A0A3Q0KLZ4_SCHMA Loading...

Putative wd40 protein

AlphaFold DB , UniProt , Accession A0A3Q0KLZ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 422 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	48.1	Very low	82.8	Confident	227 Å²	227	72.4 Å²	72.4	100%	1.118	42%	0.42	S	S	*	.				0	123.6	0	-118.1	179.2	-131.9	0	0	105.5
2	T	61.7	Low	84	Confident	69 Å²	69	66.9 Å²	66.9	42%	0.423	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-63.4	128	168.3	46	0	0	0	0	107.7	N4 F389	T2-N4 PolarHBondContact O-N 3.41Å; T2-F389 WeakPolarHBondContact CA-O 3.45Å; T2-F389 HydrophobicContact CG2-CD1 3.45Å; T2-F389 VanDerWaalsContact CG2-CD1 3.45Å; T2-F389 HydrophobicContact CG2-CE1 3.88Å; T2-F389 HydrophobicContact CG2-CG 4.48Å
3	P	71.9	Confident	85	Confident	31 Å²	31	70.6 Å²	70.6	20%	0.201	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-59.9	135.3	169.7	9.3	-5.6	0	0	0	108.1	V388 F389	P3-V388 HydrophobicContact CG-CG1 3.21Å; P3-F389 WeakPolarHBondContact CD-O 3.37Å
4	N	83.8	Confident	85.9	Confident	141 Å²	141	70.9 Å²	70.9	75%	0.754	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-64.4	127.4	170.3	-72.7	-27.1	0	0	0	107.8	T2 L6	T2-N4 PolarHBondContact O-N 3.41Å; N4-L6 PolarHBondContact O-N 3.25Å
5	P	89.1	Confident	86.8	Confident	50 Å²	50	66.8 Å²	66.8	33%	0.325	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-60.6	141.1	175.6	25.1	-33.1	0	0	0	109.8	Q415 V416 L417	P5-Q415 HydrophobicContact CB-CB 4.4Å; P5-V416 CarbonylContact C-O 3.58Å; P5-V416 WeakPolarHBondContact CA-O 3.25Å; P5-L417 HydrophobicContact CB-CD2 3.95Å
6	L	90.8	Very high	87.5	Confident	105 Å²	105	62.6 Å²	62.6	55%	0.55	36%	0.364	S	S	.	.	S	Bend	trans	-63.6	-35.9	171.3	-61.6	-179.5	0	0	0	111	N4 D403 V416 N418	N4-L6 PolarHBondContact O-N 3.25Å; L6-D403 VanDerWaalsContact CD1-O 3.28Å; L6-D403 WeakPolarHBondContact CD1-O 3.29Å; L6-V416 HydrophobicContact CB-CB 4.48Å; L6-V416 HydrophobicContact CB-CG1 4.39Å; L6-V416 WeakPolarHBondContact CB-O 3.43Å; L6-V416 HydrophobicContact CD1-CG1 4.35Å; L6-V416 PolarHBondContact N-O 3.08Å; L6-N418 HydrophobicContact CD1-CB 4.05Å; L6-N418 HydrophobicContact CD2-CB 4.2Å; L6-N418 HydrophobicContact CG-CB 4.23Å
7	A	91.8	Very high	88.1	Confident	25 Å²	25	60.5 Å²	60.5	21%	0.207	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	158.7	176.4	0	0	0	0	0	110.4	V416	A7-V416 HydrophobicContact CB-CB 4.25Å; A7-V416 HydrophobicContact CB-CG2 4.21Å; A7-V416 PolarHBondContact O-N 2.99Å
8	S	92.9	Very high	88.7	Confident	46 Å²	46	57.5 Å²	57.5	32%	0.322	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	138	172.5	-57	0	0	0	0	109.1	I414	S8-I414 CarbonylContact C-O 3.46Å; S8-I414 VanDerWaalsContact CA-O 3.31Å; S8-I414 WeakPolarHBondContact CA-O 3.44Å
9	A	93.5	Very high	89.2	Confident	9 Å²	9	55.1 Å²	55.1	7%	0.074	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130	178.5	0	0	0	0	0	109.8	W38 S43 I414	A9-W38 HydrophobicContact CB-CD2 4.33Å; A9-W38 HydrophobicContact CB-CE3 3.63Å; A9-W38 HydrophobicContact CB-CH2 4.26Å; A9-W38 HydrophobicContact CB-CZ3 3.57Å; A9-S43 WeakPolarHBondContact CA-O 3.27Å; A9-S43 WeakPolarHBondContact CB-O 3.26Å; A9-I414 HydrophobicContact CB-CB 4.25Å; A9-I414 PolarHBondContact N-O 2.89Å; A9-I414 PolarHBondContact O-N 3.25Å
10	V	94	Very high	89.7	Confident	73 Å²	73	52.5 Å²	52.5	44%	0.442	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.2	-176.7	-174.9	0	0	0	0	109.1	Q44 V413	V10-Q44 PolarHBondContact N-O 2.93Å; V10-V413 HydrophobicContact CG2-CG1 4.35Å; V10-V413 HydrophobicContact CG2-CG2 4.22Å
11	G	93	Very high	90	Very high	20 Å²	20	52 Å²	52	21%	0.206	30%	0.302	C	S	.	.			trans	-176.5	-36	178.7	0	0	0	0	0	113.1	Y36	G11-Y36 VanDerWaalsContact O-CE2 3.32Å; G11-Y36 WeakPolarHBondContact O-CE2 3.34Å; G11-Y36 PolarHBondContact O-OH 3.04Å
12	H	97.3	Very high	92.1	Very high	7 Å²	7	42.3 Å²	42.3	3%	0.032	26%	0.257	C	S	.	.			trans	-67.7	158.1	169.8	-73.4	-77.5	0	0	0	111.3	V16 S28 G30 D32 N34 Y36 P412	H12-V16 HydrophobicContact CB-CG2 4.04Å; H12-V16 VanDerWaalsContact CD2-CG2 3.47Å; H12-V16 WeakPolarHBondContact CD2-CG2 3.27Å; H12-S28 PolarHBondContact NE2-OG 3.25Å; H12-G30 PolarHBondContact CE1-N 3.08Å; H12-D32 WeakPolarHBondContact CA-OD2 3.47Å; H12-D32 WeakPolarHBondContact CB-OD2 3.39Å; H12-D32 IonicContact CE1-OD1 3.73Å; H12-D32 IonicContact CG-OD2 3.71Å; H12-D32 VanDerWaalsContact ND1-CG 3.34Å; H12-D32 IonicContact ND1-OD1 3.98Å; H12-D32 PolarHBondContact ND1-OD1 2.96Å; H12-D32 IonicContact ND1-OD2 2.91Å; H12-D32 PolarHBondContact ND1-OD2 2.95Å; H12-D32 VanDerWaalsContact ND1-OD2 3.1Å; H12-N34 PolarHBondContact CE1-O 3.29Å; H12-Y36 AromaticContact CD2-CD2 3.73Å; H12-Y36 AromaticContact CE1-CD2 3.59Å; H12-Y36 AromaticContact CE1-CE2 3.99Å; H12-Y36 AromaticContact CG-CD2 3.93Å; H12-Y36 AromaticContact CG-CE2 3.93Å; H12-Y36 AromaticContact ND1-CD2 3.84Å; H12-Y36 AromaticContact ND1-CE2 3.79Å; H12-Y36 AromaticContact NE2-CD2 3.49Å; H12-Y36 WeakPolarHBondContact NE2-CD2 3.45Å; H12-P412 HydrophobicContact CB-CB 4.28Å; H12-P412 VanDerWaalsContact O-CB 3.29Å; H12-P412 WeakPolarHBondContact O-CB 3.33Å
13	T	97.3	Very high	93.3	Very high	115 Å²	115	45.9 Å²	45.9	71%	0.706	27%	0.273	S	S	*	.	S	Bend	trans	-113.9	0.2	173.5	58.4	0	0	0	0	113.2	D32	T13-D32 PolarHBondContact N-OD2 3.24Å; T13-D32 WeakPolarHBondContact OG1-CB 3.44Å
14	D	98	Very high	94	Very high	74 Å²	74	50.1 Å²	50.1	40%	0.396	29%	0.294	S	S	.	.	S	Bend	trans	-147.9	-179.9	179.6	-145.8	-21.1	0	0	0	109.8	V16 E31 D32 P412	D14-V16 PolarHBondContact O-N 3.37Å; D14-E31 HydrophobicContact CB-CB 4.12Å; D14-D32 HydrophobicContact CB-CB 3.85Å; D14-P412 VanDerWaalsContact O-CA 3.3Å; D14-P412 WeakPolarHBondContact O-CA 3.36Å
15	S	98.3	Very high	94.5	Very high	10 Å²	10	45.1 Å²	45.1	7%	0.07	27%	0.267	C	S	.	.			trans	-45.3	134.2	-179.4	-50	0	0	0	0	112.8	G30 E31	S15-G30 CarbonylContact O-C 3.56Å; S15-G30 WeakPolarHBondContact O-CA 3.38Å; S15-E31 VanDerWaalsContact CB-OE2 3.24Å; S15-E31 WeakPolarHBondContact CB-OE2 3.48Å; S15-E31 PolarHBondContact O-N 3.11Å; S15-E31 PolarHBondContact OG-OE2 2.81Å
16	V	98.6	Very high	94.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	115	171.3	-172.6	0	0	0	0	107.6	H12 D14 L19 G29 S395 A408 D409 S411 I414	H12-V16 HydrophobicContact CB-CG2 4.04Å; H12-V16 VanDerWaalsContact CD2-CG2 3.47Å; H12-V16 WeakPolarHBondContact CD2-CG2 3.27Å; D14-V16 PolarHBondContact O-N 3.37Å; V16-L19 HydrophobicContact CG1-CD2 4.24Å; V16-G29 WeakPolarHBondContact CG1-O 3.48Å; V16-S395 WeakPolarHBondContact O-CB 3.46Å; V16-S395 PolarHBondContact O-OG 2.9Å; V16-A408 HydrophobicContact CB-CB 3.82Å; V16-A408 HydrophobicContact CG1-CB 3.62Å; V16-D409 PolarHBondContact N-O 2.74Å; V16-D409 VanDerWaalsContact N-O 3.16Å; V16-S411 PolarHBondContact N-O 2.88Å; V16-I414 HydrophobicContact CB-CG1 4.5Å; V16-I414 HydrophobicContact CG1-CD1 4.28Å; V16-I414 HydrophobicContact CG1-CG1 4.06Å; V16-I414 HydrophobicContact CG2-CG1 4.11Å
17	T	98.4	Very high	95.1	Very high	26 Å²	26	38.1 Å²	38.1	16%	0.16	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-25.9	-167.2	46.4	0	0	0	0	112.6	G29 E31 H55 C56	T17-G29 PolarHBondContact N-O 3.21Å; T17-G29 PolarHBondContact OG1-O 3.18Å; T17-E31 HydrophobicContact CG2-CG 3.56Å; T17-H55 WeakPolarHBondContact CG2-NE2 2.94Å; T17-C56 PolarHBondContact OG1-O 2.68Å
18	A	98.4	Very high	95.5	Very high	7 Å²	7	36.9 Å²	36.9	6%	0.058	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	148.9	-176	0	0	0	0	0	112.6	S28 G29 L59	A18-S28 VanDerWaalsContact O-CA 3.31Å; A18-S28 WeakPolarHBondContact O-CA 3.29Å; A18-G29 PolarHBondContact N-O 3.19Å; A18-G29 PolarHBondContact O-N 3.15Å; A18-L59 HydrophobicContact CB-CD2 3.36Å; A18-L59 HydrophobicContact CB-CG 4.14Å
19	L	98.6	Very high	95.7	Very high	12 Å²	12	34.7 Å²	34.7	6%	0.063	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149	176	-65.6	176.9	0	0	0	109.7	V16 L26 A27 A396 E398 I406 A408 I414	V16-L19 HydrophobicContact CG1-CD2 4.24Å; L19-L26 HydrophobicContact CB-CD1 4.3Å; L19-L26 HydrophobicContact CD2-CD1 4.17Å; L19-L26 HydrophobicContact CD2-CD2 4.2Å; L19-L26 HydrophobicContact CD2-CG 4.36Å; L19-A27 WeakPolarHBondContact CA-O 3.4Å; L19-A396 HydrophobicContact CB-CB 4.29Å; L19-A396 HydrophobicContact CD1-CB 4.4Å; L19-A396 HydrophobicContact CG-CB 4.19Å; L19-E398 HydrophobicContact CB-CB 4.29Å; L19-E398 HydrophobicContact CB-CG 3.64Å; L19-I406 HydrophobicContact CD1-CG2 3.81Å; L19-A408 HydrophobicContact CD1-CB 3.62Å; L19-A408 HydrophobicContact CD2-CB 4.07Å; L19-A408 HydrophobicContact CG-CB 3.65Å; L19-I414 HydrophobicContact CD2-CD1 3.93Å; L19-I414 HydrophobicContact CD2-CG1 4.35Å
20	S	98	Very high	95.9	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.014	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	131.5	164.8	-173.2	0	0	0	0	111.1	A27 K60 F61 E398	S20-A27 PolarHBondContact N-O 2.81Å; S20-A27 PolarHBondContact O-N 3.45Å; S20-K60 WeakPolarHBondContact OG-CA 3.33Å; S20-F61 WeakPolarHBondContact O-CE2 3.31Å; S20-F61 PolarHBondContact OG-N 3.44Å; S20-E398 WeakPolarHBondContact CA-OE1 3.32Å
21	L	96	Very high	96.2	Very high	43 Å²	43	34.3 Å²	34.3	23%	0.225	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	140.4	177.9	-163.3	63.3	0	0	0	112.1	L26 L40 E398 I406	L21-L26 HydrophobicContact CD1-CB 4.32Å; L21-L26 HydrophobicContact CD1-CD1 4.18Å; L21-L40 HydrophobicContact CD1-CD1 3.86Å; L21-L40 HydrophobicContact CD1-CD2 3.86Å; L21-L40 HydrophobicContact CD1-CG 4.38Å; L21-E398 HydrophobicContact CB-CB 4.12Å; L21-E398 HydrophobicContact CB-CG 4.1Å; L21-E398 WeakPolarHBondContact CB-OE2 3.35Å; L21-E398 PolarHBondContact N-OE1 3.04Å; L21-I406 HydrophobicContact CD1-CD1 4.04Å
22	S	92.7	Very high	96.4	Very high	24 Å²	24	33.7 Å²	33.7	17%	0.168	19%	0.186	C	C	.	.			trans	-120.8	179.2	163.4	68.9	0	0	0	0	109.4	N24 L25	S22-N24 PolarHBondContact O-N 3.17Å; S22-L25 PolarHBondContact N-O 2.99Å; S22-L25 WeakPolarHBondContact OG-CB 3.49Å; S22-L25 PolarHBondContact OG-N 2.73Å; S22-L25 VanDerWaalsContact OG-N 3.16Å; S22-L25 PolarHBondContact OG-O 2.94Å
23	D	86.6	Confident	96.3	Very high	143 Å²	143	33.4 Å²	33.4	77%	0.765	19%	0.185	S	C	*	.	S	Bend	trans	-51	-35.3	-178.3	-62.4	-20.3	0	0	0	114.5
24	N	87	Confident	96.3	Very high	120 Å²	120	29.1 Å²	29.1	64%	0.642	16%	0.158	S	C	*	.	S	Bend	trans	-131.9	-8.9	-173.1	-63.4	-52.3	0	0	0	114.6	S22	S22-N24 PolarHBondContact O-N 3.17Å
25	L	93.8	Very high	96.3	Very high	37 Å²	37	25.6 Å²	25.6	19%	0.194	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.4	-172.9	-64.4	169	0	0	0	110.2	S22 L37 W38 V47 F61 I82	S22-L25 PolarHBondContact N-O 2.99Å; S22-L25 WeakPolarHBondContact OG-CB 3.49Å; S22-L25 PolarHBondContact OG-N 2.73Å; S22-L25 VanDerWaalsContact OG-N 3.16Å; S22-L25 PolarHBondContact OG-O 2.94Å; L25-L37 HydrophobicContact CD1-CD1 4.34Å; L25-W38 WeakPolarHBondContact CA-O 3.06Å; L25-W38 WeakPolarHBondContact CD2-O 3.01Å; L25-V47 HydrophobicContact CD2-CG2 4.22Å; L25-F61 HydrophobicContact CB-CZ 4.23Å; L25-I82 HydrophobicContact CD1-CD1 3.63Å
26	L	96.2	Very high	96.3	Very high	7 Å²	7	26.7 Å²	26.7	4%	0.037	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	138.4	161.8	178.7	73.2	0	0	0	107.9	L19 L21 L37 W38 L40 E398 I406 I414	L19-L26 HydrophobicContact CB-CD1 4.3Å; L19-L26 HydrophobicContact CD2-CD1 4.17Å; L19-L26 HydrophobicContact CD2-CD2 4.2Å; L19-L26 HydrophobicContact CD2-CG 4.36Å; L21-L26 HydrophobicContact CD1-CB 4.32Å; L21-L26 HydrophobicContact CD1-CD1 4.18Å; L26-L37 CarbonylContact O-C 3.56Å; L26-L37 WeakPolarHBondContact O-CA 3.32Å; L26-W38 HydrophobicContact CB-CB 4.22Å; L26-W38 HydrophobicContact CD2-CG 4.3Å; L26-W38 PolarHBondContact N-O 3.31Å; L26-W38 PolarHBondContact O-N 2.81Å; L26-L40 HydrophobicContact CB-CD2 4.02Å; L26-E398 HydrophobicContact CD1-CB 4.26Å; L26-E398 HydrophobicContact CD1-CG 4.46Å; L26-I406 HydrophobicContact CD1-CD1 3.91Å; L26-I406 HydrophobicContact CD1-CG2 4.17Å; L26-I406 HydrophobicContact CD2-CD1 4.23Å; L26-I406 HydrophobicContact CD2-CG2 3.65Å; L26-I406 HydrophobicContact CG-CD1 4.49Å; L26-I414 HydrophobicContact CD2-CD1 4.21Å; L26-I414 HydrophobicContact CD2-CG2 4.09Å
27	A	97.8	Very high	96.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	144.7	164.4	0	0	0	0	0	109.1	L19 S20 Y36 L37 L59 F61 L69	L19-A27 WeakPolarHBondContact CA-O 3.4Å; S20-A27 PolarHBondContact N-O 2.81Å; S20-A27 PolarHBondContact O-N 3.45Å; A27-Y36 CarbonylContact C-O 3.56Å; A27-Y36 VanDerWaalsContact CA-O 3.31Å; A27-Y36 WeakPolarHBondContact CA-O 3.34Å; A27-L37 HydrophobicContact CB-CD2 3.4Å; A27-L59 HydrophobicContact CB-CD1 3.3Å; A27-F61 HydrophobicContact CB-CD2 4.3Å; A27-F61 HydrophobicContact CB-CE2 3.47Å; A27-F61 VanDerWaalsContact CB-CE2 3.47Å; A27-F61 HydrophobicContact CB-CZ 3.82Å; A27-L69 HydrophobicContact CB-CD1 3.78Å; A27-L69 HydrophobicContact CB-CD2 3.77Å; A27-L69 HydrophobicContact CB-CG 4.45Å
28	S	98.4	Very high	96	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.1	171.5	67.4	0	0	0	0	111.5	H12 A18 T35 Y36 W38 I414	H12-S28 PolarHBondContact NE2-OG 3.25Å; A18-S28 VanDerWaalsContact O-CA 3.31Å; A18-S28 WeakPolarHBondContact O-CA 3.29Å; S28-T35 CarbonylContact O-C 3.48Å; S28-T35 VanDerWaalsContact O-CA 3.23Å; S28-T35 WeakPolarHBondContact O-CA 3.33Å; S28-Y36 PolarHBondContact N-O 3.47Å; S28-Y36 PolarHBondContact O-N 3.24Å; S28-W38 WeakPolarHBondContact OG-CZ2 3.35Å; S28-W38 PolarHBondContact OG-NE1 2.77Å; S28-I414 VanDerWaalsContact CB-CD1 3.5Å
29	G	98.5	Very high	95.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	153	170.6	0	0	0	0	0	109.4	V16 T17 A18 L59	V16-G29 WeakPolarHBondContact CG1-O 3.48Å; T17-G29 PolarHBondContact N-O 3.21Å; T17-G29 PolarHBondContact OG1-O 3.18Å; A18-G29 PolarHBondContact N-O 3.19Å; A18-G29 PolarHBondContact O-N 3.15Å; G29-L59 VanDerWaalsContact N-CD2 3.26Å
30	G	98.1	Very high	95.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	171.7	179	0	0	0	0	0	113.6	H12 S15 D32 G33 N34 C56	H12-G30 PolarHBondContact CE1-N 3.08Å; S15-G30 CarbonylContact O-C 3.56Å; S15-G30 WeakPolarHBondContact O-CA 3.38Å; G30-D32 PolarHBondContact O-N 3.42Å; G30-G33 PolarHBondContact O-N 3.09Å; G30-G33 VanDerWaalsContact O-N 3.09Å; G30-N34 PolarHBondContact N-O 2.99Å; G30-C56 PolarHBondContact O-N 3.02Å; G30-C56 VanDerWaalsContact O-N 3.16Å
31	E	98.4	Very high	94.4	Very high	74 Å²	74	34.3 Å²	34.3	35%	0.346	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.8	175.4	-63.5	-178	157.2	0	0	111.8	D14 S15 T17 G33	D14-E31 HydrophobicContact CB-CB 4.12Å; S15-E31 VanDerWaalsContact CB-OE2 3.24Å; S15-E31 WeakPolarHBondContact CB-OE2 3.48Å; S15-E31 PolarHBondContact O-N 3.11Å; S15-E31 PolarHBondContact OG-OE2 2.81Å; T17-E31 HydrophobicContact CG2-CG 3.56Å; E31-G33 PolarHBondContact O-N 2.84Å
32	D	97.6	Very high	93.2	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.037	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-6.4	171.8	70.6	-3.2	0	0	0	113.7	H12 T13 D14 G30 N34 R52	H12-D32 WeakPolarHBondContact CA-OD2 3.47Å; H12-D32 WeakPolarHBondContact CB-OD2 3.39Å; H12-D32 IonicContact CE1-OD1 3.73Å; H12-D32 IonicContact CG-OD2 3.71Å; H12-D32 VanDerWaalsContact ND1-CG 3.34Å; H12-D32 IonicContact ND1-OD1 3.98Å; H12-D32 PolarHBondContact ND1-OD1 2.96Å; H12-D32 IonicContact ND1-OD2 2.91Å; H12-D32 PolarHBondContact ND1-OD2 2.95Å; H12-D32 VanDerWaalsContact ND1-OD2 3.1Å; T13-D32 PolarHBondContact N-OD2 3.24Å; T13-D32 WeakPolarHBondContact OG1-CB 3.44Å; D14-D32 HydrophobicContact CB-CB 3.85Å; G30-D32 PolarHBondContact O-N 3.42Å; D32-N34 VanDerWaalsContact C-N 3.26Å; D32-N34 PolarHBondContact O-N 3.05Å; D32-N34 WeakPolarHBondContact OD1-CB 3.2Å; D32-N34 PolarHBondContact OD1-N 2.98Å; D32-N34 PolarHBondContact OD1-ND2 2.9Å; D32-N34 PolarHBondContact OD2-ND2 3.28Å; D32-R52 PolarHBondContact O-NE 2.94Å; D32-R52 PolarHBondContact O-NH2 2.8Å
33	G	96.2	Very high	92	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.01	21%	0.207	C	C	.	.	S	Bend	trans	74.7	11	179.1	0	0	0	0	0	114.8	G30 E31 L53 D54	G30-G33 PolarHBondContact O-N 3.09Å; G30-G33 VanDerWaalsContact O-N 3.09Å; E31-G33 PolarHBondContact O-N 2.84Å; G33-L53 PolarHBondContact O-N 2.81Å; G33-L53 VanDerWaalsContact O-N 3.17Å; G33-D54 WeakPolarHBondContact CA-O 3.45Å
34	N	97.1	Very high	91.8	Very high	25 Å²	25	38.8 Å²	38.8	13%	0.134	20%	0.199	C	C	.	.			trans	-88	151.5	174.2	-65.1	-60.2	0	0	0	110.9	H12 G30 D32 Y36	H12-N34 PolarHBondContact CE1-O 3.29Å; G30-N34 PolarHBondContact N-O 2.99Å; D32-N34 VanDerWaalsContact C-N 3.26Å; D32-N34 PolarHBondContact O-N 3.05Å; D32-N34 WeakPolarHBondContact OD1-CB 3.2Å; D32-N34 PolarHBondContact OD1-N 2.98Å; D32-N34 PolarHBondContact OD1-ND2 2.9Å; D32-N34 PolarHBondContact OD2-ND2 3.28Å; N34-Y36 HydrophobicContact CB-CD2 4.17Å; N34-Y36 HydrophobicContact CB-CE2 3.61Å
35	T	98	Very high	91.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	115.3	166.6	-62.9	0	0	0	0	108.9	S28 C49 A50 L69 Y73	S28-T35 CarbonylContact O-C 3.48Å; S28-T35 VanDerWaalsContact O-CA 3.23Å; S28-T35 WeakPolarHBondContact O-CA 3.33Å; T35-C49 WeakPolarHBondContact O-CA 3.45Å; T35-A50 PolarHBondContact O-N 2.64Å; T35-L69 HydrophobicContact CG2-CD2 3.87Å; T35-Y73 WeakPolarHBondContact CB-OH 3.26Å; T35-Y73 PolarHBondContact OG1-OH 3.04Å
36	Y	97.2	Very high	91.6	Very high	33 Å²	33	39.8 Å²	39.8	13%	0.129	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	147.2	-175	-71.3	-60.3	0	0	0	111.2	G11 H12 A27 S28 N34 W38 P46 L48 C49	G11-Y36 VanDerWaalsContact O-CE2 3.32Å; G11-Y36 WeakPolarHBondContact O-CE2 3.34Å; G11-Y36 PolarHBondContact O-OH 3.04Å; H12-Y36 AromaticContact CD2-CD2 3.73Å; H12-Y36 AromaticContact CE1-CD2 3.59Å; H12-Y36 AromaticContact CE1-CE2 3.99Å; H12-Y36 AromaticContact CG-CD2 3.93Å; H12-Y36 AromaticContact CG-CE2 3.93Å; H12-Y36 AromaticContact ND1-CD2 3.84Å; H12-Y36 AromaticContact ND1-CE2 3.79Å; H12-Y36 AromaticContact NE2-CD2 3.49Å; H12-Y36 WeakPolarHBondContact NE2-CD2 3.45Å; A27-Y36 CarbonylContact C-O 3.56Å; A27-Y36 VanDerWaalsContact CA-O 3.31Å; A27-Y36 WeakPolarHBondContact CA-O 3.34Å; S28-Y36 PolarHBondContact N-O 3.47Å; S28-Y36 PolarHBondContact O-N 3.24Å; N34-Y36 HydrophobicContact CB-CD2 4.17Å; N34-Y36 HydrophobicContact CB-CE2 3.61Å; Y36-W38 HydrophobicContact CD2-CH2 4.37Å; Y36-W38 AromaticContact CD2-CZ2 3.87Å; Y36-W38 HydrophobicContact CD2-CZ2 3.87Å; Y36-W38 AromaticContact CG-CZ2 3.99Å; Y36-W38 HydrophobicContact CG-CZ2 3.99Å; Y36-P46 HydrophobicContact CD1-CB 3.41Å; Y36-P46 VanDerWaalsContact CD1-CB 3.41Å; Y36-P46 HydrophobicContact CD1-CG 3.33Å; Y36-P46 HydrophobicContact CD2-CG 4.16Å; Y36-P46 HydrophobicContact CE1-CB 4.12Å; Y36-P46 HydrophobicContact CE1-CG 3.72Å; Y36-P46 HydrophobicContact CG-CB 3.87Å; Y36-P46 HydrophobicContact CG-CG 3.57Å; Y36-L48 WeakPolarHBondContact CA-O 3.34Å; Y36-C49 HydrophobicContact CD1-CB 3.6Å; Y36-C49 VanDerWaalsContact CD1-SG 3.6Å; Y36-C49 HydrophobicContact CE1-CB 3.57Å; Y36-C49 WeakPolarHBondContact CE1-SG 3.21Å
37	L	96.3	Very high	91.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	140	162.8	-58.3	-171.7	0	0	0	110.1	L25 L26 A27 P46 V47 L48 F61 L69 I82	L25-L37 HydrophobicContact CD1-CD1 4.34Å; L26-L37 CarbonylContact O-C 3.56Å; L26-L37 WeakPolarHBondContact O-CA 3.32Å; A27-L37 HydrophobicContact CB-CD2 3.4Å; L37-P46 CarbonylContact O-C 3.58Å; L37-P46 WeakPolarHBondContact O-CA 3.46Å; L37-V47 HydrophobicContact CB-CG2 4.24Å; L37-V47 VanDerWaalsContact O-CG2 3.29Å; L37-V47 WeakPolarHBondContact O-CG2 3.38Å; L37-V47 PolarHBondContact O-N 2.77Å; L37-L48 HydrophobicContact CB-CB 4.16Å; L37-L48 HydrophobicContact CD1-CB 4.44Å; L37-L48 HydrophobicContact CD1-CD1 4.08Å; L37-L48 HydrophobicContact CG-CB 4.43Å; L37-L48 PolarHBondContact N-O 2.78Å; L37-L48 PolarHBondContact O-N 3.11Å; L37-F61 HydrophobicContact CD2-CZ 3.9Å; L37-L69 HydrophobicContact CD2-CD2 4.05Å; L37-I82 HydrophobicContact CD1-CB 3.56Å; L37-I82 HydrophobicContact CD1-CG2 3.52Å
38	W	95.4	Very high	91.2	Very high	5 Å²	5	45.9 Å²	45.9	2%	0.019	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.5	-177.1	-40.2	82	0	0	0	108.8	A9 L25 L26 S28 Y36 P46 I414	A9-W38 HydrophobicContact CB-CD2 4.33Å; A9-W38 HydrophobicContact CB-CE3 3.63Å; A9-W38 HydrophobicContact CB-CH2 4.26Å; A9-W38 HydrophobicContact CB-CZ3 3.57Å; L25-W38 WeakPolarHBondContact CA-O 3.06Å; L25-W38 WeakPolarHBondContact CD2-O 3.01Å; L26-W38 HydrophobicContact CB-CB 4.22Å; L26-W38 HydrophobicContact CD2-CG 4.3Å; L26-W38 PolarHBondContact N-O 3.31Å; L26-W38 PolarHBondContact O-N 2.81Å; S28-W38 WeakPolarHBondContact OG-CZ2 3.35Å; S28-W38 PolarHBondContact OG-NE1 2.77Å; Y36-W38 HydrophobicContact CD2-CH2 4.37Å; Y36-W38 AromaticContact CD2-CZ2 3.87Å; Y36-W38 HydrophobicContact CD2-CZ2 3.87Å; Y36-W38 AromaticContact CG-CZ2 3.99Å; Y36-W38 HydrophobicContact CG-CZ2 3.99Å; W38-P46 HydrophobicContact CD2-CG 4.44Å; W38-P46 HydrophobicContact CE3-CB 4.26Å; W38-P46 HydrophobicContact CE3-CG 3.92Å; W38-P46 HydrophobicContact CH2-CG 3.55Å; W38-P46 HydrophobicContact CZ2-CG 4.05Å; W38-P46 HydrophobicContact CZ3-CB 4.29Å; W38-P46 HydrophobicContact CZ3-CG 3.47Å; W38-P46 VanDerWaalsContact CZ3-CG 3.47Å; W38-I414 HydrophobicContact CD2-CD1 4.4Å; W38-I414 HydrophobicContact CH2-CD1 4.47Å; W38-I414 HydrophobicContact CZ2-CD1 3.66Å
39	S	91.9	Very high	91	Very high	21 Å²	21	48.3 Å²	48.3	15%	0.147	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130.3	167.5	173.7	0	0	0	0	108.7	D41 Q42	S39-D41 PolarHBondContact O-N 2.95Å; S39-D41 VanDerWaalsContact O-N 3.17Å; S39-D41 PolarHBondContact OG-N 3.08Å; S39-Q42 CarbonylContact O-C 3.55Å; S39-Q42 PolarHBondContact O-N 3.44Å; S39-Q42 VanDerWaalsContact O-N 3.14Å; S39-Q42 PolarHBondContact OG-N 3.13Å
40	L	85.7	Confident	90.8	Very high	38 Å²	38	48.5 Å²	48.5	20%	0.199	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.7	175.7	-60.5	175.2	0	0	0	111.9	L21 L26 R404 I406	L21-L40 HydrophobicContact CD1-CD1 3.86Å; L21-L40 HydrophobicContact CD1-CD2 3.86Å; L21-L40 HydrophobicContact CD1-CG 4.38Å; L26-L40 HydrophobicContact CB-CD2 4.02Å; L40-R404 PolarHBondContact O-NH2 2.87Å; L40-I406 HydrophobicContact CD2-CD1 3.88Å
41	D	83.1	Confident	90.6	Very high	143 Å²	143	51 Å²	51	77%	0.765	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-18.5	178	-60.7	-30.7	0	0	0	113.3	S39	S39-D41 PolarHBondContact O-N 2.95Å; S39-D41 VanDerWaalsContact O-N 3.17Å; S39-D41 PolarHBondContact OG-N 3.08Å
42	Q	71.5	Confident	90.5	Very high	135 Å²	135	55.2 Å²	55.2	63%	0.631	28%	0.281	S	S	*	.	B	Isolated β-bridge	trans	-124.4	80.9	-177.4	-55	177.9	23.3	0	0	109.2	S39 Q44	S39-Q42 CarbonylContact O-C 3.55Å; S39-Q42 PolarHBondContact O-N 3.44Å; S39-Q42 VanDerWaalsContact O-N 3.14Å; S39-Q42 PolarHBondContact OG-N 3.13Å; Q42-Q44 PolarHBondContact O-N 2.93Å
43	S	67.6	Low	90.4	Very high	41 Å²	41	57.6 Å²	57.6	29%	0.287	29%	0.294	S	S	.	.			trans	-90.3	3.1	-157.2	58.2	0	0	0	0	116.8	A9	A9-S43 WeakPolarHBondContact CA-O 3.27Å; A9-S43 WeakPolarHBondContact CB-O 3.26Å
44	Q	83.2	Confident	90.3	Very high	128 Å²	128	62.7 Å²	62.7	60%	0.598	32%	0.321	S	S	*	.	S	Bend	trans	-93.8	-30.6	-172.8	-67.5	-174.4	13.3	0	0	114.3	V10 Q42	V10-Q44 PolarHBondContact N-O 2.93Å; Q42-Q44 PolarHBondContact O-N 2.93Å
45	F	88.4	Confident	90.3	Very high	140 Å²	140	64.6 Å²	64.6	61%	0.614	33%	0.329	S	S	*	.	S	Bend	trans	-139.5	154.6	-175.4	-58.1	-72.4	0	0	0	111.3
46	P	87.7	Confident	90.3	Very high	37 Å²	37	64.6 Å²	64.6	24%	0.24	33%	0.329	C	S	.	.			trans	-60	142.7	173.6	-20	30.8	0	0	0	111.9	Y36 L37 W38	Y36-P46 HydrophobicContact CD1-CB 3.41Å; Y36-P46 VanDerWaalsContact CD1-CB 3.41Å; Y36-P46 HydrophobicContact CD1-CG 3.33Å; Y36-P46 HydrophobicContact CD2-CG 4.16Å; Y36-P46 HydrophobicContact CE1-CB 4.12Å; Y36-P46 HydrophobicContact CE1-CG 3.72Å; Y36-P46 HydrophobicContact CG-CB 3.87Å; Y36-P46 HydrophobicContact CG-CG 3.57Å; L37-P46 CarbonylContact O-C 3.58Å; L37-P46 WeakPolarHBondContact O-CA 3.46Å; W38-P46 HydrophobicContact CD2-CG 4.44Å; W38-P46 HydrophobicContact CE3-CB 4.26Å; W38-P46 HydrophobicContact CE3-CG 3.92Å; W38-P46 HydrophobicContact CH2-CG 3.55Å; W38-P46 HydrophobicContact CZ2-CG 4.05Å; W38-P46 HydrophobicContact CZ3-CB 4.29Å; W38-P46 HydrophobicContact CZ3-CG 3.47Å; W38-P46 VanDerWaalsContact CZ3-CG 3.47Å
47	V	92.5	Very high	90.4	Very high	63 Å²	63	64.2 Å²	64.2	38%	0.382	33%	0.331	S	S	.	.	S	Bend	trans	-87.6	-27	170.1	-65.3	0	0	0	0	112.3	L25 L37	L25-V47 HydrophobicContact CD2-CG2 4.22Å; L37-V47 HydrophobicContact CB-CG2 4.24Å; L37-V47 VanDerWaalsContact O-CG2 3.29Å; L37-V47 WeakPolarHBondContact O-CG2 3.38Å; L37-V47 PolarHBondContact O-N 2.77Å
48	L	93	Very high	90.5	Very high	72 Å²	72	64.8 Å²	64.8	38%	0.377	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153.4	177	-65.4	169.3	0	0	0	110.2	Y36 L37 I82 M85	Y36-L48 WeakPolarHBondContact CA-O 3.34Å; L37-L48 HydrophobicContact CB-CB 4.16Å; L37-L48 HydrophobicContact CD1-CB 4.44Å; L37-L48 HydrophobicContact CD1-CD1 4.08Å; L37-L48 HydrophobicContact CG-CB 4.43Å; L37-L48 PolarHBondContact N-O 2.78Å; L37-L48 PolarHBondContact O-N 3.11Å; L48-I82 WeakPolarHBondContact CD1-O 3.17Å; L48-M85 HydrophobicContact CB-CG 4.46Å; L48-M85 HydrophobicContact CD1-CG 4.38Å
49	C	94.4	Very high	90.7	Very high	52 Å²	52	64.8 Å²	64.8	35%	0.351	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	133.7	173.6	-173.9	0	0	0	0	109.1	T35 Y36	T35-C49 WeakPolarHBondContact O-CA 3.45Å; Y36-C49 HydrophobicContact CD1-CB 3.6Å; Y36-C49 VanDerWaalsContact CD1-SG 3.6Å; Y36-C49 HydrophobicContact CE1-CB 3.57Å; Y36-C49 WeakPolarHBondContact CE1-SG 3.21Å
50	A	94.7	Very high	91	Very high	4 Å²	4	66.4 Å²	66.4	3%	0.033	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-71.9	159.2	168.2	0	0	0	0	0	111	T35 R52 W80 M85	T35-A50 PolarHBondContact O-N 2.64Å; A50-R52 PolarHBondContact O-N 2.94Å; A50-W80 HydrophobicContact CB-CD2 4.2Å; A50-W80 HydrophobicContact CB-CE3 4.22Å; A50-W80 HydrophobicContact CB-CH2 3.81Å; A50-W80 HydrophobicContact CB-CZ2 3.74Å; A50-W80 HydrophobicContact CB-CZ3 4.04Å; A50-M85 HydrophobicContact CB-CE 3.67Å
51	P	93.9	Very high	91.5	Very high	53 Å²	53	65.3 Å²	65.3	34%	0.344	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-54.6	133.2	164.7	-20.3	33.8	0	0	0	109.5	L53 W80 M85 T86	P51-L53 PolarHBondContact O-N 2.87Å; P51-W80 HydrophobicContact CG-CH2 4.36Å; P51-W80 HydrophobicContact CG-CZ3 4.28Å; P51-M85 VanDerWaalsContact CD-O 3.31Å; P51-M85 WeakPolarHBondContact CD-O 3.47Å; P51-T86 WeakPolarHBondContact CG-O 3.42Å
52	R	95.1	Very high	92.1	Very high	162 Å²	162	58.6 Å²	58.6	61%	0.611	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-58.9	132.3	177.5	-171.9	-175.2	-175.8	-82.3	-4	110.3	D32 A50	D32-R52 PolarHBondContact O-NE 2.94Å; D32-R52 PolarHBondContact O-NH2 2.8Å; A50-R52 PolarHBondContact O-N 2.94Å
