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Cleavage and polyadenylation specificity factor subunit 5

Component of the cleavage factor Im (CFIm) complex that functions as an activator of the pre-mRNA 3'-end cleavage and polyadenylation processing required for the maturation of pre-mRNA into functional mRNAs. CFIm contributes to the recruitment of multiprotein complexes on specific sequences on the pre-mRNA 3'-end, so called cleavage and polyadenylation signals (pA signals). Most pre-mRNAs contain multiple pA signals, resulting in alternative cleavage and polyadenylation (APA) producing mRNAs with variable 3'-end formation. The CFIm complex acts as a key regulator of cleavage and polyadenylation site choice during APA through its binding to 5'-UGUA-3' elements localized in the 3'-untranslated region (UTR) for a huge number of pre-mRNAs.

AlphaFold DB , UniProt , Accession A0A5K4FBL2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 212 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	43.5	Very low	56.6	Low	244 Å²	244	142.5 Å²	142.5	100%	1.202	79%	0.787	S	S	*	*				0	91.5	0	-87.1	-174.1	-90.5	0	0	108.5
2	T	54.6	Low	57	Low	148 Å²	148	144.8 Å²	144.8	91%	0.908	78%	0.784	S	S	*	*			trans	-87.9	101.3	170.7	31.5	0	0	0	0	107.3	W4	T2-W4 PolarHBondContact O-N 3.2Å
3	G	53.6	Low	56.9	Low	72 Å²	72	145.3 Å²	145.3	74%	0.742	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-69.1	127.9	179.8	0	0	0	0	0	110.7
4	W	61	Low	57.3	Low	249 Å²	249	145.9 Å²	145.9	94%	0.943	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-56.2	135.7	166.6	-103.1	-53.1	0	0	0	109.4	T2 K6	T2-W4 PolarHBondContact O-N 3.2Å; W4-K6 PolarHBondContact O-N 3.43Å
5	P	61.3	Low	57.8	Low	116 Å²	116	143.3 Å²	143.3	75%	0.753	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-64.2	124.9	177.7	3.3	4.5	0	0	0	109.3	G7	P5-G7 PolarHBondContact O-N 2.99Å
6	K	58.1	Low	58.4	Low	216 Å²	216	142 Å²	142	94%	0.939	78%	0.776	S	S	*	*			trans	-69.6	77.4	167.9	-71.6	-175.7	176.2	-178.9	0	108.9	W4	W4-K6 PolarHBondContact O-N 3.43Å
7	G	59.2	Low	59.3	Low	59 Å²	59	140.4 Å²	140.4	61%	0.608	77%	0.774	S	S	*	*			trans	-71.5	132.4	166.1	0	0	0	0	0	109.8	P5 A9	P5-G7 PolarHBondContact O-N 2.99Å; G7-A9 PolarHBondContact O-N 2.84Å
8	S	58.4	Low	60.4	Low	63 Å²	63	140.1 Å²	140.1	44%	0.441	78%	0.777	S	S	.	*			trans	-51.8	121.5	172.7	53.1	0	0	0	0	110.9	E10 K11	S8-E10 PolarHBondContact O-N 3.28Å; S8-K11 PolarHBondContact O-N 3.13Å
9	A	59.9	Low	61.9	Low	85 Å²	85	134.5 Å²	134.5	70%	0.702	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-56.4	-19.3	-180	0	0	0	0	0	113.7	G7 K11 F12	G7-A9 PolarHBondContact O-N 2.84Å; A9-K11 VanDerWaalsContact C-N 3.29Å; A9-K11 PolarHBondContact O-N 3.31Å; A9-F12 PolarHBondContact O-N 3.23Å
10	E	56.1	Low	63.5	Low	158 Å²	158	131.9 Å²	131.9	74%	0.738	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-68.8	-18.7	-177.8	-65	-179.6	164.4	0	0	114.6	S8 F12 L13	S8-E10 PolarHBondContact O-N 3.28Å; E10-F12 PolarHBondContact O-N 3.41Å; E10-L13 PolarHBondContact O-N 3.49Å
11	K	56.6	Low	65.1	Low	157 Å²	157	129.2 Å²	129.2	68%	0.683	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-70.6	-10.9	178.1	-68	-171.9	-179	-174.2	0	113.9	S8 A9 H14	S8-K11 PolarHBondContact O-N 3.13Å; A9-K11 VanDerWaalsContact C-N 3.29Å; A9-K11 PolarHBondContact O-N 3.31Å; K11-H14 PolarHBondContact O-ND1 3.29Å
12	F	62.1	Low	67.7	Low	171 Å²	171	117.6 Å²	117.6	75%	0.75	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-100.7	5.5	-178.3	-62.1	-77.4	0	0	0	114	A9 E10 H14	A9-F12 PolarHBondContact O-N 3.23Å; E10-F12 PolarHBondContact O-N 3.41Å; F12-H14 PolarHBondContact O-N 3.5Å
13	L	55.3	Low	69.7	Low	151 Å²	151	112.3 Å²	112.3	79%	0.791	63%	0.629	S	S	*	*			trans	-76.1	53.8	169.2	-68.3	168.8	0	0	0	110.8	E10	E10-L13 PolarHBondContact O-N 3.49Å
14	H	62.4	Low	71.9	Confident	153 Å²	153	109 Å²	109	71%	0.708	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-76.8	126.5	157.9	-70.8	75.1	0	0	0	106.1	K11 F12 T16	K11-H14 PolarHBondContact O-ND1 3.29Å; F12-H14 PolarHBondContact O-N 3.5Å; H14-T16 PolarHBondContact O-N 3.03Å
15	S	65.4	Low	73.6	Confident	108 Å²	108	99.2 Å²	99.2	76%	0.755	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-51.6	117.6	166.6	53.8	0	0	0	0	107.5	P17	S15-P17 WeakPolarHBondContact O-CD 3.38Å; S15-P17 VanDerWaalsContact O-N 3.11Å
16	T	67.7	Low	75.4	Confident	122 Å²	122	94 Å²	94	75%	0.748	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-51.9	122.9	173.6	-53.6	0	0	0	0	107.3	H14 V18	H14-T16 PolarHBondContact O-N 3.03Å; T16-V18 PolarHBondContact O-N 2.85Å
17	P	73.2	Confident	77.3	Confident	115 Å²	115	85.4 Å²	85.4	75%	0.747	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-52.8	122.3	175.1	-24.1	32.7	0	0	0	108.4	S15 A19	S15-P17 WeakPolarHBondContact O-CD 3.38Å; S15-P17 VanDerWaalsContact O-N 3.11Å; P17-A19 PolarHBondContact O-N 3.24Å; P17-A19 VanDerWaalsContact O-N 3.15Å
18	V	79.4	Confident	79.1	Confident	135 Å²	135	90.2 Å²	90.2	82%	0.818	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-65.6	118.4	177.7	-179.8	0	0	0	0	106.9	T16 K20	T16-V18 PolarHBondContact O-N 2.85Å; V18-K20 PolarHBondContact O-N 3.07Å
19	A	88.2	Confident	80.9	Confident	34 Å²	34	88.1 Å²	88.1	28%	0.281	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-57.5	131.6	175.8	0	0	0	0	0	109.7	P17 T21 R205 N207	P17-A19 PolarHBondContact O-N 3.24Å; P17-A19 VanDerWaalsContact O-N 3.15Å; A19-T21 PolarHBondContact O-N 2.99Å; A19-R205 WeakPolarHBondContact CB-O 3.26Å; A19-N207 PolarHBondContact O-ND2 3.45Å
20	K	94.4	Very high	82.6	Confident	81 Å²	81	84.5 Å²	84.5	35%	0.352	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-59.4	133.5	178.8	-179.4	172.2	179.1	173.3	0	109	V18 I22 E126 F206 N207	V18-K20 PolarHBondContact O-N 3.07Å; K20-I22 HydrophobicContact CD-CD1 4.49Å; K20-I22 HydrophobicContact CG-CD1 4.37Å; K20-E126 WeakPolarHBondContact CE-OE2 3.42Å; K20-E126 PolarHBondContact NZ-O 3.43Å; K20-E126 IonicContact NZ-OE2 3.83Å; K20-E126 PolarHBondContact NZ-OE2 3.15Å; K20-F206 HydrophobicContact CB-CD1 3.97Å; K20-F206 HydrophobicContact CB-CE1 4.22Å; K20-F206 HydrophobicContact CD-CE1 4.27Å; K20-F206 HydrophobicContact CG-CD1 4.35Å; K20-F206 HydrophobicContact CG-CE1 4.48Å; K20-F206 WeakPolarHBondContact O-CA 3.2Å; K20-N207 PolarHBondContact O-N 2.79Å
21	T	96.3	Very high	84.5	Confident	76 Å²	76	80.4 Å²	80.4	47%	0.466	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	135.5	178.9	-58.8	0	0	0	0	109.8	A19 N207 A209	A19-T21 PolarHBondContact O-N 2.99Å; T21-N207 CarbonylContact C-O 3.57Å; T21-N207 VanDerWaalsContact CA-O 3.31Å; T21-N207 WeakPolarHBondContact CA-O 3.41Å; T21-N207 HydrophobicContact CG2-CB 4.47Å; T21-A209 HydrophobicContact CG2-CB 3.78Å
22	I	97.7	Very high	86.2	Confident	1 Å²	1	77.4 Å²	77.4	1%	0.005	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126	177.4	-55.3	-67.9	0	0	0	107.3	K20 L24 E126 L160 F206 N207 F208 A209	K20-I22 HydrophobicContact CD-CD1 4.49Å; K20-I22 HydrophobicContact CG-CD1 4.37Å; I22-L24 HydrophobicContact CG2-CD2 4.02Å; I22-E126 HydrophobicContact CD1-CB 4.15Å; I22-E126 HydrophobicContact CD1-CG 4.1Å; I22-L160 HydrophobicContact CD1-CD2 3.64Å; I22-L160 HydrophobicContact CG1-CD2 3.68Å; I22-L160 HydrophobicContact CG2-CD2 4.22Å; I22-F206 HydrophobicContact CD1-CD1 4.1Å; I22-F206 HydrophobicContact CD1-CE1 4.4Å; I22-F206 HydrophobicContact CG1-CB 4.01Å; I22-F206 HydrophobicContact CG1-CD1 3.7Å; I22-F206 HydrophobicContact CG1-CE1 4.42Å; I22-F206 HydrophobicContact CG1-CG 3.97Å; I22-N207 PolarHBondContact N-O 3.15Å; I22-F208 HydrophobicContact CB-CD1 4.32Å; I22-A209 PolarHBondContact O-N 3.48Å
23	T	98.1	Very high	87.7	Confident	37 Å²	37	70.5 Å²	70.5	23%	0.227	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	124.7	-179.6	-59	0	0	0	0	109.1	Y25 Q162 A209 N211	T23-Y25 HydrophobicContact CG2-CD2 4.44Å; T23-Y25 HydrophobicContact CG2-CE1 4.01Å; T23-Y25 HydrophobicContact CG2-CE2 3.86Å; T23-Q162 PolarHBondContact O-NE2 2.94Å; T23-Q162 PolarHBondContact O-OE1 3.44Å; T23-A209 CarbonylContact C-O 3.56Å; T23-A209 WeakPolarHBondContact CA-O 3.22Å; T23-N211 HydrophobicContact CG2-CB 4.03Å; T23-N211 VanDerWaalsContact CG2-ND2 3.26Å; T23-N211 WeakPolarHBondContact CG2-ND2 3.37Å
24	L	98.5	Very high	89.6	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.01	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	134.7	173.8	-53.9	-169.7	0	0	0	108.3	I22 L70 H72 P77 F208 A209 Y210 N211	I22-L24 HydrophobicContact CG2-CD2 4.02Å; L24-L70 HydrophobicContact CD1-CB 4.46Å; L24-L70 HydrophobicContact CD2-CB 3.33Å; L24-L70 HydrophobicContact CD2-CD1 4.01Å; L24-L70 HydrophobicContact CD2-CG 4.33Å; L24-H72 HydrophobicContact CB-CB 4.32Å; L24-H72 PolarHBondContact O-CD2 3.28Å; L24-H72 PolarHBondContact O-NE2 3.49Å; L24-P77 HydrophobicContact CD1-CB 3.7Å; L24-F208 HydrophobicContact CD1-CB 4.1Å; L24-F208 HydrophobicContact CD1-CD1 3.97Å; L24-F208 HydrophobicContact CD1-CD2 4.4Å; L24-F208 HydrophobicContact CD1-CE1 4.49Å; L24-F208 HydrophobicContact CD1-CG 3.91Å; L24-F208 HydrophobicContact CD2-CD1 4.5Å; L24-F208 HydrophobicContact CG-CB 4.43Å; L24-F208 HydrophobicContact CG-CD1 4.25Å; L24-F208 HydrophobicContact CG-CG 4.48Å; L24-A209 PolarHBondContact N-O 2.85Å; L24-Y210 HydrophobicContact CB-CD1 4.26Å; L24-Y210 HydrophobicContact CD1-CD1 4.33Å; L24-Y210 HydrophobicContact CD1-CE1 3.88Å; L24-N211 PolarHBondContact O-N 2.99Å
25	Y	98.5	Very high	91.2	Very high	43 Å²	43	62.8 Å²	62.8	17%	0.169	37%	0.365	C	S	.	.			trans	-107.7	155.3	172.3	-60.4	-78.2	0	0	0	110.4	T23 V71 H72 L163 E165 N211	T23-Y25 HydrophobicContact CG2-CD2 4.44Å; T23-Y25 HydrophobicContact CG2-CE1 4.01Å; T23-Y25 HydrophobicContact CG2-CE2 3.86Å; Y25-V71 WeakPolarHBondContact O-CA 3.18Å; Y25-H72 VanDerWaalsContact C-NE2 3.35Å; Y25-H72 PolarHBondContact O-CD2 2.97Å; Y25-H72 PolarHBondContact O-N 3.23Å; Y25-L163 WeakPolarHBondContact CE2-O 3.03Å; Y25-E165 HydrophobicContact CD1-CB 4.04Å; Y25-E165 HydrophobicContact CD1-CG 3.73Å; Y25-E165 HydrophobicContact CE1-CB 3.69Å; Y25-E165 HydrophobicContact CE1-CG 3.59Å; Y25-E165 HydrophobicContact CE2-CB 4.24Å; Y25-E165 HydrophobicContact CG-CB 4.43Å; Y25-E165 HydrophobicContact CG-CG 4.44Å; Y25-N211 HydrophobicContact CD1-CB 3.85Å; Y25-N211 HydrophobicContact CE1-CB 3.8Å
26	P	98.3	Very high	92.6	Very high	6 Å²	6	65.3 Å²	65.3	4%	0.039	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-71.4	149	-171.9	29.2	-37.2	0	0	0	110.1	K28 S29 H72 N211 D212	P26-K28 HydrophobicContact CB-CD 4.42Å; P26-K28 HydrophobicContact CB-CG 4Å; P26-K28 HydrophobicContact CG-CD 4.44Å; P26-K28 HydrophobicContact CG-CG 3.98Å; P26-K28 PolarHBondContact O-N 3.35Å; P26-S29 VanDerWaalsContact CG-OG 3.32Å; P26-S29 WeakPolarHBondContact CG-OG 3.42Å; P26-S29 VanDerWaalsContact O-CB 3.32Å; P26-S29 WeakPolarHBondContact O-CB 3.26Å; P26-S29 PolarHBondContact O-N 3.13Å; P26-H72 CarbonylContact C-O 3.57Å; P26-H72 WeakPolarHBondContact CA-O 3.5Å; P26-H72 WeakPolarHBondContact CD-NE2 3.36Å; P26-N211 WeakPolarHBondContact CD-O 3.36Å; P26-D212 WeakPolarHBondContact CG-OXT 3.43Å
27	L	97.9	Very high	93.9	Very high	37 Å²	37	61.3 Å²	61.3	19%	0.194	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-51.8	-36.8	179.7	179	63.8	0	0	0	112.3	S29 Y30 F32 V71 H72 E73 L80 A179	L27-S29 PolarHBondContact O-N 2.96Å; L27-Y30 PolarHBondContact O-N 3.15Å; L27-Y30 VanDerWaalsContact O-N 3.1Å; L27-F32 HydrophobicContact CD1-CE2 3.93Å; L27-F32 HydrophobicContact CD1-CZ 3.63Å; L27-V71 HydrophobicContact CB-CG2 4.25Å; L27-V71 HydrophobicContact CD1-CG2 4.09Å; L27-H72 PolarHBondContact N-O 3.45Å; L27-E73 HydrophobicContact CB-CG 3.78Å; L27-E73 HydrophobicContact CD2-CG 4.17Å; L27-E73 WeakPolarHBondContact CD2-OE2 3.42Å; L27-L80 HydrophobicContact CD1-CD2 3.96Å; L27-A179 HydrophobicContact CD1-CB 4.21Å; L27-A179 HydrophobicContact CD2-CB 3.89Å
28	K	96.9	Very high	94.7	Very high	159 Å²	159	58.5 Å²	58.5	69%	0.691	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-62.2	-17.4	177.6	74	-172.1	176.5	-177	0	114.6	P26 Y30	P26-K28 HydrophobicContact CB-CD 4.42Å; P26-K28 HydrophobicContact CB-CG 4Å; P26-K28 HydrophobicContact CG-CD 4.44Å; P26-K28 HydrophobicContact CG-CG 3.98Å; P26-K28 PolarHBondContact O-N 3.35Å; K28-Y30 PolarHBondContact O-N 2.76Å
