContact CE2-CD1 4.06Å; Y99-L145 HydrophobicContact CG-CD1 3.94Å; F101-L145 HydrophobicContact CE1-CD1 3.89Å; F101-L145 HydrophobicContact CZ-CD1 4Å; V126-L145 HydrophobicContact CG2-CD2 3.67Å; F130-L145 HydrophobicContact CE2-CD2 3.73Å; F130-L145 HydrophobicContact CZ-CD2 4.2Å; E141-L145 PolarHBondContact O-N 2.82Å; W142-L145 WeakPolarHBondContact O-CB 3.32Å; W142-L145 PolarHBondContact O-N 3.22Å; L145-Y147 VanDerWaalsContact C-N 3.33Å; L145-Y147 PolarHBondContact O-N 2.79Å; L145-L148 PolarHBondContact O-N 2.89Å; L145-L148 VanDerWaalsContact O-N 3.14Å; L145-I149 HydrophobicContact CD1-CD1 3.75Å; L145-I149 HydrophobicContact CD1-CG1 4.01Å; L145-I149 HydrophobicContact CD2-CD1 4.49Å; L145-I149 HydrophobicContact CG-CD1 3.79Å; L145-I149 HydrophobicContact CG-CG1 4.45Å; L145-I149 WeakPolarHBondContact O-CG1 3.44Å; L145-I149 PolarHBondContact O-N 2.89Å
146	V	98.9	Very high	98.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-42.8	179.6	176	0	0	0	0	111.3	L122 W142 N144 L148 I149 A150 L199	L122-V146 HydrophobicContact CD1-CG1 4.03Å; L122-V146 HydrophobicContact CD1-CG2 4.15Å; L122-V146 HydrophobicContact CD2-CG1 4.41Å; L122-V146 HydrophobicContact CD2-CG2 4.17Å; W142-V146 WeakPolarHBondContact O-CG2 3.49Å; W142-V146 PolarHBondContact O-N 2.88Å; N144-V146 PolarHBondContact O-N 2.85Å; V146-L148 PolarHBondContact O-N 2.8Å; V146-I149 PolarHBondContact O-N 2.91Å; V146-A150 WeakPolarHBondContact O-CB 3.47Å; V146-A150 PolarHBondContact O-N 3.17Å; V146-L199 HydrophobicContact CG1-CD2 3.87Å; V146-L199 HydrophobicContact CG1-CG 3.66Å
147	Y	98.9	Very high	98.4	Very high	82 Å²	82	44.3 Å²	44.3	32%	0.322	22%	0.216	S	C	.	.	H	α-helix	trans	-58.2	-47	172.9	167.3	-100.8	0	0	0	112.1	R143 N144 L145 A150 K151 G198 A201 A202	R143-Y147 PolarHBondContact O-N 2.75Å; N144-Y147 WeakPolarHBondContact O-CB 3.47Å; N144-Y147 PolarHBondContact O-N 3.33Å; L145-Y147 VanDerWaalsContact C-N 3.33Å; L145-Y147 PolarHBondContact O-N 2.79Å; Y147-A150 PolarHBondContact O-N 2.8Å; Y147-K151 HydrophobicContact CE2-CB 4.49Å; Y147-K151 WeakPolarHBondContact O-CB 3.24Å; Y147-K151 PolarHBondContact O-N 2.87Å; Y147-G198 WeakPolarHBondContact CA-O 3.49Å; Y147-A201 HydrophobicContact CD2-CB 3.79Å; Y147-A201 HydrophobicContact CE2-CB 4.34Å; Y147-A202 HydrophobicContact CD2-CB 3.93Å; Y147-A202 HydrophobicContact CE2-CB 4.27Å
148	L	98.7	Very high	98.5	Very high	62 Å²	62	42.5 Å²	42.5	33%	0.325	20%	0.204	S	C	.	.	H	α-helix	trans	-63.6	-42.3	-179.4	-70.4	172.4	0	0	0	111.9	Y99 F101 N144 L145 V146 R152	Y99-L148 HydrophobicContact CD2-CD1 3.87Å; Y99-L148 HydrophobicContact CE2-CD1 4.13Å; F101-L148 HydrophobicContact CZ-CB 4.26Å; N144-L148 VanDerWaalsContact O-CG 3.29Å; N144-L148 WeakPolarHBondContact O-CG 3.45Å; N144-L148 PolarHBondContact O-N 2.96Å; L145-L148 PolarHBondContact O-N 2.89Å; L145-L148 VanDerWaalsContact O-N 3.14Å; V146-L148 PolarHBondContact O-N 2.8Å; L148-R152 WeakPolarHBondContact O-CB 3.44Å; L148-R152 PolarHBondContact O-N 3.01Å
149	I	98.8	Very high	98.6	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-54.5	175.1	-73	168.6	0	0	0	110.2	L85 F101 F120 L145 V146 K151 R152 Y153	L85-I149 HydrophobicContact CD2-CD1 3.52Å; F101-I149 HydrophobicContact CD1-CG1 4.34Å; F101-I149 HydrophobicContact CE1-CD1 4.38Å; F101-I149 HydrophobicContact CE1-CG1 3.56Å; F101-I149 HydrophobicContact CZ-CG1 4.27Å; F120-I149 HydrophobicContact CE1-CG2 4.08Å; F120-I149 HydrophobicContact CE2-CG2 4.16Å; F120-I149 HydrophobicContact CZ-CG2 3.52Å; L145-I149 HydrophobicContact CD1-CD1 3.75Å; L145-I149 HydrophobicContact CD1-CG1 4.01Å; L145-I149 HydrophobicContact CD2-CD1 4.49Å; L145-I149 HydrophobicContact CG-CD1 3.79Å; L145-I149 HydrophobicContact CG-CG1 4.45Å; L145-I149 WeakPolarHBondContact O-CG1 3.44Å; L145-I149 PolarHBondContact O-N 2.89Å; V146-I149 PolarHBondContact O-N 2.91Å; I149-K151 PolarHBondContact O-N 3.17Å; I149-R152 PolarHBondContact O-N 2.99Å; I149-Y153 HydrophobicContact CG2-CD2 3.94Å; I149-Y153 HydrophobicContact CG2-CE2 3.89Å; I149-Y153 VanDerWaalsContact O-CD2 3.25Å; I149-Y153 WeakPolarHBondContact O-CD2 3.36Å; I149-Y153 PolarHBondContact O-N 2.79Å; I149-Y153 VanDerWaalsContact O-N 3.11Å
150	A	98.9	Very high	98.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-46.2	-177.5	0	0	0	0	0	111.8	V146 Y147 R152 Y153 I154 L199 A202 L206	V146-A150 WeakPolarHBondContact O-CB 3.47Å; V146-A150 PolarHBondContact O-N 3.17Å; Y147-A150 PolarHBondContact O-N 2.8Å; A150-R152 PolarHBondContact O-N 3.33Å; A150-Y153 PolarHBondContact O-N 3.19Å; A150-I154 WeakPolarHBondContact O-CB 3.32Å; A150-I154 VanDerWaalsContact O-CG1 3.23Å; A150-I154 WeakPolarHBondContact O-CG1 3.39Å; A150-I154 PolarHBondContact O-N 3.32Å; A150-L199 HydrophobicContact CB-CD2 3.93Å; A150-A202 HydrophobicContact CB-CB 3.5Å; A150-A202 VanDerWaalsContact CB-CB 3.5Å; A150-L206 HydrophobicContact CB-CD1 3.66Å
151	K	98.8	Very high	98.5	Very high	76 Å²	76	47.1 Å²	47.1	33%	0.33	23%	0.234	S	C	.	.	H	α-helix	trans	-62	-44.8	178.2	-178.2	54.4	177.3	155.4	0	111.6	Y147 I149 Y153 I154 D155	Y147-K151 HydrophobicContact CE2-CB 4.49Å; Y147-K151 WeakPolarHBondContact O-CB 3.24Å; Y147-K151 PolarHBondContact O-N 2.87Å; I149-K151 PolarHBondContact O-N 3.17Å; K151-Y153 PolarHBondContact O-N 2.96Å; K151-I154 PolarHBondContact O-N 2.86Å; K151-D155 WeakPolarHBondContact CE-OD1 3.42Å; K151-D155 WeakPolarHBondContact CE-OD2 3.36Å; K151-D155 IonicContact NZ-OD1 3.71Å; K151-D155 PolarHBondContact NZ-OD1 3.5Å; K151-D155 IonicContact NZ-OD2 3.3Å; K151-D155 PolarHBondContact NZ-OD2 3.05Å; K151-D155 WeakPolarHBondContact O-CB 3.47Å; K151-D155 PolarHBondContact O-N 2.77Å
152	R	98.6	Very high	98.6	Very high	104 Å²	104	45.5 Å²	45.5	39%	0.392	23%	0.226	S	C	.	.	H	α-helix	trans	-55.5	-48.7	177.5	177.6	175.7	-169.6	72.3	1.8	111.9	D105 L148 I149 A150 D155 K156	D105-R152 IonicContact OD1-CZ 3.77Å; D105-R152 IonicContact OD1-NE 3.35Å; D105-R152 PolarHBondContact OD1-NE 3.14Å; D105-R152 IonicContact OD1-NH2 3.53Å; D105-R152 IonicContact OD2-CZ 3.94Å; D105-R152 VanDerWaalsContact OD2-CZ 3.29Å; D105-R152 IonicContact OD2-NE 3.55Å; D105-R152 PolarHBondContact OD2-NE 3.15Å; D105-R152 IonicContact OD2-NH2 2.72Å; D105-R152 PolarHBondContact OD2-NH2 3.07Å; L148-R152 WeakPolarHBondContact O-CB 3.44Å; L148-R152 PolarHBondContact O-N 3.01Å; I149-R152 PolarHBondContact O-N 2.99Å; A150-R152 PolarHBondContact O-N 3.33Å; R152-D155 PolarHBondContact O-N 3.42Å; R152-K156 PolarHBondContact O-N 3.13Å
153	Y	98.8	Very high	98.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-78.2	-30.1	-177.5	-65	-49	0	0	0	113.4	L104 D105 I108 F120 I149 A150 K151 D155 K156 Y157 V162 W165	L104-Y153 HydrophobicContact CD2-CE2 4.06Å; L104-Y153 VanDerWaalsContact CD2-OH 3.29Å; L104-Y153 WeakPolarHBondContact CD2-OH 3.37Å; L104-Y153 HydrophobicContact CG-CE2 4.47Å; L104-Y153 WeakPolarHBondContact CG-OH 3.11Å; D105-Y153 VanDerWaalsContact OD1-CE1 3.31Å; D105-Y153 WeakPolarHBondContact OD1-CE1 3.37Å; D105-Y153 PolarHBondContact OD1-OH 2.79Å; I108-Y153 HydrophobicContact CB-CE1 4.26Å; I108-Y153 HydrophobicContact CG1-CE1 4.04Å; I108-Y153 HydrophobicContact CG1-CE2 4.22Å; I108-Y153 HydrophobicContact CG2-CD1 4.37Å; I108-Y153 HydrophobicContact CG2-CE1 4.34Å; F120-Y153 HydrophobicContact CE2-CD2 4.2Å; F120-Y153 AromaticContact CE2-CE2 3.95Å; F120-Y153 HydrophobicContact CE2-CE2 3.95Å; F120-Y153 HydrophobicContact CZ-CE2 4.27Å; I149-Y153 HydrophobicContact CG2-CD2 3.94Å; I149-Y153 HydrophobicContact CG2-CE2 3.89Å; I149-Y153 VanDerWaalsContact O-CD2 3.25Å; I149-Y153 WeakPolarHBondContact O-CD2 3.36Å; I149-Y153 PolarHBondContact O-N 2.79Å; I149-Y153 VanDerWaalsContact O-N 3.11Å; A150-Y153 PolarHBondContact O-N 3.19Å; K151-Y153 PolarHBondContact O-N 2.96Å; Y153-D155 VanDerWaalsContact C-N 3.27Å; Y153-D155 PolarHBondContact O-N 3.12Å; Y153-K156 PolarHBondContact O-N 3.38Å; Y153-Y157 HydrophobicContact CD1-CD2 4.04Å; Y153-Y157 AromaticContact CD1-CE2 3.69Å; Y153-Y157 HydrophobicContact CD1-CE2 3.69Å; Y153-Y157 HydrophobicContact CE1-CE2 4.34Å; Y153-Y157 WeakPolarHBondContact O-CB 3.48Å; Y153-Y157 PolarHBondContact O-N 3.21Å; Y153-V162 WeakPolarHBondContact O-CG2 3.41Å; Y153-W165 HydrophobicContact CD1-CH2 4.34Å; Y153-W165 HydrophobicContact CD2-CH2 4.11Å; Y153-W165 AromaticContact CD2-CZ3 3.8Å; Y153-W165 HydrophobicContact CD2-CZ3 3.8Å; Y153-W165 AromaticContact CG-CH2 3.79Å; Y153-W165 HydrophobicContact CG-CH2 3.79Å; Y153-W165 AromaticContact CG-CZ3 3.92Å; Y153-W165 HydrophobicContact CG-CZ3 3.92Å
154	I	98.8	Very high	98.5	Very high	22 Å²	22	48 Å²	48	11%	0.113	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-43.5	167.4	-73.7	166	0	0	0	109.9	A150 K151 G158 L159 V162 A202 L206	A150-I154 WeakPolarHBondContact O-CB 3.32Å; A150-I154 VanDerWaalsContact O-CG1 3.23Å; A150-I154 WeakPolarHBondContact O-CG1 3.39Å; A150-I154 PolarHBondContact O-N 3.32Å; K151-I154 PolarHBondContact O-N 2.86Å; I154-G158 CarbonylContact O-C 3.52Å; I154-G158 WeakPolarHBondContact O-CA 3.39Å; I154-G158 PolarHBondContact O-N 2.9Å; I154-L159 HydrophobicContact CD1-CD1 3.94Å; I154-L159 HydrophobicContact CG1-CD1 4.09Å; I154-L159 HydrophobicContact CG2-CB 4.18Å; I154-V162 HydrophobicContact CG1-CB 4.1Å; I154-V162 HydrophobicContact CG1-CG1 4.13Å; I154-V162 HydrophobicContact CG1-CG2 4.41Å; I154-A202 HydrophobicContact CD1-CB 4.26Å; I154-L206 HydrophobicContact CD1-CD1 4.08Å; I154-L206 HydrophobicContact CD1-CD2 4.22Å; I154-L206 HydrophobicContact CD1-CG 4.44Å
155	D	98.6	Very high	98.5	Very high	103 Å²	103	45.3 Å²	45.3	55%	0.551	23%	0.23	S	C	*	.	H	α-helix	trans	-69.5	-36.2	-179.5	-68.8	-17.6	0	0	0	112.1	K151 R152 Y153	K151-D155 WeakPolarHBondContact CE-OD1 3.42Å; K151-D155 WeakPolarHBondContact CE-OD2 3.36Å; K151-D155 IonicContact NZ-OD1 3.71Å; K151-D155 PolarHBondContact NZ-OD1 3.5Å; K151-D155 IonicContact NZ-OD2 3.3Å; K151-D155 PolarHBondContact NZ-OD2 3.05Å; K151-D155 WeakPolarHBondContact O-CB 3.47Å; K151-D155 PolarHBondContact O-N 2.77Å; R152-D155 PolarHBondContact O-N 3.42Å; Y153-D155 VanDerWaalsContact C-N 3.27Å; Y153-D155 PolarHBondContact O-N 3.12Å
156	K	98.3	Very high	98.5	Very high	94 Å²	94	45.5 Å²	45.5	41%	0.409	23%	0.231	S	C	.	.	H	α-helix	trans	-77	-42.7	178.7	-170.5	173	179.2	-173.9	0	113.3	E109 R152 Y153	E109-K156 IonicContact OE2-NZ 3.46Å; E109-K156 PolarHBondContact OE2-NZ 3.42Å; R152-K156 PolarHBondContact O-N 3.13Å; Y153-K156 PolarHBondContact O-N 3.38Å
157	Y	98.1	Very high	98.5	Very high	42 Å²	42	45.5 Å²	45.5	17%	0.165	23%	0.231	C	C	.	.	H	α-helix	trans	-115.3	-7	-168.7	-60.7	-65.2	0	0	0	114.8	I108 Y153 W165	I108-Y157 HydrophobicContact CB-CE2 4.41Å; I108-Y157 HydrophobicContact CG2-CD2 4.19Å; I108-Y157 HydrophobicContact CG2-CE2 3.3Å; Y153-Y157 HydrophobicContact CD1-CD2 4.04Å; Y153-Y157 AromaticContact CD1-CE2 3.69Å; Y153-Y157 HydrophobicContact CD1-CE2 3.69Å; Y153-Y157 HydrophobicContact CE1-CE2 4.34Å; Y153-Y157 WeakPolarHBondContact O-CB 3.48Å; Y153-Y157 PolarHBondContact O-N 3.21Å; Y157-W165 HydrophobicContact CD2-CH2 4.2Å; Y157-W165 HydrophobicContact CD2-CZ2 4.2Å; Y157-W165 HydrophobicContact CE2-CH2 4.48Å
158	G	98.4	Very high	98.5	Very high	32 Å²	32	41.7 Å²	41.7	33%	0.33	22%	0.216	S	C	.	.			trans	82.7	145.6	-177	0	0	0	0	0	113.2	I154 G160 R161 V162	I154-G158 CarbonylContact O-C 3.52Å; I154-G158 WeakPolarHBondContact O-CA 3.39Å; I154-G158 PolarHBondContact O-N 2.9Å; G158-G160 VanDerWaalsContact C-N 3.27Å; G158-G160 PolarHBondContact O-N 3.41Å; G158-R161 PolarHBondContact O-N 3.33Å; G158-R161 VanDerWaalsContact O-N 3.17Å; G158-V162 PolarHBondContact O-N 2.99Å
159	L	98.6	Very high	98.5	Very high	59 Å²	59	38.8 Å²	38.8	31%	0.309	20%	0.201	S	C	.	.	H	α-helix	trans	-57.9	-37.8	-178.3	-179.9	58.1	0	0	0	112.8	I154 R161 V162 S163 S203 L205 L206	I154-L159 HydrophobicContact CD1-CD1 3.94Å; I154-L159 HydrophobicContact CG1-CD1 4.09Å; I154-L159 HydrophobicContact CG2-CB 4.18Å; L159-R161 PolarHBondContact O-N 3.06Å; L159-V162 PolarHBondContact O-N 3.39Å; L159-S163 WeakPolarHBondContact O-CB 3.45Å; L159-S163 PolarHBondContact O-N 3.41Å; L159-S163 PolarHBondContact O-OG 3.11Å; L159-S203 WeakPolarHBondContact CD1-OG 3.38Å; L159-L205 HydrophobicContact CD1-CB 4.47Å; L159-L205 HydrophobicContact CD2-CD1 3.94Å; L159-L205 HydrophobicContact CG-CD1 4.48Å; L159-L206 HydrophobicContact CD1-CD2 4.05Å
160	G	98.1	Very high	98.5	Very high	54 Å²	54	38.8 Å²	38.8	56%	0.557	20%	0.201	S	C	*	.	H	α-helix	trans	-61.5	-29.5	-178.9	0	0	0	0	0	113.9	G158 S163 Q164	G158-G160 VanDerWaalsContact C-N 3.27Å; G158-G160 PolarHBondContact O-N 3.41Å; G160-S163 PolarHBondContact O-OG 3.35Å; G160-Q164 WeakPolarHBondContact O-CG 3.44Å
161	R	97.6	Very high	98.5	Very high	80 Å²	80	39.2 Å²	39.2	30%	0.302	20%	0.203	S	C	.	.	H	α-helix	trans	-83.2	-46.6	174.7	-171.7	168.9	-176.2	-172.2	0.7	111.3	S112 G158 L159 S163 Q164	S112-R161 VanDerWaalsContact CA-NH2 3.28Å; S112-R161 VanDerWaalsContact OG-CZ 3.32Å; S112-R161 PolarHBondContact OG-NH1 2.88Å; S112-R161 PolarHBondContact OG-NH2 3.16Å; G158-R161 PolarHBondContact O-N 3.33Å; G158-R161 VanDerWaalsContact O-N 3.17Å; L159-R161 PolarHBondContact O-N 3.06Å; R161-S163 VanDerWaalsContact C-N 3.34Å; R161-S163 PolarHBondContact O-N 3.39Å; R161-Q164 WeakPolarHBondContact O-CB 3.45Å; R161-Q164 PolarHBondContact O-N 2.96Å; R161-Q164 VanDerWaalsContact O-N 3.09Å
162	V	98.7	Very high	98.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-70.5	-28.6	-175.3	-174.9	0	0	0	0	112.5	Y153 I154 G158 L159 Q164 W165 F167 L206	Y153-V162 WeakPolarHBondContact O-CG2 3.41Å; I154-V162 HydrophobicContact CG1-CB 4.1Å; I154-V162 HydrophobicContact CG1-CG1 4.13Å; I154-V162 HydrophobicContact CG1-CG2 4.41Å; G158-V162 PolarHBondContact O-N 2.99Å; L159-V162 PolarHBondContact O-N 3.39Å; V162-Q164 PolarHBondContact O-N 3.29Å; V162-W165 HydrophobicContact CG1-CD2 4.12Å; V162-W165 HydrophobicContact CG1-CE3 3.95Å; V162-W165 HydrophobicContact CG1-CZ3 4.29Å; V162-W165 HydrophobicContact CG2-CH2 4.38Å; V162-W165 HydrophobicContact CG2-CZ2 4.2Å; V162-W165 WeakPolarHBondContact O-CB 3.45Å; V162-W165 PolarHBondContact O-N 2.84Å; V162-F167 HydrophobicContact CG1-CE2 4.1Å; V162-F167 HydrophobicContact CG1-CZ 4.04Å; V162-L206 HydrophobicContact CB-CD2 4.31Å; V162-L206 HydrophobicContact CG1-CD2 3.81Å
163	S	98.4	Very high	98.3	Very high	30 Å²	30	32 Å²	32	21%	0.21	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-16.7	172.4	61.3	0	0	0	0	113.4	L159 G160 R161 L205 R207	L159-S163 WeakPolarHBondContact O-CB 3.45Å; L159-S163 PolarHBondContact O-N 3.41Å; L159-S163 PolarHBondContact O-OG 3.11Å; G160-S163 PolarHBondContact O-OG 3.35Å; R161-S163 VanDerWaalsContact C-N 3.34Å; R161-S163 PolarHBondContact O-N 3.39Å; S163-L205 WeakPolarHBondContact CB-O 3.47Å; S163-R207 PolarHBondContact O-NE 3.46Å
164	Q	97.9	Very high	98.2	Very high	107 Å²	107	33.4 Å²	33.4	50%	0.5	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-9.8	173.9	-59.5	179.3	-5.9	0	0	112.6	Q117 G160 R161 V162 R207	Q117-Q164 PolarHBondContact NE2-O 2.88Å; G160-Q164 WeakPolarHBondContact O-CG 3.44Å; R161-Q164 WeakPolarHBondContact O-CB 3.45Å; R161-Q164 PolarHBondContact O-N 2.96Å; R161-Q164 VanDerWaalsContact O-N 3.09Å; V162-Q164 PolarHBondContact O-N 3.29Å; Q164-R207 VanDerWaalsContact C-NH2 3.31Å; Q164-R207 PolarHBondContact O-NH2 3.33Å
165	W	98.8	Very high	98	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.015	20%	0.201	C	C	.	.	S	Bend	trans	-72.9	144.8	174.6	-59.3	0.6	0	0	0	109.8	I108 P118 F120 Y153 Y157 V162 F167	I108-W165 HydrophobicContact CD1-CH2 4.28Å; I108-W165 HydrophobicContact CD1-CZ3 4.42Å; I108-W165 HydrophobicContact CG2-CH2 3.66Å; I108-W165 HydrophobicContact CG2-CZ2 4.02Å; P118-W165 HydrophobicContact CG-CD2 3.5Å; P118-W165 VanDerWaalsContact CG-CD2 3.5Å; P118-W165 HydrophobicContact CG-CE3 3.57Å; P118-W165 HydrophobicContact CG-CG 3.95Å; P118-W165 HydrophobicContact CG-CH2 4.26Å; P118-W165 HydrophobicContact CG-CZ2 4.19Å; P118-W165 HydrophobicContact CG-CZ3 3.96Å; F120-W165 AromaticContact CD2-CE3 3.77Å; F120-W165 HydrophobicContact CD2-CE3 3.77Å; F120-W165 AromaticContact CD2-CZ3 3.8Å; F120-W165 HydrophobicContact CD2-CZ3 3.8Å; F120-W165 HydrophobicContact CE2-CE3 4.41Å; F120-W165 AromaticContact CE2-CZ3 4Å; F120-W165 HydrophobicContact CE2-CZ3 4Å; Y153-W165 HydrophobicContact CD1-CH2 4.34Å; Y153-W165 HydrophobicContact CD2-CH2 4.11Å; Y153-W165 AromaticContact CD2-CZ3 3.8Å; Y153-W165 HydrophobicContact CD2-CZ3 3.8Å; Y153-W165 AromaticContact CG-CH2 3.79Å; Y153-W165 HydrophobicContact CG-CH2 3.79Å; Y153-W165 AromaticContact CG-CZ3 3.92Å; Y153-W165 HydrophobicContact CG-CZ3 3.92Å; Y157-W165 HydrophobicContact CD2-CH2 4.2Å; Y157-W165 HydrophobicContact CD2-CZ2 4.2Å; Y157-W165 HydrophobicContact CE2-CH2 4.48Å; V162-W165 HydrophobicContact CG1-CD2 4.12Å; V162-W165 HydrophobicContact CG1-CE3 3.95Å; V162-W165 HydrophobicContact CG1-CZ3 4.29Å; V162-W165 HydrophobicContact CG2-CH2 4.38Å; V162-W165 HydrophobicContact CG2-CZ2 4.2Å; V162-W165 WeakPolarHBondContact O-CB 3.45Å; V162-W165 PolarHBondContact O-N 2.84Å; W165-F167 HydrophobicContact CB-CD2 4.47Å; W165-F167 HydrophobicContact CB-CE2 4.14Å; W165-F167 HydrophobicContact CE3-CE1 4.38Å; W165-F167 HydrophobicContact CE3-CE2 4.4Å; W165-F167 AromaticContact CE3-CZ 3.83Å; W165-F167 HydrophobicContact CE3-CZ 3.83Å; W165-F167 HydrophobicContact CZ3-CZ 4.49Å
166	N	98.8	Very high	97.7	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.027	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	97.7	171.5	-70.4	-35.6	0	0	0	106.8	Q78 F120 R207 Y248 Y286	Q78-N166 PolarHBondContact OE1-ND2 3.46Å; F120-N166 PolarHBondContact N-O 3.46Å; N166-R207 PolarHBondContact OD1-NH1 2.73Å; N166-R207 PolarHBondContact OD1-NH2 2.79Å; N166-Y248 HydrophobicContact CB-CE1 4.27Å; N166-Y286 HydrophobicContact CB-CE2 4.46Å; N166-Y286 PolarHBondContact OD1-OH 3.45Å
167	F	98.9	Very high	97.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	135.4	170	-66.8	-89.9	0	0	0	109	F120 L122 V162 W165 L199 L206 R207 F208 G209 Y248	F120-F167 HydrophobicContact CB-CD1 3.76Å; F120-F167 HydrophobicContact CB-CE1 4.03Å; F120-F167 HydrophobicContact CB-CG 4.35Å; F120-F167 AromaticContact CD1-CD1 3.81Å; F120-F167 HydrophobicContact CD1-CD1 3.81Å; F120-F167 AromaticContact CD1-CE1 3.93Å; F120-F167 HydrophobicContact CD1-CE1 3.93Å; F120-F167 HydrophobicContact CD2-CD1 4.44Å; F120-F167 AromaticContact CD2-CE1 3.92Å; F120-F167 HydrophobicContact CD2-CE1 3.92Å; F120-F167 HydrophobicContact CE1-CE1 4.4Å; F120-F167 HydrophobicContact CE2-CE1 4.38Å; F120-F167 AromaticContact CG-CD1 3.74Å; F120-F167 HydrophobicContact CG-CD1 3.74Å; F120-F167 AromaticContact CG-CE1 3.68Å; F120-F167 HydrophobicContact CG-CE1 3.68Å; F120-F167 CarbonylContact O-C 3.37Å; F120-F167 VanDerWaalsContact O-CA 3.31Å; F120-F167 WeakPolarHBondContact O-CA 3.27Å; L122-F167 HydrophobicContact CD2-CD1 4.37Å; V162-F167 HydrophobicContact CG1-CE2 4.1Å; V162-F167 HydrophobicContact CG1-CZ 4.04Å; W165-F167 HydrophobicContact CB-CD2 4.47Å; W165-F167 HydrophobicContact CB-CE2 4.14Å; W165-F167 HydrophobicContact CE3-CE1 4.38Å; W165-F167 HydrophobicContact CE3-CE2 4.4Å; W165-F167 AromaticContact CE3-CZ 3.83Å; W165-F167 HydrophobicContact CE3-CZ 3.83Å; W165-F167 HydrophobicContact CZ3-CZ 4.49Å; F167-L199 HydrophobicContact CB-CD1 3.66Å; F167-L199 HydrophobicContact CB-CD2 4.44Å; F167-L199 HydrophobicContact CD1-CD1 4.48Å; F167-L199 HydrophobicContact CD1-CD2 3.83Å; F167-L199 HydrophobicContact CD2-CD1 4.33Å; F167-L199 HydrophobicContact CD2-CD2 3.93Å; F167-L199 HydrophobicContact CE1-CD2 3.97Å; F167-L199 HydrophobicContact CE2-CD2 4.08Å; F167-L199 HydrophobicContact CG-CD1 3.93Å; F167-L199 HydrophobicContact CG-CD2 3.8Å; F167-L199 HydrophobicContact CZ-CD2 4.09Å; F167-L206 HydrophobicContact CD2-CB 4.47Å; F167-L206 HydrophobicContact CE2-CB 4.39Å; F167-L206 HydrophobicContact CE2-CD1 4.26Å; F167-L206 HydrophobicContact CE2-CD2 4.29Å; F167-R207 WeakPolarHBondContact CB-O 3.41Å; F167-R207 PolarHBondContact N-O 3.12Å; F167-F208 HydrophobicContact CB-CD2 4.04Å; F167-F208 VanDerWaalsContact O-CA 3.3Å; F167-F208 WeakPolarHBondContact O-CA 3.43Å; F167-F208 WeakPolarHBondContact O-CD2 3.42Å; F167-G209 PolarHBondContact O-N 2.9Å; F167-G209 VanDerWaalsContact O-N 3.08Å; F167-Y248 PolarHBondContact O-OH 3.37Å
168	E	98.9	Very high	97.5	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	157.5	-169.6	-164.7	161.8	-153.1	0	0	112.3	R80 F120 E121 L122 G209 Y248 A250	R80-E168 WeakPolarHBondContact CD-OE2 3.48Å; R80-E168 IonicContact CZ-OE2 3.51Å; R80-E168 IonicContact NE-OE2 3.45Å; R80-E168 PolarHBondContact NE-OE2 2.96Å; R80-E168 IonicContact NH2-OE2 3.29Å; F120-E168 PolarHBondContact O-N 3.42Å; E121-E168 HydrophobicContact CG-CB 4.11Å; L122-E168 PolarHBondContact N-O 3.49Å; E168-G209 WeakPolarHBondContact CA-O 3.45Å; E168-Y248 VanDerWaalsContact CB-OH 3.32Å; E168-Y248 WeakPolarHBondContact CB-OH 3.38Å; E168-A250 WeakPolarHBondContact OE1-CB 3.35Å
169	T	98.9	Very high	97.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.			trans	-61.9	176.1	170.6	50	0	0	0	0	112.7	F188 Y191 Y192 F208 G209 G210 P211 L227	T169-F188 HydrophobicContact CG2-CZ 4.23Å; T169-Y191 HydrophobicContact CG2-CE1 4.24Å; T169-Y192 HydrophobicContact CG2-CD2 3.48Å; T169-Y192 VanDerWaalsContact CG2-CD2 3.48Å; T169-Y192 HydrophobicContact CG2-CE2 3.7Å; T169-F208 HydrophobicContact CG2-CE2 4.29Å; T169-F208 HydrophobicContact CG2-CZ 3.85Å; T169-G209 PolarHBondContact N-O 3.45Å; T169-G209 VanDerWaalsContact N-O 3.13Å; T169-G210 VanDerWaalsContact OG1-CA 3.31Å; T169-G210 WeakPolarHBondContact OG1-CA 3.25Å; T169-P211 VanDerWaalsContact OG1-CA 3.25Å; T169-P211 WeakPolarHBondContact OG1-CA 3.41Å; T169-P211 PolarHBondContact OG1-O 3.5Å; T169-L227 HydrophobicContact CG2-CD2 4.44Å
170	W	98.7	Very high	97.1	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	21%	0.211	C	C	.	.			trans	-61.3	139.4	168.9	-158.1	-61.8	0	0	0	110	W83 M123 D177 F178 V181 M183 F188 Y191	W83-W170 HydrophobicContact CE3-CZ2 4.33Å; W83-W170 HydrophobicContact CH2-CH2 4.41Å; W83-W170 AromaticContact CH2-CZ2 3.43Å; W83-W170 HydrophobicContact CH2-CZ2 3.43Å; W83-W170 VanDerWaalsContact CH2-CZ2 3.43Å; W83-W170 HydrophobicContact CZ2-CZ2 4.42Å; W83-W170 AromaticContact CZ3-CH2 4Å; W83-W170 HydrophobicContact CZ3-CH2 4Å; W83-W170 AromaticContact CZ3-CZ2 3.36Å; W83-W170 HydrophobicContact CZ3-CZ2 3.36Å; M123-W170 HydrophobicContact CB-CD2 4.44Å; M123-W170 HydrophobicContact CB-CG 4.41Å; M123-W170 HydrophobicContact CG-CD2 3.82Å; M123-W170 HydrophobicContact CG-CG 3.84Å; M123-W170 HydrophobicContact CG-CZ2 4.34Å; W170-D177 PolarHBondContact NE1-O 3.32Å; W170-F178 HydrophobicContact CB-CE1 4.26Å; W170-F178 AromaticContact CD1-CD1 3.86Å; W170-F178 AromaticContact CD1-CE1 3.79Å; W170-F178 AromaticContact CD2-CD1 3.72Å; W170-F178 HydrophobicContact CD2-CD1 3.72Å; W170-F178 AromaticContact CD2-CE1 3.98Å; W170-F178 HydrophobicContact CD2-CE1 3.98Å; W170-F178 AromaticContact CE2-CD1 3.51Å; W170-F178 HydrophobicContact CE3-CD1 4.29Å; W170-F178 AromaticContact CG-CD1 3.98Å; W170-F178 HydrophobicContact CG-CD1 3.98Å; W170-F178 AromaticContact CG-CE1 3.79Å; W170-F178 HydrophobicContact CG-CE1 3.79Å; W170-F178 HydrophobicContact CH2-CD1 4.47Å; W170-F178 HydrophobicContact CZ2-CB 4.28Å; W170-F178 AromaticContact CZ2-CD1 3.92Å; W170-F178 HydrophobicContact CZ2-CD1 3.92Å; W170-F178 AromaticContact NE1-CD1 3.58Å; W170-V181 HydrophobicContact CH2-CB 4.21Å; W170-V181 HydrophobicContact CH2-CG2 3.81Å; W170-V181 HydrophobicContact CZ3-CG2 4.44Å; W170-M183 HydrophobicContact CE3-CE 4.06Å; W170-M183 HydrophobicContact CZ3-CE 4.22Å; W170-F188 HydrophobicContact CB-CE2 4.46Å; W170-Y191 HydrophobicContact CB-CE1 4.39Å; W170-Y191 PolarHBondContact N-OH 3.03Å; W170-Y191 VanDerWaalsContact N-OH 3.13Å
171	N	98.3	Very high	97	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.043	19%	0.187	C	C	.	.	S	Bend	trans	-58.2	135.3	179.5	-171	63.7	0	0	0	113.3	R80 H82 E121 M123 H252 E289	R80-N171 PolarHBondContact NH1-OD1 2.04Å; R80-N171 PolarHBondContact NH2-OD1 3.03Å; H82-N171 PolarHBondContact CE1-OD1 3.48Å; H82-N171 PolarHBondContact NE2-ND2 2.88Å; E121-N171 WeakPolarHBondContact OE1-CB 3.28Å; M123-N171 HydrophobicContact CE-CB 3.88Å; M123-N171 HydrophobicContact SD-CB 3.8Å; N171-H252 PolarHBondContact OD1-CE1 3.16Å; N171-H252 VanDerWaalsContact OD1-CE1 3.27Å; N171-E289 PolarHBondContact OD1-OE1 3.37Å
172	E	97.4	Very high	96.9	Very high	30 Å²	30	37.9 Å²	37.9	14%	0.14	20%	0.199	C	C	.	.			trans	37.4	60.3	169.8	-61.7	-170.2	143.8	0	0	114	N174 N175 G212 H252	E172-N174 PolarHBondContact O-N 3.42Å; E172-N175 HydrophobicContact CB-CB 4.08Å; E172-N175 VanDerWaalsContact CD-ND2 3.35Å; E172-N175 WeakPolarHBondContact O-CB 3.42Å; E172-N175 PolarHBondContact O-N 3.07Å; E172-N175 PolarHBondContact OE2-ND2 3.15Å; E172-G212 VanDerWaalsContact CA-O 3.23Å; E172-G212 WeakPolarHBondContact CA-O 3.48Å; E172-G212 WeakPolarHBondContact CG-O 3.17Å; E172-G212 PolarHBondContact N-O 2.84Å; E172-H252 WeakPolarHBondContact CG-ND1 3.44Å; E172-H252 IonicContact OE1-CE1 2.82Å; E172-H252 IonicContact OE1-CG 3.05Å; E172-H252 IonicContact OE1-ND1 3.8Å; E172-H252 PolarHBondContact OE1-ND1 3.26Å
173	P	96.1	Very high	96.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-56.2	-25.9	-173.3	23.5	-36.5	0	0	0	113.4	N175 H176 F178 F188 P211 D213 F223	P173-N175 VanDerWaalsContact C-N 3.31Å; P173-N175 PolarHBondContact O-N 2.78Å; P173-H176 PolarHBondContact O-N 3.04Å; P173-F178 VanDerWaalsContact CA-CZ 3.49Å; P173-F178 HydrophobicContact CB-CE1 4.35Å; P173-F178 HydrophobicContact CB-CZ 3.68Å; P173-F178 VanDerWaalsContact O-CE2 3.26Å; P173-F178 WeakPolarHBondContact O-CE2 3.13Å; P173-F178 WeakPolarHBondContact O-CZ 3.37Å; P173-F188 HydrophobicContact CB-CD2 4.15Å; P173-F188 HydrophobicContact CB-CE1 4.45Å; P173-F188 HydrophobicContact CB-CE2 3.78Å; P173-F188 HydrophobicContact CB-CZ 3.95Å; P173-F188 HydrophobicContact CG-CE1 4.19Å; P173-F188 HydrophobicContact CG-CE2 4.06Å; P173-F188 HydrophobicContact CG-CZ 3.72Å; P173-P211 HydrophobicContact CG-CB 4.11Å; P173-D213 VanDerWaalsContact CD-OD2 3.27Å; P173-D213 WeakPolarHBondContact CD-OD2 3.41Å; P173-F223 HydrophobicContact CB-CB 3.96Å; P173-F223 HydrophobicContact CB-CD1 3.94Å; P173-F223 HydrophobicContact CB-CG 3.96Å; P173-F223 HydrophobicContact CG-CB 3.85Å; P173-F223 HydrophobicContact CG-CG 4.41Å
174	N	95.6	Very high	96.8	Very high	29 Å²	29	38.8 Å²	38.8	16%	0.155	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-74.5	-17.8	176.9	-159.4	74.3	0	0	0	114.5	E172 H176 D213 R220 S221 P222 F223	E172-N174 PolarHBondContact O-N 3.42Å; N174-H176 PolarHBondContact O-CD2 3.05Å; N174-H176 VanDerWaalsContact O-CD2 3.23Å; N174-D213 WeakPolarHBondContact CB-OD2 3.18Å; N174-D213 PolarHBondContact N-OD2 2.92Å; N174-R220 PolarHBondContact ND2-O 3.04Å; N174-R220 PolarHBondContact OD1-O 3.44Å; N174-S221 WeakPolarHBondContact OD1-CA 3.38Å; N174-P222 WeakPolarHBondContact OD1-CD 3.39Å; N174-F223 HydrophobicContact CB-CD2 4.5Å
175	N	94.8	Very high	96.8	Very high	91 Å²	91	36.9 Å²	36.9	49%	0.487	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-82.7	-4.3	174.7	-71.2	-9.2	0	0	0	112.4	E172 P173 D177	E172-N175 HydrophobicContact CB-CB 4.08Å; E172-N175 VanDerWaalsContact CD-ND2 3.35Å; E172-N175 WeakPolarHBondContact O-CB 3.42Å; E172-N175 PolarHBondContact O-N 3.07Å; E172-N175 PolarHBondContact OE2-ND2 3.15Å; P173-N175 VanDerWaalsContact C-N 3.31Å; P173-N175 PolarHBondContact O-N 2.78Å; N175-D177 PolarHBondContact O-N 3.32Å
176	H	93.4	Very high	96.8	Very high	123 Å²	123	41.3 Å²	41.3	57%	0.569	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	28	175.2	-61.4	-78.7	0	0	0	114.8	P173 N174 F178 F223	P173-H176 PolarHBondContact O-N 3.04Å; N174-H176 PolarHBondContact O-CD2 3.05Å; N174-H176 VanDerWaalsContact O-CD2 3.23Å; H176-F178 HydrophobicContact CB-CD2 4.47Å; H176-F178 PolarHBondContact O-N 2.64Å; H176-F223 AromaticContact CE1-CE2 3.66Å
177	D	94.5	Very high	96.8	Very high	64 Å²	64	41.1 Å²	41.1	34%	0.342	22%	0.216	S	C	.	.			trans	-81.8	69.4	174.1	-168.8	21.7	0	0	0	111.2	W170 N175	W170-D177 PolarHBondContact NE1-O 3.32Å; N175-D177 PolarHBondContact O-N 3.32Å
178	F	96.4	Very high	96.8	Very high	9 Å²	9	41.1 Å²	41.1	4%	0.039	22%	0.216	C	C	.	.			trans	-109.5	9.3	-177.9	-62.3	-66.5	0	0	0	113.5	W170 P173 H176 N180 V181 M183	W170-F178 HydrophobicContact CB-CE1 4.26Å; W170-F178 AromaticContact CD1-CD1 3.86Å; W170-F178 AromaticContact CD1-CE1 3.79Å; W170-F178 AromaticContact CD2-CD1 3.72Å; W170-F178 HydrophobicContact CD2-CD1 3.72Å; W170-F178 AromaticContact CD2-CE1 3.98Å; W170-F178 HydrophobicContact CD2-CE1 3.98Å; W170-F178 AromaticContact CE2-CD1 3.51Å; W170-F178 HydrophobicContact CE3-CD1 4.29Å; W170-F178 AromaticContact CG-CD1 3.98Å; W170-F178 HydrophobicContact CG-CD1 3.98Å; W170-F178 AromaticContact CG-CE1 3.79Å; W170-F178 HydrophobicContact CG-CE1 3.79Å; W170-F178 HydrophobicContact CH2-CD1 4.47Å; W170-F178 HydrophobicContact CZ2-CB 4.28Å; W170-F178 AromaticContact CZ2-CD1 3.92Å; W170-F178 HydrophobicContact CZ2-CD1 3.92Å; W170-F178 AromaticContact NE1-CD1 3.58Å; P173-F178 VanDerWaalsContact CA-CZ 3.49Å; P173-F178 HydrophobicContact CB-CE1 4.35Å; P173-F178 HydrophobicContact CB-CZ 3.68Å; P173-F178 VanDerWaalsContact O-CE2 3.26Å; P173-F178 WeakPolarHBondContact O-CE2 3.13Å; P173-F178 WeakPolarHBondContact O-CZ 3.37Å; H176-F178 HydrophobicContact CB-CD2 4.47Å; H176-F178 PolarHBondContact O-N 2.64Å; F178-N180 PolarHBondContact O-N 3.23Å; F178-N180 VanDerWaalsContact O-N 3.16Å; F178-V181 HydrophobicContact CB-CB 4.32Å; F178-V181 WeakPolarHBondContact CB-O 3.47Å; F178-V181 WeakPolarHBondContact O-CB 3.32Å; F178-V181 PolarHBondContact O-N 3.4Å; F178-M183 HydrophobicContact CB-CB 4.47Å; F178-M183 HydrophobicContact CD1-CB 3.86Å; F178-M183 HydrophobicContact CD1-CE 4.03Å; F178-M183 HydrophobicContact CD1-CG 4.11Å; F178-M183 HydrophobicContact CD2-CB 3.62Å; F178-M183 HydrophobicContact CD2-CG 4.37Å; F178-M183 HydrophobicContact CE1-CB 3.91Å; F178-M183 HydrophobicContact CE1-CE 4.06Å; F178-M183 HydrophobicContact CE1-CG 3.69Å; F178-M183 HydrophobicContact CE2-CB 3.64Å; F178-M183 HydrophobicContact CE2-CG 3.94Å; F178-M183 HydrophobicContact CG-CB 3.73Å; F178-M183 HydrophobicContact CG-CG 4.44Å; F178-M183 HydrophobicContact CZ-CB 3.78Å; F178-M183 HydrophobicContact CZ-CG 3.58Å
179	D	94.6	Very high	96.8	Very high	68 Å²	68	41.8 Å²	41.8	36%	0.364	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	-117.1	-167.8	-78.9	-9.6	0	0	0	111.9	H49 W83	H49-D179 IonicContact CE1-OD1 3.12Å; H49-D179 IonicContact CE1-OD2 3.55Å; H49-D179 IonicContact CG-OD2 2.58Å; H49-D179 VanDerWaalsContact ND1-CG 3.32Å; H49-D179 IonicContact ND1-OD1 3.54Å; H49-D179 PolarHBondContact ND1-OD1 3Å; H49-D179 IonicContact ND1-OD2 3.62Å; H49-D179 PolarHBondContact ND1-OD2 2.85Å; W83-D179 HydrophobicContact CH2-CB 3.95Å; W83-D179 HydrophobicContact CZ3-CB 4.46Å
180	N	94.1	Very high	96.8	Very high	125 Å²	125	42.2 Å²	42.2	67%	0.668	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	4.7	-179	-65.9	-35	0	0	0	113	F178	F178-N180 PolarHBondContact O-N 3.23Å; F178-N180 VanDerWaalsContact O-N 3.16Å
181	V	96.6	Very high	96.8	Very high	10 Å²	10	42.2 Å²	42.2	6%	0.061	22%	0.222	C	C	.	.			trans	-82.9	123.8	178.5	-173.3	0	0	0	0	109.4	F130 W170 F178 M183	F130-V181 WeakPolarHBondContact O-CG2 3.36Å; W170-V181 HydrophobicContact CH2-CB 4.21Å; W170-V181 HydrophobicContact CH2-CG2 3.81Å; W170-V181 HydrophobicContact CZ3-CG2 4.44Å; F178-V181 HydrophobicContact CB-CB 4.32Å; F178-V181 WeakPolarHBondContact CB-O 3.47Å; F178-V181 WeakPolarHBondContact O-CB 3.32Å; F178-V181 PolarHBondContact O-N 3.4Å; V181-M183 HydrophobicContact CG1-CE 4.11Å; V181-M183 PolarHBondContact O-N 3.45Å
182	T	94.7	Very high	96.8	Very high	89 Å²	89	41.8 Å²	41.8	55%	0.546	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-76.7	111.3	170.6	-60.1	0	0	0	0	108.6	T131	T131-T182 PolarHBondContact O-N 2.84Å
183	M	97.4	Very high	96.9	Very high	14 Å²	14	40.4 Å²	40.4	7%	0.069	21%	0.214	C	C	.	.			trans	-121.1	93.6	180	-165.9	74.9	66.1	0	0	110.4	L133 W170 F178 V181 F188 F223	L133-M183 HydrophobicContact CB-SD 4.38Å; L133-M183 HydrophobicContact CD1-CE 3.7Å; L133-M183 HydrophobicContact CD1-SD 4.16Å; L133-M183 HydrophobicContact CG-CE 4.43Å; W170-M183 HydrophobicContact CE3-CE 4.06Å; W170-M183 HydrophobicContact CZ3-CE 4.22Å; F178-M183 HydrophobicContact CB-CB 4.47Å; F178-M183 HydrophobicContact CD1-CB 3.86Å; F178-M183 HydrophobicContact CD1-CE 4.03Å; F178-M183 HydrophobicContact CD1-CG 4.11Å; F178-M183 HydrophobicContact CD2-CB 3.62Å; F178-M183 HydrophobicContact CD2-CG 4.37Å; F178-M183 HydrophobicContact CE1-CB 3.91Å; F178-M183 HydrophobicContact CE1-CE 4.06Å; F178-M183 HydrophobicContact CE1-CG 3.69Å; F178-M183 HydrophobicContact CE2-CB 3.64Å; F178-M183 HydrophobicContact CE2-CG 3.94Å; F178-M183 HydrophobicContact CG-CB 3.73Å; F178-M183 HydrophobicContact CG-CG 4.44Å; F178-M183 HydrophobicContact CZ-CB 3.78Å; F178-M183 HydrophobicContact CZ-CG 3.58Å; V181-M183 HydrophobicContact CG1-CE 4.11Å; V181-M183 PolarHBondContact O-N 3.45Å; M183-F188 HydrophobicContact CG-CB 3.98Å; M183-F188 HydrophobicContact CG-CD2 4.31Å; M183-F188 HydrophobicContact SD-CB 3.97Å; M183-F188 HydrophobicContact SD-CD2 4.26Å; M183-F223 HydrophobicContact CG-CE1 4.33Å
184	S	98	Very high	97.1	Very high	35 Å²	35	40.4 Å²	40.4	25%	0.245	21%	0.214	C	C	.	.			trans	-76	171.6	165.7	82.4	0	0	0	0	110.4	E134 Q186 G187 F188	E134-S184 WeakPolarHBondContact OE1-CB 2.97Å; E134-S184 PolarHBondContact OE1-OG 3.35Å; S184-Q186 VanDerWaalsContact C-N 3.29Å; S184-Q186 PolarHBondContact O-N 2.67Å; S184-Q186 PolarHBondContact OG-N 2.92Å; S184-G187 PolarHBondContact O-N 3.48Å; S184-G187 PolarHBondContact OG-N 2.91Å; S184-F188 WeakPolarHBondContact O-CB 3.38Å; S184-F188 PolarHBondContact O-N 2.9Å
185	I	98.4	Very high	97.2	Very high	68 Å²	68	39 Å²	39	35%	0.349	21%	0.206	S	C	.	.	H	α-helix	trans	-57.9	-45.4	171.6	-65.5	169.8	0	0	0	110.2	F188 L189 P222 F223 A226	I185-F188 PolarHBondContact O-N 3.37Å; I185-L189 WeakPolarHBondContact O-CG 3.47Å; I185-L189 PolarHBondContact O-N 3.08Å; I185-P222 HydrophobicContact CD1-CB 3.83Å; I185-P222 HydrophobicContact CD1-CG 4.5Å; I185-F223 HydrophobicContact CG1-CD1 4.32Å; I185-F223 HydrophobicContact CG1-CD2 4.41Å; I185-F223 HydrophobicContact CG1-CE1 4.15Å; I185-F223 HydrophobicContact CG1-CE2 4.22Å; I185-F223 HydrophobicContact CG1-CG 4.46Å; I185-F223 HydrophobicContact CG1-CZ 4.09Å; I185-A226 HydrophobicContact CG2-CB 3.46Å; I185-A226 VanDerWaalsContact CG2-CB 3.46Å
186	Q	98.7	Very high	97.4	Very high	97 Å²	97	34.7 Å²	34.7	45%	0.453	18%	0.183	S	C	.	.	H	α-helix	trans	-65.8	-40.7	179.1	-174.3	59.6	57.7	0	0	111.6	S184 F188 L189 N190	S184-Q186 VanDerWaalsContact C-N 3.29Å; S184-Q186 PolarHBondContact O-N 2.67Å; S184-Q186 PolarHBondContact OG-N 2.92Å; Q186-F188 VanDerWaalsContact C-N 3.29Å; Q186-F188 PolarHBondContact O-N 3.36Å; Q186-L189 PolarHBondContact O-N 3.36Å; Q186-N190 PolarHBondContact NE2-OD1 2.87Å; Q186-N190 PolarHBondContact O-N 3.45Å; Q186-N190 PolarHBondContact O-ND2 2.8Å; Q186-N190 PolarHBondContact O-OD1 3.02Å
187	G	98.6	Very high	97.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.1	-40.3	173.7	0	0	0	0	0	112.2	L133 S184 N190 Y191	L133-G187 WeakPolarHBondContact O-CA 3.23Å; S184-G187 PolarHBondContact O-N 3.48Å; S184-G187 PolarHBondContact OG-N 2.91Å; G187-N190 PolarHBondContact O-N 2.84Å; G187-Y191 VanDerWaalsContact O-CB 3.28Å; G187-Y191 WeakPolarHBondContact O-CB 3.42Å; G187-Y191 PolarHBondContact O-N 3.3Å
188	F	98.8	Very high	97.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.9	-36	175.8	-174.2	-107.7	0	0	0	113.1	T169 W170 P173 M183 S184 I185 Q186 Y191 Y192 P211 F223 L227	T169-F188 HydrophobicContact CG2-CZ 4.23Å; W170-F188 HydrophobicContact CB-CE2 4.46Å; P173-F188 HydrophobicContact CB-CD2 4.15Å; P173-F188 HydrophobicContact CB-CE1 4.45Å; P173-F188 HydrophobicContact CB-CE2 3.78Å; P173-F188 HydrophobicContact CB-CZ 3.95Å; P173-F188 HydrophobicContact CG-CE1 4.19Å; P173-F188 HydrophobicContact CG-CE2 4.06Å; P173-F188 HydrophobicContact CG-CZ 3.72Å; M183-F188 HydrophobicContact CG-CB 3.98Å; M183-F188 HydrophobicContact CG-CD2 4.31Å; M183-F188 HydrophobicContact SD-CB 3.97Å; M183-F188 HydrophobicContact SD-CD2 4.26Å; S184-F188 WeakPolarHBondContact O-CB 3.38Å; S184-F188 PolarHBondContact O-N 2.9Å; I185-F188 PolarHBondContact O-N 3.37Å; Q186-F188 VanDerWaalsContact C-N 3.29Å; Q186-F188 PolarHBondContact O-N 3.36Å; F188-Y191 AromaticContact CD2-CD1 3.83Å; F188-Y191 HydrophobicContact CD2-CD1 3.83Å; F188-Y191 HydrophobicContact CD2-CE1 4.34Å; F188-Y191 AromaticContact CE2-CD1 3.91Å; F188-Y191 HydrophobicContact CE2-CD1 3.91Å; F188-Y191 AromaticContact CE2-CE1 3.97Å; F188-Y191 HydrophobicContact CE2-CE1 3.97Å; F188-Y191 WeakPolarHBondContact O-CB 3.37Å; F188-Y192 WeakPolarHBondContact O-CB 3.41Å; F188-Y192 PolarHBondContact O-N 3.19Å; F188-P211 HydrophobicContact CZ-CB 4.46Å; F188-F223 HydrophobicContact CB-CD1 3.75Å; F188-F223 HydrophobicContact CB-CE1 3.8Å; F188-F223 AromaticContact CD1-CD1 3.86Å; F188-F223 HydrophobicContact CD1-CD1 3.86Å; F188-F223 HydrophobicContact CD2-CD1 4.45Å; F188-F223 AromaticContact CG-CD1 3.78Å; F188-F223 HydrophobicContact CG-CD1 3.78Å; F188-F223 HydrophobicContact CG-CE1 4.25Å; F188-L227 HydrophobicContact CE1-CB 4.1Å; F188-L227 HydrophobicContact CE1-CD2 3.98Å; F188-L227 HydrophobicContact CE1-CG 4.42Å; F188-L227 HydrophobicContact CZ-CD2 4.42Å
189	L	98.9	Very high	98	Very high	17 Å²	17	26.2 Å²	26.2	9%	0.089	14%	0.142	C	C	.	.	H	α-helix	trans	-68.2	-41.4	173.3	-60.8	-176.1	0	0	0	111.6	I185 Q186 Y192 D193 L227 H230	I185-L189 WeakPolarHBondContact O-CG 3.47Å; I185-L189 PolarHBondContact O-N 3.08Å; Q186-L189 PolarHBondContact O-N 3.36Å; L189-Y192 WeakPolarHBondContact O-CB 3.33Å; L189-Y192 PolarHBondContact O-N 3.09Å; L189-D193 PolarHBondContact O-N 2.92Å; L189-L227 HydrophobicContact CD2-CB 4.36Å; L189-L227 HydrophobicContact CD2-CD1 4.28Å; L189-H230 HydrophobicContact CD1-CB 3.99Å; L189-H230 HydrophobicContact CD2-CB 3.63Å; L189-H230 HydrophobicContact CG-CB 4.34Å
190	N	98.9	Very high	98.2	Very high	9 Å²	9	28.4 Å²	28.4	5%	0.048	15%	0.145	C	C	.	.	H	α-helix	trans	-63.3	-43	175.1	-61.2	-16.1	0	0	0	111.6	L133 V139 Q186 G187 Y192 D193 A194 Y237	L133-N190 WeakPolarHBondContact O-CB 3.22Å; L133-N190 PolarHBondContact O-ND2 3.39Å; V139-N190 HydrophobicContact CG1-CB 4.14Å; V139-N190 HydrophobicContact CG2-CB 3.8Å; Q186-N190 PolarHBondContact NE2-OD1 2.87Å; Q186-N190 PolarHBondContact O-N 3.45Å; Q186-N190 PolarHBondContact O-ND2 2.8Å; Q186-N190 PolarHBondContact O-OD1 3.02Å; G187-N190 PolarHBondContact O-N 2.84Å; N190-Y192 VanDerWaalsContact C-N 3.34Å; N190-D193 PolarHBondContact O-N 2.86Å; N190-A194 WeakPolarHBondContact O-CB 3.37Å; N190-A194 PolarHBondContact O-N 3.5Å; N190-Y237 HydrophobicContact CB-CD2 4.31Å; N190-Y237 WeakPolarHBondContact OD1-CD2 3.42Å
191	Y	98.9	Very high	98.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-54.6	-49.5	171.6	161.6	-102.3	0	0	0	111.4	L122 L133 W142 T169 W170 G187 F188 D193 A194 C195	L122-Y191 WeakPolarHBondContact CB-OH 3.5Å; L122-Y191 PolarHBondContact O-OH 2.94Å; L133-Y191 HydrophobicContact CD1-CD2 3.6Å; L133-Y191 HydrophobicContact CD1-CG 3.92Å; W142-Y191 HydrophobicContact CD2-CD2 4.38Å; W142-Y191 AromaticContact CE2-CD2 3.72Å; W142-Y191 AromaticContact CE2-CE2 3.51Å; W142-Y191 HydrophobicContact CH2-CE2 4.44Å; W142-Y191 HydrophobicContact CZ2-CD2 4.09Å; W142-Y191 AromaticContact CZ2-CE2 3.49Å; W142-Y191 HydrophobicContact CZ2-CE2 3.49Å; W142-Y191 VanDerWaalsContact CZ2-CE2 3.49Å; W142-Y191 AromaticContact NE1-CD2 3.46Å; W142-Y191 AromaticContact NE1-CE2 3.36Å; T169-Y191 HydrophobicContact CG2-CE1 4.24Å; W170-Y191 HydrophobicContact CB-CE1 4.39Å; W170-Y191 PolarHBondContact N-OH 3.03Å; W170-Y191 VanDerWaalsContact N-OH 3.13Å; G187-Y191 VanDerWaalsContact O-CB 3.28Å; G187-Y191 WeakPolarHBondContact O-CB 3.42Å; G187-Y191 PolarHBondContact O-N 3.3Å; F188-Y191 AromaticContact CD2-CD1 3.83Å; F188-Y191 HydrophobicContact CD2-CD1 3.83Å; F188-Y191 HydrophobicContact CD2-CE1 4.34Å; F188-Y191 AromaticContact CE2-CD1 3.91Å; F188-Y191 HydrophobicContact CE2-CD1 3.91Å; F188-Y191 AromaticContact CE2-CE1 3.97Å; F188-Y191 HydrophobicContact CE2-CE1 3.97Å; F188-Y191 WeakPolarHBondContact O-CB 3.37Å; Y191-D193 VanDerWaalsContact C-N 3.34Å; Y191-D193 PolarHBondContact O-N 3.42Å; Y191-A194 WeakPolarHBondContact O-CB 3.38Å; Y191-A194 PolarHBondContact O-N 3.37Å; Y191-A194 VanDerWaalsContact O-N 3.16Å; Y191-C195 WeakPolarHBondContact CE2-SG 3.39Å; Y191-C195 VanDerWaalsContact CZ-SG 3.57Å; Y191-C195 PolarHBondContact O-N 3.39Å; Y191-C195 PolarHBondContact O-SG 2.9Å; Y191-C195 VanDerWaalsContact O-SG 3.33Å
192	Y	98.9	Very high	98.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59	-46.4	179.7	-172.8	-92.7	0	0	0	111.8	T169 F188 L189 N190 A194 C195 S196 F208 L227 C231 V244 R245 I246	T169-Y192 HydrophobicContact CG2-CD2 3.48Å; T169-Y192 VanDerWaalsContact CG2-CD2 3.48Å; T169-Y192 HydrophobicContact CG2-CE2 3.7Å; F188-Y192 WeakPolarHBondContact O-CB 3.41Å; F188-Y192 PolarHBondContact O-N 3.19Å; L189-Y192 WeakPolarHBondContact O-CB 3.33Å; L189-Y192 PolarHBondContact O-N 3.09Å; N190-Y192 VanDerWaalsContact C-N 3.34Å; Y192-A194 VanDerWaalsContact C-N 3.29Å; Y192-A194 PolarHBondContact O-N 3.41Å; Y192-C195 WeakPolarHBondContact O-CB 3.26Å; Y192-C195 PolarHBondContact O-N 3.44Å; Y192-S196 WeakPolarHBondContact O-CB 3.34Å; Y192-S196 PolarHBondContact O-N 2.92Å; Y192-F208 HydrophobicContact CD1-CE1 4.27Å; Y192-F208 AromaticContact CD2-CE1 3.54Å; Y192-F208 HydrophobicContact CD2-CE1 3.54Å; Y192-F208 AromaticContact CD2-CZ 3.76Å; Y192-F208 HydrophobicContact CD2-CZ 3.76Å; Y192-F208 HydrophobicContact CE1-CD1 4.49Å; Y192-F208 HydrophobicContact CE1-CE1 4.05Å; Y192-F208 HydrophobicContact CE2-CD1 4.03Å; Y192-F208 AromaticContact CE2-CE1 3.29Å; Y192-F208 HydrophobicContact CE2-CE1 3.29Å; Y192-F208 AromaticContact CE2-CZ 3.73Å; Y192-F208 HydrophobicContact CE2-CZ 3.73Å; Y192-F208 HydrophobicContact CG-CE1 4.03Å; Y192-F208 AromaticContact CZ-CD1 3.96Å; Y192-F208 AromaticContact CZ-CE1 3.58Å; Y192-L227 HydrophobicContact CD1-CD1 3.74Å; Y192-L227 HydrophobicContact CD2-CD1 3.35Å; Y192-L227 HydrophobicContact CD2-CD2 4.01Å; Y192-L227 HydrophobicContact CD2-CG 4.31Å; Y192-L227 HydrophobicContact CE1-CD1 4.04Å; Y192-L227 HydrophobicContact CE2-CD1 3.69Å; Y192-L227 HydrophobicContact CE2-CD2 3.95Å; Y192-L227 HydrophobicContact CE2-CG 4.35Å; Y192-L227 HydrophobicContact CG-CD1 3.37Å; Y192-C231 WeakPolarHBondContact CE1-SG 3.46Å; Y192-V244 HydrophobicContact CD1-CG1 4.04Å; Y192-V244 HydrophobicContact CE1-CB 4.43Å; Y192-V244 HydrophobicContact CE1-CG1 3.82Å; Y192-R245 WeakPolarHBondContact CE1-O 3.4Å; Y192-R245 PolarHBondContact OH-O 2.97Å; Y192-I246 WeakPolarHBondContact OH-CA 3.44Å; Y192-I246 WeakPolarHBondContact OH-CB 3.5Å