53	L	95.8	Very high	93	Very high	57 Å²	57	56.4 Å²	56.4	30%	0.298	30%	0.303	S	S	.	.			trans	-120.2	-138.9	174.2	-64.2	177.8	0	0	0	108.9	G33 P51 Y73 V78 W80	G33-L53 PolarHBondContact O-N 2.81Å; G33-L53 VanDerWaalsContact O-N 3.17Å; P51-L53 PolarHBondContact O-N 2.87Å; L53-Y73 HydrophobicContact CB-CD1 3.93Å; L53-Y73 HydrophobicContact CB-CD2 4.47Å; L53-Y73 HydrophobicContact CB-CE1 4.12Å; L53-Y73 HydrophobicContact CB-CG 4.09Å; L53-Y73 HydrophobicContact CD1-CD2 3.69Å; L53-Y73 HydrophobicContact CD1-CE1 4.46Å; L53-Y73 HydrophobicContact CD1-CE2 3.62Å; L53-Y73 HydrophobicContact CD1-CG 4.14Å; L53-V78 HydrophobicContact CD1-CG2 3.94Å; L53-W80 HydrophobicContact CD1-CH2 4.16Å; L53-W80 HydrophobicContact CD1-CZ2 3.82Å
54	D	94.4	Very high	93.9	Very high	108 Å²	108	56.7 Å²	56.7	58%	0.578	31%	0.307	S	S	*	.	S	Bend	trans	-81.9	-178.8	170.3	-143.6	-30.8	0	0	0	111.1	G33 C56 Y73	G33-D54 WeakPolarHBondContact CA-O 3.45Å; D54-C56 PolarHBondContact O-N 2.82Å; D54-Y73 WeakPolarHBondContact O-CD1 3.46Å
55	H	97.2	Very high	94.3	Very high	65 Å²	65	56.4 Å²	56.4	30%	0.301	30%	0.301	S	S	.	.			trans	-49	124.6	168.6	168.1	-166.8	0	0	0	110.2	T17 S57 Y73	T17-H55 WeakPolarHBondContact CG2-NE2 2.94Å; H55-S57 PolarHBondContact O-N 3.03Å; H55-Y73 WeakPolarHBondContact O-CA 3.47Å
56	C	98.5	Very high	94.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	98.2	173.1	-167.8	0	0	0	0	111.1	T17 G30 D54 A72 Y73	T17-C56 PolarHBondContact OG1-O 2.68Å; G30-C56 PolarHBondContact O-N 3.02Å; G30-C56 VanDerWaalsContact O-N 3.16Å; D54-C56 PolarHBondContact O-N 2.82Å; C56-A72 VanDerWaalsContact CA-O 3.29Å; C56-A72 WeakPolarHBondContact CA-O 3.43Å; C56-Y73 HydrophobicContact CB-CD1 3.85Å; C56-Y73 HydrophobicContact CB-CE1 3.49Å; C56-Y73 VanDerWaalsContact CB-CE1 3.49Å
57	S	98.4	Very high	94.6	Very high	24 Å²	24	54 Å²	54	17%	0.168	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-28.5	-176.8	57.4	0	0	0	0	113.7	H55 A72 I99	H55-S57 PolarHBondContact O-N 3.03Å; S57-A72 PolarHBondContact N-O 2.85Å; S57-I99 WeakPolarHBondContact CB-O 3.47Å; S57-I99 PolarHBondContact OG-O 2.68Å
58	S	98.6	Very high	94.7	Very high	13 Å²	13	51.4 Å²	51.4	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	151.2	-176.3	-157.7	0	0	0	0	112.1	S71 A72 I102	S58-S71 CarbonylContact O-C 3.56Å; S58-S71 WeakPolarHBondContact O-CA 3.34Å; S58-A72 PolarHBondContact O-N 3.01Å; S58-I102 PolarHBondContact OG-N 2.79Å
59	L	98.7	Very high	95	Very high	4 Å²	4	48 Å²	48	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	151.3	175.4	53	138.8	0	0	0	112.1	A18 A27 G29 L69 Y70	A18-L59 HydrophobicContact CB-CD2 3.36Å; A18-L59 HydrophobicContact CB-CG 4.14Å; A27-L59 HydrophobicContact CB-CD1 3.3Å; G29-L59 VanDerWaalsContact N-CD2 3.26Å; L59-L69 HydrophobicContact CB-CD1 4.28Å; L59-L69 HydrophobicContact CD1-CD1 4.1Å; L59-Y70 CarbonylContact C-O 3.6Å; L59-Y70 WeakPolarHBondContact CA-O 3.42Å; L59-Y70 VanDerWaalsContact CB-O 3.27Å; L59-Y70 WeakPolarHBondContact CB-O 3.07Å
60	K	98.2	Very high	95.1	Very high	56 Å²	56	45.8 Å²	45.8	24%	0.243	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	129.7	178	-153.1	68.9	171.5	170	0	112	S20 Y70 I102 D103 F104 E398	S20-K60 WeakPolarHBondContact OG-CA 3.33Å; K60-Y70 PolarHBondContact N-O 2.56Å; K60-Y70 PolarHBondContact O-N 3.44Å; K60-I102 HydrophobicContact CB-CD1 4.46Å; K60-I102 HydrophobicContact CB-CG1 4.39Å; K60-D103 WeakPolarHBondContact CE-OD1 3.42Å; K60-F104 HydrophobicContact CB-CB 4.37Å; K60-F104 HydrophobicContact CG-CB 3.91Å; K60-E398 IonicContact NZ-OE1 3.24Å
61	F	97.5	Very high	95.3	Very high	14 Å²	14	45.6 Å²	45.6	6%	0.061	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	145.5	168.2	-83.4	-74.2	0	0	0	111.6	S20 L25 A27 L37 A63 L69 I82	S20-F61 WeakPolarHBondContact O-CE2 3.31Å; S20-F61 PolarHBondContact OG-N 3.44Å; L25-F61 HydrophobicContact CB-CZ 4.23Å; A27-F61 HydrophobicContact CB-CD2 4.3Å; A27-F61 HydrophobicContact CB-CE2 3.47Å; A27-F61 VanDerWaalsContact CB-CE2 3.47Å; A27-F61 HydrophobicContact CB-CZ 3.82Å; L37-F61 HydrophobicContact CD2-CZ 3.9Å; F61-A63 PolarHBondContact O-N 3.05Å; F61-L69 HydrophobicContact CD1-CB 4.22Å; F61-L69 HydrophobicContact CD1-CD1 4.1Å; F61-L69 HydrophobicContact CD2-CD1 4.11Å; F61-L69 HydrophobicContact CE1-CB 4.14Å; F61-L69 HydrophobicContact CE1-CD1 4.23Å; F61-L69 HydrophobicContact CE2-CD1 4.25Å; F61-L69 HydrophobicContact CG-CD1 4.04Å; F61-L69 HydrophobicContact CZ-CD1 4.3Å; F61-I82 HydrophobicContact CE1-CD1 4.25Å; F61-I82 HydrophobicContact CE1-CG2 4.03Å
62	S	95.6	Very high	95.5	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.021	23%	0.229	C	C	.	.			trans	-78.3	113.4	170	179	0	0	0	0	110.7	A64 R65 S66 I68 F104	S62-A64 PolarHBondContact O-N 2.86Å; S62-A64 PolarHBondContact OG-N 3.04Å; S62-R65 WeakPolarHBondContact CB-O 3.45Å; S62-R65 CarbonylContact O-C 3.48Å; S62-R65 PolarHBondContact O-N 3.18Å; S62-R65 PolarHBondContact OG-N 3.48Å; S62-R65 VanDerWaalsContact OG-N 3.09Å; S62-S66 PolarHBondContact O-N 2.84Å; S62-I68 PolarHBondContact N-O 2.84Å; S62-F104 WeakPolarHBondContact OG-CZ 3.29Å
63	A	89.7	Confident	95.7	Very high	89 Å²	89	35.5 Å²	35.5	74%	0.736	20%	0.2	S	C	*	.	S	Bend	trans	-61.5	-25.6	170.5	0	0	0	0	0	112.8	F61 F104	F61-A63 PolarHBondContact O-N 3.05Å; A63-F104 HydrophobicContact CB-CD1 4.44Å; A63-F104 HydrophobicContact CB-CE1 4.26Å
64	A	87.3	Confident	95.8	Very high	46 Å²	46	33.7 Å²	33.7	38%	0.38	20%	0.195	S	C	.	.	S	Bend	trans	-81.2	-29	178.6	0	0	0	0	0	113.6	S62 F104 H109	S62-A64 PolarHBondContact O-N 2.86Å; S62-A64 PolarHBondContact OG-N 3.04Å; A64-F104 HydrophobicContact CB-CE1 4.39Å; A64-F104 HydrophobicContact CB-CZ 4.24Å; A64-H109 WeakPolarHBondContact CB-CE1 3.5Å; A64-H109 VanDerWaalsContact CB-ND1 3.33Å; A64-H109 WeakPolarHBondContact CB-ND1 3.01Å
65	R	89.9	Confident	95.9	Very high	123 Å²	123	32.7 Å²	32.7	46%	0.464	19%	0.187	S	C	.	.	S	Bend	trans	-139.7	86.3	-178.4	-62.3	-177.7	-172.9	176.8	6.9	107.3	S62 H67 I68	S62-R65 WeakPolarHBondContact CB-O 3.45Å; S62-R65 CarbonylContact O-C 3.48Å; S62-R65 PolarHBondContact O-N 3.18Å; S62-R65 PolarHBondContact OG-N 3.48Å; S62-R65 VanDerWaalsContact OG-N 3.09Å; R65-H67 PolarHBondContact O-N 3.01Å; R65-I68 HydrophobicContact CB-CB 4.19Å; R65-I68 HydrophobicContact CB-CG1 3.75Å; R65-I68 WeakPolarHBondContact O-CB 3.45Å; R65-I68 PolarHBondContact O-N 3.15Å
66	S	89.3	Confident	95.9	Very high	75 Å²	75	31.6 Å²	31.6	52%	0.524	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-13.7	-172.9	57	0	0	0	0	115.9	S62	S62-S66 PolarHBondContact O-N 2.84Å
67	H	93	Very high	95.9	Very high	50 Å²	50	31.6 Å²	31.6	23%	0.231	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-0.8	174.4	62.7	-81.4	0	0	0	114	R65 D81 I82 R83	R65-H67 PolarHBondContact O-N 3.01Å; H67-D81 IonicContact CD2-OD1 3.45Å; H67-D81 IonicContact CD2-OD2 3.79Å; H67-D81 WeakPolarHBondContact O-CA 3.39Å; H67-I82 HydrophobicContact CB-CD1 4.39Å; H67-I82 HydrophobicContact CB-CG1 4.04Å; H67-I82 WeakPolarHBondContact O-CG1 3.29Å; H67-I82 PolarHBondContact O-N 3.33Å; H67-R83 HydrophobicContact CB-CG 4.31Å; H67-R83 PolarHBondContact CD2-NH2 3.12Å; H67-R83 PolarHBondContact NE2-NH2 2.79Å; H67-R83 VanDerWaalsContact NE2-NH2 3.16Å
68	I	96.1	Very high	95.9	Very high	9 Å²	9	30.5 Å²	30.5	5%	0.046	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.1	179.9	-59.1	-60.9	0	0	0	109.6	S62 R65 Y70 S79 W80 D81	S62-I68 PolarHBondContact N-O 2.84Å; R65-I68 HydrophobicContact CB-CB 4.19Å; R65-I68 HydrophobicContact CB-CG1 3.75Å; R65-I68 WeakPolarHBondContact O-CB 3.45Å; R65-I68 PolarHBondContact O-N 3.15Å; I68-Y70 HydrophobicContact CG2-CD1 4.26Å; I68-Y70 HydrophobicContact CG2-CE1 3.67Å; I68-Y70 HydrophobicContact CG2-CE2 4.15Å; I68-S79 WeakPolarHBondContact CG2-OG 3.45Å; I68-W80 VanDerWaalsContact CA-O 3.29Å; I68-W80 WeakPolarHBondContact CA-O 3.45Å; I68-D81 HydrophobicContact CD1-CB 4.3Å
69	L	97.8	Very high	95.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134.7	170.7	177.5	69.2	0	0	0	108.7	A27 T35 L37 L59 F61 S79 W80 I82	A27-L69 HydrophobicContact CB-CD1 3.78Å; A27-L69 HydrophobicContact CB-CD2 3.77Å; A27-L69 HydrophobicContact CB-CG 4.45Å; T35-L69 HydrophobicContact CG2-CD2 3.87Å; L37-L69 HydrophobicContact CD2-CD2 4.05Å; L59-L69 HydrophobicContact CB-CD1 4.28Å; L59-L69 HydrophobicContact CD1-CD1 4.1Å; F61-L69 HydrophobicContact CD1-CB 4.22Å; F61-L69 HydrophobicContact CD1-CD1 4.1Å; F61-L69 HydrophobicContact CD2-CD1 4.11Å; F61-L69 HydrophobicContact CE1-CB 4.14Å; F61-L69 HydrophobicContact CE1-CD1 4.23Å; F61-L69 HydrophobicContact CE2-CD1 4.25Å; F61-L69 HydrophobicContact CG-CD1 4.04Å; F61-L69 HydrophobicContact CZ-CD1 4.3Å; L69-S79 WeakPolarHBondContact O-CA 3.31Å; L69-W80 HydrophobicContact CB-CB 4.37Å; L69-W80 PolarHBondContact N-O 3.02Å; L69-W80 PolarHBondContact O-N 2.77Å; L69-I82 HydrophobicContact CB-CG2 4.16Å
70	Y	98	Very high	95.8	Very high	7 Å²	7	30 Å²	30	3%	0.027	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	136	168.3	-53.5	-70.8	0	0	0	109.1	L59 K60 I68 V78 W92 F104 L111 V125	L59-Y70 CarbonylContact C-O 3.6Å; L59-Y70 WeakPolarHBondContact CA-O 3.42Å; L59-Y70 VanDerWaalsContact CB-O 3.27Å; L59-Y70 WeakPolarHBondContact CB-O 3.07Å; K60-Y70 PolarHBondContact N-O 2.56Å; K60-Y70 PolarHBondContact O-N 3.44Å; I68-Y70 HydrophobicContact CG2-CD1 4.26Å; I68-Y70 HydrophobicContact CG2-CE1 3.67Å; I68-Y70 HydrophobicContact CG2-CE2 4.15Å; Y70-V78 CarbonylContact C-O 3.54Å; Y70-V78 WeakPolarHBondContact CA-O 3.26Å; Y70-W92 HydrophobicContact CD1-CH2 4.33Å; Y70-W92 AromaticContact CD1-CZ3 3.96Å; Y70-W92 HydrophobicContact CD1-CZ3 3.96Å; Y70-W92 AromaticContact CE1-CH2 3.8Å; Y70-W92 HydrophobicContact CE1-CH2 3.8Å; Y70-W92 AromaticContact CE1-CZ3 3.88Å; Y70-W92 HydrophobicContact CE1-CZ3 3.88Å; Y70-F104 HydrophobicContact CD2-CD2 4.41Å; Y70-F104 AromaticContact CE2-CD2 3.89Å; Y70-F104 HydrophobicContact CE2-CD2 3.89Å; Y70-F104 AromaticContact CE2-CE2 3.96Å; Y70-F104 HydrophobicContact CE2-CE2 3.96Å; Y70-F104 HydrophobicContact CE2-CG 4.48Å; Y70-L111 HydrophobicContact CD1-CD1 3.82Å; Y70-L111 HydrophobicContact CD2-CD1 3.98Å; Y70-L111 HydrophobicContact CD2-CD2 3.76Å; Y70-L111 HydrophobicContact CD2-CG 4.25Å; Y70-L111 HydrophobicContact CE1-CD1 4.2Å; Y70-L111 HydrophobicContact CE2-CD1 4.31Å; Y70-L111 HydrophobicContact CE2-CD2 4.29Å; Y70-L111 HydrophobicContact CE2-CG 4.45Å; Y70-L111 HydrophobicContact CG-CD1 3.7Å; Y70-L111 HydrophobicContact CG-CD2 4.12Å; Y70-L111 HydrophobicContact CG-CG 4.43Å; Y70-V125 HydrophobicContact CE1-CG1 4.45Å; Y70-V125 HydrophobicContact CE2-CG1 4.4Å; Y70-V125 WeakPolarHBondContact OH-CB 3.27Å
71	S	98.4	Very high	95.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.6	179.8	-61.8	0	0	0	0	109.4	S58 Y73 V78	S58-S71 CarbonylContact O-C 3.56Å; S58-S71 WeakPolarHBondContact O-CA 3.34Å; S71-Y73 WeakPolarHBondContact CB-OH 3.5Å; S71-V78 PolarHBondContact N-O 3.36Å; S71-V78 PolarHBondContact O-N 2.83Å
72	A	98.6	Very high	95.6	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	135.8	175.3	0	0	0	0	0	110.2	C56 S57 S58 Q76 I99 I102	C56-A72 VanDerWaalsContact CA-O 3.29Å; C56-A72 WeakPolarHBondContact CA-O 3.43Å; S57-A72 PolarHBondContact N-O 2.85Å; S58-A72 PolarHBondContact O-N 3.01Å; A72-Q76 WeakPolarHBondContact CA-O 3.48Å; A72-I99 HydrophobicContact CB-CB 4.07Å; A72-I99 HydrophobicContact CB-CD1 4.35Å; A72-I99 HydrophobicContact CB-CG2 3.66Å; A72-I102 HydrophobicContact CB-CG2 3.88Å
73	Y	98.3	Very high	95.5	Very high	3 Å²	3	37.1 Å²	37.1	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	112.4	176	-54.3	-84.1	0	0	0	108.5	T35 L53 D54 H55 C56 S71 Q75 Q76 V78 W80	T35-Y73 WeakPolarHBondContact CB-OH 3.26Å; T35-Y73 PolarHBondContact OG1-OH 3.04Å; L53-Y73 HydrophobicContact CB-CD1 3.93Å; L53-Y73 HydrophobicContact CB-CD2 4.47Å; L53-Y73 HydrophobicContact CB-CE1 4.12Å; L53-Y73 HydrophobicContact CB-CG 4.09Å; L53-Y73 HydrophobicContact CD1-CD2 3.69Å; L53-Y73 HydrophobicContact CD1-CE1 4.46Å; L53-Y73 HydrophobicContact CD1-CE2 3.62Å; L53-Y73 HydrophobicContact CD1-CG 4.14Å; D54-Y73 WeakPolarHBondContact O-CD1 3.46Å; H55-Y73 WeakPolarHBondContact O-CA 3.47Å; C56-Y73 HydrophobicContact CB-CD1 3.85Å; C56-Y73 HydrophobicContact CB-CE1 3.49Å; C56-Y73 VanDerWaalsContact CB-CE1 3.49Å; S71-Y73 WeakPolarHBondContact CB-OH 3.5Å; Y73-Q75 PolarHBondContact O-N 2.91Å; Y73-Q75 VanDerWaalsContact O-N 3.14Å; Y73-Q76 PolarHBondContact N-O 3.49Å; Y73-Q76 WeakPolarHBondContact O-CG 3.41Å; Y73-Q76 PolarHBondContact O-N 2.71Å; Y73-Q76 VanDerWaalsContact O-N 3.13Å; Y73-V78 HydrophobicContact CD2-CB 4.06Å; Y73-V78 HydrophobicContact CD2-CG2 3.62Å; Y73-V78 HydrophobicContact CE2-CB 3.86Å; Y73-V78 HydrophobicContact CE2-CG2 3.88Å; Y73-W80 HydrophobicContact CE2-CZ2 4.17Å; Y73-W80 PolarHBondContact OH-NE1 3.48Å
74	G	97.5	Very high	95.6	Very high	18 Å²	18	39.4 Å²	39.4	19%	0.186	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	-119.5	-171	0	0	0	0	0	111.4	I99	G74-I99 WeakPolarHBondContact O-CB 3.48Å; G74-I99 WeakPolarHBondContact O-CG1 3.41Å; G74-I99 PolarHBondContact O-N 2.8Å
75	Q	97.5	Very high	95.8	Very high	87 Å²	87	37.9 Å²	37.9	41%	0.407	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-5.8	-176.4	-63.3	175.1	32	0	0	114.4	Y73 D96 D97	Y73-Q75 PolarHBondContact O-N 2.91Å; Y73-Q75 VanDerWaalsContact O-N 3.14Å; Q75-D96 PolarHBondContact OE1-O 2.62Å; Q75-D97 WeakPolarHBondContact CG-O 3.09Å
76	Q	97.6	Very high	95.9	Very high	43 Å²	43	37 Å²	37	20%	0.201	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	148.7	-172	55	172.2	29.7	0	0	112.7	A72 Y73 T91 W92 E93	A72-Q76 WeakPolarHBondContact CA-O 3.48Å; Y73-Q76 PolarHBondContact N-O 3.49Å; Y73-Q76 WeakPolarHBondContact O-CG 3.41Å; Y73-Q76 PolarHBondContact O-N 2.71Å; Y73-Q76 VanDerWaalsContact O-N 3.13Å; Q76-T91 HydrophobicContact CB-CG2 3.93Å; Q76-T91 HydrophobicContact CG-CG2 4.32Å; Q76-W92 CarbonylContact C-O 3.57Å; Q76-W92 VanDerWaalsContact CA-O 3.26Å; Q76-W92 WeakPolarHBondContact CA-O 3.47Å; Q76-E93 PolarHBondContact OE1-OE1 2.87Å
77	I	98.5	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.1	164.7	-58.2	176.8	0	0	0	108.7	T91 W92 V94 I99 I102 L111 I123	I77-T91 WeakPolarHBondContact O-CA 3.47Å; I77-W92 HydrophobicContact CB-CE3 4.19Å; I77-W92 HydrophobicContact CG2-CE3 4.02Å; I77-W92 HydrophobicContact CG2-CZ3 4.33Å; I77-W92 PolarHBondContact N-O 3.03Å; I77-W92 PolarHBondContact O-N 2.93Å; I77-V94 HydrophobicContact CD1-CG2 3.8Å; I77-V94 HydrophobicContact CG1-CG2 3.87Å; I77-I99 HydrophobicContact CG1-CD1 3.76Å; I77-I102 HydrophobicContact CD1-CG2 4.08Å; I77-I102 HydrophobicContact CG1-CG2 4.32Å; I77-L111 HydrophobicContact CD1-CD1 4.32Å; I77-L111 HydrophobicContact CG2-CD1 4.09Å; I77-I123 HydrophobicContact CD1-CD1 4.13Å
78	V	98	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.8	176.3	-177.9	0	0	0	0	109.6	L53 Y70 S71 Y73 W80 P88 T91	L53-V78 HydrophobicContact CD1-CG2 3.94Å; Y70-V78 CarbonylContact C-O 3.54Å; Y70-V78 WeakPolarHBondContact CA-O 3.26Å; S71-V78 PolarHBondContact N-O 3.36Å; S71-V78 PolarHBondContact O-N 2.83Å; Y73-V78 HydrophobicContact CD2-CB 4.06Å; Y73-V78 HydrophobicContact CD2-CG2 3.62Å; Y73-V78 HydrophobicContact CE2-CB 3.86Å; Y73-V78 HydrophobicContact CE2-CG2 3.88Å; V78-W80 HydrophobicContact CB-CZ2 4.33Å; V78-W80 HydrophobicContact CG1-CD2 4.02Å; V78-W80 VanDerWaalsContact CG1-CE2 3.49Å; V78-W80 HydrophobicContact CG1-CH2 4.09Å; V78-W80 HydrophobicContact CG1-CZ2 3.55Å; V78-P88 HydrophobicContact CG1-CB 3.71Å; V78-P88 HydrophobicContact CG1-CG 3.8Å; V78-T91 HydrophobicContact CG2-CG2 4.06Å
79	S	97.6	Very high	96.3	Very high	6 Å²	6	41.5 Å²	41.5	4%	0.042	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.4	171	179.4	0	0	0	0	110.2	I68 L69 V89 V90	I68-S79 WeakPolarHBondContact CG2-OG 3.45Å; L69-S79 WeakPolarHBondContact O-CA 3.31Å; S79-V89 WeakPolarHBondContact O-CB 3.36Å; S79-V89 PolarHBondContact O-N 3.19Å; S79-V90 PolarHBondContact N-O 2.85Å
80	W	97.6	Very high	96.3	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	141	177	-55.6	102.4	0	0	0	111.5	A50 P51 L53 I68 L69 Y73 V78 M85 P88	A50-W80 HydrophobicContact CB-CD2 4.2Å; A50-W80 HydrophobicContact CB-CE3 4.22Å; A50-W80 HydrophobicContact CB-CH2 3.81Å; A50-W80 HydrophobicContact CB-CZ2 3.74Å; A50-W80 HydrophobicContact CB-CZ3 4.04Å; P51-W80 HydrophobicContact CG-CH2 4.36Å; P51-W80 HydrophobicContact CG-CZ3 4.28Å; L53-W80 HydrophobicContact CD1-CH2 4.16Å; L53-W80 HydrophobicContact CD1-CZ2 3.82Å; I68-W80 VanDerWaalsContact CA-O 3.29Å; I68-W80 WeakPolarHBondContact CA-O 3.45Å; L69-W80 HydrophobicContact CB-CB 4.37Å; L69-W80 PolarHBondContact N-O 3.02Å; L69-W80 PolarHBondContact O-N 2.77Å; Y73-W80 HydrophobicContact CE2-CZ2 4.17Å; Y73-W80 PolarHBondContact OH-NE1 3.48Å; V78-W80 HydrophobicContact CB-CZ2 4.33Å; V78-W80 HydrophobicContact CG1-CD2 4.02Å; V78-W80 VanDerWaalsContact CG1-CE2 3.49Å; V78-W80 HydrophobicContact CG1-CH2 4.09Å; V78-W80 HydrophobicContact CG1-CZ2 3.55Å; W80-M85 HydrophobicContact CB-CE 4.21Å; W80-M85 HydrophobicContact CB-SD 3.51Å; W80-M85 VanDerWaalsContact CB-SD 3.51Å; W80-M85 HydrophobicContact CD2-CE 4.37Å; W80-M85 HydrophobicContact CD2-SD 4.35Å; W80-M85 HydrophobicContact CE3-SD 4.37Å; W80-M85 HydrophobicContact CG-CE 4.17Å; W80-M85 HydrophobicContact CG-SD 4.03Å; W80-P88 HydrophobicContact CH2-CG 3.85Å; W80-P88 HydrophobicContact CZ3-CB 4.44Å; W80-P88 HydrophobicContact CZ3-CG 3.82Å
81	D	96.3	Very high	96.3	Very high	29 Å²	29	46.5 Å²	46.5	16%	0.155	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	111.2	162.6	-175	-21.2	0	0	0	108	H67 I68 R83 R84 M85 V89	H67-D81 IonicContact CD2-OD1 3.45Å; H67-D81 IonicContact CD2-OD2 3.79Å; H67-D81 WeakPolarHBondContact O-CA 3.39Å; I68-D81 HydrophobicContact CD1-CB 4.3Å; D81-R83 PolarHBondContact O-N 2.99Å; D81-R83 VanDerWaalsContact OD1-CB 3.28Å; D81-R83 WeakPolarHBondContact OD1-CB 3.19Å; D81-R83 WeakPolarHBondContact OD1-CG 3.45Å; D81-R83 IonicContact OD1-CZ 2.85Å; D81-R83 PolarHBondContact OD1-N 2.59Å; D81-R83 IonicContact OD1-NE 2.68Å; D81-R83 PolarHBondContact OD1-NE 3Å; D81-R83 IonicContact OD1-NH2 3.8Å; D81-R83 IonicContact OD2-CZ 3.79Å; D81-R83 IonicContact OD2-NE 3.63Å; D81-R83 PolarHBondContact OD2-NE 2.72Å; D81-R83 IonicContact OD2-NH2 2.93Å; D81-R83 PolarHBondContact OD2-NH2 3.37Å; D81-R84 CarbonylContact O-C 3.58Å; D81-R84 WeakPolarHBondContact O-CA 3.31Å; D81-R84 PolarHBondContact O-N 2.91Å; D81-M85 PolarHBondContact O-N 2.82Å; D81-V89 HydrophobicContact CB-CG2 3.66Å
82	I	94.8	Very high	96.2	Very high	20 Å²	20	47.8 Å²	47.8	10%	0.103	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.1	-174.6	73	-177.4	0	0	0	113.2	L25 L37 L48 F61 H67 L69 M85	L25-I82 HydrophobicContact CD1-CD1 3.63Å; L37-I82 HydrophobicContact CD1-CB 3.56Å; L37-I82 HydrophobicContact CD1-CG2 3.52Å; L48-I82 WeakPolarHBondContact CD1-O 3.17Å; F61-I82 HydrophobicContact CE1-CD1 4.25Å; F61-I82 HydrophobicContact CE1-CG2 4.03Å; H67-I82 HydrophobicContact CB-CD1 4.39Å; H67-I82 HydrophobicContact CB-CG1 4.04Å; H67-I82 WeakPolarHBondContact O-CG1 3.29Å; H67-I82 PolarHBondContact O-N 3.33Å; L69-I82 HydrophobicContact CB-CG2 4.16Å; I82-M85 HydrophobicContact CG2-SD 4.34Å
83	R	94.3	Very high	96.1	Very high	175 Å²	175	53.9 Å²	53.9	66%	0.66	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-18.1	173	-55.6	169.3	-64.8	-170.6	1.9	111.5	H67 D81	H67-R83 HydrophobicContact CB-CG 4.31Å; H67-R83 PolarHBondContact CD2-NH2 3.12Å; H67-R83 PolarHBondContact NE2-NH2 2.79Å; H67-R83 VanDerWaalsContact NE2-NH2 3.16Å; D81-R83 PolarHBondContact O-N 2.99Å; D81-R83 VanDerWaalsContact OD1-CB 3.28Å; D81-R83 WeakPolarHBondContact OD1-CB 3.19Å; D81-R83 WeakPolarHBondContact OD1-CG 3.45Å; D81-R83 IonicContact OD1-CZ 2.85Å; D81-R83 PolarHBondContact OD1-N 2.59Å; D81-R83 IonicContact OD1-NE 2.68Å; D81-R83 PolarHBondContact OD1-NE 3Å; D81-R83 IonicContact OD1-NH2 3.8Å; D81-R83 IonicContact OD2-CZ 3.79Å; D81-R83 IonicContact OD2-NE 3.63Å; D81-R83 PolarHBondContact OD2-NE 2.72Å; D81-R83 IonicContact OD2-NH2 2.93Å; D81-R83 PolarHBondContact OD2-NH2 3.37Å
84	R	91.7	Very high	96	Very high	137 Å²	137	54.3 Å²	54.3	52%	0.517	27%	0.272	S	S	.	.			trans	-151.9	80.9	179.9	-168.7	-177.7	71.8	144.2	8.7	111.2	D81 T86 E87	D81-R84 CarbonylContact O-C 3.58Å; D81-R84 WeakPolarHBondContact O-CA 3.31Å; D81-R84 PolarHBondContact O-N 2.91Å; R84-T86 PolarHBondContact O-N 2.91Å; R84-T86 VanDerWaalsContact O-N 3.13Å; R84-E87 IonicContact CZ-OE1 3.74Å; R84-E87 VanDerWaalsContact CZ-OE1 3.24Å; R84-E87 IonicContact NH1-OE1 2.72Å; R84-E87 PolarHBondContact NH1-OE1 3.03Å; R84-E87 IonicContact NH2-OE1 3.95Å; R84-E87 PolarHBondContact NH2-OE1 3.3Å
85	M	91.5	Very high	96	Very high	13 Å²	13	53.7 Å²	53.7	6%	0.064	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	29.3	178.8	-64.3	-75.1	-81.9	0	0	113.5	L48 A50 P51 W80 D81 I82	L48-M85 HydrophobicContact CB-CG 4.46Å; L48-M85 HydrophobicContact CD1-CG 4.38Å; A50-M85 HydrophobicContact CB-CE 3.67Å; P51-M85 VanDerWaalsContact CD-O 3.31Å; P51-M85 WeakPolarHBondContact CD-O 3.47Å; W80-M85 HydrophobicContact CB-CE 4.21Å; W80-M85 HydrophobicContact CB-SD 3.51Å; W80-M85 VanDerWaalsContact CB-SD 3.51Å; W80-M85 HydrophobicContact CD2-CE 4.37Å; W80-M85 HydrophobicContact CD2-SD 4.35Å; W80-M85 HydrophobicContact CE3-SD 4.37Å; W80-M85 HydrophobicContact CG-CE 4.17Å; W80-M85 HydrophobicContact CG-SD 4.03Å; D81-M85 PolarHBondContact O-N 2.82Å; I82-M85 HydrophobicContact CG2-SD 4.34Å
86	T	92.2	Very high	95.9	Very high	104 Å²	104	55.7 Å²	55.7	64%	0.638	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-26.2	-178.3	53.7	0	0	0	0	113.2	P51 R84	P51-T86 WeakPolarHBondContact CG-O 3.42Å; R84-T86 PolarHBondContact O-N 2.91Å; R84-T86 VanDerWaalsContact O-N 3.13Å
87	E	95	Very high	95.9	Very high	98 Å²	98	56.7 Å²	56.7	46%	0.458	28%	0.284	S	S	.	.	S	Bend	trans	-149.7	150.7	178.6	62.1	-174	173.5	0	0	108.9	R84	R84-E87 IonicContact CZ-OE1 3.74Å; R84-E87 VanDerWaalsContact CZ-OE1 3.24Å; R84-E87 IonicContact NH1-OE1 2.72Å; R84-E87 PolarHBondContact NH1-OE1 3.03Å; R84-E87 IonicContact NH2-OE1 3.95Å; R84-E87 PolarHBondContact NH2-OE1 3.3Å
88	P	96.3	Very high	95.9	Very high	48 Å²	48	61.1 Å²	61.1	31%	0.312	31%	0.305	S	S	.	.			trans	-53.4	145	170	-30	38.3	0	0	0	112.8	V78 W80	V78-P88 HydrophobicContact CG1-CB 3.71Å; V78-P88 HydrophobicContact CG1-CG 3.8Å; W80-P88 HydrophobicContact CH2-CG 3.85Å; W80-P88 HydrophobicContact CZ3-CB 4.44Å; W80-P88 HydrophobicContact CZ3-CG 3.82Å
89	V	95.9	Very high	95.9	Very high	84 Å²	84	61.3 Å²	61.3	51%	0.509	31%	0.306	S	S	.	.	S	Bend	trans	-69.6	-45.3	164.2	177.1	0	0	0	0	109.4	S79 D81	S79-V89 WeakPolarHBondContact O-CB 3.36Å; S79-V89 PolarHBondContact O-N 3.19Å; D81-V89 HydrophobicContact CB-CG2 3.66Å
90	V	96.7	Very high	96	Very high	53 Å²	53	62.6 Å²	62.6	32%	0.321	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	152.6	175.9	63.8	0	0	0	0	109.5	S79 W92	S79-V90 PolarHBondContact N-O 2.85Å; V90-W92 HydrophobicContact CG1-CD2 4.32Å; V90-W92 VanDerWaalsContact CG1-CE2 3.5Å; V90-W92 HydrophobicContact CG1-CH2 4.24Å; V90-W92 HydrophobicContact CG1-CZ2 3.49Å; V90-W92 VanDerWaalsContact CG1-CZ2 3.49Å; V90-W92 VanDerWaalsContact CG2-NE1 3.31Å
91	T	97.5	Very high	96	Very high	59 Å²	59	62.9 Å²	62.9	36%	0.362	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.9	171.4	-59.7	0	0	0	0	108.3	Q76 I77 V78	Q76-T91 HydrophobicContact CB-CG2 3.93Å; Q76-T91 HydrophobicContact CG-CG2 4.32Å; I77-T91 WeakPolarHBondContact O-CA 3.47Å; V78-T91 HydrophobicContact CG2-CG2 4.06Å
92	W	97.7	Very high	96.1	Very high	26 Å²	26	61.6 Å²	61.6	10%	0.098	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	119.3	179.5	-56.6	-46.1	0	0	0	110.4	Y70 Q76 I77 V90 V94 L111 V125 G128	Y70-W92 HydrophobicContact CD1-CH2 4.33Å; Y70-W92 AromaticContact CD1-CZ3 3.96Å; Y70-W92 HydrophobicContact CD1-CZ3 3.96Å; Y70-W92 AromaticContact CE1-CH2 3.8Å; Y70-W92 HydrophobicContact CE1-CH2 3.8Å; Y70-W92 AromaticContact CE1-CZ3 3.88Å; Y70-W92 HydrophobicContact CE1-CZ3 3.88Å; Q76-W92 CarbonylContact C-O 3.57Å; Q76-W92 VanDerWaalsContact CA-O 3.26Å; Q76-W92 WeakPolarHBondContact CA-O 3.47Å; I77-W92 HydrophobicContact CB-CE3 4.19Å; I77-W92 HydrophobicContact CG2-CE3 4.02Å; I77-W92 HydrophobicContact CG2-CZ3 4.33Å; I77-W92 PolarHBondContact N-O 3.03Å; I77-W92 PolarHBondContact O-N 2.93Å; V90-W92 HydrophobicContact CG1-CD2 4.32Å; V90-W92 VanDerWaalsContact CG1-CE2 3.5Å; V90-W92 HydrophobicContact CG1-CH2 4.24Å; V90-W92 HydrophobicContact CG1-CZ2 3.49Å; V90-W92 VanDerWaalsContact CG1-CZ2 3.49Å; V90-W92 VanDerWaalsContact CG2-NE1 3.31Å; W92-V94 HydrophobicContact CB-CG1 3.69Å; W92-V94 PolarHBondContact O-N 2.97Å; W92-L111 HydrophobicContact CE3-CD1 4.41Å; W92-L111 HydrophobicContact CZ3-CD1 3.7Å; W92-V125 HydrophobicContact CH2-CB 3.94Å; W92-V125 HydrophobicContact CH2-CG1 4.31Å; W92-V125 WeakPolarHBondContact CZ2-O 3.42Å; W92-G128 VanDerWaalsContact CE2-CA 3.42Å
93	E	96.9	Very high	96.3	Very high	129 Å²	129	61.4 Å²	61.4	60%	0.603	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	96	167.5	-57.6	-63.8	167.3	0	0	107.7	Q76	Q76-E93 PolarHBondContact OE1-OE1 2.87Å
94	V	95.3	Very high	96.4	Very high	12 Å²	12	54 Å²	54	7%	0.073	28%	0.279	C	S	.	.			trans	-116.2	-20.8	-169.1	-74.4	0	0	0	0	113.3	I77 W92 I99 Q121 I123 V130	I77-V94 HydrophobicContact CD1-CG2 3.8Å; I77-V94 HydrophobicContact CG1-CG2 3.87Å; W92-V94 HydrophobicContact CB-CG1 3.69Å; W92-V94 PolarHBondContact O-N 2.97Å; V94-I99 HydrophobicContact CG2-CD1 4.43Å; V94-Q121 WeakPolarHBondContact O-CG 3.4Å; V94-I123 HydrophobicContact CB-CG1 4.13Å; V94-I123 HydrophobicContact CG1-CG1 3.88Å; V94-I123 HydrophobicContact CG1-CG2 4.34Å; V94-I123 HydrophobicContact CG2-CD1 4.46Å; V94-I123 HydrophobicContact CG2-CG1 4.41Å; V94-V130 HydrophobicContact CB-CG2 3.94Å; V94-V130 HydrophobicContact CG1-CG2 3.86Å
95	N	96.6	Very high	96.5	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.027	26%	0.256	C	S	.	.			trans	-116.7	152.1	179.6	-67.3	74	0	0	0	109.6	D97 I99 S113 D115 Q121	N95-D97 WeakPolarHBondContact CB-O 3.37Å; N95-I99 HydrophobicContact CB-CD1 4.3Å; N95-I99 HydrophobicContact CB-CG1 3.87Å; N95-S113 PolarHBondContact ND2-OG 3.49Å; N95-S113 WeakPolarHBondContact OD1-CB 2.98Å; N95-S113 PolarHBondContact OD1-OG 3.43Å; N95-D115 HydrophobicContact CB-CB 4.26Å; N95-D115 WeakPolarHBondContact ND2-CB 3.45Å; N95-D115 PolarHBondContact ND2-OD2 2.87Å; N95-Q121 WeakPolarHBondContact ND2-CG 3.27Å