29	S	96.5	Very high	95.2	Very high	20 Å²	20	60.1 Å²	60.1	14%	0.14	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-76.6	-11.6	176.1	-64.9	0	0	0	0	113	P26 L27 E165	P26-S29 VanDerWaalsContact CG-OG 3.32Å; P26-S29 WeakPolarHBondContact CG-OG 3.42Å; P26-S29 VanDerWaalsContact O-CB 3.32Å; P26-S29 WeakPolarHBondContact O-CB 3.26Å; P26-S29 PolarHBondContact O-N 3.13Å; L27-S29 PolarHBondContact O-N 2.96Å; S29-E165 WeakPolarHBondContact CB-O 3.36Å
30	Y	95.8	Very high	95.2	Very high	8 Å²	8	62.6 Å²	62.6	3%	0.031	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	138.7	178.1	-53	-82.1	0	0	0	110.8	L27 K28 V71 L163 P164 T167 F169	L27-Y30 PolarHBondContact O-N 3.15Å; L27-Y30 VanDerWaalsContact O-N 3.1Å; K28-Y30 PolarHBondContact O-N 2.76Å; Y30-V71 HydrophobicContact CD2-CG1 3.85Å; Y30-V71 HydrophobicContact CE2-CB 4.26Å; Y30-V71 HydrophobicContact CE2-CG1 3.43Å; Y30-V71 VanDerWaalsContact CE2-CG1 3.43Å; Y30-L163 HydrophobicContact CE1-CB 3.98Å; Y30-L163 HydrophobicContact CE1-CD1 3.92Å; Y30-L163 HydrophobicContact CE2-CD1 4.33Å; Y30-L163 WeakPolarHBondContact OH-CB 3.39Å; Y30-P164 WeakPolarHBondContact CE1-O 3.36Å; Y30-P164 PolarHBondContact OH-O 2.82Å; Y30-P164 VanDerWaalsContact OH-O 3.12Å; Y30-T167 WeakPolarHBondContact CA-O 3.15Å; Y30-F169 HydrophobicContact CD1-CD2 4.39Å; Y30-F169 AromaticContact CD1-CE2 3.47Å; Y30-F169 HydrophobicContact CD1-CE2 3.47Å; Y30-F169 VanDerWaalsContact CD1-CE2 3.47Å; Y30-F169 AromaticContact CD1-CZ 3.9Å; Y30-F169 HydrophobicContact CD1-CZ 3.9Å; Y30-F169 HydrophobicContact CE1-CE2 4.18Å; Y30-F169 HydrophobicContact CE1-CZ 4.24Å; Y30-F169 AromaticContact CG-CE2 3.84Å; Y30-F169 HydrophobicContact CG-CE2 3.84Å
31	S	94.8	Very high	94.9	Very high	72 Å²	72	67.2 Å²	67.2	50%	0.503	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	141	173.2	-63.4	0	0	0	0	109.9	T167 L168 F169	S31-T167 PolarHBondContact N-O 3.35Å; S31-L168 CarbonylContact O-C 3.57Å; S31-L168 WeakPolarHBondContact O-CA 3.33Å; S31-F169 PolarHBondContact O-N 2.84Å
32	F	93.6	Very high	94.7	Very high	94 Å²	94	65.1 Å²	65.1	41%	0.412	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	109.7	-176.2	-53.5	-77.5	0	0	0	109.9	L27 F169 L177	L27-F32 HydrophobicContact CD1-CE2 3.93Å; L27-F32 HydrophobicContact CD1-CZ 3.63Å; F32-F169 CarbonylContact C-O 3.55Å; F32-F169 WeakPolarHBondContact CA-O 3.39Å; F32-F169 HydrophobicContact CD1-CB 4.13Å; F32-F169 HydrophobicContact CD1-CD2 4.02Å; F32-F169 AromaticContact CE1-CD2 3.57Å; F32-F169 HydrophobicContact CE1-CD2 3.57Å; F32-F169 HydrophobicContact CE1-CE2 4.32Å; F32-F169 HydrophobicContact CZ-CD2 4.5Å; F32-L177 HydrophobicContact CD1-CD2 3.4Å; F32-L177 HydrophobicContact CE1-CD2 3.25Å; F32-L177 HydrophobicContact CZ-CD2 4.28Å
33	G	93.9	Very high	94.2	Very high	26 Å²	26	77.4 Å²	77.4	27%	0.268	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	173.7	169.1	0	0	0	0	0	111.7	F169 A170 V171	G33-F169 PolarHBondContact N-O 3.41Å; G33-A170 WeakPolarHBondContact O-CA 3.5Å; G33-V171 PolarHBondContact O-N 3.42Å
34	T	94.6	Very high	93.8	Very high	104 Å²	104	78.4 Å²	78.4	64%	0.638	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	147	176	-55.7	0	0	0	0	109.9	V171	T34-V171 CarbonylContact C-O 3.56Å; T34-V171 WeakPolarHBondContact CA-O 3.36Å
35	K	95.5	Very high	93.4	Very high	38 Å²	38	82.6 Å²	82.6	17%	0.165	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	-179.1	170	70.1	-178.8	-177.3	-169.7	0	112.3	E111 M112 T116 A170 V171 P172 S173	K35-E111 WeakPolarHBondContact CE-O 3.49Å; K35-E111 PolarHBondContact NZ-O 3.17Å; K35-M112 WeakPolarHBondContact CE-O 3.18Å; K35-M112 PolarHBondContact NZ-O 2.65Å; K35-T116 HydrophobicContact CB-CG2 3.65Å; K35-A170 HydrophobicContact CB-CB 4.14Å; K35-A170 HydrophobicContact CD-CB 4.07Å; K35-A170 WeakPolarHBondContact CD-O 3.48Å; K35-A170 WeakPolarHBondContact CE-O 3.22Å; K35-A170 HydrophobicContact CG-CB 4.33Å; K35-A170 PolarHBondContact NZ-O 2.74Å; K35-V171 PolarHBondContact N-O 3.45Å; K35-P172 HydrophobicContact CG-CB 4.47Å; K35-P172 HydrophobicContact CG-CG 4.49Å; K35-S173 PolarHBondContact O-N 3.48Å
36	E	94.6	Very high	93.3	Very high	161 Å²	161	85 Å²	85	75%	0.752	42%	0.421	S	S	*	.	S	Bend	trans	-50.3	141.8	177.6	-65	-53.8	142.6	0	0	112.2	P172	E36-P172 WeakPolarHBondContact O-CB 3.11Å
37	P	94.7	Very high	93.2	Very high	38 Å²	38	86.3 Å²	86.3	25%	0.247	43%	0.431	C	S	.	.			trans	-63.2	142.2	-178.5	26.8	-34	0	0	0	111.2	Y39 N174	P37-Y39 HydrophobicContact CB-CD2 4.46Å; P37-Y39 HydrophobicContact CB-CE2 3.77Å; P37-Y39 HydrophobicContact CG-CE2 3.6Å; P37-N174 VanDerWaalsContact CA-OD1 3.31Å; P37-N174 WeakPolarHBondContact CA-OD1 3.27Å; P37-N174 HydrophobicContact CB-CB 4.06Å
38	N	91.3	Very high	93	Very high	57 Å²	57	89.1 Å²	89.1	31%	0.305	44%	0.439	S	S	.	.			trans	-109	103.4	176.4	-174.9	-11.9	0	0	0	109.6	M112 P172 N174 Y175	N38-M112 WeakPolarHBondContact ND2-CE 3.45Å; N38-P172 HydrophobicContact CB-CB 3.84Å; N38-P172 HydrophobicContact CB-CG 3.88Å; N38-N174 PolarHBondContact N-OD1 2.95Å; N38-N174 PolarHBondContact O-ND2 2.77Å; N38-Y175 HydrophobicContact CB-CE2 4.25Å; N38-Y175 VanDerWaalsContact O-CE2 3.28Å; N38-Y175 WeakPolarHBondContact O-CE2 3.39Å
39	Y	90.2	Very high	93	Very high	169 Å²	169	82.9 Å²	82.9	66%	0.663	41%	0.412	S	S	*	.			trans	-85.1	137.6	-178.3	-63.8	-76.7	0	0	0	111.5	P37	P37-Y39 HydrophobicContact CB-CD2 4.46Å; P37-Y39 HydrophobicContact CB-CE2 3.77Å; P37-Y39 HydrophobicContact CG-CE2 3.6Å
40	E	87.4	Confident	93.1	Very high	85 Å²	85	87.2 Å²	87.2	40%	0.397	43%	0.43	S	S	.	.			trans	-58.8	139.2	168.1	-69.9	-69.1	151	0	0	109.6	D42 K89 Y175	E40-D42 PolarHBondContact O-N 3.39Å; E40-K89 IonicContact OE1-NZ 3.83Å; E40-K89 PolarHBondContact OE1-NZ 3.42Å; E40-Y175 PolarHBondContact OE1-OH 2.9Å
41	R	88.3	Confident	93.1	Very high	179 Å²	179	89.2 Å²	89.2	68%	0.675	44%	0.438	S	S	*	.	S	Bend	trans	-62.9	-31.1	-177.8	-65.5	-177.2	-177.8	167.4	2.7	112.4	R51 E94	R41-R51 VanDerWaalsContact CB-NH1 3.25Å; R41-E94 IonicContact NH1-OE2 2.68Å; R41-E94 PolarHBondContact NH1-OE2 2.88Å
42	D	91	Very high	93.3	Very high	32 Å²	32	86 Å²	86	17%	0.171	42%	0.415	C	S	.	.			trans	-107.4	141.2	-176.8	-54.1	-65.1	0	0	0	112.1	E40 S44 A47 R48 R51	E40-D42 PolarHBondContact O-N 3.39Å; D42-S44 VanDerWaalsContact C-N 3.28Å; D42-S44 PolarHBondContact O-N 3.01Å; D42-A47 HydrophobicContact CB-CB 4.19Å; D42-R48 HydrophobicContact CB-CB 4.04Å; D42-R48 VanDerWaalsContact CG-CA 3.47Å; D42-R48 VanDerWaalsContact OD2-CA 3.31Å; D42-R48 WeakPolarHBondContact OD2-CA 3.38Å; D42-R48 WeakPolarHBondContact OD2-CB 3.38Å; D42-R51 IonicContact OD1-CZ 3.2Å; D42-R51 IonicContact OD1-NH1 3.7Å; D42-R51 PolarHBondContact OD1-NH1 2.88Å; D42-R51 IonicContact OD1-NH2 3.41Å; D42-R51 IonicContact OD2-CZ 3.41Å; D42-R51 IonicContact OD2-NH1 3.76Å; D42-R51 PolarHBondContact OD2-NH1 3.18Å; D42-R51 IonicContact OD2-NH2 2.76Å; D42-R51 PolarHBondContact OD2-NH2 3.07Å
43	R	87.4	Confident	93.5	Very high	258 Å²	258	85.5 Å²	85.5	97%	0.974	41%	0.414	S	S	*	.	S	Bend	trans	-74	-18.5	175.4	-65.1	-176.6	173.2	-175.2	-2.4	113.5
44	S	90.9	Very high	93.6	Very high	58 Å²	58	89.2 Å²	89.2	41%	0.406	42%	0.424	S	S	.	.	S	Bend	trans	-152.4	158.3	-174.9	74.3	0	0	0	0	112	D42 A47 R48	D42-S44 VanDerWaalsContact C-N 3.28Å; D42-S44 PolarHBondContact O-N 3.01Å; S44-A47 PolarHBondContact O-N 2.84Å; S44-A47 WeakPolarHBondContact OG-CB 3.29Å; S44-A47 PolarHBondContact OG-N 2.79Å; S44-R48 PolarHBondContact O-N 3.16Å; S44-R48 VanDerWaalsContact O-N 3.1Å
45	V	90	Very high	93.7	Very high	91 Å²	91	86.1 Å²	86.1	55%	0.552	40%	0.404	S	S	*	.	H	α-helix	trans	-60.7	-43.2	176.7	173.6	0	0	0	0	112.4	A47 R48 F49	V45-A47 PolarHBondContact O-N 3.47Å; V45-R48 WeakPolarHBondContact O-CB 3.31Å; V45-R48 PolarHBondContact O-N 3.25Å; V45-F49 HydrophobicContact CG1-CD2 3.81Å; V45-F49 HydrophobicContact CG1-CE2 3.33Å; V45-F49 HydrophobicContact CG1-CZ 4.31Å; V45-F49 VanDerWaalsContact O-CD2 3.27Å; V45-F49 WeakPolarHBondContact O-CD2 3.45Å; V45-F49 PolarHBondContact O-N 2.64Å; V45-F49 VanDerWaalsContact O-N 3.15Å
46	P	95.1	Very high	93.8	Very high	94 Å²	94	86 Å²	86	61%	0.61	40%	0.404	S	S	*	.	H	α-helix	trans	-59.1	-42.6	173.9	-27.3	36.4	0	0	0	113.7	R48 F49 Q50	P46-R48 VanDerWaalsContact C-N 3.28Å; P46-R48 PolarHBondContact O-N 3Å; P46-F49 PolarHBondContact O-N 3.11Å; P46-F49 VanDerWaalsContact O-N 3.14Å; P46-Q50 PolarHBondContact O-N 2.85Å
47	A	96.4	Very high	93.9	Very high	32 Å²	32	85.2 Å²	85.2	26%	0.264	40%	0.4	S	S	.	.	H	α-helix	trans	-62.4	-37.7	177.4	0	0	0	0	0	111.7	D42 S44 V45 F49 Q50 R51	D42-A47 HydrophobicContact CB-CB 4.19Å; S44-A47 PolarHBondContact O-N 2.84Å; S44-A47 WeakPolarHBondContact OG-CB 3.29Å; S44-A47 PolarHBondContact OG-N 2.79Å; V45-A47 PolarHBondContact O-N 3.47Å; A47-F49 VanDerWaalsContact C-N 3.34Å; A47-F49 PolarHBondContact O-N 3.35Å; A47-Q50 PolarHBondContact O-N 3.33Å; A47-R51 PolarHBondContact O-N 3.03Å
48	R	95.3	Very high	94	Very high	96 Å²	96	90.5 Å²	90.5	36%	0.362	42%	0.419	S	S	.	.	H	α-helix	trans	-61.1	-40.4	173.8	-176	178.3	173.7	176.3	1.4	112.8	D42 S44 V45 P46 L52	D42-R48 HydrophobicContact CB-CB 4.04Å; D42-R48 VanDerWaalsContact CG-CA 3.47Å; D42-R48 VanDerWaalsContact OD2-CA 3.31Å; D42-R48 WeakPolarHBondContact OD2-CA 3.38Å; D42-R48 WeakPolarHBondContact OD2-CB 3.38Å; S44-R48 PolarHBondContact O-N 3.16Å; S44-R48 VanDerWaalsContact O-N 3.1Å; V45-R48 WeakPolarHBondContact O-CB 3.31Å; V45-R48 PolarHBondContact O-N 3.25Å; P46-R48 VanDerWaalsContact C-N 3.28Å; P46-R48 PolarHBondContact O-N 3Å; R48-L52 PolarHBondContact O-N 3.48Å; R48-L52 VanDerWaalsContact O-N 3.07Å
49	F	96.9	Very high	94.1	Very high	28 Å²	28	94.6 Å²	94.6	12%	0.123	43%	0.431	C	S	.	.	H	α-helix	trans	-73.7	-34.9	176.8	-71.7	-56.4	0	0	0	112.8	V45 P46 A47 L52 Q53 F137 E138 P139	V45-F49 HydrophobicContact CG1-CD2 3.81Å; V45-F49 HydrophobicContact CG1-CE2 3.33Å; V45-F49 HydrophobicContact CG1-CZ 4.31Å; V45-F49 VanDerWaalsContact O-CD2 3.27Å; V45-F49 WeakPolarHBondContact O-CD2 3.45Å; V45-F49 PolarHBondContact O-N 2.64Å; V45-F49 VanDerWaalsContact O-N 3.15Å; P46-F49 PolarHBondContact O-N 3.11Å; P46-F49 VanDerWaalsContact O-N 3.14Å; A47-F49 VanDerWaalsContact C-N 3.34Å; A47-F49 PolarHBondContact O-N 3.35Å; F49-L52 HydrophobicContact CD1-CD2 4.29Å; F49-L52 WeakPolarHBondContact O-CB 3.42Å; F49-L52 PolarHBondContact O-N 3.06Å; F49-Q53 PolarHBondContact O-N 3.02Å; F49-F137 WeakPolarHBondContact CG-O 3.39Å; F49-E138 WeakPolarHBondContact CE1-O 3.27Å; F49-P139 HydrophobicContact CE2-CG 3.84Å; F49-P139 HydrophobicContact CZ-CB 4.35Å; F49-P139 HydrophobicContact CZ-CG 3.96Å; F49-P139 VanDerWaalsContact CZ-N 3.32Å
50	Q	97.5	Very high	94.4	Very high	111 Å²	111	87.9 Å²	87.9	52%	0.519	41%	0.414	S	S	.	.	H	α-helix	trans	-60.4	-49.1	171.8	-178.3	-179.8	-8.1	0	0	111	P46 A47 L52 Q53 E54	P46-Q50 PolarHBondContact O-N 2.85Å; A47-Q50 PolarHBondContact O-N 3.33Å; Q50-L52 VanDerWaalsContact C-N 3.3Å; Q50-L52 PolarHBondContact O-N 2.86Å; Q50-Q53 WeakPolarHBondContact O-CA 3.23Å; Q50-Q53 WeakPolarHBondContact O-CB 3.45Å; Q50-Q53 PolarHBondContact O-N 3.31Å; Q50-E54 WeakPolarHBondContact CG-OE1 3.19Å; Q50-E54 PolarHBondContact NE2-OE1 3.12Å; Q50-E54 PolarHBondContact O-N 2.97Å
51	R	96.9	Very high	94.9	Very high	51 Å²	51	86.9 Å²	86.9	19%	0.192	41%	0.41	C	S	.	.	H	α-helix	trans	-59.1	-43.2	174.9	-175.7	179.9	66.2	-115	-11.7	111.4	R41 D42 A47 Q53 E54 D55	R41-R51 VanDerWaalsContact CB-NH1 3.25Å; D42-R51 IonicContact OD1-CZ 3.2Å; D42-R51 IonicContact OD1-NH1 3.7Å; D42-R51 PolarHBondContact OD1-NH1 2.88Å; D42-R51 IonicContact OD1-NH2 3.41Å; D42-R51 IonicContact OD2-CZ 3.41Å; D42-R51 IonicContact OD2-NH1 3.76Å; D42-R51 PolarHBondContact OD2-NH1 3.18Å; D42-R51 IonicContact OD2-NH2 2.76Å; D42-R51 PolarHBondContact OD2-NH2 3.07Å; A47-R51 PolarHBondContact O-N 3.03Å; R51-Q53 PolarHBondContact O-N 3.39Å; R51-E54 PolarHBondContact O-N 3.09Å; R51-D55 WeakPolarHBondContact CG-OD2 3.32Å; R51-D55 WeakPolarHBondContact O-CB 3.32Å; R51-D55 VanDerWaalsContact O-CG 3.25Å; R51-D55 PolarHBondContact O-N 2.53Å