193	D	98.9	Very high	98.7	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-63.4	-37.1	177.9	-69.1	-10	0	0	0	111.6	L189 N190 Y191 S196 E197 H230 N236 Y237 F238 V244	L189-D193 PolarHBondContact O-N 2.92Å; N190-D193 PolarHBondContact O-N 2.86Å; Y191-D193 VanDerWaalsContact C-N 3.34Å; Y191-D193 PolarHBondContact O-N 3.42Å; D193-S196 PolarHBondContact O-N 3.22Å; D193-E197 VanDerWaalsContact O-CB 3.31Å; D193-E197 WeakPolarHBondContact O-CB 3.28Å; D193-E197 WeakPolarHBondContact O-CG 3.19Å; D193-E197 PolarHBondContact O-N 3.15Å; D193-H230 VanDerWaalsContact CG-NE2 3.28Å; D193-H230 IonicContact OD1-CD2 3.89Å; D193-H230 IonicContact OD1-CE1 3.81Å; D193-H230 IonicContact OD1-NE2 2.94Å; D193-H230 PolarHBondContact OD1-NE2 3.22Å; D193-H230 IonicContact OD2-CE1 3.98Å; D193-H230 PolarHBondContact OD2-CE1 3.48Å; D193-H230 IonicContact OD2-NE2 3.62Å; D193-H230 PolarHBondContact OD2-NE2 3.08Å; D193-H230 VanDerWaalsContact OD2-NE2 3.09Å; D193-N236 WeakPolarHBondContact OD2-CA 3.36Å; D193-Y237 WeakPolarHBondContact OD2-CB 3.49Å; D193-Y237 PolarHBondContact OD2-N 2.98Å; D193-F238 HydrophobicContact CB-CD2 4.08Å; D193-F238 HydrophobicContact CB-CE2 4.12Å; D193-V244 WeakPolarHBondContact OD1-CG2 3.46Å
194	A	98.9	Very high	98.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66.5	-41.6	177	0	0	0	0	0	111.6	V139 W142 R143 N190 Y191 Y192 G198 F238	V139-A194 HydrophobicContact CG1-CB 4.31Å; W142-A194 HydrophobicContact CB-CB 4.26Å; W142-A194 HydrophobicContact CG-CB 4.36Å; R143-A194 WeakPolarHBondContact CA-O 3.37Å; R143-A194 HydrophobicContact CB-CB 3.93Å; N190-A194 WeakPolarHBondContact O-CB 3.37Å; N190-A194 PolarHBondContact O-N 3.5Å; Y191-A194 WeakPolarHBondContact O-CB 3.38Å; Y191-A194 PolarHBondContact O-N 3.37Å; Y191-A194 VanDerWaalsContact O-N 3.16Å; Y192-A194 VanDerWaalsContact C-N 3.29Å; Y192-A194 PolarHBondContact O-N 3.41Å; A194-G198 PolarHBondContact O-N 3.36Å; A194-F238 VanDerWaalsContact CA-CE2 3.43Å; A194-F238 HydrophobicContact CB-CE2 3.85Å; A194-F238 HydrophobicContact CB-CZ 3.89Å
195	C	98.9	Very high	98.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.2	-52.2	172.6	-67.8	0	0	0	0	111.7	L122 W142 Y191 Y192 E197 G198 L199 F208	L122-C195 HydrophobicContact CD1-CB 3.61Å; L122-C195 WeakPolarHBondContact CD1-SG 3.35Å; W142-C195 PolarHBondContact NE1-SG 2.85Å; Y191-C195 WeakPolarHBondContact CE2-SG 3.39Å; Y191-C195 VanDerWaalsContact CZ-SG 3.57Å; Y191-C195 PolarHBondContact O-N 3.39Å; Y191-C195 PolarHBondContact O-SG 2.9Å; Y191-C195 VanDerWaalsContact O-SG 3.33Å; Y192-C195 WeakPolarHBondContact O-CB 3.26Å; Y192-C195 PolarHBondContact O-N 3.44Å; C195-E197 PolarHBondContact O-N 3.26Å; C195-G198 PolarHBondContact O-N 3.03Å; C195-L199 WeakPolarHBondContact O-CG 3.45Å; C195-L199 PolarHBondContact O-N 3.34Å; C195-F208 HydrophobicContact CB-CD1 4.49Å; C195-F208 HydrophobicContact CB-CE1 3.64Å; C195-F208 HydrophobicContact CB-CE2 3.8Å; C195-F208 HydrophobicContact CB-CZ 3.26Å
196	S	98.9	Very high	98.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.7	-49.4	-178.2	-169.7	0	0	0	0	111.6	Y192 D193 R200	Y192-S196 WeakPolarHBondContact O-CB 3.34Å; Y192-S196 PolarHBondContact O-N 2.92Å; D193-S196 PolarHBondContact O-N 3.22Å; S196-R200 VanDerWaalsContact O-CB 3.24Å; S196-R200 WeakPolarHBondContact O-CB 3.46Å; S196-R200 PolarHBondContact O-N 2.9Å
197	E	98.9	Very high	98.8	Very high	17 Å²	17	25.2 Å²	25.2	8%	0.079	14%	0.135	C	C	.	.	H	α-helix	trans	-77.1	-25.4	-178	-68.2	-61.3	130.4	0	0	113.4	R143 D193 C195 R200 A201 F238	R143-E197 HydrophobicContact CG-CB 4.45Å; D193-E197 VanDerWaalsContact O-CB 3.31Å; D193-E197 WeakPolarHBondContact O-CB 3.28Å; D193-E197 WeakPolarHBondContact O-CG 3.19Å; D193-E197 PolarHBondContact O-N 3.15Å; C195-E197 PolarHBondContact O-N 3.26Å; E197-R200 IonicContact OE1-NH1 3.95Å; E197-R200 PolarHBondContact OE1-NH1 3.23Å; E197-A201 VanDerWaalsContact O-CB 3.23Å; E197-A201 WeakPolarHBondContact O-CB 3.31Å; E197-A201 PolarHBondContact O-N 3.08Å; E197-F238 HydrophobicContact CB-CD2 4.24Å; E197-F238 HydrophobicContact CG-CB 4.27Å; E197-F238 HydrophobicContact CG-CD2 4.12Å; E197-F238 HydrophobicContact CG-CG 4.45Å
198	G	98.9	Very high	98.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-67.9	-47.9	171.9	0	0	0	0	0	111.5	R143 Y147 A194 C195 A201 A202	R143-G198 WeakPolarHBondContact O-CA 3.33Å; Y147-G198 WeakPolarHBondContact CA-O 3.49Å; A194-G198 PolarHBondContact O-N 3.36Å; C195-G198 PolarHBondContact O-N 3.03Å; G198-A201 PolarHBondContact O-N 2.86Å; G198-A202 PolarHBondContact O-N 2.84Å
199	L	98.9	Very high	98.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.4	-46.9	175.2	-68.3	172	0	0	0	111.3	L122 V146 A150 F167 C195 A201 A202 S203 L206 F208	L122-L199 HydrophobicContact CD1-CD1 4.31Å; V146-L199 HydrophobicContact CG1-CD2 3.87Å; V146-L199 HydrophobicContact CG1-CG 3.66Å; A150-L199 HydrophobicContact CB-CD2 3.93Å; F167-L199 HydrophobicContact CB-CD1 3.66Å; F167-L199 HydrophobicContact CB-CD2 4.44Å; F167-L199 HydrophobicContact CD1-CD1 4.48Å; F167-L199 HydrophobicContact CD1-CD2 3.83Å; F167-L199 HydrophobicContact CD2-CD1 4.33Å; F167-L199 HydrophobicContact CD2-CD2 3.93Å; F167-L199 HydrophobicContact CE1-CD2 3.97Å; F167-L199 HydrophobicContact CE2-CD2 4.08Å; F167-L199 HydrophobicContact CG-CD1 3.93Å; F167-L199 HydrophobicContact CG-CD2 3.8Å; F167-L199 HydrophobicContact CZ-CD2 4.09Å; C195-L199 WeakPolarHBondContact O-CG 3.45Å; C195-L199 PolarHBondContact O-N 3.34Å; L199-A201 VanDerWaalsContact C-N 3.29Å; L199-A201 PolarHBondContact O-N 3.47Å; L199-A202 WeakPolarHBondContact O-CB 3.41Å; L199-A202 PolarHBondContact O-N 3.14Å; L199-S203 PolarHBondContact O-N 2.83Å; L199-S203 VanDerWaalsContact O-O 3.09Å; L199-L206 HydrophobicContact CB-CB 4.49Å; L199-L206 HydrophobicContact CB-CD1 4.38Å; L199-L206 HydrophobicContact CD2-CD1 3.87Å; L199-F208 HydrophobicContact CD1-CB 3.61Å; L199-F208 HydrophobicContact CD1-CD2 3.69Å; L199-F208 HydrophobicContact CD1-CG 3.7Å
200	R	98.7	Very high	98.8	Very high	114 Å²	114	24.4 Å²	24.4	43%	0.43	13%	0.131	S	C	.	.	H	α-helix	trans	-59.4	-39	178.5	-173.2	179.9	-176.4	-175.1	0.8	112.3	S196 E197 A202 S203 E241	S196-R200 VanDerWaalsContact O-CB 3.24Å; S196-R200 WeakPolarHBondContact O-CB 3.46Å; S196-R200 PolarHBondContact O-N 2.9Å; E197-R200 IonicContact OE1-NH1 3.95Å; E197-R200 PolarHBondContact OE1-NH1 3.23Å; R200-A202 VanDerWaalsContact C-N 3.29Å; R200-A202 PolarHBondContact O-N 2.78Å; R200-S203 CarbonylContact O-C 3.6Å; R200-S203 PolarHBondContact O-N 2.78Å; R200-E241 IonicContact NH1-OE2 3.52Å
201	A	98.8	Very high	98.8	Very high	51 Å²	51	24 Å²	24	42%	0.421	13%	0.129	S	C	.	.	H	α-helix	trans	-65.9	-30.4	176	0	0	0	0	0	112.9	Y147 E197 G198 L199	Y147-A201 HydrophobicContact CD2-CB 3.79Å; Y147-A201 HydrophobicContact CE2-CB 4.34Å; E197-A201 VanDerWaalsContact O-CB 3.23Å; E197-A201 WeakPolarHBondContact O-CB 3.31Å; E197-A201 PolarHBondContact O-N 3.08Å; G198-A201 PolarHBondContact O-N 2.86Å; L199-A201 VanDerWaalsContact C-N 3.29Å; L199-A201 PolarHBondContact O-N 3.47Å
202	A	98.8	Very high	98.7	Very high	23 Å²	23	24 Å²	24	19%	0.19	13%	0.129	C	C	.	.	H	α-helix	trans	-77.5	-47.1	174.1	0	0	0	0	0	111.4	Y147 A150 I154 G198 L199 R200 L206	Y147-A202 HydrophobicContact CD2-CB 3.93Å; Y147-A202 HydrophobicContact CE2-CB 4.27Å; A150-A202 HydrophobicContact CB-CB 3.5Å; A150-A202 VanDerWaalsContact CB-CB 3.5Å; I154-A202 HydrophobicContact CD1-CB 4.26Å; G198-A202 PolarHBondContact O-N 2.84Å; L199-A202 WeakPolarHBondContact O-CB 3.41Å; L199-A202 PolarHBondContact O-N 3.14Å; R200-A202 VanDerWaalsContact C-N 3.29Å; R200-A202 PolarHBondContact O-N 2.78Å; A202-L206 HydrophobicContact CB-CD1 4.31Å
203	S	98.8	Very high	98.7	Very high	12 Å²	12	24 Å²	24	8%	0.084	13%	0.129	C	C	.	.			trans	-168.4	137.8	170.5	174.3	0	0	0	0	111.8	L159 L199 R200 L205 L206	L159-S203 WeakPolarHBondContact CD1-OG 3.38Å; L199-S203 PolarHBondContact O-N 2.83Å; L199-S203 VanDerWaalsContact O-O 3.09Å; R200-S203 CarbonylContact O-C 3.6Å; R200-S203 PolarHBondContact O-N 2.78Å; S203-L205 PolarHBondContact O-N 2.84Å; S203-L205 VanDerWaalsContact O-N 3.15Å; S203-L205 PolarHBondContact OG-N 2.84Å; S203-L206 PolarHBondContact O-N 3.29Å
204	P	98.1	Very high	98.6	Very high	93 Å²	93	25.1 Å²	25.1	60%	0.604	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-5.9	174.6	31.6	-37.2	0	0	0	113.8	R245	P204-R245 PolarHBondContact O-NH2 2.78Å
205	L	98.5	Very high	98.5	Very high	112 Å²	112	25.1 Å²	25.1	59%	0.586	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-10.2	178	-60.6	-175.1	0	0	0	113.8	L159 S163 S203	L159-L205 HydrophobicContact CD1-CB 4.47Å; L159-L205 HydrophobicContact CD2-CD1 3.94Å; L159-L205 HydrophobicContact CG-CD1 4.48Å; S163-L205 WeakPolarHBondContact CB-O 3.47Å; S203-L205 PolarHBondContact O-N 2.84Å; S203-L205 VanDerWaalsContact O-N 3.15Å; S203-L205 PolarHBondContact OG-N 2.84Å
206	L	98.8	Very high	98.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-72.5	140.2	176.4	-59.2	-176	0	0	0	110	A150 I154 L159 V162 F167 L199 A202 S203 R245	A150-L206 HydrophobicContact CB-CD1 3.66Å; I154-L206 HydrophobicContact CD1-CD1 4.08Å; I154-L206 HydrophobicContact CD1-CD2 4.22Å; I154-L206 HydrophobicContact CD1-CG 4.44Å; L159-L206 HydrophobicContact CD1-CD2 4.05Å; V162-L206 HydrophobicContact CB-CD2 4.31Å; V162-L206 HydrophobicContact CG1-CD2 3.81Å; F167-L206 HydrophobicContact CD2-CB 4.47Å; F167-L206 HydrophobicContact CE2-CB 4.39Å; F167-L206 HydrophobicContact CE2-CD1 4.26Å; F167-L206 HydrophobicContact CE2-CD2 4.29Å; L199-L206 HydrophobicContact CB-CB 4.49Å; L199-L206 HydrophobicContact CB-CD1 4.38Å; L199-L206 HydrophobicContact CD2-CD1 3.87Å; A202-L206 HydrophobicContact CB-CD1 4.31Å; S203-L206 PolarHBondContact O-N 3.29Å; L206-R245 PolarHBondContact O-NH1 2.82Å; L206-R245 PolarHBondContact O-NH2 3.12Å
207	R	98.6	Very high	98.1	Very high	80 Å²	80	31.1 Å²	31.1	30%	0.302	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	136.4	-179.5	-63.6	-176.6	-71.2	152.6	0.6	111.1	S163 Q164 N166 F167 D247 Y286	S163-R207 PolarHBondContact O-NE 3.46Å; Q164-R207 VanDerWaalsContact C-NH2 3.31Å; Q164-R207 PolarHBondContact O-NH2 3.33Å; N166-R207 PolarHBondContact OD1-NH1 2.73Å; N166-R207 PolarHBondContact OD1-NH2 2.79Å; F167-R207 WeakPolarHBondContact CB-O 3.41Å; F167-R207 PolarHBondContact N-O 3.12Å; R207-D247 WeakPolarHBondContact CA-OD2 3.33Å; R207-D247 HydrophobicContact CB-CB 4.39Å; R207-Y286 PolarHBondContact NH1-OH 3.29Å; R207-Y286 VanDerWaalsContact NH1-OH 3.16Å
208	F	98.9	Very high	97.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	130.2	177.1	-174.9	-127.4	0	0	0	112.3	L122 F167 T169 Y192 C195 L199 D247	L122-F208 HydrophobicContact CD1-CD2 4.41Å; L122-F208 HydrophobicContact CD1-CE2 3.96Å; F167-F208 HydrophobicContact CB-CD2 4.04Å; F167-F208 VanDerWaalsContact O-CA 3.3Å; F167-F208 WeakPolarHBondContact O-CA 3.43Å; F167-F208 WeakPolarHBondContact O-CD2 3.42Å; T169-F208 HydrophobicContact CG2-CE2 4.29Å; T169-F208 HydrophobicContact CG2-CZ 3.85Å; Y192-F208 HydrophobicContact CD1-CE1 4.27Å; Y192-F208 AromaticContact CD2-CE1 3.54Å; Y192-F208 HydrophobicContact CD2-CE1 3.54Å; Y192-F208 AromaticContact CD2-CZ 3.76Å; Y192-F208 HydrophobicContact CD2-CZ 3.76Å; Y192-F208 HydrophobicContact CE1-CD1 4.49Å; Y192-F208 HydrophobicContact CE1-CE1 4.05Å; Y192-F208 HydrophobicContact CE2-CD1 4.03Å; Y192-F208 AromaticContact CE2-CE1 3.29Å; Y192-F208 HydrophobicContact CE2-CE1 3.29Å; Y192-F208 AromaticContact CE2-CZ 3.73Å; Y192-F208 HydrophobicContact CE2-CZ 3.73Å; Y192-F208 HydrophobicContact CG-CE1 4.03Å; Y192-F208 AromaticContact CZ-CD1 3.96Å; Y192-F208 AromaticContact CZ-CE1 3.58Å; C195-F208 HydrophobicContact CB-CD1 4.49Å; C195-F208 HydrophobicContact CB-CE1 3.64Å; C195-F208 HydrophobicContact CB-CE2 3.8Å; C195-F208 HydrophobicContact CB-CZ 3.26Å; L199-F208 HydrophobicContact CD1-CB 3.61Å; L199-F208 HydrophobicContact CD1-CD2 3.69Å; L199-F208 HydrophobicContact CD1-CG 3.7Å; F208-D247 PolarHBondContact N-OD2 2.87Å; F208-D247 WeakPolarHBondContact O-CB 3.44Å; F208-D247 PolarHBondContact O-N 2.91Å
209	G	98.8	Very high	97.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	-178	-178.6	0	0	0	0	0	113.7	F167 E168 T169 Y248	F167-G209 PolarHBondContact O-N 2.9Å; F167-G209 VanDerWaalsContact O-N 3.08Å; E168-G209 WeakPolarHBondContact CA-O 3.45Å; T169-G209 PolarHBondContact N-O 3.45Å; T169-G209 VanDerWaalsContact N-O 3.13Å; G209-Y248 WeakPolarHBondContact CA-O 3.47Å; G209-Y248 VanDerWaalsContact N-CE1 3.29Å
210	G	98.6	Very high	97.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.2	-171.1	-177.6	0	0	0	0	0	111.8	T169 Y248 I249 A250	T169-G210 VanDerWaalsContact OG1-CA 3.31Å; T169-G210 WeakPolarHBondContact OG1-CA 3.25Å; G210-Y248 PolarHBondContact N-O 2.91Å; G210-I249 WeakPolarHBondContact O-CA 3.5Å; G210-A250 PolarHBondContact O-N 3.11Å
211	P	98.2	Very high	97.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-81.9	-10.8	1.6	33.7	-37.8	0	0	0	114.9	T169 P173 F188 D213 C224 L227 A250	T169-P211 VanDerWaalsContact OG1-CA 3.25Å; T169-P211 WeakPolarHBondContact OG1-CA 3.41Å; T169-P211 PolarHBondContact OG1-O 3.5Å; P173-P211 HydrophobicContact CG-CB 4.11Å; F188-P211 HydrophobicContact CZ-CB 4.46Å; P211-D213 HydrophobicContact CB-CB 4.35Å; P211-D213 HydrophobicContact CG-CB 4Å; P211-C224 HydrophobicContact CG-CB 3.77Å; P211-L227 HydrophobicContact CB-CD2 3.9Å; P211-A250 WeakPolarHBondContact CD-O 3.42Å
212	G	98.3	Very high	97.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.4	55.3	-171.1	0	0	0	0	0	111	E172 A250 H252	E172-G212 VanDerWaalsContact CA-O 3.23Å; E172-G212 WeakPolarHBondContact CA-O 3.48Å; E172-G212 WeakPolarHBondContact CG-O 3.17Å; E172-G212 PolarHBondContact N-O 2.84Å; G212-A250 PolarHBondContact N-O 3.07Å; G212-A250 VanDerWaalsContact N-O 3.1Å; G212-H252 VanDerWaalsContact C-CE1 3.46Å; G212-H252 PolarHBondContact O-CE1 2.63Å; G212-H252 PolarHBondContact O-ND1 2.91Å; G212-H252 PolarHBondContact O-NE2 3.08Å
213	D	98.1	Very high	97.2	Very high	1 Å²	1	41 Å²	41	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	165.9	-174.1	-154.4	-52.1	0	0	0	111.7	P173 N174 P211 C215 L251 H252	P173-D213 VanDerWaalsContact CD-OD2 3.27Å; P173-D213 WeakPolarHBondContact CD-OD2 3.41Å; N174-D213 WeakPolarHBondContact CB-OD2 3.18Å; N174-D213 PolarHBondContact N-OD2 2.92Å; P211-D213 HydrophobicContact CB-CB 4.35Å; P211-D213 HydrophobicContact CG-CB 4Å; D213-C215 PolarHBondContact O-N 3.48Å; D213-L251 CarbonylContact O-C 3.5Å; D213-L251 VanDerWaalsContact O-CA 3.31Å; D213-L251 WeakPolarHBondContact O-CA 3.39Å; D213-H252 PolarHBondContact O-N 3.04Å
214	S	96.6	Very high	97.2	Very high	25 Å²	25	40.5 Å²	40.5	18%	0.175	22%	0.221	C	C	.	.			trans	-61.8	-23.6	174.5	-69.4	0	0	0	0	113.8	H216 K253	S214-H216 VanDerWaalsContact C-N 3.26Å; S214-H216 PolarHBondContact O-N 2.96Å; S214-H216 VanDerWaalsContact O-N 3.11Å; S214-K253 VanDerWaalsContact O-CE 3.27Å; S214-K253 WeakPolarHBondContact O-CE 3.25Å; S214-K253 PolarHBondContact O-NZ 3.45Å
215	C	97.4	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.			trans	45.1	46.7	178.4	-67.1	0	0	0	0	113.8	D213 C224 L251 T269	D213-C215 PolarHBondContact O-N 3.48Å; C215-C224 HydrophobicContact CB-CB 3.95Å; C215-C224 WeakPolarHBondContact CB-SG 3.43Å; C215-C224 WeakPolarHBondContact SG-CB 3.38Å; C215-C224 CovalentContact SG-SG 2.04Å; C215-C224 PolarHBondContact SG-SG 3.2Å; C215-L251 HydrophobicContact CB-CD2 3.78Å; C215-L251 WeakPolarHBondContact SG-CD2 3.13Å; C215-T269 HydrophobicContact CB-CG2 3.86Å; C215-T269 WeakPolarHBondContact O-CG2 3.44Å
216	H	96.6	Very high	97.2	Very high	75 Å²	75	32.9 Å²	32.9	35%	0.347	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-62	145.3	174	-66.5	-54.3	0	0	0	110.6	S214 A218 R220 S221 W225	S214-H216 VanDerWaalsContact C-N 3.26Å; S214-H216 PolarHBondContact O-N 2.96Å; S214-H216 VanDerWaalsContact O-N 3.11Å; H216-A218 PolarHBondContact O-N 2.88Å; H216-R220 HydrophobicContact CB-CB 3.65Å; H216-S221 PolarHBondContact N-OG 2.64Å; H216-W225 PolarHBondContact O-NE1 3.46Å
217	S	93.8	Very high	97.2	Very high	51 Å²	51	32.9 Å²	32.9	36%	0.357	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	143	178.9	-52.4	0	0	0	0	111.8	R220 E272	S217-R220 PolarHBondContact O-N 3.48Å; S217-R220 VanDerWaalsContact O-N 3.15Å; S217-E272 WeakPolarHBondContact CB-OE2 3.27Å; S217-E272 PolarHBondContact OG-OE2 3.05Å
218	A	89.3	Confident	97.2	Very high	53 Å²	53	29 Å²	29	44%	0.438	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	140.3	-178.8	0	0	0	0	0	111.3	H216	H216-A218 PolarHBondContact O-N 2.88Å
219	P	93.8	Very high	97.2	Very high	120 Å²	120	33 Å²	33	78%	0.779	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	cis	-96.4	18.2	10.8	38.4	-36.9	0	0	0	114.7	P222	P219-P222 WeakPolarHBondContact O-CD 3.31Å
220	R	96	Very high	97.2	Very high	183 Å²	183	33.7 Å²	33.7	69%	0.691	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-36.2	-167	-70.8	-176.5	-179.3	176.8	1.8	115.7	N174 H216 S217 P222	N174-R220 PolarHBondContact ND2-O 3.04Å; N174-R220 PolarHBondContact OD1-O 3.44Å; H216-R220 HydrophobicContact CB-CB 3.65Å; S217-R220 PolarHBondContact O-N 3.48Å; S217-R220 VanDerWaalsContact O-N 3.15Å; R220-P222 VanDerWaalsContact O-CD 3.27Å; R220-P222 WeakPolarHBondContact O-CD 3.34Å
221	S	97.5	Very high	97.2	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.			trans	-117	64.5	179.6	-63	0	0	0	0	111.7	N174 H216 F223 C224 W225	N174-S221 WeakPolarHBondContact OD1-CA 3.38Å; H216-S221 PolarHBondContact N-OG 2.64Å; S221-F223 VanDerWaalsContact C-N 3.3Å; S221-F223 PolarHBondContact O-N 3.18Å; S221-C224 PolarHBondContact O-N 2.76Å; S221-W225 PolarHBondContact O-N 3.35Å
222	P	98.1	Very high	97.2	Very high	50 Å²	50	38 Å²	38	33%	0.325	20%	0.203	S	C	.	.	H	α-helix	trans	-56.5	-36.6	-175.9	22.5	-37.3	0	0	0	114.3	N174 I185 P219 R220 W225 A226	N174-P222 WeakPolarHBondContact OD1-CD 3.39Å; I185-P222 HydrophobicContact CD1-CB 3.83Å; I185-P222 HydrophobicContact CD1-CG 4.5Å; P219-P222 WeakPolarHBondContact O-CD 3.31Å; R220-P222 VanDerWaalsContact O-CD 3.27Å; R220-P222 WeakPolarHBondContact O-CD 3.34Å; P222-W225 PolarHBondContact O-N 3.04Å; P222-A226 WeakPolarHBondContact O-CB 3.41Å; P222-A226 PolarHBondContact O-N 3.39Å
223	F	98.4	Very high	97.2	Very high	7 Å²	7	42 Å²	42	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-46.8	178	-76.2	-93.2	0	0	0	112.2	P173 N174 H176 M183 I185 F188 S221 A226 L227	P173-F223 HydrophobicContact CB-CB 3.96Å; P173-F223 HydrophobicContact CB-CD1 3.94Å; P173-F223 HydrophobicContact CB-CG 3.96Å; P173-F223 HydrophobicContact CG-CB 3.85Å; P173-F223 HydrophobicContact CG-CG 4.41Å; N174-F223 HydrophobicContact CB-CD2 4.5Å; H176-F223 AromaticContact CE1-CE2 3.66Å; M183-F223 HydrophobicContact CG-CE1 4.33Å; I185-F223 HydrophobicContact CG1-CD1 4.32Å; I185-F223 HydrophobicContact CG1-CD2 4.41Å; I185-F223 HydrophobicContact CG1-CE1 4.15Å; I185-F223 HydrophobicContact CG1-CE2 4.22Å; I185-F223 HydrophobicContact CG1-CG 4.46Å; I185-F223 HydrophobicContact CG1-CZ 4.09Å; F188-F223 HydrophobicContact CB-CD1 3.75Å; F188-F223 HydrophobicContact CB-CE1 3.8Å; F188-F223 AromaticContact CD1-CD1 3.86Å; F188-F223 HydrophobicContact CD1-CD1 3.86Å; F188-F223 HydrophobicContact CD2-CD1 4.45Å; F188-F223 AromaticContact CG-CD1 3.78Å; F188-F223 HydrophobicContact CG-CD1 3.78Å; F188-F223 HydrophobicContact CG-CE1 4.25Å; S221-F223 VanDerWaalsContact C-N 3.3Å; S221-F223 PolarHBondContact O-N 3.18Å; F223-A226 PolarHBondContact O-N 3.41Å; F223-L227 WeakPolarHBondContact O-CB 2.8Å; F223-L227 PolarHBondContact O-N 3.49Å
224	C	98.3	Very high	97.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.6	-52.3	178	175	0	0	0	0	111.7	P211 C215 S221 A226 L227 L228	P211-C224 HydrophobicContact CG-CB 3.77Å; C215-C224 HydrophobicContact CB-CB 3.95Å; C215-C224 WeakPolarHBondContact CB-SG 3.43Å; C215-C224 WeakPolarHBondContact SG-CB 3.38Å; C215-C224 CovalentContact SG-SG 2.04Å; C215-C224 PolarHBondContact SG-SG 3.2Å; S221-C224 PolarHBondContact O-N 2.76Å; C224-A226 PolarHBondContact O-N 2.9Å; C224-L227 PolarHBondContact O-N 2.99Å; C224-L228 WeakPolarHBondContact O-CG 3.49Å; C224-L228 PolarHBondContact O-N 2.88Å
225	W	98.6	Very high	97.3	Very high	20 Å²	20	45.6 Å²	45.6	8%	0.076	25%	0.248	C	C	.	.	H	α-helix	trans	-68.6	-34.5	-177.6	-63.7	113.5	0	0	0	112.9	H216 S221 P222 L228 Q229 E272 I273 F277	H216-W225 PolarHBondContact O-NE1 3.46Å; S221-W225 PolarHBondContact O-N 3.35Å; P222-W225 PolarHBondContact O-N 3.04Å; W225-L228 HydrophobicContact CE3-CD1 4.18Å; W225-L228 HydrophobicContact CZ3-CD1 4.19Å; W225-Q229 VanDerWaalsContact O-CB 3.28Å; W225-Q229 WeakPolarHBondContact O-CB 3.13Å; W225-Q229 PolarHBondContact O-N 3.44Å; W225-E272 HydrophobicContact CH2-CB 4.04Å; W225-E272 HydrophobicContact CH2-CG 3.59Å; W225-E272 HydrophobicContact CZ2-CG 4.16Å; W225-E272 HydrophobicContact CZ3-CG 4.28Å; W225-I273 HydrophobicContact CH2-CG1 3.87Å; W225-I273 HydrophobicContact CZ3-CG1 3.78Å; W225-F277 HydrophobicContact CE3-CE2 4.01Å; W225-F277 HydrophobicContact CZ3-CE2 4.13Å
226	A	98.7	Very high	97.4	Very high	25 Å²	25	45.8 Å²	45.8	21%	0.207	25%	0.249	C	C	.	.	H	α-helix	trans	-66	-43.1	174.3	0	0	0	0	0	111.6	I185 P222 F223 C224 Q229 H230	I185-A226 HydrophobicContact CG2-CB 3.46Å; I185-A226 VanDerWaalsContact CG2-CB 3.46Å; P222-A226 WeakPolarHBondContact O-CB 3.41Å; P222-A226 PolarHBondContact O-N 3.39Å; F223-A226 PolarHBondContact O-N 3.41Å; C224-A226 PolarHBondContact O-N 2.9Å; A226-Q229 PolarHBondContact O-N 3.28Å; A226-H230 VanDerWaalsContact O-CB 3.26Å; A226-H230 WeakPolarHBondContact O-CB 3.24Å; A226-H230 PolarHBondContact O-N 2.81Å
227	L	98.8	Very high	97.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-49.5	176.3	176.3	62.7	0	0	0	111.5	T169 F188 L189 Y192 P211 F223 C224 Q229 H230 C231	T169-L227 HydrophobicContact CG2-CD2 4.44Å; F188-L227 HydrophobicContact CE1-CB 4.1Å; F188-L227 HydrophobicContact CE1-CD2 3.98Å; F188-L227 HydrophobicContact CE1-CG 4.42Å; F188-L227 HydrophobicContact CZ-CD2 4.42Å; L189-L227 HydrophobicContact CD2-CB 4.36Å; L189-L227 HydrophobicContact CD2-CD1 4.28Å; Y192-L227 HydrophobicContact CD1-CD1 3.74Å; Y192-L227 HydrophobicContact CD2-CD1 3.35Å; Y192-L227 HydrophobicContact CD2-CD2 4.01Å; Y192-L227 HydrophobicContact CD2-CG 4.31Å; Y192-L227 HydrophobicContact CE1-CD1 4.04Å; Y192-L227 HydrophobicContact CE2-CD1 3.69Å; Y192-L227 HydrophobicContact CE2-CD2 3.95Å; Y192-L227 HydrophobicContact CE2-CG 4.35Å; Y192-L227 HydrophobicContact CG-CD1 3.37Å; P211-L227 HydrophobicContact CB-CD2 3.9Å; F223-L227 WeakPolarHBondContact O-CB 2.8Å; F223-L227 PolarHBondContact O-N 3.49Å; C224-L227 PolarHBondContact O-N 2.99Å; L227-Q229 VanDerWaalsContact C-N 3.3Å; L227-Q229 PolarHBondContact O-N 3.09Å; L227-H230 WeakPolarHBondContact O-CB 3.28Å; L227-H230 PolarHBondContact O-N 3.27Å; L227-H230 VanDerWaalsContact O-N 3.15Å; L227-C231 PolarHBondContact O-N 2.95Å; L227-C231 PolarHBondContact O-SG 2.87Å; L227-C231 VanDerWaalsContact O-SG 3.37Å
228	L	98.8	Very high	97.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-41.1	179.4	-66.1	179	0	0	0	111.6	C224 W225 Y232 I246 I249 I273 F277 F280	C224-L228 WeakPolarHBondContact O-CG 3.49Å; C224-L228 PolarHBondContact O-N 2.88Å; W225-L228 HydrophobicContact CE3-CD1 4.18Å; W225-L228 HydrophobicContact CZ3-CD1 4.19Å; L228-Y232 VanDerWaalsContact O-CB 3.25Å; L228-Y232 WeakPolarHBondContact O-CB 3.49Å; L228-Y232 PolarHBondContact O-N 3.2Å; L228-I246 HydrophobicContact CD2-CD1 3.99Å; L228-I249 HydrophobicContact CD2-CD1 3.91Å; L228-I249 HydrophobicContact CD2-CG1 3.96Å; L228-I249 HydrophobicContact CD2-CG2 4.27Å; L228-I273 HydrophobicContact CD1-CD1 3.89Å; L228-I273 HydrophobicContact CD1-CG1 3.77Å; L228-I273 HydrophobicContact CD1-CG2 4.3Å; L228-F277 HydrophobicContact CB-CD2 4Å; L228-F277 HydrophobicContact CB-CE2 3.5Å; L228-F277 HydrophobicContact CB-CZ 3.9Å; L228-F277 HydrophobicContact CD1-CD2 4.4Å; L228-F277 HydrophobicContact CD1-CE2 4.09Å; L228-F277 HydrophobicContact CG-CE2 4.46Å; L228-F280 HydrophobicContact CB-CE2 4.24Å; L228-F280 HydrophobicContact CD2-CD2 4.43Å; L228-F280 HydrophobicContact CD2-CE2 4.15Å; L228-F280 WeakPolarHBondContact O-CE2 3.17Å
229	Q	98.7	Very high	98.1	Very high	82 Å²	82	46.9 Å²	46.9	38%	0.383	24%	0.24	S	C	.	.	H	α-helix	trans	-62	-44.5	174.2	-174.3	65.8	67.2	0	0	111.9	W225 A226 L227 Y232 N233 G234 F277	W225-Q229 VanDerWaalsContact O-CB 3.28Å; W225-Q229 WeakPolarHBondContact O-CB 3.13Å; W225-Q229 PolarHBondContact O-N 3.44Å; A226-Q229 PolarHBondContact O-N 3.28Å; L227-Q229 VanDerWaalsContact C-N 3.3Å; L227-Q229 PolarHBondContact O-N 3.09Å; Q229-Y232 PolarHBondContact O-N 3.45Å; Q229-N233 PolarHBondContact NE2-ND2 2.99Å; Q229-N233 PolarHBondContact NE2-OD1 2.88Å; Q229-N233 PolarHBondContact O-N 3.08Å; Q229-N233 PolarHBondContact O-OD1 3.48Å; Q229-N233 VanDerWaalsContact O-OD1 3.1Å; Q229-G234 PolarHBondContact O-N 3.21Å; Q229-F277 HydrophobicContact CB-CE1 4.2Å; Q229-F277 HydrophobicContact CB-CZ 4.23Å
230	H	98.8	Very high	98.4	Very high	15 Å²	15	43.6 Å²	43.6	7%	0.069	23%	0.227	C	C	.	.	H	α-helix	trans	-62	-46.7	178.8	179.3	70.7	0	0	0	112.1	L189 D193 A226 L227 Y232 G234 T235	L189-H230 HydrophobicContact CD1-CB 3.99Å; L189-H230 HydrophobicContact CD2-CB 3.63Å; L189-H230 HydrophobicContact CG-CB 4.34Å; D193-H230 VanDerWaalsContact CG-NE2 3.28Å; D193-H230 IonicContact OD1-CD2 3.89Å; D193-H230 IonicContact OD1-CE1 3.81Å; D193-H230 IonicContact OD1-NE2 2.94Å; D193-H230 PolarHBondContact OD1-NE2 3.22Å; D193-H230 IonicContact OD2-CE1 3.98Å; D193-H230 PolarHBondContact OD2-CE1 3.48Å; D193-H230 IonicContact OD2-NE2 3.62Å; D193-H230 PolarHBondContact OD2-NE2 3.08Å; D193-H230 VanDerWaalsContact OD2-NE2 3.09Å; A226-H230 VanDerWaalsContact O-CB 3.26Å; A226-H230 WeakPolarHBondContact O-CB 3.24Å; A226-H230 PolarHBondContact O-N 2.81Å; L227-H230 WeakPolarHBondContact O-CB 3.28Å; L227-H230 PolarHBondContact O-N 3.27Å; L227-H230 VanDerWaalsContact O-N 3.15Å; H230-Y232 VanDerWaalsContact C-N 3.28Å; H230-Y232 PolarHBondContact O-N 3.41Å; H230-G234 WeakPolarHBondContact O-CA 3.35Å; H230-G234 PolarHBondContact O-N 3.41Å; H230-T235 PolarHBondContact CE1-O 2.86Å; H230-T235 VanDerWaalsContact CE1-O 3.28Å
231	C	98.8	Very high	98.5	Very high	6 Å²	6	39.9 Å²	39.9	4%	0.041	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-34.3	175.5	-63.3	0	0	0	0	112.1	Y192 L227 G243 V244 I246 F280	Y192-C231 WeakPolarHBondContact CE1-SG 3.46Å; L227-C231 PolarHBondContact O-N 2.95Å; L227-C231 PolarHBondContact O-SG 2.87Å; L227-C231 VanDerWaalsContact O-SG 3.37Å; C231-G243 VanDerWaalsContact O-CA 3.28Å; C231-G243 WeakPolarHBondContact O-CA 3.5Å; C231-V244 WeakPolarHBondContact CB-O 3.31Å; C231-V244 PolarHBondContact O-N 3.41Å; C231-I246 HydrophobicContact CB-CB 4.19Å; C231-I246 HydrophobicContact CB-CG2 3.94Å; C231-F280 HydrophobicContact CB-CZ 4Å
232	Y	98.4	Very high	98.5	Very high	85 Å²	85	45.1 Å²	45.1	33%	0.333	25%	0.25	S	S	.	.	H	α-helix	trans	-72.9	-45.5	-177.5	-172.3	-96.2	0	0	0	113.2	L228 Q229 H230 F277 S279 F280	L228-Y232 VanDerWaalsContact O-CB 3.25Å; L228-Y232 WeakPolarHBondContact O-CB 3.49Å; L228-Y232 PolarHBondContact O-N 3.2Å; Q229-Y232 PolarHBondContact O-N 3.45Å; H230-Y232 VanDerWaalsContact C-N 3.28Å; H230-Y232 PolarHBondContact O-N 3.41Å; Y232-F277 HydrophobicContact CD1-CD1 4.04Å; Y232-F277 HydrophobicContact CD2-CB 3.64Å; Y232-F277 AromaticContact CD2-CD1 3.88Å; Y232-F277 HydrophobicContact CD2-CD1 3.88Å; Y232-F277 HydrophobicContact CD2-CG 4.2Å; Y232-F277 HydrophobicContact CE2-CB 3.93Å; Y232-F277 HydrophobicContact CE2-CD1 4.49Å; Y232-F277 HydrophobicContact CG-CB 4.29Å; Y232-F277 AromaticContact CG-CD1 3.61Å; Y232-F277 HydrophobicContact CG-CD1 3.61Å; Y232-F277 HydrophobicContact CG-CE1 4.46Å; Y232-F277 HydrophobicContact CG-CG 4.36Å; Y232-S279 WeakPolarHBondContact CD2-OG 3.37Å; Y232-S279 WeakPolarHBondContact CE2-OG 3.21Å; Y232-F280 HydrophobicContact CD2-CD1 4.47Å; Y232-F280 HydrophobicContact CD2-CE1 4.15Å; Y232-F280 HydrophobicContact CD2-CE2 4.3Å; Y232-F280 HydrophobicContact CD2-CZ 4.06Å; Y232-F280 HydrophobicContact CG-CZ 4.43Å
233	N	97.9	Very high	98.5	Very high	83 Å²	83	43.6 Å²	43.6	44%	0.444	24%	0.244	S	C	.	.	H	α-helix	trans	-154.5	13.9	-177.2	72.1	0.2	0	0	0	115.1	Q229 T242	Q229-N233 PolarHBondContact NE2-ND2 2.99Å; Q229-N233 PolarHBondContact NE2-OD1 2.88Å; Q229-N233 PolarHBondContact O-N 3.08Å; Q229-N233 PolarHBondContact O-OD1 3.48Å; Q229-N233 VanDerWaalsContact O-OD1 3.1Å; N233-T242 HydrophobicContact CB-CG2 4.45Å
234	G	98.3	Very high	98.5	Very high	14 Å²	14	43.8 Å²	43.8	14%	0.144	25%	0.245	C	C	.	.			trans	-67.1	-174.3	172	0	0	0	0	0	112	Q229 H230 T242 G243	Q229-G234 PolarHBondContact O-N 3.21Å; H230-G234 WeakPolarHBondContact O-CA 3.35Å; H230-G234 PolarHBondContact O-N 3.41Å; G234-T242 CarbonylContact O-C 3.53Å; G234-T242 VanDerWaalsContact O-CA 3.3Å; G234-T242 WeakPolarHBondContact O-CA 3.5Å; G234-G243 PolarHBondContact O-N 3.46Å
235	T	98.7	Very high	98.5	Very high	88 Å²	88	46.6 Å²	46.6	54%	0.54	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-115.9	120.3	178.3	-57.8	0	0	0	0	108.9	H230 Y237 E241	H230-T235 PolarHBondContact CE1-O 2.86Å; H230-T235 VanDerWaalsContact CE1-O 3.28Å; T235-Y237 PolarHBondContact O-N 3.48Å; T235-E241 WeakPolarHBondContact CA-O 3.42Å
236	N	98.8	Very high	98.5	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.027	26%	0.256	C	S	.	.			trans	-59.6	128.4	176.7	-176.1	-69.5	0	0	0	110.7	D193 F238 T239 G240 E241 V244	D193-N236 WeakPolarHBondContact OD2-CA 3.36Å; N236-F238 VanDerWaalsContact C-N 3.28Å; N236-F238 PolarHBondContact O-N 2.93Å; N236-F238 PolarHBondContact OD1-N 3.5Å; N236-T239 WeakPolarHBondContact CB-OG1 3.08Å; N236-T239 PolarHBondContact OD1-N 2.81Å; N236-T239 PolarHBondContact OD1-OG1 3.34Å; N236-G240 WeakPolarHBondContact O-CA 3.29Å; N236-G240 PolarHBondContact O-N 2.9Å; N236-E241 PolarHBondContact N-O 2.86Å; N236-V244 HydrophobicContact CB-CG2 3.96Å
237	Y	98.7	Very high	98.5	Very high	81 Å²	81	47.7 Å²	47.7	32%	0.318	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-37.6	-178	-175.2	-85.4	0	0	0	113.7	K136 V139 N190 D193 T235	K136-Y237 WeakPolarHBondContact CB-OH 3.32Å; K136-Y237 WeakPolarHBondContact CG-OH 3.4Å; V139-Y237 HydrophobicContact CB-CE1 4.45Å; V139-Y237 HydrophobicContact CG1-CD1 3.87Å; V139-Y237 HydrophobicContact CG1-CE1 3.68Å; V139-Y237 HydrophobicContact CG1-CG 4.39Å; N190-Y237 HydrophobicContact CB-CD2 4.31Å; N190-Y237 WeakPolarHBondContact OD1-CD2 3.42Å; D193-Y237 WeakPolarHBondContact OD2-CB 3.49Å; D193-Y237 PolarHBondContact OD2-N 2.98Å; T235-Y237 PolarHBondContact O-N 3.48Å
238	F	98.7	Very high	98.5	Very high	62 Å²	62	47.7 Å²	47.7	27%	0.272	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-40.1	-173.4	-64.8	-88.7	0	0	0	113.2	V139 V140 R143 D193 A194 E197 N236	V139-F238 HydrophobicContact CG1-CE2 4.15Å; V139-F238 HydrophobicContact CG1-CZ 3.71Å; V140-F238 HydrophobicContact CG2-CE1 4.22Å; R143-F238 HydrophobicContact CB-CE1 4.09Å; R143-F238 HydrophobicContact CB-CZ 3.77Å; R143-F238 HydrophobicContact CG-CE1 4.32Å; R143-F238 HydrophobicContact CG-CZ 4.23Å; D193-F238 HydrophobicContact CB-CD2 4.08Å; D193-F238 HydrophobicContact CB-CE2 4.12Å; A194-F238 VanDerWaalsContact CA-CE2 3.43Å; A194-F238 HydrophobicContact CB-CE2 3.85Å; A194-F238 HydrophobicContact CB-CZ 3.89Å; E197-F238 HydrophobicContact CB-CD2 4.24Å; E197-F238 HydrophobicContact CG-CB 4.27Å; E197-F238 HydrophobicContact CG-CD2 4.12Å; E197-F238 HydrophobicContact CG-CG 4.45Å; N236-F238 VanDerWaalsContact C-N 3.28Å; N236-F238 PolarHBondContact O-N 2.93Å; N236-F238 PolarHBondContact OD1-N 3.5Å
239	T	98.3	Very high	98.5	Very high	59 Å²	59	47.7 Å²	47.7	36%	0.362	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-21.8	-172.9	68.2	0	0	0	0	113.2	N236 E241	N236-T239 WeakPolarHBondContact CB-OG1 3.08Å; N236-T239 PolarHBondContact OD1-N 2.81Å; N236-T239 PolarHBondContact OD1-OG1 3.34Å; T239-E241 PolarHBondContact O-N 3.45Å; T239-E241 WeakPolarHBondContact OG1-CB 3.47Å; T239-E241 WeakPolarHBondContact OG1-CG 3.38Å; T239-E241 PolarHBondContact OG1-N 3Å
240	G	98.3	Very high	98.5	Very high	50 Å²	50	43.8 Å²	43.8	52%	0.515	24%	0.242	S	C	.	.			trans	70.1	5.6	-171	0	0	0	0	0	113.9	N236	N236-G240 WeakPolarHBondContact O-CA 3.29Å; N236-G240 PolarHBondContact O-N 2.9Å
241	E	98.4	Very high	98.5	Very high	105 Å²	105	43.1 Å²	43.1	49%	0.491	24%	0.238	S	C	.	.			trans	-69.7	149.6	176.5	-66.2	176.9	154.8	0	0	110.9	R200 T235 N236 T239	R200-E241 IonicContact NH1-OE2 3.52Å; T235-E241 WeakPolarHBondContact CA-O 3.42Å; N236-E241 PolarHBondContact N-O 2.86Å; T239-E241 PolarHBondContact O-N 3.45Å; T239-E241 WeakPolarHBondContact OG1-CB 3.47Å; T239-E241 WeakPolarHBondContact OG1-CG 3.38Å; T239-E241 PolarHBondContact OG1-N 3Å
242	T	98.1	Very high	98.5	Very high	111 Å²	111	43 Å²	43	68%	0.681	24%	0.237	S	C	*	.	B	Isolated β-bridge	trans	-81.1	130.6	173.8	-56.7	0	0	0	0	110.7	N233 G234	N233-T242 HydrophobicContact CB-CG2 4.45Å; G234-T242 CarbonylContact O-C 3.53Å; G234-T242 VanDerWaalsContact O-CA 3.3Å; G234-T242 WeakPolarHBondContact O-CA 3.5Å
243	G	97.6	Very high	98.5	Very high	18 Å²	18	39.2 Å²	39.2	19%	0.186	22%	0.222	C	C	.	.	S	Bend	trans	80.2	153.6	-173.5	0	0	0	0	0	112.1	C231 G234	C231-G243 VanDerWaalsContact O-CA 3.28Å; C231-G243 WeakPolarHBondContact O-CA 3.5Å; G234-G243 PolarHBondContact O-N 3.46Å
244	V	98.5	Very high	98.5	Very high	11 Å²	11	36.8 Å²	36.8	7%	0.067	21%	0.208	C	C	.	.			trans	-132.2	142	178.6	-172.3	0	0	0	0	108.2	Y192 D193 C231 N236 I246	Y192-V244 HydrophobicContact CD1-CG1 4.04Å; Y192-V244 HydrophobicContact CE1-CB 4.43Å; Y192-V244 HydrophobicContact CE1-CG1 3.82Å; D193-V244 WeakPolarHBondContact OD1-CG2 3.46Å; C231-V244 WeakPolarHBondContact CB-O 3.31Å; C231-V244 PolarHBondContact O-N 3.41Å; N236-V244 HydrophobicContact CB-CG2 3.96Å; V244-I246 PolarHBondContact O-N 3Å
245	R	97.9	Very high	98.5	Very high	58 Å²	58	36.3 Å²	36.3	22%	0.219	20%	0.203	C	C	.	.			trans	-51.3	132.2	175.8	174	-148.6	-122.8	-156.5	-3.9	110.8	Y192 P204 L206 D247	Y192-R245 WeakPolarHBondContact CE1-O 3.4Å; Y192-R245 PolarHBondContact OH-O 2.97Å; P204-R245 PolarHBondContact O-NH2 2.78Å; L206-R245 PolarHBondContact O-NH1 2.82Å; L206-R245 PolarHBondContact O-NH2 3.12Å; R245-D247 WeakPolarHBondContact CD-OD2 3.4Å; R245-D247 WeakPolarHBondContact CG-OD1 3.48Å; R245-D247 IonicContact CZ-OD1 3.38Å; R245-D247 IonicContact CZ-OD2 2.71Å; R245-D247 IonicContact NE-OD1 2.94Å; R245-D247 PolarHBondContact NE-OD1 3.22Å; R245-D247 IonicContact NE-OD2 3.26Å; R245-D247 PolarHBondContact NE-OD2 2.96Å; R245-D247 IonicContact NH1-OD2 3.12Å; R245-D247 PolarHBondContact NH1-OD2 3.13Å; R245-D247 VanDerWaalsContact NH1-OD2 3.12Å; R245-D247 IonicContact NH2-OD2 3.39Å
246	I	98.6	Very high	98.4	Very high	16 Å²	16	34.7 Å²	34.7	8%	0.082	20%	0.203	C	C	.	.			trans	-137.8	109.9	163.6	-175.8	163.5	0	0	0	108.4	Y192 L228 C231 V244 Y248 I249 F280	Y192-I246 WeakPolarHBondContact OH-CA 3.44Å; Y192-I246 WeakPolarHBondContact OH-CB 3.5Å; L228-I246 HydrophobicContact CD2-CD1 3.99Å; C231-I246 HydrophobicContact CB-CB 4.19Å; C231-I246 HydrophobicContact CB-CG2 3.94Å; V244-I246 PolarHBondContact O-N 3Å; I246-Y248 VanDerWaalsContact CG1-O 3.22Å; I246-Y248 WeakPolarHBondContact CG1-O 3.47Å; I246-I249 HydrophobicContact CD1-CG1 3.69Å; I246-I249 HydrophobicContact CG1-CG1 4.27Å; I246-F280 HydrophobicContact CG2-CD1 4.34Å; I246-F280 HydrophobicContact CG2-CE1 3.7Å; I246-F280 HydrophobicContact CG2-CZ 3.89Å
247	D	98.8	Very high	98.3	Very high	52 Å²	52	34.5 Å²	34.5	28%	0.278	20%	0.203	S	C	.	.	S	Bend	trans	-86.2	-19.7	-173.3	-58.3	-46	0	0	0	112.4	R207 F208 R245 P284	R207-D247 WeakPolarHBondContact CA-OD2 3.33Å; R207-D247 HydrophobicContact CB-CB 4.39Å; F208-D247 PolarHBondContact N-OD2 2.87Å; F208-D247 WeakPolarHBondContact O-CB 3.44Å; F208-D247 PolarHBondContact O-N 2.91Å; R245-D247 WeakPolarHBondContact CD-OD2 3.4Å; R245-D247 WeakPolarHBondContact CG-OD1 3.48Å; R245-D247 IonicContact CZ-OD1 3.38Å; R245-D247 IonicContact CZ-OD2 2.71Å; R245-D247 IonicContact NE-OD1 2.94Å; R245-D247 PolarHBondContact NE-OD1 3.22Å; R245-D247 IonicContact NE-OD2 3.26Å; R245-D247 PolarHBondContact NE-OD2 2.96Å; R245-D247 IonicContact NH1-OD2 3.12Å; R245-D247 PolarHBondContact NH1-OD2 3.13Å; R245-D247 VanDerWaalsContact NH1-OD2 3.12Å; R245-D247 IonicContact NH2-OD2 3.39Å; D247-P284 VanDerWaalsContact O-CD 3.3Å; D247-P284 WeakPolarHBondContact O-CD 3.33Å
248	Y	98.9	Very high	98.3	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	157.6	169.9	65.4	-90.6	0	0	0	110.7	N166 F167 E168 G209 G210 I246 A250 P284 Y286	N166-Y248 HydrophobicContact CB-CE1 4.27Å; F167-Y248 PolarHBondContact O-OH 3.37Å; E168-Y248 VanDerWaalsContact CB-OH 3.32Å; E168-Y248 WeakPolarHBondContact CB-OH 3.38Å; G209-Y248 WeakPolarHBondContact CA-O 3.47Å; G209-Y248 VanDerWaalsContact N-CE1 3.29Å; G210-Y248 PolarHBondContact N-O 2.91Å; I246-Y248 VanDerWaalsContact CG1-O 3.22Å; I246-Y248 WeakPolarHBondContact CG1-O 3.47Å; Y248-A250 HydrophobicContact CD2-CB 4.21Å; Y248-A250 HydrophobicContact CE2-CB 3.96Å; Y248-P284 CarbonylContact C-O 3.22Å; Y248-P284 WeakPolarHBondContact CA-O 3.42Å; Y248-Y286 HydrophobicContact CD1-CE2 4Å; Y248-Y286 HydrophobicContact CD2-CD1 4.47Å; Y248-Y286 AromaticContact CD2-CD2 3.38Å; Y248-Y286 HydrophobicContact CD2-CD2 3.38Å; Y248-Y286 AromaticContact CD2-CE2 3.56Å; Y248-Y286 HydrophobicContact CD2-CE2 3.56Å; Y248-Y286 AromaticContact CD2-CG 3.89Å; Y248-Y286 HydrophobicContact CD2-CG 3.89Å; Y248-Y286 HydrophobicContact CE1-CE2 4.18Å; Y248-Y286 AromaticContact CE2-CD2 3.55Å; Y248-Y286 HydrophobicContact CE2-CD2 3.55Å; Y248-Y286 AromaticContact CE2-CE2 3.77Å; Y248-Y286 HydrophobicContact CE2-CE2 3.77Å; Y248-Y286 HydrophobicContact CE2-CG 4.41Å; Y248-Y286 AromaticContact CG-CD2 3.97Å; Y248-Y286 HydrophobicContact CG-CD2 3.97Å; Y248-Y286 HydrophobicContact CG-CE1 4.36Å; Y248-Y286 AromaticContact CG-CE2 3.68Å; Y248-Y286 HydrophobicContact CG-CE2 3.68Å; Y248-Y286 HydrophobicContact CG-CG 4.46Å; Y248-Y286 AromaticContact CG-CZ 3.9Å
249	I	98.9	Very high	98.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121.2	173.8	-62.2	164.3	0	0	0	108.7	G210 L228 I246 L251 I273 F280 V283 P284 I285 Y286	G210-I249 WeakPolarHBondContact O-CA 3.5Å; L228-I249 HydrophobicContact CD2-CD1 3.91Å; L228-I249 HydrophobicContact CD2-CG1 3.96Å; L228-I249 HydrophobicContact CD2-CG2 4.27Å; I246-I249 HydrophobicContact CD1-CG1 3.69Å; I246-I249 HydrophobicContact CG1-CG1 4.27Å; I249-L251 HydrophobicContact CG2-CD2 4.09Å; I249-L251 HydrophobicContact CG2-CG 4.44Å; I249-I273 HydrophobicContact CD1-CG2 4.03Å; I249-I273 HydrophobicContact CG2-CD1 4.23Å; I249-F280 HydrophobicContact CD1-CB 4.11Å; I249-F280 HydrophobicContact CD1-CD2 4.03Å; I249-F280 HydrophobicContact CD1-CG 4.24Å; I249-V283 HydrophobicContact CD1-CB 4.4Å; I249-V283 HydrophobicContact CD1-CG1 4.09Å; I249-V283 HydrophobicContact CG1-CG1 3.88Å; I249-P284 PolarHBondContact N-O 3.23Å; I249-I285 HydrophobicContact CB-CD1 3.82Å; I249-I285 HydrophobicContact CD1-CD1 4.17Å; I249-I285 HydrophobicContact CG2-CD1 4.35Å; I249-I285 WeakPolarHBondContact O-CA 3.39Å; I249-Y286 PolarHBondContact O-N 2.93Å
250	A	98.8	Very high	98.2	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	132.4	179.7	0	0	0	0	0	111.8	E168 G210 P211 G212 Y248 D288	E168-A250 WeakPolarHBondContact OE1-CB 3.35Å; G210-A250 PolarHBondContact O-N 3.11Å; P211-A250 WeakPolarHBondContact CD-O 3.42Å; G212-A250 PolarHBondContact N-O 3.07Å; G212-A250 VanDerWaalsContact N-O 3.1Å; Y248-A250 HydrophobicContact CD2-CB 4.21Å; Y248-A250 HydrophobicContact CE2-CB 3.96Å; A250-D288 WeakPolarHBondContact CB-OD2 3.38Å
251	L	98.5	Very high	98.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148	-177.1	-54.4	176	0	0	0	110	D213 C215 I249 T269 V270 I273 I285 Y286 N287	D213-L251 CarbonylContact O-C 3.5Å; D213-L251 VanDerWaalsContact O-CA 3.31Å; D213-L251 WeakPolarHBondContact O-CA 3.39Å; C215-L251 HydrophobicContact CB-CD2 3.78Å; C215-L251 WeakPolarHBondContact SG-CD2 3.13Å; I249-L251 HydrophobicContact CG2-CD2 4.09Å; I249-L251 HydrophobicContact CG2-CG 4.44Å; L251-T269 HydrophobicContact CD1-CG2 4.15Å; L251-T269 HydrophobicContact CD2-CG2 4.24Å; L251-V270 HydrophobicContact CD1-CG2 3.75Å; L251-I273 HydrophobicContact CD2-CD1 4.21Å; L251-I285 HydrophobicContact CD1-CG2 4.11Å; L251-Y286 PolarHBondContact N-O 2.89Å; L251-N287 WeakPolarHBondContact O-CA 3.37Å; L251-N287 PolarHBondContact O-OD1 3.47Å
252	H	98.7	Very high	98.2	Very high	3 Å²	3	25.3 Å²	25.3	1%	0.014	15%	0.148	C	C	.	.			trans	-111.8	99.9	171.1	-61.8	174.5	0	0	0	110.5	N171 E172 G212 D213 D288 E289	N171-H252 PolarHBondContact OD1-CE1 3.16Å; N171-H252 VanDerWaalsContact OD1-CE1 3.27Å; E172-H252 WeakPolarHBondContact CG-ND1 3.44Å; E172-H252 IonicContact OE1-CE1 2.82Å; E172-H252 IonicContact OE1-CG 3.05Å; E172-H252 IonicContact OE1-ND1 3.8Å; E172-H252 PolarHBondContact OE1-ND1 3.26Å; G212-H252 VanDerWaalsContact C-CE1 3.46Å; G212-H252 PolarHBondContact O-CE1 2.63Å; G212-H252 PolarHBondContact O-ND1 2.91Å; G212-H252 PolarHBondContact O-NE2 3.08Å; D213-H252 PolarHBondContact O-N 3.04Å; H252-D288 IonicContact CD2-OD1 3.01Å; H252-D288 PolarHBondContact CD2-OD1 2.83Å; H252-D288 IonicContact NE2-OD1 3.7Å; H252-D288 PolarHBondContact NE2-OD1 3.07Å; H252-E289 HydrophobicContact CB-CB 4.36Å; H252-E289 IonicContact CE1-OE1 3.09Å; H252-E289 PolarHBondContact CE1-OE1 3.45Å; H252-E289 IonicContact ND1-OE1 3.43Å; H252-E289 PolarHBondContact ND1-OE1 3.36Å; H252-E289 IonicContact ND1-OE2 3.85Å; H252-E289 IonicContact NE2-OE1 3.7Å
253	K	98.6	Very high	98.3	Very high	6 Å²	6	20.2 Å²	20.2	3%	0.026	12%	0.117	C	C	.	.			trans	-115	117.1	175.6	-57.7	-56.3	-167.4	168.4	0	110.3	S214 Q265 E266 T269 N287	S214-K253 VanDerWaalsContact O-CE 3.27Å; S214-K253 WeakPolarHBondContact O-CE 3.25Å; S214-K253 PolarHBondContact O-NZ 3.45Å; K253-Q265 HydrophobicContact CB-CB 4.16Å; K253-Q265 HydrophobicContact CD-CB 3.9Å; K253-Q265 HydrophobicContact CG-CB 4.07Å; K253-E266 HydrophobicContact CB-CG 3.92Å; K253-E266 HydrophobicContact CG-CG 3.84Å; K253-T269 WeakPolarHBondContact CE-OG1 3.29Å; K253-T269 PolarHBondContact NZ-OG1 3.35Å; K253-N287 PolarHBondContact N-OD1 2.58Å; K253-N287 PolarHBondContact O-ND2 2.78Å
254	K	98.5	Very high	98.3	Very high	33 Å²	33	24.3 Å²	24.3	14%	0.143	13%	0.131	C	C	.	.			trans	-111	154.5	-178.1	-56.9	-177.9	-163	-61.1	0	111.2	G256 Q265 E289 D291 V294	K254-G256 PolarHBondContact O-N 3.46Å; K254-Q265 PolarHBondContact O-NE2 3.36Å; K254-E289 WeakPolarHBondContact CG-O 3.36Å; K254-E289 PolarHBondContact NZ-O 2.78Å; K254-E289 IonicContact NZ-OE2 2.79Å; K254-E289 PolarHBondContact NZ-OE2 2.8Å; K254-D291 CarbonylContact C-O 3.53Å; K254-D291 WeakPolarHBondContact CA-O 3.24Å; K254-D291 WeakPolarHBondContact CB-O 3.34Å; K254-D291 HydrophobicContact CD-CB 4.38Å; K254-D291 HydrophobicContact CG-CB 4.3Å; K254-D291 IonicContact NZ-OD2 2.76Å; K254-D291 PolarHBondContact NZ-OD2 2.98Å; K254-V294 HydrophobicContact CD-CB 3.78Å; K254-V294 HydrophobicContact CD-CG2 4.03Å