96	D	95.2	Very high	96	Very high	129 Å²	129	48.3 Å²	48.3	69%	0.69	27%	0.266	S	S	*	.	S	Bend	trans	-92.8	-4.9	176.9	-63.3	-45.9	0	0	0	111.7	Q75	Q75-D96 PolarHBondContact OE1-O 2.62Å
97	D	98	Very high	95.6	Very high	63 Å²	63	47.8 Å²	47.8	34%	0.337	26%	0.259	S	S	.	.	S	Bend	trans	-145.8	169.4	-176.8	-140.9	-32.3	0	0	0	110.7	Q75 N95 I99 D115 D116	Q75-D97 WeakPolarHBondContact CG-O 3.09Å; N95-D97 WeakPolarHBondContact CB-O 3.37Å; D97-I99 PolarHBondContact O-N 2.86Å; D97-D115 HydrophobicContact CB-CB 4.46Å; D97-D116 HydrophobicContact CB-CB 4.12Å
98	E	98.1	Very high	95.3	Very high	94 Å²	94	46.1 Å²	46.1	44%	0.439	25%	0.252	S	S	.	.			trans	-57.5	129.4	-173.3	-68.4	-173.5	-172.2	0	0	112.3	D115 D116	E98-D115 CarbonylContact O-C 3.57Å; E98-D115 WeakPolarHBondContact O-CA 3.4Å; E98-D115 WeakPolarHBondContact O-CB 3.47Å; E98-D116 PolarHBondContact O-N 2.99Å
99	I	98.8	Very high	95.1	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.015	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	124	178.3	-63.3	171.9	0	0	0	108.6	S57 A72 G74 I77 V94 N95 D97 I102 A114	S57-I99 WeakPolarHBondContact CB-O 3.47Å; S57-I99 PolarHBondContact OG-O 2.68Å; A72-I99 HydrophobicContact CB-CB 4.07Å; A72-I99 HydrophobicContact CB-CD1 4.35Å; A72-I99 HydrophobicContact CB-CG2 3.66Å; G74-I99 WeakPolarHBondContact O-CB 3.48Å; G74-I99 WeakPolarHBondContact O-CG1 3.41Å; G74-I99 PolarHBondContact O-N 2.8Å; I77-I99 HydrophobicContact CG1-CD1 3.76Å; V94-I99 HydrophobicContact CG2-CD1 4.43Å; N95-I99 HydrophobicContact CB-CD1 4.3Å; N95-I99 HydrophobicContact CB-CG1 3.87Å; D97-I99 PolarHBondContact O-N 2.86Å; I99-I102 HydrophobicContact CG2-CG2 3.77Å; I99-A114 CarbonylContact C-O 3.57Å; I99-A114 WeakPolarHBondContact CA-O 3.32Å
100	N	98.7	Very high	95.2	Very high	34 Å²	34	45.4 Å²	45.4	18%	0.182	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-33.4	176.7	-68	-60.9	0	0	0	113.2	A114 D116 I140 C141 S142	N100-A114 PolarHBondContact N-O 2.78Å; N100-D116 PolarHBondContact ND2-N 3.36Å; N100-D116 PolarHBondContact ND2-OD1 2.85Å; N100-D116 PolarHBondContact OD1-OD1 3.25Å; N100-I140 WeakPolarHBondContact ND2-CG2 3.28Å; N100-C141 PolarHBondContact ND2-O 3.13Å; N100-S142 WeakPolarHBondContact CB-O 3.43Å
101	S	98.6	Very high	95.2	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.042	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	148.1	179.4	65.9	0	0	0	0	112.4	S113 A114 S142 S143 A144	S101-S113 VanDerWaalsContact O-CA 3.31Å; S101-S113 WeakPolarHBondContact O-CA 3.42Å; S101-A114 PolarHBondContact N-O 3.16Å; S101-A114 PolarHBondContact O-N 2.91Å; S101-A114 WeakPolarHBondContact OG-CB 3.22Å; S101-S142 WeakPolarHBondContact CB-O 3.43Å; S101-S142 PolarHBondContact OG-O 3.23Å; S101-S143 VanDerWaalsContact OG-CA 3.25Å; S101-S143 WeakPolarHBondContact OG-CA 3.47Å; S101-A144 PolarHBondContact OG-N 3.13Å
102	I	98.7	Very high	95.3	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	154.8	165.2	70.9	175.4	0	0	0	111.3	S58 K60 A72 I77 I99 S112	S58-I102 PolarHBondContact OG-N 2.79Å; K60-I102 HydrophobicContact CB-CD1 4.46Å; K60-I102 HydrophobicContact CB-CG1 4.39Å; A72-I102 HydrophobicContact CB-CG2 3.88Å; I77-I102 HydrophobicContact CD1-CG2 4.08Å; I77-I102 HydrophobicContact CG1-CG2 4.32Å; I99-I102 HydrophobicContact CG2-CG2 3.77Å; I102-S112 WeakPolarHBondContact CA-O 3.12Å; I102-S112 WeakPolarHBondContact CB-O 3.47Å
103	D	98.4	Very high	95.3	Very high	16 Å²	16	38.9 Å²	38.9	9%	0.086	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	158.5	169.6	-166.9	35.6	0	0	0	111	K60 L111 S112 A144 K145 F146	K60-D103 WeakPolarHBondContact CE-OD1 3.42Å; D103-L111 CarbonylContact O-C 3.6Å; D103-L111 VanDerWaalsContact O-CA 3.29Å; D103-L111 WeakPolarHBondContact O-CA 3.21Å; D103-L111 VanDerWaalsContact O-CD2 3.31Å; D103-L111 WeakPolarHBondContact O-CD2 3.48Å; D103-S112 PolarHBondContact N-O 3.09Å; D103-S112 VanDerWaalsContact N-O 3.12Å; D103-S112 PolarHBondContact O-N 2.83Å; D103-A144 WeakPolarHBondContact CB-O 3.28Å; D103-K145 HydrophobicContact CB-CD 4.02Å; D103-K145 WeakPolarHBondContact OD2-CA 3.47Å; D103-F146 HydrophobicContact CB-CD2 4.32Å; D103-F146 PolarHBondContact OD2-N 3.43Å
104	F	97.3	Very high	95.4	Very high	19 Å²	19	32.7 Å²	32.7	8%	0.083	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.8	-174.3	-177.4	-109.3	0	0	0	112	K60 S62 A63 A64 Y70 R110 L111 V125	K60-F104 HydrophobicContact CB-CB 4.37Å; K60-F104 HydrophobicContact CG-CB 3.91Å; S62-F104 WeakPolarHBondContact OG-CZ 3.29Å; A63-F104 HydrophobicContact CB-CD1 4.44Å; A63-F104 HydrophobicContact CB-CE1 4.26Å; A64-F104 HydrophobicContact CB-CE1 4.39Å; A64-F104 HydrophobicContact CB-CZ 4.24Å; Y70-F104 HydrophobicContact CD2-CD2 4.41Å; Y70-F104 AromaticContact CE2-CD2 3.89Å; Y70-F104 HydrophobicContact CE2-CD2 3.89Å; Y70-F104 AromaticContact CE2-CE2 3.96Å; Y70-F104 HydrophobicContact CE2-CE2 3.96Å; Y70-F104 HydrophobicContact CE2-CG 4.48Å; F104-R110 WeakPolarHBondContact CA-O 3.38Å; F104-R110 WeakPolarHBondContact CD2-O 3.48Å; F104-L111 HydrophobicContact CB-CD2 3.86Å; F104-L111 HydrophobicContact CD2-CD2 3.77Å; F104-L111 HydrophobicContact CD2-CG 4.05Å; F104-L111 HydrophobicContact CG-CD2 4.28Å; F104-V125 HydrophobicContact CD2-CG1 4.38Å; F104-V125 HydrophobicContact CE2-CG1 3.97Å; F104-V125 HydrophobicContact CE2-CG2 4.28Å
105	S	94	Very high	95.6	Very high	6 Å²	6	32.1 Å²	32.1	4%	0.042	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	104.9	167.7	155	0	0	0	0	108.9	D107 E108 H109 R110	S105-D107 PolarHBondContact OG-OD1 3.12Å; S105-E108 WeakPolarHBondContact OG-CB 3.38Å; S105-E108 PolarHBondContact OG-N 2.92Å; S105-H109 WeakPolarHBondContact O-CA 3.33Å; S105-H109 PolarHBondContact O-N 2.8Å; S105-R110 PolarHBondContact N-O 2.81Å; S105-R110 PolarHBondContact O-N 2.96Å
106	G	80.5	Confident	95.7	Very high	26 Å²	26	33.6 Å²	33.6	27%	0.268	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-28.5	-177.9	0	0	0	0	0	114.7
107	D	83.9	Confident	95.8	Very high	93 Å²	93	30 Å²	30	50%	0.497	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-32.9	176.6	55.4	-34.1	0	0	0	113	S105 T151	S105-D107 PolarHBondContact OG-OD1 3.12Å; D107-T151 WeakPolarHBondContact OD2-CB 3.3Å; D107-T151 WeakPolarHBondContact OD2-CG2 3.4Å
108	E	88.2	Confident	95.8	Very high	63 Å²	63	27.1 Å²	27.1	29%	0.294	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-1.3	-175.8	-56.9	-73.2	159.8	0	0	113.3	S105 R110 W168 K169	S105-E108 WeakPolarHBondContact OG-CB 3.38Å; S105-E108 PolarHBondContact OG-N 2.92Å; E108-R110 VanDerWaalsContact C-N 3.33Å; E108-R110 HydrophobicContact CB-CG 3.92Å; E108-R110 PolarHBondContact O-N 2.85Å; E108-R110 PolarHBondContact O-NH1 2.84Å; E108-W168 HydrophobicContact CB-CH2 4.14Å; E108-W168 HydrophobicContact CB-CZ2 4.45Å; E108-W168 HydrophobicContact CG-CH2 4.24Å; E108-W168 HydrophobicContact CG-CZ2 4.22Å; E108-K169 IonicContact OE1-NZ 2.81Å; E108-K169 PolarHBondContact OE1-NZ 3.27Å; E108-K169 WeakPolarHBondContact OE2-CE 3.41Å; E108-K169 IonicContact OE2-NZ 3.23Å; E108-K169 PolarHBondContact OE2-NZ 3.14Å
109	H	93.1	Very high	95.8	Very high	72 Å²	72	22.6 Å²	22.6	33%	0.333	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	52.6	-173	-56.1	-74	0	0	0	111.5	A64 S105 V125	A64-H109 WeakPolarHBondContact CB-CE1 3.5Å; A64-H109 VanDerWaalsContact CB-ND1 3.33Å; A64-H109 WeakPolarHBondContact CB-ND1 3.01Å; S105-H109 WeakPolarHBondContact O-CA 3.33Å; S105-H109 PolarHBondContact O-N 2.8Å; H109-V125 HydrophobicContact CB-CG2 3.86Å; H109-V125 WeakPolarHBondContact O-CG2 3.12Å; H109-V125 PolarHBondContact O-N 3.4Å
110	R	96.6	Very high	95.8	Very high	45 Å²	45	22.5 Å²	22.5	17%	0.17	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	141.9	-179.7	-65.7	-63.7	179.8	-99.6	18.8	111.1	F104 S105 E108 I122 I123 D124 F146 W168	F104-R110 WeakPolarHBondContact CA-O 3.38Å; F104-R110 WeakPolarHBondContact CD2-O 3.48Å; S105-R110 PolarHBondContact N-O 2.81Å; S105-R110 PolarHBondContact O-N 2.96Å; E108-R110 VanDerWaalsContact C-N 3.33Å; E108-R110 HydrophobicContact CB-CG 3.92Å; E108-R110 PolarHBondContact O-N 2.85Å; E108-R110 PolarHBondContact O-NH1 2.84Å; R110-I122 HydrophobicContact CB-CG2 4.4Å; R110-I122 HydrophobicContact CG-CG2 4.44Å; R110-I123 WeakPolarHBondContact CA-O 3.31Å; R110-I123 WeakPolarHBondContact CD-O 3.5Å; R110-D124 IonicContact CZ-OD2 3.14Å; R110-D124 VanDerWaalsContact CZ-OD2 3.23Å; R110-D124 IonicContact NH1-OD1 3.74Å; R110-D124 IonicContact NH1-OD2 3.7Å; R110-D124 PolarHBondContact NH1-OD2 2.99Å; R110-D124 IonicContact NH2-OD2 2.8Å; R110-D124 PolarHBondContact NH2-OD2 3.04Å; R110-F146 HydrophobicContact CB-CE1 4.38Å; R110-F146 HydrophobicContact CB-CE2 4.48Å; R110-F146 HydrophobicContact CB-CZ 3.82Å; R110-W168 HydrophobicContact CB-CH2 4.48Å; R110-W168 HydrophobicContact CG-CH2 3.74Å; R110-W168 HydrophobicContact CG-CZ3 4.02Å
111	L	98	Very high	95.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	149.6	162.3	-75.7	168.2	0	0	0	109.8	Y70 I77 W92 D103 F104 I122 I123 V125	Y70-L111 HydrophobicContact CD1-CD1 3.82Å; Y70-L111 HydrophobicContact CD2-CD1 3.98Å; Y70-L111 HydrophobicContact CD2-CD2 3.76Å; Y70-L111 HydrophobicContact CD2-CG 4.25Å; Y70-L111 HydrophobicContact CE1-CD1 4.2Å; Y70-L111 HydrophobicContact CE2-CD1 4.31Å; Y70-L111 HydrophobicContact CE2-CD2 4.29Å; Y70-L111 HydrophobicContact CE2-CG 4.45Å; Y70-L111 HydrophobicContact CG-CD1 3.7Å; Y70-L111 HydrophobicContact CG-CD2 4.12Å; Y70-L111 HydrophobicContact CG-CG 4.43Å; I77-L111 HydrophobicContact CD1-CD1 4.32Å; I77-L111 HydrophobicContact CG2-CD1 4.09Å; W92-L111 HydrophobicContact CE3-CD1 4.41Å; W92-L111 HydrophobicContact CZ3-CD1 3.7Å; D103-L111 CarbonylContact O-C 3.6Å; D103-L111 VanDerWaalsContact O-CA 3.29Å; D103-L111 WeakPolarHBondContact O-CA 3.21Å; D103-L111 VanDerWaalsContact O-CD2 3.31Å; D103-L111 WeakPolarHBondContact O-CD2 3.48Å; F104-L111 HydrophobicContact CB-CD2 3.86Å; F104-L111 HydrophobicContact CD2-CD2 3.77Å; F104-L111 HydrophobicContact CD2-CG 4.05Å; F104-L111 HydrophobicContact CG-CD2 4.28Å; L111-I122 CarbonylContact O-C 3.59Å; L111-I122 WeakPolarHBondContact O-CA 3.25Å; L111-I123 HydrophobicContact CB-CB 4.3Å; L111-I123 HydrophobicContact CB-CD1 4.19Å; L111-I123 PolarHBondContact N-O 2.93Å; L111-I123 PolarHBondContact O-N 2.59Å; L111-V125 HydrophobicContact CB-CG1 4.29Å; L111-V125 HydrophobicContact CD1-CG1 3.77Å; L111-V125 HydrophobicContact CG-CG1 3.62Å
112	S	98.5	Very high	95.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	145.3	159.5	57.2	0	0	0	0	110	I102 D103 Q121 L154	I102-S112 WeakPolarHBondContact CA-O 3.12Å; I102-S112 WeakPolarHBondContact CB-O 3.47Å; D103-S112 PolarHBondContact N-O 3.09Å; D103-S112 VanDerWaalsContact N-O 3.12Å; D103-S112 PolarHBondContact O-N 2.83Å; S112-Q121 CarbonylContact C-O 3.59Å; S112-Q121 WeakPolarHBondContact CA-O 3.34Å; S112-L154 VanDerWaalsContact CB-CD1 3.42Å
113	S	98.6	Very high	95.7	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.8	168.6	49.4	0	0	0	0	110.9	N95 S101 V120 Q121	N95-S113 PolarHBondContact ND2-OG 3.49Å; N95-S113 WeakPolarHBondContact OD1-CB 2.98Å; N95-S113 PolarHBondContact OD1-OG 3.43Å; S101-S113 VanDerWaalsContact O-CA 3.31Å; S101-S113 WeakPolarHBondContact O-CA 3.42Å; S113-V120 CarbonylContact O-C 3.57Å; S113-V120 VanDerWaalsContact O-CA 3.26Å; S113-V120 WeakPolarHBondContact O-CA 3.25Å; S113-Q121 PolarHBondContact N-O 2.89Å; S113-Q121 PolarHBondContact O-N 2.71Å; S113-Q121 WeakPolarHBondContact OG-CB 3.29Å
114	A	98.7	Very high	95.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	137.3	174.2	0	0	0	0	0	110.2	I99 N100 S101 A119 V120 C141 A144	I99-A114 CarbonylContact C-O 3.57Å; I99-A114 WeakPolarHBondContact CA-O 3.32Å; N100-A114 PolarHBondContact N-O 2.78Å; S101-A114 PolarHBondContact N-O 3.16Å; S101-A114 PolarHBondContact O-N 2.91Å; S101-A114 WeakPolarHBondContact OG-CB 3.22Å; A114-A119 WeakPolarHBondContact CA-O 3.4Å; A114-V120 HydrophobicContact CB-CG2 4.08Å; A114-C141 HydrophobicContact CB-CB 3.98Å; A114-C141 VanDerWaalsContact CB-O 3.32Å; A114-C141 WeakPolarHBondContact CB-O 3.48Å; A114-C141 VanDerWaalsContact CB-SG 3.59Å; A114-A144 HydrophobicContact CB-CB 3.89Å
115	D	98.6	Very high	95.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	173.7	-175.6	66.8	31.8	0	0	0	114.9	N95 D97 E98 S117 G118 A119 C141	N95-D115 HydrophobicContact CB-CB 4.26Å; N95-D115 WeakPolarHBondContact ND2-CB 3.45Å; N95-D115 PolarHBondContact ND2-OD2 2.87Å; D97-D115 HydrophobicContact CB-CB 4.46Å; E98-D115 CarbonylContact O-C 3.57Å; E98-D115 WeakPolarHBondContact O-CA 3.4Å; E98-D115 WeakPolarHBondContact O-CB 3.47Å; D115-S117 PolarHBondContact O-N 3.25Å; D115-S117 WeakPolarHBondContact OD1-CA 3.4Å; D115-S117 WeakPolarHBondContact OD1-CB 3.38Å; D115-S117 PolarHBondContact OD1-N 2.69Å; D115-S117 PolarHBondContact OD1-OG 2.93Å; D115-G118 PolarHBondContact O-N 2.66Å; D115-G118 VanDerWaalsContact O-N 3.08Å; D115-G118 PolarHBondContact OD1-N 3.28Å; D115-A119 PolarHBondContact N-O 3.04Å; D115-A119 PolarHBondContact OD1-N 2.74Å; D115-C141 PolarHBondContact O-N 3.07Å
116	D	98.6	Very high	95.5	Very high	35 Å²	35	25.2 Å²	25.2	19%	0.187	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.7	178.9	-85.3	6.7	0	0	0	114.3	D97 E98 N100 G118 I140	D97-D116 HydrophobicContact CB-CB 4.12Å; E98-D116 PolarHBondContact O-N 2.99Å; N100-D116 PolarHBondContact ND2-N 3.36Å; N100-D116 PolarHBondContact ND2-OD1 2.85Å; N100-D116 PolarHBondContact OD1-OD1 3.25Å; D116-G118 PolarHBondContact O-N 2.91Å; D116-I140 HydrophobicContact CB-CG1 4.2Å; D116-I140 WeakPolarHBondContact O-CA 3.42Å; D116-I140 WeakPolarHBondContact OD1-CG2 3.35Å
117	S	98	Very high	96.1	Very high	55 Å²	55	28.3 Å²	28.3	39%	0.385	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-6.4	175	84.1	0	0	0	0	113.3	D115 A119	D115-S117 PolarHBondContact O-N 3.25Å; D115-S117 WeakPolarHBondContact OD1-CA 3.4Å; D115-S117 WeakPolarHBondContact OD1-CB 3.38Å; D115-S117 PolarHBondContact OD1-N 2.69Å; D115-S117 PolarHBondContact OD1-OG 2.93Å; S117-A119 VanDerWaalsContact C-N 3.32Å; S117-A119 WeakPolarHBondContact OG-CB 3.06Å; S117-A119 PolarHBondContact OG-N 3.44Å
118	G	98	Very high	96.6	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.01	13%	0.129	C	C	.	.	S	Bend	trans	82.8	8.5	-173.1	0	0	0	0	0	113.8	D115 D116 N139	D115-G118 PolarHBondContact O-N 2.66Å; D115-G118 VanDerWaalsContact O-N 3.08Å; D115-G118 PolarHBondContact OD1-N 3.28Å; D116-G118 PolarHBondContact O-N 2.91Å; G118-N139 WeakPolarHBondContact CA-O 3.44Å
119	A	98.2	Very high	97	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	143.9	178.7	0	0	0	0	0	111.1	A114 D115 S117 T133 K135	A114-A119 WeakPolarHBondContact CA-O 3.4Å; D115-A119 PolarHBondContact N-O 3.04Å; D115-A119 PolarHBondContact OD1-N 2.74Å; S117-A119 VanDerWaalsContact C-N 3.32Å; S117-A119 WeakPolarHBondContact OG-CB 3.06Å; S117-A119 PolarHBondContact OG-N 3.44Å; A119-T133 HydrophobicContact CB-CG2 4.3Å; A119-K135 HydrophobicContact CB-CG 4.07Å
120	V	98.6	Very high	97.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	114.3	164	-175.5	0	0	0	0	109.3	S113 A114 I122 L134 C141 A144 L154	S113-V120 CarbonylContact O-C 3.57Å; S113-V120 VanDerWaalsContact O-CA 3.26Å; S113-V120 WeakPolarHBondContact O-CA 3.25Å; A114-V120 HydrophobicContact CB-CG2 4.08Å; V120-I122 HydrophobicContact CG1-CD1 4.36Å; V120-L134 HydrophobicContact CB-CB 4.19Å; V120-L134 HydrophobicContact CB-CD1 4.43Å; V120-L134 PolarHBondContact N-O 3.46Å; V120-L134 PolarHBondContact O-N 3.43Å; V120-C141 HydrophobicContact CG2-CB 4.49Å; V120-C141 VanDerWaalsContact CG2-SG 3.55Å; V120-A144 HydrophobicContact CG1-CB 3.84Å; V120-A144 HydrophobicContact CG2-CB 4.07Å; V120-L154 HydrophobicContact CG1-CD1 4.1Å; V120-L154 HydrophobicContact CG1-CD2 4.04Å
121	Q	98.5	Very high	97.2	Very high	10 Å²	10	27 Å²	27	5%	0.047	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	145.3	175.9	-53.5	-70.3	-0.6	0	0	110.1	V94 N95 S112 S113 I123 V130 T133	V94-Q121 WeakPolarHBondContact O-CG 3.4Å; N95-Q121 WeakPolarHBondContact ND2-CG 3.27Å; S112-Q121 CarbonylContact C-O 3.59Å; S112-Q121 WeakPolarHBondContact CA-O 3.34Å; S113-Q121 PolarHBondContact N-O 2.89Å; S113-Q121 PolarHBondContact O-N 2.71Å; S113-Q121 WeakPolarHBondContact OG-CB 3.29Å; Q121-I123 HydrophobicContact CB-CD1 3.97Å; Q121-I123 HydrophobicContact CB-CG1 4.5Å; Q121-V130 HydrophobicContact CB-CG1 4.37Å; Q121-T133 VanDerWaalsContact OE1-CB 3.28Å; Q121-T133 VanDerWaalsContact OE1-CG2 3.3Å; Q121-T133 PolarHBondContact OE1-OG1 3.08Å
122	I	98.2	Very high	97.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	114.8	174.1	-49.9	-63.3	0	0	0	108.9	R110 L111 V120 V130 T131 R132 L134 F146 L154 W168	R110-I122 HydrophobicContact CB-CG2 4.4Å; R110-I122 HydrophobicContact CG-CG2 4.44Å; L111-I122 CarbonylContact O-C 3.59Å; L111-I122 WeakPolarHBondContact O-CA 3.25Å; V120-I122 HydrophobicContact CG1-CD1 4.36Å; I122-V130 CarbonylContact O-C 3.5Å; I122-T131 PolarHBondContact O-N 2.9Å; I122-T131 PolarHBondContact O-OG1 3.42Å; I122-R132 HydrophobicContact CB-CB 4.06Å; I122-R132 HydrophobicContact CG1-CB 3.99Å; I122-R132 PolarHBondContact N-O 3.43Å; I122-R132 PolarHBondContact O-N 2.8Å; I122-L134 HydrophobicContact CD1-CD1 4.23Å; I122-L134 HydrophobicContact CG1-CD1 4.4Å; I122-L134 HydrophobicContact CG1-CG 4.5Å; I122-F146 HydrophobicContact CD1-CE1 4.49Å; I122-F146 HydrophobicContact CD1-CZ 4.42Å; I122-L154 HydrophobicContact CD1-CD1 3.81Å; I122-W168 HydrophobicContact CD1-CB 4.09Å; I122-W168 HydrophobicContact CG1-CB 4.19Å; I122-W168 HydrophobicContact CG2-CD2 4.5Å; I122-W168 HydrophobicContact CG2-CE3 3.75Å; I122-W168 HydrophobicContact CG2-CZ3 3.99Å
123	I	98	Very high	97	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.2	-169.2	-51	92.1	0	0	0	110.6	I77 V94 R110 L111 Q121 Q129 V130	I77-I123 HydrophobicContact CD1-CD1 4.13Å; V94-I123 HydrophobicContact CB-CG1 4.13Å; V94-I123 HydrophobicContact CG1-CG1 3.88Å; V94-I123 HydrophobicContact CG1-CG2 4.34Å; V94-I123 HydrophobicContact CG2-CD1 4.46Å; V94-I123 HydrophobicContact CG2-CG1 4.41Å; R110-I123 WeakPolarHBondContact CA-O 3.31Å; R110-I123 WeakPolarHBondContact CD-O 3.5Å; L111-I123 HydrophobicContact CB-CB 4.3Å; L111-I123 HydrophobicContact CB-CD1 4.19Å; L111-I123 PolarHBondContact N-O 2.93Å; L111-I123 PolarHBondContact O-N 2.59Å; Q121-I123 HydrophobicContact CB-CD1 3.97Å; Q121-I123 HydrophobicContact CB-CG1 4.5Å; I123-Q129 WeakPolarHBondContact CA-O 3.44Å; I123-V130 HydrophobicContact CG1-CG2 4.41Å
124	D	95.6	Very high	97	Very high	22 Å²	22	35 Å²	35	12%	0.118	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	111.6	166.6	-171.7	-35.5	0	0	0	109.9	R110 N126 N127 G128 Q129 T131	R110-D124 IonicContact CZ-OD2 3.14Å; R110-D124 VanDerWaalsContact CZ-OD2 3.23Å; R110-D124 IonicContact NH1-OD1 3.74Å; R110-D124 IonicContact NH1-OD2 3.7Å; R110-D124 PolarHBondContact NH1-OD2 2.99Å; R110-D124 IonicContact NH2-OD2 2.8Å; R110-D124 PolarHBondContact NH2-OD2 3.04Å; D124-N126 PolarHBondContact O-N 3.28Å; D124-N126 VanDerWaalsContact O-N 3.09Å; D124-N126 WeakPolarHBondContact OD1-CB 3.47Å; D124-N126 PolarHBondContact OD1-N 3.08Å; D124-N126 PolarHBondContact OD1-ND2 3.3Å; D124-N127 PolarHBondContact O-N 3.28Å; D124-N127 PolarHBondContact O-OD1 3.37Å; D124-G128 WeakPolarHBondContact O-CA 3.29Å; D124-G128 PolarHBondContact O-N 2.87Å; D124-Q129 PolarHBondContact N-O 2.8Å; D124-T131 HydrophobicContact CB-CG2 3.88Å
125	V	95.6	Very high	96.7	Very high	15 Å²	15	41.8 Å²	41.8	9%	0.091	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-12.1	-174.2	-55.7	0	0	0	0	114	Y70 W92 F104 H109 L111	Y70-V125 HydrophobicContact CE1-CG1 4.45Å; Y70-V125 HydrophobicContact CE2-CG1 4.4Å; Y70-V125 WeakPolarHBondContact OH-CB 3.27Å; W92-V125 HydrophobicContact CH2-CB 3.94Å; W92-V125 HydrophobicContact CH2-CG1 4.31Å; W92-V125 WeakPolarHBondContact CZ2-O 3.42Å; F104-V125 HydrophobicContact CD2-CG1 4.38Å; F104-V125 HydrophobicContact CE2-CG1 3.97Å; F104-V125 HydrophobicContact CE2-CG2 4.28Å; H109-V125 HydrophobicContact CB-CG2 3.86Å; H109-V125 WeakPolarHBondContact O-CG2 3.12Å; H109-V125 PolarHBondContact O-N 3.4Å; L111-V125 HydrophobicContact CB-CG1 4.29Å; L111-V125 HydrophobicContact CD1-CG1 3.77Å; L111-V125 HydrophobicContact CG-CG1 3.62Å
126	N	93.1	Very high	96.4	Very high	92 Å²	92	44.5 Å²	44.5	49%	0.492	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-24.1	178.9	-59.7	-68.4	0	0	0	112.8	D124	D124-N126 PolarHBondContact O-N 3.28Å; D124-N126 VanDerWaalsContact O-N 3.09Å; D124-N126 WeakPolarHBondContact OD1-CB 3.47Å; D124-N126 PolarHBondContact OD1-N 3.08Å; D124-N126 PolarHBondContact OD1-ND2 3.3Å
127	N	93.6	Very high	96.3	Very high	91 Å²	91	43.3 Å²	43.3	49%	0.487	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135	-3	-176.6	64.1	21.8	0	0	0	114	D124 Q129	D124-N127 PolarHBondContact O-N 3.28Å; D124-N127 PolarHBondContact O-OD1 3.37Å; N127-Q129 HydrophobicContact CB-CG 4.32Å; N127-Q129 PolarHBondContact O-N 3.14Å; N127-Q129 VanDerWaalsContact OD1-CB 3.27Å; N127-Q129 WeakPolarHBondContact OD1-CB 3.45Å; N127-Q129 WeakPolarHBondContact OD1-CG 3.44Å; N127-Q129 PolarHBondContact OD1-N 3.13Å
128	G	93.6	Very high	96.3	Very high	8 Å²	8	47 Å²	47	8%	0.082	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	9.9	179	0	0	0	0	0	114.9	W92 D124	W92-G128 VanDerWaalsContact CE2-CA 3.42Å; D124-G128 WeakPolarHBondContact O-CA 3.29Å; D124-G128 PolarHBondContact O-N 2.87Å
129	Q	96.5	Very high	96.3	Very high	122 Å²	122	50.3 Å²	50.3	57%	0.57	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	134	-176.1	-62.1	-62.6	-60.1	0	0	110.8	I123 D124 N127 T131	I123-Q129 WeakPolarHBondContact CA-O 3.44Å; D124-Q129 PolarHBondContact N-O 2.8Å; N127-Q129 HydrophobicContact CB-CG 4.32Å; N127-Q129 PolarHBondContact O-N 3.14Å; N127-Q129 VanDerWaalsContact OD1-CB 3.27Å; N127-Q129 WeakPolarHBondContact OD1-CB 3.45Å; N127-Q129 WeakPolarHBondContact OD1-CG 3.44Å; N127-Q129 PolarHBondContact OD1-N 3.13Å; Q129-T131 PolarHBondContact O-N 3.14Å; Q129-T131 VanDerWaalsContact O-N 3.17Å
130	V	97.7	Very high	96.3	Very high	55 Å²	55	51.4 Å²	51.4	33%	0.333	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	110.3	165.9	177.9	0	0	0	0	108.4	V94 Q121 I122 I123 R132	V94-V130 HydrophobicContact CB-CG2 3.94Å; V94-V130 HydrophobicContact CG1-CG2 3.86Å; Q121-V130 HydrophobicContact CB-CG1 4.37Å; I122-V130 CarbonylContact O-C 3.5Å; I123-V130 HydrophobicContact CG1-CG2 4.41Å; V130-R132 WeakPolarHBondContact CG1-O 3.43Å
131	T	96.2	Very high	96.3	Very high	59 Å²	59	51.3 Å²	51.3	36%	0.362	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-29.8	178.7	61	0	0	0	0	112.5	I122 D124 Q129	I122-T131 PolarHBondContact O-N 2.9Å; I122-T131 PolarHBondContact O-OG1 3.42Å; D124-T131 HydrophobicContact CB-CG2 3.88Å; Q129-T131 PolarHBondContact O-N 3.14Å; Q129-T131 VanDerWaalsContact O-N 3.17Å
132	R	96.4	Very high	96.3	Very high	91 Å²	91	51.7 Å²	51.7	34%	0.343	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	148	179	-65.7	-67.4	-70.8	-73.4	-12.8	110.6	I122 V130 W168 K169	I122-R132 HydrophobicContact CB-CB 4.06Å; I122-R132 HydrophobicContact CG1-CB 3.99Å; I122-R132 PolarHBondContact N-O 3.43Å; I122-R132 PolarHBondContact O-N 2.8Å; V130-R132 WeakPolarHBondContact CG1-O 3.43Å; R132-W168 PolarHBondContact NH1-O 3.04Å; R132-K169 PolarHBondContact NH1-O 2.86Å; R132-K169 VanDerWaalsContact NH1-O 3.11Å
133	T	97.1	Very high	96.3	Very high	65 Å²	65	52 Å²	52	40%	0.399	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.4	170.1	-51	0	0	0	0	108.1	A119 Q121 K135	A119-T133 HydrophobicContact CB-CG2 4.3Å; Q121-T133 VanDerWaalsContact OE1-CB 3.28Å; Q121-T133 VanDerWaalsContact OE1-CG2 3.3Å; Q121-T133 PolarHBondContact OE1-OG1 3.08Å; T133-K135 HydrophobicContact CG2-CD 4.37Å; T133-K135 HydrophobicContact CG2-CG 3.95Å
134	L	97.1	Very high	96.4	Very high	12 Å²	12	52 Å²	52	6%	0.063	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	96.1	178.7	-49.3	177.7	0	0	0	108.4	V120 I122 L154 W168	V120-L134 HydrophobicContact CB-CB 4.19Å; V120-L134 HydrophobicContact CB-CD1 4.43Å; V120-L134 PolarHBondContact N-O 3.46Å; V120-L134 PolarHBondContact O-N 3.43Å; I122-L134 HydrophobicContact CD1-CD1 4.23Å; I122-L134 HydrophobicContact CG1-CD1 4.4Å; I122-L134 HydrophobicContact CG1-CG 4.5Å; L134-L154 HydrophobicContact CD1-CD2 4.19Å; L134-W168 HydrophobicContact CD1-CB 4Å
135	K	93.9	Very high	96.5	Very high	144 Å²	144	53.1 Å²	53.1	63%	0.626	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	90.1	174.8	-67.6	-175	178.3	-162.8	0	109.1	A119 T133	A119-K135 HydrophobicContact CB-CG 4.07Å; T133-K135 HydrophobicContact CG2-CD 4.37Å; T133-K135 HydrophobicContact CG2-CG 3.95Å
136	K	91.5	Very high	96.6	Very high	56 Å²	56	53.1 Å²	53.1	24%	0.243	27%	0.271	C	S	.	.			trans	-131.6	-17	-177.6	-65.3	-175.2	-177.4	169.8	0	114	I164 S166 V175	K136-I164 HydrophobicContact CB-CD1 3.6Å; K136-I164 HydrophobicContact CD-CG2 3.78Å; K136-I164 WeakPolarHBondContact O-CD1 3.45Å; K136-S166 PolarHBondContact NZ-OG 3.11Å; K136-V175 HydrophobicContact CD-CG1 3.99Å
137	H	97.6	Very high	96.8	Very high	10 Å²	10	49 Å²	49	5%	0.046	25%	0.248	C	C	.	.			trans	-86.8	138.2	169.4	-68.6	-80.9	0	0	0	109.3	N139 C141 S156 G158 D160 R162	H137-N139 VanDerWaalsContact C-N 3.3Å; H137-N139 WeakPolarHBondContact CB-O 3.49Å; H137-C141 HydrophobicContact CB-CB 4.44Å; H137-C141 VanDerWaalsContact CD2-SG 3.51Å; H137-S156 WeakPolarHBondContact NE2-CB 3.47Å; H137-S156 PolarHBondContact NE2-OG 2.79Å; H137-G158 PolarHBondContact CE1-N 2.83Å; H137-D160 WeakPolarHBondContact CA-OD2 3.12Å; H137-D160 WeakPolarHBondContact CB-OD2 3.28Å; H137-D160 IonicContact CE1-OD1 3.65Å; H137-D160 IonicContact CG-OD1 3.84Å; H137-D160 IonicContact CG-OD2 3.19Å; H137-D160 VanDerWaalsContact ND1-CG 3.33Å; H137-D160 IonicContact ND1-OD1 3.1Å; H137-D160 PolarHBondContact ND1-OD1 2.98Å; H137-D160 IonicContact ND1-OD2 3.53Å; H137-D160 PolarHBondContact ND1-OD2 2.78Å; H137-D160 VanDerWaalsContact ND1-OD2 3.14Å; H137-R162 PolarHBondContact CE1-O 3.44Å
138	D	97.2	Very high	96.8	Very high	132 Å²	132	47 Å²	47	71%	0.706	24%	0.24	S	C	*	.	S	Bend	trans	-92.1	3.3	178.2	-65.2	-44.1	0	0	0	112	D160 R162	D138-D160 PolarHBondContact N-OD2 2.93Å; D138-R162 IonicContact OD2-CZ 2.74Å; D138-R162 IonicContact OD2-NH1 3.81Å; D138-R162 PolarHBondContact OD2-NH1 2.79Å; D138-R162 IonicContact OD2-NH2 3.53Å