52	L	97.2	Very high	95.4	Very high	3 Å²	3	79.2 Å²	79.2	2%	0.016	38%	0.381	C	S	.	.	H	α-helix	trans	-58.4	-35.9	176.3	177.2	63.1	0	0	0	111.9	R48 F49 Q50 F56 R62 F137 K153	R48-L52 PolarHBondContact O-N 3.48Å; R48-L52 VanDerWaalsContact O-N 3.07Å; F49-L52 HydrophobicContact CD1-CD2 4.29Å; F49-L52 WeakPolarHBondContact O-CB 3.42Å; F49-L52 PolarHBondContact O-N 3.06Å; Q50-L52 VanDerWaalsContact C-N 3.3Å; Q50-L52 PolarHBondContact O-N 2.86Å; L52-F56 WeakPolarHBondContact O-CB 3.27Å; L52-F56 PolarHBondContact O-N 3.22Å; L52-R62 HydrophobicContact CD1-CB 3.79Å; L52-F137 HydrophobicContact CB-CD1 4.36Å; L52-F137 HydrophobicContact CD2-CD1 4.06Å; L52-F137 HydrophobicContact CG-CD1 3.87Å; L52-F137 HydrophobicContact CG-CE1 4.07Å; L52-K153 HydrophobicContact CD2-CB 4.26Å
53	Q	97.9	Very high	95.7	Very high	85 Å²	85	81.1 Å²	81.1	40%	0.397	39%	0.386	S	S	.	.	H	α-helix	trans	-67.7	-48.7	175.2	-177.1	175.2	-5.7	0	0	112.3	F49 Q50 R51 D55 F56 E57 F137	F49-Q53 PolarHBondContact O-N 3.02Å; Q50-Q53 WeakPolarHBondContact O-CA 3.23Å; Q50-Q53 WeakPolarHBondContact O-CB 3.45Å; Q50-Q53 PolarHBondContact O-N 3.31Å; R51-Q53 PolarHBondContact O-N 3.39Å; Q53-D55 PolarHBondContact O-N 3.42Å; Q53-F56 WeakPolarHBondContact O-CB 3.34Å; Q53-F56 PolarHBondContact O-N 3Å; Q53-F56 VanDerWaalsContact O-N 3.15Å; Q53-E57 PolarHBondContact NE2-OE1 3.12Å; Q53-E57 WeakPolarHBondContact O-CG 3.21Å; Q53-E57 PolarHBondContact O-N 2.75Å; Q53-F137 HydrophobicContact CB-CD1 3.89Å; Q53-F137 HydrophobicContact CB-CD2 4.28Å; Q53-F137 HydrophobicContact CB-CE1 3.83Å; Q53-F137 HydrophobicContact CB-CE2 4.2Å; Q53-F137 HydrophobicContact CB-CG 4.12Å; Q53-F137 HydrophobicContact CB-CZ 3.97Å; Q53-F137 HydrophobicContact CG-CD2 4.23Å; Q53-F137 HydrophobicContact CG-CE1 4.29Å; Q53-F137 HydrophobicContact CG-CE2 3.87Å; Q53-F137 HydrophobicContact CG-CZ 3.9Å
54	E	97.4	Very high	96.3	Very high	103 Å²	103	69.3 Å²	69.3	48%	0.481	34%	0.342	S	S	.	.	H	α-helix	trans	-60.5	-44.6	177.7	-67.2	168.3	-172.3	0	0	111.7	Q50 R51 F56 E57 K58	Q50-E54 WeakPolarHBondContact CG-OE1 3.19Å; Q50-E54 PolarHBondContact NE2-OE1 3.12Å; Q50-E54 PolarHBondContact O-N 2.97Å; R51-E54 PolarHBondContact O-N 3.09Å; E54-F56 VanDerWaalsContact C-N 3.31Å; E54-F56 PolarHBondContact O-N 2.64Å; E54-E57 PolarHBondContact O-N 3.29Å; E54-K58 PolarHBondContact O-N 3.14Å
55	D	96	Very high	96.6	Very high	39 Å²	39	66.5 Å²	66.5	21%	0.209	32%	0.323	C	S	.	.	H	α-helix	trans	-63	-39.3	175.1	-70.3	-23	0	0	0	111.2	R51 Q53 K58 Y59 R62	R51-D55 WeakPolarHBondContact CG-OD2 3.32Å; R51-D55 WeakPolarHBondContact O-CB 3.32Å; R51-D55 VanDerWaalsContact O-CG 3.25Å; R51-D55 PolarHBondContact O-N 2.53Å; Q53-D55 PolarHBondContact O-N 3.42Å; D55-K58 PolarHBondContact O-N 3.46Å; D55-Y59 HydrophobicContact CB-CD2 4.37Å; D55-Y59 WeakPolarHBondContact O-CD2 3.5Å; D55-Y59 PolarHBondContact O-N 3.02Å; D55-R62 IonicContact OD2-CZ 3.97Å; D55-R62 IonicContact OD2-NH2 3.16Å; D55-R62 PolarHBondContact OD2-NH2 3.08Å
56	F	97.5	Very high	97.1	Very high	37 Å²	37	63.6 Å²	63.6	16%	0.162	30%	0.303	C	S	.	.	H	α-helix	trans	-66.5	-39.1	-179.8	-177.7	-89.9	0	0	0	112.5	L52 Q53 E54 K58 G60 M61 F137 K151 P152 K153	L52-F56 WeakPolarHBondContact O-CB 3.27Å; L52-F56 PolarHBondContact O-N 3.22Å; Q53-F56 WeakPolarHBondContact O-CB 3.34Å; Q53-F56 PolarHBondContact O-N 3Å; Q53-F56 VanDerWaalsContact O-N 3.15Å; E54-F56 VanDerWaalsContact C-N 3.31Å; E54-F56 PolarHBondContact O-N 2.64Å; F56-K58 VanDerWaalsContact C-N 3.27Å; F56-K58 PolarHBondContact O-N 2.79Å; F56-G60 WeakPolarHBondContact CA-O 3.49Å; F56-G60 WeakPolarHBondContact CD2-O 3.2Å; F56-G60 VanDerWaalsContact O-CA 3.22Å; F56-G60 WeakPolarHBondContact O-CA 3.47Å; F56-G60 PolarHBondContact O-N 3.1Å; F56-M61 HydrophobicContact CE2-CB 4.33Å; F56-F137 HydrophobicContact CB-CE1 3.84Å; F56-F137 HydrophobicContact CB-CZ 3.92Å; F56-F137 AromaticContact CD1-CZ 3.86Å; F56-F137 HydrophobicContact CD1-CZ 3.86Å; F56-F137 HydrophobicContact CG-CE1 4.15Å; F56-F137 AromaticContact CG-CZ 3.91Å; F56-F137 HydrophobicContact CG-CZ 3.91Å; F56-K151 HydrophobicContact CZ-CB 4.13Å; F56-P152 WeakPolarHBondContact CE2-O 3.32Å; F56-K153 HydrophobicContact CD1-CD 4.28Å; F56-K153 HydrophobicContact CD2-CB 4.45Å; F56-K153 HydrophobicContact CD2-CD 3.87Å; F56-K153 HydrophobicContact CE1-CD 4.17Å; F56-K153 HydrophobicContact CE2-CD 3.75Å; F56-K153 HydrophobicContact CG-CD 4.15Å; F56-K153 HydrophobicContact CZ-CD 3.92Å
57	E	96.8	Very high	97.2	Very high	143 Å²	143	59.1 Å²	59.1	67%	0.668	27%	0.274	S	S	*	.	H	α-helix	trans	-64.6	-33.6	174.8	-71.9	172.7	-168.4	0	0	111.8	Q53 E54	Q53-E57 PolarHBondContact NE2-OE1 3.12Å; Q53-E57 WeakPolarHBondContact O-CG 3.21Å; Q53-E57 PolarHBondContact O-N 2.75Å; E54-E57 PolarHBondContact O-N 3.29Å
58	K	95.7	Very high	97.3	Very high	150 Å²	150	57.6 Å²	57.6	65%	0.652	26%	0.262	S	S	*	.	H	α-helix	trans	-87.2	-41.5	-176.7	-170.4	173.4	177.3	-168.8	0	114.4	E54 D55 F56	E54-K58 PolarHBondContact O-N 3.14Å; D55-K58 PolarHBondContact O-N 3.46Å; F56-K58 VanDerWaalsContact C-N 3.27Å; F56-K58 PolarHBondContact O-N 2.79Å
59	Y	95	Very high	97.5	Very high	142 Å²	142	53 Å²	53	56%	0.557	24%	0.244	S	C	*	.	H	α-helix	trans	-122.4	-9	-169.2	-50.9	-66.9	0	0	0	113.6	D55	D55-Y59 HydrophobicContact CB-CD2 4.37Å; D55-Y59 WeakPolarHBondContact O-CD2 3.5Å; D55-Y59 PolarHBondContact O-N 3.02Å
60	G	96.4	Very high	97.6	Very high	29 Å²	29	51.9 Å²	51.9	30%	0.299	24%	0.24	S	C	.	.			trans	82.7	-153.8	-173.8	0	0	0	0	0	113.1	F56 R62	F56-G60 WeakPolarHBondContact CA-O 3.49Å; F56-G60 WeakPolarHBondContact CD2-O 3.2Å; F56-G60 VanDerWaalsContact O-CA 3.22Å; F56-G60 WeakPolarHBondContact O-CA 3.47Å; F56-G60 PolarHBondContact O-N 3.1Å; G60-R62 PolarHBondContact O-N 3.06Å
61	M	97.7	Very high	97.6	Very high	64 Å²	64	46.6 Å²	46.6	32%	0.315	22%	0.215	S	C	.	.	S	Bend	trans	-61.2	127.7	-172.9	-176.6	-177.8	72.3	0	0	112.4	F56 W133 P152 Q155	F56-M61 HydrophobicContact CE2-CB 4.33Å; M61-W133 HydrophobicContact CE-CZ3 3.92Å; M61-W133 HydrophobicContact SD-CE3 4.12Å; M61-W133 HydrophobicContact SD-CZ3 3.63Å; M61-P152 WeakPolarHBondContact CG-O 3.01Å; M61-P152 HydrophobicContact SD-CB 4.2Å; M61-P152 HydrophobicContact SD-CG 3.73Å; M61-Q155 HydrophobicContact CE-CB 3.76Å; M61-Q155 HydrophobicContact SD-CB 4.03Å
62	R	98	Very high	97.7	Very high	18 Å²	18	44.2 Å²	44.2	7%	0.068	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	137.6	171.7	178	178	-73.3	155.9	4.5	110.4	L52 D55 G60 E94 K153 E154 Q155	L52-R62 HydrophobicContact CD1-CB 3.79Å; D55-R62 IonicContact OD2-CZ 3.97Å; D55-R62 IonicContact OD2-NH2 3.16Å; D55-R62 PolarHBondContact OD2-NH2 3.08Å; G60-R62 PolarHBondContact O-N 3.06Å; R62-E94 HydrophobicContact CG-CG 4.08Å; R62-E94 IonicContact CZ-OE1 4Å; R62-E94 VanDerWaalsContact NE-CD 3.3Å; R62-E94 IonicContact NE-OE1 2.7Å; R62-E94 PolarHBondContact NE-OE1 2.78Å; R62-E94 IonicContact NE-OE2 3.57Å; R62-E94 IonicContact NH2-OE1 2.77Å; R62-K153 PolarHBondContact N-O 2.85Å; R62-E154 HydrophobicContact CB-CB 4.21Å; R62-E154 HydrophobicContact CB-CG 4.1Å; R62-E154 HydrophobicContact CG-CG 4.1Å; R62-E154 CarbonylContact O-C 3.55Å; R62-E154 VanDerWaalsContact O-CA 3.26Å; R62-E154 WeakPolarHBondContact O-CA 3.46Å; R62-Q155 PolarHBondContact O-N 3.05Å
63	R	98.3	Very high	97.7	Very high	72 Å²	72	47.5 Å²	47.5	27%	0.272	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.2	170.5	-62.9	172.3	65.2	-142.7	4.8	109	L95 E99 E101	R63-L95 HydrophobicContact CB-CB 4.3Å; R63-L95 HydrophobicContact CB-CD1 3.99Å; R63-L95 HydrophobicContact CB-CG 4.48Å; R63-L95 PolarHBondContact O-N 3.21Å; R63-E99 PolarHBondContact NH1-O 3.4Å; R63-E101 IonicContact NH2-OE1 3.33Å; R63-E101 PolarHBondContact NH2-OE1 2.95Å
64	S	98.6	Very high	97.6	Very high	9 Å²	9	52 Å²	52	6%	0.063	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	149.6	-178.2	-58.5	0	0	0	0	110.1	G93 E154 Q155 T156 R157	S64-G93 CarbonylContact C-O 3.53Å; S64-G93 VanDerWaalsContact CA-O 3.23Å; S64-G93 WeakPolarHBondContact CA-O 3.44Å; S64-G93 WeakPolarHBondContact CB-O 3.47Å; S64-E154 WeakPolarHBondContact CB-OE1 3.45Å; S64-E154 PolarHBondContact OG-OE1 3.3Å; S64-Q155 PolarHBondContact N-O 3.19Å; S64-T156 CarbonylContact O-C 3.59Å; S64-T156 VanDerWaalsContact O-CA 3.31Å; S64-T156 WeakPolarHBondContact O-CA 3.4Å; S64-R157 PolarHBondContact O-N 2.91Å
65	V	98.8	Very high	97.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.3	177.3	-63.2	0	0	0	0	110.4	G92 G93 L95 E101 L105 L108 R157 F159	V65-G92 CarbonylContact O-C 3.57Å; V65-G92 VanDerWaalsContact O-CA 3.22Å; V65-G92 WeakPolarHBondContact O-CA 3.1Å; V65-G93 PolarHBondContact N-O 3.06Å; V65-G93 PolarHBondContact O-N 3.36Å; V65-L95 HydrophobicContact CG1-CD1 3.92Å; V65-L95 HydrophobicContact CG1-CD2 4.1Å; V65-L95 HydrophobicContact CG1-CG 4.1Å; V65-L95 HydrophobicContact CG2-CD2 3.7Å; V65-L95 HydrophobicContact CG2-CG 4.3Å; V65-E101 HydrophobicContact CG1-CB 4.12Å; V65-L105 HydrophobicContact CB-CB 4.37Å; V65-L105 HydrophobicContact CB-CD1 4.26Å; V65-L105 HydrophobicContact CG2-CB 3.84Å; V65-L105 HydrophobicContact CG2-CD1 4.02Å; V65-L108 HydrophobicContact CG2-CD1 3.6Å; V65-R157 CarbonylContact C-O 3.53Å; V65-R157 WeakPolarHBondContact CA-O 3.34Å; V65-R157 HydrophobicContact CG1-CB 4.48Å; V65-F159 HydrophobicContact CB-CD2 4.35Å; V65-F159 HydrophobicContact CB-CE2 4.25Å; V65-F159 HydrophobicContact CG1-CD2 4.42Å; V65-F159 HydrophobicContact CG1-CE2 3.82Å
66	E	98.7	Very high	97.7	Very high	30 Å²	30	52.4 Å²	52.4	14%	0.14	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.7	176.4	-64.3	179.3	-178.9	0	0	109.6	L90 P91 R141 T156 R157 L158 F159	E66-L90 HydrophobicContact CB-CB 3.97Å; E66-L90 HydrophobicContact CB-CD1 4.31Å; E66-L90 HydrophobicContact CG-CB 4.37Å; E66-L90 VanDerWaalsContact OE2-CD1 3.32Å; E66-L90 WeakPolarHBondContact OE2-CD1 3.38Å; E66-P91 CarbonylContact C-O 3.59Å; E66-P91 WeakPolarHBondContact CA-O 3.15Å; E66-R141 IonicContact OE1-NH1 3.85Å; E66-T156 HydrophobicContact CG-CG2 3.95Å; E66-R157 PolarHBondContact N-O 2.88Å; E66-L158 HydrophobicContact CB-CD2 3.83Å; E66-L158 HydrophobicContact CG-CD2 4.44Å; E66-L158 WeakPolarHBondContact O-CA 3.46Å; E66-F159 PolarHBondContact O-N 2.82Å
67	G	98.7	Very high	97.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.2	178.7	0	0	0	0	0	111.6	P91 F159	G67-P91 PolarHBondContact N-O 3.1Å; G67-P91 WeakPolarHBondContact O-CD 3.05Å; G67-F159 CarbonylContact C-O 3.47Å; G67-F159 WeakPolarHBondContact CA-O 3.47Å
68	I	98.8	Very high	97.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	110.6	172.4	-46.5	-51.6	0	0	0	107.4	L70 V79 L90 I129 L158 F159 L160 I161 L199	I68-L70 HydrophobicContact CG2-CD2 4.1Å; I68-L70 HydrophobicContact CG2-CG 4.4Å; I68-V79 HydrophobicContact CG2-CG1 4.26Å; I68-L90 HydrophobicContact CD1-CD1 3.31Å; I68-L90 HydrophobicContact CD1-CD2 3.51Å; I68-L90 HydrophobicContact CD1-CG 3.99Å; I68-I129 HydrophobicContact CB-CD1 4.35Å; I68-I129 HydrophobicContact CG1-CD1 3.79Å; I68-I129 HydrophobicContact CG1-CG1 4.42Å; I68-L158 HydrophobicContact CD1-CB 4.48Å; I68-L158 HydrophobicContact CG1-CB 4.46Å; I68-F159 PolarHBondContact N-O 2.82Å; I68-L160 HydrophobicContact CB-CD1 4.32Å; I68-L160 HydrophobicContact CG2-CD1 4.36Å; I68-I161 PolarHBondContact O-N 3.16Å; I68-L199 HydrophobicContact CD1-CD1 4.05Å; I68-L199 HydrophobicContact CD1-CD2 3.73Å; I68-L199 HydrophobicContact CG1-CD2 4.07Å; I68-L199 HydrophobicContact CG2-CD1 4.34Å
69	L	98.5	Very high	98	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.8	-179.9	-54.6	-179.6	0	0	0	108.4	L80 P91 L113 W123 I161 L163	L69-L80 HydrophobicContact CB-CB 4.11Å; L69-L80 HydrophobicContact CB-CD1 4.13Å; L69-L80 HydrophobicContact CB-CG 4.36Å; L69-L80 HydrophobicContact CD1-CD1 4.43Å; L69-L80 PolarHBondContact O-N 3.14Å; L69-P91 HydrophobicContact CD1-CG 4.05Å; L69-P91 HydrophobicContact CG-CG 4.33Å; L69-L113 HydrophobicContact CD1-CD1 3.55Å; L69-W123 HydrophobicContact CD1-CZ3 4.38Å; L69-W123 HydrophobicContact CD2-CE3 4.5Å; L69-W123 HydrophobicContact CD2-CZ3 4.2Å; L69-I161 HydrophobicContact CD2-CB 3.52Å; L69-I161 HydrophobicContact CD2-CG1 3.82Å; L69-I161 HydrophobicContact CD2-CG2 3.77Å; L69-L163 HydrophobicContact CB-CD1 4.27Å; L69-L163 HydrophobicContact CB-CD2 4.45Å; L69-L163 HydrophobicContact CD2-CD2 3.79Å