255	G	98	Very high	98.3	Very high	3 Å²	3	26.5 Å²	26.5	3%	0.031	14%	0.14	C	C	.	.			trans	-85.6	-6.8	-164.7	0	0	0	0	0	117.4	G257 F258 I262 D291 P292	G255-G257 PolarHBondContact O-N 2.85Å; G255-F258 CarbonylContact C-O 3.52Å; G255-F258 WeakPolarHBondContact CA-O 3.13Å; G255-F258 PolarHBondContact O-N 2.71Å; G255-I262 VanDerWaalsContact CA-CG1 3.41Å; G255-D291 PolarHBondContact N-O 3.26Å; G255-P292 CarbonylContact C-O 3.59Å; G255-P292 VanDerWaalsContact C-O 3.22Å; G255-P292 VanDerWaalsContact CA-O 3.25Å; G255-P292 WeakPolarHBondContact CA-O 3.49Å; G255-P292 PolarHBondContact N-O 3.15Å
256	G	97.4	Very high	98.3	Very high	54 Å²	54	23.9 Å²	23.9	56%	0.557	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	21.8	-175.2	0	0	0	0	0	114.3	K254 P292	K254-G256 PolarHBondContact O-N 3.46Å; G256-P292 PolarHBondContact N-O 3.3Å
257	G	96.6	Very high	98.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.01	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.3	-4.4	-173.7	0	0	0	0	0	114.2	G255 P292 N436	G255-G257 PolarHBondContact O-N 2.85Å; G257-P292 WeakPolarHBondContact CA-O 3.17Å; G257-P292 PolarHBondContact N-O 3Å; G257-N436 WeakPolarHBondContact O-CB 3.48Å; G257-N436 VanDerWaalsContact O-CG 3.24Å; G257-N436 PolarHBondContact O-ND2 3.33Å; G257-N436 VanDerWaalsContact O-ND2 3.14Å
258	F	97.9	Very high	98.3	Very high	110 Å²	110	30.2 Å²	30.2	48%	0.482	16%	0.16	S	C	.	.			trans	-126.1	157.9	-174.1	-58.4	-82.1	0	0	0	111.6	G255 P261 D435	G255-F258 CarbonylContact C-O 3.52Å; G255-F258 WeakPolarHBondContact CA-O 3.13Å; G255-F258 PolarHBondContact O-N 2.71Å; F258-P261 HydrophobicContact CB-CG 3.89Å; F258-D435 WeakPolarHBondContact CA-OD2 3.31Å; F258-D435 WeakPolarHBondContact CB-OD2 3.47Å; F258-D435 HydrophobicContact CD1-CB 4.24Å; F258-D435 WeakPolarHBondContact CD1-OD2 3.34Å
259	S	98.1	Very high	98.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-81	-56	-173.6	53.9	0	0	0	0	112.3	P261 I262 M311 K314 Q318 D435	S259-P261 VanDerWaalsContact C-CD 3.48Å; S259-I262 WeakPolarHBondContact O-CB 3.3Å; S259-I262 PolarHBondContact O-N 3.13Å; S259-M311 VanDerWaalsContact N-CE 3.32Å; S259-K314 VanDerWaalsContact OG-CE 3.25Å; S259-K314 WeakPolarHBondContact OG-CE 3.4Å; S259-Q318 VanDerWaalsContact C-OE1 3.31Å; S259-Q318 VanDerWaalsContact CB-OE1 3.29Å; S259-Q318 PolarHBondContact OG-NE2 3.35Å; S259-Q318 PolarHBondContact OG-OE1 2.78Å; S259-D435 VanDerWaalsContact CB-OD1 3.29Å; S259-D435 WeakPolarHBondContact CB-OD1 3.39Å; S259-D435 PolarHBondContact N-OD2 2.99Å; S259-D435 VanDerWaalsContact OG-CG 3.31Å; S259-D435 PolarHBondContact OG-OD1 2.79Å; S259-D435 PolarHBondContact OG-OD2 3.42Å
260	L	97.4	Very high	98.3	Very high	18 Å²	18	30.5 Å²	30.5	9%	0.094	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-35.6	-172.8	-173.2	61.8	0	0	0	115.1	I262 L263 Q264 L322 N403	L260-I262 PolarHBondContact O-N 2.87Å; L260-I262 VanDerWaalsContact O-N 3.09Å; L260-L263 PolarHBondContact O-N 3.45Å; L260-Q264 HydrophobicContact CG-CG 4.14Å; L260-Q264 PolarHBondContact O-N 3.21Å; L260-Q264 VanDerWaalsContact O-N 3.15Å; L260-L322 HydrophobicContact CD1-CD1 3.96Å; L260-N403 HydrophobicContact CD2-CB 4.13Å
261	P	98.3	Very high	98.2	Very high	37 Å²	37	31.6 Å²	31.6	24%	0.24	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-21.8	178.5	-29.3	39	0	0	0	114.5	F258 S259 Q265	F258-P261 HydrophobicContact CB-CG 3.89Å; S259-P261 VanDerWaalsContact C-CD 3.48Å; P261-Q265 WeakPolarHBondContact O-CB 3.39Å; P261-Q265 WeakPolarHBondContact O-CG 3.19Å; P261-Q265 PolarHBondContact O-N 2.81Å; P261-Q265 VanDerWaalsContact O-N 3.17Å; P261-Q265 PolarHBondContact O-NE2 2.71Å
262	I	98.7	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59	-59.8	173.4	-63.5	172.4	0	0	0	109.1	G255 S259 L260 Q264 Q265 E266 A290 I315	G255-I262 VanDerWaalsContact CA-CG1 3.41Å; S259-I262 WeakPolarHBondContact O-CB 3.3Å; S259-I262 PolarHBondContact O-N 3.13Å; L260-I262 PolarHBondContact O-N 2.87Å; L260-I262 VanDerWaalsContact O-N 3.09Å; I262-Q264 PolarHBondContact O-N 3.16Å; I262-Q265 PolarHBondContact O-N 2.82Å; I262-E266 WeakPolarHBondContact O-CG 3.38Å; I262-E266 PolarHBondContact O-N 2.74Å; I262-E266 VanDerWaalsContact O-N 3.1Å; I262-A290 HydrophobicContact CG2-CB 4.36Å; I262-I315 HydrophobicContact CD1-CD1 3.63Å; I262-I315 HydrophobicContact CD1-CG1 4.06Å; I262-I315 HydrophobicContact CD1-CG2 4.21Å
263	L	98.6	Very high	98.2	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-62.2	-41.8	-177.8	176.6	61.7	0	0	0	112.1	L260 Q265 E266 L267 L322 L323	L260-L263 PolarHBondContact O-N 3.45Å; L263-Q265 VanDerWaalsContact C-N 3.3Å; L263-Q265 PolarHBondContact O-N 3.45Å; L263-E266 WeakPolarHBondContact O-CB 3.48Å; L263-E266 PolarHBondContact O-N 2.99Å; L263-L267 HydrophobicContact CD1-CD1 4.28Å; L263-L267 HydrophobicContact CD1-CD2 4.27Å; L263-L267 HydrophobicContact CD1-CG 3.96Å; L263-L267 HydrophobicContact CG-CD1 4.1Å; L263-L267 HydrophobicContact CG-CG 4.23Å; L263-L267 VanDerWaalsContact O-CG 3.32Å; L263-L267 WeakPolarHBondContact O-CG 3.21Å; L263-L267 PolarHBondContact O-N 3.27Å; L263-L322 HydrophobicContact CD2-CB 3.65Å; L263-L322 HydrophobicContact CD2-CD1 4.07Å; L263-L322 HydrophobicContact CD2-CG 4.44Å; L263-L323 HydrophobicContact CD1-CB 3.88Å; L263-L323 HydrophobicContact CD1-CD2 3.82Å; L263-L323 HydrophobicContact CD1-CG 4.46Å
264	Q	98.2	Very high	98.2	Very high	104 Å²	104	33.2 Å²	33.2	49%	0.486	18%	0.181	S	C	.	.	H	α-helix	trans	-59.6	-41.6	179.4	-70.4	175.1	-24.8	0	0	112.1	L260 I262 Q268	L260-Q264 HydrophobicContact CG-CG 4.14Å; L260-Q264 PolarHBondContact O-N 3.21Å; L260-Q264 VanDerWaalsContact O-N 3.15Å; I262-Q264 PolarHBondContact O-N 3.16Å; Q264-Q268 WeakPolarHBondContact O-CB 3.23Å; Q264-Q268 PolarHBondContact O-N 2.85Å; Q264-Q268 VanDerWaalsContact O-N 3.11Å
265	Q	98.6	Very high	98.2	Very high	57 Å²	57	39 Å²	39	27%	0.266	21%	0.209	S	C	.	.	H	α-helix	trans	-69.6	-36.9	177.4	-71.9	173.2	87.6	0	0	112.4	K253 K254 P261 I262 L263 T269	K253-Q265 HydrophobicContact CB-CB 4.16Å; K253-Q265 HydrophobicContact CD-CB 3.9Å; K253-Q265 HydrophobicContact CG-CB 4.07Å; K254-Q265 PolarHBondContact O-NE2 3.36Å; P261-Q265 WeakPolarHBondContact O-CB 3.39Å; P261-Q265 WeakPolarHBondContact O-CG 3.19Å; P261-Q265 PolarHBondContact O-N 2.81Å; P261-Q265 VanDerWaalsContact O-N 3.17Å; P261-Q265 PolarHBondContact O-NE2 2.71Å; I262-Q265 PolarHBondContact O-N 2.82Å; L263-Q265 VanDerWaalsContact C-N 3.3Å; L263-Q265 PolarHBondContact O-N 3.45Å; Q265-T269 WeakPolarHBondContact O-CB 3.48Å; Q265-T269 PolarHBondContact O-N 2.86Å; Q265-T269 PolarHBondContact O-OG1 2.89Å
266	E	98.8	Very high	98.1	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.014	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-52.7	174.4	-68.2	171.2	155.7	0	0	110.9	K253 I262 L263 Q268 T269 V270 N287 H319 Y333	K253-E266 HydrophobicContact CB-CG 3.92Å; K253-E266 HydrophobicContact CG-CG 3.84Å; I262-E266 WeakPolarHBondContact O-CG 3.38Å; I262-E266 PolarHBondContact O-N 2.74Å; I262-E266 VanDerWaalsContact O-N 3.1Å; L263-E266 WeakPolarHBondContact O-CB 3.48Å; L263-E266 PolarHBondContact O-N 2.99Å; E266-Q268 VanDerWaalsContact C-N 3.3Å; E266-Q268 PolarHBondContact O-N 3.05Å; E266-T269 PolarHBondContact O-N 2.69Å; E266-T269 VanDerWaalsContact O-N 3.14Å; E266-V270 WeakPolarHBondContact O-CG2 3.37Å; E266-V270 PolarHBondContact O-N 3.4Å; E266-N287 WeakPolarHBondContact OE1-CB 3.4Å; E266-N287 PolarHBondContact OE1-ND2 3.5Å; E266-H319 IonicContact OE1-NE2 3.43Å; E266-H319 PolarHBondContact OE1-NE2 3.07Å; E266-H319 IonicContact OE2-CD2 3.86Å; E266-H319 PolarHBondContact OE2-CD2 2.84Å; E266-H319 VanDerWaalsContact OE2-CD2 3.31Å; E266-H319 IonicContact OE2-NE2 2.76Å; E266-H319 PolarHBondContact OE2-NE2 2.85Å; E266-Y333 WeakPolarHBondContact OE1-CE2 3.34Å; E266-Y333 PolarHBondContact OE1-OH 2.96Å
267	L	98.4	Very high	98.2	Very high	69 Å²	69	42.3 Å²	42.3	36%	0.361	20%	0.204	S	C	.	.	H	α-helix	trans	-55.5	-45.7	179	-68.7	177.9	0	0	0	111.5	L263 G271 L323 I331	L263-L267 HydrophobicContact CD1-CD1 4.28Å; L263-L267 HydrophobicContact CD1-CD2 4.27Å; L263-L267 HydrophobicContact CD1-CG 3.96Å; L263-L267 HydrophobicContact CG-CD1 4.1Å; L263-L267 HydrophobicContact CG-CG 4.23Å; L263-L267 VanDerWaalsContact O-CG 3.32Å; L263-L267 WeakPolarHBondContact O-CG 3.21Å; L263-L267 PolarHBondContact O-N 3.27Å; L267-G271 PolarHBondContact O-N 2.77Å; L267-L323 HydrophobicContact CD2-CD1 3.86Å; L267-I331 HydrophobicContact CD2-CD1 3.64Å
268	Q	98.2	Very high	98.2	Very high	132 Å²	132	45.3 Å²	45.3	62%	0.617	22%	0.223	S	C	*	.	H	α-helix	trans	-61.2	-47.9	177.6	-177.4	-178.5	11	0	0	111.8	Q264 E266 G271 E272	Q264-Q268 WeakPolarHBondContact O-CB 3.23Å; Q264-Q268 PolarHBondContact O-N 2.85Å; Q264-Q268 VanDerWaalsContact O-N 3.11Å; E266-Q268 VanDerWaalsContact C-N 3.3Å; E266-Q268 PolarHBondContact O-N 3.05Å; Q268-G271 PolarHBondContact O-N 3.46Å; Q268-E272 PolarHBondContact O-N 2.79Å; Q268-E272 VanDerWaalsContact O-N 3.14Å
269	T	98.6	Very high	98.1	Very high	6 Å²	6	43.3 Å²	43.3	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-70.6	-44.1	-174	-56	0	0	0	0	111.1	C215 L251 K253 Q265 E266 G271 E272 I273	C215-T269 HydrophobicContact CB-CG2 3.86Å; C215-T269 WeakPolarHBondContact O-CG2 3.44Å; L251-T269 HydrophobicContact CD1-CG2 4.15Å; L251-T269 HydrophobicContact CD2-CG2 4.24Å; K253-T269 WeakPolarHBondContact CE-OG1 3.29Å; K253-T269 PolarHBondContact NZ-OG1 3.35Å; Q265-T269 WeakPolarHBondContact O-CB 3.48Å; Q265-T269 PolarHBondContact O-N 2.86Å; Q265-T269 PolarHBondContact O-OG1 2.89Å; E266-T269 PolarHBondContact O-N 2.69Å; E266-T269 VanDerWaalsContact O-N 3.14Å; T269-G271 VanDerWaalsContact C-N 3.33Å; T269-E272 PolarHBondContact O-N 2.94Å; T269-I273 HydrophobicContact CG2-CD1 4.32Å; T269-I273 WeakPolarHBondContact O-CG1 3.47Å; T269-I273 PolarHBondContact O-N 2.64Å
270	V	98.5	Very high	98.1	Very high	1 Å²	1	44 Å²	44	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-68.5	-35.4	177.4	-177.6	0	0	0	0	111.1	L251 E266 E272 I273 Q274 I285 I331	L251-V270 HydrophobicContact CD1-CG2 3.75Å; E266-V270 WeakPolarHBondContact O-CG2 3.37Å; E266-V270 PolarHBondContact O-N 3.4Å; V270-E272 VanDerWaalsContact C-N 3.32Å; V270-E272 PolarHBondContact O-N 3.48Å; V270-I273 WeakPolarHBondContact O-CB 3.46Å; V270-I273 PolarHBondContact O-N 3.4Å; V270-Q274 HydrophobicContact CG1-CG 4.06Å; V270-Q274 WeakPolarHBondContact O-CG 3.35Å; V270-Q274 PolarHBondContact O-N 3.04Å; V270-I285 HydrophobicContact CG1-CD1 4.19Å; V270-I285 HydrophobicContact CG1-CG1 4.01Å; V270-I285 HydrophobicContact CG2-CD1 4.3Å; V270-I285 HydrophobicContact CG2-CG1 4.06Å; V270-I285 HydrophobicContact CG2-CG2 3.79Å; V270-I331 HydrophobicContact CB-CD1 3.98Å; V270-I331 HydrophobicContact CB-CG1 4.33Å; V270-I331 HydrophobicContact CG1-CB 4.47Å; V270-I331 HydrophobicContact CG1-CD1 3.98Å; V270-I331 HydrophobicContact CG1-CG1 3.76Å; V270-I331 HydrophobicContact CG1-CG2 4.12Å
271	G	98.2	Very high	98	Very high	23 Å²	23	49.6 Å²	49.6	24%	0.237	25%	0.245	C	C	.	.	H	α-helix	trans	-54.1	-49.8	171.2	0	0	0	0	0	111.6	L267 Q268 T269 I273 Q274 E275	L267-G271 PolarHBondContact O-N 2.77Å; Q268-G271 PolarHBondContact O-N 3.46Å; T269-G271 VanDerWaalsContact C-N 3.33Å; G271-I273 VanDerWaalsContact C-N 3.34Å; G271-I273 PolarHBondContact O-N 2.85Å; G271-Q274 PolarHBondContact O-N 2.9Å; G271-E275 WeakPolarHBondContact O-CG 3.41Å; G271-E275 PolarHBondContact O-N 3.16Å
272	E	98.4	Very high	97.9	Very high	30 Å²	30	52 Å²	52	14%	0.14	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-40	176.3	-174.5	174.6	-173.7	0	0	112.4	S217 W225 Q268 T269 V270 E275 R276	S217-E272 WeakPolarHBondContact CB-OE2 3.27Å; S217-E272 PolarHBondContact OG-OE2 3.05Å; W225-E272 HydrophobicContact CH2-CB 4.04Å; W225-E272 HydrophobicContact CH2-CG 3.59Å; W225-E272 HydrophobicContact CZ2-CG 4.16Å; W225-E272 HydrophobicContact CZ3-CG 4.28Å; Q268-E272 PolarHBondContact O-N 2.79Å; Q268-E272 VanDerWaalsContact O-N 3.14Å; T269-E272 PolarHBondContact O-N 2.94Å; V270-E272 VanDerWaalsContact C-N 3.32Å; V270-E272 PolarHBondContact O-N 3.48Å; E272-E275 PolarHBondContact O-N 3.34Å; E272-R276 WeakPolarHBondContact O-CB 3.43Å; E272-R276 WeakPolarHBondContact O-CG 3.37Å; E272-R276 PolarHBondContact O-N 3.13Å; E272-R276 IonicContact OE1-CZ 3.22Å; E272-R276 IonicContact OE1-NE 3.89Å; E272-R276 PolarHBondContact OE1-NE 3.44Å; E272-R276 VanDerWaalsContact OE1-NE 3.12Å; E272-R276 IonicContact OE1-NH2 2.66Å; E272-R276 PolarHBondContact OE1-NH2 2.89Å
273	I	98.6	Very high	97.9	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-60.8	-48.4	174.6	-67.8	170.1	0	0	0	110.7	W225 L228 I249 L251 T269 V270 G271 E275 R276 F277 F280	W225-I273 HydrophobicContact CH2-CG1 3.87Å; W225-I273 HydrophobicContact CZ3-CG1 3.78Å; L228-I273 HydrophobicContact CD1-CD1 3.89Å; L228-I273 HydrophobicContact CD1-CG1 3.77Å; L228-I273 HydrophobicContact CD1-CG2 4.3Å; I249-I273 HydrophobicContact CD1-CG2 4.03Å; I249-I273 HydrophobicContact CG2-CD1 4.23Å; L251-I273 HydrophobicContact CD2-CD1 4.21Å; T269-I273 HydrophobicContact CG2-CD1 4.32Å; T269-I273 WeakPolarHBondContact O-CG1 3.47Å; T269-I273 PolarHBondContact O-N 2.64Å; V270-I273 WeakPolarHBondContact O-CB 3.46Å; V270-I273 PolarHBondContact O-N 3.4Å; G271-I273 VanDerWaalsContact C-N 3.34Å; G271-I273 PolarHBondContact O-N 2.85Å; I273-E275 VanDerWaalsContact C-N 3.31Å; I273-E275 PolarHBondContact O-N 2.98Å; I273-R276 PolarHBondContact O-N 2.87Å; I273-F277 HydrophobicContact CG2-CD2 4.23Å; I273-F277 WeakPolarHBondContact O-CA 3.13Å; I273-F277 WeakPolarHBondContact O-CB 3.4Å; I273-F277 WeakPolarHBondContact O-CD2 3.36Å; I273-F277 PolarHBondContact O-N 3.06Å; I273-F280 HydrophobicContact CG2-CB 4.44Å; I273-F280 HydrophobicContact CG2-CD2 4.38Å
274	Q	98.1	Very high	97.9	Very high	12 Å²	12	54.2 Å²	54.2	6%	0.056	28%	0.277	C	S	.	.	H	α-helix	trans	-70	-26.7	-177.3	-69.7	-172.7	-7.3	0	0	113.3	V270 G271 P278 R281 T330	V270-Q274 HydrophobicContact CG1-CG 4.06Å; V270-Q274 WeakPolarHBondContact O-CG 3.35Å; V270-Q274 PolarHBondContact O-N 3.04Å; G271-Q274 PolarHBondContact O-N 2.9Å; Q274-P278 WeakPolarHBondContact O-CA 3.34Å; Q274-R281 HydrophobicContact CB-CG 3.96Å; Q274-R281 HydrophobicContact CG-CG 3.77Å; Q274-T330 PolarHBondContact NE2-O 2.91Å; Q274-T330 PolarHBondContact OE1-OG1 3.49Å
275	E	97.8	Very high	98	Very high	156 Å²	156	49.4 Å²	49.4	73%	0.729	26%	0.255	S	S	*	.	H	α-helix	trans	-71.5	-45.8	172.2	-75.5	176.3	-176.2	0	0	111.6	G271 E272 I273	G271-E275 WeakPolarHBondContact O-CG 3.41Å; G271-E275 PolarHBondContact O-N 3.16Å; E272-E275 PolarHBondContact O-N 3.34Å; I273-E275 VanDerWaalsContact C-N 3.31Å; I273-E275 PolarHBondContact O-N 2.98Å
276	R	97.7	Very high	98	Very high	121 Å²	121	47 Å²	47	46%	0.457	24%	0.243	S	C	.	.	H	α-helix	trans	-76.1	-34.9	-179	-67.8	175.7	-177.9	-119.4	5.1	113	E272 I273	E272-R276 WeakPolarHBondContact O-CB 3.43Å; E272-R276 WeakPolarHBondContact O-CG 3.37Å; E272-R276 PolarHBondContact O-N 3.13Å; E272-R276 IonicContact OE1-CZ 3.22Å; E272-R276 IonicContact OE1-NE 3.89Å; E272-R276 PolarHBondContact OE1-NE 3.44Å; E272-R276 VanDerWaalsContact OE1-NE 3.12Å; E272-R276 IonicContact OE1-NH2 2.66Å; E272-R276 PolarHBondContact OE1-NH2 2.89Å; I273-R276 PolarHBondContact O-N 2.87Å
277	F	97.9	Very high	98	Very high	5 Å²	5	46.9 Å²	46.9	2%	0.022	24%	0.243	C	C	.	.			trans	-130	72.7	-172.9	-48.3	-64.6	0	0	0	111.1	W225 L228 Q229 Y232 I273 S279 F280	W225-F277 HydrophobicContact CE3-CE2 4.01Å; W225-F277 HydrophobicContact CZ3-CE2 4.13Å; L228-F277 HydrophobicContact CB-CD2 4Å; L228-F277 HydrophobicContact CB-CE2 3.5Å; L228-F277 HydrophobicContact CB-CZ 3.9Å; L228-F277 HydrophobicContact CD1-CD2 4.4Å; L228-F277 HydrophobicContact CD1-CE2 4.09Å; L228-F277 HydrophobicContact CG-CE2 4.46Å; Q229-F277 HydrophobicContact CB-CE1 4.2Å; Q229-F277 HydrophobicContact CB-CZ 4.23Å; Y232-F277 HydrophobicContact CD1-CD1 4.04Å; Y232-F277 HydrophobicContact CD2-CB 3.64Å; Y232-F277 AromaticContact CD2-CD1 3.88Å; Y232-F277 HydrophobicContact CD2-CD1 3.88Å; Y232-F277 HydrophobicContact CD2-CG 4.2Å; Y232-F277 HydrophobicContact CE2-CB 3.93Å; Y232-F277 HydrophobicContact CE2-CD1 4.49Å; Y232-F277 HydrophobicContact CG-CB 4.29Å; Y232-F277 AromaticContact CG-CD1 3.61Å; Y232-F277 HydrophobicContact CG-CD1 3.61Å; Y232-F277 HydrophobicContact CG-CE1 4.46Å; Y232-F277 HydrophobicContact CG-CG 4.36Å; I273-F277 HydrophobicContact CG2-CD2 4.23Å; I273-F277 WeakPolarHBondContact O-CA 3.13Å; I273-F277 WeakPolarHBondContact O-CB 3.4Å; I273-F277 WeakPolarHBondContact O-CD2 3.36Å; I273-F277 PolarHBondContact O-N 3.06Å; F277-S279 PolarHBondContact O-N 2.97Å; F277-F280 HydrophobicContact CB-CB 4.29Å; F277-F280 HydrophobicContact CB-CD2 3.35Å; F277-F280 HydrophobicContact CB-CE2 3.82Å; F277-F280 HydrophobicContact CB-CG 3.92Å; F277-F280 HydrophobicContact CD2-CD2 4.13Å; F277-F280 HydrophobicContact CD2-CE2 4.29Å; F277-F280 AromaticContact CG-CD2 3.88Å; F277-F280 HydrophobicContact CG-CD2 3.88Å; F277-F280 AromaticContact CG-CE2 3.96Å; F277-F280 HydrophobicContact CG-CE2 3.96Å; F277-F280 WeakPolarHBondContact O-CB 3.09Å; F277-F280 PolarHBondContact O-N 3.12Å
278	P	97.3	Very high	98	Very high	64 Å²	64	43.7 Å²	43.7	42%	0.416	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-57.1	-28.8	-171.5	-29.1	36.3	0	0	0	115.8	Q274 F280 R281	Q274-P278 WeakPolarHBondContact O-CA 3.34Å; P278-F280 PolarHBondContact O-N 3.31Å; P278-R281 VanDerWaalsContact O-CG 3.31Å; P278-R281 WeakPolarHBondContact O-CG 3.41Å; P278-R281 PolarHBondContact O-N 3.29Å
279	S	95.4	Very high	98	Very high	68 Å²	68	37.9 Å²	37.9	48%	0.476	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-67.6	-22	176.6	67.2	0	0	0	0	113.2	Y232 F277 R281 S282	Y232-S279 WeakPolarHBondContact CD2-OG 3.37Å; Y232-S279 WeakPolarHBondContact CE2-OG 3.21Å; F277-S279 PolarHBondContact O-N 2.97Å; S279-R281 PolarHBondContact O-N 2.95Å; S279-S282 PolarHBondContact O-OG 3.17Å
280	F	97.9	Very high	98	Very high	14 Å²	14	37.6 Å²	37.6	6%	0.061	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-78	-1	178.6	-63.8	-16.2	0	0	0	114.2	L228 C231 Y232 I246 I249 I273 F277 P278 S282 V283	L228-F280 HydrophobicContact CB-CE2 4.24Å; L228-F280 HydrophobicContact CD2-CD2 4.43Å; L228-F280 HydrophobicContact CD2-CE2 4.15Å; L228-F280 WeakPolarHBondContact O-CE2 3.17Å; C231-F280 HydrophobicContact CB-CZ 4Å; Y232-F280 HydrophobicContact CD2-CD1 4.47Å; Y232-F280 HydrophobicContact CD2-CE1 4.15Å; Y232-F280 HydrophobicContact CD2-CE2 4.3Å; Y232-F280 HydrophobicContact CD2-CZ 4.06Å; Y232-F280 HydrophobicContact CG-CZ 4.43Å; I246-F280 HydrophobicContact CG2-CD1 4.34Å; I246-F280 HydrophobicContact CG2-CE1 3.7Å; I246-F280 HydrophobicContact CG2-CZ 3.89Å; I249-F280 HydrophobicContact CD1-CB 4.11Å; I249-F280 HydrophobicContact CD1-CD2 4.03Å; I249-F280 HydrophobicContact CD1-CG 4.24Å; I273-F280 HydrophobicContact CG2-CB 4.44Å; I273-F280 HydrophobicContact CG2-CD2 4.38Å; F277-F280 HydrophobicContact CB-CB 4.29Å; F277-F280 HydrophobicContact CB-CD2 3.35Å; F277-F280 HydrophobicContact CB-CE2 3.82Å; F277-F280 HydrophobicContact CB-CG 3.92Å; F277-F280 HydrophobicContact CD2-CD2 4.13Å; F277-F280 HydrophobicContact CD2-CE2 4.29Å; F277-F280 AromaticContact CG-CD2 3.88Å; F277-F280 HydrophobicContact CG-CD2 3.88Å; F277-F280 AromaticContact CG-CE2 3.96Å; F277-F280 HydrophobicContact CG-CE2 3.96Å; F277-F280 WeakPolarHBondContact O-CB 3.09Å; F277-F280 PolarHBondContact O-N 3.12Å; P278-F280 PolarHBondContact O-N 3.31Å; F280-S282 PolarHBondContact O-N 3.34Å; F280-S282 VanDerWaalsContact O-N 3.15Å; F280-V283 HydrophobicContact CB-CB 4.44Å; F280-V283 HydrophobicContact CB-CG2 4.22Å; F280-V283 HydrophobicContact CD1-CG2 3.94Å; F280-V283 HydrophobicContact CG-CG2 4.38Å; F280-V283 WeakPolarHBondContact O-CB 3.38Å; F280-V283 PolarHBondContact O-N 2.96Å
281	R	96.6	Very high	98	Very high	135 Å²	135	37.5 Å²	37.5	51%	0.509	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-55.4	-31.8	173	-73.3	177.9	178.9	-159.1	-1.4	113.6	Q274 P278 S279	Q274-R281 HydrophobicContact CB-CG 3.96Å; Q274-R281 HydrophobicContact CG-CG 3.77Å; P278-R281 VanDerWaalsContact O-CG 3.31Å; P278-R281 WeakPolarHBondContact O-CG 3.41Å; P278-R281 PolarHBondContact O-N 3.29Å; S279-R281 PolarHBondContact O-N 2.95Å
282	S	96.3	Very high	98.1	Very high	89 Å²	89	36.5 Å²	36.5	62%	0.622	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-85.8	-14.8	178.7	64.2	0	0	0	0	113.9	S279 F280 N332	S279-S282 PolarHBondContact O-OG 3.17Å; F280-S282 PolarHBondContact O-N 3.34Å; F280-S282 VanDerWaalsContact O-N 3.15Å; S282-N332 PolarHBondContact O-ND2 2.73Å
283	V	98.5	Very high	98.1	Very high	17 Å²	17	36.4 Å²	36.4	10%	0.103	19%	0.186	C	C	.	.	S	Bend	trans	-73.4	128.9	-176	177.9	0	0	0	0	109	I249 F280	I249-V283 HydrophobicContact CD1-CB 4.4Å; I249-V283 HydrophobicContact CD1-CG1 4.09Å; I249-V283 HydrophobicContact CG1-CG1 3.88Å; F280-V283 HydrophobicContact CB-CB 4.44Å; F280-V283 HydrophobicContact CB-CG2 4.22Å; F280-V283 HydrophobicContact CD1-CG2 3.94Å; F280-V283 HydrophobicContact CG-CG2 4.38Å; F280-V283 WeakPolarHBondContact O-CB 3.38Å; F280-V283 PolarHBondContact O-N 2.96Å
284	P	98.8	Very high	98	Very high	31 Å²	31	40.9 Å²	40.9	20%	0.201	21%	0.213	C	C	.	.			trans	-52.4	137.1	174.7	-27.6	33.9	0	0	0	113.1	D247 Y248 I249 Y286 N332	D247-P284 VanDerWaalsContact O-CD 3.3Å; D247-P284 WeakPolarHBondContact O-CD 3.33Å; Y248-P284 CarbonylContact C-O 3.22Å; Y248-P284 WeakPolarHBondContact CA-O 3.42Å; I249-P284 PolarHBondContact N-O 3.23Å; P284-Y286 HydrophobicContact CB-CD1 4.5Å; P284-Y286 HydrophobicContact CB-CE1 3.91Å; P284-N332 CarbonylContact C-O 3.51Å; P284-N332 VanDerWaalsContact CA-O 3.29Å; P284-N332 WeakPolarHBondContact CA-O 3.24Å
285	I	98.8	Very high	98	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.015	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.4	173.8	-56.5	-55.9	0	0	0	109.9	I249 L251 V270 I331 N332 Y333 T334	I249-I285 HydrophobicContact CB-CD1 3.82Å; I249-I285 HydrophobicContact CD1-CD1 4.17Å; I249-I285 HydrophobicContact CG2-CD1 4.35Å; I249-I285 WeakPolarHBondContact O-CA 3.39Å; L251-I285 HydrophobicContact CD1-CG2 4.11Å; V270-I285 HydrophobicContact CG1-CD1 4.19Å; V270-I285 HydrophobicContact CG1-CG1 4.01Å; V270-I285 HydrophobicContact CG2-CD1 4.3Å; V270-I285 HydrophobicContact CG2-CG1 4.06Å; V270-I285 HydrophobicContact CG2-CG2 3.79Å; I285-I331 HydrophobicContact CB-CG2 4.27Å; I285-I331 HydrophobicContact CG1-CG2 3.94Å; I285-N332 PolarHBondContact N-O 3.31Å; I285-Y333 HydrophobicContact CB-CD2 4.44Å; I285-Y333 HydrophobicContact CG2-CD2 4.19Å; I285-T334 PolarHBondContact O-N 3.14Å
286	Y	98.9	Very high	98	Very high	7 Å²	7	37.1 Å²	37.1	3%	0.027	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	143	174.3	-64.3	3.9	0	0	0	109.4	N166 R207 Y248 I249 L251 P284 T334 L335	N166-Y286 HydrophobicContact CB-CE2 4.46Å; N166-Y286 PolarHBondContact OD1-OH 3.45Å; R207-Y286 PolarHBondContact NH1-OH 3.29Å; R207-Y286 VanDerWaalsContact NH1-OH 3.16Å; Y248-Y286 HydrophobicContact CD1-CE2 4Å; Y248-Y286 HydrophobicContact CD2-CD1 4.47Å; Y248-Y286 AromaticContact CD2-CD2 3.38Å; Y248-Y286 HydrophobicContact CD2-CD2 3.38Å; Y248-Y286 AromaticContact CD2-CE2 3.56Å; Y248-Y286 HydrophobicContact CD2-CE2 3.56Å; Y248-Y286 AromaticContact CD2-CG 3.89Å; Y248-Y286 HydrophobicContact CD2-CG 3.89Å; Y248-Y286 HydrophobicContact CE1-CE2 4.18Å; Y248-Y286 AromaticContact CE2-CD2 3.55Å; Y248-Y286 HydrophobicContact CE2-CD2 3.55Å; Y248-Y286 AromaticContact CE2-CE2 3.77Å; Y248-Y286 HydrophobicContact CE2-CE2 3.77Å; Y248-Y286 HydrophobicContact CE2-CG 4.41Å; Y248-Y286 AromaticContact CG-CD2 3.97Å; Y248-Y286 HydrophobicContact CG-CD2 3.97Å; Y248-Y286 HydrophobicContact CG-CE1 4.36Å; Y248-Y286 AromaticContact CG-CE2 3.68Å; Y248-Y286 HydrophobicContact CG-CE2 3.68Å; Y248-Y286 HydrophobicContact CG-CG 4.46Å; Y248-Y286 AromaticContact CG-CZ 3.9Å; I249-Y286 PolarHBondContact O-N 2.93Å; L251-Y286 PolarHBondContact N-O 2.89Å; P284-Y286 HydrophobicContact CB-CD1 4.5Å; P284-Y286 HydrophobicContact CB-CE1 3.91Å; Y286-T334 HydrophobicContact CD1-CG2 4.48Å; Y286-T334 HydrophobicContact CE1-CG2 3.67Å; Y286-L335 WeakPolarHBondContact CA-O 3.18Å; Y286-L335 HydrophobicContact CD1-CB 3.5Å; Y286-L335 HydrophobicContact CD2-CB 3.99Å; Y286-L335 HydrophobicContact CD2-CD1 4.16Å; Y286-L335 HydrophobicContact CD2-CD2 4.36Å; Y286-L335 HydrophobicContact CD2-CG 4.41Å; Y286-L335 HydrophobicContact CE1-CB 3.9Å; Y286-L335 HydrophobicContact CE2-CB 4.3Å; Y286-L335 HydrophobicContact CE2-CD1 4.08Å; Y286-L335 HydrophobicContact CG-CB 3.59Å; Y286-L335 HydrophobicContact CG-CD2 4.37Å; Y286-L335 HydrophobicContact CG-CG 4.39Å
287	N	98.9	Very high	98	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	90.5	155.1	-173.4	-3.6	0	0	0	109.1	L251 K253 E266 E289 A290 Y333 L335 L336 S337	L251-N287 WeakPolarHBondContact O-CA 3.37Å; L251-N287 PolarHBondContact O-OD1 3.47Å; K253-N287 PolarHBondContact N-OD1 2.58Å; K253-N287 PolarHBondContact O-ND2 2.78Å; E266-N287 WeakPolarHBondContact OE1-CB 3.4Å; E266-N287 PolarHBondContact OE1-ND2 3.5Å; N287-E289 VanDerWaalsContact C-N 3.25Å; N287-E289 PolarHBondContact O-N 2.98Å; N287-E289 PolarHBondContact OD1-N 3.13Å; N287-A290 HydrophobicContact CB-CB 4.07Å; N287-A290 VanDerWaalsContact CG-CB 3.44Å; N287-A290 WeakPolarHBondContact ND2-CB 3.5Å; N287-A290 WeakPolarHBondContact OD1-CA 3.21Å; N287-A290 PolarHBondContact OD1-N 2.96Å; N287-Y333 HydrophobicContact CB-CE2 4.4Å; N287-Y333 WeakPolarHBondContact CB-OH 3.4Å; N287-L335 PolarHBondContact N-O 3.49Å; N287-L336 CarbonylContact O-C 3.57Å; N287-L336 WeakPolarHBondContact O-CA 3.41Å; N287-S337 PolarHBondContact O-N 3.16Å
288	D	98.7	Very high	98.1	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	2.8	-174.3	18.8	43	0	0	0	113.7	A250 H252 L335 S337	A250-D288 WeakPolarHBondContact CB-OD2 3.38Å; H252-D288 IonicContact CD2-OD1 3.01Å; H252-D288 PolarHBondContact CD2-OD1 2.83Å; H252-D288 IonicContact NE2-OD1 3.7Å; H252-D288 PolarHBondContact NE2-OD1 3.07Å; D288-L335 HydrophobicContact CB-CD2 4.26Å; D288-S337 WeakPolarHBondContact O-CB 3.19Å; D288-S337 PolarHBondContact O-OG 3.12Å
289	E	98.8	Very high	98.1	Very high	10 Å²	10	39 Å²	39	5%	0.047	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.3	57.1	166.2	-54.3	-173.3	-164.1	0	0	112.9	R80 H82 N171 H252 K254 N287 D291 D339	R80-E289 IonicContact CZ-OE1 3.45Å; R80-E289 IonicContact NH1-OE1 3.29Å; R80-E289 PolarHBondContact NH1-OE1 2.89Å; H82-E289 IonicContact CE1-OE1 2.79Å; H82-E289 IonicContact NE2-OE1 3.7Å; N171-E289 PolarHBondContact OD1-OE1 3.37Å; H252-E289 HydrophobicContact CB-CB 4.36Å; H252-E289 IonicContact CE1-OE1 3.09Å; H252-E289 PolarHBondContact CE1-OE1 3.45Å; H252-E289 IonicContact ND1-OE1 3.43Å; H252-E289 PolarHBondContact ND1-OE1 3.36Å; H252-E289 IonicContact ND1-OE2 3.85Å; H252-E289 IonicContact NE2-OE1 3.7Å; K254-E289 WeakPolarHBondContact CG-O 3.36Å; K254-E289 PolarHBondContact NZ-O 2.78Å; K254-E289 IonicContact NZ-OE2 2.79Å; K254-E289 PolarHBondContact NZ-OE2 2.8Å; N287-E289 VanDerWaalsContact C-N 3.25Å; N287-E289 PolarHBondContact O-N 2.98Å; N287-E289 PolarHBondContact OD1-N 3.13Å; E289-D291 PolarHBondContact O-N 3.2Å; E289-D339 HydrophobicContact CB-CB 4.11Å; E289-D339 HydrophobicContact CG-CB 3.97Å
290	A	98.7	Very high	98.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.208	C	C	.	.			trans	-78.1	52.4	-174.7	0	0	0	0	0	113.5	I262 N287 L336 S337	I262-A290 HydrophobicContact CG2-CB 4.36Å; N287-A290 HydrophobicContact CB-CB 4.07Å; N287-A290 VanDerWaalsContact CG-CB 3.44Å; N287-A290 WeakPolarHBondContact ND2-CB 3.5Å; N287-A290 WeakPolarHBondContact OD1-CA 3.21Å; N287-A290 PolarHBondContact OD1-N 2.96Å; A290-L336 HydrophobicContact CB-CD1 4.17Å; A290-L336 HydrophobicContact CB-CD2 3.85Å; A290-L336 HydrophobicContact CB-CG 3.59Å; A290-S337 PolarHBondContact N-O 2.99Å
291	D	98.8	Very high	98.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.231	C	C	.	.			trans	-86	149.5	-169.2	-50.7	-67.6	0	0	0	113.3	K254 G255 E289 L293 D339 R353	K254-D291 CarbonylContact C-O 3.53Å; K254-D291 WeakPolarHBondContact CA-O 3.24Å; K254-D291 WeakPolarHBondContact CB-O 3.34Å; K254-D291 HydrophobicContact CD-CB 4.38Å; K254-D291 HydrophobicContact CG-CB 4.3Å; K254-D291 IonicContact NZ-OD2 2.76Å; K254-D291 PolarHBondContact NZ-OD2 2.98Å; G255-D291 PolarHBondContact N-O 3.26Å; E289-D291 PolarHBondContact O-N 3.2Å; D291-L293 VanDerWaalsContact C-N 3.27Å; D291-L293 PolarHBondContact O-N 3.26Å; D291-D339 PolarHBondContact OD1-N 2.88Å; D291-R353 IonicContact OD1-CZ 3.51Å; D291-R353 VanDerWaalsContact OD1-CZ 3.29Å; D291-R353 IonicContact OD1-NE 3.18Å; D291-R353 PolarHBondContact OD1-NE 3.18Å; D291-R353 IonicContact OD1-NH1 3.59Å; D291-R353 IonicContact OD1-NH2 2.64Å; D291-R353 IonicContact OD2-CZ 2.8Å; D291-R353 IonicContact OD2-NE 3.19Å; D291-R353 IonicContact OD2-NH1 2.9Å; D291-R353 PolarHBondContact OD2-NH1 3.18Å; D291-R353 IonicContact OD2-NH2 3.55Å; D291-R353 PolarHBondContact OD2-NH2 2.87Å
292	P	98.4	Very high	98.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	21%	0.21	C	C	.	.	S	Bend	trans	-53.6	-41.3	171	-30.6	36.8	0	0	0	114.1	G255 G256 G257 W302 Y308 M311 I315	G255-P292 CarbonylContact C-O 3.59Å; G255-P292 VanDerWaalsContact C-O 3.22Å; G255-P292 VanDerWaalsContact CA-O 3.25Å; G255-P292 WeakPolarHBondContact CA-O 3.49Å; G255-P292 PolarHBondContact N-O 3.15Å; G256-P292 PolarHBondContact N-O 3.3Å; G257-P292 WeakPolarHBondContact CA-O 3.17Å; G257-P292 PolarHBondContact N-O 3Å; P292-W302 HydrophobicContact CB-CH2 3.82Å; P292-W302 HydrophobicContact CB-CZ3 4.03Å; P292-W302 HydrophobicContact CG-CZ3 4.4Å; P292-Y308 HydrophobicContact CG-CD2 4.12Å; P292-Y308 HydrophobicContact CG-CE2 3.77Å; P292-M311 HydrophobicContact CB-CE 3.65Å; P292-M311 HydrophobicContact CB-SD 3.68Å; P292-M311 HydrophobicContact CG-CE 4.15Å; P292-M311 HydrophobicContact CG-CG 4.42Å; P292-M311 HydrophobicContact CG-SD 3.84Å; P292-I315 HydrophobicContact CG-CD1 3.89Å
293	L	98.6	Very high	98.5	Very high	28 Å²	28	33 Å²	33	15%	0.147	18%	0.18	C	C	.	.	S	Bend	trans	-147.8	135.9	-176	-175.6	69.4	0	0	0	110.8	D291 Q300 W302 R303 R353	D291-L293 VanDerWaalsContact C-N 3.27Å; D291-L293 PolarHBondContact O-N 3.26Å; L293-Q300 HydrophobicContact CD2-CG 4.2Å; L293-W302 HydrophobicContact CB-CH2 4.01Å; L293-W302 HydrophobicContact CB-CZ2 3.94Å; L293-W302 HydrophobicContact CD2-CZ2 3.97Å; L293-R303 PolarHBondContact O-NH2 2.82Å; L293-R353 PolarHBondContact O-NH1 3.4Å; L293-R353 VanDerWaalsContact O-NH1 3.11Å
294	V	97.2	Very high	98.5	Very high	95 Å²	95	32.3 Å²	32.3	58%	0.576	18%	0.176	S	C	*	.	S	Bend	trans	-62.2	156	173	69.1	0	0	0	0	112.6	K254	K254-V294 HydrophobicContact CD-CB 3.78Å; K254-V294 HydrophobicContact CD-CG2 4.03Å
295	G	97.6	Very high	98.5	Very high	34 Å²	34	31.7 Å²	31.7	35%	0.351	17%	0.171	S	C	.	.			trans	77.2	81.3	179.1	0	0	0	0	0	111.5	S297 K298 R303	G295-S297 PolarHBondContact O-N 3.3Å; G295-K298 WeakPolarHBondContact O-CB 3.49Å; G295-K298 PolarHBondContact O-N 2.81Å; G295-R303 PolarHBondContact O-NH1 2.81Å; G295-R303 PolarHBondContact O-NH2 3.07Å; G295-R303 VanDerWaalsContact O-NH2 3.09Å
296	W	98.6	Very high	98.5	Very high	56 Å²	56	31.6 Å²	31.6	21%	0.212	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-35	-175.7	74.3	-97.2	0	0	0	112.8	R303 F342 Y345 Q352 R353 T354	W296-R303 PolarHBondContact O-NH1 2.81Å; W296-R303 VanDerWaalsContact O-NH1 3.1Å; W296-F342 HydrophobicContact CB-CD2 3.85Å; W296-F342 HydrophobicContact CB-CE2 3.77Å; W296-F342 HydrophobicContact CB-CG 4.43Å; W296-F342 HydrophobicContact CB-CZ 4.28Å; W296-F342 AromaticContact CD1-CD1 3.98Å; W296-F342 AromaticContact CD1-CE1 3.54Å; W296-F342 AromaticContact CD1-CE2 3.91Å; W296-F342 AromaticContact CD1-CZ 3.52Å; W296-F342 HydrophobicContact CD2-CB 3.96Å; W296-F342 AromaticContact CD2-CD1 3.57Å; W296-F342 HydrophobicContact CD2-CD1 3.57Å; W296-F342 AromaticContact CD2-CD2 3.87Å; W296-F342 HydrophobicContact CD2-CD2 3.87Å; W296-F342 AromaticContact CD2-CE1 3.97Å; W296-F342 HydrophobicContact CD2-CE1 3.97Å; W296-F342 HydrophobicContact CD2-CE2 4.24Å; W296-F342 AromaticContact CD2-CG 3.52Å; W296-F342 HydrophobicContact CD2-CG 3.52Å; W296-F342 HydrophobicContact CD2-CZ 4.3Å; W296-F342 AromaticContact CE2-CD1 3.39Å; W296-F342 AromaticContact CE2-CE1 3.67Å; W296-F342 AromaticContact CE2-CG 3.87Å; W296-F342 HydrophobicContact CE3-CB 3.52Å; W296-F342 HydrophobicContact CE3-CD1 4.04Å; W296-F342 HydrophobicContact CE3-CD2 4.11Å; W296-F342 AromaticContact CE3-CG 3.63Å; W296-F342 HydrophobicContact CE3-CG 3.63Å; W296-F342 AromaticContact CG-CD1 3.97Å; W296-F342 HydrophobicContact CG-CD1 3.97Å; W296-F342 AromaticContact CG-CD2 3.76Å; W296-F342 HydrophobicContact CG-CD2 3.76Å; W296-F342 AromaticContact CG-CE1 3.91Å; W296-F342 HydrophobicContact CG-CE1 3.91Å; W296-F342 AromaticContact CG-CE2 3.71Å; W296-F342 HydrophobicContact CG-CE2 3.71Å; W296-F342 AromaticContact CG-CG 3.9Å; W296-F342 HydrophobicContact CG-CG 3.9Å; W296-F342 AromaticContact CG-CZ 3.8Å; W296-F342 HydrophobicContact CG-CZ 3.8Å; W296-F342 HydrophobicContact CH2-CB 4.03Å; W296-F342 HydrophobicContact CH2-CD1 4.14Å; W296-F342 HydrophobicContact CH2-CG 4.34Å; W296-F342 HydrophobicContact CZ2-CB 4.44Å; W296-F342 AromaticContact CZ2-CD1 3.7Å; W296-F342 HydrophobicContact CZ2-CD1 3.7Å; W296-F342 HydrophobicContact CZ2-CE1 4.29Å; W296-F342 HydrophobicContact CZ2-CG 4.27Å; W296-F342 HydrophobicContact CZ3-CB 3.57Å; W296-F342 HydrophobicContact CZ3-CD1 4.31Å; W296-F342 HydrophobicContact CZ3-CG 4.06Å; W296-F342 AromaticContact NE1-CD1 3.66Å; W296-F342 AromaticContact NE1-CE1 3.39Å; W296-F342 AromaticContact NE1-CZ 3.9Å; W296-Y345 AromaticContact CH2-CD2 3.76Å; W296-Y345 HydrophobicContact CH2-CD2 3.76Å; W296-Y345 AromaticContact CH2-CE2 3.72Å; W296-Y345 HydrophobicContact CH2-CE2 3.72Å; W296-Y345 HydrophobicContact CZ2-CE2 4.3Å; W296-Q352 HydrophobicContact CE3-CB 4.42Å; W296-Q352 HydrophobicContact CZ3-CB 4.45Å; W296-R353 HydrophobicContact CB-CB 4.07Å; W296-R353 PolarHBondContact O-N 3.05Å; W296-T354 HydrophobicContact CZ3-CG2 4.44Å
297	S	98.4	Very high	98.5	Very high	58 Å²	58	31.3 Å²	31.3	41%	0.406	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-13.1	-175.4	61.2	0	0	0	0	114.2	G295 P299 Q352	G295-S297 PolarHBondContact O-N 3.3Å; S297-P299 WeakPolarHBondContact O-CD 3.02Å; S297-Q352 WeakPolarHBondContact O-CG 3.23Å; S297-Q352 PolarHBondContact O-NE2 3.25Å
298	K	98.4	Very high	98.5	Very high	117 Å²	117	31.2 Å²	31.2	51%	0.509	17%	0.169	S	C	.	.	S	Bend	trans	-64.5	120.5	177.2	-174.5	178.7	179.9	-179	0	109.4	G295 Q300 R303	G295-K298 WeakPolarHBondContact O-CB 3.49Å; G295-K298 PolarHBondContact O-N 2.81Å; K298-Q300 PolarHBondContact O-N 2.66Å; K298-R303 PolarHBondContact O-NH1 3.12Å
299	P	98.6	Very high	98.5	Very high	53 Å²	53	31.2 Å²	31.2	34%	0.344	17%	0.169	S	C	.	.			trans	-65.7	130.3	179	27.3	-34.2	0	0	0	109.9	S297 H348 T351	S297-P299 WeakPolarHBondContact O-CD 3.02Å; P299-H348 HydrophobicContact CB-CB 4.4Å; P299-T351 CarbonylContact C-O 3.6Å; P299-T351 WeakPolarHBondContact CA-O 3.26Å; P299-T351 WeakPolarHBondContact CB-OG1 3.46Å
300	Q	98.7	Very high	98.5	Very high	46 Å²	46	30.7 Å²	30.7	22%	0.215	17%	0.167	C	C	.	.			trans	-139.7	127.2	174	-63.2	-66.9	-68	0	0	108.5	L293 K298 W302 R303 T351	L293-Q300 HydrophobicContact CD2-CG 4.2Å; K298-Q300 PolarHBondContact O-N 2.66Å; Q300-W302 VanDerWaalsContact C-N 3.3Å; Q300-W302 HydrophobicContact CB-CD2 4.29Å; Q300-W302 HydrophobicContact CB-CG 4.38Å; Q300-W302 HydrophobicContact CB-CZ2 4.18Å; Q300-W302 HydrophobicContact CG-CZ2 4.02Å; Q300-W302 PolarHBondContact O-N 2.86Å; Q300-R303 HydrophobicContact CB-CB 4.28Å; Q300-R303 HydrophobicContact CB-CG 3.82Å; Q300-R303 HydrophobicContact CG-CG 4.47Å; Q300-R303 WeakPolarHBondContact O-CB 3.22Å; Q300-R303 PolarHBondContact O-N 3.09Å; Q300-R303 VanDerWaalsContact O-N 3.1Å; Q300-T351 PolarHBondContact N-O 2.85Å; Q300-T351 WeakPolarHBondContact O-CA 3.35Å; Q300-T351 WeakPolarHBondContact O-CB 3.47Å
301	E	98.3	Very high	98.6	Very high	116 Å²	116	30.7 Å²	30.7	54%	0.542	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-58	-43.6	-178.9	-65.5	-59.2	129.8	0	0	111.8	R303 A304 H473	E301-R303 PolarHBondContact O-N 3.25Å; E301-R303 VanDerWaalsContact O-N 3.11Å; E301-A304 WeakPolarHBondContact O-CB 3.41Å; E301-A304 PolarHBondContact O-N 3.09Å; E301-H473 IonicContact OE2-CE1 2.78Å; E301-H473 PolarHBondContact OE2-CE1 2.68Å; E301-H473 VanDerWaalsContact OE2-CE1 3.3Å
302	W	98.6	Very high	98.6	Very high	19 Å²	19	30.8 Å²	30.8	7%	0.072	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-64.1	-17.8	179.9	60.7	-98.5	0	0	0	114.2	P292 L293 Q300 A304 T307 Y308 N436	P292-W302 HydrophobicContact CB-CH2 3.82Å; P292-W302 HydrophobicContact CB-CZ3 4.03Å; P292-W302 HydrophobicContact CG-CZ3 4.4Å; L293-W302 HydrophobicContact CB-CH2 4.01Å; L293-W302 HydrophobicContact CB-CZ2 3.94Å; L293-W302 HydrophobicContact CD2-CZ2 3.97Å; Q300-W302 VanDerWaalsContact C-N 3.3Å; Q300-W302 HydrophobicContact CB-CD2 4.29Å; Q300-W302 HydrophobicContact CB-CG 4.38Å; Q300-W302 HydrophobicContact CB-CZ2 4.18Å; Q300-W302 HydrophobicContact CG-CZ2 4.02Å; Q300-W302 PolarHBondContact O-N 2.86Å; W302-A304 PolarHBondContact O-N 3.43Å; W302-T307 HydrophobicContact CB-CG2 3.67Å; W302-Y308 HydrophobicContact CZ3-CD2 4.09Å; W302-Y308 HydrophobicContact CZ3-CG 4.37Å; W302-Y308 WeakPolarHBondContact O-CB 3.5Å; W302-Y308 PolarHBondContact O-N 3.15Å; W302-N436 HydrophobicContact CD2-CB 3.9Å; W302-N436 HydrophobicContact CE3-CB 4.5Å; W302-N436 HydrophobicContact CG-CB 3.94Å
303	R	98.8	Very high	98.6	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-74.5	-14.5	174.4	-73	178.1	174.9	174	-10	113	L293 G295 W296 K298 Q300 E301 K374	L293-R303 PolarHBondContact O-NH2 2.82Å; G295-R303 PolarHBondContact O-NH1 2.81Å; G295-R303 PolarHBondContact O-NH2 3.07Å; G295-R303 VanDerWaalsContact O-NH2 3.09Å; W296-R303 PolarHBondContact O-NH1 2.81Å; W296-R303 VanDerWaalsContact O-NH1 3.1Å; K298-R303 PolarHBondContact O-NH1 3.12Å; Q300-R303 HydrophobicContact CB-CB 4.28Å; Q300-R303 HydrophobicContact CB-CG 3.82Å; Q300-R303 HydrophobicContact CG-CG 4.47Å; Q300-R303 WeakPolarHBondContact O-CB 3.22Å; Q300-R303 PolarHBondContact O-N 3.09Å; Q300-R303 VanDerWaalsContact O-N 3.1Å; E301-R303 PolarHBondContact O-N 3.25Å; E301-R303 VanDerWaalsContact O-N 3.11Å; R303-K374 WeakPolarHBondContact O-CE 3.36Å; R303-K374 PolarHBondContact O-NZ 2.9Å
304	A	98.8	Very high	98.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.008	16%	0.16	C	C	.	.	S	Bend	trans	-83.6	-27.8	-172.4	0	0	0	0	0	114.3	E301 W302 F350 T351 H473	E301-A304 WeakPolarHBondContact O-CB 3.41Å; E301-A304 PolarHBondContact O-N 3.09Å; W302-A304 PolarHBondContact O-N 3.43Å; A304-F350 WeakPolarHBondContact CA-O 3.45Å; A304-F350 HydrophobicContact CB-CB 3.77Å; A304-T351 HydrophobicContact CB-CG2 4.19Å; A304-H473 HydrophobicContact CB-CB 3.86Å; A304-H473 VanDerWaalsContact CB-ND1 3.29Å; A304-H473 WeakPolarHBondContact CB-ND1 3.42Å
305	D	98.7	Very high	98.7	Very high	19 Å²	19	24.9 Å²	24.9	10%	0.102	13%	0.132	C	C	.	.	S	Bend	trans	-133.8	-156.5	-162.5	67.6	19.2	0	0	0	113.4	T307 N467	D305-T307 PolarHBondContact O-N 3.43Å; D305-T307 WeakPolarHBondContact OD1-CB 3.35Å; D305-T307 PolarHBondContact OD1-N 2.9Å; D305-T307 PolarHBondContact OD1-OG1 2.77Å; D305-N467 VanDerWaalsContact CB-OD1 3.24Å; D305-N467 WeakPolarHBondContact CB-OD1 3.3Å; D305-N467 PolarHBondContact OD1-ND2 2.85Å; D305-N467 PolarHBondContact OD1-OD1 3.25Å; D305-N467 PolarHBondContact OD2-ND2 3.43Å; D305-N467 VanDerWaalsContact OD2-ND2 3.16Å; D305-N467 PolarHBondContact OD2-OD1 2.91Å
306	V	98.9	Very high	98.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-69.1	-14	-175.7	-176.8	0	0	0	0	112.2	A309 A310 P375 L465 D466 N467 P522	V306-A309 HydrophobicContact CG1-CB 4.47Å; V306-A309 PolarHBondContact O-N 2.68Å; V306-A310 WeakPolarHBondContact O-CB 3.43Å; V306-A310 PolarHBondContact O-N 3.39Å; V306-P375 HydrophobicContact CG2-CB 3.84Å; V306-P375 HydrophobicContact CG2-CG 4.18Å; V306-L465 HydrophobicContact CG1-CB 4.06Å; V306-L465 HydrophobicContact CG2-CB 4.26Å; V306-D466 VanDerWaalsContact CG2-C 3.46Å; V306-D466 WeakPolarHBondContact CG2-O 3.37Å; V306-N467 VanDerWaalsContact CB-OD1 3.26Å; V306-N467 WeakPolarHBondContact CB-OD1 3.42Å; V306-N467 PolarHBondContact N-OD1 2.98Å; V306-P522 HydrophobicContact CB-CG 4.17Å; V306-P522 HydrophobicContact CG1-CB 4.42Å; V306-P522 HydrophobicContact CG1-CG 4.3Å
307	T	98.9	Very high	98.7	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-61.1	-50.2	176.5	-50.6	0	0	0	0	110.6	W302 D305 A309 M311 D435 T438 P522	W302-T307 HydrophobicContact CB-CG2 3.67Å; D305-T307 PolarHBondContact O-N 3.43Å; D305-T307 WeakPolarHBondContact OD1-CB 3.35Å; D305-T307 PolarHBondContact OD1-N 2.9Å; D305-T307 PolarHBondContact OD1-OG1 2.77Å; T307-A309 PolarHBondContact O-N 3.18Å; T307-M311 WeakPolarHBondContact O-CB 3.15Å; T307-M311 PolarHBondContact O-N 3.49Å; T307-M311 VanDerWaalsContact O-N 3.1Å; T307-D435 WeakPolarHBondContact CG2-O 3.48Å; T307-T438 PolarHBondContact OG1-OG1 3.43Å; T307-P522 WeakPolarHBondContact OG1-CG 3.47Å
308	Y	98.9	Very high	98.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.6	-41.2	174.6	-179.6	-151.8	0	0	0	112.2	P292 W302 A310 M311 V312 N340 R353 V376	P292-Y308 HydrophobicContact CG-CD2 4.12Å; P292-Y308 HydrophobicContact CG-CE2 3.77Å; W302-Y308 HydrophobicContact CZ3-CD2 4.09Å; W302-Y308 HydrophobicContact CZ3-CG 4.37Å; W302-Y308 WeakPolarHBondContact O-CB 3.5Å; W302-Y308 PolarHBondContact O-N 3.15Å; Y308-A310 PolarHBondContact O-N 3.11Å; Y308-M311 PolarHBondContact O-N 2.88Å; Y308-V312 HydrophobicContact CD2-CG2 3.81Å; Y308-V312 HydrophobicContact CE2-CG2 3.4Å; Y308-V312 WeakPolarHBondContact O-CG2 3.09Å; Y308-V312 PolarHBondContact O-N 3.28Å; Y308-N340 PolarHBondContact OH-ND2 3.32Å; Y308-R353 HydrophobicContact CE1-CG 4.16Å; Y308-V376 HydrophobicContact CD1-CB 3.67Å; Y308-V376 HydrophobicContact CD1-CG1 3.78Å; Y308-V376 HydrophobicContact CD1-CG2 3.78Å; Y308-V376 HydrophobicContact CE1-CB 3.91Å; Y308-V376 HydrophobicContact CE1-CG1 3.8Å; Y308-V376 HydrophobicContact CE1-CG2 3.61Å; Y308-V376 HydrophobicContact CE2-CG2 4.39Å; Y308-V376 HydrophobicContact CG-CB 4.29Å; Y308-V376 HydrophobicContact CG-CG2 4.25Å
309	A	98.9	Very high	98.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.5	-49.5	179.8	0	0	0	0	0	112.4	V306 T307 M311 V312 V313 P375 V379	V306-A309 HydrophobicContact CG1-CB 4.47Å; V306-A309 PolarHBondContact O-N 2.68Å; T307-A309 PolarHBondContact O-N 3.18Å; A309-M311 VanDerWaalsContact C-N 3.32Å; A309-M311 PolarHBondContact O-N 2.89Å; A309-V312 PolarHBondContact O-N 2.91Å; A309-V313 PolarHBondContact O-N 2.91Å; A309-P375 HydrophobicContact CB-CB 4.12Å; A309-V379 HydrophobicContact CB-CB 4.04Å; A309-V379 HydrophobicContact CB-CG1 3.93Å
310	A	98.9	Very high	98.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-66.4	-35.5	179.1	0	0	0	0	0	111.8	V306 Y308 V313 K314 P522 V524	V306-A310 WeakPolarHBondContact O-CB 3.43Å; V306-A310 PolarHBondContact O-N 3.39Å; Y308-A310 PolarHBondContact O-N 3.11Å; A310-V313 PolarHBondContact O-N 3.31Å; A310-K314 PolarHBondContact O-N 3.42Å; A310-P522 HydrophobicContact CB-CB 3.99Å; A310-V524 HydrophobicContact CB-CG2 3.8Å