139	N	97.8	Very high	96.7	Very high	72 Å²	72	49.4 Å²	49.4	39%	0.385	27%	0.265	S	S	.	.	S	Bend	trans	-149.3	-177.8	178.3	-160.5	-1.9	0	0	0	108.8	G118 H137 C141 L159 D160	G118-N139 WeakPolarHBondContact CA-O 3.44Å; H137-N139 VanDerWaalsContact C-N 3.3Å; H137-N139 WeakPolarHBondContact CB-O 3.49Å; N139-C141 PolarHBondContact O-N 2.79Å; N139-L159 HydrophobicContact CB-CB 4.35Å; N139-L159 PolarHBondContact ND2-O 3.42Å; N139-D160 HydrophobicContact CB-CB 3.91Å
140	I	98.5	Very high	96.6	Very high	22 Å²	22	45.3 Å²	45.3	11%	0.113	24%	0.244	C	C	.	.			trans	-42.8	125.9	178	-62	-179.5	0	0	0	111.6	N100 D116 G158 L159	N100-I140 WeakPolarHBondContact ND2-CG2 3.28Å; D116-I140 HydrophobicContact CB-CG1 4.2Å; D116-I140 WeakPolarHBondContact O-CA 3.42Å; D116-I140 WeakPolarHBondContact OD1-CG2 3.35Å; I140-G158 CarbonylContact O-C 3.57Å; I140-G158 WeakPolarHBondContact O-CA 3.47Å; I140-L159 HydrophobicContact CB-CB 4.17Å; I140-L159 HydrophobicContact CB-CD1 3.8Å; I140-L159 HydrophobicContact CB-CG 3.84Å; I140-L159 HydrophobicContact CD1-CD1 3.93Å; I140-L159 HydrophobicContact CG1-CD1 4.28Å; I140-L159 HydrophobicContact CG2-CD1 4.12Å; I140-L159 HydrophobicContact CG2-CG 4.13Å; I140-L159 PolarHBondContact O-N 2.89Å
141	C	98.8	Very high	96.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	101.6	169.5	-171.3	0	0	0	0	108.1	N100 A114 D115 V120 H137 N139	N100-C141 PolarHBondContact ND2-O 3.13Å; A114-C141 HydrophobicContact CB-CB 3.98Å; A114-C141 VanDerWaalsContact CB-O 3.32Å; A114-C141 WeakPolarHBondContact CB-O 3.48Å; A114-C141 VanDerWaalsContact CB-SG 3.59Å; D115-C141 PolarHBondContact O-N 3.07Å; V120-C141 HydrophobicContact CG2-CB 4.49Å; V120-C141 VanDerWaalsContact CG2-SG 3.55Å; H137-C141 HydrophobicContact CB-CB 4.44Å; H137-C141 VanDerWaalsContact CD2-SG 3.51Å; N139-C141 PolarHBondContact O-N 2.79Å
142	S	98.7	Very high	96.1	Very high	17 Å²	17	44.8 Å²	44.8	12%	0.119	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-36.3	-175	57.4	0	0	0	0	112.4	N100 S101 G157 V310 H311	N100-S142 WeakPolarHBondContact CB-O 3.43Å; S101-S142 WeakPolarHBondContact CB-O 3.43Å; S101-S142 PolarHBondContact OG-O 3.23Å; S142-G157 PolarHBondContact N-O 2.83Å; S142-G157 VanDerWaalsContact N-O 3.08Å; S142-G157 PolarHBondContact OG-O 3.07Å; S142-G157 VanDerWaalsContact OG-O 3.11Å; S142-V310 PolarHBondContact OG-O 2.9Å; S142-H311 PolarHBondContact OG-O 2.91Å
143	S	98.7	Very high	96.1	Very high	6 Å²	6	41 Å²	41	4%	0.042	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	135.2	-170.5	-158.3	0	0	0	0	112.6	S101 S156 G157 V313	S101-S143 VanDerWaalsContact OG-CA 3.25Å; S101-S143 WeakPolarHBondContact OG-CA 3.47Å; S143-S156 CarbonylContact O-C 3.51Å; S143-S156 WeakPolarHBondContact O-CA 3.36Å; S143-G157 PolarHBondContact N-O 3.43Å; S143-G157 PolarHBondContact O-N 2.94Å; S143-V313 PolarHBondContact OG-N 3Å
144	A	98.7	Very high	96.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131.5	169.9	0	0	0	0	0	111.4	S101 D103 A114 V120 L154 I155	S101-A144 PolarHBondContact OG-N 3.13Å; D103-A144 WeakPolarHBondContact CB-O 3.28Å; A114-A144 HydrophobicContact CB-CB 3.89Å; V120-A144 HydrophobicContact CG1-CB 3.84Å; V120-A144 HydrophobicContact CG2-CB 4.07Å; A144-L154 HydrophobicContact CB-CD1 4.39Å; A144-L154 HydrophobicContact CB-CD2 4.14Å; A144-I155 CarbonylContact C-O 3.57Å; A144-I155 VanDerWaalsContact CA-O 3.31Å; A144-I155 WeakPolarHBondContact CA-O 3.37Å
145	K	98.5	Very high	96.1	Very high	46 Å²	46	37.4 Å²	37.4	20%	0.2	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	134.7	-179.3	-59.2	-64.5	174.7	-168	0	111.4	D103 L154 I155 V313	D103-K145 HydrophobicContact CB-CD 4.02Å; D103-K145 WeakPolarHBondContact OD2-CA 3.47Å; K145-L154 CarbonylContact O-C 3.55Å; K145-L154 WeakPolarHBondContact O-CA 3.06Å; K145-I155 PolarHBondContact N-O 2.85Å; K145-I155 PolarHBondContact O-N 3Å; K145-V313 HydrophobicContact CB-CG2 4.39Å; K145-V313 HydrophobicContact CG-CG2 3.86Å; K145-V313 WeakPolarHBondContact CG-O 3.18Å
146	F	97.6	Very high	96.4	Very high	16 Å²	16	30.7 Å²	30.7	7%	0.07	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	137.5	166.3	-69.9	-77.4	0	0	0	109.3	D103 R110 I122 P148 L154 W168	D103-F146 HydrophobicContact CB-CD2 4.32Å; D103-F146 PolarHBondContact OD2-N 3.43Å; R110-F146 HydrophobicContact CB-CE1 4.38Å; R110-F146 HydrophobicContact CB-CE2 4.48Å; R110-F146 HydrophobicContact CB-CZ 3.82Å; I122-F146 HydrophobicContact CD1-CE1 4.49Å; I122-F146 HydrophobicContact CD1-CZ 4.42Å; F146-P148 VanDerWaalsContact O-CD 3.29Å; F146-P148 WeakPolarHBondContact O-CD 3.27Å; F146-L154 HydrophobicContact CD1-CD1 4.28Å; F146-L154 HydrophobicContact CE1-CD1 4.12Å; F146-L154 HydrophobicContact CZ-CD1 4.36Å; F146-W168 AromaticContact CD1-CE2 3.99Å; F146-W168 HydrophobicContact CD1-CZ2 4.33Å; F146-W168 AromaticContact CD1-NE1 3.59Å; F146-W168 HydrophobicContact CE1-CD2 4.1Å; F146-W168 AromaticContact CE1-CE2 3.66Å; F146-W168 HydrophobicContact CE1-CG 4.36Å; F146-W168 AromaticContact CE1-CZ2 3.96Å; F146-W168 HydrophobicContact CE1-CZ2 3.96Å; F146-W168 AromaticContact CE1-NE1 3.67Å
147	R	96.2	Very high	96.7	Very high	4 Å²	4	28 Å²	28	2%	0.015	16%	0.159	C	C	.	.			trans	-85.3	115.6	179.5	-170.8	-178.9	-179	-158.3	-3.9	110.2	R150 Q153 I155 G319 G336 G338	R147-R150 HydrophobicContact CB-CB 4.21Å; R147-R150 HydrophobicContact CG-CB 4.12Å; R147-R150 HydrophobicContact CG-CG 4.15Å; R147-R150 CarbonylContact O-C 3.54Å; R147-R150 PolarHBondContact O-N 3.48Å; R147-R150 VanDerWaalsContact O-N 3.15Å; R147-Q153 HydrophobicContact CB-CB 3.95Å; R147-Q153 PolarHBondContact N-O 3.34Å; R147-Q153 VanDerWaalsContact N-O 3.12Å; R147-I155 HydrophobicContact CB-CG1 4.35Å; R147-G319 PolarHBondContact NE-O 2.93Å; R147-G319 PolarHBondContact NH2-O 2.8Å; R147-G336 PolarHBondContact NH2-O 3Å; R147-G338 PolarHBondContact NH1-O 3.26Å
148	P	94.7	Very high	96.8	Very high	49 Å²	49	27.5 Å²	27.5	32%	0.318	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	142.4	-178.9	-27.5	37.9	0	0	0	112.7	F146 R150 C315 A317	F146-P148 VanDerWaalsContact O-CD 3.29Å; F146-P148 WeakPolarHBondContact O-CD 3.27Å; P148-R150 PolarHBondContact O-N 3.26Å; P148-C315 HydrophobicContact CG-CB 4.4Å; P148-A317 WeakPolarHBondContact CB-O 3.41Å
149	G	91.8	Very high	96.8	Very high	59 Å²	59	22.3 Å²	22.3	61%	0.608	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.4	-6	-178.8	0	0	0	0	0	115.7
150	R	93.1	Very high	96.8	Very high	36 Å²	36	20.2 Å²	20.2	14%	0.136	12%	0.117	C	C	.	.			trans	-118.4	70.4	176.2	-56.2	-58	-176.2	-75.8	-6.6	108.7	R147 P148 W152 Q153 D320 G338	R147-R150 HydrophobicContact CB-CB 4.21Å; R147-R150 HydrophobicContact CG-CB 4.12Å; R147-R150 HydrophobicContact CG-CG 4.15Å; R147-R150 CarbonylContact O-C 3.54Å; R147-R150 PolarHBondContact O-N 3.48Å; R147-R150 VanDerWaalsContact O-N 3.15Å; P148-R150 PolarHBondContact O-N 3.26Å; R150-W152 HydrophobicContact CB-CZ2 4.47Å; R150-W152 PolarHBondContact O-N 2.85Å; R150-Q153 HydrophobicContact CB-CB 4.1Å; R150-Q153 HydrophobicContact CB-CG 4.19Å; R150-Q153 PolarHBondContact O-N 3.05Å; R150-D320 IonicContact CZ-OD1 3.05Å; R150-D320 IonicContact NH1-OD1 3.61Å; R150-D320 IonicContact NH2-OD1 2.93Å; R150-D320 PolarHBondContact NH2-OD1 3.11Å; R150-G338 WeakPolarHBondContact CD-O 3.5Å; R150-G338 VanDerWaalsContact NE-CA 3.26Å; R150-G338 PolarHBondContact NE-O 2.59Å
151	T	91.3	Very high	96.8	Very high	45 Å²	45	19.9 Å²	19.9	28%	0.276	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-0.9	-166.4	80	0	0	0	0	115.7	D107 W168 K169	D107-T151 WeakPolarHBondContact OD2-CB 3.3Å; D107-T151 WeakPolarHBondContact OD2-CG2 3.4Å; T151-W168 WeakPolarHBondContact O-CZ2 3.31Å; T151-W168 PolarHBondContact O-NE1 3.4Å; T151-K169 WeakPolarHBondContact O-CD 3.3Å; T151-K169 WeakPolarHBondContact O-CE 3.27Å; T151-K169 PolarHBondContact O-NZ 3.09Å; T151-K169 VanDerWaalsContact O-NZ 3.13Å; T151-K169 PolarHBondContact OG1-NZ 3.07Å; T151-K169 VanDerWaalsContact OG1-NZ 3.08Å
152	W	92.9	Very high	96.7	Very high	58 Å²	58	22.2 Å²	22.2	22%	0.22	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-6.1	173	62.7	88.8	0	0	0	113.5	R150 D167 W168 K169 L173 K339	R150-W152 HydrophobicContact CB-CZ2 4.47Å; R150-W152 PolarHBondContact O-N 2.85Å; W152-D167 CarbonylContact O-C 3.56Å; W152-D167 VanDerWaalsContact O-CA 3.31Å; W152-D167 WeakPolarHBondContact O-CA 3.39Å; W152-W168 PolarHBondContact O-N 3.19Å; W152-K169 HydrophobicContact CB-CB 4.32Å; W152-K169 HydrophobicContact CB-CD 4.09Å; W152-K169 HydrophobicContact CB-CG 4.37Å; W152-L173 VanDerWaalsContact CD1-CD1 3.41Å; W152-L173 HydrophobicContact CD2-CD1 3.97Å; W152-L173 HydrophobicContact CG-CD1 3.78Å; W152-K339 HydrophobicContact CZ2-CG 3.78Å
153	Q	95.7	Very high	96.7	Very high	13 Å²	13	21.4 Å²	21.4	6%	0.061	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	139.5	-175	-64.9	-167.9	-39.7	0	0	112.6	R147 R150 V165 S166 W168 K339	R147-Q153 HydrophobicContact CB-CB 3.95Å; R147-Q153 PolarHBondContact N-O 3.34Å; R147-Q153 VanDerWaalsContact N-O 3.12Å; R150-Q153 HydrophobicContact CB-CB 4.1Å; R150-Q153 HydrophobicContact CB-CG 4.19Å; R150-Q153 PolarHBondContact O-N 3.05Å; Q153-V165 HydrophobicContact CG-CG1 4.34Å; Q153-S166 WeakPolarHBondContact CA-O 3.37Å; Q153-W168 VanDerWaalsContact C-CD1 3.4Å; Q153-K339 PolarHBondContact NE2-O 3.02Å
154	L	97.4	Very high	96.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	134.6	168.5	175.7	141.3	0	0	0	107.3	S112 V120 I122 L134 A144 K145 F146 S166 W168	S112-L154 VanDerWaalsContact CB-CD1 3.42Å; V120-L154 HydrophobicContact CG1-CD1 4.1Å; V120-L154 HydrophobicContact CG1-CD2 4.04Å; I122-L154 HydrophobicContact CD1-CD1 3.81Å; L134-L154 HydrophobicContact CD1-CD2 4.19Å; A144-L154 HydrophobicContact CB-CD1 4.39Å; A144-L154 HydrophobicContact CB-CD2 4.14Å; K145-L154 CarbonylContact O-C 3.55Å; K145-L154 WeakPolarHBondContact O-CA 3.06Å; F146-L154 HydrophobicContact CD1-CD1 4.28Å; F146-L154 HydrophobicContact CE1-CD1 4.12Å; F146-L154 HydrophobicContact CZ-CD1 4.36Å; L154-S166 PolarHBondContact N-O 3.36Å; L154-S166 PolarHBondContact O-N 2.69Å; L154-W168 HydrophobicContact CB-CB 4.3Å; L154-W168 HydrophobicContact CB-CG 4.3Å
155	I	98.3	Very high	96.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.3	175.3	-48.7	-56	0	0	0	107.1	A144 K145 R147 V163 I164 V165 V313 V322 L341	A144-I155 CarbonylContact C-O 3.57Å; A144-I155 VanDerWaalsContact CA-O 3.31Å; A144-I155 WeakPolarHBondContact CA-O 3.37Å; K145-I155 PolarHBondContact N-O 2.85Å; K145-I155 PolarHBondContact O-N 3Å; R147-I155 HydrophobicContact CB-CG1 4.35Å; I155-V163 HydrophobicContact CG2-CG1 3.72Å; I155-I164 WeakPolarHBondContact CA-O 3.29Å; I155-V165 HydrophobicContact CD1-CB 4.1Å; I155-V165 HydrophobicContact CD1-CG1 3.75Å; I155-V165 HydrophobicContact CD1-CG2 3.83Å; I155-V313 HydrophobicContact CG2-CB 4.44Å; I155-V313 HydrophobicContact CG2-CG2 4.29Å; I155-V322 HydrophobicContact CD1-CG2 4.47Å; I155-V322 HydrophobicContact CG1-CG1 4.4Å; I155-V322 HydrophobicContact CG1-CG2 4.16Å; I155-V322 HydrophobicContact CG2-CG1 3.83Å; I155-L341 HydrophobicContact CD1-CD1 3.75Å
156	S	98.8	Very high	96.5	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.021	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	148.4	171.3	59.2	0	0	0	0	111.4	H137 S143 V163 I164	H137-S156 WeakPolarHBondContact NE2-CB 3.47Å; H137-S156 PolarHBondContact NE2-OG 2.79Å; S143-S156 CarbonylContact O-C 3.51Å; S143-S156 WeakPolarHBondContact O-CA 3.36Å; S156-V163 CarbonylContact O-C 3.58Å; S156-V163 VanDerWaalsContact O-CA 3.27Å; S156-V163 WeakPolarHBondContact O-CA 3.43Å; S156-I164 PolarHBondContact N-O 3.19Å; S156-I164 PolarHBondContact O-N 2.8Å
157	G	98.8	Very high	96.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.2	174.1	0	0	0	0	0	110	S142 S143 R162	S142-G157 PolarHBondContact N-O 2.83Å; S142-G157 VanDerWaalsContact N-O 3.08Å; S142-G157 PolarHBondContact OG-O 3.07Å; S142-G157 VanDerWaalsContact OG-O 3.11Å; S143-G157 PolarHBondContact N-O 3.43Å; S143-G157 PolarHBondContact O-N 2.94Å; G157-R162 WeakPolarHBondContact CA-O 3.41Å
158	G	98.5	Very high	96.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	168.7	-178.2	0	0	0	0	0	115.3	H137 I140 D160 C161 R162 V310	H137-G158 PolarHBondContact CE1-N 2.83Å; I140-G158 CarbonylContact O-C 3.57Å; I140-G158 WeakPolarHBondContact O-CA 3.47Å; G158-D160 PolarHBondContact O-N 3.38Å; G158-C161 PolarHBondContact O-N 2.95Å; G158-R162 PolarHBondContact N-O 2.78Å; G158-R162 VanDerWaalsContact N-O 3.13Å; G158-V310 PolarHBondContact O-N 3.04Å
159	L	98.2	Very high	96.2	Very high	23 Å²	23	20.5 Å²	20.5	12%	0.12	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	2.7	176.3	-61.6	-159.2	0	0	0	113	N139 I140 M309	N139-L159 HydrophobicContact CB-CB 4.35Å; N139-L159 PolarHBondContact ND2-O 3.42Å; I140-L159 HydrophobicContact CB-CB 4.17Å; I140-L159 HydrophobicContact CB-CD1 3.8Å; I140-L159 HydrophobicContact CB-CG 3.84Å; I140-L159 HydrophobicContact CD1-CD1 3.93Å; I140-L159 HydrophobicContact CG1-CD1 4.28Å; I140-L159 HydrophobicContact CG2-CD1 4.12Å; I140-L159 HydrophobicContact CG2-CG 4.13Å; I140-L159 PolarHBondContact O-N 2.89Å; L159-M309 HydrophobicContact CB-CE 3.47Å; L159-M309 VanDerWaalsContact CB-CE 3.47Å; L159-M309 HydrophobicContact CD1-CE 3.71Å; L159-M309 HydrophobicContact CD2-CB 4.04Å; L159-M309 HydrophobicContact CD2-CE 3.93Å; L159-M309 HydrophobicContact CG-CE 3.86Å
160	D	97.8	Very high	96	Very high	27 Å²	27	19.7 Å²	19.7	14%	0.144	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	13.4	166.6	64.2	-14	0	0	0	112.6	H137 D138 N139 G158 R162	H137-D160 WeakPolarHBondContact CA-OD2 3.12Å; H137-D160 WeakPolarHBondContact CB-OD2 3.28Å; H137-D160 IonicContact CE1-OD1 3.65Å; H137-D160 IonicContact CG-OD1 3.84Å; H137-D160 IonicContact CG-OD2 3.19Å; H137-D160 VanDerWaalsContact ND1-CG 3.33Å; H137-D160 IonicContact ND1-OD1 3.1Å; H137-D160 PolarHBondContact ND1-OD1 2.98Å; H137-D160 IonicContact ND1-OD2 3.53Å; H137-D160 PolarHBondContact ND1-OD2 2.78Å; H137-D160 VanDerWaalsContact ND1-OD2 3.14Å; D138-D160 PolarHBondContact N-OD2 2.93Å; N139-D160 HydrophobicContact CB-CB 3.91Å; G158-D160 PolarHBondContact O-N 3.38Å; D160-R162 VanDerWaalsContact C-N 3.3Å; D160-R162 PolarHBondContact O-N 3.4Å; D160-R162 PolarHBondContact OD1-N 2.87Å; D160-R162 WeakPolarHBondContact OD2-CD 3.48Å; D160-R162 IonicContact OD2-NH1 3.76Å
161	C	97.6	Very high	95.6	Very high	16 Å²	16	21.4 Å²	21.4	11%	0.108	12%	0.121	C	C	.	.	S	Bend	trans	64	29.1	179.1	-53.2	0	0	0	0	113.8	G158 M180 P308	G158-C161 PolarHBondContact O-N 2.95Å; C161-M180 HydrophobicContact CB-CB 4.43Å; C161-M180 VanDerWaalsContact O-CB 3.25Å; C161-M180 WeakPolarHBondContact O-CB 3.2Å; C161-M180 VanDerWaalsContact O-CG 3.29Å; C161-M180 WeakPolarHBondContact O-CG 3.07Å; C161-M180 PolarHBondContact O-N 3.37Å; C161-P308 HydrophobicContact CB-CG 4.35Å
162	R	98.4	Very high	95.1	Very high	48 Å²	48	22.6 Å²	22.6	18%	0.181	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	142.2	-178.8	-71.9	174.4	178.3	152.4	3.1	113.1	H137 D138 G157 G158 D160 I164 I177 F178 E179	H137-R162 PolarHBondContact CE1-O 3.44Å; D138-R162 IonicContact OD2-CZ 2.74Å; D138-R162 IonicContact OD2-NH1 3.81Å; D138-R162 PolarHBondContact OD2-NH1 2.79Å; D138-R162 IonicContact OD2-NH2 3.53Å; G157-R162 WeakPolarHBondContact CA-O 3.41Å; G158-R162 PolarHBondContact N-O 2.78Å; G158-R162 VanDerWaalsContact N-O 3.13Å; D160-R162 VanDerWaalsContact C-N 3.3Å; D160-R162 PolarHBondContact O-N 3.4Å; D160-R162 PolarHBondContact OD1-N 2.87Å; D160-R162 WeakPolarHBondContact OD2-CD 3.48Å; D160-R162 IonicContact OD2-NH1 3.76Å; R162-I164 HydrophobicContact CB-CD1 4.35Å; R162-I164 HydrophobicContact CB-CG1 4.04Å; R162-I177 HydrophobicContact CB-CG2 4.44Å; R162-I177 HydrophobicContact CG-CG2 4.02Å; R162-F178 WeakPolarHBondContact CA-O 3.42Å; R162-E179 WeakPolarHBondContact CG-OE2 3.31Å; R162-E179 IonicContact CZ-OE1 2.71Å; R162-E179 IonicContact CZ-OE2 3.9Å; R162-E179 VanDerWaalsContact NE-CD 3.28Å; R162-E179 IonicContact NE-OE1 3.96Å; R162-E179 PolarHBondContact NE-OE1 2.89Å; R162-E179 IonicContact NE-OE2 2.77Å; R162-E179 PolarHBondContact NE-OE2 2.98Å; R162-E179 IonicContact NH2-OE1 3.66Å; R162-E179 PolarHBondContact NH2-OE1 2.92Å; R162-E179 IonicContact NH2-OE2 2.77Å
163	V	98.6	Very high	94.4	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.7	154.9	175.6	0	0	0	0	109.1	I155 S156 F178 M180 V310 V313 A324	I155-V163 HydrophobicContact CG2-CG1 3.72Å; S156-V163 CarbonylContact O-C 3.58Å; S156-V163 VanDerWaalsContact O-CA 3.27Å; S156-V163 WeakPolarHBondContact O-CA 3.43Å; V163-F178 HydrophobicContact CB-CB 4.34Å; V163-F178 HydrophobicContact CB-CD2 4.43Å; V163-F178 HydrophobicContact CG1-CD2 4.36Å; V163-F178 PolarHBondContact N-O 3.16Å; V163-F178 PolarHBondContact O-N 3.27Å; V163-M180 HydrophobicContact CB-CE 3.64Å; V163-M180 HydrophobicContact CG2-CE 3.46Å; V163-M180 VanDerWaalsContact CG2-CE 3.46Å; V163-M180 HydrophobicContact CG2-SD 4.35Å; V163-V310 HydrophobicContact CG2-CG1 4.22Å; V163-V310 HydrophobicContact CG2-CG2 3.91Å; V163-V313 HydrophobicContact CG2-CG1 4.44Å; V163-A324 HydrophobicContact CG2-CB 3.63Å
164	I	98.1	Very high	93.8	Very high	0 Å²	0	25 Å²	25	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120.6	-175	-53.9	-175.1	0	0	0	110.4	K136 I155 S156 R162 V175 I176 I177	K136-I164 HydrophobicContact CB-CD1 3.6Å; K136-I164 HydrophobicContact CD-CG2 3.78Å; K136-I164 WeakPolarHBondContact O-CD1 3.45Å; I155-I164 WeakPolarHBondContact CA-O 3.29Å; S156-I164 PolarHBondContact N-O 3.19Å; S156-I164 PolarHBondContact O-N 2.8Å; R162-I164 HydrophobicContact CB-CD1 4.35Å; R162-I164 HydrophobicContact CB-CG1 4.04Å; I164-V175 HydrophobicContact CG2-CG1 3.64Å; I164-I176 CarbonylContact C-O 3.52Å; I164-I176 WeakPolarHBondContact CA-O 3.15Å; I164-I177 HydrophobicContact CG1-CG1 4.31Å; I164-I177 HydrophobicContact CG1-CG2 4.4Å; I164-I177 HydrophobicContact CG2-CG1 4.31Å
165	V	97.3	Very high	93.5	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	107	169.3	-168.9	0	0	0	0	108.3	Q153 I155 V175 I176 F178 L341	Q153-V165 HydrophobicContact CG-CG1 4.34Å; I155-V165 HydrophobicContact CD1-CB 4.1Å; I155-V165 HydrophobicContact CD1-CG1 3.75Å; I155-V165 HydrophobicContact CD1-CG2 3.83Å; V165-V175 WeakPolarHBondContact O-CA 3.34Å; V165-I176 HydrophobicContact CB-CB 3.96Å; V165-I176 HydrophobicContact CB-CG1 4.49Å; V165-I176 HydrophobicContact CG2-CB 4.03Å; V165-I176 PolarHBondContact N-O 2.58Å; V165-I176 PolarHBondContact O-N 3.03Å; V165-F178 HydrophobicContact CG2-CD2 4.48Å; V165-F178 HydrophobicContact CG2-CE2 3.91Å; V165-L341 HydrophobicContact CG2-CD1 3.9Å
166	S	96.4	Very high	93.3	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.007	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	133.8	-176.6	-71.7	0	0	0	0	112.5	K136 Q153 L154 W168	K136-S166 PolarHBondContact NZ-OG 3.11Å; Q153-S166 WeakPolarHBondContact CA-O 3.37Å; L154-S166 PolarHBondContact N-O 3.36Å; L154-S166 PolarHBondContact O-N 2.69Å; S166-W168 PolarHBondContact O-N 3.36Å; S166-W168 VanDerWaalsContact O-N 3.11Å
167	D	94.6	Very high	93.2	Very high	15 Å²	15	34.6 Å²	34.6	8%	0.08	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	89	156.8	176.8	3.7	0	0	0	109.9	W152 K169 G170 S171 G172 L173	W152-D167 CarbonylContact O-C 3.56Å; W152-D167 VanDerWaalsContact O-CA 3.31Å; W152-D167 WeakPolarHBondContact O-CA 3.39Å; D167-K169 VanDerWaalsContact C-N 3.28Å; D167-K169 PolarHBondContact O-N 3.14Å; D167-K169 PolarHBondContact OD1-N 3.1Å; D167-G170 PolarHBondContact O-N 3.27Å; D167-G170 PolarHBondContact OD1-N 3.39Å; D167-S171 PolarHBondContact OD1-N 2.73Å; D167-S171 PolarHBondContact OD1-OG 3.24Å; D167-S171 WeakPolarHBondContact OD2-CA 3.4Å; D167-S171 PolarHBondContact OD2-N 3.39Å; D167-S171 PolarHBondContact OD2-OG 3.17Å; D167-G172 PolarHBondContact OD2-N 3.42Å; D167-L173 HydrophobicContact CB-CB 4.33Å; D167-L173 PolarHBondContact OD2-N 3.23Å
168	W	94.2	Very high	93.1	Very high	10 Å²	10	35.8 Å²	35.8	4%	0.038	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-25.4	-177.6	68.4	-100.3	0	0	0	111.9	E108 R110 I122 R132 L134 F146 T151 W152 Q153 L154 S166 G170	E108-W168 HydrophobicContact CB-CH2 4.14Å; E108-W168 HydrophobicContact CB-CZ2 4.45Å; E108-W168 HydrophobicContact CG-CH2 4.24Å; E108-W168 HydrophobicContact CG-CZ2 4.22Å; R110-W168 HydrophobicContact CB-CH2 4.48Å; R110-W168 HydrophobicContact CG-CH2 3.74Å; R110-W168 HydrophobicContact CG-CZ3 4.02Å; I122-W168 HydrophobicContact CD1-CB 4.09Å; I122-W168 HydrophobicContact CG1-CB 4.19Å; I122-W168 HydrophobicContact CG2-CD2 4.5Å; I122-W168 HydrophobicContact CG2-CE3 3.75Å; I122-W168 HydrophobicContact CG2-CZ3 3.99Å; R132-W168 PolarHBondContact NH1-O 3.04Å; L134-W168 HydrophobicContact CD1-CB 4Å; F146-W168 AromaticContact CD1-CE2 3.99Å; F146-W168 HydrophobicContact CD1-CZ2 4.33Å; F146-W168 AromaticContact CD1-NE1 3.59Å; F146-W168 HydrophobicContact CE1-CD2 4.1Å; F146-W168 AromaticContact CE1-CE2 3.66Å; F146-W168 HydrophobicContact CE1-CG 4.36Å; F146-W168 AromaticContact CE1-CZ2 3.96Å; F146-W168 HydrophobicContact CE1-CZ2 3.96Å; F146-W168 AromaticContact CE1-NE1 3.67Å; T151-W168 WeakPolarHBondContact O-CZ2 3.31Å; T151-W168 PolarHBondContact O-NE1 3.4Å; W152-W168 PolarHBondContact O-N 3.19Å; Q153-W168 VanDerWaalsContact C-CD1 3.4Å; L154-W168 HydrophobicContact CB-CB 4.3Å; L154-W168 HydrophobicContact CB-CG 4.3Å; S166-W168 PolarHBondContact O-N 3.36Å; S166-W168 VanDerWaalsContact O-N 3.11Å; W168-G170 VanDerWaalsContact C-N 3.26Å; W168-G170 PolarHBondContact O-N 3.46Å
169	K	93.6	Very high	93	Very high	72 Å²	72	38 Å²	38	31%	0.313	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-19.6	175	-75.1	-174.9	171.1	171.5	0	112.6	E108 R132 T151 W152 D167 S171	E108-K169 IonicContact OE1-NZ 2.81Å; E108-K169 PolarHBondContact OE1-NZ 3.27Å; E108-K169 WeakPolarHBondContact OE2-CE 3.41Å; E108-K169 IonicContact OE2-NZ 3.23Å; E108-K169 PolarHBondContact OE2-NZ 3.14Å; R132-K169 PolarHBondContact NH1-O 2.86Å; R132-K169 VanDerWaalsContact NH1-O 3.11Å; T151-K169 WeakPolarHBondContact O-CD 3.3Å; T151-K169 WeakPolarHBondContact O-CE 3.27Å; T151-K169 PolarHBondContact O-NZ 3.09Å; T151-K169 VanDerWaalsContact O-NZ 3.13Å; T151-K169 PolarHBondContact OG1-NZ 3.07Å; T151-K169 VanDerWaalsContact OG1-NZ 3.08Å; W152-K169 HydrophobicContact CB-CB 4.32Å; W152-K169 HydrophobicContact CB-CD 4.09Å; W152-K169 HydrophobicContact CB-CG 4.37Å; D167-K169 VanDerWaalsContact C-N 3.28Å; D167-K169 PolarHBondContact O-N 3.14Å; D167-K169 PolarHBondContact OD1-N 3.1Å; K169-S171 VanDerWaalsContact C-N 3.3Å
170	G	86.7	Confident	92.9	Very high	43 Å²	43	36.9 Å²	36.9	44%	0.443	23%	0.232	S	C	.	.			trans	69.8	30.5	-176.7	0	0	0	0	0	112.6	D167 W168 G172	D167-G170 PolarHBondContact O-N 3.27Å; D167-G170 PolarHBondContact OD1-N 3.39Å; W168-G170 VanDerWaalsContact C-N 3.26Å; W168-G170 PolarHBondContact O-N 3.46Å; G170-G172 PolarHBondContact O-N 3.34Å
171	S	84.4	Confident	92.5	Very high	71 Å²	71	38.4 Å²	38.4	50%	0.497	24%	0.24	S	C	.	.	S	Bend	trans	-69.1	-5	176.8	65	0	0	0	0	114.2	D167 K169 L173	D167-S171 PolarHBondContact OD1-N 2.73Å; D167-S171 PolarHBondContact OD1-OG 3.24Å; D167-S171 WeakPolarHBondContact OD2-CA 3.4Å; D167-S171 PolarHBondContact OD2-N 3.39Å; D167-S171 PolarHBondContact OD2-OG 3.17Å; K169-S171 VanDerWaalsContact C-N 3.3Å; S171-L173 VanDerWaalsContact OG-CD1 3.27Å; S171-L173 WeakPolarHBondContact OG-CD1 3.45Å; S171-L173 VanDerWaalsContact OG-CG 3.26Å; S171-L173 WeakPolarHBondContact OG-CG 3.26Å
172	G	80.9	Confident	92	Very high	71 Å²	71	44.8 Å²	44.8	73%	0.732	27%	0.268	S	S	*	.	S	Bend	trans	87.5	15.2	179.8	0	0	0	0	0	113.5	D167 G170 G174	D167-G172 PolarHBondContact OD2-N 3.42Å; G170-G172 PolarHBondContact O-N 3.34Å; G172-G174 PolarHBondContact O-N 3.19Å
173	L	79	Confident	91.4	Very high	77 Å²	77	44.2 Å²	44.2	40%	0.403	27%	0.268	S	S	.	.			trans	-79.7	-3	-175.9	-68.9	176.1	0	0	0	114.2	W152 D167 S171 K339	W152-L173 VanDerWaalsContact CD1-CD1 3.41Å; W152-L173 HydrophobicContact CD2-CD1 3.97Å; W152-L173 HydrophobicContact CG-CD1 3.78Å; D167-L173 HydrophobicContact CB-CB 4.33Å; D167-L173 PolarHBondContact OD2-N 3.23Å; S171-L173 VanDerWaalsContact OG-CD1 3.27Å; S171-L173 WeakPolarHBondContact OG-CD1 3.45Å; S171-L173 VanDerWaalsContact OG-CG 3.26Å; S171-L173 WeakPolarHBondContact OG-CG 3.26Å; L173-K339 HydrophobicContact CD2-CD 4.03Å
174	G	82.7	Confident	90.6	Very high	45 Å²	45	45.6 Å²	45.6	46%	0.464	28%	0.277	S	S	.	.			trans	90.4	-171.7	173.8	0	0	0	0	0	114	G172	G172-G174 PolarHBondContact O-N 3.19Å
175	V	91.5	Very high	89	Confident	72 Å²	72	50.8 Å²	50.8	44%	0.436	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.5	-177.4	-173.2	0	0	0	0	107.2	K136 I164 V165 I177	K136-V175 HydrophobicContact CD-CG1 3.99Å; I164-V175 HydrophobicContact CG2-CG1 3.64Å; V165-V175 WeakPolarHBondContact O-CA 3.34Å; V175-I177 HydrophobicContact CG1-CG1 4.04Å
176	I	93.9	Very high	87	Confident	51 Å²	51	52.6 Å²	52.6	26%	0.262	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.1	169.4	-52.9	171	0	0	0	106.2	I164 V165 F178	I164-I176 CarbonylContact C-O 3.52Å; I164-I176 WeakPolarHBondContact CA-O 3.15Å; V165-I176 HydrophobicContact CB-CB 3.96Å; V165-I176 HydrophobicContact CB-CG1 4.49Å; V165-I176 HydrophobicContact CG2-CB 4.03Å; V165-I176 PolarHBondContact N-O 2.58Å; V165-I176 PolarHBondContact O-N 3.03Å; I176-F178 HydrophobicContact CG2-CD2 4.29Å; I176-F178 HydrophobicContact CG2-CE1 4.29Å; I176-F178 HydrophobicContact CG2-CE2 3.79Å; I176-F178 HydrophobicContact CG2-CZ 3.8Å
177	I	96	Very high	84.8	Confident	80 Å²	80	57 Å²	57	41%	0.41	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126	175.5	-58.4	175.8	0	0	0	105.8	R162 I164 V175 E179	R162-I177 HydrophobicContact CB-CG2 4.44Å; R162-I177 HydrophobicContact CG-CG2 4.02Å; I164-I177 HydrophobicContact CG1-CG1 4.31Å; I164-I177 HydrophobicContact CG1-CG2 4.4Å; I164-I177 HydrophobicContact CG2-CG1 4.31Å; V175-I177 HydrophobicContact CG1-CG1 4.04Å; I177-E179 HydrophobicContact CG2-CG 4.31Å