70	L	98.5	Very high	98.2	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	136.6	-178.5	-62.5	-178.4	0	0	0	111.4	L24 I68 H78 V79 L160 L203 F208	L24-L70 HydrophobicContact CD1-CB 4.46Å; L24-L70 HydrophobicContact CD2-CB 3.33Å; L24-L70 HydrophobicContact CD2-CD1 4.01Å; L24-L70 HydrophobicContact CD2-CG 4.33Å; I68-L70 HydrophobicContact CG2-CD2 4.1Å; I68-L70 HydrophobicContact CG2-CG 4.4Å; L70-H78 WeakPolarHBondContact CA-O 3.17Å; L70-V79 HydrophobicContact CD2-CB 4.47Å; L70-V79 HydrophobicContact CD2-CG2 3.71Å; L70-L160 HydrophobicContact CD1-CD1 3.63Å; L70-L160 HydrophobicContact CG-CD1 3.82Å; L70-L203 HydrophobicContact CD1-CD1 4.23Å; L70-L203 HydrophobicContact CD1-CD2 4.08Å; L70-L203 HydrophobicContact CD2-CD1 3.94Å; L70-F208 HydrophobicContact CD1-CE1 3.71Å; L70-F208 HydrophobicContact CD1-CZ 4.06Å
71	V	98.4	Very high	98.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	178.5	169.1	-58.1	0	0	0	0	108.3	Y25 L27 Y30 H78 L80 L163 A179	Y25-V71 WeakPolarHBondContact O-CA 3.18Å; L27-V71 HydrophobicContact CB-CG2 4.25Å; L27-V71 HydrophobicContact CD1-CG2 4.09Å; Y30-V71 HydrophobicContact CD2-CG1 3.85Å; Y30-V71 HydrophobicContact CE2-CB 4.26Å; Y30-V71 HydrophobicContact CE2-CG1 3.43Å; Y30-V71 VanDerWaalsContact CE2-CG1 3.43Å; V71-H78 HydrophobicContact CG2-CB 3.96Å; V71-H78 PolarHBondContact N-O 2.96Å; V71-H78 PolarHBondContact O-N 2.87Å; V71-L80 HydrophobicContact CG1-CD1 3.97Å; V71-L80 HydrophobicContact CG1-CD2 4.27Å; V71-L80 HydrophobicContact CG1-CG 4.11Å; V71-L80 HydrophobicContact CG2-CD2 3.94Å; V71-L80 HydrophobicContact CG2-CG 4.36Å; V71-L163 HydrophobicContact CG1-CD1 3.82Å; V71-A179 HydrophobicContact CG2-CB 4.41Å
72	H	98.5	Very high	98.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	158.3	165.5	70.5	96.6	0	0	0	113.5	L24 Y25 P26 L27 L76 Y210 N211 D212	L24-H72 HydrophobicContact CB-CB 4.32Å; L24-H72 PolarHBondContact O-CD2 3.28Å; L24-H72 PolarHBondContact O-NE2 3.49Å; Y25-H72 VanDerWaalsContact C-NE2 3.35Å; Y25-H72 PolarHBondContact O-CD2 2.97Å; Y25-H72 PolarHBondContact O-N 3.23Å; P26-H72 CarbonylContact C-O 3.57Å; P26-H72 WeakPolarHBondContact CA-O 3.5Å; P26-H72 WeakPolarHBondContact CD-NE2 3.36Å; L27-H72 PolarHBondContact N-O 3.45Å; H72-L76 WeakPolarHBondContact CA-O 3.34Å; H72-L76 VanDerWaalsContact CB-O 3.23Å; H72-L76 WeakPolarHBondContact CB-O 3.38Å; H72-Y210 HydrophobicContact CB-CD1 3.63Å; H72-Y210 HydrophobicContact CB-CE1 3.94Å; H72-Y210 AromaticContact CD2-CD1 3.95Å; H72-Y210 AromaticContact CG-CD1 3.67Å; H72-N211 PolarHBondContact NE2-O 3.48Å; H72-D212 IonicContact CE1-OD1 2.74Å; H72-D212 PolarHBondContact CE1-OD1 2.99Å
73	E	97.9	Very high	98.2	Very high	73 Å²	73	28.4 Å²	28.4	34%	0.341	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.5	160.5	-67.7	-168.4	72	0	0	106.6	L27 N75 L76	L27-E73 HydrophobicContact CB-CG 3.78Å; L27-E73 HydrophobicContact CD2-CG 4.17Å; L27-E73 WeakPolarHBondContact CD2-OE2 3.42Å; E73-N75 VanDerWaalsContact C-N 3.32Å; E73-N75 PolarHBondContact O-N 3.14Å; E73-L76 PolarHBondContact N-O 3.12Å; E73-L76 VanDerWaalsContact N-O 3.13Å; E73-L76 VanDerWaalsContact O-CB 3.29Å; E73-L76 WeakPolarHBondContact O-CB 3.44Å; E73-L76 PolarHBondContact O-N 3.35Å
74	H	96.1	Very high	97.9	Very high	179 Å²	179	28 Å²	28	83%	0.829	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	47.2	-180	-48.2	103	0	0	0	113.7	L76	H74-L76 PolarHBondContact O-N 3.18Å; H74-L76 VanDerWaalsContact O-N 3.13Å
75	N	97.1	Very high	97.6	Very high	86 Å²	86	30.4 Å²	30.4	46%	0.46	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	24.5	-176.5	-57.4	-26	0	0	0	115.1	E73 Y210	E73-N75 VanDerWaalsContact C-N 3.32Å; E73-N75 PolarHBondContact O-N 3.14Å; N75-Y210 VanDerWaalsContact C-CE1 3.49Å; N75-Y210 HydrophobicContact CB-CD1 4.2Å; N75-Y210 HydrophobicContact CB-CD2 4.02Å; N75-Y210 HydrophobicContact CB-CE2 4.45Å; N75-Y210 HydrophobicContact CB-CG 3.89Å; N75-Y210 VanDerWaalsContact O-CE1 3.26Å; N75-Y210 WeakPolarHBondContact O-CE1 3.47Å; N75-Y210 PolarHBondContact O-OH 3.25Å; N75-Y210 WeakPolarHBondContact OD1-CB 3.48Å
76	L	98	Very high	97.2	Very high	65 Å²	65	35.8 Å²	35.8	34%	0.34	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127.5	171.7	-173.8	73.8	0	0	0	109.4	H72 E73 H74 H78 P181 F183	H72-L76 WeakPolarHBondContact CA-O 3.34Å; H72-L76 VanDerWaalsContact CB-O 3.23Å; H72-L76 WeakPolarHBondContact CB-O 3.38Å; E73-L76 PolarHBondContact N-O 3.12Å; E73-L76 VanDerWaalsContact N-O 3.13Å; E73-L76 VanDerWaalsContact O-CB 3.29Å; E73-L76 WeakPolarHBondContact O-CB 3.44Å; E73-L76 PolarHBondContact O-N 3.35Å; H74-L76 PolarHBondContact O-N 3.18Å; H74-L76 VanDerWaalsContact O-N 3.13Å; L76-H78 PolarHBondContact O-CE1 2.84Å; L76-H78 PolarHBondContact O-ND1 2.92Å; L76-P181 HydrophobicContact CD2-CB 3.77Å; L76-P181 HydrophobicContact CG-CB 4.48Å; L76-F183 HydrophobicContact CD2-CD1 3.84Å; L76-F183 HydrophobicContact CD2-CE1 3.68Å
77	P	98.5	Very high	96.9	Very high	11 Å²	11	41.7 Å²	41.7	7%	0.071	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	134.1	-178	30.2	-31.6	0	0	0	110.9	L24 L182 F208 Y210	L24-P77 HydrophobicContact CD1-CB 3.7Å; P77-L182 HydrophobicContact CB-CD1 3.9Å; P77-L182 HydrophobicContact CB-CG 4.09Å; P77-L182 HydrophobicContact CG-CB 4.35Å; P77-L182 HydrophobicContact CG-CD1 3.5Å; P77-L182 HydrophobicContact CG-CG 3.82Å; P77-L182 PolarHBondContact O-N 3.43Å; P77-F208 HydrophobicContact CB-CD2 3.97Å; P77-F208 HydrophobicContact CB-CE2 3.83Å; P77-F208 HydrophobicContact CB-CZ 4.46Å; P77-F208 HydrophobicContact CG-CD2 3.96Å; P77-F208 HydrophobicContact CG-CE2 3.82Å; P77-Y210 WeakPolarHBondContact CD-OH 3.48Å
78	H	98.7	Very high	96.9	Very high	15 Å²	15	44 Å²	44	7%	0.069	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.8	177.7	-66.2	64.6	0	0	0	110.1	L70 V71 L76 A179 A180 P181	L70-H78 WeakPolarHBondContact CA-O 3.17Å; V71-H78 HydrophobicContact CG2-CB 3.96Å; V71-H78 PolarHBondContact N-O 2.96Å; V71-H78 PolarHBondContact O-N 2.87Å; L76-H78 PolarHBondContact O-CE1 2.84Å; L76-H78 PolarHBondContact O-ND1 2.92Å; H78-A179 HydrophobicContact CB-CB 4.03Å; H78-A180 CarbonylContact C-O 3.6Å; H78-A180 VanDerWaalsContact CA-O 3.27Å; H78-A180 WeakPolarHBondContact CA-O 3.36Å; H78-P181 VanDerWaalsContact CD2-CA 3.49Å; H78-P181 WeakPolarHBondContact CD2-CA 3.48Å; H78-P181 VanDerWaalsContact CD2-N 3.29Å; H78-P181 WeakPolarHBondContact NE2-CB 3.47Å
79	V	98.7	Very high	96.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	129.4	171.9	-176.5	0	0	0	0	108.4	I68 L70 L81 L90 A180 L182 L185 L199	I68-V79 HydrophobicContact CG2-CG1 4.26Å; L70-V79 HydrophobicContact CD2-CB 4.47Å; L70-V79 HydrophobicContact CD2-CG2 3.71Å; V79-L81 HydrophobicContact CB-CD2 4.49Å; V79-L81 HydrophobicContact CG1-CD2 3.72Å; V79-L81 HydrophobicContact CG1-CG 4.21Å; V79-L81 PolarHBondContact O-N 3.24Å; V79-L90 HydrophobicContact CG1-CD2 4Å; V79-A180 PolarHBondContact N-O 3.03Å; V79-A180 PolarHBondContact O-N 2.94Å; V79-L182 HydrophobicContact CG2-CD2 3.64Å; V79-L185 HydrophobicContact CB-CD1 3.97Å; V79-L185 HydrophobicContact CG2-CD1 3.67Å; V79-L199 HydrophobicContact CG1-CD1 4.09Å; V79-L199 HydrophobicContact CG2-CD1 4.09Å
80	L	98.5	Very high	96.8	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	120.4	169.8	-59.2	178.3	0	0	0	109.8	L27 L69 V71 L163 F169 L177 V178 A179	L27-L80 HydrophobicContact CD1-CD2 3.96Å; L69-L80 HydrophobicContact CB-CB 4.11Å; L69-L80 HydrophobicContact CB-CD1 4.13Å; L69-L80 HydrophobicContact CB-CG 4.36Å; L69-L80 HydrophobicContact CD1-CD1 4.43Å; L69-L80 PolarHBondContact O-N 3.14Å; V71-L80 HydrophobicContact CG1-CD1 3.97Å; V71-L80 HydrophobicContact CG1-CD2 4.27Å; V71-L80 HydrophobicContact CG1-CG 4.11Å; V71-L80 HydrophobicContact CG2-CD2 3.94Å; V71-L80 HydrophobicContact CG2-CG 4.36Å; L80-L163 HydrophobicContact CD1-CD1 4.28Å; L80-F169 HydrophobicContact CD1-CE2 4.24Å; L80-L177 HydrophobicContact CB-CD1 4.28Å; L80-V178 CarbonylContact C-O 3.56Å; L80-V178 WeakPolarHBondContact CA-O 3.43Å; L80-A179 HydrophobicContact CD2-CB 3.99Å
81	L	98.5	Very high	96.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	145.4	-180	-59.2	176.4	0	0	0	110.8	V79 F88 L90 L177 V178 A180 L185 Y192 I196	V79-L81 HydrophobicContact CB-CD2 4.49Å; V79-L81 HydrophobicContact CG1-CD2 3.72Å; V79-L81 HydrophobicContact CG1-CG 4.21Å; V79-L81 PolarHBondContact O-N 3.24Å; L81-F88 HydrophobicContact CB-CD1 4.39Å; L81-F88 HydrophobicContact CD1-CB 4.35Å; L81-F88 HydrophobicContact CD1-CD1 4.44Å; L81-L90 HydrophobicContact CD2-CD2 3.59Å; L81-L90 HydrophobicContact CD2-CG 4.2Å; L81-L177 WeakPolarHBondContact O-CA 3.44Å; L81-V178 HydrophobicContact CB-CG2 3.81Å; L81-V178 PolarHBondContact N-O 3.46Å; L81-V178 PolarHBondContact O-N 3.4Å; L81-A180 HydrophobicContact CD1-CB 3.82Å; L81-L185 HydrophobicContact CD1-CD2 4.09Å; L81-Y192 HydrophobicContact CD1-CD1 3.82Å; L81-Y192 HydrophobicContact CD1-CE1 3.74Å; L81-I196 HydrophobicContact CD1-CG2 3.92Å; L81-I196 HydrophobicContact CD2-CD1 4.01Å; L81-I196 HydrophobicContact CD2-CG1 4.18Å; L81-I196 HydrophobicContact CD2-CG2 4.15Å
82	L	97.4	Very high	96.7	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	126	168.9	-67.8	167.3	0	0	0	109.3	F88 K89 P91 M112 L113 V171 Y175 L177	L82-F88 CarbonylContact O-C 3.53Å; L82-F88 WeakPolarHBondContact O-CA 3.18Å; L82-K89 HydrophobicContact CB-CG 3.93Å; L82-K89 PolarHBondContact N-O 2.61Å; L82-K89 PolarHBondContact O-N 2.82Å; L82-P91 HydrophobicContact CD1-CB 4.13Å; L82-M112 HydrophobicContact CD1-CE 4.42Å; L82-M112 HydrophobicContact CD1-CG 3.49Å; L82-M112 VanDerWaalsContact CD1-CG 3.49Å; L82-M112 HydrophobicContact CD1-SD 3.67Å; L82-L113 HydrophobicContact CD2-CD2 4.17Å; L82-V171 HydrophobicContact CD2-CG1 4.16Å; L82-Y175 HydrophobicContact CB-CD1 3.9Å; L82-Y175 HydrophobicContact CB-CE1 4.49Å; L82-Y175 HydrophobicContact CD2-CG 4.39Å; L82-L177 HydrophobicContact CD2-CD1 3.88Å; L82-L177 HydrophobicContact CG-CD1 4.38Å
83	Q	96.9	Very high	96.6	Very high	49 Å²	49	48.7 Å²	48.7	23%	0.229	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.9	176.7	-175.7	-174.5	7.3	0	0	110.6	G85 F87 F88 Y175 K176 V178	Q83-G85 WeakPolarHBondContact CG-O 3.37Å; Q83-G85 PolarHBondContact NE2-O 3.5Å; Q83-F87 CarbonylContact C-O 3.6Å; Q83-F87 WeakPolarHBondContact CA-O 3.27Å; Q83-F88 HydrophobicContact CB-CD1 3.88Å; Q83-F88 HydrophobicContact CB-CE1 3.75Å; Q83-F88 HydrophobicContact CG-CD1 4.05Å; Q83-F88 HydrophobicContact CG-CE1 3.62Å; Q83-F88 HydrophobicContact CG-CZ 4.11Å; Q83-Y175 WeakPolarHBondContact O-CA 3.36Å; Q83-K176 HydrophobicContact CB-CB 4.27Å; Q83-K176 PolarHBondContact N-O 3.22Å; Q83-K176 PolarHBondContact O-N 2.81Å; Q83-V178 HydrophobicContact CB-CG1 4.31Å
84	L	92.8	Very high	96.6	Very high	64 Å²	64	47.7 Å²	47.7	34%	0.335	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	103.8	172.1	-178.5	65.5	0	0	0	109.1	T86 F87 N174 Y175	L84-T86 PolarHBondContact O-N 2.82Å; L84-F87 PolarHBondContact N-O 2.99Å; L84-F87 PolarHBondContact O-N 2.89Å; L84-N174 VanDerWaalsContact CD1-O 3.27Å; L84-N174 WeakPolarHBondContact CD1-O 3.46Å; L84-Y175 HydrophobicContact CB-CD1 3.84Å; L84-Y175 HydrophobicContact CB-CE1 3.6Å; L84-Y175 HydrophobicContact CD1-CE1 4.4Å; L84-Y175 HydrophobicContact CD2-CE1 4.07Å; L84-Y175 HydrophobicContact CG-CE1 4.24Å
85	G	91.7	Very high	96.7	Very high	60 Å²	60	39.8 Å²	39.8	62%	0.619	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	-117.5	-170.5	0	0	0	0	0	110.9	Q83	Q83-G85 WeakPolarHBondContact CG-O 3.37Å; Q83-G85 PolarHBondContact NE2-O 3.5Å
86	T	90.9	Very high	96.7	Very high	113 Å²	113	40.4 Å²	40.4	69%	0.693	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.8	177.5	54.8	0	0	0	0	113.8	L84	L84-T86 PolarHBondContact O-N 2.82Å