311	M	98.8	Very high	98.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-64.9	-38.3	175.7	-171.9	178.4	-173.3	0	0	112.5	S259 P292 T307 Y308 A309 V313 K314 I315 S433 D435	S259-M311 VanDerWaalsContact N-CE 3.32Å; P292-M311 HydrophobicContact CB-CE 3.65Å; P292-M311 HydrophobicContact CB-SD 3.68Å; P292-M311 HydrophobicContact CG-CE 4.15Å; P292-M311 HydrophobicContact CG-CG 4.42Å; P292-M311 HydrophobicContact CG-SD 3.84Å; T307-M311 WeakPolarHBondContact O-CB 3.15Å; T307-M311 PolarHBondContact O-N 3.49Å; T307-M311 VanDerWaalsContact O-N 3.1Å; Y308-M311 PolarHBondContact O-N 2.88Å; A309-M311 VanDerWaalsContact C-N 3.32Å; A309-M311 PolarHBondContact O-N 2.89Å; M311-V313 VanDerWaalsContact C-N 3.34Å; M311-V313 PolarHBondContact O-N 3.17Å; M311-K314 WeakPolarHBondContact O-CB 3.36Å; M311-K314 PolarHBondContact O-N 3.27Å; M311-I315 HydrophobicContact CE-CD1 4.49Å; M311-I315 HydrophobicContact CG-CD1 4.16Å; M311-I315 VanDerWaalsContact O-CG1 3.3Å; M311-I315 WeakPolarHBondContact O-CG1 3.44Å; M311-I315 PolarHBondContact O-N 3.44Å; M311-S433 WeakPolarHBondContact CA-OG 3.29Å; M311-S433 PolarHBondContact N-OG 2.68Å; M311-D435 HydrophobicContact CE-CB 3.78Å; M311-D435 HydrophobicContact SD-CB 4.24Å
312	V	98.9	Very high	98.1	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.006	5%	0.045	C	C	.	.	H	α-helix	trans	-60.5	-43.9	173.8	168.5	0	0	0	0	111	Y308 A309 K314 I315 I316 V376 M380	Y308-V312 HydrophobicContact CD2-CG2 3.81Å; Y308-V312 HydrophobicContact CE2-CG2 3.4Å; Y308-V312 WeakPolarHBondContact O-CG2 3.09Å; Y308-V312 PolarHBondContact O-N 3.28Å; A309-V312 PolarHBondContact O-N 2.91Å; V312-K314 VanDerWaalsContact C-N 3.35Å; V312-K314 PolarHBondContact O-N 3.06Å; V312-I315 PolarHBondContact O-N 2.99Å; V312-I316 HydrophobicContact CG1-CD1 3.96Å; V312-I316 WeakPolarHBondContact O-CG1 3.25Å; V312-I316 PolarHBondContact O-N 3.22Å; V312-V376 HydrophobicContact CG2-CG2 3.94Å; V312-M380 HydrophobicContact CG1-SD 4.21Å
313	V	98.9	Very high	98	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-62.9	-42.4	175.6	-179	0	0	0	0	111.1	A309 A310 M311 I315 I316 K317 V379 L383 L429 Y431 V524	A309-V313 PolarHBondContact O-N 2.91Å; A310-V313 PolarHBondContact O-N 3.31Å; M311-V313 VanDerWaalsContact C-N 3.34Å; M311-V313 PolarHBondContact O-N 3.17Å; V313-I315 PolarHBondContact O-N 3.49Å; V313-I316 PolarHBondContact O-N 3.14Å; V313-K317 WeakPolarHBondContact O-CB 3.27Å; V313-K317 PolarHBondContact O-N 2.92Å; V313-V379 HydrophobicContact CG2-CG1 4.31Å; V313-V379 HydrophobicContact CG2-CG2 3.41Å; V313-V379 VanDerWaalsContact CG2-CG2 3.41Å; V313-L383 HydrophobicContact CG2-CD1 4.32Å; V313-L383 HydrophobicContact CG2-CD2 4.46Å; V313-L383 HydrophobicContact CG2-CG 4.43Å; V313-L429 HydrophobicContact CG1-CD2 3.72Å; V313-L429 HydrophobicContact CG1-CG 4.21Å; V313-L429 HydrophobicContact CG2-CD2 4.34Å; V313-Y431 HydrophobicContact CG1-CD1 3.87Å; V313-Y431 HydrophobicContact CG1-CG 4.32Å; V313-V524 HydrophobicContact CG2-CG2 4.4Å
314	K	98.7	Very high	97.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.5	-44.8	176.5	-179	174.9	-179.2	-172.2	0	112	S259 A310 M311 V312 K317 Q318 N403 Y431 S433 D435	S259-K314 VanDerWaalsContact OG-CE 3.25Å; S259-K314 WeakPolarHBondContact OG-CE 3.4Å; A310-K314 PolarHBondContact O-N 3.42Å; M311-K314 WeakPolarHBondContact O-CB 3.36Å; M311-K314 PolarHBondContact O-N 3.27Å; V312-K314 VanDerWaalsContact C-N 3.35Å; V312-K314 PolarHBondContact O-N 3.06Å; K314-K317 PolarHBondContact O-N 2.99Å; K314-Q318 WeakPolarHBondContact O-CG 3.13Å; K314-Q318 PolarHBondContact O-N 2.82Å; K314-N403 WeakPolarHBondContact CE-OD1 3.4Å; K314-N403 PolarHBondContact NZ-OD1 3.37Å; K314-Y431 HydrophobicContact CB-CD2 3.98Å; K314-Y431 HydrophobicContact CB-CE1 4.4Å; K314-Y431 HydrophobicContact CB-CE2 3.72Å; K314-Y431 HydrophobicContact CB-CG 4.47Å; K314-Y431 HydrophobicContact CD-CE2 3.93Å; K314-Y431 HydrophobicContact CG-CD2 4.39Å; K314-Y431 HydrophobicContact CG-CE2 3.65Å; K314-S433 PolarHBondContact NZ-O 3.17Å; K314-D435 WeakPolarHBondContact CD-OD1 3.37Å; K314-D435 WeakPolarHBondContact CE-OD1 3.38Å; K314-D435 IonicContact NZ-OD1 2.71Å; K314-D435 PolarHBondContact NZ-OD1 2.89Å
315	I	98.8	Very high	97.7	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-60.2	-51	176.5	-69.5	163.6	0	0	0	110.2	I262 P292 M311 V312 V313 K317 Q318 H319 L336	I262-I315 HydrophobicContact CD1-CD1 3.63Å; I262-I315 HydrophobicContact CD1-CG1 4.06Å; I262-I315 HydrophobicContact CD1-CG2 4.21Å; P292-I315 HydrophobicContact CG-CD1 3.89Å; M311-I315 HydrophobicContact CE-CD1 4.49Å; M311-I315 HydrophobicContact CG-CD1 4.16Å; M311-I315 VanDerWaalsContact O-CG1 3.3Å; M311-I315 WeakPolarHBondContact O-CG1 3.44Å; M311-I315 PolarHBondContact O-N 3.44Å; V312-I315 PolarHBondContact O-N 2.99Å; V313-I315 PolarHBondContact O-N 3.49Å; I315-K317 VanDerWaalsContact C-N 3.26Å; I315-K317 PolarHBondContact O-N 2.81Å; I315-Q318 PolarHBondContact O-N 3.13Å; I315-H319 PolarHBondContact O-N 3.18Å; I315-H319 VanDerWaalsContact O-N 3.09Å; I315-H319 PolarHBondContact O-ND1 2.99Å; I315-L336 HydrophobicContact CG2-CD1 3.93Å
316	I	98.8	Very high	97.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-57.4	-43	178	-69.3	164	0	0	0	110.8	F37 W38 V312 V313 H319 Q320 L383 L409	F37-I316 HydrophobicContact CZ-CG2 4.01Å; W38-I316 HydrophobicContact CB-CD1 3.69Å; W38-I316 HydrophobicContact CB-CG1 3.88Å; W38-I316 HydrophobicContact CD2-CD1 3.91Å; W38-I316 HydrophobicContact CD2-CG1 4.31Å; W38-I316 HydrophobicContact CD2-CG2 3.87Å; W38-I316 HydrophobicContact CE3-CD1 4.49Å; W38-I316 HydrophobicContact CE3-CG1 4.44Å; W38-I316 HydrophobicContact CE3-CG2 3.38Å; W38-I316 HydrophobicContact CG-CD1 3.52Å; W38-I316 HydrophobicContact CG-CG1 4.08Å; W38-I316 HydrophobicContact CH2-CG2 4.38Å; W38-I316 HydrophobicContact CZ3-CG2 3.67Å; V312-I316 HydrophobicContact CG1-CD1 3.96Å; V312-I316 WeakPolarHBondContact O-CG1 3.25Å; V312-I316 PolarHBondContact O-N 3.22Å; V313-I316 PolarHBondContact O-N 3.14Å; I316-H319 PolarHBondContact O-N 3.34Å; I316-Q320 PolarHBondContact O-N 2.93Å; I316-L383 HydrophobicContact CD1-CD1 3.51Å; I316-L383 HydrophobicContact CD1-CD2 4.11Å; I316-L383 HydrophobicContact CD1-CG 4.48Å; I316-L409 HydrophobicContact CG2-CD1 4.12Å
317	K	97.5	Very high	97.1	Very high	22 Å²	22	19.2 Å²	19.2	10%	0.096	11%	0.109	C	C	.	.	H	α-helix	trans	-63.3	-46.2	177.6	176.1	40.6	143.4	65.7	0	112.1	V313 K314 I315 H319 Q320 D321 V408 L409 Y431	V313-K317 WeakPolarHBondContact O-CB 3.27Å; V313-K317 PolarHBondContact O-N 2.92Å; K314-K317 PolarHBondContact O-N 2.99Å; I315-K317 VanDerWaalsContact C-N 3.26Å; I315-K317 PolarHBondContact O-N 2.81Å; K317-H319 VanDerWaalsContact C-N 3.27Å; K317-H319 PolarHBondContact O-N 2.8Å; K317-Q320 PolarHBondContact O-N 3.37Å; K317-Q320 VanDerWaalsContact O-N 3.12Å; K317-D321 HydrophobicContact CD-CB 4.17Å; K317-D321 VanDerWaalsContact CD-CG 3.47Å; K317-D321 VanDerWaalsContact CD-OD1 3.24Å; K317-D321 WeakPolarHBondContact CD-OD1 3.43Å; K317-D321 WeakPolarHBondContact CE-OD1 3.49Å; K317-D321 WeakPolarHBondContact CE-OD2 3.4Å; K317-D321 VanDerWaalsContact NZ-CG 3.25Å; K317-D321 IonicContact NZ-OD1 3.9Å; K317-D321 IonicContact NZ-OD2 2.82Å; K317-D321 PolarHBondContact NZ-OD2 3.04Å; K317-D321 PolarHBondContact O-N 3.37Å; K317-V408 WeakPolarHBondContact CE-O 3.35Å; K317-V408 PolarHBondContact NZ-O 3.35Å; K317-L409 HydrophobicContact CB-CD1 4.09Å; K317-L409 HydrophobicContact CB-CG 4.09Å; K317-L409 HydrophobicContact CD-CD2 3.64Å; K317-L409 HydrophobicContact CD-CG 3.83Å; K317-L409 HydrophobicContact CG-CG 4.28Å; K317-Y431 HydrophobicContact CB-CE1 3.8Å; K317-Y431 HydrophobicContact CG-CE1 3.8Å
318	Q	97.6	Very high	96.9	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.028	14%	0.143	C	C	.	.	H	α-helix	trans	-56.3	-42.7	176.7	-74.9	167.2	-17.1	0	0	111.6	S259 K314 I315 L322	S259-Q318 VanDerWaalsContact C-OE1 3.31Å; S259-Q318 VanDerWaalsContact CB-OE1 3.29Å; S259-Q318 PolarHBondContact OG-NE2 3.35Å; S259-Q318 PolarHBondContact OG-OE1 2.78Å; K314-Q318 WeakPolarHBondContact O-CG 3.13Å; K314-Q318 PolarHBondContact O-N 2.82Å; I315-Q318 PolarHBondContact O-N 3.13Å; Q318-L322 HydrophobicContact CB-CD1 4.32Å; Q318-L322 HydrophobicContact CG-CD1 4.4Å; Q318-L322 VanDerWaalsContact O-CB 3.23Å; Q318-L322 WeakPolarHBondContact O-CB 3.43Å; Q318-L322 WeakPolarHBondContact O-CG 3.36Å; Q318-L322 PolarHBondContact O-N 3.43Å
319	H	98.3	Very high	96.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.157	C	C	.	.	I	π-helix	trans	-66.3	-41.2	176.3	-69	71.4	0	0	0	112.1	F37 E266 I315 I316 K317 L323 L324 Y333	F37-H319 HydrophobicContact CE2-CB 3.83Å; F37-H319 HydrophobicContact CZ-CB 3.77Å; E266-H319 IonicContact OE1-NE2 3.43Å; E266-H319 PolarHBondContact OE1-NE2 3.07Å; E266-H319 IonicContact OE2-CD2 3.86Å; E266-H319 PolarHBondContact OE2-CD2 2.84Å; E266-H319 VanDerWaalsContact OE2-CD2 3.31Å; E266-H319 IonicContact OE2-NE2 2.76Å; E266-H319 PolarHBondContact OE2-NE2 2.85Å; I315-H319 PolarHBondContact O-N 3.18Å; I315-H319 VanDerWaalsContact O-N 3.09Å; I315-H319 PolarHBondContact O-ND1 2.99Å; I316-H319 PolarHBondContact O-N 3.34Å; K317-H319 VanDerWaalsContact C-N 3.27Å; K317-H319 PolarHBondContact O-N 2.8Å; H319-L323 WeakPolarHBondContact O-CB 3.5Å; H319-L323 PolarHBondContact O-N 2.99Å; H319-L324 PolarHBondContact O-N 2.95Å; H319-Y333 AromaticContact CD2-CE1 3.9Å; H319-Y333 AromaticContact CD2-CZ 3.57Å; H319-Y333 PolarHBondContact CD2-OH 2.89Å; H319-Y333 PolarHBondContact NE2-OH 3.26Å
320	Q	96.6	Very high	96.5	Very high	5 Å²	5	32 Å²	32	2%	0.023	18%	0.181	C	C	.	.	I	π-helix	trans	-61.6	-49.8	176.7	-177.8	59.8	29.3	0	0	111.4	F34 I316 K317 L324 A325 L409	F34-Q320 HydrophobicContact CD2-CG 4.13Å; F34-Q320 HydrophobicContact CE2-CB 4.31Å; F34-Q320 VanDerWaalsContact CE2-CD 3.46Å; F34-Q320 HydrophobicContact CE2-CG 3.64Å; I316-Q320 PolarHBondContact O-N 2.93Å; K317-Q320 PolarHBondContact O-N 3.37Å; K317-Q320 VanDerWaalsContact O-N 3.12Å; Q320-L324 PolarHBondContact O-N 3.14Å; Q320-A325 WeakPolarHBondContact O-CA 3.37Å; Q320-A325 WeakPolarHBondContact O-CB 3.45Å; Q320-A325 PolarHBondContact O-N 3.43Å; Q320-L409 HydrophobicContact CB-CD2 4.07Å; Q320-L409 HydrophobicContact CG-CD2 4Å
321	D	93.6	Very high	96.5	Very high	60 Å²	60	32.7 Å²	32.7	32%	0.321	18%	0.184	S	C	.	.	I	π-helix	trans	-83.7	-41.8	-169.5	-86.7	32.2	0	0	0	114.1	K317 A325	K317-D321 HydrophobicContact CD-CB 4.17Å; K317-D321 VanDerWaalsContact CD-CG 3.47Å; K317-D321 VanDerWaalsContact CD-OD1 3.24Å; K317-D321 WeakPolarHBondContact CD-OD1 3.43Å; K317-D321 WeakPolarHBondContact CE-OD1 3.49Å; K317-D321 WeakPolarHBondContact CE-OD2 3.4Å; K317-D321 VanDerWaalsContact NZ-CG 3.25Å; K317-D321 IonicContact NZ-OD1 3.9Å; K317-D321 IonicContact NZ-OD2 2.82Å; K317-D321 PolarHBondContact NZ-OD2 3.04Å; K317-D321 PolarHBondContact O-N 3.37Å; D321-A325 WeakPolarHBondContact O-CB 3.37Å
322	L	95.4	Very high	96.4	Very high	51 Å²	51	35.9 Å²	35.9	27%	0.267	20%	0.201	S	C	.	.	I	π-helix	trans	-90.8	-21.4	-171.3	-54.6	177.6	0	0	0	112.2	L260 L263 Q318 E402	L260-L322 HydrophobicContact CD1-CD1 3.96Å; L263-L322 HydrophobicContact CD2-CB 3.65Å; L263-L322 HydrophobicContact CD2-CD1 4.07Å; L263-L322 HydrophobicContact CD2-CG 4.44Å; Q318-L322 HydrophobicContact CB-CD1 4.32Å; Q318-L322 HydrophobicContact CG-CD1 4.4Å; Q318-L322 VanDerWaalsContact O-CB 3.23Å; Q318-L322 WeakPolarHBondContact O-CB 3.43Å; Q318-L322 WeakPolarHBondContact O-CG 3.36Å; Q318-L322 PolarHBondContact O-N 3.43Å; L322-E402 HydrophobicContact CD1-CB 4.33Å; L322-E402 HydrophobicContact CD2-CG 4.31Å
323	L	96.4	Very high	96.4	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.016	20%	0.203	C	C	.	.	I	π-helix	trans	-113.4	-69.3	179.4	172.5	56.6	0	0	0	112.2	L263 L267 H319 A325 N326 N329 I331 Y333	L263-L323 HydrophobicContact CD1-CB 3.88Å; L263-L323 HydrophobicContact CD1-CD2 3.82Å; L263-L323 HydrophobicContact CD1-CG 4.46Å; L267-L323 HydrophobicContact CD2-CD1 3.86Å; H319-L323 WeakPolarHBondContact O-CB 3.5Å; H319-L323 PolarHBondContact O-N 2.99Å; L323-A325 VanDerWaalsContact C-N 3.26Å; L323-A325 PolarHBondContact O-N 2.89Å; L323-N326 WeakPolarHBondContact O-CB 3.33Å; L323-N326 PolarHBondContact O-N 3.31Å; L323-N326 VanDerWaalsContact O-N 3.17Å; L323-N329 WeakPolarHBondContact CD1-OD1 3.34Å; L323-N329 WeakPolarHBondContact O-CB 3.41Å; L323-I331 HydrophobicContact CD1-CB 4.05Å; L323-I331 HydrophobicContact CD1-CD1 4.1Å; L323-I331 HydrophobicContact CD1-CG2 4.39Å; L323-Y333 HydrophobicContact CD2-CD1 4.44Å; L323-Y333 HydrophobicContact CD2-CD2 3.69Å; L323-Y333 HydrophobicContact CD2-CE2 4.39Å; L323-Y333 HydrophobicContact CD2-CG 3.7Å
324	L	96.2	Very high	96.3	Very high	50 Å²	50	39 Å²	39	26%	0.262	22%	0.219	S	C	.	.	I	π-helix	trans	-66.2	-32	-171.9	-64.2	175.6	0	0	0	112.5	F37 H319 Q320 Y333	F37-L324 HydrophobicContact CD1-CD1 3.44Å; F37-L324 VanDerWaalsContact CD1-CD1 3.44Å; F37-L324 HydrophobicContact CE1-CD1 3.29Å; F37-L324 HydrophobicContact CG-CD1 4.22Å; F37-L324 HydrophobicContact CZ-CD1 3.95Å; H319-L324 PolarHBondContact O-N 2.95Å; Q320-L324 PolarHBondContact O-N 3.14Å; L324-Y333 WeakPolarHBondContact CD2-O 3.17Å
325	A	93.4	Very high	96.3	Very high	12 Å²	12	39.8 Å²	39.8	10%	0.099	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-7.5	179.8	0	0	0	0	0	114.4	R32 Q320 D321 L323 P327	R32-A325 VanDerWaalsContact NH1-C 3.28Å; R32-A325 PolarHBondContact NH1-O 3.21Å; Q320-A325 WeakPolarHBondContact O-CA 3.37Å; Q320-A325 WeakPolarHBondContact O-CB 3.45Å; Q320-A325 PolarHBondContact O-N 3.43Å; D321-A325 WeakPolarHBondContact O-CB 3.37Å; L323-A325 VanDerWaalsContact C-N 3.26Å; L323-A325 PolarHBondContact O-N 2.89Å; A325-P327 WeakPolarHBondContact O-CD 3.42Å
326	N	93.8	Very high	96.3	Very high	68 Å²	68	39.8 Å²	39.8	36%	0.364	22%	0.223	S	C	.	.			trans	-72.2	121.2	-178.8	-178.3	-14	0	0	0	110	L323 N328 N329	L323-N326 WeakPolarHBondContact O-CB 3.33Å; L323-N326 PolarHBondContact O-N 3.31Å; L323-N326 VanDerWaalsContact O-N 3.17Å; N326-N328 PolarHBondContact O-N 2.82Å; N326-N328 VanDerWaalsContact O-N 3.13Å; N326-N328 PolarHBondContact OD1-N 3.11Å; N326-N329 HydrophobicContact CB-CB 4.26Å; N326-N329 WeakPolarHBondContact O-CB 3.29Å; N326-N329 PolarHBondContact O-N 2.85Å
327	P	92.4	Very high	96.3	Very high	123 Å²	123	39.8 Å²	39.8	80%	0.799	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.9	-179.1	26.8	-35.8	0	0	0	113.6	A325	A325-P327 WeakPolarHBondContact O-CD 3.42Å
328	N	94.2	Very high	96.4	Very high	136 Å²	136	38.9 Å²	38.9	73%	0.727	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	10.2	176.6	-61.1	-38.4	0	0	0	112.8	N326 T330	N326-N328 PolarHBondContact O-N 2.82Å; N326-N328 VanDerWaalsContact O-N 3.13Å; N326-N328 PolarHBondContact OD1-N 3.11Å; N328-T330 PolarHBondContact O-N 2.84Å
329	N	94.8	Very high	96.5	Very high	54 Å²	54	38.8 Å²	38.8	29%	0.289	22%	0.219	S	C	.	.			trans	-62.8	127.5	-179.4	-179.5	27.7	0	0	0	111.6	L323 N326 I331	L323-N329 WeakPolarHBondContact CD1-OD1 3.34Å; L323-N329 WeakPolarHBondContact O-CB 3.41Å; N326-N329 HydrophobicContact CB-CB 4.26Å; N326-N329 WeakPolarHBondContact O-CB 3.29Å; N326-N329 PolarHBondContact O-N 2.85Å; N329-I331 PolarHBondContact ND2-O 3Å; N329-I331 WeakPolarHBondContact OD1-CB 3.36Å; N329-I331 PolarHBondContact OD1-N 3.17Å; N329-I331 PolarHBondContact OD1-O 3.43Å
330	T	95.3	Very high	96.5	Very high	81 Å²	81	39 Å²	39	50%	0.497	22%	0.22	S	C	.	.			trans	-109	0.2	174	60.4	0	0	0	0	113.2	Q274 N328	Q274-T330 PolarHBondContact NE2-O 2.91Å; Q274-T330 PolarHBondContact OE1-OG1 3.49Å; N328-T330 PolarHBondContact O-N 2.84Å
331	I	97.3	Very high	96.6	Very high	14 Å²	14	38.8 Å²	38.8	7%	0.072	22%	0.219	C	C	.	.			trans	-101.1	122.8	-173.1	-60.7	174.1	0	0	0	108.9	L267 V270 I285 L323 N329 Y333	L267-I331 HydrophobicContact CD2-CD1 3.64Å; V270-I331 HydrophobicContact CB-CD1 3.98Å; V270-I331 HydrophobicContact CB-CG1 4.33Å; V270-I331 HydrophobicContact CG1-CB 4.47Å; V270-I331 HydrophobicContact CG1-CD1 3.98Å; V270-I331 HydrophobicContact CG1-CG1 3.76Å; V270-I331 HydrophobicContact CG1-CG2 4.12Å; I285-I331 HydrophobicContact CB-CG2 4.27Å; I285-I331 HydrophobicContact CG1-CG2 3.94Å; L323-I331 HydrophobicContact CD1-CB 4.05Å; L323-I331 HydrophobicContact CD1-CD1 4.1Å; L323-I331 HydrophobicContact CD1-CG2 4.39Å; N329-I331 PolarHBondContact ND2-O 3Å; N329-I331 WeakPolarHBondContact OD1-CB 3.36Å; N329-I331 PolarHBondContact OD1-N 3.17Å; N329-I331 PolarHBondContact OD1-O 3.43Å; I331-Y333 PolarHBondContact O-N 3.4Å
332	N	97.3	Very high	96.9	Very high	67 Å²	67	36.2 Å²	36.2	36%	0.358	21%	0.205	S	C	.	.			trans	-79.8	59.5	173	-171.2	11.6	0	0	0	111.6	S282 P284 I285 T334	S282-N332 PolarHBondContact O-ND2 2.73Å; P284-N332 CarbonylContact C-O 3.51Å; P284-N332 VanDerWaalsContact CA-O 3.29Å; P284-N332 WeakPolarHBondContact CA-O 3.24Å; I285-N332 PolarHBondContact N-O 3.31Å; N332-T334 PolarHBondContact O-N 3.43Å; N332-T334 PolarHBondContact O-OG1 3.4Å; N332-T334 VanDerWaalsContact O-OG1 3.06Å; N332-T334 PolarHBondContact OD1-OG1 3.44Å
333	Y	98.5	Very high	97	Very high	11 Å²	11	33.8 Å²	33.8	4%	0.043	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	123.3	-178.9	-165.3	-83.6	0	0	0	110.5	F37 E266 I285 N287 H319 L323 L324 I331 L336	F37-Y333 HydrophobicContact CD2-CD1 4.49Å; F37-Y333 HydrophobicContact CD2-CE1 4.07Å; F37-Y333 HydrophobicContact CE2-CE1 4.36Å; E266-Y333 WeakPolarHBondContact OE1-CE2 3.34Å; E266-Y333 PolarHBondContact OE1-OH 2.96Å; I285-Y333 HydrophobicContact CB-CD2 4.44Å; I285-Y333 HydrophobicContact CG2-CD2 4.19Å; N287-Y333 HydrophobicContact CB-CE2 4.4Å; N287-Y333 WeakPolarHBondContact CB-OH 3.4Å; H319-Y333 AromaticContact CD2-CE1 3.9Å; H319-Y333 AromaticContact CD2-CZ 3.57Å; H319-Y333 PolarHBondContact CD2-OH 2.89Å; H319-Y333 PolarHBondContact NE2-OH 3.26Å; L323-Y333 HydrophobicContact CD2-CD1 4.44Å; L323-Y333 HydrophobicContact CD2-CD2 3.69Å; L323-Y333 HydrophobicContact CD2-CE2 4.39Å; L323-Y333 HydrophobicContact CD2-CG 3.7Å; L324-Y333 WeakPolarHBondContact CD2-O 3.17Å; I331-Y333 PolarHBondContact O-N 3.4Å; Y333-L336 HydrophobicContact CE1-CB 4.11Å
334	T	98.3	Very high	97.1	Very high	54 Å²	54	33.7 Å²	33.7	33%	0.331	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	-26.8	-165.2	-63.5	0	0	0	0	113.6	F37 I285 Y286 N332	F37-T334 WeakPolarHBondContact CB-O 3.21Å; I285-T334 PolarHBondContact O-N 3.14Å; Y286-T334 HydrophobicContact CD1-CG2 4.48Å; Y286-T334 HydrophobicContact CE1-CG2 3.67Å; N332-T334 PolarHBondContact O-N 3.43Å; N332-T334 PolarHBondContact O-OG1 3.4Å; N332-T334 VanDerWaalsContact O-OG1 3.06Å; N332-T334 PolarHBondContact OD1-OG1 3.44Å
335	L	98.8	Very high	97.3	Very high	18 Å²	18	35.1 Å²	35.1	9%	0.094	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	135.2	-176.5	-172.3	147.9	0	0	0	111.5	F37 Y286 N287 D288	F37-L335 CarbonylContact O-C 3.56Å; F37-L335 WeakPolarHBondContact O-CA 3.32Å; Y286-L335 WeakPolarHBondContact CA-O 3.18Å; Y286-L335 HydrophobicContact CD1-CB 3.5Å; Y286-L335 HydrophobicContact CD2-CB 3.99Å; Y286-L335 HydrophobicContact CD2-CD1 4.16Å; Y286-L335 HydrophobicContact CD2-CD2 4.36Å; Y286-L335 HydrophobicContact CD2-CG 4.41Å; Y286-L335 HydrophobicContact CE1-CB 3.9Å; Y286-L335 HydrophobicContact CE2-CB 4.3Å; Y286-L335 HydrophobicContact CE2-CD1 4.08Å; Y286-L335 HydrophobicContact CG-CB 3.59Å; Y286-L335 HydrophobicContact CG-CD2 4.37Å; Y286-L335 HydrophobicContact CG-CG 4.39Å; N287-L335 PolarHBondContact N-O 3.49Å; D288-L335 HydrophobicContact CB-CD2 4.26Å
336	L	98.9	Very high	97.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.8	167.5	-172.4	155.5	0	0	0	107.6	F37 W38 N287 A290 I315 Y333 N338	F37-L336 HydrophobicContact CD2-CB 3.75Å; F37-L336 HydrophobicContact CE2-CB 4.06Å; F37-L336 HydrophobicContact CE2-CD1 4.18Å; F37-L336 PolarHBondContact O-N 2.84Å; W38-L336 CarbonylContact C-O 3.52Å; W38-L336 WeakPolarHBondContact CA-O 3.36Å; N287-L336 CarbonylContact O-C 3.57Å; N287-L336 WeakPolarHBondContact O-CA 3.41Å; A290-L336 HydrophobicContact CB-CD1 4.17Å; A290-L336 HydrophobicContact CB-CD2 3.85Å; A290-L336 HydrophobicContact CB-CG 3.59Å; I315-L336 HydrophobicContact CG2-CD1 3.93Å; Y333-L336 HydrophobicContact CE1-CB 4.11Å; L336-N338 WeakPolarHBondContact CD2-ND2 3.42Å
337	S	98.9	Very high	97.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.3	175.6	-173.9	0	0	0	0	109.7	S40 T41 N287 D288 A290	S40-S337 VanDerWaalsContact C-OG 3.27Å; S40-S337 WeakPolarHBondContact CB-OG 3.44Å; S40-S337 PolarHBondContact O-OG 2.97Å; S40-S337 VanDerWaalsContact OG-CB 3.28Å; S40-S337 WeakPolarHBondContact OG-CB 3.26Å; S40-S337 PolarHBondContact OG-OG 2.87Å; T41-S337 PolarHBondContact N-OG 2.93Å; N287-S337 PolarHBondContact O-N 3.16Å; D288-S337 WeakPolarHBondContact O-CB 3.19Å; D288-S337 PolarHBondContact O-OG 3.12Å; A290-S337 PolarHBondContact N-O 2.99Å
338	N	98.9	Very high	98	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	117.6	165.6	-78.3	-102.3	0	0	0	107.5	S40 T41 L336 N340	S40-N338 PolarHBondContact O-N 3.15Å; T41-N338 VanDerWaalsContact CA-O 3.28Å; T41-N338 WeakPolarHBondContact CA-O 3.34Å; T41-N338 PolarHBondContact OG1-O 2.85Å; L336-N338 WeakPolarHBondContact CD2-ND2 3.42Å; N338-N340 VanDerWaalsContact C-N 3.29Å; N338-N340 WeakPolarHBondContact CB-ND2 3.46Å; N338-N340 PolarHBondContact O-N 2.84Å; N338-N340 PolarHBondContact O-OD1 2.81Å
339	D	98.8	Very high	98.2	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	17%	0.168	C	C	.	.			trans	-83.3	76.5	-173.3	-179.5	51.2	0	0	0	109.8	G42 F43 E289 D291 F342 R353	G42-D339 WeakPolarHBondContact CA-OD1 3.07Å; G42-D339 VanDerWaalsContact O-OD1 3.07Å; F43-D339 PolarHBondContact N-OD1 3.48Å; E289-D339 HydrophobicContact CB-CB 4.11Å; E289-D339 HydrophobicContact CG-CB 3.97Å; D291-D339 PolarHBondContact OD1-N 2.88Å; D339-F342 VanDerWaalsContact O-CE2 3.29Å; D339-F342 WeakPolarHBondContact O-CE2 3.43Å; D339-F342 WeakPolarHBondContact OD2-CE2 3.17Å; D339-F342 WeakPolarHBondContact OD2-CZ 3.44Å; D339-R353 PolarHBondContact O-NE 3.08Å; D339-R353 PolarHBondContact O-NH2 2.88Å; D339-R353 IonicContact OD2-NH2 3.29Å; D339-R353 PolarHBondContact OD2-NH2 2.79Å
340	N	98.9	Very high	98.4	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.027	15%	0.154	C	C	.	.			trans	-137.4	17	-164.5	64.8	6.2	0	0	0	114.4	T41 G42 Y308 N338 F342 R353 T354 L355	T41-N340 PolarHBondContact OG1-N 2.84Å; T41-N340 PolarHBondContact OG1-OD1 2.84Å; G42-N340 PolarHBondContact O-N 3.06Å; Y308-N340 PolarHBondContact OH-ND2 3.32Å; N338-N340 VanDerWaalsContact C-N 3.29Å; N338-N340 WeakPolarHBondContact CB-ND2 3.46Å; N338-N340 PolarHBondContact O-N 2.84Å; N338-N340 PolarHBondContact O-OD1 2.81Å; N340-F342 PolarHBondContact O-N 3.29Å; N340-R353 WeakPolarHBondContact CA-O 3.34Å; N340-R353 HydrophobicContact CB-CG 4Å; N340-T354 CarbonylContact O-C 3.6Å; N340-T354 VanDerWaalsContact O-C 3.3Å; N340-T354 WeakPolarHBondContact O-CA 3.32Å; N340-L355 HydrophobicContact CB-CG 4.47Å; N340-L355 WeakPolarHBondContact O-CG 3.28Å; N340-L355 PolarHBondContact O-N 3.35Å; N340-L355 WeakPolarHBondContact OD1-CD1 3.36Å; N340-L355 WeakPolarHBondContact OD1-CD2 3.5Å; N340-L355 VanDerWaalsContact OD1-CG 3.25Å; N340-L355 WeakPolarHBondContact OD1-CG 3.28Å
341	A	98.9	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-83.9	12.6	172.5	0	0	0	0	0	113.2	T41 G42 F43 N64 V68 L355	T41-A341 HydrophobicContact CG2-CB 3.72Å; T41-A341 WeakPolarHBondContact OG1-CB 3.49Å; T41-A341 PolarHBondContact OG1-N 2.99Å; T41-A341 VanDerWaalsContact OG1-N 3.13Å; G42-A341 WeakPolarHBondContact O-CA 3.45Å; G42-A341 WeakPolarHBondContact O-CB 2.99Å; G42-A341 PolarHBondContact O-N 3.32Å; F43-A341 HydrophobicContact CB-CB 4.35Å; F43-A341 HydrophobicContact CD1-CB 4.12Å; N64-A341 PolarHBondContact ND2-O 3.45Å; V68-A341 HydrophobicContact CG2-CB 4.44Å; A341-L355 HydrophobicContact CB-CD1 4.4Å
342	F	98.9	Very high	98.7	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.026	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-60.1	151.7	172.2	-63	-88.1	0	0	0	112.4	F43 C44 W296 D339 N340 T354	F43-F342 HydrophobicContact CB-CD1 3.98Å; F43-F342 HydrophobicContact CB-CD2 4.44Å; F43-F342 HydrophobicContact CB-CE1 4.19Å; F43-F342 HydrophobicContact CB-CG 4.11Å; F43-F342 HydrophobicContact CB-CZ 4.48Å; C44-F342 HydrophobicContact CB-CE1 3.94Å; C44-F342 HydrophobicContact CB-CZ 4.46Å; W296-F342 HydrophobicContact CB-CD2 3.85Å; W296-F342 HydrophobicContact CB-CE2 3.77Å; W296-F342 HydrophobicContact CB-CG 4.43Å; W296-F342 HydrophobicContact CB-CZ 4.28Å; W296-F342 AromaticContact CD1-CD1 3.98Å; W296-F342 AromaticContact CD1-CE1 3.54Å; W296-F342 AromaticContact CD1-CE2 3.91Å; W296-F342 AromaticContact CD1-CZ 3.52Å; W296-F342 HydrophobicContact CD2-CB 3.96Å; W296-F342 AromaticContact CD2-CD1 3.57Å; W296-F342 HydrophobicContact CD2-CD1 3.57Å; W296-F342 AromaticContact CD2-CD2 3.87Å; W296-F342 HydrophobicContact CD2-CD2 3.87Å; W296-F342 AromaticContact CD2-CE1 3.97Å; W296-F342 HydrophobicContact CD2-CE1 3.97Å; W296-F342 HydrophobicContact CD2-CE2 4.24Å; W296-F342 AromaticContact CD2-CG 3.52Å; W296-F342 HydrophobicContact CD2-CG 3.52Å; W296-F342 HydrophobicContact CD2-CZ 4.3Å; W296-F342 AromaticContact CE2-CD1 3.39Å; W296-F342 AromaticContact CE2-CE1 3.67Å; W296-F342 AromaticContact CE2-CG 3.87Å; W296-F342 HydrophobicContact CE3-CB 3.52Å; W296-F342 HydrophobicContact CE3-CD1 4.04Å; W296-F342 HydrophobicContact CE3-CD2 4.11Å; W296-F342 AromaticContact CE3-CG 3.63Å; W296-F342 HydrophobicContact CE3-CG 3.63Å; W296-F342 AromaticContact CG-CD1 3.97Å; W296-F342 HydrophobicContact CG-CD1 3.97Å; W296-F342 AromaticContact CG-CD2 3.76Å; W296-F342 HydrophobicContact CG-CD2 3.76Å; W296-F342 AromaticContact CG-CE1 3.91Å; W296-F342 HydrophobicContact CG-CE1 3.91Å; W296-F342 AromaticContact CG-CE2 3.71Å; W296-F342 HydrophobicContact CG-CE2 3.71Å; W296-F342 AromaticContact CG-CG 3.9Å; W296-F342 HydrophobicContact CG-CG 3.9Å; W296-F342 AromaticContact CG-CZ 3.8Å; W296-F342 HydrophobicContact CG-CZ 3.8Å; W296-F342 HydrophobicContact CH2-CB 4.03Å; W296-F342 HydrophobicContact CH2-CD1 4.14Å; W296-F342 HydrophobicContact CH2-CG 4.34Å; W296-F342 HydrophobicContact CZ2-CB 4.44Å; W296-F342 AromaticContact CZ2-CD1 3.7Å; W296-F342 HydrophobicContact CZ2-CD1 3.7Å; W296-F342 HydrophobicContact CZ2-CE1 4.29Å; W296-F342 HydrophobicContact CZ2-CG 4.27Å; W296-F342 HydrophobicContact CZ3-CB 3.57Å; W296-F342 HydrophobicContact CZ3-CD1 4.31Å; W296-F342 HydrophobicContact CZ3-CG 4.06Å; W296-F342 AromaticContact NE1-CD1 3.66Å; W296-F342 AromaticContact NE1-CE1 3.39Å; W296-F342 AromaticContact NE1-CZ 3.9Å; D339-F342 VanDerWaalsContact O-CE2 3.29Å; D339-F342 WeakPolarHBondContact O-CE2 3.43Å; D339-F342 WeakPolarHBondContact OD2-CE2 3.17Å; D339-F342 WeakPolarHBondContact OD2-CZ 3.44Å; N340-F342 PolarHBondContact O-N 3.29Å; F342-T354 HydrophobicContact CB-CG2 4.11Å; F342-T354 WeakPolarHBondContact O-CB 3.35Å; F342-T354 WeakPolarHBondContact O-CG2 3.42Å
343	L	98.9	Very high	98.7	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-88.6	125.1	167.3	-73.1	172.4	0	0	0	110.3	F55 D60 N64 L371	F55-L343 HydrophobicContact CE2-CB 4.26Å; F55-L343 HydrophobicContact CE2-CD1 3.78Å; F55-L343 HydrophobicContact CE2-CG 4.5Å; F55-L343 HydrophobicContact CZ-CB 4.09Å; F55-L343 HydrophobicContact CZ-CD1 3.73Å; F55-L343 HydrophobicContact CZ-CG 4.14Å; D60-L343 HydrophobicContact CB-CD1 3.47Å; D60-L343 VanDerWaalsContact CB-CD1 3.47Å; D60-L343 HydrophobicContact CB-CD2 4.42Å; N64-L343 HydrophobicContact CB-CD2 3.77Å; N64-L343 HydrophobicContact CB-CG 4.49Å; L343-L371 HydrophobicContact CD2-CD2 4.25Å
344	S	98.9	Very high	98.8	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.007	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-68.6	153.2	-179.7	62.3	0	0	0	0	112.5	P349 R358	S344-P349 WeakPolarHBondContact CB-O 3.22Å; S344-P349 PolarHBondContact OG-O 3.47Å; S344-P349 VanDerWaalsContact OG-O 3.05Å; S344-R358 VanDerWaalsContact O-CZ 3.28Å; S344-R358 PolarHBondContact O-NE 3.49Å; S344-R358 PolarHBondContact O-NH2 3.24Å; S344-R358 WeakPolarHBondContact OG-CB 3.37Å; S344-R358 PolarHBondContact OG-N 2.91Å
345	Y	98.8	Very high	98.8	Very high	80 Å²	80	19.8 Å²	19.8	31%	0.314	10%	0.097	S	C	.	.			trans	-112.4	149.1	176.9	-71.5	-80.3	0	0	0	111.9	W296 H348	W296-Y345 AromaticContact CH2-CD2 3.76Å; W296-Y345 HydrophobicContact CH2-CD2 3.76Å; W296-Y345 AromaticContact CH2-CE2 3.72Å; W296-Y345 HydrophobicContact CH2-CE2 3.72Å; W296-Y345 HydrophobicContact CZ2-CE2 4.3Å; Y345-H348 CarbonylContact O-C 3.59Å; Y345-H348 WeakPolarHBondContact O-CA 3.25Å; Y345-H348 PolarHBondContact O-N 3.49Å
346	H	98.1	Very high	98.8	Very high	128 Å²	128	19 Å²	19	59%	0.593	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	141.7	166.7	171.6	89.4	0	0	0	110.2	D483	H346-D483 IonicContact CE1-OD1 2.81Å; H346-D483 PolarHBondContact CE1-OD1 2.78Å; H346-D483 IonicContact ND1-OD1 3Å; H346-D483 PolarHBondContact ND1-OD1 2.61Å
347	P	98.3	Very high	98.8	Very high	71 Å²	71	19 Å²	19	46%	0.461	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	cis	-93.5	23.9	4.2	37.1	-34.9	0	0	0	114.2	P349	P347-P349 VanDerWaalsContact O-CD 3.24Å; P347-P349 WeakPolarHBondContact O-CD 3.19Å
348	H	98.7	Very high	98.8	Very high	66 Å²	66	19.7 Å²	19.7	31%	0.306	10%	0.096	S	C	.	.			trans	-121.7	59.3	-169.1	-58.5	-49.1	0	0	0	112.9	P299 Y345 F350 T351 Q352	P299-H348 HydrophobicContact CB-CB 4.4Å; Y345-H348 CarbonylContact O-C 3.59Å; Y345-H348 WeakPolarHBondContact O-CA 3.25Å; Y345-H348 PolarHBondContact O-N 3.49Å; H348-F350 PolarHBondContact O-N 3.1Å; H348-T351 WeakPolarHBondContact CB-OG1 3.36Å; H348-Q352 HydrophobicContact CB-CG 4Å
349	P	98.6	Very high	98.8	Very high	10 Å²	10	19.9 Å²	19.9	7%	0.065	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-33	-176.2	25.3	-34.3	0	0	0	112.9	S344 P347 A357 F359 W476	S344-P349 WeakPolarHBondContact CB-O 3.22Å; S344-P349 PolarHBondContact OG-O 3.47Å; S344-P349 VanDerWaalsContact OG-O 3.05Å; P347-P349 VanDerWaalsContact O-CD 3.24Å; P347-P349 WeakPolarHBondContact O-CD 3.19Å; P349-A357 HydrophobicContact CB-CB 4.46Å; P349-A357 WeakPolarHBondContact O-CA 3.24Å; P349-A357 WeakPolarHBondContact O-CB 3.26Å; P349-F359 HydrophobicContact CB-CE1 4.09Å; P349-F359 HydrophobicContact CB-CE2 4.14Å; P349-F359 HydrophobicContact CB-CZ 3.83Å; P349-F359 HydrophobicContact CG-CE1 3.99Å; P349-F359 HydrophobicContact CG-CZ 3.93Å; P349-W476 HydrophobicContact CG-CH2 4.12Å; P349-W476 HydrophobicContact CG-CZ2 4.04Å
350	F	98.9	Very high	98.8	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-33.9	-176.2	-74.4	-77.8	0	0	0	114.5	A304 H348 Q352 A357 F359 V372 K374 P472 H473 W476	A304-F350 WeakPolarHBondContact CA-O 3.45Å; A304-F350 HydrophobicContact CB-CB 3.77Å; H348-F350 PolarHBondContact O-N 3.1Å; F350-Q352 VanDerWaalsContact C-N 3.3Å; F350-Q352 PolarHBondContact O-N 3.5Å; F350-A357 HydrophobicContact CD1-CB 3.45Å; F350-A357 VanDerWaalsContact CD1-CB 3.45Å; F350-A357 HydrophobicContact CD2-CB 4.32Å; F350-A357 HydrophobicContact CE1-CB 3.36Å; F350-A357 HydrophobicContact CE2-CB 4.29Å; F350-A357 HydrophobicContact CG-CB 3.93Å; F350-A357 HydrophobicContact CZ-CB 3.82Å; F350-F359 HydrophobicContact CD2-CZ 4.38Å; F350-F359 HydrophobicContact CE2-CE2 4.07Å; F350-F359 AromaticContact CE2-CZ 3.67Å; F350-F359 HydrophobicContact CE2-CZ 3.67Å; F350-F359 HydrophobicContact CZ-CE2 4.2Å; F350-F359 HydrophobicContact CZ-CZ 4.22Å; F350-V372 HydrophobicContact CE1-CG1 4.28Å; F350-V372 HydrophobicContact CZ-CG1 4.27Å; F350-K374 HydrophobicContact CD1-CD 4.45Å; F350-K374 HydrophobicContact CD1-CG 4.08Å; F350-K374 HydrophobicContact CE1-CG 4.4Å; F350-K374 WeakPolarHBondContact O-CE 3.44Å; F350-K374 PolarHBondContact O-NZ 2.94Å; F350-P472 HydrophobicContact CE1-CB 3.86Å; F350-P472 HydrophobicContact CZ-CB 3.97Å; F350-H473 HydrophobicContact CB-CB 3.94Å; F350-H473 VanDerWaalsContact CB-CD2 3.48Å; F350-H473 WeakPolarHBondContact CB-CD2 3.14Å; F350-H473 HydrophobicContact CD1-CB 3.83Å; F350-H473 HydrophobicContact CD2-CB 4.07Å; F350-H473 AromaticContact CD2-CD2 3.61Å; F350-H473 HydrophobicContact CE1-CB 4.36Å; F350-H473 HydrophobicContact CG-CB 3.69Å; F350-H473 AromaticContact CG-CD2 3.69Å; F350-H473 AromaticContact CG-CG 3.95Å; F350-W476 HydrophobicContact CD2-CD2 4.25Å; F350-W476 HydrophobicContact CD2-CE3 4.02Å; F350-W476 HydrophobicContact CE2-CB 3.8Å; F350-W476 HydrophobicContact CE2-CD2 4.07Å; F350-W476 HydrophobicContact CE2-CE3 4.26Å; F350-W476 AromaticContact CE2-CG 3.9Å; F350-W476 HydrophobicContact CE2-CG 3.9Å
351	T	98.9	Very high	98.8	Very high	6 Å²	6	23 Å²	23	4%	0.037	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	2.4	-165	54.7	0	0	0	0	114.3	P299 Q300 A304 H348	P299-T351 CarbonylContact C-O 3.6Å; P299-T351 WeakPolarHBondContact CA-O 3.26Å; P299-T351 WeakPolarHBondContact CB-OG1 3.46Å; Q300-T351 PolarHBondContact N-O 2.85Å; Q300-T351 WeakPolarHBondContact O-CA 3.35Å; Q300-T351 WeakPolarHBondContact O-CB 3.47Å; A304-T351 HydrophobicContact CB-CG2 4.19Å; H348-T351 WeakPolarHBondContact CB-OG1 3.36Å
352	Q	98.9	Very high	98.8	Very high	10 Å²	10	27.5 Å²	27.5	5%	0.047	14%	0.135	C	C	.	.	S	Bend	trans	-87.8	162.2	170.3	-64.7	-175.9	-37.5	0	0	111.3	W296 S297 H348 F350 T354 K374	W296-Q352 HydrophobicContact CE3-CB 4.42Å; W296-Q352 HydrophobicContact CZ3-CB 4.45Å; S297-Q352 WeakPolarHBondContact O-CG 3.23Å; S297-Q352 PolarHBondContact O-NE2 3.25Å; H348-Q352 HydrophobicContact CB-CG 4Å; F350-Q352 VanDerWaalsContact C-N 3.3Å; F350-Q352 PolarHBondContact O-N 3.5Å; Q352-T354 VanDerWaalsContact C-N 3.26Å; Q352-T354 HydrophobicContact CB-CG2 4.06Å; Q352-T354 PolarHBondContact O-N 3.42Å; Q352-K374 PolarHBondContact O-NZ 3.48Å
353	R	98.9	Very high	98.7	Very high	5 Å²	5	32.1 Å²	32.1	2%	0.019	16%	0.16	C	C	.	.	S	Bend	trans	-78.8	77.7	-179.8	-167.7	-176	67.4	-163	13.3	110.2	D291 L293 W296 Y308 D339 N340	D291-R353 IonicContact OD1-CZ 3.51Å; D291-R353 VanDerWaalsContact OD1-CZ 3.29Å; D291-R353 IonicContact OD1-NE 3.18Å; D291-R353 PolarHBondContact OD1-NE 3.18Å; D291-R353 IonicContact OD1-NH1 3.59Å; D291-R353 IonicContact OD1-NH2 2.64Å; D291-R353 IonicContact OD2-CZ 2.8Å; D291-R353 IonicContact OD2-NE 3.19Å; D291-R353 IonicContact OD2-NH1 2.9Å; D291-R353 PolarHBondContact OD2-NH1 3.18Å; D291-R353 IonicContact OD2-NH2 3.55Å; D291-R353 PolarHBondContact OD2-NH2 2.87Å; L293-R353 PolarHBondContact O-NH1 3.4Å; L293-R353 VanDerWaalsContact O-NH1 3.11Å; W296-R353 HydrophobicContact CB-CB 4.07Å; W296-R353 PolarHBondContact O-N 3.05Å; Y308-R353 HydrophobicContact CE1-CG 4.16Å; D339-R353 PolarHBondContact O-NE 3.08Å; D339-R353 PolarHBondContact O-NH2 2.88Å; D339-R353 IonicContact OD2-NH2 3.29Å; D339-R353 PolarHBondContact OD2-NH2 2.79Å; N340-R353 WeakPolarHBondContact CA-O 3.34Å; N340-R353 HydrophobicContact CB-CG 4Å
354	T	98.9	Very high	98.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-130	150.8	-176.5	62.7	0	0	0	0	111.3	W296 N340 F342 Q352 T356 K374	W296-T354 HydrophobicContact CZ3-CG2 4.44Å; N340-T354 CarbonylContact O-C 3.6Å; N340-T354 VanDerWaalsContact O-C 3.3Å; N340-T354 WeakPolarHBondContact O-CA 3.32Å; F342-T354 HydrophobicContact CB-CG2 4.11Å; F342-T354 WeakPolarHBondContact O-CB 3.35Å; F342-T354 WeakPolarHBondContact O-CG2 3.42Å; Q352-T354 VanDerWaalsContact C-N 3.26Å; Q352-T354 HydrophobicContact CB-CG2 4.06Å; Q352-T354 PolarHBondContact O-N 3.42Å; T354-T356 WeakPolarHBondContact CB-O 3.19Å; T354-T356 PolarHBondContact OG1-O 3.05Å; T354-K374 WeakPolarHBondContact O-CD 3.43Å; T354-K374 WeakPolarHBondContact O-CE 3.22Å; T354-K374 PolarHBondContact O-NZ 2.88Å; T354-K374 WeakPolarHBondContact OG1-CD 3.39Å; T354-K374 PolarHBondContact OG1-NZ 3.22Å
355	L	98.9	Very high	98.5	Very high	1 Å²	1	46 Å²	46	1%	0.005	22%	0.217	C	C	.	.	S	Bend	trans	-74.4	-31.1	169.9	-71.4	170.1	0	0	0	111.8	T41 V68 I76 N340 A341 K374 V376 L377	T41-L355 HydrophobicContact CG2-CD1 4.22Å; V68-L355 HydrophobicContact CG2-CD1 3.84Å; I76-L355 HydrophobicContact CD1-CD1 4Å; N340-L355 HydrophobicContact CB-CG 4.47Å; N340-L355 WeakPolarHBondContact O-CG 3.28Å; N340-L355 PolarHBondContact O-N 3.35Å; N340-L355 WeakPolarHBondContact OD1-CD1 3.36Å; N340-L355 WeakPolarHBondContact OD1-CD2 3.5Å; N340-L355 VanDerWaalsContact OD1-CG 3.25Å; N340-L355 WeakPolarHBondContact OD1-CG 3.28Å; A341-L355 HydrophobicContact CB-CD1 4.4Å; L355-K374 WeakPolarHBondContact O-CB 3.31Å; L355-K374 PolarHBondContact O-N 3.18Å; L355-K374 VanDerWaalsContact O-N 3.12Å; L355-V376 HydrophobicContact CD2-CG1 4.25Å; L355-L377 HydrophobicContact CB-CB 4.15Å; L355-L377 HydrophobicContact CB-CD1 4.42Å; L355-L377 HydrophobicContact CB-CD2 4.43Å; L355-L377 HydrophobicContact CD1-CD1 4.44Å; L355-L377 HydrophobicContact CD2-CB 4.03Å; L355-L377 HydrophobicContact CD2-CD1 4.13Å; L355-L377 WeakPolarHBondContact O-CB 3.35Å
356	T	98.9	Very high	98.4	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	152.1	-179.3	64.9	0	0	0	0	111.1	N64 Y67 T354 L371 V372 L377	N64-T356 PolarHBondContact OD1-OG1 3.35Å; N64-T356 VanDerWaalsContact OD1-OG1 3.11Å; Y67-T356 HydrophobicContact CD1-CG2 4.11Å; Y67-T356 HydrophobicContact CG-CG2 3.92Å; T354-T356 WeakPolarHBondContact CB-O 3.19Å; T354-T356 PolarHBondContact OG1-O 3.05Å; T356-L371 HydrophobicContact CG2-CD1 4.3Å; T356-V372 CarbonylContact C-O 3.57Å; T356-V372 WeakPolarHBondContact CA-O 3.49Å; T356-L377 HydrophobicContact CG2-CD2 4.12Å
357	A	98.9	Very high	98.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	117.5	169.9	0	0	0	0	0	109.5	P349 F350 F359 L371 V372 K374	P349-A357 HydrophobicContact CB-CB 4.46Å; P349-A357 WeakPolarHBondContact O-CA 3.24Å; P349-A357 WeakPolarHBondContact O-CB 3.26Å; F350-A357 HydrophobicContact CD1-CB 3.45Å; F350-A357 VanDerWaalsContact CD1-CB 3.45Å; F350-A357 HydrophobicContact CD2-CB 4.32Å; F350-A357 HydrophobicContact CE1-CB 3.36Å; F350-A357 HydrophobicContact CE2-CB 4.29Å; F350-A357 HydrophobicContact CG-CB 3.93Å; F350-A357 HydrophobicContact CZ-CB 3.82Å; A357-F359 HydrophobicContact CB-CE2 4.17Å; A357-L371 WeakPolarHBondContact O-CA 3.21Å; A357-V372 HydrophobicContact CB-CB 4.39Å; A357-V372 PolarHBondContact N-O 3.31Å; A357-V372 PolarHBondContact O-N 2.97Å; A357-K374 HydrophobicContact CB-CD 4.25Å; A357-K374 HydrophobicContact CB-CG 4.16Å
358	R	98.9	Very high	98.4	Very high	16 Å²	16	42.4 Å²	42.4	6%	0.06	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	133	-177.2	-177.1	178.7	58.6	172	-5	112	D60 S344 V369 L371	D60-R358 WeakPolarHBondContact OD1-CD 3.27Å; D60-R358 IonicContact OD1-CZ 3.77Å; D60-R358 IonicContact OD1-NE 3.61Å; D60-R358 IonicContact OD1-NH1 2.65Å; D60-R358 PolarHBondContact OD1-NH1 2.88Å; S344-R358 VanDerWaalsContact O-CZ 3.28Å; S344-R358 PolarHBondContact O-NE 3.49Å; S344-R358 PolarHBondContact O-NH2 3.24Å; S344-R358 WeakPolarHBondContact OG-CB 3.37Å; S344-R358 PolarHBondContact OG-N 2.91Å; R358-V369 HydrophobicContact CG-CG1 3.74Å; R358-L371 HydrophobicContact CB-CD2 3.69Å; R358-L371 HydrophobicContact CG-CD2 3.82Å
359	F	98.9	Very high	98.4	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	119.1	171.8	-67.6	-92.8	0	0	0	110.6	P349 F350 A357 V361 V369 Q370 V372 W476 P485 F490	P349-F359 HydrophobicContact CB-CE1 4.09Å; P349-F359 HydrophobicContact CB-CE2 4.14Å; P349-F359 HydrophobicContact CB-CZ 3.83Å; P349-F359 HydrophobicContact CG-CE1 3.99Å; P349-F359 HydrophobicContact CG-CZ 3.93Å; F350-F359 HydrophobicContact CD2-CZ 4.38Å; F350-F359 HydrophobicContact CE2-CE2 4.07Å; F350-F359 AromaticContact CE2-CZ 3.67Å; F350-F359 HydrophobicContact CE2-CZ 3.67Å; F350-F359 HydrophobicContact CZ-CE2 4.2Å; F350-F359 HydrophobicContact CZ-CZ 4.22Å; A357-F359 HydrophobicContact CB-CE2 4.17Å; F359-V361 HydrophobicContact CB-CG2 4.35Å; F359-V369 WeakPolarHBondContact O-CA 3.3Å; F359-Q370 HydrophobicContact CB-CB 4.36Å; F359-Q370 PolarHBondContact N-O 2.87Å; F359-Q370 PolarHBondContact O-N 3.07Å; F359-V372 HydrophobicContact CD2-CG2 4.38Å; F359-V372 HydrophobicContact CE2-CG2 4.15Å; F359-W476 AromaticContact CE1-CD1 3.97Å; F359-W476 AromaticContact CE1-NE1 3.57Å; F359-W476 AromaticContact CZ-CD1 4Å; F359-W476 HydrophobicContact CZ-CG 4.47Å; F359-W476 AromaticContact CZ-NE1 3.98Å; F359-P485 HydrophobicContact CD1-CG 3.76Å; F359-P485 HydrophobicContact CE1-CG 3.85Å; F359-P485 HydrophobicContact CG-CG 4.41Å; F359-F490 HydrophobicContact CB-CE1 4.07Å; F359-F490 HydrophobicContact CB-CZ 3.77Å; F359-F490 AromaticContact CD2-CE1 3.85Å; F359-F490 HydrophobicContact CD2-CE1 3.85Å; F359-F490 HydrophobicContact CD2-CZ 4.4Å; F359-F490 HydrophobicContact CE2-CE1 4.47Å; F359-F490 AromaticContact CG-CE1 3.91Å; F359-F490 HydrophobicContact CG-CE1 3.91Å; F359-F490 AromaticContact CG-CZ 4Å; F359-F490 HydrophobicContact CG-CZ 4Å
360	Q	98.8	Very high	98.4	Very high	71 Å²	71	39.7 Å²	39.7	33%	0.332	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	97.6	173.6	-64	171.3	-54.5	0	0	108.6	N362 V369 F484	Q360-N362 VanDerWaalsContact C-N 3.29Å; Q360-N362 PolarHBondContact O-N 3.48Å; Q360-V369 HydrophobicContact CG-CG2 4.24Å; Q360-F484 WeakPolarHBondContact O-CD1 3.34Å; Q360-F484 VanDerWaalsContact O-CE1 3.26Å; Q360-F484 WeakPolarHBondContact O-CE1 3.42Å
361	V	98.6	Very high	98.4	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.024	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	72.5	-169.9	-169.5	0	0	0	0	110.2	F359 N363 T364 H368 Q370 F484 F490	F359-V361 HydrophobicContact CB-CG2 4.35Å; V361-N363 VanDerWaalsContact C-N 3.26Å; V361-N363 VanDerWaalsContact CG1-OD1 3.29Å; V361-N363 WeakPolarHBondContact CG1-OD1 3.24Å; V361-N363 PolarHBondContact O-N 2.96Å; V361-T364 HydrophobicContact CG1-CG2 4.06Å; V361-T364 PolarHBondContact O-N 3.29Å; V361-T364 PolarHBondContact O-OG1 2.8Å; V361-H368 VanDerWaalsContact CB-CE1 3.5Å; V361-H368 WeakPolarHBondContact CB-CE1 3.39Å; V361-H368 PolarHBondContact N-O 3.4Å; V361-Q370 HydrophobicContact CG2-CG 4.01Å; V361-F484 HydrophobicContact CG1-CB 4.31Å; V361-F490 HydrophobicContact CG2-CE2 3.86Å; V361-F490 HydrophobicContact CG2-CZ 3.9Å
362	N	98.4	Very high	98.4	Very high	93 Å²	93	39.5 Å²	39.5	50%	0.497	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.2	-168	-64.9	-21.4	0	0	0	114.7	Q360 T364 F484	Q360-N362 VanDerWaalsContact C-N 3.29Å; Q360-N362 PolarHBondContact O-N 3.48Å; N362-T364 PolarHBondContact O-N 3.39Å; N362-F484 HydrophobicContact CB-CE1 3.95Å; N362-F484 HydrophobicContact CB-CZ 4.1Å
363	N	98	Very high	98.4	Very high	103 Å²	103	39.3 Å²	39.3	55%	0.551	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	10.2	177.2	67.5	-14.4	0	0	0	113.9	V361 F484	V361-N363 VanDerWaalsContact C-N 3.26Å; V361-N363 VanDerWaalsContact CG1-OD1 3.29Å; V361-N363 WeakPolarHBondContact CG1-OD1 3.24Å; V361-N363 PolarHBondContact O-N 2.96Å; N363-F484 HydrophobicContact CB-CD2 3.91Å; N363-F484 HydrophobicContact CB-CE2 4.37Å; N363-F484 HydrophobicContact CB-CG 4.33Å; N363-F484 WeakPolarHBondContact ND2-CB 3.22Å