178	F	97	Very high	82.7	Confident	25 Å²	25	62.2 Å²	62.2	11%	0.11	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	113.4	167.6	-61.7	-78.8	0	0	0	107.1	R162 V163 V165 I176 M180 I183 F334 L341	R162-F178 WeakPolarHBondContact CA-O 3.42Å; V163-F178 HydrophobicContact CB-CB 4.34Å; V163-F178 HydrophobicContact CB-CD2 4.43Å; V163-F178 HydrophobicContact CG1-CD2 4.36Å; V163-F178 PolarHBondContact N-O 3.16Å; V163-F178 PolarHBondContact O-N 3.27Å; V165-F178 HydrophobicContact CG2-CD2 4.48Å; V165-F178 HydrophobicContact CG2-CE2 3.91Å; I176-F178 HydrophobicContact CG2-CD2 4.29Å; I176-F178 HydrophobicContact CG2-CE1 4.29Å; I176-F178 HydrophobicContact CG2-CE2 3.79Å; I176-F178 HydrophobicContact CG2-CZ 3.8Å; F178-M180 HydrophobicContact CB-CE 3.39Å; F178-M180 HydrophobicContact CG-CE 4.46Å; F178-I183 HydrophobicContact CB-CD1 3.83Å; F178-I183 HydrophobicContact CD1-CD1 4.02Å; F178-I183 HydrophobicContact CG-CD1 4.34Å; F178-F334 HydrophobicContact CB-CE1 4.16Å; F178-F334 HydrophobicContact CB-CZ 4.48Å; F178-F334 HydrophobicContact CD1-CD1 4.16Å; F178-F334 AromaticContact CD1-CE1 3.7Å; F178-F334 HydrophobicContact CD1-CE1 3.7Å; F178-F334 HydrophobicContact CD2-CD1 4.17Å; F178-F334 AromaticContact CD2-CE1 3.92Å; F178-F334 HydrophobicContact CD2-CE1 3.92Å; F178-F334 AromaticContact CE1-CD1 3.95Å; F178-F334 HydrophobicContact CE1-CD1 3.95Å; F178-F334 AromaticContact CE1-CE1 3.97Å; F178-F334 HydrophobicContact CE1-CE1 3.97Å; F178-F334 AromaticContact CE2-CD1 3.95Å; F178-F334 HydrophobicContact CE2-CD1 3.95Å; F178-F334 HydrophobicContact CE2-CE1 4.17Å; F178-F334 HydrophobicContact CG-CD1 4.26Å; F178-F334 AromaticContact CG-CE1 3.66Å; F178-F334 HydrophobicContact CG-CE1 3.66Å; F178-F334 HydrophobicContact CG-CZ 4.38Å; F178-F334 AromaticContact CZ-CD1 3.83Å; F178-F334 HydrophobicContact CZ-CD1 3.83Å; F178-F334 HydrophobicContact CZ-CE1 4.19Å; F178-L341 HydrophobicContact CE2-CB 4.25Å; F178-L341 HydrophobicContact CZ-CB 4.11Å; F178-L341 WeakPolarHBondContact CZ-O 3.28Å
179	E	96.5	Very high	80.7	Confident	47 Å²	47	67.5 Å²	67.5	22%	0.22	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	109	173.1	-58.5	-72.7	-174.9	0	0	106.7	R162 I177 D181 E182 I183	R162-E179 WeakPolarHBondContact CG-OE2 3.31Å; R162-E179 IonicContact CZ-OE1 2.71Å; R162-E179 IonicContact CZ-OE2 3.9Å; R162-E179 VanDerWaalsContact NE-CD 3.28Å; R162-E179 IonicContact NE-OE1 3.96Å; R162-E179 PolarHBondContact NE-OE1 2.89Å; R162-E179 IonicContact NE-OE2 2.77Å; R162-E179 PolarHBondContact NE-OE2 2.98Å; R162-E179 IonicContact NH2-OE1 3.66Å; R162-E179 PolarHBondContact NH2-OE1 2.92Å; R162-E179 IonicContact NH2-OE2 2.77Å; I177-E179 HydrophobicContact CG2-CG 4.31Å; E179-D181 WeakPolarHBondContact CB-OD1 3.48Å; E179-D181 PolarHBondContact O-N 3.1Å; E179-E182 HydrophobicContact CB-CB 4.32Å; E179-E182 HydrophobicContact CB-CG 3.95Å; E179-E182 PolarHBondContact O-N 3.36Å; E179-E182 VanDerWaalsContact O-N 3.1Å; E179-I183 PolarHBondContact O-N 2.62Å
180	M	95	Very high	78.5	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-67.2	-28.6	-171.8	-66.4	-63.6	124.7	0	0	112.1	C161 V163 F178 E182 I183 V184 P308 V310 L326 E332 F334	C161-M180 HydrophobicContact CB-CB 4.43Å; C161-M180 VanDerWaalsContact O-CB 3.25Å; C161-M180 WeakPolarHBondContact O-CB 3.2Å; C161-M180 VanDerWaalsContact O-CG 3.29Å; C161-M180 WeakPolarHBondContact O-CG 3.07Å; C161-M180 PolarHBondContact O-N 3.37Å; V163-M180 HydrophobicContact CB-CE 3.64Å; V163-M180 HydrophobicContact CG2-CE 3.46Å; V163-M180 VanDerWaalsContact CG2-CE 3.46Å; V163-M180 HydrophobicContact CG2-SD 4.35Å; F178-M180 HydrophobicContact CB-CE 3.39Å; F178-M180 HydrophobicContact CG-CE 4.46Å; M180-E182 PolarHBondContact O-N 2.93Å; M180-I183 HydrophobicContact CE-CD1 4.01Å; M180-I183 PolarHBondContact O-N 2.61Å; M180-I183 HydrophobicContact SD-CD1 4.47Å; M180-V184 WeakPolarHBondContact O-CB 3.38Å; M180-V184 VanDerWaalsContact O-CG2 3.3Å; M180-V184 WeakPolarHBondContact O-CG2 3.43Å; M180-V184 PolarHBondContact O-N 3.32Å; M180-P308 HydrophobicContact CB-CB 3.92Å; M180-P308 HydrophobicContact CB-CG 3.83Å; M180-V310 HydrophobicContact CG-CG2 3.87Å; M180-L326 HydrophobicContact CB-CD1 4.42Å; M180-L326 HydrophobicContact CG-CD1 4.42Å; M180-L326 HydrophobicContact CG-CD2 4.06Å; M180-L326 HydrophobicContact SD-CD1 4.25Å; M180-L326 HydrophobicContact SD-CD2 4.26Å; M180-E332 HydrophobicContact SD-CB 4.21Å; M180-E332 HydrophobicContact SD-CG 3.86Å; M180-F334 HydrophobicContact CE-CE1 4.28Å; M180-F334 HydrophobicContact CE-CE2 4.34Å; M180-F334 HydrophobicContact CE-CZ 3.5Å; M180-F334 HydrophobicContact SD-CZ 4.26Å
181	D	89.6	Confident	76.6	Confident	58 Å²	58	73 Å²	73	31%	0.31	41%	0.408	S	S	.	.	H	α-helix	trans	-66.8	-21.3	173.4	59.4	-35.5	0	0	0	113.9	E179 W299 P308	E179-D181 WeakPolarHBondContact CB-OD1 3.48Å; E179-D181 PolarHBondContact O-N 3.1Å; D181-W299 HydrophobicContact CB-CH2 4.49Å; D181-W299 HydrophobicContact CB-CZ2 3.85Å; D181-P308 HydrophobicContact CB-CG 4.22Å
182	E	88.6	Confident	74.7	Confident	151 Å²	151	76.6 Å²	76.6	71%	0.706	42%	0.417	S	S	*	.	H	α-helix	trans	-86.8	-22.3	171.8	-61.7	-172.8	169.8	0	0	112.8	E179 M180	E179-E182 HydrophobicContact CB-CB 4.32Å; E179-E182 HydrophobicContact CB-CG 3.95Å; E179-E182 PolarHBondContact O-N 3.36Å; E179-E182 VanDerWaalsContact O-N 3.1Å; M180-E182 PolarHBondContact O-N 2.93Å
183	I	85.3	Confident	72.8	Confident	35 Å²	35	77.1 Å²	77.1	18%	0.179	41%	0.409	C	S	.	.	H	α-helix	trans	-90.6	-44.6	-177.8	-67.5	173.1	0	0	0	111.3	F178 E179 M180 E185 E332 F334 H343	F178-I183 HydrophobicContact CB-CD1 3.83Å; F178-I183 HydrophobicContact CD1-CD1 4.02Å; F178-I183 HydrophobicContact CG-CD1 4.34Å; E179-I183 PolarHBondContact O-N 2.62Å; M180-I183 HydrophobicContact CE-CD1 4.01Å; M180-I183 PolarHBondContact O-N 2.61Å; M180-I183 HydrophobicContact SD-CD1 4.47Å; I183-E185 PolarHBondContact O-N 3.41Å; I183-E332 HydrophobicContact CG2-CG 4.39Å; I183-F334 HydrophobicContact CD1-CE1 4.12Å; I183-F334 HydrophobicContact CD1-CZ 4.41Å; I183-H343 VanDerWaalsContact CG2-CD2 3.43Å; I183-H343 WeakPolarHBondContact CG2-CD2 3.3Å; I183-H343 WeakPolarHBondContact CG2-NE2 3.33Å
184	V	80.7	Confident	70.7	Confident	30 Å²	30	77.4 Å²	77.4	18%	0.182	41%	0.411	C	S	.	.	S	Bend	trans	-69.1	107.2	179.8	177	0	0	0	0	107.9	M180 S186 P308 L326	M180-V184 WeakPolarHBondContact O-CB 3.38Å; M180-V184 VanDerWaalsContact O-CG2 3.3Å; M180-V184 WeakPolarHBondContact O-CG2 3.43Å; M180-V184 PolarHBondContact O-N 3.32Å; V184-S186 PolarHBondContact O-N 2.98Å; V184-P308 HydrophobicContact CG2-CB 3.93Å; V184-P308 HydrophobicContact CG2-CG 4.4Å; V184-L326 HydrophobicContact CG2-CD1 3.82Å
185	E	66.2	Low	68.4	Low	109 Å²	109	80.7 Å²	80.7	51%	0.509	42%	0.424	S	S	.	.			trans	-57.4	130.8	173.6	-66	-174.7	178.9	0	0	109.1	I183	I183-E185 PolarHBondContact O-N 3.41Å
186	S	55	Low	65.8	Low	42 Å²	42	83.8 Å²	83.8	29%	0.294	44%	0.443	S	S	.	.			trans	-61.8	140.2	175	91.1	0	0	0	0	108.6	V184 E188 E189 F190	V184-S186 PolarHBondContact O-N 2.98Å; S186-E188 PolarHBondContact O-N 2.92Å; S186-E188 PolarHBondContact OG-N 3.06Å; S186-E189 PolarHBondContact O-N 2.95Å; S186-E189 PolarHBondContact OG-N 3.18Å; S186-F190 PolarHBondContact O-N 2.86Å
187	P	50	Low	63	Low	92 Å²	92	87.8 Å²	87.8	60%	0.597	47%	0.465	S	S	*	.	H	α-helix	trans	-53.1	-25.7	175.4	-27.4	34	0	0	0	113.1	L191	P187-L191 WeakPolarHBondContact O-CB 3.35Å; P187-L191 WeakPolarHBondContact O-CG 3.49Å; P187-L191 PolarHBondContact O-N 2.89Å
188	E	50	Low	60.1	Low	125 Å²	125	88.9 Å²	88.9	58%	0.584	48%	0.48	S	S	*	.	H	α-helix	trans	-70.5	-33.8	176.1	-62.9	-171.9	175	0	0	113.3	S186 Q192	S186-E188 PolarHBondContact O-N 2.92Å; S186-E188 PolarHBondContact OG-N 3.06Å; E188-Q192 VanDerWaalsContact O-CB 3.28Å; E188-Q192 WeakPolarHBondContact O-CB 3.41Å; E188-Q192 WeakPolarHBondContact O-CG 3.48Å; E188-Q192 PolarHBondContact O-N 2.81Å; E188-Q192 PolarHBondContact O-NE2 2.59Å
189	E	51.6	Low	57.1	Low	121 Å²	121	93.9 Å²	93.9	57%	0.565	51%	0.508	S	S	*	.	H	α-helix	trans	-73.8	-36.5	174.9	-72.9	-173.3	160	0	0	111.1	S186 Q192 S193	S186-E189 PolarHBondContact O-N 2.95Å; S186-E189 PolarHBondContact OG-N 3.18Å; E189-Q192 PolarHBondContact O-N 2.74Å; E189-S193 VanDerWaalsContact O-CB 3.28Å; E189-S193 WeakPolarHBondContact O-CB 3.45Å; E189-S193 PolarHBondContact O-N 2.91Å; E189-S193 PolarHBondContact O-OG 3.37Å
190	F	48.7	Very low	53.8	Low	117 Å²	117	103.8 Å²	103.8	51%	0.513	54%	0.543	S	S	.	.	H	α-helix	trans	-63.1	-44.7	170	-175.8	-101	0	0	0	111.7	S186 Q192 S193 L194	S186-F190 PolarHBondContact O-N 2.86Å; F190-Q192 VanDerWaalsContact C-N 3.3Å; F190-Q192 PolarHBondContact O-N 2.87Å; F190-S193 PolarHBondContact O-N 3Å; F190-S193 PolarHBondContact O-OG 2.84Å; F190-L194 WeakPolarHBondContact O-CG 3.5Å; F190-L194 PolarHBondContact O-N 2.87Å
191	L	45.9	Very low	50.4	Low	114 Å²	114	114 Å²	114	60%	0.597	58%	0.582	S	S	*	*	H	α-helix	trans	-66.5	-30	175.7	-72.4	173.2	0	0	0	113	P187 L194	P187-L191 WeakPolarHBondContact O-CB 3.35Å; P187-L191 WeakPolarHBondContact O-CG 3.49Å; P187-L191 PolarHBondContact O-N 2.89Å; L191-L194 HydrophobicContact CD2-CD1 3.97Å
192	Q	44.1	Very low	47.4	Very low	147 Å²	147	120.7 Å²	120.7	69%	0.687	61%	0.611	S	S	*	*	H	α-helix	trans	-81.4	-23.9	175.6	-74.6	172	43.8	0	0	113.3	E188 E189 F190	E188-Q192 VanDerWaalsContact O-CB 3.28Å; E188-Q192 WeakPolarHBondContact O-CB 3.41Å; E188-Q192 WeakPolarHBondContact O-CG 3.48Å; E188-Q192 PolarHBondContact O-N 2.81Å; E188-Q192 PolarHBondContact O-NE2 2.59Å; E189-Q192 PolarHBondContact O-N 2.74Å; F190-Q192 VanDerWaalsContact C-N 3.3Å; F190-Q192 PolarHBondContact O-N 2.87Å
193	S	40.6	Very low	44.5	Very low	81 Å²	81	117.1 Å²	117.1	57%	0.566	62%	0.615	S	S	*	*	H	α-helix	trans	-84	-15.2	176.7	73.1	0	0	0	0	113.1	E189 F190	E189-S193 VanDerWaalsContact O-CB 3.28Å; E189-S193 WeakPolarHBondContact O-CB 3.45Å; E189-S193 PolarHBondContact O-N 2.91Å; E189-S193 PolarHBondContact O-OG 3.37Å; F190-S193 PolarHBondContact O-N 3Å; F190-S193 PolarHBondContact O-OG 2.84Å
194	L	36.7	Very low	41.6	Very low	83 Å²	83	120.6 Å²	120.6	44%	0.435	64%	0.642	S	S	.	*	S	Bend	trans	-57	132.3	168	-72	171.2	0	0	0	109.8	F190 L191 T196	F190-L194 WeakPolarHBondContact O-CG 3.5Å; F190-L194 PolarHBondContact O-N 2.87Å; L191-L194 HydrophobicContact CD2-CD1 3.97Å; L194-T196 PolarHBondContact O-N 3.16Å
195	P	33.5	Very low	38.9	Very low	114 Å²	114	123.8 Å²	123.8	74%	0.74	67%	0.666	S	S	*	*			trans	-54.5	121.1	174.1	-21.5	30.8	0	0	0	109.2	D197	P195-D197 PolarHBondContact O-N 2.85Å
196	T	37.1	Very low	37	Very low	137 Å²	137	124.8 Å²	124.8	84%	0.84	68%	0.679	S	S	*	*			trans	-71.1	66.5	167.7	59.2	0	0	0	0	108.4	L194 S198	L194-T196 PolarHBondContact O-N 3.16Å; T196-S198 PolarHBondContact O-N 3.32Å; T196-S198 VanDerWaalsContact O-N 3.1Å
197	D	35.6	Very low	35.7	Very low	136 Å²	136	128.2 Å²	128.2	73%	0.727	70%	0.703	S	S	*	*			trans	-82.6	95.2	176	-138.2	-2.2	0	0	0	107.9	P195 D199	P195-D197 PolarHBondContact O-N 2.85Å; D197-D199 PolarHBondContact O-N 2.83Å
198	S	35.3	Very low	34.7	Very low	103 Å²	103	128 Å²	128	72%	0.72	70%	0.704	S	S	*	*			trans	-66.9	75.3	174.5	54.2	0	0	0	0	110.1	T196	T196-S198 PolarHBondContact O-N 3.32Å; T196-S198 VanDerWaalsContact O-N 3.1Å
199	D	32.2	Very low	33.6	Very low	129 Å²	129	129.1 Å²	129.1	69%	0.69	71%	0.714	S	S	*	*			trans	-154.4	20.5	170.1	-106.1	-13.2	0	0	0	117.6	D197 R201	D197-D199 PolarHBondContact O-N 2.83Å; D199-R201 PolarHBondContact O-N 3.17Å
200	W	28.7	Very low	32.5	Very low	256 Å²	256	129.6 Å²	129.6	97%	0.97	72%	0.72	S	S	*	*			trans	-94.6	71.4	162	-68.2	103.2	0	0	0	111.4	H202	W200-H202 PolarHBondContact O-N 3.04Å
201	R	23.7	Very low	31.4	Very low	215 Å²	215	130.5 Å²	130.5	81%	0.811	73%	0.731	S	S	*	*			trans	-73.8	106.7	154.7	-72.7	-177.1	175.5	-171.4	0.5	108.1	D199	D199-R201 PolarHBondContact O-N 3.17Å
202	H	26.5	Very low	30.4	Very low	198 Å²	198	130.6 Å²	130.6	92%	0.917	74%	0.736	S	S	*	*			trans	170.7	127.2	136.6	-94.3	-64.1	0	0	0	109.6	W200	W200-H202 PolarHBondContact O-N 3.04Å
203	G	26.1	Very low	29.5	Very low	76 Å²	76	131.6 Å²	131.6	78%	0.784	74%	0.74	S	S	*	*			trans	141	69.6	166.2	0	0	0	0	0	114
204	S	25	Very low	28.8	Very low	108 Å²	108	134.3 Å²	134.3	76%	0.755	75%	0.747	S	S	*	*			trans	-51.1	142.4	163.5	166	0	0	0	0	111.8
205	S	25.3	Very low	28.2	Very low	97 Å²	97	136.7 Å²	136.7	68%	0.678	76%	0.761	S	S	*	*			trans	67.8	126.4	150.6	68.2	0	0	0	0	116.4
206	T	26.2	Very low	28	Very low	129 Å²	129	140.9 Å²	140.9	79%	0.791	76%	0.763	S	S	*	*			cis	-156.5	152.8	34.9	40.6	0	0	0	0	109.2	S208	T206-S208 PolarHBondContact O-N 2.79Å
207	S	26.9	Very low	27.6	Very low	114 Å²	114	141.2 Å²	141.2	80%	0.797	76%	0.759	S	S	*	*			trans	-62.2	123.2	169.5	57.9	0	0	0	0	111.9
208	S	29.6	Very low	27	Very low	89 Å²	89	142 Å²	142	62%	0.622	76%	0.763	S	S	*	*			trans	-144.3	92.9	144	41.4	0	0	0	0	105.5	T206 D210	T206-S208 PolarHBondContact O-N 2.79Å; S208-D210 PolarHBondContact O-N 3.38Å
209	N	27	Very low	26.8	Very low	147 Å²	147	140.6 Å²	140.6	79%	0.786	75%	0.754	S	S	*	*			trans	-64.7	78.2	158.9	-77.6	-11.2	0	0	0	106.4	N211	N209-N211 PolarHBondContact O-N 3.33Å; N209-N211 VanDerWaalsContact O-N 3.08Å
210	D	27.4	Very low	26.6	Very low	131 Å²	131	141.4 Å²	141.4	70%	0.701	76%	0.758	S	S	*	*			trans	-78.7	82.9	158	-73.6	-15.4	0	0	0	104.9	S208 V212	S208-D210 PolarHBondContact O-N 3.38Å; D210-V212 HydrophobicContact CB-CG2 4.44Å; D210-V212 PolarHBondContact O-N 2.67Å
211	N	26.7	Very low	26.7	Very low	137 Å²	137	135.2 Å²	135.2	73%	0.733	74%	0.744	S	S	*	*			trans	-61.3	88.8	155.2	-70.2	-19.3	0	0	0	104.9	N209 E213	N209-N211 PolarHBondContact O-N 3.33Å; N209-N211 VanDerWaalsContact O-N 3.08Å; N211-E213 VanDerWaalsContact C-N 3.26Å; N211-E213 PolarHBondContact O-N 3.09Å
212	V	25.4	Very low	27.2	Very low	116 Å²	116	131.6 Å²	131.6	70%	0.703	75%	0.746	S	S	*	*			trans	-66.4	99	166.6	178.4	0	0	0	0	104.5	D210 I214	D210-V212 HydrophobicContact CB-CG2 4.44Å; D210-V212 PolarHBondContact O-N 2.67Å; V212-I214 VanDerWaalsContact C-N 3.32Å; V212-I214 PolarHBondContact O-N 3.36Å
213	E	23.5	Very low	27.3	Very low	167 Å²	167	126.8 Å²	126.8	78%	0.78	73%	0.727	S	S	*	*			trans	-52.2	104.6	160	-68.7	178.4	162.7	0	0	105.5	N211 D215	N211-E213 VanDerWaalsContact C-N 3.26Å; N211-E213 PolarHBondContact O-N 3.09Å; E213-D215 PolarHBondContact O-N 3.11Å
214	I	26.8	Very low	27.7	Very low	138 Å²	138	131 Å²	131	71%	0.708	72%	0.724	S	S	*	*			trans	-73	93.8	168.7	-60.4	175.4	0	0	0	103.9	V212 Y216	V212-I214 VanDerWaalsContact C-N 3.32Å; V212-I214 PolarHBondContact O-N 3.36Å; I214-Y216 PolarHBondContact O-N 3.28Å
215	D	22.8	Very low	27.7	Very low	134 Å²	134	127.6 Å²	127.6	72%	0.717	71%	0.706	S	S	*	*			trans	-54.3	113.4	163.5	-82.5	-32.7	0	0	0	106.5	E213 D217	E213-D215 PolarHBondContact O-N 3.11Å; D215-D217 VanDerWaalsContact C-N 3.34Å; D215-D217 PolarHBondContact O-N 3Å
216	Y	30.4	Very low	27.8	Very low	202 Å²	202	127.7 Å²	127.7	79%	0.792	71%	0.713	S	S	*	*			trans	-60	107.2	160.6	-74.2	-94.9	0	0	0	105	I214 N218	I214-Y216 PolarHBondContact O-N 3.28Å; Y216-N218 PolarHBondContact O-N 3.43Å
217	D	27.9	Very low	27.7	Very low	143 Å²	143	126.9 Å²	126.9	77%	0.765	71%	0.708	S	S	*	*			trans	-50.6	110	164.1	-88.4	-32.9	0	0	0	106.1	D215 S219	D215-D217 VanDerWaalsContact C-N 3.34Å; D215-D217 PolarHBondContact O-N 3Å; D217-S219 PolarHBondContact O-N 2.78Å
218	N	24.6	Very low	27.7	Very low	152 Å²	152	131 Å²	131	81%	0.813	71%	0.708	S	S	*	*			trans	-66.7	57.4	161.4	-76	-41.8	0	0	0	108	Y216	Y216-N218 PolarHBondContact O-N 3.43Å
219	S	30.5	Very low	27.5	Very low	75 Å²	75	131 Å²	131	52%	0.524	71%	0.713	S	S	.	*			trans	-79.4	111.2	148.8	55.4	0	0	0	0	104.9	D217 D221	D217-S219 PolarHBondContact O-N 2.78Å; S219-D221 PolarHBondContact O-N 2.99Å
220	D	28.4	Very low	27.5	Very low	145 Å²	145	128.7 Å²	128.7	78%	0.775	72%	0.715	S	S	*	*	S	Bend	trans	-58.7	42.9	-179.9	-75.6	-40.3	0	0	0	114.6
221	D	31.1	Very low	27.4	Very low	126 Å²	126	126.1 Å²	126.1	67%	0.674	72%	0.719	S	S	*	*			trans	-114.2	30.3	178.2	-67.2	-24.9	0	0	0	112.2	S219	S219-D221 PolarHBondContact O-N 2.99Å
222	T	33	Very low	27.4	Very low	139 Å²	139	128.3 Å²	128.3	85%	0.853	72%	0.724	S	S	*	*			trans	-114.1	51.6	162	47.8	0	0	0	0	109.8
223	D	29.4	Very low	27.6	Very low	97 Å²	97	127.9 Å²	127.9	52%	0.519	73%	0.727	S	S	.	*			trans	-99.9	71.2	168.4	-158.4	14.8	0	0	0	110.5	G225	D223-G225 VanDerWaalsContact OD1-CA 3.24Å; D223-G225 WeakPolarHBondContact OD1-CA 3.43Å; D223-G225 PolarHBondContact OD1-N 3.19Å
224	F	34.1	Very low	27.7	Very low	164 Å²	164	128.3 Å²	128.3	72%	0.719	73%	0.729	S	S	*	*			trans	-94.2	34	143.5	-90.7	-81.4	0	0	0	108.8	A226	F224-A226 PolarHBondContact O-N 3.06Å
225	G	23.9	Very low	27.8	Very low	37 Å²	37	128.7 Å²	128.7	38%	0.381	73%	0.73	S	S	.	*	S	Bend	trans	-96.7	70.3	-178.6	0	0	0	0	0	111.5	D223 T227	D223-G225 VanDerWaalsContact OD1-CA 3.24Å; D223-G225 WeakPolarHBondContact OD1-CA 3.43Å; D223-G225 PolarHBondContact OD1-N 3.19Å; G225-T227 PolarHBondContact O-N 3.07Å; G225-T227 PolarHBondContact O-OG1 2.9Å
226	A	28.6	Very low	27.6	Very low	99 Å²	99	129.5 Å²	129.5	82%	0.818	73%	0.733	S	S	*	*	S	Bend	trans	10.4	68.3	158.8	0	0	0	0	0	116.7	F224	F224-A226 PolarHBondContact O-N 3.06Å
227	T	23.1	Very low	27.5	Very low	113 Å²	113	123.8 Å²	123.8	69%	0.693	73%	0.728	S	S	*	*			trans	-157.8	55.3	171.5	-23.9	0	0	0	0	114.9	G225	G225-T227 PolarHBondContact O-N 3.07Å; G225-T227 PolarHBondContact O-OG1 2.9Å
228	Y	27.3	Very low	27.3	Very low	200 Å²	200	124.2 Å²	124.2	78%	0.784	73%	0.73	S	S	*	*			trans	-106.6	77.5	154.7	-80.2	-77.5	0	0	0	110.9	A230	Y228-A230 PolarHBondContact O-N 3.09Å; Y228-A230 VanDerWaalsContact O-N 3.14Å
229	A	25.9	Very low	27.2	Very low	90 Å²	90	122.3 Å²	122.3	74%	0.744	73%	0.729	S	S	*	*			trans	-65.6	107.8	161.1	0	0	0	0	0	109.6	G231	A229-G231 PolarHBondContact O-N 2.73Å; A229-G231 VanDerWaalsContact O-N 3.14Å
230	A	27	Very low	27	Very low	98 Å²	98	123.9 Å²	123.9	81%	0.81	74%	0.739	S	S	*	*			trans	25.7	74.9	152.4	0	0	0	0	0	116.3	Y228 H232	Y228-A230 PolarHBondContact O-N 3.09Å; Y228-A230 VanDerWaalsContact O-N 3.14Å; A230-H232 PolarHBondContact O-N 3.44Å
231	G	25.5	Very low	26.9	Very low	77 Å²	77	121.8 Å²	121.8	79%	0.794	74%	0.737	S	S	*	*			trans	-84	100.6	169.4	0	0	0	0	0	111.4	A229 S233	A229-G231 PolarHBondContact O-N 2.73Å; A229-G231 VanDerWaalsContact O-N 3.14Å; G231-S233 PolarHBondContact O-N 3.23Å
232	H	26.5	Very low	26.7	Very low	183 Å²	183	123.9 Å²	123.9	85%	0.847	75%	0.747	S	S	*	*			trans	-41.2	121	173.2	-90.8	-92.2	0	0	0	113.8	A230 Q234	A230-H232 PolarHBondContact O-N 3.44Å; H232-Q234 PolarHBondContact O-N 2.78Å; H232-Q234 VanDerWaalsContact O-N 3.09Å
233	S	28.6	Very low	26.2	Very low	107 Å²	107	122.1 Å²	122.1	75%	0.748	74%	0.74	S	S	*	*			trans	-62.3	103.8	164.9	38.8	0	0	0	0	110.6	G231 I235	G231-S233 PolarHBondContact O-N 3.23Å; S233-I235 PolarHBondContact O-N 2.66Å; S233-I235 VanDerWaalsContact O-N 3.1Å
234	Q	26.4	Very low	26.2	Very low	176 Å²	176	122.7 Å²	122.7	82%	0.822	75%	0.749	S	S	*	*			trans	-75.7	90.8	164.5	-82.1	-171	-6.8	0	0	109.1	H232 I236	H232-Q234 PolarHBondContact O-N 2.78Å; H232-Q234 VanDerWaalsContact O-N 3.09Å; Q234-I236 PolarHBondContact O-N 3.36Å; Q234-I236 VanDerWaalsContact O-N 3.11Å
235	I	28.4	Very low	25.7	Very low	145 Å²	145	119.9 Å²	119.9	74%	0.744	75%	0.75	S	S	*	*			trans	-70.3	101.5	161.2	-62.8	175.7	0	0	0	107.1	S233 A237	S233-I235 PolarHBondContact O-N 2.66Å; S233-I235 VanDerWaalsContact O-N 3.1Å; I235-A237 HydrophobicContact CG2-CB 4.15Å; I235-A237 PolarHBondContact O-N 3.04Å
236	I	19.8	Very low	25.9	Very low	152 Å²	152	123.8 Å²	123.8	78%	0.779	77%	0.771	S	S	*	*			trans	-74.5	102.5	160.8	-59.8	177.5	0	0	0	106.2	Q234	Q234-I236 PolarHBondContact O-N 3.36Å; Q234-I236 VanDerWaalsContact O-N 3.11Å
237	A	27.4	Very low	25.7	Very low	82 Å²	82	122.7 Å²	122.7	68%	0.678	77%	0.769	S	S	*	*			trans	-126.9	117.5	162.3	0	0	0	0	0	108.6	I235	I235-A237 HydrophobicContact CG2-CB 4.15Å; I235-A237 PolarHBondContact O-N 3.04Å
238	D	23.5	Very low	25.9	Very low	151 Å²	151	125.4 Å²	125.4	81%	0.807	78%	0.778	S	S	*	*			trans	-51.9	142.9	-179.7	-91.4	-39.8	0	0	0	113.5	S240	D238-S240 PolarHBondContact O-N 3.42Å
239	S	22.2	Very low	25.6	Very low	112 Å²	112	119 Å²	119	78%	0.783	77%	0.772	S	S	*	*			trans	-47.5	123.3	166.8	48.7	0	0	0	0	114
240	S	27.7	Very low	25.8	Very low	108 Å²	108	120 Å²	120	76%	0.755	77%	0.774	S	S	*	*			trans	-150	100.4	137.5	47.8	0	0	0	0	110.8	D238	D238-S240 PolarHBondContact O-N 3.42Å
241	S	24.6	Very low	25.5	Very low	102 Å²	102	124.7 Å²	124.7	71%	0.713	78%	0.779	S	S	*	*			trans	12.3	124.6	140.8	56.5	0	0	0	0	118.8
242	L	27.5	Very low	25.7	Very low	169 Å²	169	126.9 Å²	126.9	89%	0.885	78%	0.783	S	S	*	*				176.2	108.8	113	-91.4	153.9	0	0	0	111.4
243	S	22.5	Very low	25.4	Very low	102 Å²	102	129.4 Å²	129.4	71%	0.713	79%	0.785	S	S	*	*			trans	-66.8	168.3	146.2	46.2	0	0	0	0	110.4
244	P	29.7	Very low	25.5	Very low	109 Å²	109	129.7 Å²	129.7	71%	0.708	79%	0.787	S	S	*	*			cis	-150.2	169.6	26.7	41.7	-20.1	0	0	0	119
245	S	24	Very low	25.3	Very low	105 Å²	105	129.1 Å²	129.1	73%	0.734	78%	0.784	S	S	*	*			trans	81.3	146.3	133.5	69.5	0	0	0	0	123.7
246	S	28.7	Very low	25.2	Very low	120 Å²	120	129.9 Å²	129.9	84%	0.839	78%	0.784	S	S	*	*			trans	83.9	120.1	167.6	75.3	0	0	0	0	115.7
247	G	22.9	Very low	25.4	Very low	75 Å²	75	127.6 Å²	127.6	77%	0.773	78%	0.782	S	S	*	*			cis	107.3	67.9	5.8	0	0	0	0	0	112.9
248	I	27.4	Very low	25.2	Very low	170 Å²	170	130 Å²	130	87%	0.872	79%	0.788	S	S	*	*			trans	-160	132	160.4	-52.9	-177.8	0	0	0	104.7
249	G	22	Very low	25.3	Very low	65 Å²	65	130.8 Å²	130.8	67%	0.67	79%	0.791	S	S	*	*			cis	109.2	80	17.4	0	0	0	0	0	111.5
250	S	28.8	Very low	25.4	Very low	112 Å²	112	129.8 Å²	129.8	78%	0.783	78%	0.784	S	S	*	*			trans	171.5	109.4	154.7	34.9	0	0	0	0	108.5
251	E	21.6	Very low	25.4	Very low	196 Å²	196	132.3 Å²	132.3	92%	0.916	79%	0.789	S	S	*	*				55.8	100.5	85	-69.8	-163.1	166.7	0	0	114.4
252	S	29.9	Very low	25.4	Very low	124 Å²	124	134.9 Å²	134.9	87%	0.867	80%	0.795	S	S	*	*			trans	-152.9	133.6	133	56	0	0	0	0	111.1
253	R	20.8	Very low	25.5	Very low	236 Å²	236	135.1 Å²	135.1	89%	0.891	79%	0.791	S	S	*	*			trans	-82.2	147.6	178.7	-72.8	166.7	160	173.2	-7	110.8
254	S	29.7	Very low	25.6	Very low	113 Å²	113	138.4 Å²	138.4	79%	0.79	80%	0.795	S	S	*	*				179.8	108.6	128.6	39.1	0	0	0	0	106.4
255	E	22.7	Very low	25.5	Very low	164 Å²	164	142.3 Å²	142.3	77%	0.766	80%	0.801	S	S	*	*				68.8	118	79.2	-82.2	-169	-178.3	0	0	115
256	H	25.5	Very low	25.4	Very low	161 Å²	161	148.1 Å²	148.1	75%	0.745	81%	0.807	S	S	*	*			trans	109.2	114.9	142	-83.7	-67.8	0	0	0	121.2
257	S	25.6	Very low	25.4	Very low	104 Å²	104	149.7 Å²	149.7	73%	0.727	81%	0.805	S	S	*	*			trans	83.9	100.2	137.4	51.8	0	0	0	0	119.7
258	V	21.7	Very low	25.5	Very low	132 Å²	132	152.1 Å²	152.1	80%	0.8	80%	0.804	S	S	*	*			trans	-59.9	125.1	145	-180	0	0	0	0	109.7
259	L	26.4	Very low	25.5	Very low	167 Å²	167	149.4 Å²	149.4	87%	0.874	80%	0.801	S	S	*	*			trans	-142.5	108.1	147.9	-77.2	-179.6	0	0	0	108.2
260	S	23.8	Very low	25.6	Very low	91 Å²	91	153.2 Å²	153.2	64%	0.636	81%	0.806	S	S	*	*			trans	-70.8	139.6	154.1	49.8	0	0	0	0	108.9
261	D	27.7	Very low	25.8	Very low	161 Å²	161	157 Å²	157	86%	0.861	81%	0.811	S	S	*	*			trans	-164.7	121.2	137.4	-90.8	-24.6	0	0	0	109.3
262	D	24.9	Very low	25.9	Very low	157 Å²	157	152.6 Å²	152.6	84%	0.84	80%	0.801	S	S	*	*			trans	-67.6	129.4	166.4	-71	-53	0	0	0	109.7
263	E	28.9	Very low	25.8	Very low	174 Å²	174	157.9 Å²	157.9	81%	0.813	80%	0.804	S	S	*	*			trans	-138	114.7	160.6	-88.8	-65.4	165	0	0	110.5	F265	E263-F265 PolarHBondContact O-N 3.38Å
264	H	25.7	Very low	25.9	Very low	170 Å²	170	151.6 Å²	151.6	79%	0.787	80%	0.796	S	S	*	*			trans	-66.4	114.1	176.4	-97.6	-86	0	0	0	111.1	R266	H264-R266 PolarHBondContact O-N 3.42Å
265	F	26.2	Very low	25.7	Very low	192 Å²	192	157.7 Å²	157.7	84%	0.842	80%	0.802	S	S	*	*			trans	-81.4	102	170.6	-119.3	-95.2	0	0	0	111.2	E263 I267	E263-F265 PolarHBondContact O-N 3.38Å; F265-I267 HydrophobicContact CD1-CG1 4.26Å
266	R	22.5	Very low	25.8	Very low	226 Å²	226	154.9 Å²	154.9	85%	0.853	80%	0.8	S	S	*	*			trans	-89.6	121.4	163.6	-73	-177.8	174.3	169.5	0	109.1	H264	H264-R266 PolarHBondContact O-N 3.42Å
267	I	28.9	Very low	25.9	Very low	154 Å²	154	159.2 Å²	159.2	79%	0.79	81%	0.81	S	S	*	*			trans	-100.8	108.8	170.4	-61.2	177.4	0	0	0	108.1	F265	F265-I267 HydrophobicContact CD1-CG1 4.26Å
268	T	25.7	Very low	25.7	Very low	125 Å²	125	162.9 Å²	162.9	77%	0.767	82%	0.815	S	S	*	*			trans	-83	131.9	172	49.5	0	0	0	0	110.3
269	S	26.2	Very low	25.9	Very low	114 Å²	114	162.6 Å²	162.6	80%	0.797	81%	0.814	S	S	*	*			trans	-84	121.3	170	54	0	0	0	0	110.7
270	D	24.1	Very low	25.8	Very low	144 Å²	144	163.2 Å²	163.2	77%	0.77	81%	0.812	S	S	*	*			trans	-153.3	113	162.8	-117.5	-13.8	0	0	0	108.3
271	H	32.9	Very low	25.7	Very low	192 Å²	192	169.8 Å²	169.8	89%	0.889	82%	0.823	S	S	*	*			trans	-159.5	95	148.2	-88.2	-38.6	0	0	0	110.1
272	S	24.8	Very low	25.7	Very low	103 Å²	103	171.4 Å²	171.4	72%	0.72	83%	0.825	S	S	*	*			trans	-58.6	134.1	158.2	54.6	0	0	0	0	111.9
273	Y	26.3	Very low	25.5	Very low	236 Å²	236	172.6 Å²	172.6	93%	0.925	83%	0.826	S	S	*	*			trans	-138.5	115.2	148.8	-109.2	-84	0	0	0	110.4
274	S	24.2	Very low	25.4	Very low	103 Å²	103	173.1 Å²	173.1	72%	0.72	83%	0.828	S	S	*	*			trans	-84	143.2	168.3	81	0	0	0	0	110.2
275	R	25.4	Very low	25.4	Very low	241 Å²	241	170.5 Å²	170.5	91%	0.909	83%	0.826	S	S	*	*				-166.1	126	128.8	-111	174.3	-178.4	-178.3	1.7	112.4
276	S	24.1	Very low	25.3	Very low	105 Å²	105	170.7 Å²	170.7	73%	0.734	83%	0.83	S	S	*	*			trans	-41.9	148	167.3	54.7	0	0	0	0	117.3
277	R	27.1	Very low	25.4	Very low	252 Å²	252	166.1 Å²	166.1	95%	0.951	83%	0.826	S	S	*	*				-163.8	131.5	118	-104.1	172.5	-173.8	-171.6	1.4	111.7
278	H	22.6	Very low	25.3	Very low	181 Å²	181	162.9 Å²	162.9	84%	0.838	82%	0.817	S	S	*	*			trans	-64.2	143.3	173.1	-88.8	-83.4	0	0	0	113
279	T	26.1	Very low	25.2	Very low	127 Å²	127	164.7 Å²	164.7	78%	0.779	82%	0.822	S	S	*	*				-169.8	126.1	123.5	38.8	0	0	0	0	111.7
280	E	24.5	Very low	25.1	Very low	179 Å²	179	167.1 Å²	167.1	84%	0.836	82%	0.821	S	S	*	*			trans	54.1	97.5	145.8	-62.8	173.6	173.2	0	0	119.2
281	R	20.6	Very low	25.1	Very low	230 Å²	230	171.8 Å²	171.8	87%	0.868	83%	0.828	S	S	*	*				47.2	87.7	87.2	-73.2	-164.5	-157.3	-119.5	2.9	115.5
282	H	28.3	Very low	24.6	Very low	195 Å²	195	171.3 Å²	171.3	90%	0.903	83%	0.828	S	S	*	*			trans	-136.4	120.8	140.3	-99.6	-80.8	0	0	0	108.3
283	E	20.8	Very low	24.7	Very low	182 Å²	182	170.8 Å²	170.8	85%	0.85	83%	0.825	S	S	*	*			trans	-75.1	117.9	179.7	-68.2	173.7	157.3	0	0	109.8
284	Q	26.7	Very low	24.7	Very low	185 Å²	185	163.9 Å²	163.9	86%	0.864	81%	0.811	S	S	*	*			trans	-135.5	147	160.1	-85.1	-168.4	-5	0	0	108.8
285	P	24.4	Very low	24.9	Very low	115 Å²	115	165.7 Å²	165.7	75%	0.747	81%	0.812	S	S	*	*			trans	-76.1	146.4	-148.8	29.2	-34	0	0	0	113.2	V287	P285-V287 PolarHBondContact O-N 3.37Å
286	H	24.6	Very low	25.4	Very low	196 Å²	196	161.9 Å²	161.9	91%	0.907	80%	0.804	S	S	*	*			trans	-53.1	99.2	176.5	-69.4	-85.4	0	0	0	112.3	S288	H286-S288 PolarHBondContact O-N 2.94Å
287	V	26	Very low	25.8	Very low	130 Å²	130	161.5 Å²	161.5	79%	0.788	80%	0.798	S	S	*	*			trans	-77.8	102	155.8	-176.1	0	0	0	0	105.8	P285 N289	P285-V287 PolarHBondContact O-N 3.37Å; V287-N289 PolarHBondContact O-N 2.88Å; V287-N289 VanDerWaalsContact O-N 3.15Å