87	F	92.8	Very high	96.5	Very high	153 Å²	153	42.5 Å²	42.5	67%	0.671	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	137.8	-175.7	-63	-82.4	0	0	0	111.5	Q83 L84	Q83-F87 CarbonylContact C-O 3.6Å; Q83-F87 WeakPolarHBondContact CA-O 3.27Å; L84-F87 PolarHBondContact N-O 2.99Å; L84-F87 PolarHBondContact O-N 2.89Å
88	F	97	Very high	96.3	Very high	49 Å²	49	45.5 Å²	45.5	22%	0.215	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	141.5	172	-61.2	-82.9	0	0	0	110.3	L81 L82 Q83 V178 Y192 I196	L81-F88 HydrophobicContact CB-CD1 4.39Å; L81-F88 HydrophobicContact CD1-CB 4.35Å; L81-F88 HydrophobicContact CD1-CD1 4.44Å; L82-F88 CarbonylContact O-C 3.53Å; L82-F88 WeakPolarHBondContact O-CA 3.18Å; Q83-F88 HydrophobicContact CB-CD1 3.88Å; Q83-F88 HydrophobicContact CB-CE1 3.75Å; Q83-F88 HydrophobicContact CG-CD1 4.05Å; Q83-F88 HydrophobicContact CG-CE1 3.62Å; Q83-F88 HydrophobicContact CG-CZ 4.11Å; F88-V178 HydrophobicContact CD1-CG2 4.03Å; F88-V178 HydrophobicContact CE1-CG2 3.84Å; F88-Y192 HydrophobicContact CB-CD1 3.97Å; F88-Y192 HydrophobicContact CB-CE1 4.29Å; F88-Y192 HydrophobicContact CD1-CE1 4.06Å; F88-Y192 AromaticContact CD2-CD1 3.77Å; F88-Y192 HydrophobicContact CD2-CD1 3.77Å; F88-Y192 AromaticContact CD2-CE1 3.63Å; F88-Y192 HydrophobicContact CD2-CE1 3.63Å; F88-Y192 HydrophobicContact CE1-CE1 4.3Å; F88-Y192 HydrophobicContact CE2-CD1 4.43Å; F88-Y192 AromaticContact CE2-CE1 3.89Å; F88-Y192 HydrophobicContact CE2-CE1 3.89Å; F88-Y192 AromaticContact CG-CD1 3.85Å; F88-Y192 HydrophobicContact CG-CD1 3.85Å; F88-Y192 AromaticContact CG-CE1 3.71Å; F88-Y192 HydrophobicContact CG-CE1 3.71Å; F88-Y192 HydrophobicContact CZ-CE1 4.21Å; F88-I196 HydrophobicContact CB-CD1 4.2Å
89	K	96.5	Very high	96.2	Very high	54 Å²	54	46.1 Å²	46.1	24%	0.235	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	155.5	172.7	70.6	178.8	-173	179.3	0	111.7	E40 L82 Y175	E40-K89 IonicContact OE1-NZ 3.83Å; E40-K89 PolarHBondContact OE1-NZ 3.42Å; L82-K89 HydrophobicContact CB-CG 3.93Å; L82-K89 PolarHBondContact N-O 2.61Å; L82-K89 PolarHBondContact O-N 2.82Å; K89-Y175 HydrophobicContact CD-CE1 4.36Å; K89-Y175 VanDerWaalsContact CE-CE1 3.41Å; K89-Y175 PolarHBondContact NZ-OH 2.86Å
90	L	98.3	Very high	96.2	Very high	6 Å²	6	51.9 Å²	51.9	3%	0.031	31%	0.305	C	S	.	.			trans	-78.8	148	167.9	-68.3	161.6	0	0	0	109.7	E66 I68 V79 L81 I195 I196 L199	E66-L90 HydrophobicContact CB-CB 3.97Å; E66-L90 HydrophobicContact CB-CD1 4.31Å; E66-L90 HydrophobicContact CG-CB 4.37Å; E66-L90 VanDerWaalsContact OE2-CD1 3.32Å; E66-L90 WeakPolarHBondContact OE2-CD1 3.38Å; I68-L90 HydrophobicContact CD1-CD1 3.31Å; I68-L90 HydrophobicContact CD1-CD2 3.51Å; I68-L90 HydrophobicContact CD1-CG 3.99Å; V79-L90 HydrophobicContact CG1-CD2 4Å; L81-L90 HydrophobicContact CD2-CD2 3.59Å; L81-L90 HydrophobicContact CD2-CG 4.2Å; L90-I195 HydrophobicContact CD1-CG2 4.06Å; L90-I196 HydrophobicContact CD1-CG1 4.08Å; L90-I196 HydrophobicContact CG-CD1 4.48Å; L90-I196 HydrophobicContact CG-CG1 3.98Å; L90-L199 HydrophobicContact CD1-CD1 4.47Å; L90-L199 HydrophobicContact CD2-CD1 4.29Å
91	P	97.5	Very high	96.2	Very high	2 Å²	2	53 Å²	53	1%	0.013	31%	0.311	C	S	.	.	S	Bend	trans	-67.4	141.5	170.6	31.7	-36.3	0	0	0	110	E66 G67 L69 L82 L109 M112 L113	E66-P91 CarbonylContact C-O 3.59Å; E66-P91 WeakPolarHBondContact CA-O 3.15Å; G67-P91 PolarHBondContact N-O 3.1Å; G67-P91 WeakPolarHBondContact O-CD 3.05Å; L69-P91 HydrophobicContact CD1-CG 4.05Å; L69-P91 HydrophobicContact CG-CG 4.33Å; L82-P91 HydrophobicContact CD1-CB 4.13Å; P91-L109 HydrophobicContact CB-CD2 3.72Å; P91-L109 HydrophobicContact CG-CD2 3.78Å; P91-M112 HydrophobicContact CB-CG 4.16Å; P91-L113 HydrophobicContact CB-CD1 3.89Å; P91-L113 HydrophobicContact CB-CG 4.46Å; P91-L113 HydrophobicContact CG-CD1 4.02Å
92	G	97.6	Very high	96.2	Very high	16 Å²	16	56.2 Å²	56.2	17%	0.165	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.3	-161.1	-172.1	0	0	0	0	0	111.4	V65	V65-G92 CarbonylContact O-C 3.57Å; V65-G92 VanDerWaalsContact O-CA 3.22Å; V65-G92 WeakPolarHBondContact O-CA 3.1Å
93	G	96.9	Very high	96.2	Very high	25 Å²	25	62.5 Å²	62.5	26%	0.258	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	160.2	-160.8	-178.1	0	0	0	0	0	114	S64 V65	S64-G93 CarbonylContact C-O 3.53Å; S64-G93 VanDerWaalsContact CA-O 3.23Å; S64-G93 WeakPolarHBondContact CA-O 3.44Å; S64-G93 WeakPolarHBondContact CB-O 3.47Å; V65-G93 PolarHBondContact N-O 3.06Å; V65-G93 PolarHBondContact O-N 3.36Å
94	E	97.4	Very high	96.3	Very high	52 Å²	52	60.2 Å²	60.2	24%	0.243	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	136.2	-178.5	174.5	173.3	-144.2	0	0	111.3	R41 R62	R41-E94 IonicContact NH1-OE2 2.68Å; R41-E94 PolarHBondContact NH1-OE2 2.88Å; R62-E94 HydrophobicContact CG-CG 4.08Å; R62-E94 IonicContact CZ-OE1 4Å; R62-E94 VanDerWaalsContact NE-CD 3.3Å; R62-E94 IonicContact NE-OE1 2.7Å; R62-E94 PolarHBondContact NE-OE1 2.78Å; R62-E94 IonicContact NE-OE2 3.57Å; R62-E94 IonicContact NH2-OE1 2.77Å
95	L	98.4	Very high	96.5	Very high	12 Å²	12	57.2 Å²	57.2	6%	0.063	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-80.2	147.6	171.3	-64.1	-179.3	0	0	0	110.6	R63 V65 E99 E101 L108	R63-L95 HydrophobicContact CB-CB 4.3Å; R63-L95 HydrophobicContact CB-CD1 3.99Å; R63-L95 HydrophobicContact CB-CG 4.48Å; R63-L95 PolarHBondContact O-N 3.21Å; V65-L95 HydrophobicContact CG1-CD1 3.92Å; V65-L95 HydrophobicContact CG1-CD2 4.1Å; V65-L95 HydrophobicContact CG1-CG 4.1Å; V65-L95 HydrophobicContact CG2-CD2 3.7Å; V65-L95 HydrophobicContact CG2-CG 4.3Å; L95-E99 WeakPolarHBondContact CA-OE2 3.31Å; L95-E99 HydrophobicContact CB-CB 4.39Å; L95-E99 HydrophobicContact CD2-CG 4.46Å; L95-E101 HydrophobicContact CD1-CB 4.4Å; L95-E101 HydrophobicContact CD1-CG 3.99Å; L95-L108 HydrophobicContact CD2-CD1 4.39Å
96	H	96.8	Very high	96.9	Very high	99 Å²	99	57.8 Å²	57.8	46%	0.458	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-67.6	156.7	168.6	-56.2	122	0	0	0	111.2	G98 E99 R107	H96-G98 PolarHBondContact O-N 3.43Å; H96-G98 VanDerWaalsContact O-N 3.17Å; H96-E99 HydrophobicContact CB-CB 3.98Å; H96-E99 IonicContact CE1-OE1 2.85Å; H96-E99 IonicContact CG-OE2 2.77Å; H96-E99 PolarHBondContact N-OE2 2.9Å; H96-E99 IonicContact ND1-OE1 2.87Å; H96-E99 PolarHBondContact ND1-OE1 3.06Å; H96-E99 VanDerWaalsContact ND1-OE1 3.16Å; H96-E99 IonicContact ND1-OE2 3.66Å; H96-E99 PolarHBondContact ND1-OE2 2.93Å; H96-E99 VanDerWaalsContact O-CB 3.28Å; H96-E99 WeakPolarHBondContact O-CB 3.39Å; H96-E99 PolarHBondContact O-N 2.66Å; H96-R107 PolarHBondContact CE1-NE 3.38Å; H96-R107 PolarHBondContact CE1-NH2 2.83Å; H96-R107 PolarHBondContact ND1-NH2 2.78Å
97	P	93.9	Very high	97.2	Very high	110 Å²	110	55.1 Å²	55.1	71%	0.714	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	123.1	172.7	-25.9	35.2	0	0	0	111.5	E99	P97-E99 VanDerWaalsContact C-N 3.25Å; P97-E99 PolarHBondContact O-N 2.79Å
98	G	94.1	Very high	97.4	Very high	73 Å²	73	48.6 Å²	48.6	75%	0.753	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	0.9	-178.7	0	0	0	0	0	115.6	H96	H96-G98 PolarHBondContact O-N 3.43Å; H96-G98 VanDerWaalsContact O-N 3.17Å
99	E	97.6	Very high	97.5	Very high	29 Å²	29	46.2 Å²	46.2	14%	0.136	25%	0.254	C	S	.	.			trans	-71.3	137.6	177.8	-172.3	175.1	-130.3	0	0	111.4	R63 L95 H96 P97 G104 R107	R63-E99 PolarHBondContact NH1-O 3.4Å; L95-E99 WeakPolarHBondContact CA-OE2 3.31Å; L95-E99 HydrophobicContact CB-CB 4.39Å; L95-E99 HydrophobicContact CD2-CG 4.46Å; H96-E99 HydrophobicContact CB-CB 3.98Å; H96-E99 IonicContact CE1-OE1 2.85Å; H96-E99 IonicContact CG-OE2 2.77Å; H96-E99 PolarHBondContact N-OE2 2.9Å; H96-E99 IonicContact ND1-OE1 2.87Å; H96-E99 PolarHBondContact ND1-OE1 3.06Å; H96-E99 VanDerWaalsContact ND1-OE1 3.16Å; H96-E99 IonicContact ND1-OE2 3.66Å; H96-E99 PolarHBondContact ND1-OE2 2.93Å; H96-E99 VanDerWaalsContact O-CB 3.28Å; H96-E99 WeakPolarHBondContact O-CB 3.39Å; H96-E99 PolarHBondContact O-N 2.66Å; P97-E99 VanDerWaalsContact C-N 3.25Å; P97-E99 PolarHBondContact O-N 2.79Å; E99-G104 VanDerWaalsContact CD-CA 3.43Å; E99-R107 IonicContact OE1-CZ 3.75Å; E99-R107 IonicContact OE1-NE 3.55Å; E99-R107 PolarHBondContact OE1-NE 3.24Å; E99-R107 IonicContact OE1-NH2 3.27Å; E99-R107 PolarHBondContact OE1-NH2 2.9Å; E99-R107 IonicContact OE2-CZ 3.97Å; E99-R107 IonicContact OE2-NE 3.03Å; E99-R107 IonicContact OE2-NH2 2.8Å; E99-R107 PolarHBondContact OE2-NH2 2.77Å
100	E	98.1	Very high	97.4	Very high	120 Å²	120	45.8 Å²	45.8	56%	0.561	26%	0.258	S	S	*	.			trans	-73.4	144.1	174.9	-74.1	-58.1	152.7	0	0	111.3	I102 E103 G104	E100-I102 VanDerWaalsContact C-N 3.35Å; E100-I102 PolarHBondContact O-N 3.47Å; E100-E103 HydrophobicContact CB-CB 4.4Å; E100-E103 HydrophobicContact CB-CG 4.24Å; E100-E103 PolarHBondContact O-N 2.93Å; E100-G104 PolarHBondContact O-N 2.96Å
101	E	98.4	Very high	97.3	Very high	27 Å²	27	50.5 Å²	50.5	13%	0.126	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-41.6	-167.5	-59.9	-179.7	163	0	0	112.4	R63 V65 L95 L105 R157 F159	R63-E101 IonicContact NH2-OE1 3.33Å; R63-E101 PolarHBondContact NH2-OE1 2.95Å; V65-E101 HydrophobicContact CG1-CB 4.12Å; L95-E101 HydrophobicContact CD1-CB 4.4Å; L95-E101 HydrophobicContact CD1-CG 3.99Å; E101-L105 WeakPolarHBondContact O-CB 3.49Å; E101-L105 PolarHBondContact O-N 3.07Å; E101-R157 VanDerWaalsContact CD-CD 3.4Å; E101-R157 VanDerWaalsContact OE1-CD 3.27Å; E101-R157 WeakPolarHBondContact OE1-CD 3.36Å; E101-R157 IonicContact OE1-CZ 3.14Å; E101-R157 IonicContact OE1-NE 2.65Å; E101-R157 IonicContact OE1-NH1 3.43Å; E101-R157 PolarHBondContact OE1-NH1 2.7Å; E101-R157 WeakPolarHBondContact OE2-CD 3.19Å; E101-R157 IonicContact OE2-CZ 2.99Å; E101-R157 IonicContact OE2-NE 3.65Å; E101-R157 IonicContact OE2-NH1 3.68Å; E101-R157 PolarHBondContact OE2-NH1 3.29Å; E101-F159 HydrophobicContact CB-CE2 4.21Å; E101-F159 HydrophobicContact CB-CZ 3.94Å
102	I	98.3	Very high	97.2	Very high	67 Å²	67	51 Å²	51	34%	0.344	28%	0.282	S	S	.	.	H	α-helix	trans	-70.3	-43.7	-179.8	-62.6	-51.9	0	0	0	110.9	E100 L105 K106 P125 F159	E100-I102 VanDerWaalsContact C-N 3.35Å; E100-I102 PolarHBondContact O-N 3.47Å; I102-L105 PolarHBondContact O-N 2.66Å; I102-K106 WeakPolarHBondContact O-CG 3.24Å; I102-K106 PolarHBondContact O-N 3.14Å; I102-P125 HydrophobicContact CD1-CB 3.83Å; I102-P125 HydrophobicContact CD1-CG 3.93Å; I102-P125 HydrophobicContact CG2-CG 3.65Å; I102-F159 HydrophobicContact CD1-CD1 3.77Å; I102-F159 HydrophobicContact CD1-CE1 3.49Å; I102-F159 VanDerWaalsContact CD1-CE1 3.49Å; I102-F159 HydrophobicContact CD1-CZ 4.02Å
103	E	98	Very high	97.1	Very high	133 Å²	133	50.3 Å²	50.3	62%	0.621	27%	0.274	S	S	*	.	H	α-helix	trans	-63.3	-48.3	178.9	-64	-174.4	161.9	0	0	111.1	E100 L105 K106 R107	E100-E103 HydrophobicContact CB-CB 4.4Å; E100-E103 HydrophobicContact CB-CG 4.24Å; E100-E103 PolarHBondContact O-N 2.93Å; E103-L105 VanDerWaalsContact C-N 3.33Å; E103-L105 PolarHBondContact O-N 2.99Å; E103-K106 PolarHBondContact O-N 2.9Å; E103-R107 PolarHBondContact O-N 2.9Å
104	G	98.5	Very high	97	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.7	-37.6	176.4	0	0	0	0	0	112.6	E99 E100 R107 L108	E99-G104 VanDerWaalsContact CD-CA 3.43Å; E100-G104 PolarHBondContact O-N 2.96Å; G104-R107 PolarHBondContact O-N 2.81Å; G104-L108 WeakPolarHBondContact O-CB 3.33Å; G104-L108 WeakPolarHBondContact O-CD1 3.05Å; G104-L108 WeakPolarHBondContact O-CG 3.34Å; G104-L108 PolarHBondContact O-N 2.85Å
105	L	98.7	Very high	96.8	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-49.1	173.5	178.4	64.7	0	0	0	111.6	V65 E101 I102 E103 R107 L108 L109 F159 I161	V65-L105 HydrophobicContact CB-CB 4.37Å; V65-L105 HydrophobicContact CB-CD1 4.26Å; V65-L105 HydrophobicContact CG2-CB 3.84Å; V65-L105 HydrophobicContact CG2-CD1 4.02Å; E101-L105 WeakPolarHBondContact O-CB 3.49Å; E101-L105 PolarHBondContact O-N 3.07Å; I102-L105 PolarHBondContact O-N 2.66Å; E103-L105 VanDerWaalsContact C-N 3.33Å; E103-L105 PolarHBondContact O-N 2.99Å; L105-R107 VanDerWaalsContact C-N 3.28Å; L105-R107 PolarHBondContact O-N 2.83Å; L105-L108 PolarHBondContact O-N 3.45Å; L105-L109 HydrophobicContact CD1-CD1 3.99Å; L105-L109 HydrophobicContact CD1-CD2 4.41Å; L105-L109 HydrophobicContact CD1-CG 3.95Å; L105-L109 HydrophobicContact CG-CD1 3.96Å; L105-L109 HydrophobicContact CG-CG 4.28Å; L105-L109 WeakPolarHBondContact O-CB 3.45Å; L105-L109 VanDerWaalsContact O-CG 3.27Å; L105-L109 WeakPolarHBondContact O-CG 3.3Å; L105-L109 PolarHBondContact O-N 2.86Å; L105-F159 HydrophobicContact CD2-CB 3.41Å; L105-F159 VanDerWaalsContact CD2-CB 3.41Å; L105-F159 HydrophobicContact CD2-CD2 3.75Å; L105-F159 HydrophobicContact CD2-CG 3.65Å; L105-I161 HydrophobicContact CD2-CD1 3.72Å