364	T	97.6	Very high	98.4	Very high	43 Å²	43	39.1 Å²	39.1	26%	0.264	20%	0.198	S	C	.	.	S	Bend	trans	-106	166.8	175	54.7	0	0	0	0	111.8	V361 N362 P366 H368	V361-T364 HydrophobicContact CG1-CG2 4.06Å; V361-T364 PolarHBondContact O-N 3.29Å; V361-T364 PolarHBondContact O-OG1 2.8Å; N362-T364 PolarHBondContact O-N 3.39Å; T364-P366 CarbonylContact C-O 3.42Å; T364-P366 CarbonylContact O-C 3.58Å; T364-P366 PolarHBondContact OG1-O 2.77Å; T364-P366 VanDerWaalsContact OG1-O 3.11Å; T364-H368 PolarHBondContact OG1-ND1 3.01Å
365	R	95.6	Very high	98.4	Very high	251 Å²	251	39.2 Å²	39.2	95%	0.947	20%	0.198	S	C	*	.	S	Bend	trans	-131.8	109.4	178.2	-66.3	-174.7	-174.2	-169.9	1.2	110.1
366	P	96.3	Very high	98.4	Very high	101 Å²	101	39.2 Å²	39.2	66%	0.656	20%	0.198	S	C	*	.	S	Bend	cis	-65.3	158.6	-8.6	30.9	-35.7	0	0	0	111.9	T364	T364-P366 CarbonylContact C-O 3.42Å; T364-P366 CarbonylContact O-C 3.58Å; T364-P366 PolarHBondContact OG1-O 2.77Å; T364-P366 VanDerWaalsContact OG1-O 3.11Å
367	P	98.2	Very high	98.4	Very high	81 Å²	81	39.2 Å²	39.2	53%	0.526	20%	0.198	S	C	.	.			trans	-51.6	149.4	162.9	-28	37.6	0	0	0	111.4
368	H	98.4	Very high	98.4	Very high	21 Å²	21	39.2 Å²	39.2	10%	0.097	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	169.8	177.4	72.4	-79.4	0	0	0	111.6	V361 T364 Q370 I548	V361-H368 VanDerWaalsContact CB-CE1 3.5Å; V361-H368 WeakPolarHBondContact CB-CE1 3.39Å; V361-H368 PolarHBondContact N-O 3.4Å; T364-H368 PolarHBondContact OG1-ND1 3.01Å; H368-Q370 PolarHBondContact CD2-NE2 3.35Å; H368-Q370 PolarHBondContact NE2-NE2 3.47Å; H368-I548 WeakPolarHBondContact CB-O 3.42Å
369	V	98.7	Very high	98.4	Very high	18 Å²	18	38.4 Å²	38.4	11%	0.109	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.9	-179.5	177.8	0	0	0	0	110.4	D60 R358 F359 Q360 L371 I548	D60-V369 HydrophobicContact CB-CG1 4.42Å; D60-V369 WeakPolarHBondContact OD2-CG2 3.36Å; R358-V369 HydrophobicContact CG-CG1 3.74Å; F359-V369 WeakPolarHBondContact O-CA 3.3Å; Q360-V369 HydrophobicContact CG-CG2 4.24Å; V369-L371 HydrophobicContact CG1-CD2 4.34Å; V369-I548 WeakPolarHBondContact O-CG2 3.25Å
370	Q	98.8	Very high	98.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.8	175.7	-64.6	-89.5	-3.3	0	0	108.6	F359 V361 H368 F490 I548	F359-Q370 HydrophobicContact CB-CB 4.36Å; F359-Q370 PolarHBondContact N-O 2.87Å; F359-Q370 PolarHBondContact O-N 3.07Å; V361-Q370 HydrophobicContact CG2-CG 4.01Å; H368-Q370 PolarHBondContact CD2-NE2 3.35Å; H368-Q370 PolarHBondContact NE2-NE2 3.47Å; Q370-F490 HydrophobicContact CB-CD1 4.23Å; Q370-F490 HydrophobicContact CB-CE1 3.63Å; Q370-F490 HydrophobicContact CB-CE2 4.04Å; Q370-F490 HydrophobicContact CB-CZ 3.52Å; Q370-F490 HydrophobicContact CG-CD2 4.13Å; Q370-F490 HydrophobicContact CG-CE1 4.17Å; Q370-F490 HydrophobicContact CG-CE2 3.65Å; Q370-F490 HydrophobicContact CG-CZ 3.68Å; Q370-I548 VanDerWaalsContact CD-CG2 3.49Å; Q370-I548 HydrophobicContact CG-CG2 4.28Å
371	L	98.9	Very high	98.4	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	146	169.3	-56.6	-173.5	0	0	0	110	L63 N64 Y67 L343 T356 A357 R358 V369 R494	L63-L371 HydrophobicContact CB-CD1 3.66Å; L63-L371 HydrophobicContact CB-CG 4.11Å; N64-L371 VanDerWaalsContact CA-CD1 3.46Å; N64-L371 HydrophobicContact CB-CD1 3.98Å; Y67-L371 HydrophobicContact CD2-CB 4.18Å; Y67-L371 HydrophobicContact CD2-CD1 4.07Å; Y67-L371 HydrophobicContact CE2-CB 3.84Å; Y67-L371 HydrophobicContact CE2-CD1 4.44Å; Y67-L371 PolarHBondContact OH-O 2.91Å; L343-L371 HydrophobicContact CD2-CD2 4.25Å; T356-L371 HydrophobicContact CG2-CD1 4.3Å; A357-L371 WeakPolarHBondContact O-CA 3.21Å; R358-L371 HydrophobicContact CB-CD2 3.69Å; R358-L371 HydrophobicContact CG-CD2 3.82Å; V369-L371 HydrophobicContact CG1-CD2 4.34Å; L371-R494 PolarHBondContact O-NH2 2.93Å
372	V	98.9	Very high	98.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.2	170	176.6	0	0	0	0	107.5	F350 T356 A357 F359 K374 P472 F490 L493 E497	F350-V372 HydrophobicContact CE1-CG1 4.28Å; F350-V372 HydrophobicContact CZ-CG1 4.27Å; T356-V372 CarbonylContact C-O 3.57Å; T356-V372 WeakPolarHBondContact CA-O 3.49Å; A357-V372 HydrophobicContact CB-CB 4.39Å; A357-V372 PolarHBondContact N-O 3.31Å; A357-V372 PolarHBondContact O-N 2.97Å; F359-V372 HydrophobicContact CD2-CG2 4.38Å; F359-V372 HydrophobicContact CE2-CG2 4.15Å; V372-K374 PolarHBondContact O-N 2.75Å; V372-P472 HydrophobicContact CG1-CB 3.74Å; V372-P472 HydrophobicContact CG1-CG 4.16Å; V372-F490 HydrophobicContact CG2-CD1 4.17Å; V372-F490 HydrophobicContact CG2-CE1 4.35Å; V372-L493 HydrophobicContact CG1-CB 4.37Å; V372-L493 HydrophobicContact CG2-CB 4.31Å; V372-L493 HydrophobicContact CG2-CD1 4.36Å; V372-E497 WeakPolarHBondContact CA-OE1 3.35Å; V372-E497 HydrophobicContact CG1-CG 4.17Å; V372-E497 WeakPolarHBondContact CG1-OE1 3.31Å
373	R	98.8	Very high	98.4	Very high	7 Å²	7	30.6 Å²	30.6	3%	0.026	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	128.7	177.8	168.4	157.8	54.9	105.6	-4.7	109.7	Y67 L377 T378 E497 D498 F591	Y67-R373 HydrophobicContact CD1-CB 4.09Å; Y67-R373 HydrophobicContact CE1-CB 4Å; R373-L377 HydrophobicContact CB-CD2 4.32Å; R373-L377 HydrophobicContact CG-CB 4Å; R373-L377 HydrophobicContact CG-CD2 3.83Å; R373-L377 HydrophobicContact CG-CG 4.02Å; R373-T378 PolarHBondContact NH1-OG1 3.31Å; R373-E497 HydrophobicContact CB-CB 4.31Å; R373-E497 HydrophobicContact CB-CG 4.02Å; R373-E497 PolarHBondContact N-OE1 2.66Å; R373-E497 PolarHBondContact NH1-O 3.09Å; R373-D498 IonicContact CZ-OD1 3.97Å; R373-D498 IonicContact NH1-OD1 3.78Å; R373-D498 PolarHBondContact NH1-OD1 2.85Å; R373-D498 VanDerWaalsContact NH1-OD1 3.12Å; R373-D498 VanDerWaalsContact NH2-CG 3.28Å; R373-D498 IonicContact NH2-OD1 3.37Å; R373-D498 PolarHBondContact NH2-OD1 2.96Å; R373-D498 IonicContact NH2-OD2 3.2Å; R373-D498 PolarHBondContact NH2-OD2 3.45Å; R373-F591 VanDerWaalsContact NH1-CD2 3.34Å
374	K	98.9	Very high	98.4	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	13%	0.13	C	C	.	.			trans	-88.9	159.1	175.3	-65.9	171.6	58.6	-166	0	110.8	R303 F350 Q352 T354 L355 A357 V372 V376 L377 T378	R303-K374 WeakPolarHBondContact O-CE 3.36Å; R303-K374 PolarHBondContact O-NZ 2.9Å; F350-K374 HydrophobicContact CD1-CD 4.45Å; F350-K374 HydrophobicContact CD1-CG 4.08Å; F350-K374 HydrophobicContact CE1-CG 4.4Å; F350-K374 WeakPolarHBondContact O-CE 3.44Å; F350-K374 PolarHBondContact O-NZ 2.94Å; Q352-K374 PolarHBondContact O-NZ 3.48Å; T354-K374 WeakPolarHBondContact O-CD 3.43Å; T354-K374 WeakPolarHBondContact O-CE 3.22Å; T354-K374 PolarHBondContact O-NZ 2.88Å; T354-K374 WeakPolarHBondContact OG1-CD 3.39Å; T354-K374 PolarHBondContact OG1-NZ 3.22Å; L355-K374 WeakPolarHBondContact O-CB 3.31Å; L355-K374 PolarHBondContact O-N 3.18Å; L355-K374 VanDerWaalsContact O-N 3.12Å; A357-K374 HydrophobicContact CB-CD 4.25Å; A357-K374 HydrophobicContact CB-CG 4.16Å; V372-K374 PolarHBondContact O-N 2.75Å; K374-V376 HydrophobicContact CB-CG1 4.25Å; K374-V376 PolarHBondContact O-N 2.89Å; K374-V376 VanDerWaalsContact O-N 3.13Å; K374-L377 PolarHBondContact O-N 2.9Å; K374-T378 PolarHBondContact O-N 3.38Å
375	P	98.9	Very high	98.5	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-59.5	-28.8	-177.9	-28.7	39.5	0	0	0	114.5	V306 A309 L377 T378 V379 T470	V306-P375 HydrophobicContact CG2-CB 3.84Å; V306-P375 HydrophobicContact CG2-CG 4.18Å; A309-P375 HydrophobicContact CB-CB 4.12Å; P375-L377 VanDerWaalsContact C-N 3.32Å; P375-L377 PolarHBondContact O-N 2.67Å; P375-T378 WeakPolarHBondContact O-CB 3.41Å; P375-T378 PolarHBondContact O-N 3.48Å; P375-T378 VanDerWaalsContact O-N 3.16Å; P375-V379 PolarHBondContact O-N 3.38Å; P375-T470 HydrophobicContact CG-CG2 4.32Å; P375-T470 WeakPolarHBondContact CG-O 3.38Å
376	V	98.9	Very high	98.6	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.006	8%	0.075	C	C	.	.	H	α-helix	trans	-63	-35.8	174.1	64.9	0	0	0	0	112.5	Y308 V312 L355 K374 V379 M380	Y308-V376 HydrophobicContact CD1-CB 3.67Å; Y308-V376 HydrophobicContact CD1-CG1 3.78Å; Y308-V376 HydrophobicContact CD1-CG2 3.78Å; Y308-V376 HydrophobicContact CE1-CB 3.91Å; Y308-V376 HydrophobicContact CE1-CG1 3.8Å; Y308-V376 HydrophobicContact CE1-CG2 3.61Å; Y308-V376 HydrophobicContact CE2-CG2 4.39Å; Y308-V376 HydrophobicContact CG-CB 4.29Å; Y308-V376 HydrophobicContact CG-CG2 4.25Å; V312-V376 HydrophobicContact CG2-CG2 3.94Å; L355-V376 HydrophobicContact CD2-CG1 4.25Å; K374-V376 HydrophobicContact CB-CG1 4.25Å; K374-V376 PolarHBondContact O-N 2.89Å; K374-V376 VanDerWaalsContact O-N 3.13Å; V376-V379 WeakPolarHBondContact O-CG1 3.36Å; V376-M380 WeakPolarHBondContact O-CG 3.47Å; V376-M380 PolarHBondContact O-N 2.79Å
377	L	98.9	Very high	98.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-72.9	-36.6	173.1	177.2	62.4	0	0	0	110.7	Y67 V71 I76 L355 T356 R373 K374 P375 V379 M380 G381 F591	Y67-L377 HydrophobicContact CD1-CD2 4.21Å; V71-L377 HydrophobicContact CG2-CD1 3.38Å; V71-L377 HydrophobicContact CG2-CG 4.44Å; I76-L377 HydrophobicContact CD1-CD1 4.09Å; L355-L377 HydrophobicContact CB-CB 4.15Å; L355-L377 HydrophobicContact CB-CD1 4.42Å; L355-L377 HydrophobicContact CB-CD2 4.43Å; L355-L377 HydrophobicContact CD1-CD1 4.44Å; L355-L377 HydrophobicContact CD2-CB 4.03Å; L355-L377 HydrophobicContact CD2-CD1 4.13Å; L355-L377 WeakPolarHBondContact O-CB 3.35Å; T356-L377 HydrophobicContact CG2-CD2 4.12Å; R373-L377 HydrophobicContact CB-CD2 4.32Å; R373-L377 HydrophobicContact CG-CB 4Å; R373-L377 HydrophobicContact CG-CD2 3.83Å; R373-L377 HydrophobicContact CG-CG 4.02Å; K374-L377 PolarHBondContact O-N 2.9Å; P375-L377 VanDerWaalsContact C-N 3.32Å; P375-L377 PolarHBondContact O-N 2.67Å; L377-V379 VanDerWaalsContact C-N 3.35Å; L377-V379 PolarHBondContact O-N 3.35Å; L377-M380 WeakPolarHBondContact O-CB 3.3Å; L377-M380 PolarHBondContact O-N 3.01Å; L377-G381 PolarHBondContact O-N 2.85Å; L377-F591 HydrophobicContact CG-CE1 4.31Å
378	T	98.9	Very high	98.6	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-59.7	-42	174.6	-58.3	0	0	0	0	112.4	R373 K374 P375 M380 G381 L382 L465 E497	R373-T378 PolarHBondContact NH1-OG1 3.31Å; K374-T378 PolarHBondContact O-N 3.38Å; P375-T378 WeakPolarHBondContact O-CB 3.41Å; P375-T378 PolarHBondContact O-N 3.48Å; P375-T378 VanDerWaalsContact O-N 3.16Å; T378-M380 VanDerWaalsContact C-N 3.3Å; T378-M380 PolarHBondContact O-N 3.15Å; T378-G381 PolarHBondContact O-N 2.96Å; T378-G381 VanDerWaalsContact O-N 3.08Å; T378-L382 PolarHBondContact O-N 2.86Å; T378-L465 HydrophobicContact CG2-CD1 4.36Å; T378-L465 HydrophobicContact CG2-CD2 3.82Å; T378-E497 PolarHBondContact OG1-O 3.22Å
379	V	98.9	Very high	98.6	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-69.6	-26.6	179.6	86.5	0	0	0	0	113	A309 V313 P375 V376 L377 G381 L382 L383 L465 V524	A309-V379 HydrophobicContact CB-CB 4.04Å; A309-V379 HydrophobicContact CB-CG1 3.93Å; V313-V379 HydrophobicContact CG2-CG1 4.31Å; V313-V379 HydrophobicContact CG2-CG2 3.41Å; V313-V379 VanDerWaalsContact CG2-CG2 3.41Å; P375-V379 PolarHBondContact O-N 3.38Å; V376-V379 WeakPolarHBondContact O-CG1 3.36Å; L377-V379 VanDerWaalsContact C-N 3.35Å; L377-V379 PolarHBondContact O-N 3.35Å; V379-G381 PolarHBondContact O-N 3.17Å; V379-L382 PolarHBondContact O-N 2.92Å; V379-L382 VanDerWaalsContact O-N 3.08Å; V379-L383 PolarHBondContact O-N 3.21Å; V379-L465 HydrophobicContact CB-CD1 4.1Å; V379-L465 HydrophobicContact CG2-CD1 4.08Å; V379-V524 HydrophobicContact CG2-CB 4.46Å; V379-V524 HydrophobicContact CG2-CG1 4.09Å; V379-V524 HydrophobicContact CG2-CG2 4.15Å
380	M	98.9	Very high	98.5	Very high	8 Å²	8	7.8 Å²	7.8	4%	0.039	4%	0.041	C	C	.	.	H	α-helix	trans	-61.7	-34	170.4	-58.2	-52.3	-74	0	0	111.5	V71 I76 V312 V376 L377 T378 L383 A384	V71-M380 HydrophobicContact CG1-CB 4.01Å; V71-M380 HydrophobicContact CG2-CB 4.41Å; I76-M380 HydrophobicContact CD1-CB 4.48Å; I76-M380 HydrophobicContact CD1-CG 4.3Å; I76-M380 HydrophobicContact CG1-CB 4.45Å; I76-M380 HydrophobicContact CG1-CE 4.28Å; V312-M380 HydrophobicContact CG1-SD 4.21Å; V376-M380 WeakPolarHBondContact O-CG 3.47Å; V376-M380 PolarHBondContact O-N 2.79Å; L377-M380 WeakPolarHBondContact O-CB 3.3Å; L377-M380 PolarHBondContact O-N 3.01Å; T378-M380 VanDerWaalsContact C-N 3.3Å; T378-M380 PolarHBondContact O-N 3.15Å; M380-L383 PolarHBondContact O-N 2.92Å; M380-L383 HydrophobicContact SD-CD1 3.87Å; M380-A384 WeakPolarHBondContact O-CB 3.47Å; M380-A384 PolarHBondContact O-N 3.02Å
381	G	98.6	Very high	98.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-65.7	-35.9	172.3	0	0	0	0	0	113	L377 T378 V379 A384	L377-G381 PolarHBondContact O-N 2.85Å; T378-G381 PolarHBondContact O-N 2.96Å; T378-G381 VanDerWaalsContact O-N 3.08Å; V379-G381 PolarHBondContact O-N 3.17Å; G381-A384 WeakPolarHBondContact O-CB 3.3Å; G381-A384 PolarHBondContact O-N 3.33Å
382	L	98.8	Very high	98.4	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-72.4	-40.6	175.1	-58.5	-171	0	0	0	112.1	T378 V379 A384 L385 L429 Y463 L465 P499 V524 L526 I590	T378-L382 PolarHBondContact O-N 2.86Å; V379-L382 PolarHBondContact O-N 2.92Å; V379-L382 VanDerWaalsContact O-N 3.08Å; L382-A384 PolarHBondContact O-N 3.43Å; L382-L385 WeakPolarHBondContact O-CB 3.48Å; L382-L385 PolarHBondContact O-N 2.94Å; L382-L385 VanDerWaalsContact O-N 3.14Å; L382-L429 HydrophobicContact CB-CD1 4.28Å; L382-Y463 HydrophobicContact CD2-CD1 4.28Å; L382-Y463 HydrophobicContact CD2-CD2 4.42Å; L382-Y463 HydrophobicContact CD2-CG 3.9Å; L382-L465 HydrophobicContact CD1-CD1 3.59Å; L382-L465 HydrophobicContact CD1-CG 4.14Å; L382-L465 HydrophobicContact CG-CD1 4.49Å; L382-P499 HydrophobicContact CD2-CG 4.44Å; L382-V524 HydrophobicContact CD1-CG1 4.32Å; L382-L526 HydrophobicContact CB-CD2 4.24Å; L382-L526 HydrophobicContact CD1-CB 4.42Å; L382-L526 HydrophobicContact CD2-CD2 4.1Å; L382-I590 HydrophobicContact CD2-CD1 4.37Å
383	L	98.9	Very high	98.3	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.01	6%	0.061	C	C	.	.	H	α-helix	trans	-60.8	-32.5	173.6	-75.6	161.7	0	0	0	111.8	W38 V313 I316 V379 M380 L385 L386 L429	W38-L383 HydrophobicContact CZ2-CB 4.29Å; W38-L383 HydrophobicContact CZ2-CD2 4.24Å; V313-L383 HydrophobicContact CG2-CD1 4.32Å; V313-L383 HydrophobicContact CG2-CD2 4.46Å; V313-L383 HydrophobicContact CG2-CG 4.43Å; I316-L383 HydrophobicContact CD1-CD1 3.51Å; I316-L383 HydrophobicContact CD1-CD2 4.11Å; I316-L383 HydrophobicContact CD1-CG 4.48Å; V379-L383 PolarHBondContact O-N 3.21Å; M380-L383 PolarHBondContact O-N 2.92Å; M380-L383 HydrophobicContact SD-CD1 3.87Å; L383-L385 PolarHBondContact O-N 2.66Å; L383-L386 HydrophobicContact CD2-CD1 3.91Å; L383-L386 WeakPolarHBondContact O-CB 3.33Å; L383-L386 PolarHBondContact O-N 3.47Å; L383-L429 HydrophobicContact CD2-CD2 3.51Å; L383-L429 HydrophobicContact CG-CD2 4.08Å
384	A	98.4	Very high	98	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.008	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-21	177.4	0	0	0	0	0	113.8	P72 M380 G381 L382 L386 K565	P72-A384 HydrophobicContact CG-CB 4.49Å; P72-A384 WeakPolarHBondContact O-CB 3.35Å; M380-A384 WeakPolarHBondContact O-CB 3.47Å; M380-A384 PolarHBondContact O-N 3.02Å; G381-A384 WeakPolarHBondContact O-CB 3.3Å; G381-A384 PolarHBondContact O-N 3.33Å; L382-A384 PolarHBondContact O-N 3.43Å; A384-L386 VanDerWaalsContact C-N 3.31Å; A384-K565 PolarHBondContact O-NZ 3.37Å
385	L	98.4	Very high	97.7	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.016	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-11.6	177.5	-63.1	176.8	0	0	0	113.4	L382 L383 Y463 L526 K565 I590	L382-L385 WeakPolarHBondContact O-CB 3.48Å; L382-L385 PolarHBondContact O-N 2.94Å; L382-L385 VanDerWaalsContact O-N 3.14Å; L383-L385 PolarHBondContact O-N 2.66Å; L385-Y463 HydrophobicContact CD1-CE2 4.07Å; L385-L526 HydrophobicContact CB-CD2 3.9Å; L385-L526 HydrophobicContact CD1-CD2 3.42Å; L385-L526 VanDerWaalsContact CD1-CD2 3.42Å; L385-L526 HydrophobicContact CG-CD2 4.23Å; L385-K565 HydrophobicContact CD2-CB 3.81Å; L385-K565 HydrophobicContact CD2-CD 4.41Å; L385-I590 HydrophobicContact CD1-CD1 4.16Å
386	L	98.5	Very high	97	Very high	9 Å²	9	20.2 Å²	20.2	5%	0.047	11%	0.11	C	C	.	.			trans	-63.9	140.7	174.2	-65	166.2	0	0	0	111.1	F34 W38 L383 A384 L409 S411 A427 L429 K565	F34-L386 HydrophobicContact CD1-CB 4.37Å; F34-L386 HydrophobicContact CE1-CB 3.83Å; F34-L386 HydrophobicContact CE1-CD1 3.76Å; F34-L386 HydrophobicContact CE1-CD2 4.48Å; F34-L386 HydrophobicContact CE1-CG 4.21Å; F34-L386 HydrophobicContact CZ-CD1 4.17Å; W38-L386 HydrophobicContact CH2-CD1 4.26Å; W38-L386 HydrophobicContact CZ2-CD1 4.18Å; L383-L386 HydrophobicContact CD2-CD1 3.91Å; L383-L386 WeakPolarHBondContact O-CB 3.33Å; L383-L386 PolarHBondContact O-N 3.47Å; A384-L386 VanDerWaalsContact C-N 3.31Å; L386-L409 HydrophobicContact CD1-CD1 4.45Å; L386-S411 WeakPolarHBondContact CA-OG 3.38Å; L386-S411 WeakPolarHBondContact CB-OG 3.16Å; L386-S411 WeakPolarHBondContact CD2-OG 3.45Å; L386-A427 HydrophobicContact CD2-CB 4Å; L386-L429 HydrophobicContact CD1-CD2 4.19Å; L386-L429 HydrophobicContact CD2-CB 4.19Å; L386-K565 PolarHBondContact O-NZ 3.39Å
387	G	97.4	Very high	95.6	Very high	8 Å²	8	24.9 Å²	24.9	8%	0.082	14%	0.135	C	C	.	.			trans	-82.8	-178	177.5	0	0	0	0	0	113.3	F34 S411	F34-G387 WeakPolarHBondContact CD1-O 3.29Å; G387-S411 PolarHBondContact N-OG 3.22Å
388	E	96.8	Very high	93.8	Very high	73 Å²	73	26 Å²	26	34%	0.341	14%	0.143	S	C	.	.	S	Bend	trans	-88.8	-5.1	-175.1	70.2	-72.5	166.4	0	0	114.6	F34 T412 H413 R414	F34-E388 PolarHBondContact N-O 3.28Å; E388-T412 PolarHBondContact N-O 3.17Å; E388-H413 WeakPolarHBondContact OE1-CA 3.37Å; E388-H413 IonicContact OE1-ND1 2.87Å; E388-H413 IonicContact OE2-CE1 2.72Å; E388-H413 IonicContact OE2-CG 3.65Å; E388-H413 IonicContact OE2-ND1 3.55Å; E388-H413 PolarHBondContact OE2-ND1 2.87Å; E388-R414 PolarHBondContact OE1-N 2.91Å
389	T	97.9	Very high	91.6	Very high	35 Å²	35	29.1 Å²	29.1	22%	0.215	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	114.8	-179.8	-57.9	0	0	0	0	110.4	P30 S411 T412	P30-T389 HydrophobicContact CB-CG2 3.6Å; T389-S411 CarbonylContact O-C 3.55Å; T389-S411 WeakPolarHBondContact O-CA 3.48Å; T389-S411 WeakPolarHBondContact O-CB 3.23Å; T389-T412 PolarHBondContact N-O 2.91Å; T389-T412 PolarHBondContact O-N 3.43Å
390	Q	98.1	Very high	89.4	Confident	9 Å²	9	38.2 Å²	38.2	4%	0.042	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	137.6	172.8	-178.7	176.1	18.1	0	0	108.8	E31 R32 F34	E31-Q390 PolarHBondContact N-O 3.05Å; R32-Q390 HydrophobicContact CG-CB 3.97Å; R32-Q390 VanDerWaalsContact NE-OE1 3.14Å; R32-Q390 PolarHBondContact O-N 2.78Å; F34-Q390 HydrophobicContact CB-CB 3.95Å; F34-Q390 HydrophobicContact CD2-CB 4.38Å; F34-Q390 HydrophobicContact CG-CB 4.23Å
391	V	97.9	Very high	87.7	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	159.1	177.1	-64.5	0	0	0	0	110.9	V25 D26 Q29 A393 A410 T412	V25-V391 HydrophobicContact CG1-CG2 3.86Å; D26-V391 WeakPolarHBondContact O-CB 3.43Å; Q29-V391 WeakPolarHBondContact O-CA 3.33Å; V391-A393 PolarHBondContact O-N 3.49Å; V391-A410 HydrophobicContact CG2-CB 3.72Å; V391-A410 PolarHBondContact N-O 3.17Å; V391-A410 VanDerWaalsContact N-O 3.17Å; V391-T412 HydrophobicContact CG1-CG2 3.61Å
392	L	96.9	Very high	86.1	Confident	32 Å²	32	50.9 Å²	50.9	17%	0.168	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	122.7	179.1	178.4	67.4	0	0	0	110.1	V25 D26 Q29 E31 Q394	V25-L392 WeakPolarHBondContact CA-O 3.49Å; D26-L392 PolarHBondContact N-O 2.91Å; Q29-L392 HydrophobicContact CB-CB 4.11Å; Q29-L392 HydrophobicContact CG-CB 4.13Å; Q29-L392 PolarHBondContact O-N 2.58Å; E31-L392 HydrophobicContact CG-CB 4.35Å; E31-L392 WeakPolarHBondContact OE1-CD1 3.1Å; L392-Q394 HydrophobicContact CD1-CG 4.04Å; L392-Q394 HydrophobicContact CG-CG 4.44Å
393	A	96	Very high	85.2	Confident	30 Å²	30	54.1 Å²	54.1	25%	0.248	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	131.7	173.6	0	0	0	0	0	110.5	T24 V25 V391 V408 A410	T24-A393 CarbonylContact O-C 3.3Å; T24-A393 VanDerWaalsContact O-CA 3.24Å; T24-A393 WeakPolarHBondContact O-CA 3.32Å; V25-A393 HydrophobicContact CG2-CB 4.03Å; V391-A393 PolarHBondContact O-N 3.49Å; A393-V408 HydrophobicContact CB-CG1 3.88Å; A393-V408 HydrophobicContact CB-CG2 4.36Å; A393-A410 HydrophobicContact CB-CB 3.86Å
394	Q	93.1	Very high	84.6	Confident	91 Å²	91	54.7 Å²	54.7	43%	0.425	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.2	-176.3	-62.9	-179.3	-17.9	0	0	111.4	I23 T24 L392 L396	I23-Q394 CarbonylContact C-O 3.55Å; I23-Q394 VanDerWaalsContact CA-O 3.28Å; I23-Q394 WeakPolarHBondContact CA-O 3.42Å; T24-Q394 PolarHBondContact N-O 3.33Å; T24-Q394 PolarHBondContact O-N 2.8Å; L392-Q394 HydrophobicContact CD1-CG 4.04Å; L392-Q394 HydrophobicContact CG-CG 4.44Å; Q394-L396 HydrophobicContact CB-CD2 4.31Å
395	V	92.7	Very high	84.4	Confident	27 Å²	27	55.5 Å²	55.5	16%	0.164	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	104.7	171.2	-172.6	0	0	0	0	107.5	Y21 I23 N397 S398 V408	Y21-V395 HydrophobicContact CD1-CG1 3.88Å; I23-V395 HydrophobicContact CG1-CG2 4.24Å; V395-N397 VanDerWaalsContact C-N 3.34Å; V395-N397 PolarHBondContact O-N 2.7Å; V395-S398 WeakPolarHBondContact CB-OG 3.12Å; V395-S398 WeakPolarHBondContact CG1-OG 3.38Å; V395-S398 PolarHBondContact O-OG 2.89Å; V395-V408 HydrophobicContact CG2-CG1 3.92Å
396	L	84.3	Confident	84.3	Confident	94 Å²	94	55.5 Å²	55.5	49%	0.492	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-15.8	-165.2	-64	176.5	0	0	0	114.8	I22 T24 Q394	I22-L396 HydrophobicContact CG2-CD1 4.13Å; I22-L396 PolarHBondContact O-N 3Å; T24-L396 HydrophobicContact CG2-CD1 3.72Å; T24-L396 HydrophobicContact CG2-CG 4.39Å; Q394-L396 HydrophobicContact CB-CD2 4.31Å
397	N	68.3	Low	84.2	Confident	98 Å²	98	55.2 Å²	55.2	52%	0.524	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	0.9	-176.1	-71.3	-7.2	0	0	0	114.5	A20 V395	A20-N397 PolarHBondContact O-ND2 2.84Å; A20-N397 VanDerWaalsContact O-ND2 3.07Å; V395-N397 VanDerWaalsContact C-N 3.34Å; V395-N397 PolarHBondContact O-N 2.7Å
398	S	62	Low	84.2	Confident	25 Å²	25	55 Å²	55	18%	0.175	30%	0.299	C	S	.	.	S	Bend	trans	-79.9	117.2	165.6	55.1	0	0	0	0	106.3	V395 H400	V395-S398 WeakPolarHBondContact CB-OG 3.12Å; V395-S398 WeakPolarHBondContact CG1-OG 3.38Å; V395-S398 PolarHBondContact O-OG 2.89Å; S398-H400 PolarHBondContact O-N 2.94Å
399	G	52.7	Low	84.2	Confident	64 Å²	64	51.6 Å²	51.6	66%	0.66	28%	0.283	S	S	*	.			trans	-65.9	66.5	-175.7	0	0	0	0	0	113.7	E401	G399-E401 WeakPolarHBondContact O-CG 3.22Å; G399-E401 PolarHBondContact O-N 3.2Å
400	H	53.7	Low	84.3	Confident	191 Å²	191	50 Å²	50	88%	0.884	27%	0.273	S	S	*	.	S	Bend	trans	39.6	29	-177.5	-68.6	-70.8	0	0	0	115.1	S398 E402	S398-H400 PolarHBondContact O-N 2.94Å; H400-E402 PolarHBondContact O-N 3.2Å
401	E	62.3	Low	84.3	Confident	138 Å²	138	49.6 Å²	49.6	65%	0.645	27%	0.271	S	S	*	.			trans	-78.4	118.9	-179	-75.5	-179.3	-178.1	0	0	109.3	G399 N403 S404	G399-E401 WeakPolarHBondContact O-CG 3.22Å; G399-E401 PolarHBondContact O-N 3.2Å; E401-N403 PolarHBondContact O-N 3.07Å; E401-S404 PolarHBondContact O-N 3.45Å
402	E	65.8	Low	84.3	Confident	137 Å²	137	49.8 Å²	49.8	64%	0.64	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-19.7	176.5	-64.2	178.1	174.9	0	0	112.9	L322 H400	L322-E402 HydrophobicContact CD1-CB 4.33Å; L322-E402 HydrophobicContact CD2-CG 4.31Å; H400-E402 PolarHBondContact O-N 3.2Å
403	N	78.4	Confident	84.3	Confident	68 Å²	68	49.2 Å²	49.2	36%	0.364	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	42.7	179.7	-164.2	20.7	0	0	0	113.5	L260 K314 E401	L260-N403 HydrophobicContact CD2-CB 4.13Å; K314-N403 WeakPolarHBondContact CE-OD1 3.4Å; K314-N403 PolarHBondContact NZ-OD1 3.37Å; E401-N403 PolarHBondContact O-N 3.07Å
404	S	87.5	Confident	84.2	Confident	14 Å²	14	55 Å²	55	10%	0.098	29%	0.285	C	S	.	.			trans	-65.4	149	174.8	-160.3	0	0	0	0	112.6	E401	E401-S404 PolarHBondContact O-N 3.45Å
405	T	93.8	Very high	84.1	Confident	19 Å²	19	52 Å²	52	12%	0.117	27%	0.272	C	S	.	.	S	Bend	trans	-73.4	-27.9	175.2	51.9	0	0	0	0	112.6	Y431 N432 S433 D434 R441	T405-Y431 WeakPolarHBondContact O-CD2 3.3Å; T405-Y431 WeakPolarHBondContact O-CE2 3.49Å; T405-N432 CarbonylContact O-C 3.53Å; T405-N432 WeakPolarHBondContact O-CA 3.4Å; T405-S433 VanDerWaalsContact CA-O 3.32Å; T405-S433 WeakPolarHBondContact CA-O 3.4Å; T405-S433 PolarHBondContact O-N 3.18Å; T405-D434 HydrophobicContact CG2-CB 3.89Å; T405-R441 PolarHBondContact OG1-NH2 2.87Å
406	V	95.8	Very high	83.8	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.018	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132.1	176.8	178.3	0	0	0	0	110.3	Y21 I23 V430 Y431 N432	Y21-V406 HydrophobicContact CD1-CB 4.22Å; Y21-V406 HydrophobicContact CD1-CG1 4.47Å; Y21-V406 HydrophobicContact CD2-CB 4.36Å; Y21-V406 HydrophobicContact CD2-CG2 3.9Å; Y21-V406 HydrophobicContact CE1-CB 4.2Å; Y21-V406 HydrophobicContact CE1-CG2 4.37Å; Y21-V406 HydrophobicContact CE2-CB 4.35Å; Y21-V406 HydrophobicContact CE2-CG2 3.68Å; Y21-V406 HydrophobicContact CG-CB 4.29Å; Y21-V406 HydrophobicContact CG-CG1 4.26Å; Y21-V406 HydrophobicContact CG-CG2 4.34Å; I23-V406 HydrophobicContact CD1-CG1 4.31Å; V406-V430 HydrophobicContact CG1-CG1 4.28Å; V406-Y431 WeakPolarHBondContact CA-O 3.46Å; V406-N432 HydrophobicContact CG2-CB 4.29Å
407	G	96.2	Very high	83.7	Confident	3 Å²	3	58.9 Å²	58.9	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	168.5	175.8	0	0	0	0	0	113	V430 Y431	G407-V430 VanDerWaalsContact O-CA 3.31Å; G407-V430 WeakPolarHBondContact O-CA 3.46Å; G407-V430 WeakPolarHBondContact O-CG1 3.5Å; G407-Y431 VanDerWaalsContact CA-CE1 3.49Å; G407-Y431 PolarHBondContact N-O 3.22Å; G407-Y431 PolarHBondContact O-N 3.05Å
408	V	97.6	Very high	84.5	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.018	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	126.4	-173.3	56.9	0	0	0	0	112.9	I23 V25 K317 A393 V395 V428 L429 V430	I23-V408 HydrophobicContact CD1-CB 4.36Å; I23-V408 HydrophobicContact CG2-CB 3.95Å; I23-V408 HydrophobicContact CG2-CG1 3.74Å; I23-V408 HydrophobicContact CG2-CG2 3.93Å; V25-V408 HydrophobicContact CG2-CG2 4.5Å; K317-V408 WeakPolarHBondContact CE-O 3.35Å; K317-V408 PolarHBondContact NZ-O 3.35Å; A393-V408 HydrophobicContact CB-CG1 3.88Å; A393-V408 HydrophobicContact CB-CG2 4.36Å; V395-V408 HydrophobicContact CG2-CG1 3.92Å; V408-V428 HydrophobicContact CG2-CG1 3.57Å; V408-L429 CarbonylContact C-O 3.6Å; V408-L429 WeakPolarHBondContact CA-O 3.45Å; V408-V430 HydrophobicContact CB-CG2 4.35Å; V408-V430 HydrophobicContact CG2-CG2 4.11Å
409	L	97.9	Very high	85.6	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.6	162.8	-79.4	166.2	0	0	0	108.8	F34 I316 K317 Q320 L386 L429	F34-L409 HydrophobicContact CE2-CD2 4.11Å; F34-L409 HydrophobicContact CZ-CD1 4.42Å; F34-L409 HydrophobicContact CZ-CD2 3.85Å; I316-L409 HydrophobicContact CG2-CD1 4.12Å; K317-L409 HydrophobicContact CB-CD1 4.09Å; K317-L409 HydrophobicContact CB-CG 4.09Å; K317-L409 HydrophobicContact CD-CD2 3.64Å; K317-L409 HydrophobicContact CD-CG 3.83Å; K317-L409 HydrophobicContact CG-CG 4.28Å; Q320-L409 HydrophobicContact CB-CD2 4.07Å; Q320-L409 HydrophobicContact CG-CD2 4Å; L386-L409 HydrophobicContact CD1-CD1 4.45Å; L409-L429 HydrophobicContact CB-CB 4.42Å; L409-L429 PolarHBondContact N-O 2.97Å; L409-L429 PolarHBondContact O-N 3.47Å
410	A	98.5	Very high	87.5	Confident	2 Å²	2	60.4 Å²	60.4	2%	0.017	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.6	177.2	0	0	0	0	0	111	V25 V391 A393 A427 V428	V25-A410 HydrophobicContact CG1-CB 3.61Å; V25-A410 HydrophobicContact CG2-CB 4.15Å; V391-A410 HydrophobicContact CG2-CB 3.72Å; V391-A410 PolarHBondContact N-O 3.17Å; V391-A410 VanDerWaalsContact N-O 3.17Å; A393-A410 HydrophobicContact CB-CB 3.86Å; A410-A427 WeakPolarHBondContact CA-O 3.18Å; A410-V428 HydrophobicContact CB-CG2 4.32Å
411	S	98.6	Very high	89.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	154	-179.4	56.6	0	0	0	0	111.7	L386 G387 T389 V426 A427	L386-S411 WeakPolarHBondContact CA-OG 3.38Å; L386-S411 WeakPolarHBondContact CB-OG 3.16Å; L386-S411 WeakPolarHBondContact CD2-OG 3.45Å; G387-S411 PolarHBondContact N-OG 3.22Å; T389-S411 CarbonylContact O-C 3.55Å; T389-S411 WeakPolarHBondContact O-CA 3.48Å; T389-S411 WeakPolarHBondContact O-CB 3.23Å; S411-V426 WeakPolarHBondContact O-CA 3.38Å; S411-V426 WeakPolarHBondContact O-CG2 3.44Å; S411-A427 PolarHBondContact N-O 3.11Å; S411-A427 PolarHBondContact O-N 3.07Å
412	T	98.2	Very high	90.9	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	152.3	171.3	55.4	0	0	0	0	110.3	A27 E388 T389 V391 W424 Q425 V426	A27-T412 HydrophobicContact CB-CG2 4.11Å; E388-T412 PolarHBondContact N-O 3.17Å; T389-T412 PolarHBondContact N-O 2.91Å; T389-T412 PolarHBondContact O-N 3.43Å; V391-T412 HydrophobicContact CG1-CG2 3.61Å; T412-W424 HydrophobicContact CG2-CZ2 4.09Å; T412-Q425 CarbonylContact C-O 3.54Å; T412-Q425 VanDerWaalsContact CA-O 3.25Å; T412-Q425 WeakPolarHBondContact CA-O 3.26Å; T412-V426 HydrophobicContact CG2-CB 3.99Å; T412-V426 HydrophobicContact CG2-CG2 3.94Å
413	H	96.8	Very high	92.2	Very high	20 Å²	20	40.4 Å²	40.4	9%	0.093	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.1	172	172.3	65.6	0	0	0	109.6	E388 D422 S423 W424 Q425	E388-H413 WeakPolarHBondContact OE1-CA 3.37Å; E388-H413 IonicContact OE1-ND1 2.87Å; E388-H413 IonicContact OE2-CE1 2.72Å; E388-H413 IonicContact OE2-CG 3.65Å; E388-H413 IonicContact OE2-ND1 3.55Å; E388-H413 PolarHBondContact OE2-ND1 2.87Å; H413-D422 IonicContact CD2-OD1 2.88Å; H413-D422 IonicContact CD2-OD2 2.94Å; H413-D422 IonicContact CE1-OD2 3.31Å; H413-D422 IonicContact NE2-OD1 3.59Å; H413-D422 PolarHBondContact NE2-OD1 2.83Å; H413-D422 IonicContact NE2-OD2 3.4Å; H413-D422 PolarHBondContact NE2-OD2 3.21Å; H413-S423 PolarHBondContact CD2-O 3.5Å; H413-W424 WeakPolarHBondContact O-CA 3.48Å; H413-Q425 HydrophobicContact CB-CB 4.02Å; H413-Q425 HydrophobicContact CB-CG 4.15Å; H413-Q425 PolarHBondContact CD2-NE2 2.99Å; H413-Q425 VanDerWaalsContact CD2-NE2 3.28Å; H413-Q425 PolarHBondContact N-O 2.93Å; H413-Q425 PolarHBondContact O-N 3.15Å; H413-Q425 VanDerWaalsContact O-N 3.1Å
414	R	93.8	Very high	93.1	Very high	153 Å²	153	37.9 Å²	37.9	58%	0.577	21%	0.205	S	C	*	.			trans	-117.6	129.9	169.5	-68.7	-179.3	-179.9	-103.7	-0.4	109.8	E388 V416	E388-R414 PolarHBondContact OE1-N 2.91Å; R414-V416 PolarHBondContact O-N 2.91Å
415	P	91.6	Very high	93.6	Very high	26 Å²	26	37.4 Å²	37.4	17%	0.169	20%	0.201	C	C	.	.			trans	-64.5	131.7	-178.4	27.2	-34.5	0	0	0	110	D422	P415-D422 HydrophobicContact CB-CB 4.14Å
416	V	85.4	Confident	93.8	Very high	136 Å²	136	36.5 Å²	36.5	82%	0.824	20%	0.196	S	C	*	.	S	Bend	trans	-70.6	-38.8	178.2	-179.7	0	0	0	0	110.7	R414	R414-V416 PolarHBondContact O-N 2.91Å
417	I	83.9	Confident	93.9	Very high	131 Å²	131	36.4 Å²	36.4	67%	0.672	20%	0.195	S	C	*	.	S	Bend	trans	-103.8	118.6	178.3	-60	174.3	0	0	0	108.3
418	H	84.3	Confident	94	Very high	165 Å²	165	36.2 Å²	36.2	76%	0.764	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	144.8	174.6	-60.8	-55.2	0	0	0	111.4	G420	H418-G420 VanDerWaalsContact C-N 3.34Å
419	G	85.3	Confident	94.1	Very high	34 Å²	34	36.1 Å²	36.1	35%	0.351	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	15.6	177	0	0	0	0	0	115.8	E534	G419-E534 VanDerWaalsContact CA-OE2 3.27Å; G419-E534 WeakPolarHBondContact CA-OE2 3.4Å
420	G	91.5	Very high	94.1	Very high	19 Å²	19	36 Å²	36	20%	0.196	19%	0.193	C	C	.	.	S	Bend	trans	-92.2	-161.9	178.9	0	0	0	0	0	114.8	H418 D422 E534 V535	H418-G420 VanDerWaalsContact C-N 3.34Å; G420-D422 VanDerWaalsContact C-N 3.26Å; G420-E534 PolarHBondContact O-N 3.15Å; G420-V535 PolarHBondContact O-N 3.46Å; G420-V535 VanDerWaalsContact O-N 3.15Å
421	S	92.8	Very high	94.1	Very high	9 Å²	9	36.5 Å²	36.5	6%	0.063	19%	0.194	C	C	.	.	S	Bend	trans	-75.2	-15.9	171.8	61.6	0	0	0	0	113.2	P533 G536 D538 V562 S564	S421-P533 WeakPolarHBondContact O-CB 3.28Å; S421-P533 WeakPolarHBondContact O-CG 3.36Å; S421-G536 WeakPolarHBondContact CB-O 3.22Å; S421-D538 WeakPolarHBondContact CB-OD2 3.34Å; S421-D538 PolarHBondContact OG-OD2 3.1Å; S421-V562 PolarHBondContact OG-O 3.32Å; S421-S564 VanDerWaalsContact O-CB 3.29Å; S421-S564 WeakPolarHBondContact O-CB 3.4Å; S421-S564 PolarHBondContact O-OG 2.88Å
422	D	94.4	Very high	94.1	Very high	31 Å²	31	36.5 Å²	36.5	17%	0.166	19%	0.194	C	C	.	.			trans	-95.5	156.9	179.9	-167.1	18.7	0	0	0	112.1	H413 P415 G420 Q425	H413-D422 IonicContact CD2-OD1 2.88Å; H413-D422 IonicContact CD2-OD2 2.94Å; H413-D422 IonicContact CE1-OD2 3.31Å; H413-D422 IonicContact NE2-OD1 3.59Å; H413-D422 PolarHBondContact NE2-OD1 2.83Å; H413-D422 IonicContact NE2-OD2 3.4Å; H413-D422 PolarHBondContact NE2-OD2 3.21Å; P415-D422 HydrophobicContact CB-CB 4.14Å; G420-D422 VanDerWaalsContact C-N 3.26Å; D422-Q425 PolarHBondContact OD1-NE2 3.37Å
423	S	94.9	Very high	94.1	Very high	7 Å²	7	36.3 Å²	36.3	5%	0.049	19%	0.193	C	C	.	.			trans	-154.6	168.4	-169.3	61.6	0	0	0	0	110.9	H413 Q425 A531	H413-S423 PolarHBondContact CD2-O 3.5Å; S423-Q425 VanDerWaalsContact O-CG 3.23Å; S423-Q425 WeakPolarHBondContact O-CG 3.2Å; S423-A531 WeakPolarHBondContact CB-O 3.43Å; S423-A531 PolarHBondContact OG-O 2.79Å
424	W	96.5	Very high	94.1	Very high	15 Å²	15	38.2 Å²	38.2	6%	0.057	20%	0.204	C	C	.	.			trans	-60.5	139.4	172.5	179.5	88.5	0	0	0	111.7	A27 T412 H413 V426 L452 Q455 L458 A531	A27-W424 HydrophobicContact CB-CH2 4.27Å; A27-W424 HydrophobicContact CB-CZ2 3.96Å; T412-W424 HydrophobicContact CG2-CZ2 4.09Å; H413-W424 WeakPolarHBondContact O-CA 3.48Å; W424-V426 HydrophobicContact CH2-CB 3.73Å; W424-V426 HydrophobicContact CH2-CG1 3.4Å; W424-V426 HydrophobicContact CZ2-CB 4.06Å; W424-V426 HydrophobicContact CZ2-CG1 4.22Å; W424-V426 HydrophobicContact CZ3-CB 4.33Å; W424-V426 HydrophobicContact CZ3-CG1 3.82Å; W424-L452 HydrophobicContact CH2-CD2 3.66Å; W424-L452 HydrophobicContact CZ3-CD2 4.22Å; W424-Q455 HydrophobicContact CD2-CG 3.74Å; W424-Q455 HydrophobicContact CE3-CB 4.31Å; W424-Q455 HydrophobicContact CE3-CG 3.58Å; W424-Q455 HydrophobicContact CG-CG 4.3Å; W424-Q455 HydrophobicContact CH2-CG 4.29Å; W424-Q455 HydrophobicContact CZ2-CG 4.45Å; W424-Q455 HydrophobicContact CZ3-CG 3.87Å; W424-L458 HydrophobicContact CE3-CD2 4.26Å; W424-L458 HydrophobicContact CZ3-CD2 4.04Å; W424-A531 HydrophobicContact CB-CB 4.09Å; W424-A531 HydrophobicContact CE3-CB 4.35Å; W424-A531 PolarHBondContact O-N 3.43Å
425	Q	97.3	Very high	94.3	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.014	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	152.4	-178.9	-36	167.4	13	0	0	110.2	T412 H413 D422 S423 H528 V529	T412-Q425 CarbonylContact C-O 3.54Å; T412-Q425 VanDerWaalsContact CA-O 3.25Å; T412-Q425 WeakPolarHBondContact CA-O 3.26Å; H413-Q425 HydrophobicContact CB-CB 4.02Å; H413-Q425 HydrophobicContact CB-CG 4.15Å; H413-Q425 PolarHBondContact CD2-NE2 2.99Å; H413-Q425 VanDerWaalsContact CD2-NE2 3.28Å; H413-Q425 PolarHBondContact N-O 2.93Å; H413-Q425 PolarHBondContact O-N 3.15Å; H413-Q425 VanDerWaalsContact O-N 3.1Å; D422-Q425 PolarHBondContact OD1-NE2 3.37Å; S423-Q425 VanDerWaalsContact O-CG 3.23Å; S423-Q425 WeakPolarHBondContact O-CG 3.2Å; Q425-H528 PolarHBondContact OE1-NE2 2.94Å; Q425-V529 CarbonylContact C-O 3.59Å; Q425-V529 VanDerWaalsContact CA-O 3.28Å; Q425-V529 WeakPolarHBondContact CA-O 3.43Å
426	V	98.1	Very high	94.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	131	163	59.6	0	0	0	0	109.7	A27 S411 T412 W424 V428 L449 L452 V529	A27-V426 HydrophobicContact CB-CG2 4.3Å; S411-V426 WeakPolarHBondContact O-CA 3.38Å; S411-V426 WeakPolarHBondContact O-CG2 3.44Å; T412-V426 HydrophobicContact CG2-CB 3.99Å; T412-V426 HydrophobicContact CG2-CG2 3.94Å; W424-V426 HydrophobicContact CH2-CB 3.73Å; W424-V426 HydrophobicContact CH2-CG1 3.4Å; W424-V426 HydrophobicContact CZ2-CB 4.06Å; W424-V426 HydrophobicContact CZ2-CG1 4.22Å; W424-V426 HydrophobicContact CZ3-CB 4.33Å; W424-V426 HydrophobicContact CZ3-CG1 3.82Å; V426-V428 HydrophobicContact CG2-CG2 4.34Å; V426-L449 HydrophobicContact CG1-CD1 4.41Å; V426-L449 HydrophobicContact CG1-CD2 3.78Å; V426-L449 HydrophobicContact CG2-CD1 4.1Å; V426-L452 HydrophobicContact CG1-CD2 4.31Å; V426-V529 HydrophobicContact CG1-CB 3.61Å; V426-V529 HydrophobicContact CG1-CG1 4.38Å; V426-V529 HydrophobicContact CG1-CG2 3.99Å; V426-V529 PolarHBondContact N-O 2.76Å; V426-V529 PolarHBondContact O-N 3.35Å
427	A	98.7	Very high	95	Very high	1 Å²	1	28 Å²	28	1%	0.008	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122	-179.8	0	0	0	0	0	109	L386 A410 S411 L526	L386-A427 HydrophobicContact CD2-CB 4Å; A410-A427 WeakPolarHBondContact CA-O 3.18Å; S411-A427 PolarHBondContact N-O 3.11Å; S411-A427 PolarHBondContact O-N 3.07Å; A427-L526 HydrophobicContact CB-CD1 4.12Å
428	V	98.8	Very high	95.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	104.3	177.4	-175.7	0	0	0	0	108.6	V25 V408 A410 V426 V430 V447 L449 L526 V527	V25-V428 HydrophobicContact CB-CG2 4.41Å; V25-V428 HydrophobicContact CG1-CG2 4.1Å; V25-V428 HydrophobicContact CG2-CG1 3.85Å; V25-V428 HydrophobicContact CG2-CG2 4.11Å; V408-V428 HydrophobicContact CG2-CG1 3.57Å; A410-V428 HydrophobicContact CB-CG2 4.32Å; V426-V428 HydrophobicContact CG2-CG2 4.34Å; V428-V430 HydrophobicContact CG1-CG2 4.23Å; V428-V447 HydrophobicContact CG1-CG1 4.15Å; V428-L449 HydrophobicContact CG2-CD1 4.38Å; V428-L526 CarbonylContact O-C 3.48Å; V428-L526 WeakPolarHBondContact O-CA 3.45Å; V428-V527 HydrophobicContact CB-CB 4.3Å; V428-V527 PolarHBondContact N-O 2.8Å; V428-V527 PolarHBondContact O-N 3.09Å
429	L	98.8	Very high	96	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	109.2	-178.9	-174.8	70	0	0	0	109.9	V313 L382 L383 L386 V408 L409 V524 L526	V313-L429 HydrophobicContact CG1-CD2 3.72Å; V313-L429 HydrophobicContact CG1-CG 4.21Å; V313-L429 HydrophobicContact CG2-CD2 4.34Å; L382-L429 HydrophobicContact CB-CD1 4.28Å; L383-L429 HydrophobicContact CD2-CD2 3.51Å; L383-L429 HydrophobicContact CG-CD2 4.08Å; L386-L429 HydrophobicContact CD1-CD2 4.19Å; L386-L429 HydrophobicContact CD2-CB 4.19Å; V408-L429 CarbonylContact C-O 3.6Å; V408-L429 WeakPolarHBondContact CA-O 3.45Å; L409-L429 HydrophobicContact CB-CB 4.42Å; L409-L429 PolarHBondContact N-O 2.97Å; L409-L429 PolarHBondContact O-N 3.47Å; L429-V524 HydrophobicContact CD1-CG1 3.48Å; L429-V524 VanDerWaalsContact CD1-CG1 3.48Å; L429-V524 HydrophobicContact CG-CG1 4.3Å; L429-L526 HydrophobicContact CB-CD1 4.01Å; L429-L526 HydrophobicContact CD1-CB 3.86Å; L429-L526 HydrophobicContact CD1-CD1 4.08Å
430	V	98.7	Very high	96.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.7	177.5	-174.4	0	0	0	0	109.1	I23 V406 G407 V408 V428 V447 L519 V524 L525	I23-V430 HydrophobicContact CD1-CB 4.35Å; I23-V430 HydrophobicContact CD1-CG1 3.54Å; I23-V430 HydrophobicContact CD1-CG2 3.79Å; V406-V430 HydrophobicContact CG1-CG1 4.28Å; G407-V430 VanDerWaalsContact O-CA 3.31Å; G407-V430 WeakPolarHBondContact O-CA 3.46Å; G407-V430 WeakPolarHBondContact O-CG1 3.5Å; V408-V430 HydrophobicContact CB-CG2 4.35Å; V408-V430 HydrophobicContact CG2-CG2 4.11Å; V428-V430 HydrophobicContact CG1-CG2 4.23Å; V430-V447 HydrophobicContact CG2-CG2 4.17Å; V430-L519 HydrophobicContact CB-CD1 4.46Å; V430-L519 HydrophobicContact CG1-CD1 3.68Å; V430-V524 CarbonylContact O-C 3.5Å; V430-V524 WeakPolarHBondContact O-CA 3.4Å; V430-L525 HydrophobicContact CB-CB 4.43Å; V430-L525 PolarHBondContact N-O 3.11Å; V430-L525 PolarHBondContact O-N 2.71Å
431	Y	98.4	Very high	96.4	Very high	12 Å²	12	26.4 Å²	26.4	5%	0.047	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	152.5	169.8	69.4	-94.8	0	0	0	110.9	V313 K314 K317 T405 V406 G407	V313-Y431 HydrophobicContact CG1-CD1 3.87Å; V313-Y431 HydrophobicContact CG1-CG 4.32Å; K314-Y431 HydrophobicContact CB-CD2 3.98Å; K314-Y431 HydrophobicContact CB-CE1 4.4Å; K314-Y431 HydrophobicContact CB-CE2 3.72Å; K314-Y431 HydrophobicContact CB-CG 4.47Å; K314-Y431 HydrophobicContact CD-CE2 3.93Å; K314-Y431 HydrophobicContact CG-CD2 4.39Å; K314-Y431 HydrophobicContact CG-CE2 3.65Å; K317-Y431 HydrophobicContact CB-CE1 3.8Å; K317-Y431 HydrophobicContact CG-CE1 3.8Å; T405-Y431 WeakPolarHBondContact O-CD2 3.3Å; T405-Y431 WeakPolarHBondContact O-CE2 3.49Å; V406-Y431 WeakPolarHBondContact CA-O 3.46Å; G407-Y431 VanDerWaalsContact CA-CE1 3.49Å; G407-Y431 PolarHBondContact N-O 3.22Å; G407-Y431 PolarHBondContact O-N 3.05Å
432	N	97.7	Very high	96.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	108.6	162.4	-166	2.3	0	0	0	107.9	T405 V406 R441 D443 L519 S520 L521 P522 S523	T405-N432 CarbonylContact O-C 3.53Å; T405-N432 WeakPolarHBondContact O-CA 3.4Å; V406-N432 HydrophobicContact CG2-CB 4.29Å; N432-R441 PolarHBondContact OD1-NH2 3.32Å; N432-D443 PolarHBondContact ND2-OD2 3.17Å; N432-D443 PolarHBondContact OD1-OD2 3.42Å; N432-L519 HydrophobicContact CB-CB 4.21Å; N432-L519 PolarHBondContact ND2-O 3.34Å; N432-L519 VanDerWaalsContact ND2-O 3.13Å; N432-S520 PolarHBondContact ND2-O 3.31Å; N432-L521 WeakPolarHBondContact OD1-CD1 3.38Å; N432-P522 CarbonylContact O-C 3.34Å; N432-P522 VanDerWaalsContact O-CA 3.22Å; N432-P522 WeakPolarHBondContact O-CA 3.47Å; N432-S523 PolarHBondContact N-O 2.85Å; N432-S523 PolarHBondContact O-N 2.93Å
433	S	98	Very high	96.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.			trans	-148.6	125	-171.7	176.1	0	0	0	0	111.9	M311 K314 T405 D435	M311-S433 WeakPolarHBondContact CA-OG 3.29Å; M311-S433 PolarHBondContact N-OG 2.68Å; K314-S433 PolarHBondContact NZ-O 3.17Å; T405-S433 VanDerWaalsContact CA-O 3.32Å; T405-S433 WeakPolarHBondContact CA-O 3.4Å; T405-S433 PolarHBondContact O-N 3.18Å; S433-D435 PolarHBondContact OG-N 2.83Å
434	D	97.1	Very high	96.6	Very high	61 Å²	61	31.5 Å²	31.5	33%	0.326	17%	0.167	S	C	.	.	B	Isolated β-bridge	trans	-106.8	52.6	170.7	-166.6	31.4	0	0	0	109.6	T405 N436 S437 L521	T405-D434 HydrophobicContact CG2-CB 3.89Å; D434-N436 PolarHBondContact O-N 2.7Å; D434-S437 WeakPolarHBondContact O-CB 3.26Å; D434-S437 PolarHBondContact O-N 3.43Å; D434-L521 HydrophobicContact CB-CD1 3.96Å; D434-L521 HydrophobicContact CB-CD2 3.89Å; D434-L521 HydrophobicContact CB-CG 4.34Å
435	D	97.6	Very high	96.6	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	-116.1	-178	-65.6	-4.7	0	0	0	112	F258 S259 T307 M311 K314 S433 S437	F258-D435 WeakPolarHBondContact CA-OD2 3.31Å; F258-D435 WeakPolarHBondContact CB-OD2 3.47Å; F258-D435 HydrophobicContact CD1-CB 4.24Å; F258-D435 WeakPolarHBondContact CD1-OD2 3.34Å; S259-D435 VanDerWaalsContact CB-OD1 3.29Å; S259-D435 WeakPolarHBondContact CB-OD1 3.39Å; S259-D435 PolarHBondContact N-OD2 2.99Å; S259-D435 VanDerWaalsContact OG-CG 3.31Å; S259-D435 PolarHBondContact OG-OD1 2.79Å; S259-D435 PolarHBondContact OG-OD2 3.42Å; T307-D435 WeakPolarHBondContact CG2-O 3.48Å; M311-D435 HydrophobicContact CE-CB 3.78Å; M311-D435 HydrophobicContact SD-CB 4.24Å; K314-D435 WeakPolarHBondContact CD-OD1 3.37Å; K314-D435 WeakPolarHBondContact CE-OD1 3.38Å; K314-D435 IonicContact NZ-OD1 2.71Å; K314-D435 PolarHBondContact NZ-OD1 2.89Å; S433-D435 PolarHBondContact OG-N 2.83Å; D435-S437 VanDerWaalsContact C-N 3.28Å; D435-S437 PolarHBondContact O-N 3.41Å