288	S	25.9	Very low	25.9	Very low	86 Å²	86	155.2 Å²	155.2	60%	0.601	79%	0.787	S	S	*	*			trans	-59.5	115.5	171.3	50.8	0	0	0	0	108.6	H286 Q290	H286-S288 PolarHBondContact O-N 2.94Å; S288-Q290 PolarHBondContact O-N 2.98Å
289	N	24	Very low	26.5	Very low	162 Å²	162	153.3 Å²	153.3	87%	0.866	77%	0.773	S	S	*	*			trans	-63.3	79.6	164.6	-80.2	-21.7	0	0	0	108.6	V287 R291	V287-N289 PolarHBondContact O-N 2.88Å; V287-N289 VanDerWaalsContact O-N 3.15Å; N289-R291 VanDerWaalsContact C-N 3.3Å; N289-R291 PolarHBondContact O-N 3.18Å; N289-R291 VanDerWaalsContact O-N 3.08Å
290	Q	24.5	Very low	26.7	Very low	165 Å²	165	158.5 Å²	158.5	77%	0.771	78%	0.778	S	S	*	*			trans	-70.3	100.4	157.1	-74.8	-171.4	4.5	0	0	105.6	S288 M292	S288-Q290 PolarHBondContact O-N 2.98Å; Q290-M292 VanDerWaalsContact C-N 3.3Å; Q290-M292 PolarHBondContact O-N 3.4Å
291	R	22.3	Very low	27.1	Very low	242 Å²	242	156.1 Å²	156.1	91%	0.913	78%	0.781	S	S	*	*			trans	-47.9	101.6	158.9	-179.2	175.3	178.1	175.9	-1.6	106	N289 S293	N289-R291 VanDerWaalsContact C-N 3.3Å; N289-R291 PolarHBondContact O-N 3.18Å; N289-R291 VanDerWaalsContact O-N 3.08Å; R291-S293 PolarHBondContact O-N 2.94Å
292	M	22.4	Very low	28	Very low	183 Å²	183	148.6 Å²	148.6	90%	0.901	78%	0.775	S	S	*	*			trans	-59.1	108.7	170.9	-76.2	-172.7	172.7	0	0	105.6	Q290 S294	Q290-M292 VanDerWaalsContact C-N 3.3Å; Q290-M292 PolarHBondContact O-N 3.4Å; M292-S294 PolarHBondContact O-N 3.02Å
293	S	27.4	Very low	28.6	Very low	92 Å²	92	146 Å²	146	64%	0.643	77%	0.767	S	S	*	*			trans	-56.5	125.1	163.2	179.8	0	0	0	0	105.6	R291 N295	R291-S293 PolarHBondContact O-N 2.94Å; S293-N295 PolarHBondContact O-N 2.77Å
294	S	27	Very low	29.8	Very low	91 Å²	91	143.4 Å²	143.4	64%	0.636	77%	0.766	S	S	*	*			trans	-50.8	111.4	163.2	166.3	0	0	0	0	105.7	M292 H296	M292-S294 PolarHBondContact O-N 3.02Å; S294-H296 PolarHBondContact O-N 2.96Å
295	N	28.6	Very low	31.4	Very low	140 Å²	140	139.3 Å²	139.3	75%	0.749	75%	0.749	S	S	*	*			trans	-71.2	96.9	168	-76.5	-26.7	0	0	0	103.5	S293 V297	S293-N295 PolarHBondContact O-N 2.77Å; N295-V297 VanDerWaalsContact C-N 3.34Å; N295-V297 PolarHBondContact O-N 2.78Å
296	H	34.6	Very low	34.1	Very low	161 Å²	161	137.6 Å²	137.6	75%	0.745	73%	0.734	S	S	*	*			trans	-50	109.7	159	-121.8	-80.1	0	0	0	105.3	S294 T298	S294-H296 PolarHBondContact O-N 2.96Å; H296-T298 PolarHBondContact O-N 2.91Å
297	V	32.9	Very low	37.1	Very low	98 Å²	98	130.8 Å²	130.8	59%	0.594	71%	0.707	S	S	*	*			trans	-64.6	95.1	173.1	175.3	0	0	0	0	105.1	N295 W299	N295-V297 VanDerWaalsContact C-N 3.34Å; N295-V297 PolarHBondContact O-N 2.78Å; V297-W299 PolarHBondContact O-N 3.39Å
298	T	29.9	Very low	40.4	Very low	119 Å²	119	125 Å²	125	73%	0.73	67%	0.672	S	S	*	*			trans	-73.9	100.3	170.8	53.3	0	0	0	0	105.9	H296 R300	H296-T298 PolarHBondContact O-N 2.91Å; T298-R300 PolarHBondContact O-N 3.29Å; T298-R300 VanDerWaalsContact O-N 3.09Å
299	W	35.8	Very low	43.8	Very low	141 Å²	141	123 Å²	123	53%	0.534	65%	0.654	S	S	.	*			trans	-41.5	115.7	174.6	-63.1	102	0	0	0	110.1	D181 V297 S301 I305	D181-W299 HydrophobicContact CB-CH2 4.49Å; D181-W299 HydrophobicContact CB-CZ2 3.85Å; V297-W299 PolarHBondContact O-N 3.39Å; W299-S301 PolarHBondContact O-N 3Å; W299-I305 HydrophobicContact CE3-CD1 4.12Å; W299-I305 HydrophobicContact CZ3-CD1 3.94Å; W299-I305 HydrophobicContact CZ3-CG2 4.5Å
300	R	29.9	Very low	47.4	Very low	237 Å²	237	115.2 Å²	115.2	89%	0.894	61%	0.612	S	S	*	*			trans	-63.7	121.4	-179.3	-75.2	-174.4	175.3	-156.1	1.6	108.4	T298 G302	T298-R300 PolarHBondContact O-N 3.29Å; T298-R300 VanDerWaalsContact O-N 3.09Å; R300-G302 PolarHBondContact O-N 3.34Å
301	S	33.2	Very low	50.9	Low	128 Å²	128	110 Å²	110	90%	0.895	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.8	108.3	171.8	47.1	0	0	0	0	111.2	W299	W299-S301 PolarHBondContact O-N 3Å
302	G	38.7	Very low	54.6	Low	72 Å²	72	99.2 Å²	99.2	74%	0.742	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	176.1	-34.2	174.9	0	0	0	0	0	117.3	R300	R300-G302 PolarHBondContact O-N 3.34Å
303	L	40.5	Very low	58.2	Low	140 Å²	140	90.6 Å²	90.6	73%	0.733	51%	0.507	S	S	*	.	S	Bend	trans	-142.2	132.3	174.7	-80.2	157.5	0	0	0	108.3	I305	L303-I305 VanDerWaalsContact C-N 3.27Å; L303-I305 PolarHBondContact O-N 3.37Å
304	P	46.6	Very low	61.6	Low	128 Å²	128	86.6 Å²	86.6	83%	0.831	48%	0.48	S	S	*	.			trans	-69.7	91.4	169.5	28.1	-29	0	0	0	107.8	N306	P304-N306 PolarHBondContact O-N 3.01Å
305	I	60.9	Low	65	Low	99 Å²	99	83.5 Å²	83.5	51%	0.508	46%	0.458	S	S	.	.			trans	-66.6	125.3	163.8	-63.1	173.8	0	0	0	105.4	W299 L303 P307	W299-I305 HydrophobicContact CE3-CD1 4.12Å; W299-I305 HydrophobicContact CZ3-CD1 3.94Å; W299-I305 HydrophobicContact CZ3-CG2 4.5Å; L303-I305 VanDerWaalsContact C-N 3.27Å; L303-I305 PolarHBondContact O-N 3.37Å; I305-P307 WeakPolarHBondContact O-CD 3.36Å; I305-P307 VanDerWaalsContact O-N 3.11Å
306	N	80	Confident	68.3	Low	79 Å²	79	76.9 Å²	76.9	42%	0.422	42%	0.422	S	S	.	.			trans	-63.3	110.1	178	-160.4	16.5	0	0	0	108.4	P304 E327	P304-N306 PolarHBondContact O-N 3.01Å; N306-E327 WeakPolarHBondContact ND2-CG 3.23Å; N306-E327 PolarHBondContact ND2-O 2.9Å; N306-E327 PolarHBondContact ND2-OE1 3.13Å; N306-E327 WeakPolarHBondContact OD1-CG 3.49Å
307	P	88.8	Confident	71.2	Confident	53 Å²	53	72.7 Å²	72.7	34%	0.344	42%	0.415	S	S	.	.			trans	-62.9	144.9	-176.4	25.8	-32.8	0	0	0	110.3	I305 M309	I305-P307 WeakPolarHBondContact O-CD 3.36Å; I305-P307 VanDerWaalsContact O-N 3.11Å; P307-M309 HydrophobicContact CB-CG 4.28Å; P307-M309 HydrophobicContact CG-CG 4.02Å; P307-M309 HydrophobicContact CG-SD 3.88Å; P307-M309 PolarHBondContact O-N 3.02Å
308	P	94.9	Very high	74.2	Confident	9 Å²	9	69.6 Å²	69.6	6%	0.058	40%	0.399	C	S	.	.			trans	-77	59.6	-177.7	32.1	-35.2	0	0	0	111.9	C161 M180 D181 V184 L326	C161-P308 HydrophobicContact CB-CG 4.35Å; M180-P308 HydrophobicContact CB-CB 3.92Å; M180-P308 HydrophobicContact CB-CG 3.83Å; D181-P308 HydrophobicContact CB-CG 4.22Å; V184-P308 HydrophobicContact CG2-CB 3.93Å; V184-P308 HydrophobicContact CG2-CG 4.4Å; P308-L326 HydrophobicContact CB-CD1 3.92Å
309	M	97.8	Very high	77.3	Confident	43 Å²	43	64 Å²	64	21%	0.212	36%	0.364	C	S	.	.			trans	-64.1	135.5	177.3	-61.8	165.1	80.9	0	0	109.3	L159 P307 L326 E327	L159-M309 HydrophobicContact CB-CE 3.47Å; L159-M309 VanDerWaalsContact CB-CE 3.47Å; L159-M309 HydrophobicContact CD1-CE 3.71Å; L159-M309 HydrophobicContact CD2-CB 4.04Å; L159-M309 HydrophobicContact CD2-CE 3.93Å; L159-M309 HydrophobicContact CG-CE 3.86Å; P307-M309 HydrophobicContact CB-CG 4.28Å; P307-M309 HydrophobicContact CG-CG 4.02Å; P307-M309 HydrophobicContact CG-SD 3.88Å; P307-M309 PolarHBondContact O-N 3.02Å; M309-L326 CarbonylContact O-C 3.57Å; M309-L326 VanDerWaalsContact O-CA 3.3Å; M309-L326 WeakPolarHBondContact O-CA 3.17Å; M309-E327 HydrophobicContact CB-CB 3.91Å; M309-E327 PolarHBondContact O-N 3.07Å
310	V	98.7	Very high	80.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	118.3	-178.2	-172.2	0	0	0	0	108.9	S142 G158 V163 M180 V313 A324 L326	S142-V310 PolarHBondContact OG-O 2.9Å; G158-V310 PolarHBondContact O-N 3.04Å; V163-V310 HydrophobicContact CG2-CG1 4.22Å; V163-V310 HydrophobicContact CG2-CG2 3.91Å; M180-V310 HydrophobicContact CG-CG2 3.87Å; V310-V313 HydrophobicContact CG1-CG1 3.77Å; V310-A324 HydrophobicContact CG1-CB 4.07Å; V310-L326 HydrophobicContact CB-CD2 4.14Å; V310-L326 HydrophobicContact CG1-CD2 4.34Å; V310-L326 HydrophobicContact CG2-CD2 3.64Å
311	H	98.6	Very high	83.4	Confident	55 Å²	55	50.6 Å²	50.6	26%	0.255	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-29.8	178.4	-74	-68.1	0	0	0	113.1	S142 G325 E327	S142-H311 PolarHBondContact OG-O 2.91Å; H311-G325 PolarHBondContact N-O 3.31Å; H311-E327 IonicContact CD2-OE2 3.26Å; H311-E327 IonicContact CE1-OE2 3.4Å; H311-E327 IonicContact NE2-OE2 3.65Å; H311-E327 PolarHBondContact NE2-OE2 3.43Å
312	S	98.6	Very high	86.6	Confident	16 Å²	16	44.6 Å²	44.6	11%	0.112	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	143.8	-176.7	-162	0	0	0	0	111.1	A324 G325 S355	S312-A324 WeakPolarHBondContact O-CA 3.27Å; S312-G325 PolarHBondContact O-N 2.8Å; S312-S355 WeakPolarHBondContact CB-O 3.47Å
313	V	98.8	Very high	89.4	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.7	166.5	-54.4	0	0	0	0	110.5	S143 K145 I155 V163 V310 A323 A324	S143-V313 PolarHBondContact OG-N 3Å; K145-V313 HydrophobicContact CB-CG2 4.39Å; K145-V313 HydrophobicContact CG-CG2 3.86Å; K145-V313 WeakPolarHBondContact CG-O 3.18Å; I155-V313 HydrophobicContact CG2-CB 4.44Å; I155-V313 HydrophobicContact CG2-CG2 4.29Å; V163-V313 HydrophobicContact CG2-CG1 4.44Å; V310-V313 HydrophobicContact CG1-CG1 3.77Å; V313-A323 VanDerWaalsContact CA-O 3.26Å; V313-A323 WeakPolarHBondContact CA-O 3.09Å; V313-A324 HydrophobicContact CG1-CB 4.35Å
314	A	98.7	Very high	92.2	Very high	9 Å²	9	34.5 Å²	34.5	7%	0.074	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.6	175.2	0	0	0	0	0	110.6	V322 A323 L357 F359	A314-V322 CarbonylContact O-C 3.59Å; A314-V322 VanDerWaalsContact O-CA 3.28Å; A314-V322 WeakPolarHBondContact O-CA 3.26Å; A314-A323 PolarHBondContact N-O 2.92Å; A314-A323 PolarHBondContact O-N 2.83Å; A314-L357 HydrophobicContact CB-CB 3.68Å; A314-F359 HydrophobicContact CB-CD2 3.75Å; A314-F359 HydrophobicContact CB-CE2 3.9Å; A314-F359 WeakPolarHBondContact O-CE2 3.31Å
315	C	98.2	Very high	94.7	Very high	25 Å²	25	28.4 Å²	28.4	17%	0.169	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.6	173.1	-64.9	0	0	0	0	109.3	P148 F321 F359	P148-C315 HydrophobicContact CG-CB 4.4Å; C315-F321 WeakPolarHBondContact CA-O 3.24Å; C315-F359 VanDerWaalsContact C-CD2 3.42Å
316	S	97.7	Very high	96.5	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.007	14%	0.142	C	C	.	.			trans	-72.3	168	172.5	81.5	0	0	0	0	111.9	S318 G319 F321 D361 D362	S316-S318 VanDerWaalsContact C-N 3.34Å; S316-S318 PolarHBondContact O-N 2.78Å; S316-S318 PolarHBondContact OG-OG 3.41Å; S316-G319 WeakPolarHBondContact O-CA 3.12Å; S316-G319 PolarHBondContact O-N 2.78Å; S316-F321 PolarHBondContact N-O 2.78Å; S316-F321 PolarHBondContact OG-N 3.3Å; S316-D361 WeakPolarHBondContact CB-O 3.19Å; S316-D362 WeakPolarHBondContact CB-OD1 3.37Å; S316-D362 PolarHBondContact OG-OD1 3.27Å
317	A	95.5	Very high	97.3	Very high	73 Å²	73	22 Å²	22	60%	0.603	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-35.1	-174.5	0	0	0	0	0	113.7	P148 D361 D362	P148-A317 WeakPolarHBondContact CB-O 3.41Å; A317-D361 PolarHBondContact N-O 3.14Å; A317-D361 VanDerWaalsContact N-O 3.11Å; A317-D362 PolarHBondContact N-OD1 2.78Å
318	S	95.7	Very high	97.5	Very high	34 Å²	34	20.6 Å²	20.6	24%	0.238	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-16.7	171.4	59.5	0	0	0	0	113.4	S316 D320 D362	S316-S318 VanDerWaalsContact C-N 3.34Å; S316-S318 PolarHBondContact O-N 2.78Å; S316-S318 PolarHBondContact OG-OG 3.41Å; S318-D320 PolarHBondContact O-N 3.05Å; S318-D320 WeakPolarHBondContact OG-CB 3.39Å; S318-D320 PolarHBondContact OG-N 3.5Å; S318-D362 WeakPolarHBondContact CB-OD2 3.37Å; S318-D362 PolarHBondContact N-OD1 2.98Å; S318-D362 PolarHBondContact OG-OD1 2.92Å; S318-D362 PolarHBondContact OG-OD2 2.89Å
319	G	96.1	Very high	97.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	72.1	5.2	-166.2	0	0	0	0	0	113.2	R147 S316 F321	R147-G319 PolarHBondContact NE-O 2.93Å; R147-G319 PolarHBondContact NH2-O 2.8Å; S316-G319 WeakPolarHBondContact O-CA 3.12Å; S316-G319 PolarHBondContact O-N 2.78Å; G319-F321 VanDerWaalsContact C-N 3.32Å
320	D	96.5	Very high	97.4	Very high	48 Å²	48	19.9 Å²	19.9	26%	0.257	12%	0.122	S	C	.	.	S	Bend	trans	-75.4	-23.4	-178.4	-69	-20.1	0	0	0	112.3	R150 S318 A335 G336	R150-D320 IonicContact CZ-OD1 3.05Å; R150-D320 IonicContact NH1-OD1 3.61Å; R150-D320 IonicContact NH2-OD1 2.93Å; R150-D320 PolarHBondContact NH2-OD1 3.11Å; S318-D320 PolarHBondContact O-N 3.05Å; S318-D320 WeakPolarHBondContact OG-CB 3.39Å; S318-D320 PolarHBondContact OG-N 3.5Å; D320-A335 CarbonylContact O-C 3.58Å; D320-A335 VanDerWaalsContact O-CA 3.27Å; D320-A335 WeakPolarHBondContact O-CA 3.4Å; D320-G336 PolarHBondContact O-N 3Å
321	F	97.7	Very high	97.4	Very high	50 Å²	50	20 Å²	20	22%	0.219	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	144.8	172.4	-55.1	-84.9	0	0	0	112.4	C315 S316 G319 L333 F334 A335 L344 F359 D362	C315-F321 WeakPolarHBondContact CA-O 3.24Å; S316-F321 PolarHBondContact N-O 2.78Å; S316-F321 PolarHBondContact OG-N 3.3Å; G319-F321 VanDerWaalsContact C-N 3.32Å; F321-L333 HydrophobicContact CB-CD1 4.39Å; F321-F334 VanDerWaalsContact CA-O 3.3Å; F321-F334 WeakPolarHBondContact CA-O 3.21Å; F321-A335 HydrophobicContact CD1-CB 3.91Å; F321-A335 HydrophobicContact CE1-CB 3.94Å; F321-L344 HydrophobicContact CD1-CD2 4.36Å; F321-L344 HydrophobicContact CE1-CD2 4.1Å; F321-F359 HydrophobicContact CB-CE1 3.82Å; F321-F359 HydrophobicContact CB-CZ 3.94Å; F321-D362 HydrophobicContact CD2-CB 4.29Å; F321-D362 HydrophobicContact CE2-CB 4.23Å
322	V	98.5	Very high	97.4	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	138.1	173.2	174.7	0	0	0	0	107.8	I155 A314 F334 L341	I155-V322 HydrophobicContact CD1-CG2 4.47Å; I155-V322 HydrophobicContact CG1-CG1 4.4Å; I155-V322 HydrophobicContact CG1-CG2 4.16Å; I155-V322 HydrophobicContact CG2-CG1 3.83Å; A314-V322 CarbonylContact O-C 3.59Å; A314-V322 VanDerWaalsContact O-CA 3.28Å; A314-V322 WeakPolarHBondContact O-CA 3.26Å; V322-F334 HydrophobicContact CB-CB 4.28Å; V322-F334 HydrophobicContact CG1-CD2 4.46Å; V322-F334 PolarHBondContact N-O 2.92Å; V322-F334 WeakPolarHBondContact O-CD2 3.43Å; V322-F334 PolarHBondContact O-N 2.78Å; V322-L341 HydrophobicContact CB-CD1 4.42Å; V322-L341 HydrophobicContact CG2-CD1 3.75Å; V322-L341 HydrophobicContact CG2-CD2 4.11Å
323	A	98.8	Very high	97.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	145.4	175.2	0	0	0	0	0	110.4	V313 A314 I331 E332 L333 L357 F359 L365	V313-A323 VanDerWaalsContact CA-O 3.26Å; V313-A323 WeakPolarHBondContact CA-O 3.09Å; A314-A323 PolarHBondContact N-O 2.92Å; A314-A323 PolarHBondContact O-N 2.83Å; A323-I331 HydrophobicContact CB-CG2 4.06Å; A323-E332 CarbonylContact C-O 3.16Å; A323-E332 WeakPolarHBondContact CA-O 3.37Å; A323-L333 HydrophobicContact CB-CD1 4.3Å; A323-L357 HydrophobicContact CB-CD1 3.84Å; A323-L357 WeakPolarHBondContact O-CD1 3.47Å; A323-F359 HydrophobicContact CB-CE2 3.79Å; A323-F359 HydrophobicContact CB-CZ 3.82Å; A323-L365 HydrophobicContact CB-CD1 4.01Å; A323-L365 HydrophobicContact CB-CD2 3.66Å
324	A	98.8	Very high	97.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.8	174.8	0	0	0	0	0	110.3	V163 V310 S312 V313 L326 I331 E332 F334	V163-A324 HydrophobicContact CG2-CB 3.63Å; V310-A324 HydrophobicContact CG1-CB 4.07Å; S312-A324 WeakPolarHBondContact O-CA 3.27Å; V313-A324 HydrophobicContact CG1-CB 4.35Å; A324-L326 HydrophobicContact CB-CD2 4.37Å; A324-I331 CarbonylContact O-C 3.59Å; A324-I331 VanDerWaalsContact O-CA 3.27Å; A324-I331 WeakPolarHBondContact O-CA 3.3Å; A324-E332 PolarHBondContact N-O 3.49Å; A324-E332 PolarHBondContact O-N 3.14Å; A324-F334 HydrophobicContact CB-CE2 4.14Å
325	G	98.7	Very high	97.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.8	-178.9	0	0	0	0	0	109.7	H311 S312 V354	H311-G325 PolarHBondContact N-O 3.31Å; S312-G325 PolarHBondContact O-N 2.8Å; G325-V354 CarbonylContact C-O 3.55Å
326	L	98.4	Very high	97.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	153.5	-166.7	-54.1	-175.8	0	0	0	112.9	M180 V184 P308 M309 V310 A324 S328 S329 T330 E332 G353 V354	M180-L326 HydrophobicContact CB-CD1 4.42Å; M180-L326 HydrophobicContact CG-CD1 4.42Å; M180-L326 HydrophobicContact CG-CD2 4.06Å; M180-L326 HydrophobicContact SD-CD1 4.25Å; M180-L326 HydrophobicContact SD-CD2 4.26Å; V184-L326 HydrophobicContact CG2-CD1 3.82Å; P308-L326 HydrophobicContact CB-CD1 3.92Å; M309-L326 CarbonylContact O-C 3.57Å; M309-L326 VanDerWaalsContact O-CA 3.3Å; M309-L326 WeakPolarHBondContact O-CA 3.17Å; V310-L326 HydrophobicContact CB-CD2 4.14Å; V310-L326 HydrophobicContact CG1-CD2 4.34Å; V310-L326 HydrophobicContact CG2-CD2 3.64Å; A324-L326 HydrophobicContact CB-CD2 4.37Å; L326-S328 VanDerWaalsContact CB-OG 3.3Å; L326-S328 WeakPolarHBondContact CB-OG 3.49Å; L326-S328 PolarHBondContact O-N 2.93Å; L326-S329 PolarHBondContact O-N 2.77Å; L326-T330 WeakPolarHBondContact CB-O 3.37Å; L326-T330 WeakPolarHBondContact CD1-OG1 3.41Å; L326-T330 PolarHBondContact N-O 2.92Å; L326-E332 HydrophobicContact CD1-CG 3.58Å; L326-E332 HydrophobicContact CG-CG 4.42Å; L326-G353 VanDerWaalsContact O-CA 3.27Å; L326-G353 WeakPolarHBondContact O-CA 3.31Å; L326-V354 PolarHBondContact O-N 3.18Å
327	E	97.2	Very high	96.6	Very high	44 Å²	44	23.8 Å²	23.8	21%	0.206	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.3	171	-176.6	48.4	-135.9	0	0	112.3	N306 M309 H311 S329	N306-E327 WeakPolarHBondContact ND2-CG 3.23Å; N306-E327 PolarHBondContact ND2-O 2.9Å; N306-E327 PolarHBondContact ND2-OE1 3.13Å; N306-E327 WeakPolarHBondContact OD1-CG 3.49Å; M309-E327 HydrophobicContact CB-CB 3.91Å; M309-E327 PolarHBondContact O-N 3.07Å; H311-E327 IonicContact CD2-OE2 3.26Å; H311-E327 IonicContact CE1-OE2 3.4Å; H311-E327 IonicContact NE2-OE2 3.65Å; H311-E327 PolarHBondContact NE2-OE2 3.43Å; E327-S329 PolarHBondContact O-N 2.89Å
328	S	93.5	Very high	96.1	Very high	24 Å²	24	21.1 Å²	21.1	17%	0.168	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	8.3	171.9	56.2	0	0	0	0	114.8	L326 T330	L326-S328 VanDerWaalsContact CB-OG 3.3Å; L326-S328 WeakPolarHBondContact CB-OG 3.49Å; L326-S328 PolarHBondContact O-N 2.93Å; S328-T330 PolarHBondContact O-N 2.72Å; S328-T330 PolarHBondContact OG-OG1 3.45Å
329	S	95.1	Very high	95.4	Very high	29 Å²	29	25.3 Å²	25.3	20%	0.203	14%	0.141	C	C	.	.	S	Bend	trans	65	9.3	-176.7	85.3	0	0	0	0	116	L326 E327 H350 R352	L326-S329 PolarHBondContact O-N 2.77Å; E327-S329 PolarHBondContact O-N 2.89Å; S329-H350 VanDerWaalsContact CB-O 3.29Å; S329-H350 WeakPolarHBondContact CB-O 3.48Å; S329-H350 WeakPolarHBondContact O-CB 3.3Å; S329-H350 PolarHBondContact OG-O 2.95Å; S329-R352 WeakPolarHBondContact CA-O 3.48Å; S329-R352 WeakPolarHBondContact CB-O 3.47Å
330	T	96.2	Very high	95.1	Very high	8 Å²	8	34.2 Å²	34.2	5%	0.049	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	161.3	175.8	58.4	0	0	0	0	111.5	L326 S328 E332 Y348	L326-T330 WeakPolarHBondContact CB-O 3.37Å; L326-T330 WeakPolarHBondContact CD1-OG1 3.41Å; L326-T330 PolarHBondContact N-O 2.92Å; S328-T330 PolarHBondContact O-N 2.72Å; S328-T330 PolarHBondContact OG-OG1 3.45Å; T330-E332 PolarHBondContact OG1-OE1 2.88Å; T330-Y348 HydrophobicContact CG2-CD1 3.77Å; T330-Y348 HydrophobicContact CG2-CE1 3.63Å
331	I	98.2	Very high	95	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.2	169.3	-56.3	163.2	0	0	0	107.7	A323 A324 S346 L347 V354 L357 L365 S367 W377	A323-I331 HydrophobicContact CB-CG2 4.06Å; A324-I331 CarbonylContact O-C 3.59Å; A324-I331 VanDerWaalsContact O-CA 3.27Å; A324-I331 WeakPolarHBondContact O-CA 3.3Å; I331-S346 CarbonylContact O-C 3.47Å; I331-S346 WeakPolarHBondContact O-CA 3.45Å; I331-L347 HydrophobicContact CB-CB 4.14Å; I331-L347 HydrophobicContact CB-CD1 4.4Å; I331-L347 HydrophobicContact CB-CG 4.46Å; I331-L347 HydrophobicContact CG2-CD1 4.34Å; I331-L347 PolarHBondContact N-O 2.95Å; I331-L347 VanDerWaalsContact N-O 3.14Å; I331-L347 PolarHBondContact O-N 2.93Å; I331-V354 HydrophobicContact CD1-CG1 4.21Å; I331-V354 HydrophobicContact CD1-CG2 4.46Å; I331-V354 HydrophobicContact CG1-CB 4.31Å; I331-V354 HydrophobicContact CG1-CG1 4Å; I331-V354 HydrophobicContact CG1-CG2 3.89Å; I331-L357 HydrophobicContact CD1-CD2 4.07Å; I331-L357 HydrophobicContact CG1-CD2 4.3Å; I331-L357 HydrophobicContact CG2-CD1 4.49Å; I331-L357 HydrophobicContact CG2-CD2 4.08Å; I331-L365 HydrophobicContact CG2-CD2 4.07Å; I331-S367 VanDerWaalsContact CD1-OG 3.27Å; I331-S367 WeakPolarHBondContact CD1-OG 3.32Å; I331-W377 HydrophobicContact CD1-CZ2 4.14Å
332	E	97.9	Very high	94.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	120.8	174.6	-57.3	-53.5	139.9	0	0	109.7	M180 I183 A323 A324 L326 T330 F334 H343 S346	M180-E332 HydrophobicContact SD-CB 4.21Å; M180-E332 HydrophobicContact SD-CG 3.86Å; I183-E332 HydrophobicContact CG2-CG 4.39Å; A323-E332 CarbonylContact C-O 3.16Å; A323-E332 WeakPolarHBondContact CA-O 3.37Å; A324-E332 PolarHBondContact N-O 3.49Å; A324-E332 PolarHBondContact O-N 3.14Å; L326-E332 HydrophobicContact CD1-CG 3.58Å; L326-E332 HydrophobicContact CG-CG 4.42Å; T330-E332 PolarHBondContact OG1-OE1 2.88Å; E332-F334 HydrophobicContact CB-CE2 3.68Å; E332-F334 HydrophobicContact CB-CZ 3.74Å; E332-F334 WeakPolarHBondContact O-CD2 3.48Å; E332-F334 VanDerWaalsContact O-CE2 3.28Å; E332-F334 WeakPolarHBondContact O-CE2 3.27Å; E332-H343 IonicContact OE2-CD2 3.63Å; E332-H343 IonicContact OE2-CE1 3.85Å; E332-H343 IonicContact OE2-NE2 3.23Å; E332-H343 PolarHBondContact OE2-NE2 3.28Å; E332-S346 VanDerWaalsContact CD-OG 3.3Å; E332-S346 WeakPolarHBondContact OE1-CB 3.12Å; E332-S346 PolarHBondContact OE1-OG 2.89Å; E332-S346 WeakPolarHBondContact OE2-CA 3.32Å; E332-S346 VanDerWaalsContact OE2-CB 3.3Å; E332-S346 WeakPolarHBondContact OE2-CB 3.35Å; E332-S346 PolarHBondContact OE2-OG 2.95Å
333	L	98.4	Very high	94.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	135.8	177.7	-173.4	65	0	0	0	109.6	F321 A323 L344 E345 F359 L379 V383	F321-L333 HydrophobicContact CB-CD1 4.39Å; A323-L333 HydrophobicContact CB-CD1 4.3Å; L333-L344 HydrophobicContact CD2-CD2 3.73Å; L333-L344 HydrophobicContact CD2-CG 4.48Å; L333-L344 HydrophobicContact CG-CB 4.48Å; L333-L344 HydrophobicContact CG-CD2 4.11Å; L333-L344 WeakPolarHBondContact O-CA 3.19Å; L333-L344 WeakPolarHBondContact O-CB 3.4Å; L333-L344 PolarHBondContact O-N 3.03Å; L333-E345 WeakPolarHBondContact CB-O 3.23Å; L333-E345 PolarHBondContact N-O 3.1Å; L333-E345 PolarHBondContact O-N 3.46Å; L333-F359 HydrophobicContact CD1-CE1 4.43Å; L333-F359 HydrophobicContact CD1-CZ 4.05Å; L333-L379 HydrophobicContact CD2-CD2 3.93Å; L333-V383 HydrophobicContact CD2-CG2 4.15Å
334	F	97.9	Very high	94.6	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.5	178.5	-53.2	-95.7	0	0	0	109.7	F178 M180 I183 F321 V322 A324 E332 L341 N342 H343	F178-F334 HydrophobicContact CB-CE1 4.16Å; F178-F334 HydrophobicContact CB-CZ 4.48Å; F178-F334 HydrophobicContact CD1-CD1 4.16Å; F178-F334 AromaticContact CD1-CE1 3.7Å; F178-F334 HydrophobicContact CD1-CE1 3.7Å; F178-F334 HydrophobicContact CD2-CD1 4.17Å; F178-F334 AromaticContact CD2-CE1 3.92Å; F178-F334 HydrophobicContact CD2-CE1 3.92Å; F178-F334 AromaticContact CE1-CD1 3.95Å; F178-F334 HydrophobicContact CE1-CD1 3.95Å; F178-F334 AromaticContact CE1-CE1 3.97Å; F178-F334 HydrophobicContact CE1-CE1 3.97Å; F178-F334 AromaticContact CE2-CD1 3.95Å; F178-F334 HydrophobicContact CE2-CD1 3.95Å; F178-F334 HydrophobicContact CE2-CE1 4.17Å; F178-F334 HydrophobicContact CG-CD1 4.26Å; F178-F334 AromaticContact CG-CE1 3.66Å; F178-F334 HydrophobicContact CG-CE1 3.66Å; F178-F334 HydrophobicContact CG-CZ 4.38Å; F178-F334 AromaticContact CZ-CD1 3.83Å; F178-F334 HydrophobicContact CZ-CD1 3.83Å; F178-F334 HydrophobicContact CZ-CE1 4.19Å; M180-F334 HydrophobicContact CE-CE1 4.28Å; M180-F334 HydrophobicContact CE-CE2 4.34Å; M180-F334 HydrophobicContact CE-CZ 3.5Å; M180-F334 HydrophobicContact SD-CZ 4.26Å; I183-F334 HydrophobicContact CD1-CE1 4.12Å; I183-F334 HydrophobicContact CD1-CZ 4.41Å; F321-F334 VanDerWaalsContact CA-O 3.3Å; F321-F334 WeakPolarHBondContact CA-O 3.21Å; V322-F334 HydrophobicContact CB-CB 4.28Å; V322-F334 HydrophobicContact CG1-CD2 4.46Å; V322-F334 PolarHBondContact N-O 2.92Å; V322-F334 WeakPolarHBondContact O-CD2 3.43Å; V322-F334 PolarHBondContact O-N 2.78Å; A324-F334 HydrophobicContact CB-CE2 4.14Å; E332-F334 HydrophobicContact CB-CE2 3.68Å; E332-F334 HydrophobicContact CB-CZ 3.74Å; E332-F334 WeakPolarHBondContact O-CD2 3.48Å; E332-F334 VanDerWaalsContact O-CE2 3.28Å; E332-F334 WeakPolarHBondContact O-CE2 3.27Å; F334-L341 HydrophobicContact CB-CD2 4.32Å; F334-N342 CarbonylContact C-O 3.53Å; F334-N342 WeakPolarHBondContact CA-O 3.3Å; F334-N342 WeakPolarHBondContact CB-O 3.29Å; F334-H343 HydrophobicContact CD1-CB 4.13Å; F334-H343 HydrophobicContact CE1-CB 4.07Å
335	A	96.5	Very high	94.4	Very high	24 Å²	24	45.7 Å²	45.7	20%	0.198	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149.2	177.8	0	0	0	0	0	112.6	D320 F321 N342 L344	D320-A335 CarbonylContact O-C 3.58Å; D320-A335 VanDerWaalsContact O-CA 3.27Å; D320-A335 WeakPolarHBondContact O-CA 3.4Å; F321-A335 HydrophobicContact CD1-CB 3.91Å; F321-A335 HydrophobicContact CE1-CB 3.94Å; A335-N342 PolarHBondContact N-O 2.55Å; A335-N342 PolarHBondContact O-N 3.16Å; A335-L344 HydrophobicContact CB-CB 4.22Å; A335-L344 HydrophobicContact CB-CD2 3.95Å
336	G	95.3	Very high	94.2	Very high	14 Å²	14	46.6 Å²	46.6	14%	0.144	24%	0.239	C	C	.	.			trans	173.2	130.6	169.3	0	0	0	0	0	115.5	R147 D320 G338 R340	R147-G336 PolarHBondContact NH2-O 3Å; D320-G336 PolarHBondContact O-N 3Å; G336-G338 VanDerWaalsContact C-N 3.29Å; G336-G338 PolarHBondContact O-N 2.89Å; G336-R340 WeakPolarHBondContact CA-O 3.39Å
337	D	87.1	Confident	94.1	Very high	147 Å²	147	46.9 Å²	46.9	79%	0.786	24%	0.241	S	C	*	.	S	Bend	trans	-85.3	50.4	-177.1	67.1	-18.1	0	0	0	112.9
338	G	85.1	Confident	94.1	Very high	18 Å²	18	51.4 Å²	51.4	19%	0.186	26%	0.257	C	S	.	.	S	Bend	trans	167.9	-136.2	178.8	0	0	0	0	0	115	R147 R150 G336 R340	R147-G338 PolarHBondContact NH1-O 3.26Å; R150-G338 WeakPolarHBondContact CD-O 3.5Å; R150-G338 VanDerWaalsContact NE-CA 3.26Å; R150-G338 PolarHBondContact NE-O 2.59Å; G336-G338 VanDerWaalsContact C-N 3.29Å; G336-G338 PolarHBondContact O-N 2.89Å; G338-R340 VanDerWaalsContact C-N 3.29Å
339	K	82.5	Confident	94	Very high	121 Å²	121	51.8 Å²	51.8	53%	0.526	26%	0.264	S	S	.	.	S	Bend	trans	-70.5	-26.4	177.6	-68.1	177.1	178.4	-177.3	0	112.7	W152 Q153 L173	W152-K339 HydrophobicContact CZ2-CG 3.78Å; Q153-K339 PolarHBondContact NE2-O 3.02Å; L173-K339 HydrophobicContact CD2-CD 4.03Å
340	R	88.9	Confident	94.1	Very high	187 Å²	187	50.8 Å²	50.8	71%	0.706	26%	0.257	S	S	*	.			trans	-101.1	144.4	-176.2	-67.4	-176.6	173.7	-118.3	-1.7	110	G336 G338	G336-R340 WeakPolarHBondContact CA-O 3.39Å; G338-R340 VanDerWaalsContact C-N 3.29Å