106	K	98.2	Very high	96.4	Very high	72 Å²	72	55 Å²	55	31%	0.313	30%	0.295	S	S	.	.	H	α-helix	trans	-59.8	-40.8	178.2	-67.8	-166.3	-179.6	-150.6	0	111.5	I102 E103 S110 D122 W123	I102-K106 WeakPolarHBondContact O-CG 3.24Å; I102-K106 PolarHBondContact O-N 3.14Å; E103-K106 PolarHBondContact O-N 2.9Å; K106-S110 WeakPolarHBondContact O-CB 3.4Å; K106-S110 PolarHBondContact O-N 2.9Å; K106-S110 PolarHBondContact O-OG 2.96Å; K106-D122 IonicContact NZ-OD1 2.61Å; K106-W123 WeakPolarHBondContact CE-O 3.43Å; K106-W123 HydrophobicContact CG-CB 4.09Å; K106-W123 PolarHBondContact NZ-O 2.97Å
107	R	97.5	Very high	96.1	Very high	57 Å²	57	54.2 Å²	54.2	22%	0.215	30%	0.295	C	S	.	.	H	α-helix	trans	-61.5	-53.2	174.9	179.2	-176.4	56.7	68.5	2.7	111.1	H96 E99 E103 G104 L105 L109 S110 E111	H96-R107 PolarHBondContact CE1-NE 3.38Å; H96-R107 PolarHBondContact CE1-NH2 2.83Å; H96-R107 PolarHBondContact ND1-NH2 2.78Å; E99-R107 IonicContact OE1-CZ 3.75Å; E99-R107 IonicContact OE1-NE 3.55Å; E99-R107 PolarHBondContact OE1-NE 3.24Å; E99-R107 IonicContact OE1-NH2 3.27Å; E99-R107 PolarHBondContact OE1-NH2 2.9Å; E99-R107 IonicContact OE2-CZ 3.97Å; E99-R107 IonicContact OE2-NE 3.03Å; E99-R107 IonicContact OE2-NH2 2.8Å; E99-R107 PolarHBondContact OE2-NH2 2.77Å; E103-R107 PolarHBondContact O-N 2.9Å; G104-R107 PolarHBondContact O-N 2.81Å; L105-R107 VanDerWaalsContact C-N 3.28Å; L105-R107 PolarHBondContact O-N 2.83Å; R107-L109 PolarHBondContact O-N 3.01Å; R107-S110 WeakPolarHBondContact O-CB 3.47Å; R107-S110 PolarHBondContact O-N 2.92Å; R107-S110 VanDerWaalsContact O-N 3.13Å; R107-E111 WeakPolarHBondContact CD-OE1 3.4Å; R107-E111 HydrophobicContact CG-CG 4.43Å; R107-E111 WeakPolarHBondContact CG-OE1 3.48Å; R107-E111 IonicContact CZ-OE1 3.25Å; R107-E111 IonicContact NH1-OE1 3.05Å; R107-E111 PolarHBondContact NH1-OE1 3.04Å; R107-E111 IonicContact NH1-OE2 3.42Å; R107-E111 PolarHBondContact NH1-OE2 3.08Å; R107-E111 WeakPolarHBondContact O-CG 3.35Å; R107-E111 PolarHBondContact O-N 3.03Å
108	L	98	Very high	95.7	Very high	16 Å²	16	52.2 Å²	52.2	8%	0.084	29%	0.294	C	S	.	.	H	α-helix	trans	-62.6	-39.7	-178.5	-71.6	161.9	0	0	0	112.5	V65 L95 G104 L105 M112	V65-L108 HydrophobicContact CG2-CD1 3.6Å; L95-L108 HydrophobicContact CD2-CD1 4.39Å; G104-L108 WeakPolarHBondContact O-CB 3.33Å; G104-L108 WeakPolarHBondContact O-CD1 3.05Å; G104-L108 WeakPolarHBondContact O-CG 3.34Å; G104-L108 PolarHBondContact O-N 2.85Å; L105-L108 PolarHBondContact O-N 3.45Å; L108-M112 WeakPolarHBondContact O-CB 3.32Å; L108-M112 PolarHBondContact O-N 2.87Å
109	L	97.8	Very high	95.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.5	-39.4	173.9	-68.6	179.3	0	0	0	111.6	P91 L105 R107 M112 L113 G114 W123 I161	P91-L109 HydrophobicContact CB-CD2 3.72Å; P91-L109 HydrophobicContact CG-CD2 3.78Å; L105-L109 HydrophobicContact CD1-CD1 3.99Å; L105-L109 HydrophobicContact CD1-CD2 4.41Å; L105-L109 HydrophobicContact CD1-CG 3.95Å; L105-L109 HydrophobicContact CG-CD1 3.96Å; L105-L109 HydrophobicContact CG-CG 4.28Å; L105-L109 WeakPolarHBondContact O-CB 3.45Å; L105-L109 VanDerWaalsContact O-CG 3.27Å; L105-L109 WeakPolarHBondContact O-CG 3.3Å; L105-L109 PolarHBondContact O-N 2.86Å; R107-L109 PolarHBondContact O-N 3.01Å; L109-M112 PolarHBondContact O-N 2.88Å; L109-L113 WeakPolarHBondContact O-CA 3.4Å; L109-L113 PolarHBondContact O-N 3.41Å; L109-G114 PolarHBondContact O-N 3.25Å; L109-W123 HydrophobicContact CB-CD2 3.76Å; L109-W123 HydrophobicContact CB-CE3 4.36Å; L109-W123 HydrophobicContact CB-CG 4.03Å; L109-W123 HydrophobicContact CB-CH2 4.44Å; L109-W123 HydrophobicContact CB-CZ2 3.91Å; L109-W123 HydrophobicContact CD1-CB 4.19Å; L109-W123 HydrophobicContact CD1-CD2 3.9Å; L109-W123 HydrophobicContact CD1-CE3 4Å; L109-W123 HydrophobicContact CD1-CG 3.99Å; L109-W123 HydrophobicContact CG-CD2 4.48Å; L109-I161 HydrophobicContact CD1-CD1 4.1Å; L109-I161 HydrophobicContact CD1-CG1 3.9Å
110	S	96.4	Very high	95.2	Very high	45 Å²	45	57.1 Å²	57.1	32%	0.315	31%	0.31	S	S	.	.	H	α-helix	trans	-67.3	-44.3	175.6	-57.4	0	0	0	0	112	K106 R107 M112 G114 W123	K106-S110 WeakPolarHBondContact O-CB 3.4Å; K106-S110 PolarHBondContact O-N 2.9Å; K106-S110 PolarHBondContact O-OG 2.96Å; R107-S110 WeakPolarHBondContact O-CB 3.47Å; R107-S110 PolarHBondContact O-N 2.92Å; R107-S110 VanDerWaalsContact O-N 3.13Å; S110-M112 VanDerWaalsContact C-N 3.27Å; S110-M112 PolarHBondContact O-N 2.87Å; S110-G114 WeakPolarHBondContact O-CA 3.37Å; S110-G114 PolarHBondContact O-N 2.9Å; S110-W123 PolarHBondContact OG-NE1 3.27Å
111	E	94.8	Very high	94.9	Very high	105 Å²	105	52 Å²	52	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-59.6	-38.5	173.7	-74.6	171.9	-165.1	0	0	111.4	K35 R107	K35-E111 WeakPolarHBondContact CE-O 3.49Å; K35-E111 PolarHBondContact NZ-O 3.17Å; R107-E111 WeakPolarHBondContact CD-OE1 3.4Å; R107-E111 HydrophobicContact CG-CG 4.43Å; R107-E111 WeakPolarHBondContact CG-OE1 3.48Å; R107-E111 IonicContact CZ-OE1 3.25Å; R107-E111 IonicContact NH1-OE1 3.05Å; R107-E111 PolarHBondContact NH1-OE1 3.04Å; R107-E111 IonicContact NH1-OE2 3.42Å; R107-E111 PolarHBondContact NH1-OE2 3.08Å; R107-E111 WeakPolarHBondContact O-CG 3.35Å; R107-E111 PolarHBondContact O-N 3.03Å
112	M	95.2	Very high	94.6	Very high	13 Å²	13	55.7 Å²	55.7	6%	0.064	31%	0.307	C	S	.	.	H	α-helix	trans	-84.8	-42.7	-176.2	-169.1	62.2	69.2	0	0	113.8	K35 N38 L82 P91 L108 L109 S110 P172	K35-M112 WeakPolarHBondContact CE-O 3.18Å; K35-M112 PolarHBondContact NZ-O 2.65Å; N38-M112 WeakPolarHBondContact ND2-CE 3.45Å; L82-M112 HydrophobicContact CD1-CE 4.42Å; L82-M112 HydrophobicContact CD1-CG 3.49Å; L82-M112 VanDerWaalsContact CD1-CG 3.49Å; L82-M112 HydrophobicContact CD1-SD 3.67Å; P91-M112 HydrophobicContact CB-CG 4.16Å; L108-M112 WeakPolarHBondContact O-CB 3.32Å; L108-M112 PolarHBondContact O-N 2.87Å; L109-M112 PolarHBondContact O-N 2.88Å; S110-M112 VanDerWaalsContact C-N 3.27Å; S110-M112 PolarHBondContact O-N 2.87Å; M112-P172 WeakPolarHBondContact O-CD 3.37Å; M112-P172 HydrophobicContact SD-CG 4.03Å
113	L	96.3	Very high	94.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-129.9	-3.4	-169.6	-64.4	175.6	0	0	0	114.2	L69 L82 P91 L109 W123 F169 A170 V171 L177	L69-L113 HydrophobicContact CD1-CD1 3.55Å; L82-L113 HydrophobicContact CD2-CD2 4.17Å; P91-L113 HydrophobicContact CB-CD1 3.89Å; P91-L113 HydrophobicContact CB-CG 4.46Å; P91-L113 HydrophobicContact CG-CD1 4.02Å; L109-L113 WeakPolarHBondContact O-CA 3.4Å; L109-L113 PolarHBondContact O-N 3.41Å; L113-W123 HydrophobicContact CB-CH2 3.96Å; L113-W123 HydrophobicContact CB-CZ2 4.17Å; L113-F169 HydrophobicContact CB-CD1 4.32Å; L113-F169 WeakPolarHBondContact O-CA 3.47Å; L113-A170 WeakPolarHBondContact CA-O 3.34Å; L113-A170 PolarHBondContact O-N 2.77Å; L113-V171 HydrophobicContact CD2-CG2 4.23Å; L113-L177 HydrophobicContact CD2-CD1 4.33Å
114	G	94.5	Very high	94.5	Very high	9 Å²	9	49.5 Å²	49.5	9%	0.093	28%	0.278	C	S	.	.			trans	-63.1	157.4	178.2	0	0	0	0	0	113.1	L109 S110 A170	L109-G114 PolarHBondContact O-N 3.25Å; S110-G114 WeakPolarHBondContact O-CA 3.37Å; S110-G114 PolarHBondContact O-N 2.9Å; G114-A170 WeakPolarHBondContact O-CB 2.99Å
115	R	92.6	Very high	94.5	Very high	76 Å²	76	51.2 Å²	51.2	29%	0.287	29%	0.289	S	S	.	.			trans	-70.5	156.1	-174.5	-57.1	169.8	63.6	117.7	2.4	112	D117 I119 V121 L168	R115-D117 WeakPolarHBondContact CB-OD1 3.49Å; R115-D117 IonicContact CZ-OD1 3.22Å; R115-D117 IonicContact CZ-OD2 3.79Å; R115-D117 VanDerWaalsContact CZ-OD2 3.31Å; R115-D117 IonicContact NE-OD1 3.98Å; R115-D117 PolarHBondContact NE-OD1 3.44Å; R115-D117 IonicContact NE-OD2 2.66Å; R115-D117 PolarHBondContact NE-OD2 3.35Å; R115-D117 VanDerWaalsContact NE-OD2 3.14Å; R115-D117 IonicContact NH2-OD1 3.91Å; R115-D117 IonicContact NH2-OD2 3.31Å; R115-D117 PolarHBondContact NH2-OD2 3.3Å; R115-I119 WeakPolarHBondContact CD-O 3.46Å; R115-V121 HydrophobicContact CG-CG2 3.89Å; R115-L168 HydrophobicContact CB-CD2 4.29Å; R115-L168 HydrophobicContact CG-CB 4.43Å; R115-L168 HydrophobicContact CG-CD2 3.89Å; R115-L168 VanDerWaalsContact CG-O 3.24Å; R115-L168 WeakPolarHBondContact CG-O 3.49Å
116	T	90.2	Very high	94.3	Very high	102 Å²	102	54 Å²	54	63%	0.626	30%	0.302	S	S	*	.	S	Bend	trans	-91	-11.8	176.9	50	0	0	0	0	113.8	K35 G118 A170	K35-T116 HydrophobicContact CB-CG2 3.65Å; T116-G118 VanDerWaalsContact C-N 3.26Å; T116-G118 PolarHBondContact O-N 3.34Å; T116-A170 HydrophobicContact CG2-CB 4Å
117	D	90.8	Very high	94.3	Very high	84 Å²	84	52.7 Å²	52.7	45%	0.449	30%	0.298	S	S	.	.	S	Bend	trans	-85.8	6.3	179.3	62.4	1	0	0	0	113.7	R115 I119	R115-D117 WeakPolarHBondContact CB-OD1 3.49Å; R115-D117 IonicContact CZ-OD1 3.22Å; R115-D117 IonicContact CZ-OD2 3.79Å; R115-D117 VanDerWaalsContact CZ-OD2 3.31Å; R115-D117 IonicContact NE-OD1 3.98Å; R115-D117 PolarHBondContact NE-OD1 3.44Å; R115-D117 IonicContact NE-OD2 2.66Å; R115-D117 PolarHBondContact NE-OD2 3.35Å; R115-D117 VanDerWaalsContact NE-OD2 3.14Å; R115-D117 IonicContact NH2-OD1 3.91Å; R115-D117 IonicContact NH2-OD2 3.31Å; R115-D117 PolarHBondContact NH2-OD2 3.3Å; D117-I119 PolarHBondContact O-N 2.99Å; D117-I119 WeakPolarHBondContact OD1-CB 3.39Å; D117-I119 PolarHBondContact OD1-N 3.37Å; D117-I119 VanDerWaalsContact OD1-N 3.15Å
118	G	86.1	Confident	94.3	Very high	68 Å²	68	52.2 Å²	52.2	70%	0.701	30%	0.304	S	S	*	.	S	Bend	trans	77.7	-2	179.5	0	0	0	0	0	114.6	T116 P120	T116-G118 VanDerWaalsContact C-N 3.26Å; T116-G118 PolarHBondContact O-N 3.34Å; G118-P120 WeakPolarHBondContact O-CD 3.4Å
119	I	90	Very high	94.3	Very high	92 Å²	92	52.3 Å²	52.3	47%	0.472	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-74.3	120.4	173.8	-59.5	177.1	0	0	0	108.1	R115 D117	R115-I119 WeakPolarHBondContact CD-O 3.46Å; D117-I119 PolarHBondContact O-N 2.99Å; D117-I119 WeakPolarHBondContact OD1-CB 3.39Å; D117-I119 PolarHBondContact OD1-N 3.37Å; D117-I119 VanDerWaalsContact OD1-N 3.15Å
120	P	90.1	Very high	94.3	Very high	113 Å²	113	52.8 Å²	52.8	73%	0.734	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-68.2	141.2	178.1	28	-33.4	0	0	0	110.6	G118	G118-P120 WeakPolarHBondContact O-CD 3.4Å
121	V	92.4	Very high	94.4	Very high	12 Å²	12	53.2 Å²	53.2	7%	0.073	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-85.6	123.7	167.8	-179.4	0	0	0	0	107.4	R115 W123 T167	R115-V121 HydrophobicContact CG-CG2 3.89Å; V121-W123 HydrophobicContact CB-CD2 4.32Å; V121-W123 HydrophobicContact CB-CH2 4.43Å; V121-W123 HydrophobicContact CB-CZ2 3.8Å; V121-W123 HydrophobicContact CG1-CD2 3.83Å; V121-W123 HydrophobicContact CG1-CE3 3.93Å; V121-W123 HydrophobicContact CG1-CH2 3.86Å; V121-W123 HydrophobicContact CG1-CZ2 3.7Å; V121-W123 HydrophobicContact CG1-CZ3 3.96Å; V121-W123 HydrophobicContact CG2-CZ2 4.26Å; V121-W123 VanDerWaalsContact O-CD1 3.28Å; V121-W123 PolarHBondContact O-N 3.35Å; V121-W123 VanDerWaalsContact O-N 3.07Å; V121-T167 HydrophobicContact CG1-CG2 3.99Å; V121-T167 HydrophobicContact CG2-CG2 4.24Å
122	D	92.4	Very high	94.6	Very high	105 Å²	105	49.1 Å²	49.1	56%	0.561	29%	0.288	S	S	*	.			trans	-78.4	94.1	175.3	-171.8	22.6	0	0	0	110.2	K106 I124	K106-D122 IonicContact NZ-OD1 2.61Å; D122-I124 PolarHBondContact O-N 2.7Å