436	N	96.3	Very high	96.6	Very high	43 Å²	43	32.1 Å²	32.1	23%	0.23	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	5.6	-178.5	66.6	3.2	0	0	0	113.8	G257 W302 D434	G257-N436 WeakPolarHBondContact O-CB 3.48Å; G257-N436 VanDerWaalsContact O-CG 3.24Å; G257-N436 PolarHBondContact O-ND2 3.33Å; G257-N436 VanDerWaalsContact O-ND2 3.14Å; W302-N436 HydrophobicContact CD2-CB 3.9Å; W302-N436 HydrophobicContact CE3-CB 4.5Å; W302-N436 HydrophobicContact CG-CB 3.94Å; D434-N436 PolarHBondContact O-N 2.7Å
437	S	96.9	Very high	96.6	Very high	53 Å²	53	32.3 Å²	32.3	37%	0.371	17%	0.173	S	C	.	.	B	Isolated β-bridge	trans	-101.2	143.1	-177.4	-61.7	0	0	0	0	112.2	D434 D435	D434-S437 WeakPolarHBondContact O-CB 3.26Å; D434-S437 PolarHBondContact O-N 3.43Å; D435-S437 VanDerWaalsContact C-N 3.28Å; D435-S437 PolarHBondContact O-N 3.41Å
438	T	95.4	Very high	96.5	Very high	72 Å²	72	35 Å²	35	44%	0.442	19%	0.186	S	C	.	.			trans	-120.6	137.6	174.9	-60.9	0	0	0	0	108	T307	T307-T438 PolarHBondContact OG1-OG1 3.43Å
439	S	93.7	Very high	96.5	Very high	28 Å²	28	35.1 Å²	35.1	20%	0.196	19%	0.186	C	C	.	.			trans	-139.8	170.8	175.8	103.2	0	0	0	0	111.7	E16 R441 L521	E16-S439 VanDerWaalsContact OE2-CB 3.28Å; E16-S439 WeakPolarHBondContact OE2-CB 3.44Å; E16-S439 PolarHBondContact OE2-OG 3.32Å; S439-R441 PolarHBondContact O-N 3.22Å; S439-R441 WeakPolarHBondContact OG-CB 3.37Å; S439-R441 PolarHBondContact OG-N 2.91Å; S439-R441 VanDerWaalsContact OG-N 3.07Å; S439-L521 PolarHBondContact N-O 3.38Å
440	Q	91.8	Very high	96.4	Very high	181 Å²	181	39.5 Å²	39.5	85%	0.846	21%	0.205	S	C	*	.	S	Bend	trans	-83	6.5	175.7	-62.9	-63.8	-37.7	0	0	111.9	I442	Q440-I442 PolarHBondContact O-N 3.2Å
441	R	92.6	Very high	96.2	Very high	35 Å²	35	39.8 Å²	39.8	13%	0.132	21%	0.208	C	C	.	.			trans	-63.8	134.3	178.6	-165.8	179.8	80.9	-158.4	4.1	109.8	T405 N432 S439 D443 L521	T405-R441 PolarHBondContact OG1-NH2 2.87Å; N432-R441 PolarHBondContact OD1-NH2 3.32Å; S439-R441 PolarHBondContact O-N 3.22Å; S439-R441 WeakPolarHBondContact OG-CB 3.37Å; S439-R441 PolarHBondContact OG-N 2.91Å; S439-R441 VanDerWaalsContact OG-N 3.07Å; R441-D443 IonicContact CZ-OD2 3.98Å; R441-D443 IonicContact NE-OD1 3.96Å; R441-D443 PolarHBondContact NE-OD1 3.27Å; R441-D443 IonicContact NE-OD2 3.21Å; R441-D443 PolarHBondContact NE-OD2 3.16Å; R441-D443 IonicContact NH2-OD2 3.47Å; R441-D443 PolarHBondContact NH2-OD2 3.25Å; R441-L521 HydrophobicContact CB-CB 4.31Å; R441-L521 PolarHBondContact O-N 2.85Å
442	I	95.2	Very high	96	Very high	74 Å²	74	39.3 Å²	39.3	38%	0.379	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.3	172.3	-59.7	175.5	0	0	0	106.4	S18 Q440 K518	S18-I442 WeakPolarHBondContact CB-O 3.32Å; S18-I442 PolarHBondContact OG-O 3.3Å; Q440-I442 PolarHBondContact O-N 3.2Å; I442-K518 HydrophobicContact CG2-CB 3.69Å; I442-K518 HydrophobicContact CG2-CD 4.3Å; I442-K518 HydrophobicContact CG2-CG 4.31Å
443	D	94.9	Very high	95.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.3	179.9	-63.9	-47.8	0	0	0	109.8	G19 Y21 N432 R441 L519	G19-D443 PolarHBondContact N-OD1 2.93Å; G19-D443 WeakPolarHBondContact O-CA 3.38Å; Y21-D443 HydrophobicContact CD2-CB 4.11Å; Y21-D443 HydrophobicContact CE2-CB 3.92Å; N432-D443 PolarHBondContact ND2-OD2 3.17Å; N432-D443 PolarHBondContact OD1-OD2 3.42Å; R441-D443 IonicContact CZ-OD2 3.98Å; R441-D443 IonicContact NE-OD1 3.96Å; R441-D443 PolarHBondContact NE-OD1 3.27Å; R441-D443 IonicContact NE-OD2 3.21Å; R441-D443 PolarHBondContact NE-OD2 3.16Å; R441-D443 IonicContact NH2-OD2 3.47Å; R441-D443 PolarHBondContact NH2-OD2 3.25Å; D443-L519 PolarHBondContact N-O 3.43Å; D443-L519 PolarHBondContact O-N 3.1Å
444	D	95.9	Very high	95.2	Very high	80 Å²	80	48.4 Å²	48.4	43%	0.428	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	117.1	175.6	-73.9	-57.9	0	0	0	108.6	G19 A20 Y21 K518	G19-D444 PolarHBondContact O-N 2.98Å; A20-D444 CarbonylContact C-O 3.57Å; A20-D444 WeakPolarHBondContact CA-O 3.43Å; Y21-D444 PolarHBondContact N-O 3.4Å; D444-K518 WeakPolarHBondContact OD1-CE 3.29Å
445	V	96.6	Very high	94.9	Very high	1 Å²	1	48 Å²	48	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.4	-177.8	-178.9	0	0	0	0	110.2	Y21 I23 V447 K516 A517 L519	Y21-V445 HydrophobicContact CD2-CG2 4.37Å; Y21-V445 WeakPolarHBondContact O-CA 3.37Å; I23-V445 HydrophobicContact CD1-CG1 3.55Å; I23-V445 HydrophobicContact CG1-CG1 4.07Å; V445-V447 HydrophobicContact CG1-CG2 4.21Å; V445-K516 WeakPolarHBondContact O-CA 3.39Å; V445-A517 PolarHBondContact N-O 3.23Å; V445-A517 PolarHBondContact O-N 3.34Å; V445-L519 HydrophobicContact CB-CD1 4.07Å; V445-L519 HydrophobicContact CB-CG 4.14Å; V445-L519 HydrophobicContact CG1-CD1 4.37Å; V445-L519 HydrophobicContact CG2-CB 4.25Å; V445-L519 HydrophobicContact CG2-CD1 3.62Å; V445-L519 HydrophobicContact CG2-CG 3.78Å
446	T	97.6	Very high	94.6	Very high	30 Å²	30	56.1 Å²	56.1	18%	0.184	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118	170.3	-57.6	0	0	0	0	109.2	Y21 I23 E448 T514 L515 K516	Y21-T446 PolarHBondContact O-N 3.33Å; I23-T446 PolarHBondContact N-O 3.13Å; T446-E448 HydrophobicContact CG2-CG 4.23Å; T446-T514 HydrophobicContact CG2-CG2 3.74Å; T446-L515 CarbonylContact C-O 3.6Å; T446-L515 WeakPolarHBondContact CA-O 3.13Å; T446-K516 HydrophobicContact CG2-CG 4.27Å
447	V	97.9	Very high	94.5	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.024	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	118.3	173.6	-177.8	0	0	0	0	108.8	I23 V428 V430 V445 T514 L515	I23-V447 HydrophobicContact CB-CG2 4.42Å; I23-V447 CarbonylContact O-C 3.56Å; I23-V447 WeakPolarHBondContact O-CA 3.16Å; V428-V447 HydrophobicContact CG1-CG1 4.15Å; V430-V447 HydrophobicContact CG2-CG2 4.17Å; V445-V447 HydrophobicContact CG1-CG2 4.21Å; V447-T514 CarbonylContact O-C 3.58Å; V447-T514 VanDerWaalsContact O-CA 3.31Å; V447-T514 WeakPolarHBondContact O-CA 3.31Å; V447-L515 PolarHBondContact N-O 2.72Å; V447-L515 PolarHBondContact O-N 2.82Å
448	E	97.6	Very high	94.5	Very high	57 Å²	57	54.4 Å²	54.4	27%	0.266	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	98.3	174.9	-64.8	-175.2	-176.6	0	0	109.8	I23 T24 V25 T446 T514	I23-E448 PolarHBondContact O-N 3.13Å; T24-E448 CarbonylContact C-O 3.52Å; T24-E448 WeakPolarHBondContact CA-O 3.29Å; T24-E448 HydrophobicContact CG2-CB 4.34Å; V25-E448 PolarHBondContact N-O 2.82Å; T446-E448 HydrophobicContact CG2-CG 4.23Å; E448-T514 HydrophobicContact CG-CG2 4.25Å
449	L	97.8	Very high	94.6	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.1	175.8	173.3	63.4	0	0	0	109.7	V25 A27 V426 V428 L452 S512 L513 V529	V25-L449 HydrophobicContact CB-CD1 3.89Å; V25-L449 HydrophobicContact CG1-CD1 3.69Å; V25-L449 CarbonylContact O-C 3.38Å; V25-L449 WeakPolarHBondContact O-CA 3.49Å; A27-L449 HydrophobicContact CB-CD1 4.22Å; V426-L449 HydrophobicContact CG1-CD1 4.41Å; V426-L449 HydrophobicContact CG1-CD2 3.78Å; V426-L449 HydrophobicContact CG2-CD1 4.1Å; V428-L449 HydrophobicContact CG2-CD1 4.38Å; L449-L452 HydrophobicContact CD2-CD1 4.2Å; L449-L452 HydrophobicContact CD2-CD2 4.09Å; L449-L452 HydrophobicContact CG-CD1 4.24Å; L449-L452 HydrophobicContact CG-CD2 4.11Å; L449-L452 HydrophobicContact CG-CG 4.39Å; L449-S512 CarbonylContact O-C 3.57Å; L449-S512 WeakPolarHBondContact O-CA 3.47Å; L449-S512 WeakPolarHBondContact O-CB 3.45Å; L449-L513 HydrophobicContact CB-CB 4.31Å; L449-L513 HydrophobicContact CD2-CD2 4.41Å; L449-L513 PolarHBondContact N-O 3.1Å; L449-L513 PolarHBondContact O-N 3.24Å; L449-V529 HydrophobicContact CD2-CG2 3.71Å
450	K	96.8	Very high	94.8	Very high	93 Å²	93	51.2 Å²	51.2	40%	0.404	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	171.4	-179.9	-62.2	176.7	-174.9	168.7	0	111.5	V25 A27 D511	V25-K450 PolarHBondContact O-N 2.65Å; A27-K450 WeakPolarHBondContact CB-O 3.27Å; A27-K450 PolarHBondContact N-O 2.77Å; K450-D511 CarbonylContact C-O 3.55Å; K450-D511 WeakPolarHBondContact CA-O 3.49Å
451	G	94.9	Very high	95.1	Very high	6 Å²	6	42.8 Å²	42.8	6%	0.062	23%	0.225	C	C	.	.			trans	86.6	22.9	176.5	0	0	0	0	0	114.6	K28 D511	K28-G451 WeakPolarHBondContact CE-O 3.33Å; G451-D511 WeakPolarHBondContact CA-OD1 3.43Å; G451-D511 PolarHBondContact N-O 2.79Å; G451-D511 PolarHBondContact N-OD1 2.87Å; G451-D511 PolarHBondContact N-OD2 3.33Å
452	L	94.5	Very high	95.4	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	22%	0.224	C	C	.	.			trans	-90.9	-14	-173.3	-56.3	-177.1	0	0	0	114.4	W424 V426 L449 E454 Q455 L458 L507 D511 L513	W424-L452 HydrophobicContact CH2-CD2 3.66Å; W424-L452 HydrophobicContact CZ3-CD2 4.22Å; V426-L452 HydrophobicContact CG1-CD2 4.31Å; L449-L452 HydrophobicContact CD2-CD1 4.2Å; L449-L452 HydrophobicContact CD2-CD2 4.09Å; L449-L452 HydrophobicContact CG-CD1 4.24Å; L449-L452 HydrophobicContact CG-CD2 4.11Å; L449-L452 HydrophobicContact CG-CG 4.39Å; L452-E454 PolarHBondContact O-N 2.77Å; L452-Q455 PolarHBondContact O-N 2.81Å; L452-Q455 VanDerWaalsContact O-N 3.09Å; L452-L458 HydrophobicContact CB-CD1 3.84Å; L452-L458 HydrophobicContact CD1-CD1 4.49Å; L452-L507 HydrophobicContact CD1-CD2 3.77Å; L452-D511 WeakPolarHBondContact CB-O 3.19Å; L452-D511 PolarHBondContact N-O 2.81Å; L452-D511 PolarHBondContact N-OD1 3.22Å; L452-D511 VanDerWaalsContact N-OD1 3.11Å; L452-L513 HydrophobicContact CD1-CB 3.95Å
453	A	89.6	Confident	95.6	Very high	61 Å²	61	38.6 Å²	38.6	50%	0.504	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.7	-165.2	0	0	0	0	0	115.8	Q455 D511	A453-Q455 VanDerWaalsContact C-N 3.32Å; A453-D511 HydrophobicContact CB-CB 3.97Å; A453-D511 VanDerWaalsContact CB-OD1 3.26Å; A453-D511 WeakPolarHBondContact CB-OD1 3.29Å; A453-D511 PolarHBondContact N-OD1 3Å
454	E	88.9	Confident	95.7	Very high	130 Å²	130	39.2 Å²	39.2	61%	0.607	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-16	-179.4	-73	169.7	-156.7	0	0	113.1	K28 L452	K28-E454 WeakPolarHBondContact CE-OE1 3.48Å; K28-E454 IonicContact NZ-OE1 3.18Å; K28-E454 PolarHBondContact NZ-OE1 3Å; L452-E454 PolarHBondContact O-N 2.77Å
455	Q	91.6	Very high	95.8	Very high	51 Å²	51	35.4 Å²	35.4	24%	0.238	19%	0.188	C	C	.	.			trans	-94.3	150.8	-173.4	-53.8	-59	-27.3	0	0	111.5	W424 L452 A453 L458 A531	W424-Q455 HydrophobicContact CD2-CG 3.74Å; W424-Q455 HydrophobicContact CE3-CB 4.31Å; W424-Q455 HydrophobicContact CE3-CG 3.58Å; W424-Q455 HydrophobicContact CG-CG 4.3Å; W424-Q455 HydrophobicContact CH2-CG 4.29Å; W424-Q455 HydrophobicContact CZ2-CG 4.45Å; W424-Q455 HydrophobicContact CZ3-CG 3.87Å; L452-Q455 PolarHBondContact O-N 2.81Å; L452-Q455 VanDerWaalsContact O-N 3.09Å; A453-Q455 VanDerWaalsContact C-N 3.32Å; Q455-L458 HydrophobicContact CB-CD1 4.06Å; Q455-L458 HydrophobicContact CB-CD2 3.51Å; Q455-L458 HydrophobicContact CB-CG 3.87Å; Q455-L458 HydrophobicContact CG-CD2 4.36Å; Q455-A531 HydrophobicContact CB-CB 4.34Å
456	K	90.6	Very high	95.9	Very high	175 Å²	175	35.8 Å²	35.8	76%	0.761	19%	0.19	S	C	*	.	S	Bend	trans	-118.2	147.6	-176.1	-64.8	-179.2	-176.6	174	0	111.4	L458 W532	K456-L458 PolarHBondContact O-N 2.87Å; K456-W532 PolarHBondContact O-N 3.03Å
457	G	92.9	Very high	95.9	Very high	45 Å²	45	35.3 Å²	35.3	46%	0.464	19%	0.187	S	C	.	.	S	Bend	trans	62.7	29.4	175	0	0	0	0	0	113.9	V459 W615	G457-V459 PolarHBondContact O-N 2.74Å; G457-W615 PolarHBondContact O-NE1 2.93Å
458	L	97	Very high	95.8	Very high	16 Å²	16	40.9 Å²	40.9	8%	0.084	22%	0.216	C	C	.	.			trans	-58.6	133.6	-175.6	-70.6	180	0	0	0	111.9	W424 L452 Q455 K456 L507 V529 C530 A531	W424-L458 HydrophobicContact CE3-CD2 4.26Å; W424-L458 HydrophobicContact CZ3-CD2 4.04Å; L452-L458 HydrophobicContact CB-CD1 3.84Å; L452-L458 HydrophobicContact CD1-CD1 4.49Å; Q455-L458 HydrophobicContact CB-CD1 4.06Å; Q455-L458 HydrophobicContact CB-CD2 3.51Å; Q455-L458 HydrophobicContact CB-CG 3.87Å; Q455-L458 HydrophobicContact CG-CD2 4.36Å; K456-L458 PolarHBondContact O-N 2.87Å; L458-L507 HydrophobicContact CB-CB 3.98Å; L458-L507 HydrophobicContact CB-CD1 4.03Å; L458-L507 HydrophobicContact CB-CG 4.43Å; L458-L507 HydrophobicContact CD1-CD2 4.44Å; L458-L507 PolarHBondContact O-N 2.69Å; L458-V529 HydrophobicContact CD2-CG1 4.06Å; L458-C530 WeakPolarHBondContact CA-O 3.45Å; L458-A531 HydrophobicContact CD2-CB 4.06Å
459	V	97.7	Very high	95.5	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.03	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.4	166.3	-63.2	0	0	0	0	109.3	G457 P504 Q505 K506 V529 C530 Y614 W615	G457-V459 PolarHBondContact O-N 2.74Å; V459-P504 HydrophobicContact CB-CB 4.22Å; V459-P504 HydrophobicContact CG2-CB 4.39Å; V459-Q505 CarbonylContact C-O 3.58Å; V459-Q505 WeakPolarHBondContact CA-O 3.44Å; V459-K506 HydrophobicContact CG1-CG 4.37Å; V459-V529 CarbonylContact O-C 3.56Å; V459-V529 WeakPolarHBondContact O-CA 3.49Å; V459-C530 PolarHBondContact N-O 3.09Å; V459-C530 PolarHBondContact O-N 2.93Å; V459-Y614 HydrophobicContact CG2-CD2 4.05Å; V459-Y614 HydrophobicContact CG2-CG 4.33Å; V459-W615 HydrophobicContact CG2-CH2 4.12Å; V459-W615 HydrophobicContact CG2-CZ2 3.54Å
460	Y	98.3	Very high	95.4	Very high	28 Å²	28	40 Å²	40	11%	0.11	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	148.9	167.9	75.3	-74.2	0	0	0	111.8	T462 P504 Q505 L507 L513 L515 H528	Y460-T462 HydrophobicContact CD2-CG2 3.97Å; Y460-T462 HydrophobicContact CE2-CG2 4.04Å; Y460-P504 WeakPolarHBondContact O-CA 3.24Å; Y460-Q505 HydrophobicContact CD1-CB 3.85Å; Y460-Q505 WeakPolarHBondContact CD1-O 3.39Å; Y460-Q505 HydrophobicContact CE1-CB 3.41Å; Y460-Q505 VanDerWaalsContact CE1-CB 3.41Å; Y460-Q505 HydrophobicContact CE1-CG 4.26Å; Y460-Q505 PolarHBondContact N-O 3.14Å; Y460-Q505 PolarHBondContact O-N 3.29Å; Y460-Q505 VanDerWaalsContact OH-CD 3.23Å; Y460-Q505 PolarHBondContact OH-OE1 3.49Å; Y460-L507 HydrophobicContact CD1-CD1 3.48Å; Y460-L507 VanDerWaalsContact CD1-CD1 3.48Å; Y460-L507 HydrophobicContact CD1-CG 3.96Å; Y460-L507 HydrophobicContact CG-CD1 4.09Å; Y460-L507 VanDerWaalsContact N-CD1 3.28Å; Y460-L513 HydrophobicContact CD1-CD1 4.44Å; Y460-L513 HydrophobicContact CD2-CD2 4.37Å; Y460-L513 HydrophobicContact CE1-CD1 4.3Å; Y460-L513 HydrophobicContact CG-CD2 4.16Å; Y460-L515 HydrophobicContact CD2-CD1 4.09Å; Y460-L515 HydrophobicContact CE2-CD1 3.91Å; Y460-L515 HydrophobicContact CE2-CD2 3.74Å; Y460-L515 HydrophobicContact CE2-CG 4.46Å; Y460-H528 CarbonylContact C-O 3.57Å; Y460-H528 VanDerWaalsContact CA-O 3.25Å; Y460-H528 WeakPolarHBondContact CA-O 3.32Å
461	V	98.5	Very high	95.5	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.3	170.3	178	0	0	0	0	107.7	Y463 T501 D502 P504 H528 Y614	V461-Y463 HydrophobicContact CB-CE2 4.13Å; V461-Y463 HydrophobicContact CG1-CD2 4.09Å; V461-Y463 HydrophobicContact CG1-CE1 4.18Å; V461-Y463 HydrophobicContact CG1-CE2 3.54Å; V461-T501 HydrophobicContact CG1-CG2 3.5Å; V461-D502 WeakPolarHBondContact CA-O 3.42Å; V461-P504 HydrophobicContact CG2-CB 3.84Å; V461-P504 HydrophobicContact CG2-CG 3.67Å; V461-H528 PolarHBondContact N-O 3.25Å; V461-H528 PolarHBondContact O-N 2.95Å; V461-Y614 HydrophobicContact CB-CE1 4.41Å; V461-Y614 HydrophobicContact CB-CE2 4.43Å; V461-Y614 HydrophobicContact CG2-CD1 3.87Å; V461-Y614 HydrophobicContact CG2-CD2 4.09Å; V461-Y614 HydrophobicContact CG2-CE1 3.75Å; V461-Y614 HydrophobicContact CG2-CE2 3.97Å; V461-Y614 HydrophobicContact CG2-CG 4.04Å
462	T	98.6	Very high	95.7	Very high	17 Å²	17	36 Å²	36	10%	0.104	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.4	169.6	61.9	0	0	0	0	110.8	Y460 T501 D502 L515 L526 V527	Y460-T462 HydrophobicContact CD2-CG2 3.97Å; Y460-T462 HydrophobicContact CE2-CG2 4.04Å; T462-T501 CarbonylContact O-C 3.55Å; T462-T501 WeakPolarHBondContact O-CA 3.46Å; T462-D502 PolarHBondContact N-O 2.8Å; T462-D502 PolarHBondContact O-N 3.45Å; T462-D502 WeakPolarHBondContact OG1-CB 3.43Å; T462-L515 HydrophobicContact CG2-CD1 4.02Å; T462-L526 CarbonylContact C-O 3.47Å; T462-L526 VanDerWaalsContact CA-O 3.24Å; T462-L526 WeakPolarHBondContact CA-O 3.35Å; T462-V527 HydrophobicContact CG2-CG1 4.48Å; T462-V527 HydrophobicContact CG2-CG2 4.21Å
463	Y	98.6	Very high	95.9	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.02	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123.5	172.2	-56.1	-92.6	0	0	0	108.8	L382 L385 V461 P499 R500 T501 L525 L526 H528 I590 Y614	L382-Y463 HydrophobicContact CD2-CD1 4.28Å; L382-Y463 HydrophobicContact CD2-CD2 4.42Å; L382-Y463 HydrophobicContact CD2-CG 3.9Å; L385-Y463 HydrophobicContact CD1-CE2 4.07Å; V461-Y463 HydrophobicContact CB-CE2 4.13Å; V461-Y463 HydrophobicContact CG1-CD2 4.09Å; V461-Y463 HydrophobicContact CG1-CE1 4.18Å; V461-Y463 HydrophobicContact CG1-CE2 3.54Å; Y463-P499 HydrophobicContact CD1-CG 3.76Å; Y463-P499 HydrophobicContact CG-CG 4.41Å; Y463-R500 CarbonylContact C-O 3.55Å; Y463-R500 WeakPolarHBondContact CA-O 3.48Å; Y463-T501 HydrophobicContact CD1-CG2 3.92Å; Y463-T501 WeakPolarHBondContact CD1-OG1 3.23Å; Y463-T501 HydrophobicContact CE1-CG2 3.68Å; Y463-L525 CarbonylContact O-C 3.47Å; Y463-L525 WeakPolarHBondContact O-CA 3.44Å; Y463-L526 HydrophobicContact CD2-CB 4.34Å; Y463-L526 HydrophobicContact CD2-CD2 3.85Å; Y463-L526 HydrophobicContact CD2-CG 4.28Å; Y463-L526 HydrophobicContact CE2-CD2 4.39Å; Y463-L526 PolarHBondContact N-O 3.45Å; Y463-L526 PolarHBondContact O-N 3.45Å; Y463-H528 HydrophobicContact CE2-CB 4.3Å; Y463-I590 HydrophobicContact CE1-CG2 4.29Å; Y463-Y614 PolarHBondContact OH-OH 3.01Å
464	Y	98.6	Very high	96.3	Very high	12 Å²	12	37.9 Å²	37.9	5%	0.047	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.6	-175.9	179.4	-101.9	0	0	0	111.6	D466 V469 P499 R500 L519 S520 V524 L525	Y464-D466 HydrophobicContact CE1-CB 3.83Å; Y464-D466 VanDerWaalsContact CE1-CG 3.42Å; Y464-D466 WeakPolarHBondContact CE1-OD2 3.49Å; Y464-D466 WeakPolarHBondContact OH-CB 3.31Å; Y464-D466 PolarHBondContact OH-OD2 3Å; Y464-V469 HydrophobicContact CD1-CG2 4.26Å; Y464-V469 HydrophobicContact CE1-CG2 4.25Å; Y464-P499 WeakPolarHBondContact O-CA 3.46Å; Y464-R500 PolarHBondContact N-O 2.7Å; Y464-R500 PolarHBondContact O-N 2.97Å; Y464-L519 HydrophobicContact CD2-CD2 4.21Å; Y464-L519 HydrophobicContact CE2-CD2 3.7Å; Y464-S520 PolarHBondContact OH-N 3.01Å; Y464-V524 WeakPolarHBondContact CA-O 3.47Å; Y464-L525 HydrophobicContact CD2-CB 4.32Å; Y464-L525 HydrophobicContact CD2-CD1 4.41Å
465	L	98.4	Very high	96.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.4	175.4	-64.1	168.6	0	0	0	108.8	V306 T378 V379 L382 T470 P499 S523 V524	V306-L465 HydrophobicContact CG1-CB 4.06Å; V306-L465 HydrophobicContact CG2-CB 4.26Å; T378-L465 HydrophobicContact CG2-CD1 4.36Å; T378-L465 HydrophobicContact CG2-CD2 3.82Å; V379-L465 HydrophobicContact CB-CD1 4.1Å; V379-L465 HydrophobicContact CG2-CD1 4.08Å; L382-L465 HydrophobicContact CD1-CD1 3.59Å; L382-L465 HydrophobicContact CD1-CG 4.14Å; L382-L465 HydrophobicContact CG-CD1 4.49Å; L465-T470 HydrophobicContact CD2-CG2 3.56Å; L465-T470 VanDerWaalsContact CD2-OG1 3.31Å; L465-T470 WeakPolarHBondContact CD2-OG1 3.41Å; L465-P499 HydrophobicContact CD2-CB 3.73Å; L465-P499 HydrophobicContact CG-CB 4.07Å; L465-S523 CarbonylContact O-C 3.54Å; L465-S523 WeakPolarHBondContact O-CA 3.3Å; L465-S523 WeakPolarHBondContact O-CB 3.36Å; L465-V524 HydrophobicContact CB-CB 4.28Å; L465-V524 HydrophobicContact CD1-CB 4.32Å; L465-V524 PolarHBondContact N-O 3.27Å; L465-V524 PolarHBondContact O-N 3.43Å
466	D	98.3	Very high	97.1	Very high	9 Å²	9	31.7 Å²	31.7	5%	0.048	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	176.4	161	73.4	10.4	0	0	0	110	V306 Y464 N468 V469 T470	V306-D466 VanDerWaalsContact CG2-C 3.46Å; V306-D466 WeakPolarHBondContact CG2-O 3.37Å; Y464-D466 HydrophobicContact CE1-CB 3.83Å; Y464-D466 VanDerWaalsContact CE1-CG 3.42Å; Y464-D466 WeakPolarHBondContact CE1-OD2 3.49Å; Y464-D466 WeakPolarHBondContact OH-CB 3.31Å; Y464-D466 PolarHBondContact OH-OD2 3Å; D466-N468 PolarHBondContact O-N 3.11Å; D466-N468 WeakPolarHBondContact OD1-CA 3.31Å; D466-N468 WeakPolarHBondContact OD1-CB 3.19Å; D466-N468 PolarHBondContact OD1-N 3.48Å; D466-V469 PolarHBondContact O-N 3.04Å; D466-V469 WeakPolarHBondContact OD1-CB 3.16Å; D466-V469 WeakPolarHBondContact OD1-CG2 2.96Å; D466-V469 PolarHBondContact OD1-N 2.87Å; D466-T470 PolarHBondContact O-N 3.42Å
467	N	97.8	Very high	97.5	Very high	20 Å²	20	27.2 Å²	27.2	11%	0.107	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-6.9	-179.2	-77.2	-14	0	0	0	114.5	D305 V306 N471 Q474	D305-N467 VanDerWaalsContact CB-OD1 3.24Å; D305-N467 WeakPolarHBondContact CB-OD1 3.3Å; D305-N467 PolarHBondContact OD1-ND2 2.85Å; D305-N467 PolarHBondContact OD1-OD1 3.25Å; D305-N467 PolarHBondContact OD2-ND2 3.43Å; D305-N467 VanDerWaalsContact OD2-ND2 3.16Å; D305-N467 PolarHBondContact OD2-OD1 2.91Å; V306-N467 VanDerWaalsContact CB-OD1 3.26Å; V306-N467 WeakPolarHBondContact CB-OD1 3.42Å; V306-N467 PolarHBondContact N-OD1 2.98Å; N467-N471 VanDerWaalsContact O-CB 3.26Å; N467-N471 WeakPolarHBondContact O-CB 3.35Å; N467-N471 PolarHBondContact O-ND2 3.23Å; N467-N471 VanDerWaalsContact O-ND2 3.14Å; N467-Q474 PolarHBondContact O-OE1 2.98Å
468	N	94.9	Very high	97.7	Very high	121 Å²	121	29.1 Å²	29.1	65%	0.647	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-24.3	174.4	-60.3	-52	0	0	0	112.6	D466	D466-N468 PolarHBondContact O-N 3.11Å; D466-N468 WeakPolarHBondContact OD1-CA 3.31Å; D466-N468 WeakPolarHBondContact OD1-CB 3.19Å; D466-N468 PolarHBondContact OD1-N 3.48Å
469	V	92	Very high	97.8	Very high	42 Å²	42	29.9 Å²	29.9	26%	0.255	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-52.4	-174.5	173.4	0	0	0	0	111.6	Y464 D466 R500	Y464-V469 HydrophobicContact CD1-CG2 4.26Å; Y464-V469 HydrophobicContact CE1-CG2 4.25Å; D466-V469 PolarHBondContact O-N 3.04Å; D466-V469 WeakPolarHBondContact OD1-CB 3.16Å; D466-V469 WeakPolarHBondContact OD1-CG2 2.96Å; D466-V469 PolarHBondContact OD1-N 2.87Å; V469-R500 HydrophobicContact CG1-CB 3.6Å
470	T	95.2	Very high	97.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-119	71	-169.9	-51.9	0	0	0	0	109.3	P375 L465 D466 V496 E497 D498	P375-T470 HydrophobicContact CG-CG2 4.32Å; P375-T470 WeakPolarHBondContact CG-O 3.38Å; L465-T470 HydrophobicContact CD2-CG2 3.56Å; L465-T470 VanDerWaalsContact CD2-OG1 3.31Å; L465-T470 WeakPolarHBondContact CD2-OG1 3.41Å; D466-T470 PolarHBondContact O-N 3.42Å; T470-V496 WeakPolarHBondContact CA-O 3.21Å; T470-V496 WeakPolarHBondContact CG2-O 3.05Å; T470-E497 VanDerWaalsContact CG2-O 3.26Å; T470-E497 WeakPolarHBondContact CG2-O 3.42Å; T470-D498 PolarHBondContact OG1-O 3.16Å
471	N	98.1	Very high	97.8	Very high	12 Å²	12	33.4 Å²	33.4	6%	0.064	20%	0.196	C	C	.	.			trans	-137.7	76.7	-175.9	-161.7	-19.3	0	0	0	112.7	N467 H473 Q474 L475	N467-N471 VanDerWaalsContact O-CB 3.26Å; N467-N471 WeakPolarHBondContact O-CB 3.35Å; N467-N471 PolarHBondContact O-ND2 3.23Å; N467-N471 VanDerWaalsContact O-ND2 3.14Å; N471-H473 PolarHBondContact O-N 3.42Å; N471-H473 WeakPolarHBondContact OD1-CB 3.43Å; N471-H473 PolarHBondContact OD1-N 3.22Å; N471-Q474 HydrophobicContact CB-CB 4.1Å; N471-Q474 VanDerWaalsContact CG-CB 3.43Å; N471-Q474 WeakPolarHBondContact ND2-CB 3.43Å; N471-Q474 PolarHBondContact O-N 3.47Å; N471-Q474 PolarHBondContact OD1-N 3.49Å; N471-L475 PolarHBondContact O-N 3.39Å
472	P	98.6	Very high	97.8	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-58.4	-30.2	174.8	-21.1	30.8	0	0	0	112.9	F350 V372 L475 W476 L493 V496 E497	F350-P472 HydrophobicContact CE1-CB 3.86Å; F350-P472 HydrophobicContact CZ-CB 3.97Å; V372-P472 HydrophobicContact CG1-CB 3.74Å; V372-P472 HydrophobicContact CG1-CG 4.16Å; P472-L475 PolarHBondContact O-N 3.17Å; P472-W476 WeakPolarHBondContact O-CB 3.4Å; P472-W476 PolarHBondContact O-N 3.31Å; P472-L493 VanDerWaalsContact O-CD2 3.3Å; P472-L493 WeakPolarHBondContact O-CD2 3.48Å; P472-V496 HydrophobicContact CB-CG2 4.22Å; P472-V496 HydrophobicContact CG-CG2 4.09Å; P472-E497 HydrophobicContact CG-CG 4.32Å
473	H	98.7	Very high	97.8	Very high	7 Å²	7	37.8 Å²	37.8	3%	0.032	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-51.7	178.6	175.7	-131	0	0	0	112.2	E301 A304 F350 N471 L475 W476 Q477	E301-H473 IonicContact OE2-CE1 2.78Å; E301-H473 PolarHBondContact OE2-CE1 2.68Å; E301-H473 VanDerWaalsContact OE2-CE1 3.3Å; A304-H473 HydrophobicContact CB-CB 3.86Å; A304-H473 VanDerWaalsContact CB-ND1 3.29Å; A304-H473 WeakPolarHBondContact CB-ND1 3.42Å; F350-H473 HydrophobicContact CB-CB 3.94Å; F350-H473 VanDerWaalsContact CB-CD2 3.48Å; F350-H473 WeakPolarHBondContact CB-CD2 3.14Å; F350-H473 HydrophobicContact CD1-CB 3.83Å; F350-H473 HydrophobicContact CD2-CB 4.07Å; F350-H473 AromaticContact CD2-CD2 3.61Å; F350-H473 HydrophobicContact CE1-CB 4.36Å; F350-H473 HydrophobicContact CG-CB 3.69Å; F350-H473 AromaticContact CG-CD2 3.69Å; F350-H473 AromaticContact CG-CG 3.95Å; N471-H473 PolarHBondContact O-N 3.42Å; N471-H473 WeakPolarHBondContact OD1-CB 3.43Å; N471-H473 PolarHBondContact OD1-N 3.22Å; H473-L475 VanDerWaalsContact C-N 3.29Å; H473-L475 PolarHBondContact O-N 3.01Å; H473-W476 AromaticContact CD2-CE3 3.77Å; H473-W476 WeakPolarHBondContact O-CB 3.37Å; H473-W476 PolarHBondContact O-N 3.22Å; H473-Q477 PolarHBondContact CE1-NE2 2.84Å; H473-Q477 PolarHBondContact NE2-NE2 3.01Å; H473-Q477 WeakPolarHBondContact O-CG 3.42Å; H473-Q477 PolarHBondContact O-N 2.9Å
474	Q	98.3	Very high	97.8	Very high	96 Å²	96	41.5 Å²	41.5	45%	0.449	24%	0.237	S	C	.	.	H	α-helix	trans	-61.7	-39.2	177	-173.9	-174.8	39.8	0	0	111.4	N467 N471 Q477 S478	N467-Q474 PolarHBondContact O-OE1 2.98Å; N471-Q474 HydrophobicContact CB-CB 4.1Å; N471-Q474 VanDerWaalsContact CG-CB 3.43Å; N471-Q474 WeakPolarHBondContact ND2-CB 3.43Å; N471-Q474 PolarHBondContact O-N 3.47Å; N471-Q474 PolarHBondContact OD1-N 3.49Å; Q474-Q477 PolarHBondContact O-N 2.92Å; Q474-S478 PolarHBondContact O-N 2.96Å
475	L	98.7	Very high	97.8	Very high	31 Å²	31	41.1 Å²	41.1	16%	0.162	24%	0.236	C	C	.	.	H	α-helix	trans	-63.9	-42.2	175.9	-178.8	58.5	0	0	0	111.5	N471 P472 H473 S478 M479 R492 L493 V496	N471-L475 PolarHBondContact O-N 3.39Å; P472-L475 PolarHBondContact O-N 3.17Å; H473-L475 VanDerWaalsContact C-N 3.29Å; H473-L475 PolarHBondContact O-N 3.01Å; L475-S478 PolarHBondContact O-N 2.96Å; L475-S478 PolarHBondContact O-OG 3.18Å; L475-M479 HydrophobicContact CD1-CE 3.7Å; L475-M479 HydrophobicContact CD2-CE 4.05Å; L475-M479 HydrophobicContact CG-CE 3.57Å; L475-M479 WeakPolarHBondContact O-CG 3.41Å; L475-M479 PolarHBondContact O-N 2.72Å; L475-R492 HydrophobicContact CD2-CB 4.28Å; L475-R492 VanDerWaalsContact CD2-O 3.22Å; L475-R492 WeakPolarHBondContact CD2-O 3.32Å; L475-L493 HydrophobicContact CB-CD2 4.25Å; L475-L493 HydrophobicContact CD2-CD2 4.38Å; L475-L493 HydrophobicContact CG-CD2 4.16Å; L475-V496 HydrophobicContact CB-CG2 4.31Å; L475-V496 HydrophobicContact CD2-CG1 4.12Å; L475-V496 HydrophobicContact CD2-CG2 3.61Å
476	W	98.8	Very high	97.8	Very high	21 Å²	21	44.6 Å²	44.6	8%	0.08	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-44	173.5	171.1	77.7	0	0	0	112	P349 F350 F359 P472 H473 S478 M479 S481 P482 L493	P349-W476 HydrophobicContact CG-CH2 4.12Å; P349-W476 HydrophobicContact CG-CZ2 4.04Å; F350-W476 HydrophobicContact CD2-CD2 4.25Å; F350-W476 HydrophobicContact CD2-CE3 4.02Å; F350-W476 HydrophobicContact CE2-CB 3.8Å; F350-W476 HydrophobicContact CE2-CD2 4.07Å; F350-W476 HydrophobicContact CE2-CE3 4.26Å; F350-W476 AromaticContact CE2-CG 3.9Å; F350-W476 HydrophobicContact CE2-CG 3.9Å; F359-W476 AromaticContact CE1-CD1 3.97Å; F359-W476 AromaticContact CE1-NE1 3.57Å; F359-W476 AromaticContact CZ-CD1 4Å; F359-W476 HydrophobicContact CZ-CG 4.47Å; F359-W476 AromaticContact CZ-NE1 3.98Å; P472-W476 WeakPolarHBondContact O-CB 3.4Å; P472-W476 PolarHBondContact O-N 3.31Å; H473-W476 AromaticContact CD2-CE3 3.77Å; H473-W476 WeakPolarHBondContact O-CB 3.37Å; H473-W476 PolarHBondContact O-N 3.22Å; W476-S478 VanDerWaalsContact C-N 3.33Å; W476-S478 PolarHBondContact O-N 3.37Å; W476-M479 WeakPolarHBondContact O-CB 3.32Å; W476-M479 PolarHBondContact O-N 3.04Å; W476-M479 VanDerWaalsContact O-N 3.09Å; W476-S481 VanDerWaalsContact CE2-CA 3.41Å; W476-S481 VanDerWaalsContact CH2-CB 3.49Å; W476-S481 VanDerWaalsContact CZ2-CB 3.47Å; W476-S481 WeakPolarHBondContact CZ2-O 3.39Å; W476-S481 PolarHBondContact O-N 2.96Å; W476-S481 VanDerWaalsContact O-N 3.09Å; W476-P482 PolarHBondContact NE1-O 3.18Å; W476-L493 HydrophobicContact CB-CD2 3.67Å
477	Q	98.6	Very high	97.8	Very high	80 Å²	80	46 Å²	46	37%	0.374	27%	0.27	S	S	.	.	H	α-helix	trans	-59.8	-42.7	174.5	-70.5	177.4	-34.7	0	0	111.8	H473 Q474 M479 G480 S481	H473-Q477 PolarHBondContact CE1-NE2 2.84Å; H473-Q477 PolarHBondContact NE2-NE2 3.01Å; H473-Q477 WeakPolarHBondContact O-CG 3.42Å; H473-Q477 PolarHBondContact O-N 2.9Å; Q474-Q477 PolarHBondContact O-N 2.92Å; Q477-M479 PolarHBondContact O-N 3.33Å; Q477-M479 VanDerWaalsContact O-N 3.15Å; Q477-G480 PolarHBondContact O-N 2.88Å; Q477-S481 WeakPolarHBondContact CA-OG 3.47Å
478	S	98.4	Very high	97.9	Very high	85 Å²	85	50.8 Å²	50.8	59%	0.594	29%	0.292	S	S	*	.	H	α-helix	trans	-63.3	-20.6	177.5	81.5	0	0	0	0	113.6	Q474 L475 W476 G480	Q474-S478 PolarHBondContact O-N 2.96Å; L475-S478 PolarHBondContact O-N 2.96Å; L475-S478 PolarHBondContact O-OG 3.18Å; W476-S478 VanDerWaalsContact C-N 3.33Å; W476-S478 PolarHBondContact O-N 3.37Å; S478-G480 VanDerWaalsContact C-N 3.26Å
479	M	98.6	Very high	98	Very high	33 Å²	33	47 Å²	47	16%	0.163	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	6.4	173.9	-63.2	173.6	-170.9	0	0	113	L475 W476 Q477 P482 Q489 R492 L493	L475-M479 HydrophobicContact CD1-CE 3.7Å; L475-M479 HydrophobicContact CD2-CE 4.05Å; L475-M479 HydrophobicContact CG-CE 3.57Å; L475-M479 WeakPolarHBondContact O-CG 3.41Å; L475-M479 PolarHBondContact O-N 2.72Å; W476-M479 WeakPolarHBondContact O-CB 3.32Å; W476-M479 PolarHBondContact O-N 3.04Å; W476-M479 VanDerWaalsContact O-N 3.09Å; Q477-M479 PolarHBondContact O-N 3.33Å; Q477-M479 VanDerWaalsContact O-N 3.15Å; M479-P482 HydrophobicContact CB-CG 4.43Å; M479-Q489 HydrophobicContact SD-CB 3.83Å; M479-Q489 HydrophobicContact SD-CG 3.69Å; M479-R492 HydrophobicContact CE-CB 3.55Å; M479-R492 HydrophobicContact CE-CG 4.36Å; M479-L493 HydrophobicContact CE-CD2 4.49Å
480	G	98.4	Very high	98.4	Very high	62 Å²	62	45 Å²	45	64%	0.639	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	22.8	-175.8	0	0	0	0	0	113.8	Q477 S478	Q477-G480 PolarHBondContact O-N 2.88Å; S478-G480 VanDerWaalsContact C-N 3.26Å
481	S	98.5	Very high	98.5	Very high	45 Å²	45	49.9 Å²	49.9	32%	0.315	28%	0.277	S	S	.	.			trans	51.8	50.5	177.8	-60.4	0	0	0	0	114.3	W476 Q477 D483	W476-S481 VanDerWaalsContact CE2-CA 3.41Å; W476-S481 VanDerWaalsContact CH2-CB 3.49Å; W476-S481 VanDerWaalsContact CZ2-CB 3.47Å; W476-S481 WeakPolarHBondContact CZ2-O 3.39Å; W476-S481 PolarHBondContact O-N 2.96Å; W476-S481 VanDerWaalsContact O-N 3.09Å; Q477-S481 WeakPolarHBondContact CA-OG 3.47Å; S481-D483 PolarHBondContact O-N 2.76Å
482	P	98.5	Very high	98.5	Very high	25 Å²	25	55.1 Å²	55.1	16%	0.162	30%	0.295	C	S	.	.			trans	-62.3	131.3	-174.5	26.7	-35.4	0	0	0	111.7	W476 M479 F484 P485	W476-P482 PolarHBondContact NE1-O 3.18Å; M479-P482 HydrophobicContact CB-CG 4.43Å; P482-F484 VanDerWaalsContact C-N 3.27Å; P482-F484 PolarHBondContact O-N 2.9Å; P482-P485 HydrophobicContact CG-CB 4.34Å; P482-P485 HydrophobicContact CG-CG 4.18Å; P482-P485 WeakPolarHBondContact O-CD 3.09Å
483	D	98.3	Very high	98.5	Very high	87 Å²	87	55 Å²	55	47%	0.465	30%	0.295	S	S	.	.	S	Bend	trans	-63.3	-35.7	173.6	-69.2	-43.9	0	0	0	112	H346 S481 P485	H346-D483 IonicContact CE1-OD1 2.81Å; H346-D483 PolarHBondContact CE1-OD1 2.78Å; H346-D483 IonicContact ND1-OD1 3Å; H346-D483 PolarHBondContact ND1-OD1 2.61Å; S481-D483 PolarHBondContact O-N 2.76Å; D483-P485 WeakPolarHBondContact O-CD 3.21Å
484	F	98.6	Very high	98.5	Very high	82 Å²	82	55.9 Å²	55.9	36%	0.36	30%	0.298	S	S	.	.	S	Bend	trans	-123.5	78.2	179.9	-49.3	-47.2	0	0	0	110.3	Q360 V361 N362 N363 P482 T486	Q360-F484 WeakPolarHBondContact O-CD1 3.34Å; Q360-F484 VanDerWaalsContact O-CE1 3.26Å; Q360-F484 WeakPolarHBondContact O-CE1 3.42Å; V361-F484 HydrophobicContact CG1-CB 4.31Å; N362-F484 HydrophobicContact CB-CE1 3.95Å; N362-F484 HydrophobicContact CB-CZ 4.1Å; N363-F484 HydrophobicContact CB-CD2 3.91Å; N363-F484 HydrophobicContact CB-CE2 4.37Å; N363-F484 HydrophobicContact CB-CG 4.33Å; N363-F484 WeakPolarHBondContact ND2-CB 3.22Å; P482-F484 VanDerWaalsContact C-N 3.27Å; P482-F484 PolarHBondContact O-N 2.9Å; F484-T486 PolarHBondContact O-N 3.2Å
485	P	98.7	Very high	98.4	Very high	4 Å²	4	53.8 Å²	53.8	3%	0.026	29%	0.294	C	S	.	.			trans	-57.2	140.7	177	-18.2	28.2	0	0	0	111.4	F359 P482 D483 Q489 F490	F359-P485 HydrophobicContact CD1-CG 3.76Å; F359-P485 HydrophobicContact CE1-CG 3.85Å; F359-P485 HydrophobicContact CG-CG 4.41Å; P482-P485 HydrophobicContact CG-CB 4.34Å; P482-P485 HydrophobicContact CG-CG 4.18Å; P482-P485 WeakPolarHBondContact O-CD 3.09Å; D483-P485 WeakPolarHBondContact O-CD 3.21Å; P485-Q489 HydrophobicContact CB-CB 3.9Å; P485-F490 HydrophobicContact CB-CD1 4.33Å; P485-F490 HydrophobicContact CB-CD2 4.05Å; P485-F490 HydrophobicContact CB-CE1 4.05Å; P485-F490 HydrophobicContact CB-CE2 3.76Å; P485-F490 HydrophobicContact CB-CG 4.32Å; P485-F490 HydrophobicContact CB-CZ 3.75Å; P485-F490 HydrophobicContact CG-CE1 3.94Å; P485-F490 HydrophobicContact CG-CE2 4.19Å; P485-F490 HydrophobicContact CG-CZ 3.69Å; P485-F490 WeakPolarHBondContact O-CD2 3.36Å; P485-F490 WeakPolarHBondContact O-CE2 3.37Å
486	T	98.6	Very high	98.3	Very high	73 Å²	73	53.9 Å²	53.9	45%	0.448	30%	0.296	S	S	.	.			trans	-70.1	163.4	172.4	61.5	0	0	0	0	111.3	F484 Q488 Q489 F490	F484-T486 PolarHBondContact O-N 3.2Å; T486-Q488 PolarHBondContact O-N 3.22Å; T486-Q488 VanDerWaalsContact O-N 3.15Å; T486-Q489 WeakPolarHBondContact O-CA 3.36Å; T486-Q489 PolarHBondContact O-N 3.43Å; T486-Q489 WeakPolarHBondContact OG1-CG 3.37Å; T486-Q489 PolarHBondContact OG1-N 3.06Å; T486-Q489 PolarHBondContact OG1-OE1 2.92Å; T486-Q489 VanDerWaalsContact OG1-OE1 3.05Å; T486-F490 WeakPolarHBondContact O-CD2 3.42Å; T486-F490 PolarHBondContact O-N 3.35Å
487	A	98.4	Very high	98.2	Very high	40 Å²	40	53.6 Å²	53.6	33%	0.331	30%	0.295	S	S	.	.	H	α-helix	trans	-55.4	-33.1	173.2	0	0	0	0	0	112.9	R491	A487-R491 WeakPolarHBondContact O-CG 3.42Å; A487-R491 PolarHBondContact O-N 3.17Å; A487-R491 VanDerWaalsContact O-N 3.07Å
488	Q	98.4	Very high	98.1	Very high	119 Å²	119	51 Å²	51	56%	0.556	28%	0.284	S	S	*	.	H	α-helix	trans	-68.9	-42.3	173.6	-176.5	180	4.6	0	0	112.2	T486 R491 R492	T486-Q488 PolarHBondContact O-N 3.22Å; T486-Q488 VanDerWaalsContact O-N 3.15Å; Q488-R491 PolarHBondContact O-N 2.95Å; Q488-R492 WeakPolarHBondContact O-CG 3.29Å; Q488-R492 PolarHBondContact O-N 3.38Å; Q488-R492 VanDerWaalsContact O-N 3.12Å
489	Q	98.8	Very high	98	Very high	41 Å²	41	47.6 Å²	47.6	19%	0.192	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-43.3	176.4	-72.7	166.8	-52.5	0	0	110.8	M479 P485 T486 R491 R492 L493	M479-Q489 HydrophobicContact SD-CB 3.83Å; M479-Q489 HydrophobicContact SD-CG 3.69Å; P485-Q489 HydrophobicContact CB-CB 3.9Å; T486-Q489 WeakPolarHBondContact O-CA 3.36Å; T486-Q489 PolarHBondContact O-N 3.43Å; T486-Q489 WeakPolarHBondContact OG1-CG 3.37Å; T486-Q489 PolarHBondContact OG1-N 3.06Å; T486-Q489 PolarHBondContact OG1-OE1 2.92Å; T486-Q489 VanDerWaalsContact OG1-OE1 3.05Å; Q489-R491 PolarHBondContact O-N 3.31Å; Q489-R492 WeakPolarHBondContact O-CA 3.28Å; Q489-R492 WeakPolarHBondContact O-CB 3.28Å; Q489-R492 PolarHBondContact O-N 2.92Å; Q489-L493 WeakPolarHBondContact O-CG 3.4Å; Q489-L493 PolarHBondContact O-N 2.9Å
490	F	98.8	Very high	98	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-59.4	-42.7	173.7	-78.5	-59.7	0	0	0	113	F359 V361 Q370 V372 P485 T486 R492 L493 R494	F359-F490 HydrophobicContact CB-CE1 4.07Å; F359-F490 HydrophobicContact CB-CZ 3.77Å; F359-F490 AromaticContact CD2-CE1 3.85Å; F359-F490 HydrophobicContact CD2-CE1 3.85Å; F359-F490 HydrophobicContact CD2-CZ 4.4Å; F359-F490 HydrophobicContact CE2-CE1 4.47Å; F359-F490 AromaticContact CG-CE1 3.91Å; F359-F490 HydrophobicContact CG-CE1 3.91Å; F359-F490 AromaticContact CG-CZ 4Å; F359-F490 HydrophobicContact CG-CZ 4Å; V361-F490 HydrophobicContact CG2-CE2 3.86Å; V361-F490 HydrophobicContact CG2-CZ 3.9Å; Q370-F490 HydrophobicContact CB-CD1 4.23Å; Q370-F490 HydrophobicContact CB-CE1 3.63Å; Q370-F490 HydrophobicContact CB-CE2 4.04Å; Q370-F490 HydrophobicContact CB-CZ 3.52Å; Q370-F490 HydrophobicContact CG-CD2 4.13Å; Q370-F490 HydrophobicContact CG-CE1 4.17Å; Q370-F490 HydrophobicContact CG-CE2 3.65Å; Q370-F490 HydrophobicContact CG-CZ 3.68Å; V372-F490 HydrophobicContact CG2-CD1 4.17Å; V372-F490 HydrophobicContact CG2-CE1 4.35Å; P485-F490 HydrophobicContact CB-CD1 4.33Å; P485-F490 HydrophobicContact CB-CD2 4.05Å; P485-F490 HydrophobicContact CB-CE1 4.05Å; P485-F490 HydrophobicContact CB-CE2 3.76Å; P485-F490 HydrophobicContact CB-CG 4.32Å; P485-F490 HydrophobicContact CB-CZ 3.75Å; P485-F490 HydrophobicContact CG-CE1 3.94Å; P485-F490 HydrophobicContact CG-CE2 4.19Å; P485-F490 HydrophobicContact CG-CZ 3.69Å; P485-F490 WeakPolarHBondContact O-CD2 3.36Å; P485-F490 WeakPolarHBondContact O-CE2 3.37Å; T486-F490 WeakPolarHBondContact O-CD2 3.42Å; T486-F490 PolarHBondContact O-N 3.35Å; F490-R492 PolarHBondContact O-N 3.36Å; F490-L493 HydrophobicContact CD1-CD1 4.18Å; F490-L493 PolarHBondContact O-N 3.35Å; F490-R494 WeakPolarHBondContact O-CG 3.25Å; F490-R494 PolarHBondContact O-N 2.95Å
491	R	98.2	Very high	97.9	Very high	101 Å²	101	51.9 Å²	51.9	38%	0.381	26%	0.262	S	S	.	.	H	α-helix	trans	-57.4	-38.9	173.1	-77.8	-175.1	-72.4	130.5	-5.9	112.4	A487 Q488 Q489 S495 S597	A487-R491 WeakPolarHBondContact O-CG 3.42Å; A487-R491 PolarHBondContact O-N 3.17Å; A487-R491 VanDerWaalsContact O-N 3.07Å; Q488-R491 PolarHBondContact O-N 2.95Å; Q489-R491 PolarHBondContact O-N 3.31Å; R491-S495 PolarHBondContact O-N 3.06Å; R491-S495 VanDerWaalsContact O-N 3.13Å; R491-S597 WeakPolarHBondContact CD-O 3.36Å
492	R	98.1	Very high	97.8	Very high	122 Å²	122	52.4 Å²	52.4	46%	0.46	26%	0.261	S	S	.	.	H	α-helix	trans	-69.2	-43.1	175.9	-69.7	179.4	66.6	-167	-2	111.9	L475 M479 Q488 Q489 F490 R494 S495	L475-R492 HydrophobicContact CD2-CB 4.28Å; L475-R492 VanDerWaalsContact CD2-O 3.22Å; L475-R492 WeakPolarHBondContact CD2-O 3.32Å; M479-R492 HydrophobicContact CE-CB 3.55Å; M479-R492 HydrophobicContact CE-CG 4.36Å; Q488-R492 WeakPolarHBondContact O-CG 3.29Å; Q488-R492 PolarHBondContact O-N 3.38Å; Q488-R492 VanDerWaalsContact O-N 3.12Å; Q489-R492 WeakPolarHBondContact O-CA 3.28Å; Q489-R492 WeakPolarHBondContact O-CB 3.28Å; Q489-R492 PolarHBondContact O-N 2.92Å; F490-R492 PolarHBondContact O-N 3.36Å; R492-R494 VanDerWaalsContact C-N 3.32Å; R492-R494 PolarHBondContact O-N 3.38Å; R492-S495 PolarHBondContact O-N 3.23Å; R492-S495 PolarHBondContact O-OG 3.11Å
493	L	98.5	Very high	97.6	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-44	175.7	-65.5	174.7	0	0	0	111.5	V372 P472 L475 W476 M479 Q489 F490 S495 V496	V372-L493 HydrophobicContact CG1-CB 4.37Å; V372-L493 HydrophobicContact CG2-CB 4.31Å; V372-L493 HydrophobicContact CG2-CD1 4.36Å; P472-L493 VanDerWaalsContact O-CD2 3.3Å; P472-L493 WeakPolarHBondContact O-CD2 3.48Å; L475-L493 HydrophobicContact CB-CD2 4.25Å; L475-L493 HydrophobicContact CD2-CD2 4.38Å; L475-L493 HydrophobicContact CG-CD2 4.16Å; W476-L493 HydrophobicContact CB-CD2 3.67Å; M479-L493 HydrophobicContact CE-CD2 4.49Å; Q489-L493 WeakPolarHBondContact O-CG 3.4Å; Q489-L493 PolarHBondContact O-N 2.9Å; F490-L493 HydrophobicContact CD1-CD1 4.18Å; F490-L493 PolarHBondContact O-N 3.35Å; L493-S495 VanDerWaalsContact C-N 3.3Å; L493-S495 PolarHBondContact O-N 3.06Å; L493-V496 WeakPolarHBondContact O-CG2 3.34Å; L493-V496 PolarHBondContact O-N 3.27Å
494	R	97.9	Very high	97.5	Very high	24 Å²	24	50.7 Å²	50.7	9%	0.091	26%	0.262	C	S	.	.	H	α-helix	trans	-65.8	-31	177.8	-67.9	-173.5	179.5	111.5	8.8	113.6	L371 F490 R492 V496 E497	L371-R494 PolarHBondContact O-NH2 2.93Å; F490-R494 WeakPolarHBondContact O-CG 3.25Å; F490-R494 PolarHBondContact O-N 2.95Å; R492-R494 VanDerWaalsContact C-N 3.32Å; R492-R494 PolarHBondContact O-N 3.38Å; R494-V496 PolarHBondContact O-N 2.81Å; R494-E497 WeakPolarHBondContact O-CB 3.32Å; R494-E497 PolarHBondContact O-N 2.99Å; R494-E497 VanDerWaalsContact O-N 3.15Å
495	S	96.3	Very high	97.5	Very high	52 Å²	52	51 Å²	51	36%	0.364	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-6.7	178.9	71.2	0	0	0	0	115.2	R491 R492 L493 Q587	R491-S495 PolarHBondContact O-N 3.06Å; R491-S495 VanDerWaalsContact O-N 3.13Å; R492-S495 PolarHBondContact O-N 3.23Å; R492-S495 PolarHBondContact O-OG 3.11Å; L493-S495 VanDerWaalsContact C-N 3.3Å; L493-S495 PolarHBondContact O-N 3.06Å; S495-Q587 PolarHBondContact O-NE2 3.32Å; S495-Q587 VanDerWaalsContact O-NE2 3.11Å; S495-Q587 PolarHBondContact O-OE1 2.87Å
496	V	96.9	Very high	97.3	Very high	34 Å²	34	59.7 Å²	59.7	21%	0.206	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	21.7	177	-60.4	0	0	0	0	112.3	T470 P472 L475 L493 R494	T470-V496 WeakPolarHBondContact CA-O 3.21Å; T470-V496 WeakPolarHBondContact CG2-O 3.05Å; P472-V496 HydrophobicContact CB-CG2 4.22Å; P472-V496 HydrophobicContact CG-CG2 4.09Å; L475-V496 HydrophobicContact CB-CG2 4.31Å; L475-V496 HydrophobicContact CD2-CG1 4.12Å; L475-V496 HydrophobicContact CD2-CG2 3.61Å; L493-V496 WeakPolarHBondContact O-CG2 3.34Å; L493-V496 PolarHBondContact O-N 3.27Å; R494-V496 PolarHBondContact O-N 2.81Å
497	E	97.8	Very high	97	Very high	15 Å²	15	57.2 Å²	57.2	7%	0.07	29%	0.286	C	S	.	.	S	Bend	trans	-80.4	-32.9	173.3	-73	176	158.6	0	0	112.8	V372 R373 T378 T470 P472 R494	V372-E497 WeakPolarHBondContact CA-OE1 3.35Å; V372-E497 HydrophobicContact CG1-CG 4.17Å; V372-E497 WeakPolarHBondContact CG1-OE1 3.31Å; R373-E497 HydrophobicContact CB-CB 4.31Å; R373-E497 HydrophobicContact CB-CG 4.02Å; R373-E497 PolarHBondContact N-OE1 2.66Å; R373-E497 PolarHBondContact NH1-O 3.09Å; T378-E497 PolarHBondContact OG1-O 3.22Å; T470-E497 VanDerWaalsContact CG2-O 3.26Å; T470-E497 WeakPolarHBondContact CG2-O 3.42Å; P472-E497 HydrophobicContact CG-CG 4.32Å; R494-E497 WeakPolarHBondContact O-CB 3.32Å; R494-E497 PolarHBondContact O-N 2.99Å; R494-E497 VanDerWaalsContact O-N 3.15Å
498	D	95.9	Very high	96.2	Very high	26 Å²	26	60.6 Å²	60.6	14%	0.139	30%	0.304	C	S	.	.	S	Bend	trans	-86.7	155	-175.7	-77.4	-50.2	0	0	0	112.6	R373 T470	R373-D498 IonicContact CZ-OD1 3.97Å; R373-D498 IonicContact NH1-OD1 3.78Å; R373-D498 PolarHBondContact NH1-OD1 2.85Å; R373-D498 VanDerWaalsContact NH1-OD1 3.12Å; R373-D498 VanDerWaalsContact NH2-CG 3.28Å; R373-D498 IonicContact NH2-OD1 3.37Å; R373-D498 PolarHBondContact NH2-OD1 2.96Å; R373-D498 IonicContact NH2-OD2 3.2Å; R373-D498 PolarHBondContact NH2-OD2 3.45Å; T470-D498 PolarHBondContact OG1-O 3.16Å
499	P	96.7	Very high	95.2	Very high	12 Å²	12	61.6 Å²	61.6	8%	0.078	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-65.9	153.7	171.5	30.4	-36.7	0	0	0	111.2	L382 Y463 Y464 L465 T501	L382-P499 HydrophobicContact CD2-CG 4.44Å; Y463-P499 HydrophobicContact CD1-CG 3.76Å; Y463-P499 HydrophobicContact CG-CG 4.41Å; Y464-P499 WeakPolarHBondContact O-CA 3.46Å; L465-P499 HydrophobicContact CD2-CB 3.73Å; L465-P499 HydrophobicContact CG-CB 4.07Å; P499-T501 PolarHBondContact O-N 3.21Å; P499-T501 VanDerWaalsContact O-N 3.17Å; P499-T501 PolarHBondContact O-OG1 3.2Å