341	L	94.3	Very high	94.1	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.021	29%	0.286	C	S	.	.			trans	-116	146.1	161.6	-79.4	164.6	0	0	0	105.9	I155 V165 F178 V322 F334	I155-L341 HydrophobicContact CD1-CD1 3.75Å; V165-L341 HydrophobicContact CG2-CD1 3.9Å; F178-L341 HydrophobicContact CE2-CB 4.25Å; F178-L341 HydrophobicContact CZ-CB 4.11Å; F178-L341 WeakPolarHBondContact CZ-O 3.28Å; V322-L341 HydrophobicContact CB-CD1 4.42Å; V322-L341 HydrophobicContact CG2-CD1 3.75Å; V322-L341 HydrophobicContact CG2-CD2 4.11Å; F334-L341 HydrophobicContact CB-CD2 4.32Å
342	N	95.5	Very high	94	Very high	98 Å²	98	63.1 Å²	63.1	52%	0.524	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	152	167.9	-54.4	-66.5	0	0	0	108	F334 A335 L344	F334-N342 CarbonylContact C-O 3.53Å; F334-N342 WeakPolarHBondContact CA-O 3.3Å; F334-N342 WeakPolarHBondContact CB-O 3.29Å; A335-N342 PolarHBondContact N-O 2.55Å; A335-N342 PolarHBondContact O-N 3.16Å; N342-L344 PolarHBondContact O-N 3.33Å
343	H	95.4	Very high	93.9	Very high	70 Å²	70	63.1 Å²	63.1	32%	0.324	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	135.1	166.5	179.9	-99	0	0	0	109.4	I183 E332 F334	I183-H343 VanDerWaalsContact CG2-CD2 3.43Å; I183-H343 WeakPolarHBondContact CG2-CD2 3.3Å; I183-H343 WeakPolarHBondContact CG2-NE2 3.33Å; E332-H343 IonicContact OE2-CD2 3.63Å; E332-H343 IonicContact OE2-CE1 3.85Å; E332-H343 IonicContact OE2-NE2 3.23Å; E332-H343 PolarHBondContact OE2-NE2 3.28Å; F334-H343 HydrophobicContact CD1-CB 4.13Å; F334-H343 HydrophobicContact CE1-CB 4.07Å
344	L	95.2	Very high	93.9	Very high	87 Å²	87	63 Å²	63	46%	0.455	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-58.5	-179.6	176.3	60.3	0	0	0	110.1	F321 L333 A335 N342	F321-L344 HydrophobicContact CD1-CD2 4.36Å; F321-L344 HydrophobicContact CE1-CD2 4.1Å; L333-L344 HydrophobicContact CD2-CD2 3.73Å; L333-L344 HydrophobicContact CD2-CG 4.48Å; L333-L344 HydrophobicContact CG-CB 4.48Å; L333-L344 HydrophobicContact CG-CD2 4.11Å; L333-L344 WeakPolarHBondContact O-CA 3.19Å; L333-L344 WeakPolarHBondContact O-CB 3.4Å; L333-L344 PolarHBondContact O-N 3.03Å; A335-L344 HydrophobicContact CB-CB 4.22Å; A335-L344 HydrophobicContact CB-CD2 3.95Å; N342-L344 PolarHBondContact O-N 3.33Å
345	E	94.6	Very high	94	Very high	82 Å²	82	64.2 Å²	64.2	38%	0.383	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	151.8	-174.9	-169.7	167.1	-167.6	0	0	111.5	L333 L347	L333-E345 WeakPolarHBondContact CB-O 3.23Å; L333-E345 PolarHBondContact N-O 3.1Å; L333-E345 PolarHBondContact O-N 3.46Å; E345-L347 HydrophobicContact CG-CD2 4.32Å
346	S	95.8	Very high	94.1	Very high	18 Å²	18	63.1 Å²	63.1	13%	0.126	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.6	170.5	-48.4	0	0	0	0	109.7	I331 E332 Y348	I331-S346 CarbonylContact O-C 3.47Å; I331-S346 WeakPolarHBondContact O-CA 3.45Å; E332-S346 VanDerWaalsContact CD-OG 3.3Å; E332-S346 WeakPolarHBondContact OE1-CB 3.12Å; E332-S346 PolarHBondContact OE1-OG 2.89Å; E332-S346 WeakPolarHBondContact OE2-CA 3.32Å; E332-S346 VanDerWaalsContact OE2-CB 3.3Å; E332-S346 WeakPolarHBondContact OE2-CB 3.35Å; E332-S346 PolarHBondContact OE2-OG 2.95Å; S346-Y348 VanDerWaalsContact O-CD2 3.28Å; S346-Y348 WeakPolarHBondContact O-CD2 3.3Å; S346-Y348 WeakPolarHBondContact O-CE2 3.49Å
347	L	96.3	Very high	94.3	Very high	7 Å²	7	63.3 Å²	63.3	4%	0.037	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	128.9	-179.3	-44.6	178.3	0	0	0	110.3	I331 E345 L365 W377 V383	I331-L347 HydrophobicContact CB-CB 4.14Å; I331-L347 HydrophobicContact CB-CD1 4.4Å; I331-L347 HydrophobicContact CB-CG 4.46Å; I331-L347 HydrophobicContact CG2-CD1 4.34Å; I331-L347 PolarHBondContact N-O 2.95Å; I331-L347 VanDerWaalsContact N-O 3.14Å; I331-L347 PolarHBondContact O-N 2.93Å; E345-L347 HydrophobicContact CG-CD2 4.32Å; L347-L365 HydrophobicContact CD1-CD2 4.15Å; L347-W377 HydrophobicContact CB-CD2 4.29Å; L347-W377 HydrophobicContact CB-CE3 4.09Å; L347-W377 HydrophobicContact CB-CH2 3.89Å; L347-W377 HydrophobicContact CB-CZ2 4.09Å; L347-W377 HydrophobicContact CB-CZ3 3.88Å; L347-W377 HydrophobicContact CD1-CB 4.32Å; L347-W377 HydrophobicContact CD1-CD2 3.74Å; L347-W377 HydrophobicContact CD1-CE3 4Å; L347-W377 HydrophobicContact CD1-CG 3.87Å; L347-W377 HydrophobicContact CD2-CE3 4.46Å; L347-W377 HydrophobicContact CG-CE3 4.42Å; L347-V383 HydrophobicContact CD1-CG1 4.25Å; L347-V383 HydrophobicContact CD2-CB 4.01Å; L347-V383 HydrophobicContact CD2-CG1 3.63Å; L347-V383 HydrophobicContact CD2-CG2 4.48Å
348	Y	95.6	Very high	94.8	Very high	138 Å²	138	57.9 Å²	57.9	54%	0.541	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.1	-174.9	-60.1	-90.1	0	0	0	110.7	T330 S346 W377	T330-Y348 HydrophobicContact CG2-CD1 3.77Å; T330-Y348 HydrophobicContact CG2-CE1 3.63Å; S346-Y348 VanDerWaalsContact O-CD2 3.28Å; S346-Y348 WeakPolarHBondContact O-CD2 3.3Å; S346-Y348 WeakPolarHBondContact O-CE2 3.49Å; Y348-W377 WeakPolarHBondContact O-CH2 3.24Å
349	G	93.4	Very high	95.5	Very high	32 Å²	32	57.8 Å²	57.8	33%	0.33	28%	0.276	S	S	.	.			trans	179.9	-42.4	177	0	0	0	0	0	113.3	F375	G349-F375 VanDerWaalsContact CA-CZ 3.48Å; G349-F375 VanDerWaalsContact O-CZ 3.23Å; G349-F375 WeakPolarHBondContact O-CZ 3.2Å
350	H	96.5	Very high	96.2	Very high	8 Å²	8	52.3 Å²	52.3	4%	0.037	25%	0.252	C	S	.	.			trans	-68.7	153.3	174.5	-71.6	-80.9	0	0	0	111.6	S329 V354 S367 G369 D371 N373 F375	S329-H350 VanDerWaalsContact CB-O 3.29Å; S329-H350 WeakPolarHBondContact CB-O 3.48Å; S329-H350 WeakPolarHBondContact O-CB 3.3Å; S329-H350 PolarHBondContact OG-O 2.95Å; H350-V354 HydrophobicContact CB-CG2 3.98Å; H350-S367 PolarHBondContact NE2-OG 2.94Å; H350-G369 PolarHBondContact CE1-N 2.81Å; H350-G369 VanDerWaalsContact CE1-N 3.33Å; H350-D371 WeakPolarHBondContact CA-OD2 3.45Å; H350-D371 WeakPolarHBondContact CB-OD2 3.2Å; H350-D371 IonicContact CE1-OD1 3.78Å; H350-D371 IonicContact CG-OD1 3.28Å; H350-D371 IonicContact CG-OD2 3.62Å; H350-D371 IonicContact ND1-OD1 2.69Å; H350-D371 PolarHBondContact ND1-OD1 2.9Å; H350-D371 IonicContact ND1-OD2 3.66Å; H350-D371 PolarHBondContact ND1-OD2 3.27Å; H350-N373 PolarHBondContact CE1-O 3.22Å; H350-N373 VanDerWaalsContact CE1-O 3.3Å; H350-F375 AromaticContact CD2-CD2 3.75Å; H350-F375 AromaticContact CE1-CD2 3.45Å; H350-F375 VanDerWaalsContact CE1-CD2 3.45Å; H350-F375 WeakPolarHBondContact CE1-CD2 3.38Å; H350-F375 AromaticContact CE1-CE2 3.95Å; H350-F375 AromaticContact CG-CD2 4Å; H350-F375 AromaticContact CG-CE2 3.96Å; H350-F375 AromaticContact ND1-CD2 3.81Å; H350-F375 AromaticContact ND1-CE2 3.83Å; H350-F375 AromaticContact NE2-CD2 3.4Å; H350-F375 WeakPolarHBondContact NE2-CD2 3.37Å
351	T	95.4	Very high	96.5	Very high	110 Å²	110	47 Å²	47	68%	0.675	24%	0.238	S	C	*	.	S	Bend	trans	-113.3	-2.3	-180	57.4	0	0	0	0	113.5	D371	T351-D371 PolarHBondContact N-OD2 2.99Å; T351-D371 VanDerWaalsContact OG1-CB 3.23Å; T351-D371 WeakPolarHBondContact OG1-CB 3.37Å; T351-D371 PolarHBondContact OG1-OD2 2.9Å
352	R	96.4	Very high	96.6	Very high	158 Å²	158	49.2 Å²	49.2	60%	0.596	25%	0.25	S	C	*	.	S	Bend	trans	-142.3	172.8	171.8	-64.4	-178.2	170	-122.3	1.6	109	S329 N370 D371	S329-R352 WeakPolarHBondContact CA-O 3.48Å; S329-R352 WeakPolarHBondContact CB-O 3.47Å; R352-N370 HydrophobicContact CB-CB 3.87Å; R352-N370 WeakPolarHBondContact CD-O 3.44Å; R352-D371 HydrophobicContact CB-CB 3.98Å; R352-D371 HydrophobicContact CG-CB 4.09Å
353	G	96.8	Very high	96.7	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.242	C	C	.	.			trans	-48.4	139	-177.9	0	0	0	0	0	114.4	L326 G369 N370	L326-G353 VanDerWaalsContact O-CA 3.27Å; L326-G353 WeakPolarHBondContact O-CA 3.31Å; G353-G369 WeakPolarHBondContact O-CA 3.31Å; G353-N370 PolarHBondContact O-N 3.14Å
354	V	98.6	Very high	96.8	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	105.4	178.6	-175.7	0	0	0	0	109.5	G325 L326 I331 H350 L357	G325-V354 CarbonylContact C-O 3.55Å; L326-V354 PolarHBondContact O-N 3.18Å; I331-V354 HydrophobicContact CD1-CG1 4.21Å; I331-V354 HydrophobicContact CD1-CG2 4.46Å; I331-V354 HydrophobicContact CG1-CB 4.31Å; I331-V354 HydrophobicContact CG1-CG1 4Å; I331-V354 HydrophobicContact CG1-CG2 3.89Å; H350-V354 HydrophobicContact CB-CG2 3.98Å; V354-L357 HydrophobicContact CG1-CD2 4.04Å; V354-L357 HydrophobicContact CG1-CG 4.41Å
355	S	98.5	Very high	97	Very high	25 Å²	25	41.9 Å²	41.9	18%	0.175	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-24.3	-170.7	46.2	0	0	0	0	113.8	S312 G368 V394	S312-S355 WeakPolarHBondContact CB-O 3.47Å; S355-G368 PolarHBondContact N-O 2.91Å; S355-G368 PolarHBondContact OG-O 3.26Å; S355-V394 WeakPolarHBondContact CB-O 3.19Å; S355-V394 PolarHBondContact OG-O 2.91Å
356	A	98.7	Very high	97.2	Very high	2 Å²	2	38 Å²	38	2%	0.017	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.5	-176.4	0	0	0	0	0	112.3	S367 G368 V394 F397	A356-S367 CarbonylContact O-C 3.56Å; A356-S367 VanDerWaalsContact O-CA 3.32Å; A356-S367 WeakPolarHBondContact O-CA 3.41Å; A356-G368 PolarHBondContact N-O 3.1Å; A356-G368 VanDerWaalsContact N-O 3.13Å; A356-G368 PolarHBondContact O-N 3.33Å; A356-V394 HydrophobicContact CB-CG1 3.97Å; A356-F397 HydrophobicContact CB-CD2 3.8Å; A356-F397 HydrophobicContact CB-CE2 3.66Å
357	L	98.9	Very high	97.3	Very high	17 Å²	17	37.1 Å²	37.1	9%	0.089	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	138.3	176.8	-70	174.5	0	0	0	110.6	A314 A323 I331 V354 L365 I366	A314-L357 HydrophobicContact CB-CB 3.68Å; A323-L357 HydrophobicContact CB-CD1 3.84Å; A323-L357 WeakPolarHBondContact O-CD1 3.47Å; I331-L357 HydrophobicContact CD1-CD2 4.07Å; I331-L357 HydrophobicContact CG1-CD2 4.3Å; I331-L357 HydrophobicContact CG2-CD1 4.49Å; I331-L357 HydrophobicContact CG2-CD2 4.08Å; V354-L357 HydrophobicContact CG1-CD2 4.04Å; V354-L357 HydrophobicContact CG1-CG 4.41Å; L357-L365 HydrophobicContact CB-CD1 4.35Å; L357-L365 HydrophobicContact CD2-CD1 4.09Å; L357-L365 HydrophobicContact CD2-CD2 4.28Å; L357-L365 HydrophobicContact CD2-CG 4.42Å; L357-I366 CarbonylContact C-O 3.58Å; L357-I366 WeakPolarHBondContact CA-O 3.49Å
358	H	98.7	Very high	97.4	Very high	34 Å²	34	36.8 Å²	36.8	16%	0.157	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	123.6	178.4	-176.5	74	0	0	0	111.7	I366 F397 E398 G399	H358-I366 PolarHBondContact N-O 2.83Å; H358-I366 PolarHBondContact O-N 3.32Å; H358-F397 HydrophobicContact CB-CB 3.65Å; H358-F397 HydrophobicContact CB-CD2 4.18Å; H358-F397 HydrophobicContact CB-CG 4.26Å; H358-E398 IonicContact CE1-OE2 2.92Å; H358-G399 PolarHBondContact NE2-O 3.04Å
359	F	98.7	Very high	97.5	Very high	16 Å²	16	30.2 Å²	30.2	7%	0.07	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	137.2	173.4	-77.1	-92.6	0	0	0	110.5	A314 C315 F321 A323 L333 F364 L365 L379	A314-F359 HydrophobicContact CB-CD2 3.75Å; A314-F359 HydrophobicContact CB-CE2 3.9Å; A314-F359 WeakPolarHBondContact O-CE2 3.31Å; C315-F359 VanDerWaalsContact C-CD2 3.42Å; F321-F359 HydrophobicContact CB-CE1 3.82Å; F321-F359 HydrophobicContact CB-CZ 3.94Å; A323-F359 HydrophobicContact CB-CE2 3.79Å; A323-F359 HydrophobicContact CB-CZ 3.82Å; L333-F359 HydrophobicContact CD1-CE1 4.43Å; L333-F359 HydrophobicContact CD1-CZ 4.05Å; F359-F364 CarbonylContact C-O 3.51Å; F359-F364 WeakPolarHBondContact CA-O 3.28Å; F359-L365 HydrophobicContact CD1-CB 4.2Å; F359-L365 HydrophobicContact CD1-CD1 4.3Å; F359-L365 HydrophobicContact CD2-CD1 3.88Å; F359-L365 HydrophobicContact CE1-CB 4.09Å; F359-L365 HydrophobicContact CE1-CD1 4.23Å; F359-L365 HydrophobicContact CE2-CD1 3.78Å; F359-L365 HydrophobicContact CG-CD1 4.15Å; F359-L365 HydrophobicContact CZ-CD1 3.97Å; F359-L379 HydrophobicContact CD1-CD1 3.98Å; F359-L379 HydrophobicContact CE1-CD1 3.59Å
360	I	97.9	Very high	97.8	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.031	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	112.1	157	-53.5	-60.6	0	0	0	105.7	D362 S363 F364 I366 G399 T400 L402 I405	I360-D362 PolarHBondContact O-N 3.4Å; I360-S363 PolarHBondContact O-N 3.21Å; I360-F364 HydrophobicContact CB-CB 4.18Å; I360-F364 HydrophobicContact CB-CD2 4.46Å; I360-F364 PolarHBondContact N-O 3.3Å; I360-F364 PolarHBondContact O-N 3.28Å; I360-F364 VanDerWaalsContact O-N 3.17Å; I360-I366 HydrophobicContact CD1-CD1 4.26Å; I360-I366 HydrophobicContact CG1-CD1 3.94Å; I360-I366 HydrophobicContact CG1-CG1 4.48Å; I360-G399 WeakPolarHBondContact CD1-O 3.11Å; I360-T400 VanDerWaalsContact CG2-O 3.31Å; I360-T400 WeakPolarHBondContact CG2-O 3.08Å; I360-L402 HydrophobicContact CG1-CD2 4.18Å; I360-I405 HydrophobicContact CD1-CD1 3.61Å; I360-I405 HydrophobicContact CG1-CD1 4.21Å
361	D	96.2	Very high	97.8	Very high	75 Å²	75	31 Å²	31	40%	0.401	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	-123.5	-174.7	55.4	59.1	0	0	0	113.1	S316 A317 S363	S316-D361 WeakPolarHBondContact CB-O 3.19Å; A317-D361 PolarHBondContact N-O 3.14Å; A317-D361 VanDerWaalsContact N-O 3.11Å; D361-S363 WeakPolarHBondContact OD1-CA 3.13Å; D361-S363 WeakPolarHBondContact OD1-CB 3.32Å; D361-S363 PolarHBondContact OD1-N 3Å; D361-S363 PolarHBondContact OD1-OG 2.97Å
362	D	96.6	Very high	97.9	Very high	51 Å²	51	29 Å²	29	27%	0.273	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	6.3	175.3	-69	-14.3	0	0	0	111.5	S316 A317 S318 F321 I360	S316-D362 WeakPolarHBondContact CB-OD1 3.37Å; S316-D362 PolarHBondContact OG-OD1 3.27Å; A317-D362 PolarHBondContact N-OD1 2.78Å; S318-D362 WeakPolarHBondContact CB-OD2 3.37Å; S318-D362 PolarHBondContact N-OD1 2.98Å; S318-D362 PolarHBondContact OG-OD1 2.92Å; S318-D362 PolarHBondContact OG-OD2 2.89Å; F321-D362 HydrophobicContact CD2-CB 4.29Å; F321-D362 HydrophobicContact CE2-CB 4.23Å; I360-D362 PolarHBondContact O-N 3.4Å
363	S	96.9	Very high	97.9	Very high	52 Å²	52	22.8 Å²	22.8	36%	0.364	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-27.7	-171.5	-41	0	0	0	0	112.5	I360 D361 L379	I360-S363 PolarHBondContact O-N 3.21Å; D361-S363 WeakPolarHBondContact OD1-CA 3.13Å; D361-S363 WeakPolarHBondContact OD1-CB 3.32Å; D361-S363 PolarHBondContact OD1-N 3Å; D361-S363 PolarHBondContact OD1-OG 2.97Å; S363-L379 PolarHBondContact O-N 2.72Å
364	F	98	Very high	98	Very high	49 Å²	49	22.8 Å²	22.8	22%	0.215	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141	-179.7	-51.6	-83.8	0	0	0	112.2	F359 I360 I376 W377 T378 L402	F359-F364 CarbonylContact C-O 3.51Å; F359-F364 WeakPolarHBondContact CA-O 3.28Å; I360-F364 HydrophobicContact CB-CB 4.18Å; I360-F364 HydrophobicContact CB-CD2 4.46Å; I360-F364 PolarHBondContact N-O 3.3Å; I360-F364 PolarHBondContact O-N 3.28Å; I360-F364 VanDerWaalsContact O-N 3.17Å; F364-I376 HydrophobicContact CD1-CG2 4.3Å; F364-W377 CarbonylContact C-O 3.39Å; F364-W377 VanDerWaalsContact CA-O 3.23Å; F364-W377 WeakPolarHBondContact CA-O 3.36Å; F364-T378 HydrophobicContact CD1-CG2 4.28Å; F364-T378 HydrophobicContact CE1-CG2 3.85Å; F364-T378 WeakPolarHBondContact CE1-OG1 3.21Å; F364-L402 HydrophobicContact CB-CD2 4.41Å; F364-L402 HydrophobicContact CD1-CD1 3.84Å; F364-L402 HydrophobicContact CD2-CD1 3.94Å; F364-L402 HydrophobicContact CD2-CG 4.3Å; F364-L402 HydrophobicContact CE1-CD1 3.84Å; F364-L402 HydrophobicContact CE2-CD1 3.94Å; F364-L402 HydrophobicContact CG-CD1 3.89Å; F364-L402 HydrophobicContact CG-CD2 4.45Å; F364-L402 HydrophobicContact CG-CG 4.39Å; F364-L402 HydrophobicContact CZ-CD1 3.89Å
365	L	98.7	Very high	97.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.4	164.1	171.4	70.5	0	0	0	108.4	A323 I331 L347 L357 F359 W377 L379	A323-L365 HydrophobicContact CB-CD1 4.01Å; A323-L365 HydrophobicContact CB-CD2 3.66Å; I331-L365 HydrophobicContact CG2-CD2 4.07Å; L347-L365 HydrophobicContact CD1-CD2 4.15Å; L357-L365 HydrophobicContact CB-CD1 4.35Å; L357-L365 HydrophobicContact CD2-CD1 4.09Å; L357-L365 HydrophobicContact CD2-CD2 4.28Å; L357-L365 HydrophobicContact CD2-CG 4.42Å; F359-L365 HydrophobicContact CD1-CB 4.2Å; F359-L365 HydrophobicContact CD1-CD1 4.3Å; F359-L365 HydrophobicContact CD2-CD1 3.88Å; F359-L365 HydrophobicContact CE1-CB 4.09Å; F359-L365 HydrophobicContact CE1-CD1 4.23Å; F359-L365 HydrophobicContact CE2-CD1 3.78Å; F359-L365 HydrophobicContact CG-CD1 4.15Å; F359-L365 HydrophobicContact CZ-CD1 3.97Å; L365-W377 HydrophobicContact CB-CB 4.16Å; L365-W377 PolarHBondContact N-O 2.84Å; L365-W377 VanDerWaalsContact O-CD1 3.3Å; L365-W377 PolarHBondContact O-N 3.4Å; L365-L379 HydrophobicContact CB-CD2 4.48Å
366	I	98.6	Very high	97.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.4	171	-55.3	173.4	0	0	0	107.2	L357 H358 I360 V374 F375 F397 L402 I405 L419	L357-I366 CarbonylContact C-O 3.58Å; L357-I366 WeakPolarHBondContact CA-O 3.49Å; H358-I366 PolarHBondContact N-O 2.83Å; H358-I366 PolarHBondContact O-N 3.32Å; I360-I366 HydrophobicContact CD1-CD1 4.26Å; I360-I366 HydrophobicContact CG1-CD1 3.94Å; I360-I366 HydrophobicContact CG1-CG1 4.48Å; I366-V374 HydrophobicContact CG2-CG1 3.67Å; I366-F375 WeakPolarHBondContact CA-O 3.38Å; I366-F397 HydrophobicContact CG2-CD1 4.11Å; I366-F397 HydrophobicContact CG2-CD2 4.3Å; I366-F397 HydrophobicContact CG2-CE1 3.78Å; I366-F397 HydrophobicContact CG2-CE2 3.98Å; I366-F397 HydrophobicContact CG2-CG 4.34Å; I366-F397 HydrophobicContact CG2-CZ 3.67Å; I366-L402 HydrophobicContact CD1-CD2 4.03Å; I366-L402 HydrophobicContact CG1-CD2 4.31Å; I366-I405 HydrophobicContact CD1-CB 4.5Å; I366-I405 HydrophobicContact CD1-CD1 3.51Å; I366-I405 HydrophobicContact CD1-CG1 3.68Å; I366-I405 HydrophobicContact CD1-CG2 4.06Å; I366-L419 HydrophobicContact CD1-CD1 4.31Å; I366-L419 HydrophobicContact CG2-CD1 4.28Å
367	S	98.8	Very high	97.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	143.2	173.1	64.9	0	0	0	0	111.4	I331 H350 A356 V374 F375 W377	I331-S367 VanDerWaalsContact CD1-OG 3.27Å; I331-S367 WeakPolarHBondContact CD1-OG 3.32Å; H350-S367 PolarHBondContact NE2-OG 2.94Å; A356-S367 CarbonylContact O-C 3.56Å; A356-S367 VanDerWaalsContact O-CA 3.32Å; A356-S367 WeakPolarHBondContact O-CA 3.41Å; S367-V374 CarbonylContact O-C 3.5Å; S367-V374 WeakPolarHBondContact O-CA 3.29Å; S367-F375 PolarHBondContact N-O 2.84Å; S367-F375 PolarHBondContact O-N 3.4Å; S367-F375 WeakPolarHBondContact OG-CB 3.19Å; S367-W377 PolarHBondContact OG-NE1 3.3Å
368	G	98.6	Very high	97.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137	176.5	0	0	0	0	0	109	S355 A356	S355-G368 PolarHBondContact N-O 2.91Å; S355-G368 PolarHBondContact OG-O 3.26Å; A356-G368 PolarHBondContact N-O 3.1Å; A356-G368 VanDerWaalsContact N-O 3.13Å; A356-G368 PolarHBondContact O-N 3.33Å
369	G	97.6	Very high	97.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	163.2	-173.9	0	0	0	0	0	113.8	H350 G353 D371 Q372 N373	H350-G369 PolarHBondContact CE1-N 2.81Å; H350-G369 VanDerWaalsContact CE1-N 3.33Å; G353-G369 WeakPolarHBondContact O-CA 3.31Å; G369-D371 PolarHBondContact O-N 3.17Å; G369-D371 VanDerWaalsContact O-N 3.16Å; G369-Q372 PolarHBondContact O-N 2.76Å; G369-N373 PolarHBondContact N-O 3.47Å; G369-N373 VanDerWaalsContact N-O 3.1Å
370	N	98.1	Very high	97.3	Very high	40 Å²	40	25.4 Å²	25.4	21%	0.214	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-6.3	170.3	-72.9	-19.9	0	0	0	113	R352 G353 Q372	R352-N370 HydrophobicContact CB-CB 3.87Å; R352-N370 WeakPolarHBondContact CD-O 3.44Å; G353-N370 PolarHBondContact O-N 3.14Å; N370-Q372 VanDerWaalsContact C-N 3.25Å
371	D	97	Very high	96.9	Very high	16 Å²	16	32 Å²	32	9%	0.086	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	10.6	170.9	66.1	-5.9	0	0	0	113.2	H350 T351 R352 G369 N373	H350-D371 WeakPolarHBondContact CA-OD2 3.45Å; H350-D371 WeakPolarHBondContact CB-OD2 3.2Å; H350-D371 IonicContact CE1-OD1 3.78Å; H350-D371 IonicContact CG-OD1 3.28Å; H350-D371 IonicContact CG-OD2 3.62Å; H350-D371 IonicContact ND1-OD1 2.69Å; H350-D371 PolarHBondContact ND1-OD1 2.9Å; H350-D371 IonicContact ND1-OD2 3.66Å; H350-D371 PolarHBondContact ND1-OD2 3.27Å; T351-D371 PolarHBondContact N-OD2 2.99Å; T351-D371 VanDerWaalsContact OG1-CB 3.23Å; T351-D371 WeakPolarHBondContact OG1-CB 3.37Å; T351-D371 PolarHBondContact OG1-OD2 2.9Å; R352-D371 HydrophobicContact CB-CB 3.98Å; R352-D371 HydrophobicContact CG-CB 4.09Å; G369-D371 PolarHBondContact O-N 3.17Å; G369-D371 VanDerWaalsContact O-N 3.16Å; D371-N373 PolarHBondContact O-N 3.38Å; D371-N373 VanDerWaalsContact O-N 3.16Å; D371-N373 PolarHBondContact O-ND2 3.15Å; D371-N373 PolarHBondContact OD1-N 2.54Å
372	Q	97.7	Very high	96.7	Very high	69 Å²	69	35.6 Å²	35.6	32%	0.322	21%	0.21	S	C	.	.	S	Bend	trans	63.8	17.9	176.5	-49.3	172.4	-4.2	0	0	114.3	G369 N370 F389 H390 G391 E392	G369-Q372 PolarHBondContact O-N 2.76Å; N370-Q372 VanDerWaalsContact C-N 3.25Å; Q372-F389 HydrophobicContact CB-CE2 4.03Å; Q372-H390 WeakPolarHBondContact O-CA 3.28Å; Q372-H390 WeakPolarHBondContact O-CB 3.47Å; Q372-H390 PolarHBondContact O-N 2.64Å; Q372-G391 PolarHBondContact O-N 2.89Å; Q372-G391 VanDerWaalsContact O-N 3.16Å; Q372-G391 PolarHBondContact OE1-O 3.31Å; Q372-E392 VanDerWaalsContact CA-O 3.29Å; Q372-E392 WeakPolarHBondContact CA-O 3.04Å
373	N	97	Very high	96.6	Very high	26 Å²	26	34.2 Å²	34.2	14%	0.139	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	152.2	174.8	-74.8	-91.6	0	0	0	110.5	H350 G369 D371 F375 N387	H350-N373 PolarHBondContact CE1-O 3.22Å; H350-N373 VanDerWaalsContact CE1-O 3.3Å; G369-N373 PolarHBondContact N-O 3.47Å; G369-N373 VanDerWaalsContact N-O 3.1Å; D371-N373 PolarHBondContact O-N 3.38Å; D371-N373 VanDerWaalsContact O-N 3.16Å; D371-N373 PolarHBondContact O-ND2 3.15Å; D371-N373 PolarHBondContact OD1-N 2.54Å; N373-F375 HydrophobicContact CB-CD2 4.29Å; N373-F375 HydrophobicContact CB-CE2 3.93Å; N373-N387 PolarHBondContact OD1-ND2 3.23Å
374	V	97.8	Very high	96.5	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.7	165.7	175.9	0	0	0	0	107.5	I366 S367 I376 N387 V388 H390 V394 F397 L419	I366-V374 HydrophobicContact CG2-CG1 3.67Å; S367-V374 CarbonylContact O-C 3.5Å; S367-V374 WeakPolarHBondContact O-CA 3.29Å; V374-I376 HydrophobicContact CG1-CD1 4.22Å; V374-N387 CarbonylContact O-C 3.01Å; V374-N387 WeakPolarHBondContact O-CA 3.28Å; V374-V388 PolarHBondContact N-O 3.13Å; V374-V388 PolarHBondContact O-N 3.46Å; V374-H390 HydrophobicContact CG2-CB 3.88Å; V374-V394 HydrophobicContact CG2-CG2 3.91Å; V374-F397 HydrophobicContact CG1-CE1 4.08Å; V374-F397 HydrophobicContact CG1-CZ 3.98Å; V374-F397 HydrophobicContact CG2-CE1 4.05Å; V374-F397 HydrophobicContact CG2-CZ 3.93Å; V374-L419 HydrophobicContact CG1-CD1 3.91Å
375	F	97.9	Very high	96.4	Very high	20 Å²	20	34.6 Å²	34.6	9%	0.088	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	143.5	171.7	-76.8	-109.5	0	0	0	110.4	G349 H350 I366 S367 N373 W377 Y386 N387	G349-F375 VanDerWaalsContact CA-CZ 3.48Å; G349-F375 VanDerWaalsContact O-CZ 3.23Å; G349-F375 WeakPolarHBondContact O-CZ 3.2Å; H350-F375 AromaticContact CD2-CD2 3.75Å; H350-F375 AromaticContact CE1-CD2 3.45Å; H350-F375 VanDerWaalsContact CE1-CD2 3.45Å; H350-F375 WeakPolarHBondContact CE1-CD2 3.38Å; H350-F375 AromaticContact CE1-CE2 3.95Å; H350-F375 AromaticContact CG-CD2 4Å; H350-F375 AromaticContact CG-CE2 3.96Å; H350-F375 AromaticContact ND1-CD2 3.81Å; H350-F375 AromaticContact ND1-CE2 3.83Å; H350-F375 AromaticContact NE2-CD2 3.4Å; H350-F375 WeakPolarHBondContact NE2-CD2 3.37Å; I366-F375 WeakPolarHBondContact CA-O 3.38Å; S367-F375 PolarHBondContact N-O 2.84Å; S367-F375 PolarHBondContact O-N 3.4Å; S367-F375 WeakPolarHBondContact OG-CB 3.19Å; N373-F375 HydrophobicContact CB-CD2 4.29Å; N373-F375 HydrophobicContact CB-CE2 3.93Å; F375-W377 HydrophobicContact CB-CD2 4.48Å; F375-W377 HydrophobicContact CB-CZ2 3.68Å; F375-W377 AromaticContact CD1-CH2 3.84Å; F375-W377 HydrophobicContact CD1-CH2 3.84Å; F375-W377 AromaticContact CD1-CZ2 3.62Å; F375-W377 HydrophobicContact CD1-CZ2 3.62Å; F375-W377 HydrophobicContact CE1-CH2 4.36Å; F375-W377 HydrophobicContact CE1-CZ2 4.41Å; F375-W377 HydrophobicContact CG-CH2 4.46Å; F375-W377 AromaticContact CG-CZ2 3.77Å; F375-W377 HydrophobicContact CG-CZ2 3.77Å; F375-Y386 WeakPolarHBondContact CA-O 3.44Å; F375-N387 HydrophobicContact CD1-CB 3.84Å; F375-N387 HydrophobicContact CD2-CB 4.08Å; F375-N387 HydrophobicContact CE1-CB 3.51Å; F375-N387 HydrophobicContact CE2-CB 3.78Å; F375-N387 HydrophobicContact CG-CB 4.12Å; F375-N387 HydrophobicContact CZ-CB 3.46Å; F375-N387 VanDerWaalsContact CZ-CB 3.46Å
376	I	97.9	Very high	96.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	114.5	172.9	-56.6	75.9	0	0	0	106.6	F364 V374 G385 Y386 V388 L402 L419	F364-I376 HydrophobicContact CD1-CG2 4.3Å; V374-I376 HydrophobicContact CG1-CD1 4.22Å; I376-G385 WeakPolarHBondContact O-CA 3.4Å; I376-Y386 HydrophobicContact CB-CD1 4.24Å; I376-Y386 HydrophobicContact CB-CE1 3.6Å; I376-Y386 HydrophobicContact CB-CE2 4.18Å; I376-Y386 HydrophobicContact CD1-CD2 4.23Å; I376-Y386 HydrophobicContact CD1-CE2 3.62Å; I376-Y386 HydrophobicContact CG1-CE1 4.36Å; I376-Y386 HydrophobicContact CG1-CE2 4.12Å; I376-Y386 HydrophobicContact CG2-CE1 3.86Å; I376-Y386 PolarHBondContact N-O 3.17Å; I376-Y386 PolarHBondContact O-N 2.73Å; I376-Y386 VanDerWaalsContact O-N 3.15Å; I376-V388 HydrophobicContact CD1-CG2 3.87Å; I376-L402 HydrophobicContact CG2-CD1 4.32Å; I376-L402 HydrophobicContact CG2-CD2 3.98Å; I376-L419 HydrophobicContact CD1-CB 4.24Å; I376-L419 HydrophobicContact CD1-CD1 4.25Å; I376-L419 HydrophobicContact CD1-CD2 4.43Å; I376-L419 HydrophobicContact CG1-CB 4.06Å; I376-L419 HydrophobicContact CG1-CD1 4.26Å
377	W	98.1	Very high	96	Very high	14 Å²	14	42.1 Å²	42.1	5%	0.053	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.9	-179.4	-50.9	94.3	0	0	0	109	I331 L347 Y348 F364 L365 S367 F375 V383 T384	I331-W377 HydrophobicContact CD1-CZ2 4.14Å; L347-W377 HydrophobicContact CB-CD2 4.29Å; L347-W377 HydrophobicContact CB-CE3 4.09Å; L347-W377 HydrophobicContact CB-CH2 3.89Å; L347-W377 HydrophobicContact CB-CZ2 4.09Å; L347-W377 HydrophobicContact CB-CZ3 3.88Å; L347-W377 HydrophobicContact CD1-CB 4.32Å; L347-W377 HydrophobicContact CD1-CD2 3.74Å; L347-W377 HydrophobicContact CD1-CE3 4Å; L347-W377 HydrophobicContact CD1-CG 3.87Å; L347-W377 HydrophobicContact CD2-CE3 4.46Å; L347-W377 HydrophobicContact CG-CE3 4.42Å; Y348-W377 WeakPolarHBondContact O-CH2 3.24Å; F364-W377 CarbonylContact C-O 3.39Å; F364-W377 VanDerWaalsContact CA-O 3.23Å; F364-W377 WeakPolarHBondContact CA-O 3.36Å; L365-W377 HydrophobicContact CB-CB 4.16Å; L365-W377 PolarHBondContact N-O 2.84Å; L365-W377 VanDerWaalsContact O-CD1 3.3Å; L365-W377 PolarHBondContact O-N 3.4Å; S367-W377 PolarHBondContact OG-NE1 3.3Å; F375-W377 HydrophobicContact CB-CD2 4.48Å; F375-W377 HydrophobicContact CB-CZ2 3.68Å; F375-W377 AromaticContact CD1-CH2 3.84Å; F375-W377 HydrophobicContact CD1-CH2 3.84Å; F375-W377 AromaticContact CD1-CZ2 3.62Å; F375-W377 HydrophobicContact CD1-CZ2 3.62Å; F375-W377 HydrophobicContact CE1-CH2 4.36Å; F375-W377 HydrophobicContact CE1-CZ2 4.41Å; F375-W377 HydrophobicContact CG-CH2 4.46Å; F375-W377 AromaticContact CG-CZ2 3.77Å; F375-W377 HydrophobicContact CG-CZ2 3.77Å; W377-V383 HydrophobicContact CB-CG1 4.16Å; W377-V383 HydrophobicContact CE3-CG1 4.31Å; W377-T384 CarbonylContact C-O 3.51Å; W377-T384 VanDerWaalsContact CA-O 3.3Å; W377-T384 WeakPolarHBondContact CA-O 3.45Å