123	W	96.9	Very high	94.7	Very high	3 Å²	3	50.2 Å²	50.2	1%	0.011	29%	0.291	C	S	.	.			trans	-76.3	119.5	174.4	-53.9	109	0	0	0	109.4	L69 K106 L109 S110 L113 V121 P125 I161 L163 F169	L69-W123 HydrophobicContact CD1-CZ3 4.38Å; L69-W123 HydrophobicContact CD2-CE3 4.5Å; L69-W123 HydrophobicContact CD2-CZ3 4.2Å; K106-W123 WeakPolarHBondContact CE-O 3.43Å; K106-W123 HydrophobicContact CG-CB 4.09Å; K106-W123 PolarHBondContact NZ-O 2.97Å; L109-W123 HydrophobicContact CB-CD2 3.76Å; L109-W123 HydrophobicContact CB-CE3 4.36Å; L109-W123 HydrophobicContact CB-CG 4.03Å; L109-W123 HydrophobicContact CB-CH2 4.44Å; L109-W123 HydrophobicContact CB-CZ2 3.91Å; L109-W123 HydrophobicContact CD1-CB 4.19Å; L109-W123 HydrophobicContact CD1-CD2 3.9Å; L109-W123 HydrophobicContact CD1-CE3 4Å; L109-W123 HydrophobicContact CD1-CG 3.99Å; L109-W123 HydrophobicContact CG-CD2 4.48Å; S110-W123 PolarHBondContact OG-NE1 3.27Å; L113-W123 HydrophobicContact CB-CH2 3.96Å; L113-W123 HydrophobicContact CB-CZ2 4.17Å; V121-W123 HydrophobicContact CB-CD2 4.32Å; V121-W123 HydrophobicContact CB-CH2 4.43Å; V121-W123 HydrophobicContact CB-CZ2 3.8Å; V121-W123 HydrophobicContact CG1-CD2 3.83Å; V121-W123 HydrophobicContact CG1-CE3 3.93Å; V121-W123 HydrophobicContact CG1-CH2 3.86Å; V121-W123 HydrophobicContact CG1-CZ2 3.7Å; V121-W123 HydrophobicContact CG1-CZ3 3.96Å; V121-W123 HydrophobicContact CG2-CZ2 4.26Å; V121-W123 VanDerWaalsContact O-CD1 3.28Å; V121-W123 PolarHBondContact O-N 3.35Å; V121-W123 VanDerWaalsContact O-N 3.07Å; W123-P125 WeakPolarHBondContact O-CD 3.32Å; W123-I161 HydrophobicContact CE3-CG2 4.18Å; W123-L163 HydrophobicContact CZ3-CD2 4.17Å; W123-F169 AromaticContact CH2-CD1 3.74Å; W123-F169 HydrophobicContact CH2-CD1 3.74Å; W123-F169 AromaticContact CH2-CE1 3.42Å; W123-F169 HydrophobicContact CH2-CE1 3.42Å; W123-F169 VanDerWaalsContact CH2-CE1 3.42Å; W123-F169 HydrophobicContact CZ3-CD1 4.39Å; W123-F169 AromaticContact CZ3-CE1 3.62Å; W123-F169 HydrophobicContact CZ3-CE1 3.62Å; W123-F169 HydrophobicContact CZ3-CZ 4.41Å
124	I	97.5	Very high	94.8	Very high	66 Å²	66	50.6 Å²	50.6	34%	0.338	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	101.9	-179.1	-57	175.5	0	0	0	109.1	D122 E126 I161 Q162	D122-I124 PolarHBondContact O-N 2.7Å; I124-E126 PolarHBondContact O-N 3.01Å; I124-I161 CarbonylContact O-C 3.54Å; I124-I161 WeakPolarHBondContact O-CA 3.22Å; I124-Q162 HydrophobicContact CB-CB 4.28Å; I124-Q162 HydrophobicContact CG2-CB 4.33Å; I124-Q162 PolarHBondContact O-N 3.2Å
125	P	97	Very high	95	Very high	37 Å²	37	50.6 Å²	50.6	24%	0.24	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	123.6	173.5	-4.6	20.5	0	0	0	110	I102 W123 I161	I102-P125 HydrophobicContact CD1-CB 3.83Å; I102-P125 HydrophobicContact CD1-CG 3.93Å; I102-P125 HydrophobicContact CG2-CG 3.65Å; W123-P125 WeakPolarHBondContact O-CD 3.32Å; P125-I161 HydrophobicContact CB-CD1 4.01Å; P125-I161 HydrophobicContact CG-CD1 4.36Å
126	E	96.6	Very high	95.2	Very high	58 Å²	58	50.4 Å²	50.4	27%	0.271	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-40.3	179.3	-77.4	-63.8	156.2	0	0	112.8	K20 I22 I124 L160 Q162	K20-E126 WeakPolarHBondContact CE-OE2 3.42Å; K20-E126 PolarHBondContact NZ-O 3.43Å; K20-E126 IonicContact NZ-OE2 3.83Å; K20-E126 PolarHBondContact NZ-OE2 3.15Å; I22-E126 HydrophobicContact CD1-CB 4.15Å; I22-E126 HydrophobicContact CD1-CG 4.1Å; I124-E126 PolarHBondContact O-N 3.01Å; E126-L160 PolarHBondContact N-O 2.91Å; E126-Q162 HydrophobicContact CG-CB 3.49Å; E126-Q162 VanDerWaalsContact CG-CB 3.49Å; E126-Q162 WeakPolarHBondContact OE1-CB 3.27Å
127	D	96.7	Very high	95.5	Very high	45 Å²	45	48 Å²	48	24%	0.241	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	148	-170	-150.5	-22.9	0	0	0	112.1	I129 F159 L160 R205 F206	D127-I129 HydrophobicContact CB-CG2 3.92Å; D127-I129 PolarHBondContact O-N 3.45Å; D127-F159 CarbonylContact O-C 3.55Å; D127-F159 VanDerWaalsContact O-CA 3.31Å; D127-F159 WeakPolarHBondContact O-CA 3.13Å; D127-L160 PolarHBondContact O-N 3.31Å; D127-R205 IonicContact OD1-NH2 3.7Å; D127-R205 PolarHBondContact OD1-NH2 3.24Å; D127-R205 IonicContact OD2-CZ 3.49Å; D127-R205 IonicContact OD2-NH2 2.64Å; D127-R205 PolarHBondContact OD2-NH2 2.99Å; D127-F206 HydrophobicContact CB-CE1 4.35Å; D127-F206 HydrophobicContact CB-CZ 4.09Å; D127-F206 WeakPolarHBondContact OD2-CE1 3.31Å; D127-F206 WeakPolarHBondContact OD2-CZ 3.49Å
128	C	98.1	Very high	95.7	Very high	48 Å²	48	49.4 Å²	49.4	32%	0.324	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	104.1	167.9	177.8	0	0	0	0	108.2	L158 F159	C128-L158 CarbonylContact C-O 3.54Å; C128-L158 WeakPolarHBondContact CA-O 3.14Å; C128-F159 HydrophobicContact CB-CD1 4.02Å; C128-F159 HydrophobicContact CB-CE1 3.71Å; C128-F159 HydrophobicContact CB-CZ 4.38Å
129	I	97.9	Very high	96.1	Very high	17 Å²	17	50.4 Å²	50.4	9%	0.087	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-13	-170.5	72.4	171.5	0	0	0	113.3	I68 D127 L158 L160 L199 V202 L203 F206	I68-I129 HydrophobicContact CB-CD1 4.35Å; I68-I129 HydrophobicContact CG1-CD1 3.79Å; I68-I129 HydrophobicContact CG1-CG1 4.42Å; D127-I129 HydrophobicContact CB-CG2 3.92Å; D127-I129 PolarHBondContact O-N 3.45Å; I129-L158 HydrophobicContact CG1-CB 4.1Å; I129-L158 PolarHBondContact N-O 2.87Å; I129-L160 HydrophobicContact CD1-CB 4.33Å; I129-L160 HydrophobicContact CG2-CB 3.81Å; I129-L199 HydrophobicContact CD1-CD2 4.47Å; I129-V202 HydrophobicContact CB-CG1 3.61Å; I129-V202 HydrophobicContact CD1-CG1 3.82Å; I129-V202 HydrophobicContact CG1-CG1 3.78Å; I129-V202 WeakPolarHBondContact O-CG1 3.37Å; I129-L203 HydrophobicContact CD1-CD2 3.74Å; I129-L203 HydrophobicContact CD1-CG 4.39Å; I129-F206 HydrophobicContact CG2-CE2 3.73Å; I129-F206 HydrophobicContact CG2-CZ 3.63Å
130	G	97.8	Very high	96.4	Very high	10 Å²	10	48.7 Å²	48.7	10%	0.103	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	145.7	-179.3	0	0	0	0	0	112.8	R157 L158	G130-R157 WeakPolarHBondContact O-CA 3.38Å; G130-L158 PolarHBondContact N-O 2.91Å; G130-L158 PolarHBondContact O-N 2.88Å
131	N	98.2	Very high	96.7	Very high	54 Å²	54	45.9 Å²	45.9	29%	0.289	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	106.4	174.8	-171	18.3	0	0	0	108.8	W133 Q155	N131-W133 WeakPolarHBondContact ND2-CZ2 3.21Å; N131-Q155 WeakPolarHBondContact OD1-CG 3.31Å; N131-Q155 PolarHBondContact OD1-NE2 2.85Å
132	W	98.5	Very high	96.9	Very high	20 Å²	20	49.5 Å²	49.5	8%	0.076	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144.5	-172.6	-71.5	78.9	0	0	0	110.9	R141 Y142 P143 Q155 T156 P194 I195 S198	W132-R141 HydrophobicContact CE3-CB 4.11Å; W132-Y142 CarbonylContact C-O 3.57Å; W132-Y142 WeakPolarHBondContact CA-O 3.39Å; W132-P143 HydrophobicContact CD2-CB 4.41Å; W132-P143 HydrophobicContact CH2-CG 4.48Å; W132-P143 HydrophobicContact CZ2-CB 4.36Å; W132-Q155 CarbonylContact O-C 3.51Å; W132-Q155 WeakPolarHBondContact O-CA 3.36Å; W132-T156 PolarHBondContact N-O 2.86Å; W132-T156 PolarHBondContact O-N 2.69Å; W132-P194 HydrophobicContact CH2-CB 4.32Å; W132-P194 HydrophobicContact CZ3-CB 4.3Å; W132-I195 HydrophobicContact CB-CD1 4.4Å; W132-I195 HydrophobicContact CD2-CD1 4.23Å; W132-I195 HydrophobicContact CD2-CG1 3.73Å; W132-I195 HydrophobicContact CE3-CD1 4.5Å; W132-I195 HydrophobicContact CE3-CG1 3.89Å; W132-I195 HydrophobicContact CG-CD1 4.17Å; W132-I195 HydrophobicContact CG-CG1 4.15Å; W132-I195 HydrophobicContact CH2-CG1 4.37Å; W132-I195 HydrophobicContact CZ2-CG1 4.24Å; W132-I195 HydrophobicContact CZ3-CG1 4.2Å; W132-S198 WeakPolarHBondContact CZ2-OG 3.41Å
133	W	98.6	Very high	97.2	Very high	36 Å²	36	48.3 Å²	48.3	14%	0.136	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.8	-172.9	-58.9	90	0	0	0	109.9	M61 N131 P135 R141 Y142 I145 P152 E154 Q155	M61-W133 HydrophobicContact CE-CZ3 3.92Å; M61-W133 HydrophobicContact SD-CE3 4.12Å; M61-W133 HydrophobicContact SD-CZ3 3.63Å; N131-W133 WeakPolarHBondContact ND2-CZ2 3.21Å; W133-P135 WeakPolarHBondContact O-CD 3.37Å; W133-R141 CarbonylContact O-C 3.58Å; W133-R141 VanDerWaalsContact O-CA 3.27Å; W133-R141 WeakPolarHBondContact O-CA 3.49Å; W133-Y142 PolarHBondContact N-O 2.76Å; W133-Y142 PolarHBondContact O-N 3.37Å; W133-I145 HydrophobicContact CB-CG1 4.1Å; W133-I145 HydrophobicContact CD2-CD1 3.81Å; W133-I145 HydrophobicContact CD2-CG1 3.49Å; W133-I145 VanDerWaalsContact CD2-CG1 3.49Å; W133-I145 HydrophobicContact CE3-CD1 3.9Å; W133-I145 HydrophobicContact CE3-CG1 3.91Å; W133-I145 HydrophobicContact CG-CD1 4.41Å; W133-I145 HydrophobicContact CG-CG1 3.56Å; W133-I145 HydrophobicContact CH2-CD1 4.04Å; W133-I145 HydrophobicContact CZ2-CD1 3.97Å; W133-I145 HydrophobicContact CZ2-CG1 4.42Å; W133-I145 HydrophobicContact CZ3-CD1 4Å; W133-P152 HydrophobicContact CE3-CB 3.98Å; W133-P152 HydrophobicContact CE3-CG 3.8Å; W133-P152 HydrophobicContact CZ3-CG 3.99Å; W133-E154 WeakPolarHBondContact CA-O 3.45Å; W133-Q155 HydrophobicContact CD2-CG 4.18Å; W133-Q155 HydrophobicContact CE3-CB 3.84Å; W133-Q155 HydrophobicContact CE3-CG 3.91Å; W133-Q155 HydrophobicContact CH2-CB 4.18Å; W133-Q155 HydrophobicContact CH2-CG 3.68Å; W133-Q155 HydrophobicContact CZ2-CG 3.94Å; W133-Q155 HydrophobicContact CZ3-CB 3.66Å; W133-Q155 HydrophobicContact CZ3-CG 3.66Å
134	R	98	Very high	97.2	Very high	8 Å²	8	54.6 Å²	54.6	3%	0.03	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	112.3	167.3	-170.1	-172.7	-61	-68.1	-6.8	108.6	N136 E138 P139 R141 P152 K153 E154	R134-N136 WeakPolarHBondContact CD-O 3.43Å; R134-N136 WeakPolarHBondContact CG-O 3.34Å; R134-E138 PolarHBondContact NH1-O 2.81Å; R134-P139 VanDerWaalsContact NH1-C 3.33Å; R134-P139 PolarHBondContact NH1-O 3.13Å; R134-R141 HydrophobicContact CB-CG 4.05Å; R134-R141 HydrophobicContact CG-CG 4.41Å; R134-P152 CarbonylContact O-C 3.6Å; R134-K153 PolarHBondContact O-N 3.33Å; R134-E154 HydrophobicContact CB-CB 3.76Å; R134-E154 IonicContact CZ-OE2 2.77Å; R134-E154 PolarHBondContact N-O 2.68Å; R134-E154 IonicContact NE-OE2 2.69Å; R134-E154 PolarHBondContact NE-OE2 3.43Å; R134-E154 IonicContact NH2-OE2 3.61Å; R134-E154 PolarHBondContact NH2-OE2 3.28Å; R134-E154 PolarHBondContact O-N 2.96Å
135	P	97.7	Very high	97.2	Very high	9 Å²	9	55 Å²	55	6%	0.058	28%	0.281	C	S	.	.			trans	-74.9	-34.1	-177.1	28.4	-34.1	0	0	0	113.4	W133 Y142 V149	W133-P135 WeakPolarHBondContact O-CD 3.37Å; P135-Y142 HydrophobicContact CG-CD2 3.92Å; P135-Y142 HydrophobicContact CG-CE2 3.81Å; P135-V149 HydrophobicContact CB-CB 4.31Å; P135-V149 HydrophobicContact CB-CG1 3.91Å; P135-V149 HydrophobicContact CB-CG2 3.53Å
136	N	97.2	Very high	97.1	Very high	72 Å²	72	53.9 Å²	53.9	39%	0.385	27%	0.274	S	S	.	.	S	Bend	trans	-135.3	175.2	-171.7	-65.3	-44.4	0	0	0	112.1	R134 E138	R134-N136 WeakPolarHBondContact CD-O 3.43Å; R134-N136 WeakPolarHBondContact CG-O 3.34Å; N136-E138 HydrophobicContact CB-CG 4.44Å; N136-E138 PolarHBondContact O-N 2.85Å
137	F	97.1	Very high	97.1	Very high	52 Å²	52	56.3 Å²	56.3	23%	0.228	30%	0.304	C	S	.	.	S	Bend	trans	-78.3	49.6	176.4	-55.2	-68.3	0	0	0	112.4	F49 L52 Q53 F56 K153	F49-F137 WeakPolarHBondContact CG-O 3.39Å; L52-F137 HydrophobicContact CB-CD1 4.36Å; L52-F137 HydrophobicContact CD2-CD1 4.06Å; L52-F137 HydrophobicContact CG-CD1 3.87Å; L52-F137 HydrophobicContact CG-CE1 4.07Å; Q53-F137 HydrophobicContact CB-CD1 3.89Å; Q53-F137 HydrophobicContact CB-CD2 4.28Å; Q53-F137 HydrophobicContact CB-CE1 3.83Å; Q53-F137 HydrophobicContact CB-CE2 4.2Å; Q53-F137 HydrophobicContact CB-CG 4.12Å; Q53-F137 HydrophobicContact CB-CZ 3.97Å; Q53-F137 HydrophobicContact CG-CD2 4.23Å; Q53-F137 HydrophobicContact CG-CE1 4.29Å; Q53-F137 HydrophobicContact CG-CE2 3.87Å; Q53-F137 HydrophobicContact CG-CZ 3.9Å; F56-F137 HydrophobicContact CB-CE1 3.84Å; F56-F137 HydrophobicContact CB-CZ 3.92Å; F56-F137 AromaticContact CD1-CZ 3.86Å; F56-F137 HydrophobicContact CD1-CZ 3.86Å; F56-F137 HydrophobicContact CG-CE1 4.15Å; F56-F137 AromaticContact CG-CZ 3.91Å; F56-F137 HydrophobicContact CG-CZ 3.91Å; F137-K153 HydrophobicContact CD1-CB 4.26Å; F137-K153 HydrophobicContact CD1-CD 4.41Å; F137-K153 HydrophobicContact CD1-CG 3.94Å; F137-K153 HydrophobicContact CE1-CB 3.99Å; F137-K153 HydrophobicContact CE1-CD 3.72Å; F137-K153 HydrophobicContact CE1-CG 3.69Å; F137-K153 HydrophobicContact CE2-CD 4.01Å; F137-K153 HydrophobicContact CE2-CG 4.4Å; F137-K153 HydrophobicContact CG-CG 4.37Å; F137-K153 HydrophobicContact CZ-CD 3.52Å; F137-K153 HydrophobicContact CZ-CG 3.97Å