500	R	96.8	Very high	94.6	Very high	121 Å²	121	61.6 Å²	61.6	46%	0.457	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	121.8	162.6	-174.9	-175.9	83.6	-148.8	-2.8	107.8	Y463 Y464 V469 D502	Y463-R500 CarbonylContact C-O 3.55Å; Y463-R500 WeakPolarHBondContact CA-O 3.48Å; Y464-R500 PolarHBondContact N-O 2.7Å; Y464-R500 PolarHBondContact O-N 2.97Å; V469-R500 HydrophobicContact CG1-CB 3.6Å; R500-D502 IonicContact CZ-OD2 3.78Å; R500-D502 IonicContact NE-OD1 3.69Å; R500-D502 IonicContact NE-OD2 2.7Å; R500-D502 PolarHBondContact NE-OD2 3.19Å; R500-D502 IonicContact NH2-OD2 3.51Å; R500-D502 PolarHBondContact NH2-OD2 2.96Å
501	T	97.1	Very high	94.1	Very high	64 Å²	64	64.7 Å²	64.7	39%	0.393	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.7	-179.1	-55.7	0	0	0	0	109.2	V461 T462 Y463 P499	V461-T501 HydrophobicContact CG1-CG2 3.5Å; T462-T501 CarbonylContact O-C 3.55Å; T462-T501 WeakPolarHBondContact O-CA 3.46Å; Y463-T501 HydrophobicContact CD1-CG2 3.92Å; Y463-T501 WeakPolarHBondContact CD1-OG1 3.23Å; Y463-T501 HydrophobicContact CE1-CG2 3.68Å; P499-T501 PolarHBondContact O-N 3.21Å; P499-T501 VanDerWaalsContact O-N 3.17Å; P499-T501 PolarHBondContact O-OG1 3.2Å
502	D	96.7	Very high	93.9	Very high	56 Å²	56	63.5 Å²	63.5	30%	0.299	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.4	175.2	-58.6	-60.8	0	0	0	109.9	V461 T462 R500	V461-D502 WeakPolarHBondContact CA-O 3.42Å; T462-D502 PolarHBondContact N-O 2.8Å; T462-D502 PolarHBondContact O-N 3.45Å; T462-D502 WeakPolarHBondContact OG1-CB 3.43Å; R500-D502 IonicContact CZ-OD2 3.78Å; R500-D502 IonicContact NE-OD1 3.69Å; R500-D502 IonicContact NE-OD2 2.7Å; R500-D502 PolarHBondContact NE-OD2 3.19Å; R500-D502 IonicContact NH2-OD2 3.51Å; R500-D502 PolarHBondContact NH2-OD2 2.96Å
503	G	94.6	Very high	93.8	Very high	37 Å²	37	58.6 Å²	58.6	38%	0.381	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	101.5	-167.7	-173.6	0	0	0	0	0	113.1
504	P	96.7	Very high	93.7	Very high	40 Å²	40	62.3 Å²	62.3	26%	0.26	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-66.8	135	5.4	-21.1	34.7	0	0	0	114.1	V459 Y460 V461 Y614	V459-P504 HydrophobicContact CB-CB 4.22Å; V459-P504 HydrophobicContact CG2-CB 4.39Å; Y460-P504 WeakPolarHBondContact O-CA 3.24Å; V461-P504 HydrophobicContact CG2-CB 3.84Å; V461-P504 HydrophobicContact CG2-CG 3.67Å; P504-Y614 VanDerWaalsContact CB-O 3.3Å; P504-Y614 WeakPolarHBondContact CB-O 3.27Å; P504-Y614 HydrophobicContact CG-CD1 4.01Å; P504-Y614 HydrophobicContact CG-CG 4.08Å; P504-Y614 WeakPolarHBondContact CG-O 3.26Å
505	Q	96.9	Very high	93.6	Very high	89 Å²	89	62.5 Å²	62.5	42%	0.416	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.5	175.8	-63.1	-171.7	29.5	0	0	110.2	V459 Y460 L507	V459-Q505 CarbonylContact C-O 3.58Å; V459-Q505 WeakPolarHBondContact CA-O 3.44Å; Y460-Q505 HydrophobicContact CD1-CB 3.85Å; Y460-Q505 WeakPolarHBondContact CD1-O 3.39Å; Y460-Q505 HydrophobicContact CE1-CB 3.41Å; Y460-Q505 VanDerWaalsContact CE1-CB 3.41Å; Y460-Q505 HydrophobicContact CE1-CG 4.26Å; Y460-Q505 PolarHBondContact N-O 3.14Å; Y460-Q505 PolarHBondContact O-N 3.29Å; Y460-Q505 VanDerWaalsContact OH-CD 3.23Å; Y460-Q505 PolarHBondContact OH-OE1 3.49Å; Q505-L507 PolarHBondContact O-N 3.43Å
506	K	95.6	Very high	93.7	Very high	185 Å²	185	68.4 Å²	68.4	80%	0.804	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	131.3	175.9	-67.5	-177.7	179.1	-180	0	110.1	V459	V459-K506 HydrophobicContact CG1-CG 4.37Å
507	L	92.3	Very high	93.7	Very high	22 Å²	22	68 Å²	68	12%	0.115	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-84.6	129.3	167.5	-72.2	82.5	0	0	0	108.7	L452 L458 Y460 Q505 L513 V529	L452-L507 HydrophobicContact CD1-CD2 3.77Å; L458-L507 HydrophobicContact CB-CB 3.98Å; L458-L507 HydrophobicContact CB-CD1 4.03Å; L458-L507 HydrophobicContact CB-CG 4.43Å; L458-L507 HydrophobicContact CD1-CD2 4.44Å; L458-L507 PolarHBondContact O-N 2.69Å; Y460-L507 HydrophobicContact CD1-CD1 3.48Å; Y460-L507 VanDerWaalsContact CD1-CD1 3.48Å; Y460-L507 HydrophobicContact CD1-CG 3.96Å; Y460-L507 HydrophobicContact CG-CD1 4.09Å; Y460-L507 VanDerWaalsContact N-CD1 3.28Å; Q505-L507 PolarHBondContact O-N 3.43Å; L507-L513 HydrophobicContact CD2-CB 4Å; L507-L513 HydrophobicContact CD2-CD1 4.27Å; L507-L513 HydrophobicContact CD2-CD2 4.2Å; L507-L513 HydrophobicContact CD2-CG 4.38Å; L507-V529 HydrophobicContact CD1-CG1 4.19Å; L507-V529 HydrophobicContact CD2-CG1 4.27Å
508	P	81.2	Confident	93.6	Very high	110 Å²	110	74.1 Å²	74.1	71%	0.714	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-63.5	155.8	169.7	28.4	-33	0	0	0	110.1	G510	P508-G510 PolarHBondContact O-N 2.95Å
509	P	78.3	Confident	93.6	Very high	141 Å²	141	72.9 Å²	72.9	92%	0.916	40%	0.403	S	S	*	.	S	Bend	trans	-54.2	125.3	172.9	-23.8	33.5	0	0	0	110.8
510	G	85.4	Confident	93.7	Very high	40 Å²	40	73.2 Å²	73.2	41%	0.412	41%	0.405	S	S	.	.	S	Bend	trans	173.2	168.3	-175.5	0	0	0	0	0	110.3	P508	P508-G510 PolarHBondContact O-N 2.95Å
511	D	88.7	Confident	93.7	Very high	68 Å²	68	67.5 Å²	67.5	36%	0.364	38%	0.384	S	S	.	.	S	Bend	trans	-91.6	-14	179.7	-166.2	54.8	0	0	0	113.3	K450 G451 L452 A453	K450-D511 CarbonylContact C-O 3.55Å; K450-D511 WeakPolarHBondContact CA-O 3.49Å; G451-D511 WeakPolarHBondContact CA-OD1 3.43Å; G451-D511 PolarHBondContact N-O 2.79Å; G451-D511 PolarHBondContact N-OD1 2.87Å; G451-D511 PolarHBondContact N-OD2 3.33Å; L452-D511 WeakPolarHBondContact CB-O 3.19Å; L452-D511 PolarHBondContact N-O 2.81Å; L452-D511 PolarHBondContact N-OD1 3.22Å; L452-D511 VanDerWaalsContact N-OD1 3.11Å; A453-D511 HydrophobicContact CB-CB 3.97Å; A453-D511 VanDerWaalsContact CB-OD1 3.26Å; A453-D511 WeakPolarHBondContact CB-OD1 3.29Å; A453-D511 PolarHBondContact N-OD1 3Å
512	S	93.3	Very high	93.7	Very high	75 Å²	75	64.6 Å²	64.6	52%	0.524	37%	0.366	S	S	.	.			trans	-134.8	146.5	-169	61.8	0	0	0	0	114.3	L449	L449-S512 CarbonylContact O-C 3.57Å; L449-S512 WeakPolarHBondContact O-CA 3.47Å; L449-S512 WeakPolarHBondContact O-CB 3.45Å
513	L	95.7	Very high	93.8	Very high	19 Å²	19	62 Å²	62	10%	0.099	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.7	166.8	172.8	66.4	0	0	0	108.5	L449 L452 Y460 L507 L515 V527 V529	L449-L513 HydrophobicContact CB-CB 4.31Å; L449-L513 HydrophobicContact CD2-CD2 4.41Å; L449-L513 PolarHBondContact N-O 3.1Å; L449-L513 PolarHBondContact O-N 3.24Å; L452-L513 HydrophobicContact CD1-CB 3.95Å; Y460-L513 HydrophobicContact CD1-CD1 4.44Å; Y460-L513 HydrophobicContact CD2-CD2 4.37Å; Y460-L513 HydrophobicContact CE1-CD1 4.3Å; Y460-L513 HydrophobicContact CG-CD2 4.16Å; L507-L513 HydrophobicContact CD2-CB 4Å; L507-L513 HydrophobicContact CD2-CD1 4.27Å; L507-L513 HydrophobicContact CD2-CD2 4.2Å; L507-L513 HydrophobicContact CD2-CG 4.38Å; L513-L515 HydrophobicContact CD1-CD2 4.03Å; L513-L515 HydrophobicContact CD1-CG 4.1Å; L513-L515 HydrophobicContact CD2-CD1 3.99Å; L513-L515 HydrophobicContact CD2-CG 4.2Å; L513-L515 HydrophobicContact CG-CD1 4.37Å; L513-L515 HydrophobicContact CG-CD2 4.5Å; L513-L515 HydrophobicContact CG-CG 4.02Å; L513-V527 HydrophobicContact CD2-CG1 4.09Å; L513-V529 HydrophobicContact CD2-CG2 4.08Å
514	T	96.9	Very high	94	Very high	78 Å²	78	60.2 Å²	60.2	48%	0.479	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.8	172.6	-56	0	0	0	0	109.5	T446 V447 E448	T446-T514 HydrophobicContact CG2-CG2 3.74Å; V447-T514 CarbonylContact O-C 3.58Å; V447-T514 VanDerWaalsContact O-CA 3.31Å; V447-T514 WeakPolarHBondContact O-CA 3.31Å; E448-T514 HydrophobicContact CG-CG2 4.25Å
515	L	96.9	Very high	94.1	Very high	28 Å²	28	58.8 Å²	58.8	15%	0.147	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.3	176.8	-65.8	176.8	0	0	0	110	T446 V447 Y460 T462 L513 V527	T446-L515 CarbonylContact C-O 3.6Å; T446-L515 WeakPolarHBondContact CA-O 3.13Å; V447-L515 PolarHBondContact N-O 2.72Å; V447-L515 PolarHBondContact O-N 2.82Å; Y460-L515 HydrophobicContact CD2-CD1 4.09Å; Y460-L515 HydrophobicContact CE2-CD1 3.91Å; Y460-L515 HydrophobicContact CE2-CD2 3.74Å; Y460-L515 HydrophobicContact CE2-CG 4.46Å; T462-L515 HydrophobicContact CG2-CD1 4.02Å; L513-L515 HydrophobicContact CD1-CD2 4.03Å; L513-L515 HydrophobicContact CD1-CG 4.1Å; L513-L515 HydrophobicContact CD2-CD1 3.99Å; L513-L515 HydrophobicContact CD2-CG 4.2Å; L513-L515 HydrophobicContact CG-CD1 4.37Å; L513-L515 HydrophobicContact CG-CD2 4.5Å; L513-L515 HydrophobicContact CG-CG 4.02Å; L515-V527 HydrophobicContact CD1-CB 4.39Å; L515-V527 HydrophobicContact CD1-CG1 3.66Å; L515-V527 HydrophobicContact CD1-CG2 3.77Å
516	K	97.1	Very high	94.2	Very high	177 Å²	177	54.5 Å²	54.5	77%	0.77	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.9	171.1	-64.1	-175.2	179.1	-176.1	0	108.4	V445 T446	V445-K516 WeakPolarHBondContact O-CA 3.39Å; T446-K516 HydrophobicContact CG2-CG 4.27Å
517	A	96.4	Very high	94.4	Very high	25 Å²	25	45.8 Å²	45.8	21%	0.207	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	149.7	-179.9	0	0	0	0	0	110.2	V445 L519 L525	V445-A517 PolarHBondContact N-O 3.23Å; V445-A517 PolarHBondContact O-N 3.34Å; A517-L519 HydrophobicContact CB-CD2 4.01Å; A517-L525 HydrophobicContact CB-CD2 3.68Å
518	K	96.5	Very high	94.7	Very high	143 Å²	143	44.8 Å²	44.8	62%	0.622	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	115.2	169	-71	-165.9	173.2	-161.9	0	107.4	I442 D444	I442-K518 HydrophobicContact CG2-CB 3.69Å; I442-K518 HydrophobicContact CG2-CD 4.3Å; I442-K518 HydrophobicContact CG2-CG 4.31Å; D444-K518 WeakPolarHBondContact OD1-CE 3.29Å
519	L	97.1	Very high	95.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	111.9	-175.2	-62.8	-164.2	0	0	0	109.4	V430 N432 D443 V445 Y464 A517 S523 L525	V430-L519 HydrophobicContact CB-CD1 4.46Å; V430-L519 HydrophobicContact CG1-CD1 3.68Å; N432-L519 HydrophobicContact CB-CB 4.21Å; N432-L519 PolarHBondContact ND2-O 3.34Å; N432-L519 VanDerWaalsContact ND2-O 3.13Å; D443-L519 PolarHBondContact N-O 3.43Å; D443-L519 PolarHBondContact O-N 3.1Å; V445-L519 HydrophobicContact CB-CD1 4.07Å; V445-L519 HydrophobicContact CB-CG 4.14Å; V445-L519 HydrophobicContact CG1-CD1 4.37Å; V445-L519 HydrophobicContact CG2-CB 4.25Å; V445-L519 HydrophobicContact CG2-CD1 3.62Å; V445-L519 HydrophobicContact CG2-CG 3.78Å; Y464-L519 HydrophobicContact CD2-CD2 4.21Å; Y464-L519 HydrophobicContact CE2-CD2 3.7Å; A517-L519 HydrophobicContact CB-CD2 4.01Å; L519-S523 WeakPolarHBondContact CB-OG 3.39Å; L519-L525 HydrophobicContact CD2-CB 3.96Å; L519-L525 HydrophobicContact CD2-CD2 4.1Å
520	S	97.3	Very high	96.5	Very high	19 Å²	19	32.8 Å²	32.8	13%	0.133	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	158.3	170.9	-68	0	0	0	0	111.5	N432 Y464 P522 S523	N432-S520 PolarHBondContact ND2-O 3.31Å; Y464-S520 PolarHBondContact OH-N 3.01Å; S520-P522 CarbonylContact O-C 3.56Å; S520-S523 PolarHBondContact N-OG 3.21Å; S520-S523 WeakPolarHBondContact O-CB 3.32Å; S520-S523 PolarHBondContact O-N 3.26Å; S520-S523 PolarHBondContact O-OG 3.01Å
521	L	96.9	Very high	97	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	17%	0.166	C	C	.	.	S	Bend	trans	-103.9	101.3	171	-176.2	67.5	0	0	0	110.3	N432 D434 S439 R441	N432-L521 WeakPolarHBondContact OD1-CD1 3.38Å; D434-L521 HydrophobicContact CB-CD1 3.96Å; D434-L521 HydrophobicContact CB-CD2 3.89Å; D434-L521 HydrophobicContact CB-CG 4.34Å; S439-L521 PolarHBondContact N-O 3.38Å; R441-L521 HydrophobicContact CB-CB 4.31Å; R441-L521 PolarHBondContact O-N 2.85Å
522	P	98.4	Very high	97.3	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.019	17%	0.173	C	C	.	.	S	Bend	cis	-91.2	159.5	9.1	39	-41.2	0	0	0	113.7	V306 T307 A310 N432 S520	V306-P522 HydrophobicContact CB-CG 4.17Å; V306-P522 HydrophobicContact CG1-CB 4.42Å; V306-P522 HydrophobicContact CG1-CG 4.3Å; T307-P522 WeakPolarHBondContact OG1-CG 3.47Å; A310-P522 HydrophobicContact CB-CB 3.99Å; N432-P522 CarbonylContact O-C 3.34Å; N432-P522 VanDerWaalsContact O-CA 3.22Å; N432-P522 WeakPolarHBondContact O-CA 3.47Å; S520-P522 CarbonylContact O-C 3.56Å
523	S	98.8	Very high	97.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	163.4	165	57.9	0	0	0	0	112.7	N432 L465 L519 S520	N432-S523 PolarHBondContact N-O 2.85Å; N432-S523 PolarHBondContact O-N 2.93Å; L465-S523 CarbonylContact O-C 3.54Å; L465-S523 WeakPolarHBondContact O-CA 3.3Å; L465-S523 WeakPolarHBondContact O-CB 3.36Å; L519-S523 WeakPolarHBondContact CB-OG 3.39Å; S520-S523 PolarHBondContact N-OG 3.21Å; S520-S523 WeakPolarHBondContact O-CB 3.32Å; S520-S523 PolarHBondContact O-N 3.26Å; S520-S523 PolarHBondContact O-OG 3.01Å
524	V	98.8	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	133.4	171	-179.2	0	0	0	0	108.7	A310 V313 V379 L382 L429 V430 Y464 L465	A310-V524 HydrophobicContact CB-CG2 3.8Å; V313-V524 HydrophobicContact CG2-CG2 4.4Å; V379-V524 HydrophobicContact CG2-CB 4.46Å; V379-V524 HydrophobicContact CG2-CG1 4.09Å; V379-V524 HydrophobicContact CG2-CG2 4.15Å; L382-V524 HydrophobicContact CD1-CG1 4.32Å; L429-V524 HydrophobicContact CD1-CG1 3.48Å; L429-V524 VanDerWaalsContact CD1-CG1 3.48Å; L429-V524 HydrophobicContact CG-CG1 4.3Å; V430-V524 CarbonylContact O-C 3.5Å; V430-V524 WeakPolarHBondContact O-CA 3.4Å; Y464-V524 WeakPolarHBondContact CA-O 3.47Å; L465-V524 HydrophobicContact CB-CB 4.28Å; L465-V524 HydrophobicContact CD1-CB 4.32Å; L465-V524 PolarHBondContact N-O 3.27Å; L465-V524 PolarHBondContact O-N 3.43Å
525	L	98.8	Very high	97.1	Very high	10 Å²	10	37 Å²	37	5%	0.052	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118.2	175.3	174	62	0	0	0	109.4	V430 Y463 Y464 A517 L519 V527	V430-L525 HydrophobicContact CB-CB 4.43Å; V430-L525 PolarHBondContact N-O 3.11Å; V430-L525 PolarHBondContact O-N 2.71Å; Y463-L525 CarbonylContact O-C 3.47Å; Y463-L525 WeakPolarHBondContact O-CA 3.44Å; Y464-L525 HydrophobicContact CD2-CB 4.32Å; Y464-L525 HydrophobicContact CD2-CD1 4.41Å; A517-L525 HydrophobicContact CB-CD2 3.68Å; L519-L525 HydrophobicContact CD2-CB 3.96Å; L519-L525 HydrophobicContact CD2-CD2 4.1Å; L525-V527 HydrophobicContact CD2-CG2 4.46Å; L525-V527 HydrophobicContact CG-CG2 4.33Å
526	L	98.9	Very high	96.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.3	166.3	178.6	68	0	0	0	109.4	L382 L385 A427 V428 L429 T462 Y463 H528	L382-L526 HydrophobicContact CB-CD2 4.24Å; L382-L526 HydrophobicContact CD1-CB 4.42Å; L382-L526 HydrophobicContact CD2-CD2 4.1Å; L385-L526 HydrophobicContact CB-CD2 3.9Å; L385-L526 HydrophobicContact CD1-CD2 3.42Å; L385-L526 VanDerWaalsContact CD1-CD2 3.42Å; L385-L526 HydrophobicContact CG-CD2 4.23Å; A427-L526 HydrophobicContact CB-CD1 4.12Å; V428-L526 CarbonylContact O-C 3.48Å; V428-L526 WeakPolarHBondContact O-CA 3.45Å; L429-L526 HydrophobicContact CB-CD1 4.01Å; L429-L526 HydrophobicContact CD1-CB 3.86Å; L429-L526 HydrophobicContact CD1-CD1 4.08Å; T462-L526 CarbonylContact C-O 3.47Å; T462-L526 VanDerWaalsContact CA-O 3.24Å; T462-L526 WeakPolarHBondContact CA-O 3.35Å; Y463-L526 HydrophobicContact CD2-CB 4.34Å; Y463-L526 HydrophobicContact CD2-CD2 3.85Å; Y463-L526 HydrophobicContact CD2-CG 4.28Å; Y463-L526 HydrophobicContact CE2-CD2 4.39Å; Y463-L526 PolarHBondContact N-O 3.45Å; Y463-L526 PolarHBondContact O-N 3.45Å; L526-H528 HydrophobicContact CD2-CB 4.5Å; L526-H528 HydrophobicContact CG-CB 4.47Å
527	V	98.8	Very high	96.9	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.012	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	114.2	164.6	-174.6	0	0	0	0	107.5	V428 T462 L513 L515 L525 V529	V428-V527 HydrophobicContact CB-CB 4.3Å; V428-V527 PolarHBondContact N-O 2.8Å; V428-V527 PolarHBondContact O-N 3.09Å; T462-V527 HydrophobicContact CG2-CG1 4.48Å; T462-V527 HydrophobicContact CG2-CG2 4.21Å; L513-V527 HydrophobicContact CD2-CG1 4.09Å; L515-V527 HydrophobicContact CD1-CB 4.39Å; L515-V527 HydrophobicContact CD1-CG1 3.66Å; L515-V527 HydrophobicContact CD1-CG2 3.77Å; L525-V527 HydrophobicContact CD2-CG2 4.46Å; L525-V527 HydrophobicContact CG-CG2 4.33Å; V527-V529 HydrophobicContact CG1-CG2 4.23Å
528	H	98.7	Very high	96.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	115.5	179.7	-169.1	-154.9	0	0	0	109.7	Q425 Y460 V461 Y463 L526 C530 K565 Y614	Q425-H528 PolarHBondContact OE1-NE2 2.94Å; Y460-H528 CarbonylContact C-O 3.57Å; Y460-H528 VanDerWaalsContact CA-O 3.25Å; Y460-H528 WeakPolarHBondContact CA-O 3.32Å; V461-H528 PolarHBondContact N-O 3.25Å; V461-H528 PolarHBondContact O-N 2.95Å; Y463-H528 HydrophobicContact CE2-CB 4.3Å; L526-H528 HydrophobicContact CD2-CB 4.5Å; L526-H528 HydrophobicContact CG-CB 4.47Å; H528-C530 VanDerWaalsContact CE1-SG 3.55Å; H528-K565 PolarHBondContact CE1-O 3.17Å; H528-Y614 AromaticContact ND1-CE2 3.52Å; H528-Y614 AromaticContact ND1-CZ 3.59Å; H528-Y614 PolarHBondContact ND1-OH 2.8Å
529	V	98.4	Very high	96.9	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.9	179.2	-173.6	0	0	0	0	108.6	Q425 V426 L449 L458 V459 L507 L513 V527	Q425-V529 CarbonylContact C-O 3.59Å; Q425-V529 VanDerWaalsContact CA-O 3.28Å; Q425-V529 WeakPolarHBondContact CA-O 3.43Å; V426-V529 HydrophobicContact CG1-CB 3.61Å; V426-V529 HydrophobicContact CG1-CG1 4.38Å; V426-V529 HydrophobicContact CG1-CG2 3.99Å; V426-V529 PolarHBondContact N-O 2.76Å; V426-V529 PolarHBondContact O-N 3.35Å; L449-V529 HydrophobicContact CD2-CG2 3.71Å; L458-V529 HydrophobicContact CD2-CG1 4.06Å; V459-V529 CarbonylContact O-C 3.56Å; V459-V529 WeakPolarHBondContact O-CA 3.49Å; L507-V529 HydrophobicContact CD1-CG1 4.19Å; L507-V529 HydrophobicContact CD2-CG1 4.27Å; L513-V529 HydrophobicContact CD2-CG2 4.08Å; V527-V529 HydrophobicContact CG1-CG2 4.23Å
530	C	97.8	Very high	96.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	142	179.4	-71	0	0	0	0	111.8	L458 V459 H528 C566 Y614 W615	L458-C530 WeakPolarHBondContact CA-O 3.45Å; V459-C530 PolarHBondContact N-O 3.09Å; V459-C530 PolarHBondContact O-N 2.93Å; H528-C530 VanDerWaalsContact CE1-SG 3.55Å; C530-C566 HydrophobicContact CB-CB 3.75Å; C530-C566 WeakPolarHBondContact CB-SG 3.46Å; C530-C566 WeakPolarHBondContact SG-CB 3.37Å; C530-C566 CovalentContact SG-SG 2.04Å; C530-C566 PolarHBondContact SG-SG 3.09Å; C530-Y614 HydrophobicContact CB-CD2 4.02Å; C530-Y614 HydrophobicContact CB-CE2 4.37Å; C530-Y614 VanDerWaalsContact SG-CE2 3.55Å; C530-W615 HydrophobicContact CB-CH2 3.71Å; C530-W615 HydrophobicContact CB-CZ2 4.31Å
531	A	96.4	Very high	96.7	Very high	6 Å²	6	29.1 Å²	29.1	5%	0.05	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-81.1	157.1	167.5	0	0	0	0	0	111.5	S423 W424 Q455 L458 P533 W615	S423-A531 WeakPolarHBondContact CB-O 3.43Å; S423-A531 PolarHBondContact OG-O 2.79Å; W424-A531 HydrophobicContact CB-CB 4.09Å; W424-A531 HydrophobicContact CE3-CB 4.35Å; W424-A531 PolarHBondContact O-N 3.43Å; Q455-A531 HydrophobicContact CB-CB 4.34Å; L458-A531 HydrophobicContact CD2-CB 4.06Å; A531-P533 VanDerWaalsContact O-CD 3.31Å; A531-P533 WeakPolarHBondContact O-CD 3.39Å; A531-W615 WeakPolarHBondContact O-CH2 3.12Å; A531-W615 VanDerWaalsContact O-CZ2 3.27Å; A531-W615 WeakPolarHBondContact O-CZ2 3.42Å
532	W	94.9	Very high	96.6	Very high	135 Å²	135	31.4 Å²	31.4	51%	0.511	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-65.6	121.6	179.3	-179.1	-75.9	0	0	0	111.8	K456 W615	K456-W532 PolarHBondContact O-N 3.03Å; W532-W615 HydrophobicContact CB-CZ2 4.4Å; W532-W615 HydrophobicContact CE3-CB 4.39Å; W532-W615 AromaticContact CE3-CD1 3.2Å; W532-W615 HydrophobicContact CE3-CD2 4.04Å; W532-W615 AromaticContact CE3-CE2 3.9Å; W532-W615 AromaticContact CE3-CG 3.61Å; W532-W615 HydrophobicContact CE3-CG 3.61Å; W532-W615 AromaticContact CE3-NE1 3.32Å; W532-W615 VanDerWaalsContact CE3-NE1 3.32Å; W532-W615 HydrophobicContact CH2-CB 4.19Å; W532-W615 HydrophobicContact CH2-CG 4.27Å; W532-W615 HydrophobicContact CZ3-CB 3.8Å; W532-W615 AromaticContact CZ3-CD1 3.19Å; W532-W615 HydrophobicContact CZ3-CD2 4.34Å; W532-W615 AromaticContact CZ3-CG 3.47Å; W532-W615 HydrophobicContact CZ3-CG 3.47Å; W532-W615 VanDerWaalsContact CZ3-CG 3.47Å; W532-W615 AromaticContact CZ3-NE1 3.85Å
533	P	94.4	Very high	96.6	Very high	2 Å²	2	32 Å²	32	1%	0.013	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-81.1	149.1	173.3	3.9	10.5	0	0	0	111.2	S421 A531 V535 W615 R617	S421-P533 WeakPolarHBondContact O-CB 3.28Å; S421-P533 WeakPolarHBondContact O-CG 3.36Å; A531-P533 VanDerWaalsContact O-CD 3.31Å; A531-P533 WeakPolarHBondContact O-CD 3.39Å; P533-V535 VanDerWaalsContact C-N 3.34Å; P533-V535 PolarHBondContact O-N 3.06Å; P533-W615 HydrophobicContact CG-CE3 4.22Å; P533-W615 HydrophobicContact CG-CH2 4.08Å; P533-W615 HydrophobicContact CG-CZ3 3.6Å; P533-R617 VanDerWaalsContact CG-NH2 3.28Å; P533-R617 PolarHBondContact O-NH1 2.81Å; P533-R617 PolarHBondContact O-NH2 2.93Å
534	E	93.4	Very high	96.5	Very high	148 Å²	148	34.9 Å²	34.9	69%	0.692	18%	0.184	S	C	*	.	S	Bend	trans	-67.3	-36.3	-178.2	-68.1	-173.5	-164.8	0	0	112.3	G419 G420	G419-E534 VanDerWaalsContact CA-OE2 3.27Å; G419-E534 WeakPolarHBondContact CA-OE2 3.4Å; G420-E534 PolarHBondContact O-N 3.15Å
535	V	93.8	Very high	96.5	Very high	78 Å²	78	37 Å²	37	47%	0.473	19%	0.193	S	C	.	.	S	Bend	trans	-114.8	158	-179.4	-171.9	0	0	0	0	110.6	G420 P533 R617	G420-V535 PolarHBondContact O-N 3.46Å; G420-V535 VanDerWaalsContact O-N 3.15Å; P533-V535 VanDerWaalsContact C-N 3.34Å; P533-V535 PolarHBondContact O-N 3.06Å; V535-R617 PolarHBondContact O-NH1 3.29Å; V535-R617 PolarHBondContact O-NH2 3.47Å
536	G	94.2	Very high	96.4	Very high	18 Å²	18	37.2 Å²	37.2	19%	0.186	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-69.3	173.5	169.7	0	0	0	0	0	112.3	S421	S421-G536 WeakPolarHBondContact CB-O 3.22Å
537	P	96.4	Very high	96.3	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.032	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-55.4	146.7	179.9	-27.2	35.7	0	0	0	113.8	V562 I567 A611 D613 R617 G619 P620	P537-V562 HydrophobicContact CB-CG1 4.34Å; P537-I567 HydrophobicContact CB-CD1 4.21Å; P537-I567 HydrophobicContact CG-CD1 4.05Å; P537-A611 HydrophobicContact CB-CB 3.72Å; P537-A611 HydrophobicContact CG-CB 4.32Å; P537-D613 HydrophobicContact CG-CB 3.76Å; P537-R617 VanDerWaalsContact CD-O 3.31Å; P537-R617 WeakPolarHBondContact CD-O 3.04Å; P537-G619 WeakPolarHBondContact O-CA 3.34Å; P537-P620 VanDerWaalsContact O-CD 3.26Å; P537-P620 WeakPolarHBondContact O-CD 3.49Å
538	D	95.7	Very high	96.2	Very high	72 Å²	72	42.6 Å²	42.6	39%	0.385	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-72.7	169.4	171.9	-69	-61.3	0	0	0	112.3	S421 C561	S421-D538 WeakPolarHBondContact CB-OD2 3.34Å; S421-D538 PolarHBondContact OG-OD2 3.1Å; D538-C561 WeakPolarHBondContact CB-O 3.37Å
539	Q	96.4	Very high	96.2	Very high	87 Å²	87	43.8 Å²	43.8	41%	0.407	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-70.5	134.2	-174.6	-170.2	-178.5	29.5	0	0	112	P620 Y621	Q539-P620 HydrophobicContact CB-CB 4.1Å; Q539-P620 HydrophobicContact CB-CG 4.3Å; Q539-P620 HydrophobicContact CG-CB 4.11Å; Q539-Y621 PolarHBondContact NE2-O 3.43Å
540	V	95.8	Very high	96	Very high	1 Å²	1	51 Å²	51	1%	0.006	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-73.5	143.4	168.3	172.9	0	0	0	0	110.3	W557 V562 F570 V609 A611 S622	V540-W557 HydrophobicContact CG1-CB 3.55Å; V540-W557 HydrophobicContact CG1-CG 3.59Å; V540-V562 HydrophobicContact CG2-CG2 3.96Å; V540-F570 HydrophobicContact CG2-CD1 3.8Å; V540-F570 HydrophobicContact CG2-CE1 3.72Å; V540-V609 HydrophobicContact CG1-CB 4.28Å; V540-V609 HydrophobicContact CG1-CG1 4.26Å; V540-A611 HydrophobicContact CG2-CB 4.21Å; V540-S622 VanDerWaalsContact O-CA 3.29Å; V540-S622 WeakPolarHBondContact O-CA 3.15Å; V540-S622 VanDerWaalsContact O-CB 3.23Å; V540-S622 WeakPolarHBondContact O-CB 3.11Å
541	N	94.7	Very high	95.9	Very high	43 Å²	43	51 Å²	51	23%	0.23	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	-178.3	-179.8	63.8	46.2	0	0	0	112.3	L543 S558 H560 C561	N541-L543 VanDerWaalsContact C-N 3.26Å; N541-L543 PolarHBondContact O-N 2.75Å; N541-S558 PolarHBondContact N-O 2.94Å; N541-S558 PolarHBondContact O-N 3.3Å; N541-S558 WeakPolarHBondContact OD1-CB 3.37Å; N541-H560 PolarHBondContact ND2-CE1 3.23Å; N541-H560 PolarHBondContact ND2-NE2 2.9Å; N541-H560 VanDerWaalsContact ND2-NE2 3.12Å; N541-H560 PolarHBondContact OD1-CE1 3.1Å; N541-H560 PolarHBondContact OD1-ND1 3.24Å; N541-H560 VanDerWaalsContact OD1-ND1 3.16Å; N541-C561 PolarHBondContact ND2-SG 2.84Å
542	G	95.1	Very high	96	Very high	49 Å²	49	51.5 Å²	51.5	51%	0.505	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	63.1	28.9	174.9	0	0	0	0	0	114.3	R544	G542-R544 PolarHBondContact O-N 3.06Å
543	L	97.7	Very high	96.2	Very high	17 Å²	17	45.1 Å²	45.1	9%	0.089	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	122.1	177.6	-180	59.6	0	0	0	109.7	N541 F545 V555 I556 Y607 V609 E625	N541-L543 VanDerWaalsContact C-N 3.26Å; N541-L543 PolarHBondContact O-N 2.75Å; L543-F545 HydrophobicContact CD1-CE1 4.46Å; L543-F545 HydrophobicContact CG-CZ 4.29Å; L543-V555 HydrophobicContact CD1-CG1 3.48Å; L543-V555 VanDerWaalsContact CD1-CG1 3.48Å; L543-I556 CarbonylContact C-O 3.56Å; L543-I556 WeakPolarHBondContact CA-O 3.48Å; L543-Y607 WeakPolarHBondContact CD2-O 3.45Å; L543-V609 HydrophobicContact CD1-CG2 3.75Å; L543-V609 HydrophobicContact CD2-CG2 4.45Å; L543-E625 HydrophobicContact CB-CB 4.49Å; L543-E625 HydrophobicContact CB-CG 4.04Å; L543-E625 HydrophobicContact CD2-CB 3.89Å; L543-E625 HydrophobicContact CD2-CG 4.16Å; L543-E625 HydrophobicContact CG-CB 4.02Å; L543-E625 HydrophobicContact CG-CG 4.14Å
544	R	97.8	Very high	96.4	Very high	59 Å²	59	45 Å²	45	22%	0.223	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	175	178.7	64.2	178.9	171.6	77.8	10.2	111.5	D113 N114 G542 I556	D113-R544 PolarHBondContact O-NE 3.14Å; D113-R544 PolarHBondContact O-NH2 2.84Å; N114-R544 VanDerWaalsContact CG-NH2 3.33Å; N114-R544 PolarHBondContact OD1-NH2 2.91Å; G542-R544 PolarHBondContact O-N 3.06Å; R544-I556 HydrophobicContact CG-CB 4.2Å; R544-I556 PolarHBondContact N-O 3.26Å; R544-I556 PolarHBondContact O-N 3.21Å
545	F	98.1	Very high	96.6	Very high	45 Å²	45	38 Å²	38	20%	0.197	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.6	-170.8	-48.2	-75.1	0	0	0	112	L543 V553 L554 V555 Y607 E625 F627	L543-F545 HydrophobicContact CD1-CE1 4.46Å; L543-F545 HydrophobicContact CG-CZ 4.29Å; F545-V553 HydrophobicContact CB-CG2 3.79Å; F545-V553 HydrophobicContact CD1-CG2 4.13Å; F545-V553 HydrophobicContact CG-CG2 4.34Å; F545-L554 CarbonylContact C-O 3.57Å; F545-L554 WeakPolarHBondContact CA-O 3.45Å; F545-V555 HydrophobicContact CD1-CB 4.47Å; F545-V555 HydrophobicContact CD1-CG1 4.31Å; F545-V555 HydrophobicContact CD1-CG2 4.12Å; F545-V555 HydrophobicContact CE1-CG1 4.03Å; F545-V555 HydrophobicContact CE1-CG2 4.22Å; F545-Y607 HydrophobicContact CD1-CD2 4.44Å; F545-Y607 HydrophobicContact CE1-CD1 4.47Å; F545-Y607 AromaticContact CE1-CD2 3.48Å; F545-Y607 HydrophobicContact CE1-CD2 3.48Å; F545-Y607 VanDerWaalsContact CE1-CD2 3.48Å; F545-Y607 HydrophobicContact CE1-CE2 4.22Å; F545-Y607 AromaticContact CE1-CG 3.65Å; F545-Y607 HydrophobicContact CE1-CG 3.65Å; F545-Y607 AromaticContact CZ-CD2 3.71Å; F545-Y607 HydrophobicContact CZ-CD2 3.71Å; F545-Y607 HydrophobicContact CZ-CG 4.02Å; F545-E625 HydrophobicContact CE2-CB 3.71Å; F545-E625 HydrophobicContact CZ-CB 3.84Å; F545-F627 HydrophobicContact CB-CD2 3.58Å; F545-F627 HydrophobicContact CB-CE2 4.03Å; F545-F627 HydrophobicContact CD1-CB 4.24Å; F545-F627 HydrophobicContact CD1-CD2 4.36Å; F545-F627 HydrophobicContact CD2-CB 4.05Å; F545-F627 HydrophobicContact CD2-CD2 4.04Å; F545-F627 HydrophobicContact CE1-CB 4.3Å; F545-F627 HydrophobicContact CE2-CB 4.11Å; F545-F627 HydrophobicContact CG-CB 4.11Å; F545-F627 AromaticContact CG-CD2 3.73Å; F545-F627 HydrophobicContact CG-CD2 3.73Å; F545-F627 HydrophobicContact CG-CG 4.28Å; F545-F627 HydrophobicContact CZ-CB 4.25Å
546	I	97.6	Very high	96.8	Very high	15 Å²	15	34.5 Å²	34.5	8%	0.077	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.5	162.5	-57.3	177.8	0	0	0	107.4	Q62 L63 A66 I548 L554 I556	Q62-I546 HydrophobicContact CB-CD1 4.34Å; Q62-I546 WeakPolarHBondContact O-CD1 3.45Å; L63-I546 HydrophobicContact CD2-CB 4.11Å; L63-I546 HydrophobicContact CD2-CD1 4.5Å; L63-I546 HydrophobicContact CD2-CG2 3.61Å; L63-I546 HydrophobicContact CG-CG2 4.14Å; A66-I546 HydrophobicContact CB-CD1 3.82Å; I546-I548 PolarHBondContact O-N 3.37Å; I546-L554 HydrophobicContact CB-CB 4.28Å; I546-L554 HydrophobicContact CD1-CD2 4.37Å; I546-L554 PolarHBondContact N-O 3.28Å; I546-L554 PolarHBondContact O-N 3.24Å; I546-I556 HydrophobicContact CD1-CD1 3.66Å; I546-I556 HydrophobicContact CG1-CD1 3.79Å
547	R	96.6	Very high	97	Very high	98 Å²	98	34 Å²	34	37%	0.37	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	129.2	174.9	-179	-176.9	-65.1	-126.2	19.8	109.1	F627 S628 D629 G630	R547-F627 HydrophobicContact CB-CE2 4.32Å; R547-F627 HydrophobicContact CB-CZ 4.11Å; R547-F627 HydrophobicContact CG-CZ 4.25Å; R547-S628 PolarHBondContact NH2-O 3.37Å; R547-D629 VanDerWaalsContact NH1-C 3.31Å; R547-D629 PolarHBondContact NH1-O 3.06Å; R547-D629 IonicContact NH1-OD1 3.9Å; R547-D629 PolarHBondContact NH1-OD1 2.79Å; R547-G630 PolarHBondContact NH1-O 3.09Å; R547-G630 VanDerWaalsContact NH2-CA 3.34Å; R547-G630 PolarHBondContact NH2-O 3.12Å
548	I	97.4	Very high	97.1	Very high	16 Å²	16	35.4 Å²	35.4	8%	0.082	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-58.5	175.2	-62	171.5	0	0	0	109.7	L63 H368 V369 Q370 I546 Q552 L554 V595	L63-I548 HydrophobicContact CD2-CG1 4.23Å; H368-I548 WeakPolarHBondContact CB-O 3.42Å; V369-I548 WeakPolarHBondContact O-CG2 3.25Å; Q370-I548 VanDerWaalsContact CD-CG2 3.49Å; Q370-I548 HydrophobicContact CG-CG2 4.28Å; I546-I548 PolarHBondContact O-N 3.37Å; I548-Q552 HydrophobicContact CB-CB 4.18Å; I548-Q552 PolarHBondContact N-O 2.87Å; I548-Q552 VanDerWaalsContact N-O 3.14Å; I548-L554 HydrophobicContact CD1-CB 4.11Å; I548-L554 HydrophobicContact CG1-CB 4.31Å; I548-V595 HydrophobicContact CD1-CB 4.46Å; I548-V595 HydrophobicContact CD1-CG1 3.6Å; I548-V595 HydrophobicContact CD1-CG2 4.06Å
549	T	96.8	Very high	97.1	Very high	26 Å²	26	32.6 Å²	32.6	16%	0.16	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	177.6	177	-169.8	0	0	0	0	108.5	G551 Q552	T549-G551 PolarHBondContact O-N 3.38Å; T549-Q552 HydrophobicContact CG2-CB 3.94Å; T549-Q552 HydrophobicContact CG2-CG 3.98Å; T549-Q552 PolarHBondContact N-O 3.15Å; T549-Q552 PolarHBondContact O-N 3.01Å
550	K	95.2	Very high	96.8	Very high	150 Å²	150	34.6 Å²	34.6	65%	0.652	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	127.4	175.9	-176.4	173.3	-177.8	167.9	0	110.5	Q552	K550-Q552 VanDerWaalsContact C-N 3.28Å; K550-Q552 PolarHBondContact O-N 2.04Å
551	G	96.4	Very high	96.6	Very high	2 Å²	2	37.5 Å²	37.5	2%	0.021	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	11.9	-178.7	0	0	0	0	0	115.5	T549 Q601 V603	T549-G551 PolarHBondContact O-N 3.38Å; G551-Q601 WeakPolarHBondContact CA-O 3.35Å; G551-V603 VanDerWaalsContact C-CG1 3.47Å; G551-V603 VanDerWaalsContact O-CG1 3.27Å; G551-V603 WeakPolarHBondContact O-CG1 3.38Å
552	Q	98	Very high	96.4	Very high	16 Å²	16	35.5 Å²	35.5	8%	0.075	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	129.8	177.1	-56.8	-173.2	41.3	0	0	112.4	I548 T549 K550 H596	I548-Q552 HydrophobicContact CB-CB 4.18Å; I548-Q552 PolarHBondContact N-O 2.87Å; I548-Q552 VanDerWaalsContact N-O 3.14Å; T549-Q552 HydrophobicContact CG2-CB 3.94Å; T549-Q552 HydrophobicContact CG2-CG 3.98Å; T549-Q552 PolarHBondContact N-O 3.15Å; T549-Q552 PolarHBondContact O-N 3.01Å; K550-Q552 VanDerWaalsContact C-N 3.28Å; K550-Q552 PolarHBondContact O-N 2.04Å; Q552-H596 WeakPolarHBondContact CA-O 3.42Å
553	V	98.2	Very high	95.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	140.1	-178.8	63.8	0	0	0	0	110.8	F545 V555 H596 V603 F627	F545-V553 HydrophobicContact CB-CG2 3.79Å; F545-V553 HydrophobicContact CD1-CG2 4.13Å; F545-V553 HydrophobicContact CG-CG2 4.34Å; V553-V555 HydrophobicContact CG1-CG2 4.23Å; V553-H596 HydrophobicContact CG1-CB 4.04Å; V553-H596 PolarHBondContact N-O 3.34Å; V553-H596 VanDerWaalsContact N-O 3.11Å; V553-H596 PolarHBondContact O-N 2.84Å; V553-V603 HydrophobicContact CG1-CB 4.08Å; V553-V603 HydrophobicContact CG1-CG1 4.38Å; V553-F627 HydrophobicContact CB-CD1 4.35Å; V553-F627 HydrophobicContact CB-CE1 3.97Å; V553-F627 HydrophobicContact CB-CE2 4.33Å; V553-F627 HydrophobicContact CB-CZ 3.95Å; V553-F627 HydrophobicContact CG1-CD1 4.46Å; V553-F627 HydrophobicContact CG1-CE1 4.48Å; V553-F627 HydrophobicContact CG2-CD1 4.26Å; V553-F627 HydrophobicContact CG2-CD2 3.79Å; V553-F627 HydrophobicContact CG2-CE1 4.04Å; V553-F627 HydrophobicContact CG2-CE2 3.55Å; V553-F627 HydrophobicContact CG2-CG 4.13Å; V553-F627 HydrophobicContact CG2-CZ 3.68Å
554	L	98.6	Very high	95.4	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	116.8	166.5	179.4	64.4	0	0	0	108.2	L63 A66 Y67 F545 I546 I548 I556 V595	L63-L554 HydrophobicContact CD2-CB 4.27Å; L63-L554 HydrophobicContact CD2-CD2 3.68Å; A66-L554 HydrophobicContact CB-CD2 3.87Å; Y67-L554 HydrophobicContact CD2-CD2 4.38Å; Y67-L554 HydrophobicContact CE2-CD1 4.29Å; Y67-L554 HydrophobicContact CE2-CD2 4.11Å; F545-L554 CarbonylContact C-O 3.57Å; F545-L554 WeakPolarHBondContact CA-O 3.45Å; I546-L554 HydrophobicContact CB-CB 4.28Å; I546-L554 HydrophobicContact CD1-CD2 4.37Å; I546-L554 PolarHBondContact N-O 3.28Å; I546-L554 PolarHBondContact O-N 3.24Å; I548-L554 HydrophobicContact CD1-CB 4.11Å; I548-L554 HydrophobicContact CG1-CB 4.31Å; L554-I556 HydrophobicContact CD2-CD1 3.9Å; L554-I556 HydrophobicContact CD2-CG1 4.08Å; L554-I556 HydrophobicContact CG-CD1 4.07Å; L554-I556 HydrophobicContact CG-CG1 3.8Å; L554-V595 HydrophobicContact CD1-CG2 3.63Å
555	V	98.7	Very high	95.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130.2	174.6	-173.2	0	0	0	0	108.2	L543 F545 V553 W557 V572 S593 Y594 H596 Y607	L543-V555 HydrophobicContact CD1-CG1 3.48Å; L543-V555 VanDerWaalsContact CD1-CG1 3.48Å; F545-V555 HydrophobicContact CD1-CB 4.47Å; F545-V555 HydrophobicContact CD1-CG1 4.31Å; F545-V555 HydrophobicContact CD1-CG2 4.12Å; F545-V555 HydrophobicContact CE1-CG1 4.03Å; F545-V555 HydrophobicContact CE1-CG2 4.22Å; V553-V555 HydrophobicContact CG1-CG2 4.23Å; V555-W557 HydrophobicContact CG1-CE3 4.25Å; V555-W557 HydrophobicContact CG1-CZ3 4.3Å; V555-V572 HydrophobicContact CG1-CG1 4.28Å; V555-S593 CarbonylContact O-C 3.55Å; V555-S593 VanDerWaalsContact O-CA 3.24Å; V555-S593 WeakPolarHBondContact O-CA 3.2Å; V555-Y594 PolarHBondContact N-O 2.86Å; V555-Y594 PolarHBondContact O-N 2.84Å; V555-H596 HydrophobicContact CG2-CB 4.45Å; V555-Y607 HydrophobicContact CG2-CD1 4.1Å; V555-Y607 HydrophobicContact CG2-CE1 4.11Å
556	I	98.5	Very high	95.2	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	143.8	-174.3	-51.7	158	0	0	0	108.6	A66 L543 R544 I546 L554	A66-I556 HydrophobicContact CB-CD1 3.45Å; A66-I556 VanDerWaalsContact CB-CD1 3.45Å; A66-I556 HydrophobicContact CB-CG1 4.27Å; L543-I556 CarbonylContact C-O 3.56Å; L543-I556 WeakPolarHBondContact CA-O 3.48Å; R544-I556 HydrophobicContact CG-CB 4.2Å; R544-I556 PolarHBondContact N-O 3.26Å; R544-I556 PolarHBondContact O-N 3.21Å; I546-I556 HydrophobicContact CD1-CD1 3.66Å; I546-I556 HydrophobicContact CG1-CD1 3.79Å; L554-I556 HydrophobicContact CD2-CD1 3.9Å; L554-I556 HydrophobicContact CD2-CG1 4.08Å; L554-I556 HydrophobicContact CG-CD1 4.07Å; L554-I556 HydrophobicContact CG-CG1 3.8Å
557	W	98.3	Very high	95.2	Very high	8 Å²	8	30.3 Å²	30.3	3%	0.03	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	176.8	174.6	59.2	91.2	0	0	0	110.7	V540 V555 F570 V572 F591 T592 V609	V540-W557 HydrophobicContact CG1-CB 3.55Å; V540-W557 HydrophobicContact CG1-CG 3.59Å; V555-W557 HydrophobicContact CG1-CE3 4.25Å; V555-W557 HydrophobicContact CG1-CZ3 4.3Å; W557-F570 AromaticContact CE2-CG 3.79Å; W557-F570 HydrophobicContact CH2-CB 4.33Å; W557-F570 HydrophobicContact CZ2-CB 3.4Å; W557-F570 VanDerWaalsContact CZ2-CB 3.4Å; W557-F570 HydrophobicContact CZ2-CD1 4.49Å; W557-F570 AromaticContact CZ2-CD2 3.99Å; W557-F570 HydrophobicContact CZ2-CD2 3.99Å; W557-F570 AromaticContact CZ2-CG 3.73Å; W557-F570 HydrophobicContact CZ2-CG 3.73Å; W557-F570 AromaticContact NE1-CD1 3.33Å; W557-F570 VanDerWaalsContact NE1-CD1 3.33Å; W557-F570 AromaticContact NE1-CD2 3.78Å; W557-F570 AromaticContact NE1-CE1 3.69Å; W557-F570 AromaticContact NE1-CG 3.38Å; W557-V572 HydrophobicContact CH2-CG2 3.66Å; W557-V572 HydrophobicContact CZ3-CG2 3.7Å; W557-F591 VanDerWaalsContact CZ2-O 3.23Å; W557-F591 WeakPolarHBondContact CZ2-O 3.25Å; W557-T592 VanDerWaalsContact CE2-C 3.49Å; W557-T592 PolarHBondContact N-O 3.5Å; W557-T592 VanDerWaalsContact O-CB 3.25Å; W557-T592 WeakPolarHBondContact O-CB 3.45Å; W557-T592 PolarHBondContact O-OG1 3.05Å; W557-V609 HydrophobicContact CD2-CB 4.41Å; W557-V609 HydrophobicContact CD2-CG1 3.8Å; W557-V609 HydrophobicContact CD2-CG2 4.22Å; W557-V609 HydrophobicContact CE3-CG1 4.2Å; W557-V609 HydrophobicContact CE3-CG2 3.92Å; W557-V609 HydrophobicContact CG-CG1 4.11Å; W557-V609 HydrophobicContact CZ2-CG1 4.27Å; W557-V609 HydrophobicContact CZ3-CG2 4.41Å
558	S	97.1	Very high	95.3	Very high	35 Å²	35	29.5 Å²	29.5	25%	0.245	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.1	174.8	-176.5	0	0	0	0	111.3	N541 H560	N541-S558 PolarHBondContact N-O 2.94Å; N541-S558 PolarHBondContact O-N 3.3Å; N541-S558 WeakPolarHBondContact OD1-CB 3.37Å; S558-H560 PolarHBondContact OG-N 2.81Å; S558-H560 PolarHBondContact OG-ND1 3Å
559	D	96	Very high	95.3	Very high	13 Å²	13	28.8 Å²	28.8	7%	0.07	16%	0.155	C	C	.	.			trans	-100.9	8.2	177.9	68	-17.3	0	0	0	112.9	P72 H73 C561 V562 F570 T592	P72-D559 WeakPolarHBondContact CA-OD2 3.42Å; H73-D559 IonicContact CE1-OD2 3.22Å; H73-D559 IonicContact CG-OD2 2.89Å; H73-D559 PolarHBondContact N-OD2 3.44Å; H73-D559 IonicContact ND1-OD2 2.7Å; H73-D559 PolarHBondContact ND1-OD2 3Å; D559-C561 PolarHBondContact O-N 2.73Å; D559-V562 HydrophobicContact CB-CB 4.39Å; D559-V562 HydrophobicContact CB-CG2 4.15Å; D559-V562 WeakPolarHBondContact O-CB 3.43Å; D559-V562 PolarHBondContact O-N 3.14Å; D559-F570 HydrophobicContact CB-CE1 4.4Å; D559-F570 HydrophobicContact CB-CZ 3.91Å; D559-T592 HydrophobicContact CB-CG2 3.74Å
560	H	91.3	Very high	95.4	Very high	129 Å²	129	27.7 Å²	27.7	60%	0.597	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.2	-173.6	72.7	-98	0	0	0	114	N541 S558	N541-H560 PolarHBondContact ND2-CE1 3.23Å; N541-H560 PolarHBondContact ND2-NE2 2.9Å; N541-H560 VanDerWaalsContact ND2-NE2 3.12Å; N541-H560 PolarHBondContact OD1-CE1 3.1Å; N541-H560 PolarHBondContact OD1-ND1 3.24Å; N541-H560 VanDerWaalsContact OD1-ND1 3.16Å; S558-H560 PolarHBondContact OG-N 2.81Å; S558-H560 PolarHBondContact OG-ND1 3Å
561	C	90.7	Very high	95.5	Very high	62 Å²	62	22 Å²	22	42%	0.419	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-13.3	174.5	-74.5	0	0	0	0	114.1	D538 N541 D559 G563	D538-C561 WeakPolarHBondContact CB-O 3.37Å; N541-C561 PolarHBondContact ND2-SG 2.84Å; D559-C561 PolarHBondContact O-N 2.73Å; C561-G563 VanDerWaalsContact C-N 3.29Å; C561-G563 PolarHBondContact O-N 3.03Å
562	V	90.6	Very high	95.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-31.3	-175	178.6	0	0	0	0	111.3	S421 P537 V540 D559 S564 I567 F570 A611	S421-V562 PolarHBondContact OG-O 3.32Å; P537-V562 HydrophobicContact CB-CG1 4.34Å; V540-V562 HydrophobicContact CG2-CG2 3.96Å; D559-V562 HydrophobicContact CB-CB 4.39Å; D559-V562 HydrophobicContact CB-CG2 4.15Å; D559-V562 WeakPolarHBondContact O-CB 3.43Å; D559-V562 PolarHBondContact O-N 3.14Å; V562-S564 PolarHBondContact O-N 3.1Å; V562-I567 HydrophobicContact CG1-CD1 3.71Å; V562-I567 HydrophobicContact CG1-CG1 4.03Å; V562-F570 HydrophobicContact CG2-CE1 4.37Å; V562-A611 HydrophobicContact CG1-CB 4.02Å; V562-A611 HydrophobicContact CG2-CB 4.33Å
563	G	81.1	Confident	95.6	Very high	45 Å²	45	22 Å²	22	46%	0.464	12%	0.123	S	C	.	.			trans	72.1	-59.8	173.1	0	0	0	0	0	114.3	C561	C561-G563 VanDerWaalsContact C-N 3.29Å; C561-G563 PolarHBondContact O-N 3.03Å
564	S	89.8	Confident	95.6	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.014	13%	0.127	C	C	.	.			trans	-68.5	141.2	179.7	-172	0	0	0	0	112.4	H73 S421 V562 C566 I567	H73-S564 PolarHBondContact CE1-O 3.06Å; S421-S564 VanDerWaalsContact O-CB 3.29Å; S421-S564 WeakPolarHBondContact O-CB 3.4Å; S421-S564 PolarHBondContact O-OG 2.88Å; V562-S564 PolarHBondContact O-N 3.1Å; S564-C566 PolarHBondContact OG-N 3.24Å; S564-I567 WeakPolarHBondContact O-CG1 3.06Å
565	K	95.6	Very high	95.5	Very high	26 Å²	26	22.8 Å²	22.8	11%	0.113	13%	0.127	C	C	.	.	S	Bend	trans	-94.4	-4.3	170.9	-44	-169.4	-177.4	-176	0	113.3	H73 A384 L385 L386 H528 I567	H73-K565 WeakPolarHBondContact NE2-CA 3.18Å; H73-K565 WeakPolarHBondContact NE2-CB 3.46Å; A384-K565 PolarHBondContact O-NZ 3.37Å; L385-K565 HydrophobicContact CD2-CB 3.81Å; L385-K565 HydrophobicContact CD2-CD 4.41Å; L386-K565 PolarHBondContact O-NZ 3.39Å; H528-K565 PolarHBondContact CE1-O 3.17Å; K565-I567 PolarHBondContact O-N 3.01Å
566	C	97.1	Very high	95.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.152	C	C	.	.			trans	-80.7	46.5	-178.9	-54.6	0	0	0	0	111.6	C530 S564 D613 Y614 W615	C530-C566 HydrophobicContact CB-CB 3.75Å; C530-C566 WeakPolarHBondContact CB-SG 3.46Å; C530-C566 WeakPolarHBondContact SG-CB 3.37Å; C530-C566 CovalentContact SG-SG 2.04Å; C530-C566 PolarHBondContact SG-SG 3.09Å; S564-C566 PolarHBondContact OG-N 3.24Å; C566-D613 CarbonylContact O-C 3.54Å; C566-D613 VanDerWaalsContact O-CA 3.27Å; C566-D613 WeakPolarHBondContact O-CA 3.23Å; C566-D613 WeakPolarHBondContact O-CB 3.36Å; C566-Y614 HydrophobicContact CB-CD2 3.77Å; C566-Y614 HydrophobicContact CB-CE2 3.99Å; C566-Y614 HydrophobicContact CB-CG 4.32Å; C566-Y614 PolarHBondContact O-N 3.15Å; C566-W615 HydrophobicContact CB-CH2 4.31Å; C566-W615 HydrophobicContact CB-CZ3 4.09Å
567	I	97.8	Very high	94.6	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	119.8	-174.3	-57.2	-52.6	0	0	0	109.1	P537 V562 S564 K565 T569 F570 A611 Y614	P537-I567 HydrophobicContact CB-CD1 4.21Å; P537-I567 HydrophobicContact CG-CD1 4.05Å; V562-I567 HydrophobicContact CG1-CD1 3.71Å; V562-I567 HydrophobicContact CG1-CG1 4.03Å; S564-I567 WeakPolarHBondContact O-CG1 3.06Å; K565-I567 PolarHBondContact O-N 3.01Å; I567-T569 WeakPolarHBondContact CG2-O 3.27Å; I567-F570 HydrophobicContact CG2-CE2 4.13Å; I567-F570 HydrophobicContact CG2-CZ 4.15Å; I567-A611 HydrophobicContact CD1-CB 4.22Å; I567-A611 HydrophobicContact CG2-CB 4.41Å; I567-Y614 WeakPolarHBondContact O-CE1 3.45Å
568	K	97.4	Very high	93.7	Very high	80 Å²	80	35.2 Å²	35.2	35%	0.348	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	-47.6	174.5	-178.4	179.2	172.5	-176.2	0	110.5	D588 V612 D613 Y614	K568-D588 WeakPolarHBondContact CE-OD2 3.41Å; K568-D588 IonicContact NZ-OD2 3.33Å; K568-V612 WeakPolarHBondContact CB-O 3.43Å; K568-V612 PolarHBondContact N-O 2.9Å; K568-D613 WeakPolarHBondContact CB-O 3.36Å; K568-Y614 HydrophobicContact CB-CD1 3.99Å