378	T	97	Very high	95.7	Very high	37 Å²	37	43.1 Å²	43.1	23%	0.227	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	119.5	171.4	-54.8	0	0	0	0	108.6	F364 V383 T384	F364-T378 HydrophobicContact CD1-CG2 4.28Å; F364-T378 HydrophobicContact CE1-CG2 3.85Å; F364-T378 WeakPolarHBondContact CE1-OG1 3.21Å; T378-V383 WeakPolarHBondContact O-CA 3.35Å; T378-T384 PolarHBondContact N-O 3.3Å; T378-T384 PolarHBondContact O-N 2.92Å; T378-T384 VanDerWaalsContact O-N 3.14Å
379	L	95.9	Very high	95.5	Very high	20 Å²	20	47.2 Å²	47.2	11%	0.105	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-86.7	137.8	179.6	-50.7	179.7	0	0	0	109.6	L333 F359 S363 L365 V383	L333-L379 HydrophobicContact CD2-CD2 3.93Å; F359-L379 HydrophobicContact CD1-CD1 3.98Å; F359-L379 HydrophobicContact CE1-CD1 3.59Å; S363-L379 PolarHBondContact O-N 2.72Å; L365-L379 HydrophobicContact CB-CD2 4.48Å; L379-V383 HydrophobicContact CD2-CG1 4.1Å; L379-V383 HydrophobicContact CD2-CG2 4.25Å
380	G	91.7	Very high	95.4	Very high	59 Å²	59	47.9 Å²	47.9	61%	0.608	28%	0.278	S	S	*	.	S	Bend	trans	179.1	-154.2	-176.8	0	0	0	0	0	111	E382	G380-E382 PolarHBondContact O-N 3.01Å
381	S	89.8	Confident	95.3	Very high	144 Å²	144	46.9 Å²	46.9	100%	1.007	28%	0.278	S	S	*	.	S	Bend	trans	-62.2	-30.7	174.5	-44.9	0	0	0	0	112.8
382	E	91.8	Very high	95.3	Very high	151 Å²	151	50 Å²	50	71%	0.706	29%	0.292	S	S	*	.	S	Bend	trans	-132.6	131.1	171.8	179.8	178.6	-175.1	0	0	106.2	G380 T384	G380-E382 PolarHBondContact O-N 3.01Å; E382-T384 HydrophobicContact CG-CG2 4.43Å
383	V	94.5	Very high	95.3	Very high	21 Å²	21	49.5 Å²	49.5	13%	0.127	29%	0.288	C	S	.	.			trans	-81.1	126.4	176	-177.1	0	0	0	0	108.5	L333 L347 W377 T378 L379	L333-V383 HydrophobicContact CD2-CG2 4.15Å; L347-V383 HydrophobicContact CD1-CG1 4.25Å; L347-V383 HydrophobicContact CD2-CB 4.01Å; L347-V383 HydrophobicContact CD2-CG1 3.63Å; L347-V383 HydrophobicContact CD2-CG2 4.48Å; W377-V383 HydrophobicContact CB-CG1 4.16Å; W377-V383 HydrophobicContact CE3-CG1 4.31Å; T378-V383 WeakPolarHBondContact O-CA 3.35Å; L379-V383 HydrophobicContact CD2-CG1 4.1Å; L379-V383 HydrophobicContact CD2-CG2 4.25Å
384	T	95	Very high	95.4	Very high	70 Å²	70	48.2 Å²	48.2	43%	0.429	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	137	178.1	55.5	0	0	0	0	110.2	W377 T378 E382	W377-T384 CarbonylContact C-O 3.51Å; W377-T384 VanDerWaalsContact CA-O 3.3Å; W377-T384 WeakPolarHBondContact CA-O 3.45Å; T378-T384 PolarHBondContact N-O 3.3Å; T378-T384 PolarHBondContact O-N 2.92Å; T378-T384 VanDerWaalsContact O-N 3.14Å; E382-T384 HydrophobicContact CG-CG2 4.43Å
385	G	94.5	Very high	95.4	Very high	40 Å²	40	49.5 Å²	49.5	41%	0.412	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.1	-179.8	0	0	0	0	0	112	I376	I376-G385 WeakPolarHBondContact O-CA 3.4Å
386	Y	94.4	Very high	95.4	Very high	64 Å²	64	49.3 Å²	49.3	25%	0.251	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	151.9	159.5	66.6	-83.3	0	0	0	110	F375 I376 V388 L419 I421	F375-Y386 WeakPolarHBondContact CA-O 3.44Å; I376-Y386 HydrophobicContact CB-CD1 4.24Å; I376-Y386 HydrophobicContact CB-CE1 3.6Å; I376-Y386 HydrophobicContact CB-CE2 4.18Å; I376-Y386 HydrophobicContact CD1-CD2 4.23Å; I376-Y386 HydrophobicContact CD1-CE2 3.62Å; I376-Y386 HydrophobicContact CG1-CE1 4.36Å; I376-Y386 HydrophobicContact CG1-CE2 4.12Å; I376-Y386 HydrophobicContact CG2-CE1 3.86Å; I376-Y386 PolarHBondContact N-O 3.17Å; I376-Y386 PolarHBondContact O-N 2.73Å; I376-Y386 VanDerWaalsContact O-N 3.15Å; Y386-V388 HydrophobicContact CD2-CG2 4.25Å; Y386-V388 HydrophobicContact CE2-CG2 4.06Å; Y386-L419 PolarHBondContact OH-O 2.95Å; Y386-I421 HydrophobicContact CD1-CG1 4.38Å; Y386-I421 HydrophobicContact CE1-CD1 4.3Å; Y386-I421 HydrophobicContact CE1-CG1 3.54Å; Y386-I421 PolarHBondContact OH-N 2.56Å
387	N	94.3	Very high	95.5	Very high	93 Å²	93	49.9 Å²	49.9	50%	0.497	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	151.6	-176.7	80.8	-63.3	0	0	0	112	N373 V374 F375	N373-N387 PolarHBondContact OD1-ND2 3.23Å; V374-N387 CarbonylContact O-C 3.01Å; V374-N387 WeakPolarHBondContact O-CA 3.28Å; F375-N387 HydrophobicContact CD1-CB 3.84Å; F375-N387 HydrophobicContact CD2-CB 4.08Å; F375-N387 HydrophobicContact CE1-CB 3.51Å; F375-N387 HydrophobicContact CE2-CB 3.78Å; F375-N387 HydrophobicContact CG-CB 4.12Å; F375-N387 HydrophobicContact CZ-CB 3.46Å; F375-N387 VanDerWaalsContact CZ-CB 3.46Å
388	V	94.1	Very high	95.4	Very high	21 Å²	21	50.2 Å²	50.2	13%	0.127	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	122.3	174.1	175.3	0	0	0	0	106.6	P3 V374 I376 Y386 H390 L419	P3-V388 HydrophobicContact CG-CG1 3.21Å; V374-V388 PolarHBondContact N-O 3.13Å; V374-V388 PolarHBondContact O-N 3.46Å; I376-V388 HydrophobicContact CD1-CG2 3.87Å; Y386-V388 HydrophobicContact CD2-CG2 4.25Å; Y386-V388 HydrophobicContact CE2-CG2 4.06Å; V388-H390 PolarHBondContact O-N 3.43Å; V388-L419 HydrophobicContact CG1-CD2 4.35Å; V388-L419 HydrophobicContact CG2-CD2 4.37Å
389	F	94.4	Very high	95.4	Very high	86 Å²	86	48.8 Å²	48.8	38%	0.377	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	120.9	173.1	-177.8	-112.6	0	0	0	109.1	T2 P3 Q372	T2-F389 WeakPolarHBondContact CA-O 3.45Å; T2-F389 HydrophobicContact CG2-CD1 3.45Å; T2-F389 VanDerWaalsContact CG2-CD1 3.45Å; T2-F389 HydrophobicContact CG2-CE1 3.88Å; T2-F389 HydrophobicContact CG2-CG 4.48Å; P3-F389 WeakPolarHBondContact CD-O 3.37Å; Q372-F389 HydrophobicContact CB-CE2 4.03Å
390	H	95.1	Very high	95.4	Very high	15 Å²	15	52.1 Å²	52.1	7%	0.069	31%	0.311	C	S	.	.			trans	-95.1	-38.7	-178.4	-176.1	63	0	0	0	111.7	Q372 V374 V388 E392 D409 Q415	Q372-H390 WeakPolarHBondContact O-CA 3.28Å; Q372-H390 WeakPolarHBondContact O-CB 3.47Å; Q372-H390 PolarHBondContact O-N 2.64Å; V374-H390 HydrophobicContact CG2-CB 3.88Å; V388-H390 PolarHBondContact O-N 3.43Å; H390-E392 PolarHBondContact CD2-O 2.79Å; H390-D409 IonicContact CD2-OD2 2.87Å; H390-D409 IonicContact CE1-OD2 3.58Å; H390-D409 IonicContact NE2-OD2 2.74Å; H390-D409 PolarHBondContact NE2-OD2 3.06Å; H390-Q415 PolarHBondContact CE1-OE1 3.36Å; H390-Q415 VanDerWaalsContact CE1-OE1 3.22Å
391	G	95	Very high	95.5	Very high	19 Å²	19	55 Å²	55	20%	0.196	31%	0.308	C	S	.	.	S	Bend	trans	96.7	-8.1	175.7	0	0	0	0	0	115.3	Q372	Q372-G391 PolarHBondContact O-N 2.89Å; Q372-G391 VanDerWaalsContact O-N 3.16Å; Q372-G391 PolarHBondContact OE1-O 3.31Å
392	E	97.1	Very high	95.8	Very high	82 Å²	82	49 Å²	49	38%	0.383	27%	0.265	S	S	.	.	S	Bend	trans	-137.9	158.7	173.6	-71	-59.6	163.3	0	0	111.4	Q372 H390 V394 D409	Q372-E392 VanDerWaalsContact CA-O 3.29Å; Q372-E392 WeakPolarHBondContact CA-O 3.04Å; H390-E392 PolarHBondContact CD2-O 2.79Å; E392-V394 PolarHBondContact O-N 3.16Å; E392-D409 HydrophobicContact CB-CB 3.94Å
393	K	98	Very high	96	Very high	57 Å²	57	45.7 Å²	45.7	25%	0.248	25%	0.252	C	S	.	.			trans	-67.2	126.1	174.9	-60.5	179.4	-174.6	168.7	0	109	D409 F410	K393-D409 CarbonylContact O-C 3.41Å; K393-D409 WeakPolarHBondContact O-CA 3.36Å; K393-D409 WeakPolarHBondContact O-CB 3.38Å; K393-F410 HydrophobicContact CB-CB 4.32Å; K393-F410 HydrophobicContact CB-CD2 3.65Å; K393-F410 HydrophobicContact CB-CE2 4.06Å; K393-F410 HydrophobicContact CB-CG 3.91Å; K393-F410 HydrophobicContact CD-CD1 4.15Å; K393-F410 HydrophobicContact CD-CE1 4.19Å; K393-F410 HydrophobicContact CD-CG 4.34Å; K393-F410 HydrophobicContact CD-CZ 4.42Å; K393-F410 VanDerWaalsContact O-CD2 3.31Å; K393-F410 WeakPolarHBondContact O-CD2 3.31Å; K393-F410 PolarHBondContact O-N 3.2Å
394	V	98.4	Very high	95.9	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	136.6	-175.5	-178.4	0	0	0	0	110.7	S355 A356 V374 E392 F397 V407	S355-V394 WeakPolarHBondContact CB-O 3.19Å; S355-V394 PolarHBondContact OG-O 2.91Å; A356-V394 HydrophobicContact CB-CG1 3.97Å; V374-V394 HydrophobicContact CG2-CG2 3.91Å; E392-V394 PolarHBondContact O-N 3.16Å; V394-F397 HydrophobicContact CB-CZ 4.4Å; V394-F397 HydrophobicContact CG1-CD1 4.5Å; V394-F397 HydrophobicContact CG1-CD2 4.32Å; V394-F397 HydrophobicContact CG1-CE1 3.9Å; V394-F397 HydrophobicContact CG1-CE2 3.7Å; V394-F397 HydrophobicContact CG1-CZ 3.49Å; V394-F397 VanDerWaalsContact CG1-CZ 3.49Å; V394-F397 HydrophobicContact CG2-CZ 4.48Å; V394-V407 HydrophobicContact CG1-CG1 3.82Å; V394-V407 HydrophobicContact CG2-CG1 4.3Å
395	S	98.4	Very high	96	Very high	26 Å²	26	46.6 Å²	46.6	18%	0.182	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	-37.3	-179.9	56.3	0	0	0	0	112.6	V16 A408 D409	V16-S395 WeakPolarHBondContact O-CB 3.46Å; V16-S395 PolarHBondContact O-OG 2.9Å; S395-A408 PolarHBondContact N-O 3.07Å; S395-A408 PolarHBondContact OG-O 3.16Å; S395-D409 PolarHBondContact OG-N 3.43Å
396	A	98.5	Very high	96.1	Very high	16 Å²	16	45 Å²	45	13%	0.132	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	156.9	-179.6	0	0	0	0	0	113	L19 A408	L19-A396 HydrophobicContact CB-CB 4.29Å; L19-A396 HydrophobicContact CD1-CB 4.4Å; L19-A396 HydrophobicContact CG-CB 4.19Å; A396-A408 HydrophobicContact CB-CB 4.25Å; A396-A408 PolarHBondContact N-O 3.16Å; A396-A408 PolarHBondContact O-N 2.87Å
397	F	98.5	Very high	96.3	Very high	13 Å²	13	42 Å²	42	6%	0.057	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	152.1	171.1	-61.4	-80.1	0	0	0	110.6	A356 H358 I366 V374 V394 I405 I406 V407	A356-F397 HydrophobicContact CB-CD2 3.8Å; A356-F397 HydrophobicContact CB-CE2 3.66Å; H358-F397 HydrophobicContact CB-CB 3.65Å; H358-F397 HydrophobicContact CB-CD2 4.18Å; H358-F397 HydrophobicContact CB-CG 4.26Å; I366-F397 HydrophobicContact CG2-CD1 4.11Å; I366-F397 HydrophobicContact CG2-CD2 4.3Å; I366-F397 HydrophobicContact CG2-CE1 3.78Å; I366-F397 HydrophobicContact CG2-CE2 3.98Å; I366-F397 HydrophobicContact CG2-CG 4.34Å; I366-F397 HydrophobicContact CG2-CZ 3.67Å; V374-F397 HydrophobicContact CG1-CE1 4.08Å; V374-F397 HydrophobicContact CG1-CZ 3.98Å; V374-F397 HydrophobicContact CG2-CE1 4.05Å; V374-F397 HydrophobicContact CG2-CZ 3.93Å; V394-F397 HydrophobicContact CB-CZ 4.4Å; V394-F397 HydrophobicContact CG1-CD1 4.5Å; V394-F397 HydrophobicContact CG1-CD2 4.32Å; V394-F397 HydrophobicContact CG1-CE1 3.9Å; V394-F397 HydrophobicContact CG1-CE2 3.7Å; V394-F397 HydrophobicContact CG1-CZ 3.49Å; V394-F397 VanDerWaalsContact CG1-CZ 3.49Å; V394-F397 HydrophobicContact CG2-CZ 4.48Å; F397-I405 HydrophobicContact CD1-CG2 3.86Å; F397-I406 CarbonylContact C-O 3.54Å; F397-I406 VanDerWaalsContact CA-O 3.28Å; F397-I406 WeakPolarHBondContact CA-O 3.4Å; F397-V407 HydrophobicContact CD1-CB 4.36Å; F397-V407 HydrophobicContact CD1-CG1 4.11Å; F397-V407 HydrophobicContact CD1-CG2 3.86Å; F397-V407 HydrophobicContact CE1-CB 4.44Å; F397-V407 HydrophobicContact CE1-CG1 3.86Å; F397-V407 HydrophobicContact CE1-CG2 3.89Å
398	E	97.6	Very high	96.5	Very high	21 Å²	21	37.6 Å²	37.6	10%	0.098	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	151.4	163.9	-84.5	-65.2	-176.6	0	0	110.1	L19 S20 L21 L26 K60 H358 I406	L19-E398 HydrophobicContact CB-CB 4.29Å; L19-E398 HydrophobicContact CB-CG 3.64Å; S20-E398 WeakPolarHBondContact CA-OE1 3.32Å; L21-E398 HydrophobicContact CB-CB 4.12Å; L21-E398 HydrophobicContact CB-CG 4.1Å; L21-E398 WeakPolarHBondContact CB-OE2 3.35Å; L21-E398 PolarHBondContact N-OE1 3.04Å; L26-E398 HydrophobicContact CD1-CB 4.26Å; L26-E398 HydrophobicContact CD1-CG 4.46Å; K60-E398 IonicContact NZ-OE1 3.24Å; H358-E398 IonicContact CE1-OE2 2.92Å; E398-I406 HydrophobicContact CB-CB 4.37Å; E398-I406 PolarHBondContact N-O 2.74Å; E398-I406 WeakPolarHBondContact O-CA 3.28Å; E398-I406 WeakPolarHBondContact O-CB 3.29Å; E398-I406 PolarHBondContact O-N 2.84Å
399	G	96	Very high	96.6	Very high	7 Å²	7	36.6 Å²	36.6	7%	0.072	19%	0.186	C	C	.	.			trans	146.9	158.2	178.9	0	0	0	0	0	112.9	H358 I360	H358-G399 PolarHBondContact NE2-O 3.04Å; I360-G399 WeakPolarHBondContact CD1-O 3.11Å
400	T	95.3	Very high	96.8	Very high	89 Å²	89	36.9 Å²	36.9	55%	0.546	19%	0.187	S	C	.	.	S	Bend	trans	-115.9	-7.5	-177.6	59.8	0	0	0	0	113.1	I360	I360-T400 VanDerWaalsContact CG2-O 3.31Å; I360-T400 WeakPolarHBondContact CG2-O 3.08Å
401	H	95.4	Very high	96.9	Very high	119 Å²	119	37.1 Å²	37.1	55%	0.551	19%	0.191	S	C	*	.	S	Bend	trans	-143.4	141.6	-178.3	-60.2	-59.9	0	0	0	109.9	D403 R404 I405	H401-D403 WeakPolarHBondContact CB-OD1 3.42Å; H401-D403 PolarHBondContact O-N 2.84Å; H401-R404 CarbonylContact O-C 3.56Å; H401-R404 PolarHBondContact O-N 3.33Å; H401-R404 VanDerWaalsContact O-N 3.07Å; H401-I405 WeakPolarHBondContact O-CD1 3.47Å
402	L	96.1	Very high	97	Very high	20 Å²	20	38.6 Å²	38.6	11%	0.105	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.9	-179.5	-69.6	178.5	0	0	0	113.3	I360 F364 I366 I376 R404 L419 S420	I360-L402 HydrophobicContact CG1-CD2 4.18Å; F364-L402 HydrophobicContact CB-CD2 4.41Å; F364-L402 HydrophobicContact CD1-CD1 3.84Å; F364-L402 HydrophobicContact CD2-CD1 3.94Å; F364-L402 HydrophobicContact CD2-CG 4.3Å; F364-L402 HydrophobicContact CE1-CD1 3.84Å; F364-L402 HydrophobicContact CE2-CD1 3.94Å; F364-L402 HydrophobicContact CG-CD1 3.89Å; F364-L402 HydrophobicContact CG-CD2 4.45Å; F364-L402 HydrophobicContact CG-CG 4.39Å; F364-L402 HydrophobicContact CZ-CD1 3.89Å; I366-L402 HydrophobicContact CD1-CD2 4.03Å; I366-L402 HydrophobicContact CG1-CD2 4.31Å; I376-L402 HydrophobicContact CG2-CD1 4.32Å; I376-L402 HydrophobicContact CG2-CD2 3.98Å; L402-R404 PolarHBondContact O-N 2.76Å; L402-L419 CarbonylContact O-C 3.5Å; L402-L419 WeakPolarHBondContact O-CA 3.16Å; L402-L419 PolarHBondContact O-N 3.22Å; L402-S420 PolarHBondContact O-N 2.85Å
403	D	94.4	Very high	97	Very high	81 Å²	81	36.2 Å²	36.2	43%	0.433	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-8.8	178.3	68.7	-15.7	0	0	0	113.9	L6 H401 N418 S420	L6-D403 VanDerWaalsContact CD1-O 3.28Å; L6-D403 WeakPolarHBondContact CD1-O 3.29Å; H401-D403 WeakPolarHBondContact CB-OD1 3.42Å; H401-D403 PolarHBondContact O-N 2.84Å; D403-N418 WeakPolarHBondContact CA-OD1 3.23Å; D403-S420 PolarHBondContact N-OG 2.85Å
404	R	94	Very high	96.9	Very high	110 Å²	110	33.7 Å²	33.7	42%	0.415	18%	0.177	S	C	.	.	S	Bend	trans	-151.2	73.1	-177.4	-162.7	178.5	-177.4	176.3	2.3	111.8	L40 H401 L402 V416	L40-R404 PolarHBondContact O-NH2 2.87Å; H401-R404 CarbonylContact O-C 3.56Å; H401-R404 PolarHBondContact O-N 3.33Å; H401-R404 VanDerWaalsContact O-N 3.07Å; L402-R404 PolarHBondContact O-N 2.76Å; R404-V416 HydrophobicContact CG-CG1 3.66Å
405	I	96.3	Very high	96.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.7	175.1	-59.4	-60.3	0	0	0	109.6	I360 I366 F397 H401 V407 V416 L417 L419	I360-I405 HydrophobicContact CD1-CD1 3.61Å; I360-I405 HydrophobicContact CG1-CD1 4.21Å; I366-I405 HydrophobicContact CD1-CB 4.5Å; I366-I405 HydrophobicContact CD1-CD1 3.51Å; I366-I405 HydrophobicContact CD1-CG1 3.68Å; I366-I405 HydrophobicContact CD1-CG2 4.06Å; F397-I405 HydrophobicContact CD1-CG2 3.86Å; H401-I405 WeakPolarHBondContact O-CD1 3.47Å; I405-V407 HydrophobicContact CG2-CG2 4.16Å; I405-V416 CarbonylContact O-C 3.49Å; I405-V416 WeakPolarHBondContact O-CA 3.43Å; I405-L417 PolarHBondContact N-O 2.94Å; I405-L417 PolarHBondContact O-N 3.1Å; I405-L419 HydrophobicContact CB-CD1 3.98Å; I405-L419 HydrophobicContact CB-CG 4.28Å; I405-L419 HydrophobicContact CG1-CB 4.43Å; I405-L419 HydrophobicContact CG1-CD1 4.01Å; I405-L419 HydrophobicContact CG1-CG 4.28Å; I405-L419 HydrophobicContact CG2-CD1 4.02Å
406	I	96.9	Very high	96.6	Very high	7 Å²	7	35.2 Å²	35.2	4%	0.036	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	129	176.2	-54.9	168.1	0	0	0	107	L19 L21 L26 L40 F397 E398 I414 Q415 V416	L19-I406 HydrophobicContact CD1-CG2 3.81Å; L21-I406 HydrophobicContact CD1-CD1 4.04Å; L26-I406 HydrophobicContact CD1-CD1 3.91Å; L26-I406 HydrophobicContact CD1-CG2 4.17Å; L26-I406 HydrophobicContact CD2-CD1 4.23Å; L26-I406 HydrophobicContact CD2-CG2 3.65Å; L26-I406 HydrophobicContact CG-CD1 4.49Å; L40-I406 HydrophobicContact CD2-CD1 3.88Å; F397-I406 CarbonylContact C-O 3.54Å; F397-I406 VanDerWaalsContact CA-O 3.28Å; F397-I406 WeakPolarHBondContact CA-O 3.4Å; E398-I406 HydrophobicContact CB-CB 4.37Å; E398-I406 PolarHBondContact N-O 2.74Å; E398-I406 WeakPolarHBondContact O-CA 3.28Å; E398-I406 WeakPolarHBondContact O-CB 3.29Å; E398-I406 PolarHBondContact O-N 2.84Å; I406-I414 HydrophobicContact CG2-CG2 3.41Å; I406-I414 VanDerWaalsContact CG2-CG2 3.41Å; I406-Q415 CarbonylContact C-O 3.51Å; I406-Q415 WeakPolarHBondContact CA-O 3.46Å; I406-V416 HydrophobicContact CG1-CG2 4.36Å
407	V	97.8	Very high	96.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.2	-176.8	-168	0	0	0	0	108.9	V394 F397 I405 Q415 L417	V394-V407 HydrophobicContact CG1-CG1 3.82Å; V394-V407 HydrophobicContact CG2-CG1 4.3Å; F397-V407 HydrophobicContact CD1-CB 4.36Å; F397-V407 HydrophobicContact CD1-CG1 4.11Å; F397-V407 HydrophobicContact CD1-CG2 3.86Å; F397-V407 HydrophobicContact CE1-CB 4.44Å; F397-V407 HydrophobicContact CE1-CG1 3.86Å; F397-V407 HydrophobicContact CE1-CG2 3.89Å; I405-V407 HydrophobicContact CG2-CG2 4.16Å; V407-Q415 PolarHBondContact N-O 2.76Å; V407-Q415 PolarHBondContact O-N 3.05Å; V407-L417 HydrophobicContact CG2-CD1 3.69Å; V407-L417 HydrophobicContact CG2-CG 3.95Å
408	A	98.2	Very high	96.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	146.7	163.2	0	0	0	0	0	108.8	V16 L19 S395 A396	V16-A408 HydrophobicContact CB-CB 3.82Å; V16-A408 HydrophobicContact CG1-CB 3.62Å; L19-A408 HydrophobicContact CD1-CB 3.62Å; L19-A408 HydrophobicContact CD2-CB 4.07Å; L19-A408 HydrophobicContact CG-CB 3.65Å; S395-A408 PolarHBondContact N-O 3.07Å; S395-A408 PolarHBondContact OG-O 3.16Å; A396-A408 HydrophobicContact CB-CB 4.25Å; A396-A408 PolarHBondContact N-O 3.16Å; A396-A408 PolarHBondContact O-N 2.87Å
409	D	98.2	Very high	96.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	-174.4	-176	54.8	43.4	0	0	0	110	V16 H390 E392 K393 S395 S411	V16-D409 PolarHBondContact N-O 2.74Å; V16-D409 VanDerWaalsContact N-O 3.16Å; H390-D409 IonicContact CD2-OD2 2.87Å; H390-D409 IonicContact CE1-OD2 3.58Å; H390-D409 IonicContact NE2-OD2 2.74Å; H390-D409 PolarHBondContact NE2-OD2 3.06Å; E392-D409 HydrophobicContact CB-CB 3.94Å; K393-D409 CarbonylContact O-C 3.41Å; K393-D409 WeakPolarHBondContact O-CA 3.36Å; K393-D409 WeakPolarHBondContact O-CB 3.38Å; S395-D409 PolarHBondContact OG-N 3.43Å; D409-S411 PolarHBondContact O-N 3.48Å; D409-S411 WeakPolarHBondContact OD1-CA 3.19Å; D409-S411 WeakPolarHBondContact OD1-CB 3.23Å; D409-S411 PolarHBondContact OD1-N 2.86Å; D409-S411 PolarHBondContact OD1-OG 3.18Å
410	F	97.9	Very high	95.8	Very high	92 Å²	92	37.9 Å²	37.9	40%	0.404	20%	0.197	S	C	.	.	S	Bend	trans	-73.2	14.9	179.3	-80.4	-127.2	0	0	0	113.2	K393	K393-F410 HydrophobicContact CB-CB 4.32Å; K393-F410 HydrophobicContact CB-CD2 3.65Å; K393-F410 HydrophobicContact CB-CE2 4.06Å; K393-F410 HydrophobicContact CB-CG 3.91Å; K393-F410 HydrophobicContact CD-CD1 4.15Å; K393-F410 HydrophobicContact CD-CE1 4.19Å; K393-F410 HydrophobicContact CD-CG 4.34Å; K393-F410 HydrophobicContact CD-CZ 4.42Å; K393-F410 VanDerWaalsContact O-CD2 3.31Å; K393-F410 WeakPolarHBondContact O-CD2 3.31Å; K393-F410 PolarHBondContact O-N 3.2Å
411	S	97.5	Very high	94.8	Very high	21 Å²	21	39.1 Å²	39.1	15%	0.147	20%	0.2	C	C	.	.	S	Bend	trans	-105	163.4	169.4	88.8	0	0	0	0	110.9	V16 D409 V413	V16-S411 PolarHBondContact N-O 2.88Å; D409-S411 PolarHBondContact O-N 3.48Å; D409-S411 WeakPolarHBondContact OD1-CA 3.19Å; D409-S411 WeakPolarHBondContact OD1-CB 3.23Å; D409-S411 PolarHBondContact OD1-N 2.86Å; D409-S411 PolarHBondContact OD1-OG 3.18Å; S411-V413 PolarHBondContact O-N 2.99Å; S411-V413 VanDerWaalsContact O-N 3.13Å; S411-V413 PolarHBondContact OG-N 3.28Å; S411-V413 PolarHBondContact OG-O 2.79Å
412	P	97.1	Very high	92.9	Very high	50 Å²	50	45 Å²	45	33%	0.325	23%	0.227	S	C	.	.	S	Bend	trans	-75.8	10.6	174.6	30.2	-35.1	0	0	0	114.6	H12 D14	H12-P412 HydrophobicContact CB-CB 4.28Å; H12-P412 VanDerWaalsContact O-CB 3.29Å; H12-P412 WeakPolarHBondContact O-CB 3.33Å; D14-P412 VanDerWaalsContact O-CA 3.3Å; D14-P412 WeakPolarHBondContact O-CA 3.36Å
413	V	96	Very high	92.8	Very high	32 Å²	32	46.3 Å²	46.3	19%	0.194	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.1	-169.9	-176.5	0	0	0	0	110.3	V10 S411 Q415	V10-V413 HydrophobicContact CG2-CG1 4.35Å; V10-V413 HydrophobicContact CG2-CG2 4.22Å; S411-V413 PolarHBondContact O-N 2.99Å; S411-V413 VanDerWaalsContact O-N 3.13Å; S411-V413 PolarHBondContact OG-N 3.28Å; S411-V413 PolarHBondContact OG-O 2.79Å; V413-Q415 HydrophobicContact CG1-CG 4.45Å
414	I	96.6	Very high	92.7	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.015	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	131.9	170.1	-59.8	169.1	0	0	0	108.2	S8 A9 V16 L19 L26 S28 W38 I406	S8-I414 CarbonylContact C-O 3.46Å; S8-I414 VanDerWaalsContact CA-O 3.31Å; S8-I414 WeakPolarHBondContact CA-O 3.44Å; A9-I414 HydrophobicContact CB-CB 4.25Å; A9-I414 PolarHBondContact N-O 2.89Å; A9-I414 PolarHBondContact O-N 3.25Å; V16-I414 HydrophobicContact CB-CG1 4.5Å; V16-I414 HydrophobicContact CG1-CD1 4.28Å; V16-I414 HydrophobicContact CG1-CG1 4.06Å; V16-I414 HydrophobicContact CG2-CG1 4.11Å; L19-I414 HydrophobicContact CD2-CD1 3.93Å; L19-I414 HydrophobicContact CD2-CG1 4.35Å; L26-I414 HydrophobicContact CD2-CD1 4.21Å; L26-I414 HydrophobicContact CD2-CG2 4.09Å; S28-I414 VanDerWaalsContact CB-CD1 3.5Å; W38-I414 HydrophobicContact CD2-CD1 4.4Å; W38-I414 HydrophobicContact CH2-CD1 4.47Å; W38-I414 HydrophobicContact CZ2-CD1 3.66Å; I406-I414 HydrophobicContact CG2-CG2 3.41Å; I406-I414 VanDerWaalsContact CG2-CG2 3.41Å
415	Q	95.1	Very high	92.6	Very high	39 Å²	39	40.8 Å²	40.8	18%	0.182	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	147.7	-180	-58.7	-171.6	2.7	0	0	111.5	P5 H390 I406 V407 V413 L417	P5-Q415 HydrophobicContact CB-CB 4.4Å; H390-Q415 PolarHBondContact CE1-OE1 3.36Å; H390-Q415 VanDerWaalsContact CE1-OE1 3.22Å; I406-Q415 CarbonylContact C-O 3.51Å; I406-Q415 WeakPolarHBondContact CA-O 3.46Å; V407-Q415 PolarHBondContact N-O 2.76Å; V407-Q415 PolarHBondContact O-N 3.05Å; V413-Q415 HydrophobicContact CG1-CG 4.45Å; Q415-L417 HydrophobicContact CB-CD2 4.31Å
416	V	94.7	Very high	92.4	Very high	20 Å²	20	43.2 Å²	43.2	12%	0.121	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	117.9	169.7	-173.8	0	0	0	0	108.3	P5 L6 A7 R404 I405 I406	P5-V416 CarbonylContact C-O 3.58Å; P5-V416 WeakPolarHBondContact CA-O 3.25Å; L6-V416 HydrophobicContact CB-CB 4.48Å; L6-V416 HydrophobicContact CB-CG1 4.39Å; L6-V416 WeakPolarHBondContact CB-O 3.43Å; L6-V416 HydrophobicContact CD1-CG1 4.35Å; L6-V416 PolarHBondContact N-O 3.08Å; A7-V416 HydrophobicContact CB-CB 4.25Å; A7-V416 HydrophobicContact CB-CG2 4.21Å; A7-V416 PolarHBondContact O-N 2.99Å; R404-V416 HydrophobicContact CG-CG1 3.66Å; I405-V416 CarbonylContact O-C 3.49Å; I405-V416 WeakPolarHBondContact O-CA 3.43Å; I406-V416 HydrophobicContact CG1-CG2 4.36Å
417	L	94.5	Very high	92.1	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	146.6	-176.3	-55.1	-175	0	0	0	111.1	P5 I405 V407 Q415 L419	P5-L417 HydrophobicContact CB-CD2 3.95Å; I405-L417 PolarHBondContact N-O 2.94Å; I405-L417 PolarHBondContact O-N 3.1Å; V407-L417 HydrophobicContact CG2-CD1 3.69Å; V407-L417 HydrophobicContact CG2-CG 3.95Å; Q415-L417 HydrophobicContact CB-CD2 4.31Å; L417-L419 HydrophobicContact CB-CD2 3.88Å; L417-L419 HydrophobicContact CB-CG 4.04Å; L417-L419 HydrophobicContact CD1-CD2 4Å
418	N	94.6	Very high	91.7	Very high	63 Å²	63	48.5 Å²	48.5	34%	0.337	25%	0.252	S	S	.	.			trans	-94.4	108.2	159.4	-173.7	-24.2	0	0	0	107.8	L6 D403 S420	L6-N418 HydrophobicContact CD1-CB 4.05Å; L6-N418 HydrophobicContact CD2-CB 4.2Å; L6-N418 HydrophobicContact CG-CB 4.23Å; D403-N418 WeakPolarHBondContact CA-OD1 3.23Å; N418-S420 VanDerWaalsContact OD1-CB 3.25Å; N418-S420 WeakPolarHBondContact OD1-CB 3.47Å; N418-S420 PolarHBondContact OD1-N 3.3Å; N418-S420 PolarHBondContact OD1-OG 3.48Å
419	L	94.5	Very high	91.3	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.016	27%	0.27	C	S	.	.			trans	-102.7	16.5	177.2	-59	-174.4	0	0	0	112	I366 V374 I376 Y386 V388 L402 I405 L417	I366-L419 HydrophobicContact CD1-CD1 4.31Å; I366-L419 HydrophobicContact CG2-CD1 4.28Å; V374-L419 HydrophobicContact CG1-CD1 3.91Å; I376-L419 HydrophobicContact CD1-CB 4.24Å; I376-L419 HydrophobicContact CD1-CD1 4.25Å; I376-L419 HydrophobicContact CD1-CD2 4.43Å; I376-L419 HydrophobicContact CG1-CB 4.06Å; I376-L419 HydrophobicContact CG1-CD1 4.26Å; Y386-L419 PolarHBondContact OH-O 2.95Å; V388-L419 HydrophobicContact CG1-CD2 4.35Å; V388-L419 HydrophobicContact CG2-CD2 4.37Å; L402-L419 CarbonylContact O-C 3.5Å; L402-L419 WeakPolarHBondContact O-CA 3.16Å; L402-L419 PolarHBondContact O-N 3.22Å; I405-L419 HydrophobicContact CB-CD1 3.98Å; I405-L419 HydrophobicContact CB-CG 4.28Å; I405-L419 HydrophobicContact CG1-CB 4.43Å; I405-L419 HydrophobicContact CG1-CD1 4.01Å; I405-L419 HydrophobicContact CG1-CG 4.28Å; I405-L419 HydrophobicContact CG2-CD1 4.02Å; L417-L419 HydrophobicContact CB-CD2 3.88Å; L417-L419 HydrophobicContact CB-CG 4.04Å; L417-L419 HydrophobicContact CD1-CD2 4Å
420	S	91	Very high	90.8	Very high	45 Å²	45	55.9 Å²	55.9	32%	0.315	29%	0.291	S	S	.	.	S	Bend	trans	-65.3	146.4	171.5	-58.1	0	0	0	0	110.4	L402 D403 N418 Q422	L402-S420 PolarHBondContact O-N 2.85Å; D403-S420 PolarHBondContact N-OG 2.85Å; N418-S420 VanDerWaalsContact OD1-CB 3.25Å; N418-S420 WeakPolarHBondContact OD1-CB 3.47Å; N418-S420 PolarHBondContact OD1-N 3.3Å; N418-S420 PolarHBondContact OD1-OG 3.48Å; S420-Q422 PolarHBondContact O-N 3.4Å
421	I	74.9	Confident	90.2	Very high	116 Å²	116	52.9 Å²	52.9	60%	0.595	28%	0.282	S	S	*	.			trans	-54.6	123.2	176.1	-59.3	170.3	0	0	0	108.9	Y386	Y386-I421 HydrophobicContact CD1-CG1 4.38Å; Y386-I421 HydrophobicContact CE1-CD1 4.3Å; Y386-I421 HydrophobicContact CE1-CG1 3.54Å; Y386-I421 PolarHBondContact OH-N 2.56Å
422	Q	55.4	Low	89.5	Confident	242 Å²	242	55.8 Å²	55.8	100%	1.131	29%	0.294	S	S	*	.			trans	-85	0	175.2	-71.8	-170	-7.9	0	0	112.5	S420	S420-Q422 PolarHBondContact O-N 3.4Å

Retrieved 422 of 422 residues in 700.2 ms (Link to these results)

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