569	T	98	Very high	93	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	164.7	-174.7	-167.9	0	0	0	0	111.8	I567 E571 D588 T589 V612	I567-T569 WeakPolarHBondContact CG2-O 3.27Å; T569-E571 HydrophobicContact CG2-CG 4.13Å; T569-D588 VanDerWaalsContact CB-OD1 3.25Å; T569-D588 WeakPolarHBondContact CB-OD1 3.49Å; T569-D588 WeakPolarHBondContact CG2-OD1 2.97Å; T569-D588 VanDerWaalsContact OG1-CA 3.28Å; T569-D588 WeakPolarHBondContact OG1-CA 3.21Å; T569-D588 PolarHBondContact OG1-OD1 3.01Å; T569-T589 WeakPolarHBondContact CA-O 3.45Å; T569-T589 PolarHBondContact OG1-N 3.28Å; T569-V612 HydrophobicContact CG2-CB 3.99Å; T569-V612 HydrophobicContact CG2-CG2 4.35Å; T569-V612 PolarHBondContact N-O 2.65Å; T569-V612 PolarHBondContact O-N 3.25Å
570	F	98.3	Very high	92.8	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.009	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.5	159.6	-64.9	-83.6	0	0	0	109.7	V540 W557 D559 V562 I567 V572 N585 T589 T592 V609 R610 A611	V540-F570 HydrophobicContact CG2-CD1 3.8Å; V540-F570 HydrophobicContact CG2-CE1 3.72Å; W557-F570 AromaticContact CE2-CG 3.79Å; W557-F570 HydrophobicContact CH2-CB 4.33Å; W557-F570 HydrophobicContact CZ2-CB 3.4Å; W557-F570 VanDerWaalsContact CZ2-CB 3.4Å; W557-F570 HydrophobicContact CZ2-CD1 4.49Å; W557-F570 AromaticContact CZ2-CD2 3.99Å; W557-F570 HydrophobicContact CZ2-CD2 3.99Å; W557-F570 AromaticContact CZ2-CG 3.73Å; W557-F570 HydrophobicContact CZ2-CG 3.73Å; W557-F570 AromaticContact NE1-CD1 3.33Å; W557-F570 VanDerWaalsContact NE1-CD1 3.33Å; W557-F570 AromaticContact NE1-CD2 3.78Å; W557-F570 AromaticContact NE1-CE1 3.69Å; W557-F570 AromaticContact NE1-CG 3.38Å; D559-F570 HydrophobicContact CB-CE1 4.4Å; D559-F570 HydrophobicContact CB-CZ 3.91Å; V562-F570 HydrophobicContact CG2-CE1 4.37Å; I567-F570 HydrophobicContact CG2-CE2 4.13Å; I567-F570 HydrophobicContact CG2-CZ 4.15Å; F570-V572 PolarHBondContact O-N 3.07Å; F570-N585 PolarHBondContact O-ND2 2.97Å; F570-T589 PolarHBondContact N-O 3.02Å; F570-T592 HydrophobicContact CE2-CG2 4.24Å; F570-T592 HydrophobicContact CZ-CG2 4.29Å; F570-V609 HydrophobicContact CB-CG1 4.01Å; F570-V609 HydrophobicContact CD1-CG1 4.42Å; F570-R610 CarbonylContact C-O 3.5Å; F570-R610 VanDerWaalsContact CA-O 3.31Å; F570-R610 WeakPolarHBondContact CA-O 3.26Å; F570-A611 HydrophobicContact CD1-CB 3.96Å; F570-A611 HydrophobicContact CE1-CB 3.74Å
571	E	98.6	Very high	93.1	Very high	31 Å²	31	45 Å²	45	15%	0.145	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	113	175	-63.8	-170	142.9	0	0	109.4	T569 R583 V609 R610 V612	T569-E571 HydrophobicContact CG2-CG 4.13Å; E571-R583 IonicContact OE1-NH1 3.12Å; E571-R583 PolarHBondContact OE1-NH1 3.34Å; E571-R583 VanDerWaalsContact OE1-NH1 3.15Å; E571-V609 VanDerWaalsContact O-CA 3.31Å; E571-V609 WeakPolarHBondContact O-CA 3.38Å; E571-R610 HydrophobicContact CB-CG 4.08Å; E571-R610 PolarHBondContact N-O 2.79Å; E571-R610 PolarHBondContact O-N 2.86Å; E571-R610 VanDerWaalsContact O-N 3.1Å; E571-R610 IonicContact OE2-CZ 3.18Å; E571-R610 IonicContact OE2-NE 2.81Å; E571-R610 PolarHBondContact OE2-NE 3.48Å; E571-R610 IonicContact OE2-NH2 2.71Å; E571-R610 PolarHBondContact OE2-NH2 3.29Å; E571-V612 HydrophobicContact CG-CG2 3.7Å
572	V	98.5	Very high	93.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118.5	173.1	-174.2	0	0	0	0	107.5	V555 W557 F570 R583 V584 N585 Y594 Y607 V609	V555-V572 HydrophobicContact CG1-CG1 4.28Å; W557-V572 HydrophobicContact CH2-CG2 3.66Å; W557-V572 HydrophobicContact CZ3-CG2 3.7Å; F570-V572 PolarHBondContact O-N 3.07Å; V572-R583 CarbonylContact O-C 3.58Å; V572-R583 WeakPolarHBondContact O-CA 3.31Å; V572-V584 HydrophobicContact CB-CG2 4.03Å; V572-V584 HydrophobicContact CG1-CG2 3.76Å; V572-V584 WeakPolarHBondContact O-CG2 3.15Å; V572-V584 PolarHBondContact O-N 3.23Å; V572-N585 PolarHBondContact N-OD1 3.42Å; V572-N585 PolarHBondContact O-OD1 2.84Å; V572-Y594 HydrophobicContact CB-CD1 4.46Å; V572-Y594 HydrophobicContact CG1-CD1 4.38Å; V572-Y594 HydrophobicContact CG2-CD1 4.41Å; V572-Y594 HydrophobicContact CG2-CG 4.48Å; V572-Y607 HydrophobicContact CG1-CD1 4.26Å; V572-V609 HydrophobicContact CB-CG2 4.45Å; V572-V609 HydrophobicContact CG1-CG2 4.22Å; V572-V609 HydrophobicContact CG2-CG1 4.4Å; V572-V609 HydrophobicContact CG2-CG2 4.13Å
573	E	98.4	Very high	93.7	Very high	17 Å²	17	49.5 Å²	49.5	8%	0.079	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	148.5	176.7	-65.8	-171.4	171.5	0	0	112.2	F581 S582 R583 Y607 R608 Y621	E573-F581 HydrophobicContact CB-CB 4.11Å; E573-F581 HydrophobicContact CB-CD1 4.09Å; E573-F581 WeakPolarHBondContact OE2-CB 3.43Å; E573-S582 CarbonylContact C-O 3.55Å; E573-S582 VanDerWaalsContact CA-O 3.25Å; E573-S582 WeakPolarHBondContact CA-O 3.32Å; E573-R583 HydrophobicContact CG-CB 4.39Å; E573-Y607 CarbonylContact O-C 3.57Å; E573-Y607 VanDerWaalsContact O-CA 3.24Å; E573-Y607 WeakPolarHBondContact O-CA 3.1Å; E573-R608 HydrophobicContact CB-CG 3.97Å; E573-R608 PolarHBondContact N-O 3.42Å; E573-R608 PolarHBondContact O-N 2.87Å; E573-R608 IonicContact OE2-CZ 3.17Å; E573-R608 IonicContact OE2-NE 2.8Å; E573-R608 PolarHBondContact OE2-NE 3.45Å; E573-R608 IonicContact OE2-NH2 2.7Å; E573-R608 PolarHBondContact OE2-NH2 3.46Å; E573-Y621 VanDerWaalsContact CD-CE1 3.49Å; E573-Y621 HydrophobicContact CG-CE1 4.02Å; E573-Y621 PolarHBondContact OE1-OH 3.41Å; E573-Y621 WeakPolarHBondContact OE2-CE1 3.21Å; E573-Y621 VanDerWaalsContact OE2-CZ 3.28Å; E573-Y621 PolarHBondContact OE2-OH 3.18Å
574	F	98.1	Very high	94.5	Very high	17 Å²	17	48.7 Å²	48.7	8%	0.075	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	143.9	-177.5	175.2	-122.5	0	0	0	111.2	T576 F581 S582 V584 K602 V603 G604 L606 Y607	F574-T576 HydrophobicContact CE1-CG2 3.52Å; F574-T576 HydrophobicContact CZ-CG2 3.53Å; F574-F581 WeakPolarHBondContact O-CA 3.33Å; F574-S582 PolarHBondContact N-O 3.02Å; F574-S582 PolarHBondContact O-N 2.95Å; F574-V584 HydrophobicContact CB-CG1 3.48Å; F574-V584 VanDerWaalsContact CB-CG1 3.48Å; F574-V584 HydrophobicContact CB-CG2 4.45Å; F574-V584 HydrophobicContact CD1-CG1 4.36Å; F574-V584 HydrophobicContact CG-CG1 4.36Å; F574-K602 VanDerWaalsContact CE1-O 3.27Å; F574-K602 WeakPolarHBondContact CE1-O 3.3Å; F574-V603 WeakPolarHBondContact CE2-O 3.45Å; F574-G604 WeakPolarHBondContact CZ-O 3.47Å; F574-L606 CarbonylContact C-O 3.6Å; F574-L606 WeakPolarHBondContact CA-O 3.37Å; F574-L606 WeakPolarHBondContact CD2-O 3.44Å; F574-Y607 HydrophobicContact CB-CD1 4.11Å; F574-Y607 HydrophobicContact CB-CE1 3.86Å; F574-Y607 HydrophobicContact CD2-CD1 4.01Å; F574-Y607 AromaticContact CD2-CD2 3.98Å; F574-Y607 HydrophobicContact CD2-CD2 3.98Å; F574-Y607 AromaticContact CD2-CE1 3.53Å; F574-Y607 HydrophobicContact CD2-CE1 3.53Å; F574-Y607 AromaticContact CD2-CE2 3.49Å; F574-Y607 HydrophobicContact CD2-CE2 3.49Å; F574-Y607 VanDerWaalsContact CD2-CE2 3.49Å; F574-Y607 HydrophobicContact CD2-CG 4.2Å; F574-Y607 AromaticContact CD2-CZ 3.23Å; F574-Y607 WeakPolarHBondContact CD2-OH 3.49Å; F574-Y607 HydrophobicContact CE2-CD2 4.38Å; F574-Y607 HydrophobicContact CE2-CE1 4.3Å; F574-Y607 AromaticContact CE2-CE2 3.6Å; F574-Y607 HydrophobicContact CE2-CE2 3.6Å; F574-Y607 AromaticContact CE2-CZ 3.54Å; F574-Y607 WeakPolarHBondContact CE2-OH 3.25Å; F574-Y607 HydrophobicContact CG-CD1 4.45Å; F574-Y607 AromaticContact CG-CE1 3.89Å; F574-Y607 HydrophobicContact CG-CE1 3.89Å; F574-Y607 AromaticContact CG-CZ 3.95Å
575	S	96.8	Very high	94.8	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.014	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	130.3	175.6	-179.2	0	0	0	0	111.2	D577 Q578 K579 E580 G605 L606	S575-D577 PolarHBondContact OG-OD1 3.29Å; S575-Q578 WeakPolarHBondContact OG-CA 3.34Å; S575-Q578 PolarHBondContact OG-N 2.97Å; S575-K579 PolarHBondContact OG-N 3.46Å; S575-E580 WeakPolarHBondContact CA-O 3.48Å; S575-E580 WeakPolarHBondContact CB-O 3.48Å; S575-E580 PolarHBondContact OG-O 3.44Å; S575-G605 CarbonylContact O-C 3.53Å; S575-G605 WeakPolarHBondContact O-CA 3.37Å; S575-L606 PolarHBondContact N-O 3.32Å; S575-L606 PolarHBondContact O-N 2.86Å
576	T	92.1	Very high	94.5	Very high	84 Å²	84	52.1 Å²	52.1	52%	0.515	27%	0.271	S	S	.	.	S	Bend	trans	-90.6	-27.1	173.7	54.4	0	0	0	0	112.8	F574	F574-T576 HydrophobicContact CE1-CG2 3.52Å; F574-T576 HydrophobicContact CZ-CG2 3.53Å
577	D	84.9	Confident	94.2	Very high	76 Å²	76	56.6 Å²	56.6	41%	0.406	29%	0.292	S	S	.	.	S	Bend	trans	-103	-1	-174.8	71.8	-10.2	0	0	0	113.7	S575 K579 E580	S575-D577 PolarHBondContact OG-OD1 3.29Å; D577-K579 PolarHBondContact O-N 2.93Å; D577-K579 PolarHBondContact OD1-N 3.11Å; D577-E580 PolarHBondContact OD1-N 3.14Å
578	Q	80.3	Confident	94.1	Very high	113 Å²	113	59.2 Å²	59.2	53%	0.528	31%	0.306	S	S	.	.	S	Bend	trans	66.6	10.1	-178.2	-46.1	174.5	40.5	0	0	114.7	S575 L606	S575-Q578 WeakPolarHBondContact OG-CA 3.34Å; S575-Q578 PolarHBondContact OG-N 2.97Å; Q578-L606 HydrophobicContact CB-CD1 3.8Å; Q578-L606 HydrophobicContact CG-CD1 3.74Å; Q578-L606 HydrophobicContact CG-CG 4.38Å
579	K	81.9	Confident	94	Very high	180 Å²	180	55.9 Å²	55.9	78%	0.783	29%	0.292	S	S	*	.	S	Bend	trans	-119.6	-48.8	-176.9	-65.4	-178.3	-177.2	179.1	0	111.3	S575 D577	S575-K579 PolarHBondContact OG-N 3.46Å; D577-K579 PolarHBondContact O-N 2.93Å; D577-K579 PolarHBondContact OD1-N 3.11Å
580	E	92.6	Very high	93.9	Very high	154 Å²	154	56.4 Å²	56.4	72%	0.72	30%	0.295	S	S	*	.			trans	-104.6	116.2	-178.5	-65.4	-172.3	178.7	0	0	109.8	S575 D577	S575-E580 WeakPolarHBondContact CA-O 3.48Å; S575-E580 WeakPolarHBondContact CB-O 3.48Å; S575-E580 PolarHBondContact OG-O 3.44Å; D577-E580 PolarHBondContact OD1-N 3.14Å
581	F	96.8	Very high	93.9	Very high	47 Å²	47	56.4 Å²	56.4	21%	0.206	30%	0.295	C	S	.	.			trans	-98.8	137.1	173.9	-78	-93.2	0	0	0	109.5	E573 F574 L606 R608	E573-F581 HydrophobicContact CB-CB 4.11Å; E573-F581 HydrophobicContact CB-CD1 4.09Å; E573-F581 WeakPolarHBondContact OE2-CB 3.43Å; F574-F581 WeakPolarHBondContact O-CA 3.33Å; F581-L606 HydrophobicContact CE1-CB 3.95Å; F581-L606 HydrophobicContact CZ-CB 3.84Å; F581-L606 HydrophobicContact CZ-CD1 4.3Å; F581-R608 HydrophobicContact CD1-CG 3.82Å; F581-R608 HydrophobicContact CE1-CG 3.86Å
582	S	96.4	Very high	93.9	Very high	73 Å²	73	55 Å²	55	51%	0.51	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144	172.4	59.7	0	0	0	0	111.1	E573 F574 V584	E573-S582 CarbonylContact C-O 3.55Å; E573-S582 VanDerWaalsContact CA-O 3.25Å; E573-S582 WeakPolarHBondContact CA-O 3.32Å; F574-S582 PolarHBondContact N-O 3.02Å; F574-S582 PolarHBondContact O-N 2.95Å; S582-V584 PolarHBondContact O-N 3.16Å
583	R	97.4	Very high	93.9	Very high	85 Å²	85	55.6 Å²	55.6	32%	0.321	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	128.6	177.4	-178.2	176.7	169.8	178.5	-7.7	110	E571 V572 E573 N585 D588	E571-R583 IonicContact OE1-NH1 3.12Å; E571-R583 PolarHBondContact OE1-NH1 3.34Å; E571-R583 VanDerWaalsContact OE1-NH1 3.15Å; V572-R583 CarbonylContact O-C 3.58Å; V572-R583 WeakPolarHBondContact O-CA 3.31Å; E573-R583 HydrophobicContact CG-CB 4.39Å; R583-N585 PolarHBondContact NE-O 2.84Å; R583-N585 PolarHBondContact NE-OD1 3.19Å; R583-N585 PolarHBondContact NH2-O 3Å; R583-D588 IonicContact CZ-OD1 3.93Å; R583-D588 IonicContact NH1-OD1 2.71Å; R583-D588 IonicContact NH2-OD1 2.76Å; R583-D588 PolarHBondContact NH2-OD1 2.93Å
584	V	97.3	Very high	93.8	Very high	28 Å²	28	57.6 Å²	57.6	17%	0.17	30%	0.3	C	S	.	.			trans	-104.9	-26.7	-176.5	-68	0	0	0	0	114.1	V572 F574 S582 A586 Y594 H596	V572-V584 HydrophobicContact CB-CG2 4.03Å; V572-V584 HydrophobicContact CG1-CG2 3.76Å; V572-V584 WeakPolarHBondContact O-CG2 3.15Å; V572-V584 PolarHBondContact O-N 3.23Å; F574-V584 HydrophobicContact CB-CG1 3.48Å; F574-V584 VanDerWaalsContact CB-CG1 3.48Å; F574-V584 HydrophobicContact CB-CG2 4.45Å; F574-V584 HydrophobicContact CD1-CG1 4.36Å; F574-V584 HydrophobicContact CG-CG1 4.36Å; S582-V584 PolarHBondContact O-N 3.16Å; V584-A586 PolarHBondContact O-N 3.13Å; V584-Y594 HydrophobicContact CB-CE1 4.46Å; V584-Y594 HydrophobicContact CG2-CD1 4.44Å; V584-Y594 HydrophobicContact CG2-CE1 3.88Å; V584-Y594 PolarHBondContact O-OH 3.24Å; V584-Y594 VanDerWaalsContact O-OH 3.05Å; V584-H596 VanDerWaalsContact CG1-CE1 3.46Å; V584-H596 WeakPolarHBondContact CG1-CE1 3.28Å
585	N	96	Very high	93.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.3	C	S	.	.			trans	-84.8	109	174.1	66.4	-52.6	0	0	0	110.6	F570 V572 R583 Q587 Y594	F570-N585 PolarHBondContact O-ND2 2.97Å; V572-N585 PolarHBondContact N-OD1 3.42Å; V572-N585 PolarHBondContact O-OD1 2.84Å; R583-N585 PolarHBondContact NE-O 2.84Å; R583-N585 PolarHBondContact NE-OD1 3.19Å; R583-N585 PolarHBondContact NH2-O 3Å; N585-Q587 PolarHBondContact ND2-O 3.27Å; N585-Y594 HydrophobicContact CB-CD1 4.15Å; N585-Y594 HydrophobicContact CB-CD2 3.64Å; N585-Y594 HydrophobicContact CB-CE1 4.02Å; N585-Y594 HydrophobicContact CB-CE2 3.51Å; N585-Y594 HydrophobicContact CB-CG 3.97Å
586	A	89.4	Confident	93.9	Very high	100 Å²	100	57.8 Å²	57.8	83%	0.826	30%	0.301	S	S	*	.			trans	-73.8	-36.2	-177.8	0	0	0	0	0	113.5	V584	V584-A586 PolarHBondContact O-N 3.13Å
587	Q	91.8	Very high	94.2	Very high	93 Å²	93	54.2 Å²	54.2	44%	0.435	28%	0.28	S	S	.	.	S	Bend	trans	-88.5	145	176.6	-69.5	179.1	-18.4	0	0	110	S495 N585	S495-Q587 PolarHBondContact O-NE2 3.32Å; S495-Q587 VanDerWaalsContact O-NE2 3.11Å; S495-Q587 PolarHBondContact O-OE1 2.87Å; N585-Q587 PolarHBondContact ND2-O 3.27Å
588	D	95	Very high	94.8	Very high	59 Å²	59	52 Å²	52	32%	0.316	27%	0.269	S	S	.	.			trans	-72.5	139.9	171.3	-73.4	-23.8	0	0	0	109.8	K568 T569 R583	K568-D588 WeakPolarHBondContact CE-OD2 3.41Å; K568-D588 IonicContact NZ-OD2 3.33Å; T569-D588 VanDerWaalsContact CB-OD1 3.25Å; T569-D588 WeakPolarHBondContact CB-OD1 3.49Å; T569-D588 WeakPolarHBondContact CG2-OD1 2.97Å; T569-D588 VanDerWaalsContact OG1-CA 3.28Å; T569-D588 WeakPolarHBondContact OG1-CA 3.21Å; T569-D588 PolarHBondContact OG1-OD1 3.01Å; R583-D588 IonicContact CZ-OD1 3.93Å; R583-D588 IonicContact NH1-OD1 2.71Å; R583-D588 IonicContact NH2-OD1 2.76Å; R583-D588 PolarHBondContact NH2-OD1 2.93Å
589	T	95	Very high	95.5	Very high	10 Å²	10	52 Å²	52	6%	0.061	28%	0.277	C	S	.	.			trans	-143.4	143.2	179.3	-168	0	0	0	0	111	T569 F570 F591	T569-T589 WeakPolarHBondContact CA-O 3.45Å; T569-T589 PolarHBondContact OG1-N 3.28Å; F570-T589 PolarHBondContact N-O 3.02Å; T589-F591 PolarHBondContact OG1-N 3.47Å
590	I	96.3	Very high	96.1	Very high	13 Å²	13	48.1 Å²	48.1	7%	0.067	27%	0.265	C	S	.	.			trans	-94.7	-6.5	171.9	63.6	172.1	0	0	0	112.1	P72 L382 L385 Y463	P72-I590 WeakPolarHBondContact CB-O 3.43Å; P72-I590 HydrophobicContact CG-CD1 4.25Å; P72-I590 HydrophobicContact CG-CG1 4.29Å; L382-I590 HydrophobicContact CD2-CD1 4.37Å; L385-I590 HydrophobicContact CD1-CD1 4.16Å; Y463-I590 HydrophobicContact CE1-CG2 4.29Å
591	F	98.1	Very high	96.2	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.009	26%	0.257	C	S	.	.	S	Bend	trans	-79.9	146.4	177.9	-79.5	-103.2	0	0	0	110.5	S70 V71 R373 L377 W557 T589 S593	S70-F591 WeakPolarHBondContact O-CA 3.46Å; S70-F591 WeakPolarHBondContact O-CD1 3.35Å; V71-F591 HydrophobicContact CG2-CE1 4.09Å; R373-F591 VanDerWaalsContact NH1-CD2 3.34Å; L377-F591 HydrophobicContact CG-CE1 4.31Å; W557-F591 VanDerWaalsContact CZ2-O 3.23Å; W557-F591 WeakPolarHBondContact CZ2-O 3.25Å; T589-F591 PolarHBondContact OG1-N 3.47Å; F591-S593 PolarHBondContact O-N 2.88Å; F591-S593 VanDerWaalsContact O-N 3.14Å
592	T	98.2	Very high	96.2	Very high	3 Å²	3	50 Å²	50	2%	0.018	27%	0.272	C	S	.	.	S	Bend	trans	-88.6	31.7	-177.6	61.6	0	0	0	0	113.4	S70 W557 D559 F570	S70-T592 VanDerWaalsContact CA-OG1 3.24Å; S70-T592 WeakPolarHBondContact CA-OG1 3.34Å; S70-T592 PolarHBondContact O-N 2.96Å; S70-T592 PolarHBondContact O-OG1 3.29Å; W557-T592 VanDerWaalsContact CE2-C 3.49Å; W557-T592 PolarHBondContact N-O 3.5Å; W557-T592 VanDerWaalsContact O-CB 3.25Å; W557-T592 WeakPolarHBondContact O-CB 3.45Å; W557-T592 PolarHBondContact O-OG1 3.05Å; D559-T592 HydrophobicContact CB-CG2 3.74Å; F570-T592 HydrophobicContact CE2-CG2 4.24Å; F570-T592 HydrophobicContact CZ-CG2 4.29Å
593	S	98.1	Very high	96.2	Very high	12 Å²	12	46.5 Å²	46.5	8%	0.084	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	149.1	177.8	69.1	0	0	0	0	111.8	S70 V555 F591	S70-S593 VanDerWaalsContact CB-OG 3.26Å; S70-S593 WeakPolarHBondContact CB-OG 3.44Å; S70-S593 PolarHBondContact OG-OG 3.24Å; V555-S593 CarbonylContact O-C 3.55Å; V555-S593 VanDerWaalsContact O-CA 3.24Å; V555-S593 WeakPolarHBondContact O-CA 3.2Å; F591-S593 PolarHBondContact O-N 2.88Å; F591-S593 VanDerWaalsContact O-N 3.14Å
594	Y	98.3	Very high	96.1	Very high	59 Å²	59	44 Å²	44	23%	0.231	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	131	177.5	172.3	-106.4	0	0	0	111.4	V555 V572 V584 N585 H596	V555-Y594 PolarHBondContact N-O 2.86Å; V555-Y594 PolarHBondContact O-N 2.84Å; V572-Y594 HydrophobicContact CB-CD1 4.46Å; V572-Y594 HydrophobicContact CG1-CD1 4.38Å; V572-Y594 HydrophobicContact CG2-CD1 4.41Å; V572-Y594 HydrophobicContact CG2-CG 4.48Å; V584-Y594 HydrophobicContact CB-CE1 4.46Å; V584-Y594 HydrophobicContact CG2-CD1 4.44Å; V584-Y594 HydrophobicContact CG2-CE1 3.88Å; V584-Y594 PolarHBondContact O-OH 3.24Å; V584-Y594 VanDerWaalsContact O-OH 3.05Å; N585-Y594 HydrophobicContact CB-CD1 4.15Å; N585-Y594 HydrophobicContact CB-CD2 3.64Å; N585-Y594 HydrophobicContact CB-CE1 4.02Å; N585-Y594 HydrophobicContact CB-CE2 3.51Å; N585-Y594 HydrophobicContact CB-CG 3.97Å; Y594-H596 HydrophobicContact CD1-CB 4.15Å; Y594-H596 HydrophobicContact CE1-CB 3.72Å; Y594-H596 AromaticContact CE1-ND1 3.88Å; Y594-H596 PolarHBondContact O-N 3.42Å
595	V	98.5	Very high	96.1	Very high	13 Å²	13	42.9 Å²	42.9	8%	0.079	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	110.9	172.4	179.4	0	0	0	0	110	Y67 I548 L554	Y67-V595 WeakPolarHBondContact OH-CG2 3.43Å; I548-V595 HydrophobicContact CD1-CB 4.46Å; I548-V595 HydrophobicContact CD1-CG1 3.6Å; I548-V595 HydrophobicContact CD1-CG2 4.06Å; L554-V595 HydrophobicContact CD1-CG2 3.63Å
596	H	98.2	Very high	96.1	Very high	9 Å²	9	44.1 Å²	44.1	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	111.7	173.9	-171	50.7	0	0	0	110.6	Q552 V553 V555 V584 Y594 Y607	Q552-H596 WeakPolarHBondContact CA-O 3.42Å; V553-H596 HydrophobicContact CG1-CB 4.04Å; V553-H596 PolarHBondContact N-O 3.34Å; V553-H596 VanDerWaalsContact N-O 3.11Å; V553-H596 PolarHBondContact O-N 2.84Å; V555-H596 HydrophobicContact CG2-CB 4.45Å; V584-H596 VanDerWaalsContact CG1-CE1 3.46Å; V584-H596 WeakPolarHBondContact CG1-CE1 3.28Å; Y594-H596 HydrophobicContact CD1-CB 4.15Å; Y594-H596 HydrophobicContact CE1-CB 3.72Å; Y594-H596 AromaticContact CE1-ND1 3.88Å; Y594-H596 PolarHBondContact O-N 3.42Å; H596-Y607 AromaticContact CD2-CE1 3.96Å; H596-Y607 AromaticContact CD2-CZ 3.98Å; H596-Y607 PolarHBondContact CD2-OH 2.92Å
597	S	97.6	Very high	96.6	Very high	10 Å²	10	39.4 Å²	39.4	7%	0.07	21%	0.21	C	C	.	.			trans	-136	69.9	-178	171.1	0	0	0	0	110.4	R491	R491-S597 WeakPolarHBondContact CD-O 3.36Å
598	P	96.9	Very high	96.9	Very high	28 Å²	28	37.7 Å²	37.7	18%	0.182	20%	0.2	C	C	.	.			trans	-70.6	157.2	-175.7	32.2	-36.3	0	0	0	112.3	D600 Q601 K602 V603	P598-D600 VanDerWaalsContact C-N 3.32Å; P598-D600 WeakPolarHBondContact CB-OD1 3.46Å; P598-D600 PolarHBondContact O-N 3.48Å; P598-Q601 PolarHBondContact O-N 3.35Å; P598-K602 WeakPolarHBondContact CG-O 3.35Å; P598-V603 HydrophobicContact CG-CG1 3.87Å
599	V	96.3	Very high	97.1	Very high	114 Å²	114	34.9 Å²	34.9	69%	0.691	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-34.9	-178.5	176.5	0	0	0	0	112	Q601	V599-Q601 PolarHBondContact O-N 2.96Å
600	D	94.4	Very high	97.2	Very high	99 Å²	99	36.9 Å²	36.9	53%	0.529	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	1.7	177.7	70	-9.1	0	0	0	113.5	P598 K602	P598-D600 VanDerWaalsContact C-N 3.32Å; P598-D600 WeakPolarHBondContact CB-OD1 3.46Å; P598-D600 PolarHBondContact O-N 3.48Å; D600-K602 PolarHBondContact O-N 2.83Å; D600-K602 VanDerWaalsContact O-N 3.12Å; D600-K602 PolarHBondContact OD1-N 2.68Å; D600-K602 VanDerWaalsContact OD1-N 3.16Å; D600-K602 WeakPolarHBondContact OD2-CD 3.4Å
601	Q	95.1	Very high	97.3	Very high	116 Å²	116	36.3 Å²	36.3	54%	0.542	19%	0.188	S	C	.	.			trans	60	14.1	179.4	-55.9	-177.3	9.5	0	0	114.8	G551 P598 V599 V603	G551-Q601 WeakPolarHBondContact CA-O 3.35Å; P598-Q601 PolarHBondContact O-N 3.35Å; V599-Q601 PolarHBondContact O-N 2.96Å; Q601-V603 PolarHBondContact O-N 2.95Å
602	K	95.1	Very high	97.3	Very high	124 Å²	124	36.7 Å²	36.7	54%	0.539	19%	0.19	S	C	.	.			trans	-84.2	101.9	180	-68.3	-175.1	-175.7	172.9	0	111.1	F574 P598 D600	F574-K602 VanDerWaalsContact CE1-O 3.27Å; F574-K602 WeakPolarHBondContact CE1-O 3.3Å; P598-K602 WeakPolarHBondContact CG-O 3.35Å; D600-K602 PolarHBondContact O-N 2.83Å; D600-K602 VanDerWaalsContact O-N 3.12Å; D600-K602 PolarHBondContact OD1-N 2.68Å; D600-K602 VanDerWaalsContact OD1-N 3.16Å; D600-K602 WeakPolarHBondContact OD2-CD 3.4Å
603	V	96.8	Very high	97.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.			trans	-118.2	-11.8	176	-58.2	0	0	0	0	113.3	G551 V553 F574 P598 Q601 G605 Y607 F627 D629	G551-V603 VanDerWaalsContact C-CG1 3.47Å; G551-V603 VanDerWaalsContact O-CG1 3.27Å; G551-V603 WeakPolarHBondContact O-CG1 3.38Å; V553-V603 HydrophobicContact CG1-CB 4.08Å; V553-V603 HydrophobicContact CG1-CG1 4.38Å; F574-V603 WeakPolarHBondContact CE2-O 3.45Å; P598-V603 HydrophobicContact CG-CG1 3.87Å; Q601-V603 PolarHBondContact O-N 2.95Å; V603-G605 PolarHBondContact O-N 2.95Å; V603-Y607 WeakPolarHBondContact CA-OH 3.33Å; V603-Y607 WeakPolarHBondContact O-CE2 3.5Å; V603-Y607 PolarHBondContact O-OH 3.3Å; V603-F627 HydrophobicContact CB-CD1 4.47Å; V603-F627 HydrophobicContact CB-CE1 4.46Å; V603-F627 HydrophobicContact CG2-CD1 4.17Å; V603-F627 HydrophobicContact CG2-CE1 3.77Å; V603-F627 WeakPolarHBondContact O-CD1 3.34Å; V603-D629 HydrophobicContact CG2-CB 3.96Å; V603-D629 VanDerWaalsContact CG2-CG 3.48Å
604	G	96.6	Very high	97.3	Very high	32 Å²	32	36.5 Å²	36.5	33%	0.33	19%	0.188	S	C	.	.			trans	-75.2	122.4	176	0	0	0	0	0	112	F574 F627	F574-G604 WeakPolarHBondContact CZ-O 3.47Å; G604-F627 WeakPolarHBondContact CA-O 3.43Å
605	G	96.2	Very high	97.3	Very high	4 Å²	4	35.9 Å²	35.9	4%	0.041	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.6	-160	-177	0	0	0	0	0	113.4	S575 V603 R626 F627	S575-G605 CarbonylContact O-C 3.53Å; S575-G605 WeakPolarHBondContact O-CA 3.37Å; V603-G605 PolarHBondContact O-N 2.95Å; G605-R626 CarbonylContact O-C 3.54Å; G605-R626 WeakPolarHBondContact O-CA 3.46Å; G605-F627 PolarHBondContact N-O 3.21Å; G605-F627 PolarHBondContact O-N 3.02Å
606	L	97.6	Very high	97.2	Very high	27 Å²	27	37.4 Å²	37.4	14%	0.141	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	134.1	175.2	-72.5	172.4	0	0	0	110.3	F574 S575 Q578 F581 E625 R626	F574-L606 CarbonylContact C-O 3.6Å; F574-L606 WeakPolarHBondContact CA-O 3.37Å; F574-L606 WeakPolarHBondContact CD2-O 3.44Å; S575-L606 PolarHBondContact N-O 3.32Å; S575-L606 PolarHBondContact O-N 2.86Å; Q578-L606 HydrophobicContact CB-CD1 3.8Å; Q578-L606 HydrophobicContact CG-CD1 3.74Å; Q578-L606 HydrophobicContact CG-CG 4.38Å; F581-L606 HydrophobicContact CE1-CB 3.95Å; F581-L606 HydrophobicContact CZ-CB 3.84Å; F581-L606 HydrophobicContact CZ-CD1 4.3Å; L606-E625 WeakPolarHBondContact CA-O 3.27Å; L606-R626 HydrophobicContact CD2-CB 3.87Å
607	Y	98.6	Very high	97.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	150.3	170.5	-66.8	-96.6	0	0	0	110.6	L543 F545 V555 V572 E573 F574 H596 V603 P624 E625 F627	L543-Y607 WeakPolarHBondContact CD2-O 3.45Å; F545-Y607 HydrophobicContact CD1-CD2 4.44Å; F545-Y607 HydrophobicContact CE1-CD1 4.47Å; F545-Y607 AromaticContact CE1-CD2 3.48Å; F545-Y607 HydrophobicContact CE1-CD2 3.48Å; F545-Y607 VanDerWaalsContact CE1-CD2 3.48Å; F545-Y607 HydrophobicContact CE1-CE2 4.22Å; F545-Y607 AromaticContact CE1-CG 3.65Å; F545-Y607 HydrophobicContact CE1-CG 3.65Å; F545-Y607 AromaticContact CZ-CD2 3.71Å; F545-Y607 HydrophobicContact CZ-CD2 3.71Å; F545-Y607 HydrophobicContact CZ-CG 4.02Å; V555-Y607 HydrophobicContact CG2-CD1 4.1Å; V555-Y607 HydrophobicContact CG2-CE1 4.11Å; V572-Y607 HydrophobicContact CG1-CD1 4.26Å; E573-Y607 CarbonylContact O-C 3.57Å; E573-Y607 VanDerWaalsContact O-CA 3.24Å; E573-Y607 WeakPolarHBondContact O-CA 3.1Å; F574-Y607 HydrophobicContact CB-CD1 4.11Å; F574-Y607 HydrophobicContact CB-CE1 3.86Å; F574-Y607 HydrophobicContact CD2-CD1 4.01Å; F574-Y607 AromaticContact CD2-CD2 3.98Å; F574-Y607 HydrophobicContact CD2-CD2 3.98Å; F574-Y607 AromaticContact CD2-CE1 3.53Å; F574-Y607 HydrophobicContact CD2-CE1 3.53Å; F574-Y607 AromaticContact CD2-CE2 3.49Å; F574-Y607 HydrophobicContact CD2-CE2 3.49Å; F574-Y607 VanDerWaalsContact CD2-CE2 3.49Å; F574-Y607 HydrophobicContact CD2-CG 4.2Å; F574-Y607 AromaticContact CD2-CZ 3.23Å; F574-Y607 WeakPolarHBondContact CD2-OH 3.49Å; F574-Y607 HydrophobicContact CE2-CD2 4.38Å; F574-Y607 HydrophobicContact CE2-CE1 4.3Å; F574-Y607 AromaticContact CE2-CE2 3.6Å; F574-Y607 HydrophobicContact CE2-CE2 3.6Å; F574-Y607 AromaticContact CE2-CZ 3.54Å; F574-Y607 WeakPolarHBondContact CE2-OH 3.25Å; F574-Y607 HydrophobicContact CG-CD1 4.45Å; F574-Y607 AromaticContact CG-CE1 3.89Å; F574-Y607 HydrophobicContact CG-CE1 3.89Å; F574-Y607 AromaticContact CG-CZ 3.95Å; H596-Y607 AromaticContact CD2-CE1 3.96Å; H596-Y607 AromaticContact CD2-CZ 3.98Å; H596-Y607 PolarHBondContact CD2-OH 2.92Å; V603-Y607 WeakPolarHBondContact CA-OH 3.33Å; V603-Y607 WeakPolarHBondContact O-CE2 3.5Å; V603-Y607 PolarHBondContact O-OH 3.3Å; Y607-P624 CarbonylContact O-C 3.6Å; Y607-P624 WeakPolarHBondContact O-CA 3.47Å; Y607-E625 PolarHBondContact N-O 3.03Å; Y607-E625 PolarHBondContact O-N 3.49Å; Y607-F627 HydrophobicContact CD2-CB 4.03Å; Y607-F627 HydrophobicContact CE2-CB 3.74Å
608	R	98.2	Very high	97.1	Very high	58 Å²	58	41.9 Å²	41.9	22%	0.219	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	150.9	167.3	63.2	-177.2	-172.4	-176.5	1.7	109.6	E573 F581 Y621 P624	E573-R608 HydrophobicContact CB-CG 3.97Å; E573-R608 PolarHBondContact N-O 3.42Å; E573-R608 PolarHBondContact O-N 2.87Å; E573-R608 IonicContact OE2-CZ 3.17Å; E573-R608 IonicContact OE2-NE 2.8Å; E573-R608 PolarHBondContact OE2-NE 3.45Å; E573-R608 IonicContact OE2-NH2 2.7Å; E573-R608 PolarHBondContact OE2-NH2 3.46Å; F581-R608 HydrophobicContact CD1-CG 3.82Å; F581-R608 HydrophobicContact CE1-CG 3.86Å; R608-Y621 HydrophobicContact CB-CD1 4.11Å; R608-Y621 HydrophobicContact CB-CG 4.48Å; R608-Y621 HydrophobicContact CG-CD1 3.54Å; R608-Y621 HydrophobicContact CG-CE1 3.97Å; R608-Y621 HydrophobicContact CG-CG 4.09Å; R608-P624 HydrophobicContact CB-CB 4.42Å; R608-P624 HydrophobicContact CB-CG 4.43Å
609	V	98.6	Very high	97.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.8	-177.6	-174.8	0	0	0	0	110.1	V540 L543 W557 F570 E571 V572 Y621 S622	V540-V609 HydrophobicContact CG1-CB 4.28Å; V540-V609 HydrophobicContact CG1-CG1 4.26Å; L543-V609 HydrophobicContact CD1-CG2 3.75Å; L543-V609 HydrophobicContact CD2-CG2 4.45Å; W557-V609 HydrophobicContact CD2-CB 4.41Å; W557-V609 HydrophobicContact CD2-CG1 3.8Å; W557-V609 HydrophobicContact CD2-CG2 4.22Å; W557-V609 HydrophobicContact CE3-CG1 4.2Å; W557-V609 HydrophobicContact CE3-CG2 3.92Å; W557-V609 HydrophobicContact CG-CG1 4.11Å; W557-V609 HydrophobicContact CZ2-CG1 4.27Å; W557-V609 HydrophobicContact CZ3-CG2 4.41Å; F570-V609 HydrophobicContact CB-CG1 4.01Å; F570-V609 HydrophobicContact CD1-CG1 4.42Å; E571-V609 VanDerWaalsContact O-CA 3.31Å; E571-V609 WeakPolarHBondContact O-CA 3.38Å; V572-V609 HydrophobicContact CB-CG2 4.45Å; V572-V609 HydrophobicContact CG1-CG2 4.22Å; V572-V609 HydrophobicContact CG2-CG1 4.4Å; V572-V609 HydrophobicContact CG2-CG2 4.13Å; V609-Y621 CarbonylContact O-C 3.44Å; V609-Y621 WeakPolarHBondContact O-CA 3.45Å; V609-S622 PolarHBondContact N-OG 3.15Å; V609-S622 VanDerWaalsContact N-OG 3.08Å; V609-S622 PolarHBondContact O-N 3.01Å
610	R	98.1	Very high	97.2	Very high	52 Å²	52	39 Å²	39	20%	0.196	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	150	169.2	64.8	177.9	-178.9	-166.5	-4.2	111.6	F570 E571 Y621	F570-R610 CarbonylContact C-O 3.5Å; F570-R610 VanDerWaalsContact CA-O 3.31Å; F570-R610 WeakPolarHBondContact CA-O 3.26Å; E571-R610 HydrophobicContact CB-CG 4.08Å; E571-R610 PolarHBondContact N-O 2.79Å; E571-R610 PolarHBondContact O-N 2.86Å; E571-R610 VanDerWaalsContact O-N 3.1Å; E571-R610 IonicContact OE2-CZ 3.18Å; E571-R610 IonicContact OE2-NE 2.81Å; E571-R610 PolarHBondContact OE2-NE 3.48Å; E571-R610 IonicContact OE2-NH2 2.71Å; E571-R610 PolarHBondContact OE2-NH2 3.29Å; R610-Y621 HydrophobicContact CB-CD1 3.79Å; R610-Y621 HydrophobicContact CB-CE1 4.18Å; R610-Y621 HydrophobicContact CB-CG 4.22Å; R610-Y621 HydrophobicContact CG-CD1 3.81Å; R610-Y621 HydrophobicContact CG-CE1 3.66Å; R610-Y621 PolarHBondContact NE-OH 3.23Å; R610-Y621 PolarHBondContact NH1-OH 3.29Å; R610-Y621 VanDerWaalsContact NH1-OH 3.1Å; R610-Y621 PolarHBondContact NH2-OH 3.44Å
611	A	98.4	Very high	97.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	146.4	168.9	0	0	0	0	0	110.6	P537 V540 V562 I567 F570 G619	P537-A611 HydrophobicContact CB-CB 3.72Å; P537-A611 HydrophobicContact CG-CB 4.32Å; V540-A611 HydrophobicContact CG2-CB 4.21Å; V562-A611 HydrophobicContact CG1-CB 4.02Å; V562-A611 HydrophobicContact CG2-CB 4.33Å; I567-A611 HydrophobicContact CD1-CB 4.22Å; I567-A611 HydrophobicContact CG2-CB 4.41Å; F570-A611 HydrophobicContact CD1-CB 3.96Å; F570-A611 HydrophobicContact CE1-CB 3.74Å; A611-G619 PolarHBondContact O-N 3.22Å
612	V	98.2	Very high	97.4	Very high	10 Å²	10	31.3 Å²	31.3	6%	0.061	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.3	171.6	-180	0	0	0	0	108.1	K568 T569 E571 P618	K568-V612 WeakPolarHBondContact CB-O 3.43Å; K568-V612 PolarHBondContact N-O 2.9Å; T569-V612 HydrophobicContact CG2-CB 3.99Å; T569-V612 HydrophobicContact CG2-CG2 4.35Å; T569-V612 PolarHBondContact N-O 2.65Å; T569-V612 PolarHBondContact O-N 3.25Å; E571-V612 HydrophobicContact CG-CG2 3.7Å; V612-P618 HydrophobicContact CG2-CB 4.38Å
613	D	97.9	Very high	97.5	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.011	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	176.4	-178.4	68.9	19.4	0	0	0	113.6	P537 C566 K568 W615 G616 R617	P537-D613 HydrophobicContact CG-CB 3.76Å; C566-D613 CarbonylContact O-C 3.54Å; C566-D613 VanDerWaalsContact O-CA 3.27Å; C566-D613 WeakPolarHBondContact O-CA 3.23Å; C566-D613 WeakPolarHBondContact O-CB 3.36Å; K568-D613 WeakPolarHBondContact CB-O 3.36Å; D613-W615 HydrophobicContact CB-CE3 4.07Å; D613-W615 HydrophobicContact CB-CZ3 4.39Å; D613-W615 PolarHBondContact O-N 2.75Å; D613-W615 VanDerWaalsContact O-N 3.14Å; D613-W615 WeakPolarHBondContact OD1-CA 3.01Å; D613-W615 PolarHBondContact OD1-N 3.11Å; D613-G616 PolarHBondContact O-N 2.96Å; D613-G616 PolarHBondContact OD1-N 2.7Å; D613-R617 PolarHBondContact N-O 2.66Å; D613-R617 VanDerWaalsContact N-O 3.15Å; D613-R617 PolarHBondContact OD1-N 3.2Å; D613-R617 IonicContact OD1-NE 3.91Å; D613-R617 WeakPolarHBondContact OD2-CB 3.36Å; D613-R617 IonicContact OD2-CZ 3.2Å; D613-R617 IonicContact OD2-NE 2.77Å; D613-R617 PolarHBondContact OD2-NE 3.47Å; D613-R617 IonicContact OD2-NH2 3.15Å; D613-R617 PolarHBondContact OD2-NH2 2.49Å
614	Y	97.9	Very high	97.5	Very high	9 Å²	9	34.4 Å²	34.4	4%	0.035	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-12.9	176.4	-66.6	-19.3	0	0	0	115.1	V459 V461 Y463 P504 H528 C530 C566 I567 K568	V459-Y614 HydrophobicContact CG2-CD2 4.05Å; V459-Y614 HydrophobicContact CG2-CG 4.33Å; V461-Y614 HydrophobicContact CB-CE1 4.41Å; V461-Y614 HydrophobicContact CB-CE2 4.43Å; V461-Y614 HydrophobicContact CG2-CD1 3.87Å; V461-Y614 HydrophobicContact CG2-CD2 4.09Å; V461-Y614 HydrophobicContact CG2-CE1 3.75Å; V461-Y614 HydrophobicContact CG2-CE2 3.97Å; V461-Y614 HydrophobicContact CG2-CG 4.04Å; Y463-Y614 PolarHBondContact OH-OH 3.01Å; P504-Y614 VanDerWaalsContact CB-O 3.3Å; P504-Y614 WeakPolarHBondContact CB-O 3.27Å; P504-Y614 HydrophobicContact CG-CD1 4.01Å; P504-Y614 HydrophobicContact CG-CG 4.08Å; P504-Y614 WeakPolarHBondContact CG-O 3.26Å; H528-Y614 AromaticContact ND1-CE2 3.52Å; H528-Y614 AromaticContact ND1-CZ 3.59Å; H528-Y614 PolarHBondContact ND1-OH 2.8Å; C530-Y614 HydrophobicContact CB-CD2 4.02Å; C530-Y614 HydrophobicContact CB-CE2 4.37Å; C530-Y614 VanDerWaalsContact SG-CE2 3.55Å; C566-Y614 HydrophobicContact CB-CD2 3.77Å; C566-Y614 HydrophobicContact CB-CE2 3.99Å; C566-Y614 HydrophobicContact CB-CG 4.32Å; C566-Y614 PolarHBondContact O-N 3.15Å; I567-Y614 WeakPolarHBondContact O-CE1 3.45Å; K568-Y614 HydrophobicContact CB-CD1 3.99Å
615	W	97.3	Very high	97.5	Very high	46 Å²	46	36.9 Å²	36.9	17%	0.174	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	6.7	174.7	-57.4	-86.7	0	0	0	112.3	G457 V459 C530 A531 W532 P533 C566 D613 R617	G457-W615 PolarHBondContact O-NE1 2.93Å; V459-W615 HydrophobicContact CG2-CH2 4.12Å; V459-W615 HydrophobicContact CG2-CZ2 3.54Å; C530-W615 HydrophobicContact CB-CH2 3.71Å; C530-W615 HydrophobicContact CB-CZ2 4.31Å; A531-W615 WeakPolarHBondContact O-CH2 3.12Å; A531-W615 VanDerWaalsContact O-CZ2 3.27Å; A531-W615 WeakPolarHBondContact O-CZ2 3.42Å; W532-W615 HydrophobicContact CB-CZ2 4.4Å; W532-W615 HydrophobicContact CE3-CB 4.39Å; W532-W615 AromaticContact CE3-CD1 3.2Å; W532-W615 HydrophobicContact CE3-CD2 4.04Å; W532-W615 AromaticContact CE3-CE2 3.9Å; W532-W615 AromaticContact CE3-CG 3.61Å; W532-W615 HydrophobicContact CE3-CG 3.61Å; W532-W615 AromaticContact CE3-NE1 3.32Å; W532-W615 VanDerWaalsContact CE3-NE1 3.32Å; W532-W615 HydrophobicContact CH2-CB 4.19Å; W532-W615 HydrophobicContact CH2-CG 4.27Å; W532-W615 HydrophobicContact CZ3-CB 3.8Å; W532-W615 AromaticContact CZ3-CD1 3.19Å; W532-W615 HydrophobicContact CZ3-CD2 4.34Å; W532-W615 AromaticContact CZ3-CG 3.47Å; W532-W615 HydrophobicContact CZ3-CG 3.47Å; W532-W615 VanDerWaalsContact CZ3-CG 3.47Å; W532-W615 AromaticContact CZ3-NE1 3.85Å; P533-W615 HydrophobicContact CG-CE3 4.22Å; P533-W615 HydrophobicContact CG-CH2 4.08Å; P533-W615 HydrophobicContact CG-CZ3 3.6Å; C566-W615 HydrophobicContact CB-CH2 4.31Å; C566-W615 HydrophobicContact CB-CZ3 4.09Å; D613-W615 HydrophobicContact CB-CE3 4.07Å; D613-W615 HydrophobicContact CB-CZ3 4.39Å; D613-W615 PolarHBondContact O-N 2.75Å; D613-W615 VanDerWaalsContact O-N 3.14Å; D613-W615 WeakPolarHBondContact OD1-CA 3.01Å; D613-W615 PolarHBondContact OD1-N 3.11Å; W615-R617 VanDerWaalsContact C-N 3.27Å; W615-R617 HydrophobicContact CB-CG 4.33Å; W615-R617 PolarHBondContact O-N 3.12Å
616	G	96.6	Very high	97.5	Very high	46 Å²	46	42.4 Å²	42.4	47%	0.474	22%	0.22	S	C	.	.			trans	73.7	17.4	-179.8	0	0	0	0	0	113.3	D613 P618	D613-G616 PolarHBondContact O-N 2.96Å; D613-G616 PolarHBondContact OD1-N 2.7Å; G616-P618 WeakPolarHBondContact O-CD 3.28Å
617	R	96.9	Very high	97.4	Very high	46 Å²	46	41.9 Å²	41.9	17%	0.174	22%	0.216	C	C	.	.			trans	-84.3	120.5	176.6	-55.5	180	-60.4	167.2	8.7	108.6	P533 V535 P537 D613 W615	P533-R617 VanDerWaalsContact CG-NH2 3.28Å; P533-R617 PolarHBondContact O-NH1 2.81Å; P533-R617 PolarHBondContact O-NH2 2.93Å; V535-R617 PolarHBondContact O-NH1 3.29Å; V535-R617 PolarHBondContact O-NH2 3.47Å; P537-R617 VanDerWaalsContact CD-O 3.31Å; P537-R617 WeakPolarHBondContact CD-O 3.04Å; D613-R617 PolarHBondContact N-O 2.66Å; D613-R617 VanDerWaalsContact N-O 3.15Å; D613-R617 PolarHBondContact OD1-N 3.2Å; D613-R617 IonicContact OD1-NE 3.91Å; D613-R617 WeakPolarHBondContact OD2-CB 3.36Å; D613-R617 IonicContact OD2-CZ 3.2Å; D613-R617 IonicContact OD2-NE 2.77Å; D613-R617 PolarHBondContact OD2-NE 3.47Å; D613-R617 IonicContact OD2-NH2 3.15Å; D613-R617 PolarHBondContact OD2-NH2 2.49Å; W615-R617 VanDerWaalsContact C-N 3.27Å; W615-R617 HydrophobicContact CB-CG 4.33Å; W615-R617 PolarHBondContact O-N 3.12Å
618	P	97.4	Very high	97	Very high	66 Å²	66	45.8 Å²	45.8	43%	0.429	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-78.2	139.8	176.5	30.4	-32.6	0	0	0	110.9	V612 G616	V612-P618 HydrophobicContact CG2-CB 4.38Å; G616-P618 WeakPolarHBondContact O-CD 3.28Å
619	G	97	Very high	96	Very high	8 Å²	8	45.1 Å²	45.1	8%	0.082	24%	0.244	C	C	.	.			trans	-76.6	175.1	161.6	0	0	0	0	0	112.2	P537 A611	P537-G619 WeakPolarHBondContact O-CA 3.34Å; A611-G619 PolarHBondContact O-N 3.22Å
620	P	97.4	Very high	94.5	Very high	73 Å²	73	46.9 Å²	46.9	47%	0.474	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-60.4	145	170.7	-18.6	31.5	0	0	0	111.2	P537 Q539	P537-P620 VanDerWaalsContact O-CD 3.26Å; P537-P620 WeakPolarHBondContact O-CD 3.49Å; Q539-P620 HydrophobicContact CB-CB 4.1Å; Q539-P620 HydrophobicContact CB-CG 4.3Å; Q539-P620 HydrophobicContact CG-CB 4.11Å
621	Y	97.8	Very high	91.9	Very high	49 Å²	49	57.4 Å²	57.4	19%	0.192	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-65.5	147.4	167.8	-69	-81.3	0	0	0	110.6	Q539 E573 R608 V609 R610	Q539-Y621 PolarHBondContact NE2-O 3.43Å; E573-Y621 VanDerWaalsContact CD-CE1 3.49Å; E573-Y621 HydrophobicContact CG-CE1 4.02Å; E573-Y621 PolarHBondContact OE1-OH 3.41Å; E573-Y621 WeakPolarHBondContact OE2-CE1 3.21Å; E573-Y621 VanDerWaalsContact OE2-CZ 3.28Å; E573-Y621 PolarHBondContact OE2-OH 3.18Å; R608-Y621 HydrophobicContact CB-CD1 4.11Å; R608-Y621 HydrophobicContact CB-CG 4.48Å; R608-Y621 HydrophobicContact CG-CD1 3.54Å; R608-Y621 HydrophobicContact CG-CE1 3.97Å; R608-Y621 HydrophobicContact CG-CG 4.09Å; V609-Y621 CarbonylContact O-C 3.44Å; V609-Y621 WeakPolarHBondContact O-CA 3.45Å; R610-Y621 HydrophobicContact CB-CD1 3.79Å; R610-Y621 HydrophobicContact CB-CE1 4.18Å; R610-Y621 HydrophobicContact CB-CG 4.22Å; R610-Y621 HydrophobicContact CG-CD1 3.81Å; R610-Y621 HydrophobicContact CG-CE1 3.66Å; R610-Y621 PolarHBondContact NE-OH 3.23Å; R610-Y621 PolarHBondContact NH1-OH 3.29Å; R610-Y621 VanDerWaalsContact NH1-OH 3.1Å; R610-Y621 PolarHBondContact NH2-OH 3.44Å
622	S	97.8	Very high	91.5	Very high	5 Å²	5	60.3 Å²	60.3	4%	0.035	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-51.6	162.3	160.9	72.4	0	0	0	0	110.7	V540 V609	V540-S622 VanDerWaalsContact O-CA 3.29Å; V540-S622 WeakPolarHBondContact O-CA 3.15Å; V540-S622 VanDerWaalsContact O-CB 3.23Å; V540-S622 WeakPolarHBondContact O-CB 3.11Å; V609-S622 PolarHBondContact N-OG 3.15Å; V609-S622 VanDerWaalsContact N-OG 3.08Å; V609-S622 PolarHBondContact O-N 3.01Å
623	L	96.2	Very high	91.2	Very high	125 Å²	125	62.9 Å²	62.9	65%	0.654	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-55.1	131.9	163	-63.9	178.9	0	0	0	108.6	E625	L623-E625 PolarHBondContact O-N 2.65Å
624	P	95.9	Very high	90.8	Very high	64 Å²	64	66.3 Å²	66.3	42%	0.416	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-66.9	132.3	177	-21.2	32.7	0	0	0	110.6	Y607 R608	Y607-P624 CarbonylContact O-C 3.6Å; Y607-P624 WeakPolarHBondContact O-CA 3.47Å; R608-P624 HydrophobicContact CB-CB 4.42Å; R608-P624 HydrophobicContact CB-CG 4.43Å
625	E	97.1	Very high	90.4	Very high	84 Å²	84	69.6 Å²	69.6	39%	0.393	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.2	-179.4	-70.8	-62.9	158.1	0	0	110.8	L543 F545 L606 Y607 L623	L543-E625 HydrophobicContact CB-CB 4.49Å; L543-E625 HydrophobicContact CB-CG 4.04Å; L543-E625 HydrophobicContact CD2-CB 3.89Å; L543-E625 HydrophobicContact CD2-CG 4.16Å; L543-E625 HydrophobicContact CG-CB 4.02Å; L543-E625 HydrophobicContact CG-CG 4.14Å; F545-E625 HydrophobicContact CE2-CB 3.71Å; F545-E625 HydrophobicContact CZ-CB 3.84Å; L606-E625 WeakPolarHBondContact CA-O 3.27Å; Y607-E625 PolarHBondContact N-O 3.03Å; Y607-E625 PolarHBondContact O-N 3.49Å; L623-E625 PolarHBondContact O-N 2.65Å
626	R	95.9	Very high	90	Very high	120 Å²	120	71.1 Å²	71.1	45%	0.453	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	125.8	-177.6	-176.5	175.3	-68.3	-91	0.2	110.6	G605 L606	G605-R626 CarbonylContact O-C 3.54Å; G605-R626 WeakPolarHBondContact O-CA 3.46Å; L606-R626 HydrophobicContact CD2-CB 3.87Å
627	F	96.7	Very high	89.5	Confident	17 Å²	17	72.8 Å²	72.8	8%	0.075	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.5	162.4	-176	-107.2	0	0	0	109.7	F545 R547 V553 V603 G604 G605 Y607 D629	F545-F627 HydrophobicContact CB-CD2 3.58Å; F545-F627 HydrophobicContact CB-CE2 4.03Å; F545-F627 HydrophobicContact CD1-CB 4.24Å; F545-F627 HydrophobicContact CD1-CD2 4.36Å; F545-F627 HydrophobicContact CD2-CB 4.05Å; F545-F627 HydrophobicContact CD2-CD2 4.04Å; F545-F627 HydrophobicContact CE1-CB 4.3Å; F545-F627 HydrophobicContact CE2-CB 4.11Å; F545-F627 HydrophobicContact CG-CB 4.11Å; F545-F627 AromaticContact CG-CD2 3.73Å; F545-F627 HydrophobicContact CG-CD2 3.73Å; F545-F627 HydrophobicContact CG-CG 4.28Å; F545-F627 HydrophobicContact CZ-CB 4.25Å; R547-F627 HydrophobicContact CB-CE2 4.32Å; R547-F627 HydrophobicContact CB-CZ 4.11Å; R547-F627 HydrophobicContact CG-CZ 4.25Å; V553-F627 HydrophobicContact CB-CD1 4.35Å; V553-F627 HydrophobicContact CB-CE1 3.97Å; V553-F627 HydrophobicContact CB-CE2 4.33Å; V553-F627 HydrophobicContact CB-CZ 3.95Å; V553-F627 HydrophobicContact CG1-CD1 4.46Å; V553-F627 HydrophobicContact CG1-CE1 4.48Å; V553-F627 HydrophobicContact CG2-CD1 4.26Å; V553-F627 HydrophobicContact CG2-CD2 3.79Å; V553-F627 HydrophobicContact CG2-CE1 4.04Å; V553-F627 HydrophobicContact CG2-CE2 3.55Å; V553-F627 HydrophobicContact CG2-CG 4.13Å; V553-F627 HydrophobicContact CG2-CZ 3.68Å; V603-F627 HydrophobicContact CB-CD1 4.47Å; V603-F627 HydrophobicContact CB-CE1 4.46Å; V603-F627 HydrophobicContact CG2-CD1 4.17Å; V603-F627 HydrophobicContact CG2-CE1 3.77Å; V603-F627 WeakPolarHBondContact O-CD1 3.34Å; G604-F627 WeakPolarHBondContact CA-O 3.43Å; G605-F627 PolarHBondContact N-O 3.21Å; G605-F627 PolarHBondContact O-N 3.02Å; Y607-F627 HydrophobicContact CD2-CB 4.03Å; Y607-F627 HydrophobicContact CE2-CB 3.74Å; F627-D629 HydrophobicContact CD1-CB 4.49Å; F627-D629 HydrophobicContact CE1-CB 4.08Å
628	S	90.6	Very high	89	Confident	81 Å²	81	74.7 Å²	74.7	57%	0.566	41%	0.405	S	S	*	.			trans	-99.5	111.5	172	-62.2	0	0	0	0	108.3	R547 G630	R547-S628 PolarHBondContact NH2-O 3.37Å; S628-G630 PolarHBondContact O-N 3.19Å
629	D	77.1	Confident	88.4	Confident	44 Å²	44	75.4 Å²	75.4	24%	0.235	40%	0.403	C	S	.	.			trans	-71.8	30.8	176.6	-165.8	25.9	0	0	0	112.5	R547 V603 F627	R547-D629 VanDerWaalsContact NH1-C 3.31Å; R547-D629 PolarHBondContact NH1-O 3.06Å; R547-D629 IonicContact NH1-OD1 3.9Å; R547-D629 PolarHBondContact NH1-OD1 2.79Å; V603-D629 HydrophobicContact CG2-CB 3.96Å; V603-D629 VanDerWaalsContact CG2-CG 3.48Å; F627-D629 HydrophobicContact CD1-CB 4.49Å; F627-D629 HydrophobicContact CE1-CB 4.08Å
630	G	66.1	Low	87.6	Confident	38 Å²	38	81 Å²	81	39%	0.392	43%	0.43	S	S	.	.			trans	-26.3	138.5	-174.7	0	0	0	0	0	115.6	R547 S628	R547-G630 PolarHBondContact NH1-O 3.09Å; R547-G630 VanDerWaalsContact NH2-CA 3.34Å; R547-G630 PolarHBondContact NH2-O 3.12Å; S628-G630 PolarHBondContact O-N 3.19Å
631	E	43.2	Very low	86.7	Confident	272 Å²	272	81.7 Å²	81.7	100%	1.271	43%	0.426	S	S	*	.			trans	-51	0	-171	-68.6	-171.1	152.1	0	0	115.3

Retrieved 631 of 631 residues in 934.2 ms (Link to these results)

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