138	E	95.7	Very high	97	Very high	113 Å²	113	61.4 Å²	61.4	53%	0.528	33%	0.326	S	S	.	.	S	Bend	trans	-139	161.9	-173.1	-66.3	179.9	164.9	0	0	110.1	F49 R134 N136	F49-E138 WeakPolarHBondContact CE1-O 3.27Å; R134-E138 PolarHBondContact NH1-O 2.81Å; N136-E138 HydrophobicContact CB-CG 4.44Å; N136-E138 PolarHBondContact O-N 2.85Å
139	P	94.2	Very high	96.9	Very high	88 Å²	88	59.9 Å²	59.9	57%	0.571	32%	0.315	S	S	*	.	S	Bend	trans	-52.6	-40.3	-179.1	-27	34.5	0	0	0	117.6	F49 R134	F49-P139 HydrophobicContact CE2-CG 3.84Å; F49-P139 HydrophobicContact CZ-CB 4.35Å; F49-P139 HydrophobicContact CZ-CG 3.96Å; F49-P139 VanDerWaalsContact CZ-N 3.32Å; R134-P139 VanDerWaalsContact NH1-C 3.33Å; R134-P139 PolarHBondContact NH1-O 3.13Å
140	P	95	Very high	96.7	Very high	56 Å²	56	65.1 Å²	65.1	36%	0.364	35%	0.349	S	S	.	.			trans	-58.7	138.9	-171.9	-27.4	36.5	0	0	0	114.2	Y142	P140-Y142 HydrophobicContact CB-CE2 3.92Å
141	R	96.9	Very high	96.7	Very high	55 Å²	55	71.4 Å²	71.4	21%	0.208	37%	0.373	C	S	.	.			trans	-131	146.6	171	-71	-174	-85.4	-177.5	0.3	108.8	E66 W132 W133 R134 T156	E66-R141 IonicContact OE1-NH1 3.85Å; W132-R141 HydrophobicContact CE3-CB 4.11Å; W133-R141 CarbonylContact O-C 3.58Å; W133-R141 VanDerWaalsContact O-CA 3.27Å; W133-R141 WeakPolarHBondContact O-CA 3.49Å; R134-R141 HydrophobicContact CB-CG 4.05Å; R134-R141 HydrophobicContact CG-CG 4.41Å; R141-T156 PolarHBondContact NH1-OG1 2.99Å
142	Y	97.7	Very high	96.6	Very high	88 Å²	88	69.5 Å²	69.5	35%	0.345	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-128.7	147.1	-176.6	-61.1	-85.8	0	0	0	110.8	W132 W133 P135 P140 Y144 P146	W132-Y142 CarbonylContact C-O 3.57Å; W132-Y142 WeakPolarHBondContact CA-O 3.39Å; W133-Y142 PolarHBondContact N-O 2.76Å; W133-Y142 PolarHBondContact O-N 3.37Å; P135-Y142 HydrophobicContact CG-CD2 3.92Å; P135-Y142 HydrophobicContact CG-CE2 3.81Å; P140-Y142 HydrophobicContact CB-CE2 3.92Å; Y142-Y144 WeakPolarHBondContact CB-O 3.05Å; Y142-Y144 HydrophobicContact CD1-CE1 4.42Å; Y142-Y144 PolarHBondContact O-N 2.92Å; Y142-Y144 VanDerWaalsContact O-N 3.08Å; Y142-P146 HydrophobicContact CD2-CG 4.25Å
143	P	97.4	Very high	96.6	Very high	79 Å²	79	70 Å²	70	51%	0.513	37%	0.366	S	S	.	.	S	Bend	trans	-75.8	12.4	175.8	31.9	-33.9	0	0	0	113.2	W132	W132-P143 HydrophobicContact CD2-CB 4.41Å; W132-P143 HydrophobicContact CH2-CG 4.48Å; W132-P143 HydrophobicContact CZ2-CB 4.36Å
144	Y	97.1	Very high	96.6	Very high	135 Å²	135	68.5 Å²	68.5	53%	0.529	36%	0.361	S	S	.	.	S	Bend	trans	-151.4	167	177.3	61.6	-88.4	0	0	0	109.2	Y142 P146	Y142-Y144 WeakPolarHBondContact CB-O 3.05Å; Y142-Y144 HydrophobicContact CD1-CE1 4.42Å; Y142-Y144 PolarHBondContact O-N 2.92Å; Y142-Y144 VanDerWaalsContact O-N 3.08Å; Y144-P146 HydrophobicContact CE2-CB 4.46Å; Y144-P146 HydrophobicContact CE2-CG 4.16Å; Y144-P146 WeakPolarHBondContact O-CD 3.27Å
145	I	97.3	Very high	96.6	Very high	74 Å²	74	69.3 Å²	69.3	38%	0.379	37%	0.365	S	S	.	.			trans	-92.9	118.4	172.5	-59.7	165.5	0	0	0	108.1	W133 V149 P152	W133-I145 HydrophobicContact CB-CG1 4.1Å; W133-I145 HydrophobicContact CD2-CD1 3.81Å; W133-I145 HydrophobicContact CD2-CG1 3.49Å; W133-I145 VanDerWaalsContact CD2-CG1 3.49Å; W133-I145 HydrophobicContact CE3-CD1 3.9Å; W133-I145 HydrophobicContact CE3-CG1 3.91Å; W133-I145 HydrophobicContact CG-CD1 4.41Å; W133-I145 HydrophobicContact CG-CG1 3.56Å; W133-I145 HydrophobicContact CH2-CD1 4.04Å; W133-I145 HydrophobicContact CZ2-CD1 3.97Å; W133-I145 HydrophobicContact CZ2-CG1 4.42Å; W133-I145 HydrophobicContact CZ3-CD1 4Å; I145-V149 HydrophobicContact CG2-CB 3.97Å; I145-V149 HydrophobicContact CG2-CG1 4.12Å; I145-V149 WeakPolarHBondContact CG2-O 3.16Å; I145-P152 HydrophobicContact CD1-CG 4.38Å
146	P	95.9	Very high	96.7	Very high	15 Å²	15	68.9 Å²	68.9	10%	0.097	36%	0.362	C	S	.	.			trans	-59.1	143.8	174.6	-23.2	33.5	0	0	0	111.9	Y142 Y144 H148 V149	Y142-P146 HydrophobicContact CD2-CG 4.25Å; Y144-P146 HydrophobicContact CE2-CB 4.46Å; Y144-P146 HydrophobicContact CE2-CG 4.16Å; Y144-P146 WeakPolarHBondContact O-CD 3.27Å; P146-H148 PolarHBondContact O-N 3.36Å; P146-V149 HydrophobicContact CB-CG2 3.97Å; P146-V149 HydrophobicContact CG-CG2 4.2Å; P146-V149 WeakPolarHBondContact O-CB 3.34Å; P146-V149 PolarHBondContact O-N 2.89Å
147	A	96.2	Very high	96.8	Very high	109 Å²	109	69.1 Å²	69.1	90%	0.901	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.4	-171	0	0	0	0	0	115.2	V149	A147-V149 VanDerWaalsContact C-N 3.27Å; A147-V149 PolarHBondContact O-N 3.07Å
148	H	93.8	Very high	96.8	Very high	151 Å²	151	66.6 Å²	66.6	70%	0.699	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-4.2	178.2	62	-91.1	0	0	0	113.4	P146	P146-H148 PolarHBondContact O-N 3.36Å
149	V	96.1	Very high	97	Very high	16 Å²	16	61.8 Å²	61.8	10%	0.097	32%	0.324	C	S	.	.			trans	-101.1	106.4	-175.5	179.6	0	0	0	0	109.1	P135 I145 P146 A147 P152	P135-V149 HydrophobicContact CB-CB 4.31Å; P135-V149 HydrophobicContact CB-CG1 3.91Å; P135-V149 HydrophobicContact CB-CG2 3.53Å; I145-V149 HydrophobicContact CG2-CB 3.97Å; I145-V149 HydrophobicContact CG2-CG1 4.12Å; I145-V149 WeakPolarHBondContact CG2-O 3.16Å; P146-V149 HydrophobicContact CB-CG2 3.97Å; P146-V149 HydrophobicContact CG-CG2 4.2Å; P146-V149 WeakPolarHBondContact O-CB 3.34Å; P146-V149 PolarHBondContact O-N 2.89Å; A147-V149 VanDerWaalsContact C-N 3.27Å; A147-V149 PolarHBondContact O-N 3.07Å; V149-P152 HydrophobicContact CG1-CB 4.27Å
150	T	94.5	Very high	97.2	Very high	128 Å²	128	57.6 Å²	57.6	79%	0.785	30%	0.297	S	S	*	.	S	Bend	trans	-93	-21.6	177.5	55.3	0	0	0	0	113.3
151	K	96.8	Very high	97.4	Very high	142 Å²	142	55 Å²	55	62%	0.617	28%	0.28	S	S	*	.	S	Bend	trans	-136.3	78.4	-177.1	-65.4	-174	-178.7	-178	0	110.8	F56 K153	F56-K151 HydrophobicContact CZ-CB 4.13Å; K151-K153 PolarHBondContact O-NZ 2.77Å
152	P	97.8	Very high	97.4	Very high	14 Å²	14	53.7 Å²	53.7	9%	0.091	28%	0.276	C	S	.	.			trans	-58	149.2	174.3	23.9	-31.8	0	0	0	111.1	F56 M61 W133 R134 I145 V149	F56-P152 WeakPolarHBondContact CE2-O 3.32Å; M61-P152 WeakPolarHBondContact CG-O 3.01Å; M61-P152 HydrophobicContact SD-CB 4.2Å; M61-P152 HydrophobicContact SD-CG 3.73Å; W133-P152 HydrophobicContact CE3-CB 3.98Å; W133-P152 HydrophobicContact CE3-CG 3.8Å; W133-P152 HydrophobicContact CZ3-CG 3.99Å; R134-P152 CarbonylContact O-C 3.6Å; I145-P152 HydrophobicContact CD1-CG 4.38Å; V149-P152 HydrophobicContact CG1-CB 4.27Å
153	K	98.4	Very high	97.4	Very high	29 Å²	29	49.6 Å²	49.6	13%	0.126	26%	0.26	C	S	.	.	S	Bend	trans	-88.8	-31.1	-173.4	-51.6	-45.7	175.8	-159.1	0	113	L52 F56 R62 R134 F137 K151	L52-K153 HydrophobicContact CD2-CB 4.26Å; F56-K153 HydrophobicContact CD1-CD 4.28Å; F56-K153 HydrophobicContact CD2-CB 4.45Å; F56-K153 HydrophobicContact CD2-CD 3.87Å; F56-K153 HydrophobicContact CE1-CD 4.17Å; F56-K153 HydrophobicContact CE2-CD 3.75Å; F56-K153 HydrophobicContact CG-CD 4.15Å; F56-K153 HydrophobicContact CZ-CD 3.92Å; R62-K153 PolarHBondContact N-O 2.85Å; R134-K153 PolarHBondContact O-N 3.33Å; F137-K153 HydrophobicContact CD1-CB 4.26Å; F137-K153 HydrophobicContact CD1-CD 4.41Å; F137-K153 HydrophobicContact CD1-CG 3.94Å; F137-K153 HydrophobicContact CE1-CB 3.99Å; F137-K153 HydrophobicContact CE1-CD 3.72Å; F137-K153 HydrophobicContact CE1-CG 3.69Å; F137-K153 HydrophobicContact CE2-CD 4.01Å; F137-K153 HydrophobicContact CE2-CG 4.4Å; F137-K153 HydrophobicContact CG-CG 4.37Å; F137-K153 HydrophobicContact CZ-CD 3.52Å; F137-K153 HydrophobicContact CZ-CG 3.97Å; K151-K153 PolarHBondContact O-NZ 2.77Å
154	E	98.4	Very high	97.3	Very high	6 Å²	6	48 Å²	48	3%	0.028	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	138.1	179.9	-176.6	178.5	-163.3	0	0	110.2	R62 S64 W133 R134	R62-E154 HydrophobicContact CB-CB 4.21Å; R62-E154 HydrophobicContact CB-CG 4.1Å; R62-E154 HydrophobicContact CG-CG 4.1Å; R62-E154 CarbonylContact O-C 3.55Å; R62-E154 VanDerWaalsContact O-CA 3.26Å; R62-E154 WeakPolarHBondContact O-CA 3.46Å; S64-E154 WeakPolarHBondContact CB-OE1 3.45Å; S64-E154 PolarHBondContact OG-OE1 3.3Å; W133-E154 WeakPolarHBondContact CA-O 3.45Å; R134-E154 HydrophobicContact CB-CB 3.76Å; R134-E154 IonicContact CZ-OE2 2.77Å; R134-E154 PolarHBondContact N-O 2.68Å; R134-E154 IonicContact NE-OE2 2.69Å; R134-E154 PolarHBondContact NE-OE2 3.43Å; R134-E154 IonicContact NH2-OE2 3.61Å; R134-E154 PolarHBondContact NH2-OE2 3.28Å; R134-E154 PolarHBondContact O-N 2.96Å
155	Q	98.4	Very high	97.2	Very high	24 Å²	24	46.5 Å²	46.5	11%	0.112	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.6	165.7	-174.5	-172.8	2.3	0	0	108.6	M61 R62 S64 N131 W132 W133	M61-Q155 HydrophobicContact CE-CB 3.76Å; M61-Q155 HydrophobicContact SD-CB 4.03Å; R62-Q155 PolarHBondContact O-N 3.05Å; S64-Q155 PolarHBondContact N-O 3.19Å; N131-Q155 WeakPolarHBondContact OD1-CG 3.31Å; N131-Q155 PolarHBondContact OD1-NE2 2.85Å; W132-Q155 CarbonylContact O-C 3.51Å; W132-Q155 WeakPolarHBondContact O-CA 3.36Å; W133-Q155 HydrophobicContact CD2-CG 4.18Å; W133-Q155 HydrophobicContact CE3-CB 3.84Å; W133-Q155 HydrophobicContact CE3-CG 3.91Å; W133-Q155 HydrophobicContact CH2-CB 4.18Å; W133-Q155 HydrophobicContact CH2-CG 3.68Å; W133-Q155 HydrophobicContact CZ2-CG 3.94Å; W133-Q155 HydrophobicContact CZ3-CB 3.66Å; W133-Q155 HydrophobicContact CZ3-CG 3.66Å
156	T	98.7	Very high	97.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	117.1	174.8	-50	0	0	0	0	109.6	S64 E66 W132 R141 L158	S64-T156 CarbonylContact O-C 3.59Å; S64-T156 VanDerWaalsContact O-CA 3.31Å; S64-T156 WeakPolarHBondContact O-CA 3.4Å; E66-T156 HydrophobicContact CG-CG2 3.95Å; W132-T156 PolarHBondContact N-O 2.86Å; W132-T156 PolarHBondContact O-N 2.69Å; R141-T156 PolarHBondContact NH1-OG1 2.99Å; T156-L158 HydrophobicContact CG2-CD2 4.16Å
157	R	98.6	Very high	97	Very high	77 Å²	77	50.1 Å²	50.1	29%	0.291	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	137.6	172.6	-81.9	-176.7	150.2	164.7	-6.1	111.7	S64 V65 E66 E101 G130 F159	S64-R157 PolarHBondContact O-N 2.91Å; V65-R157 CarbonylContact C-O 3.53Å; V65-R157 WeakPolarHBondContact CA-O 3.34Å; V65-R157 HydrophobicContact CG1-CB 4.48Å; E66-R157 PolarHBondContact N-O 2.88Å; E101-R157 VanDerWaalsContact CD-CD 3.4Å; E101-R157 VanDerWaalsContact OE1-CD 3.27Å; E101-R157 WeakPolarHBondContact OE1-CD 3.36Å; E101-R157 IonicContact OE1-CZ 3.14Å; E101-R157 IonicContact OE1-NE 2.65Å; E101-R157 IonicContact OE1-NH1 3.43Å; E101-R157 PolarHBondContact OE1-NH1 2.7Å; E101-R157 WeakPolarHBondContact OE2-CD 3.19Å; E101-R157 IonicContact OE2-CZ 2.99Å; E101-R157 IonicContact OE2-NE 3.65Å; E101-R157 IonicContact OE2-NH1 3.68Å; E101-R157 PolarHBondContact OE2-NH1 3.29Å; G130-R157 WeakPolarHBondContact O-CA 3.38Å; R157-F159 HydrophobicContact CB-CD2 4.28Å; R157-F159 HydrophobicContact CB-CE2 3.55Å; R157-F159 HydrophobicContact CB-CZ 4.11Å
158	L	98.8	Very high	96.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.4	179.2	-46.6	-178.8	0	0	0	108.8	E66 I68 C128 I129 G130 T156 I195 L199	E66-L158 HydrophobicContact CB-CD2 3.83Å; E66-L158 HydrophobicContact CG-CD2 4.44Å; E66-L158 WeakPolarHBondContact O-CA 3.46Å; I68-L158 HydrophobicContact CD1-CB 4.48Å; I68-L158 HydrophobicContact CG1-CB 4.46Å; C128-L158 CarbonylContact C-O 3.54Å; C128-L158 WeakPolarHBondContact CA-O 3.14Å; I129-L158 HydrophobicContact CG1-CB 4.1Å; I129-L158 PolarHBondContact N-O 2.87Å; G130-L158 PolarHBondContact N-O 2.91Å; G130-L158 PolarHBondContact O-N 2.88Å; T156-L158 HydrophobicContact CG2-CD2 4.16Å; L158-I195 HydrophobicContact CD1-CG2 3.73Å; L158-I195 HydrophobicContact CD2-CG2 3.95Å; L158-L199 HydrophobicContact CD1-CD2 4.33Å
159	F	98.8	Very high	97	Very high	11 Å²	11	40.1 Å²	40.1	5%	0.048	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.6	-178.9	-70.1	-87.3	0	0	0	110.5	V65 E66 G67 I68 E101 I102 L105 D127 C128 R157 I161	V65-F159 HydrophobicContact CB-CD2 4.35Å; V65-F159 HydrophobicContact CB-CE2 4.25Å; V65-F159 HydrophobicContact CG1-CD2 4.42Å; V65-F159 HydrophobicContact CG1-CE2 3.82Å; E66-F159 PolarHBondContact O-N 2.82Å; G67-F159 CarbonylContact C-O 3.47Å; G67-F159 WeakPolarHBondContact CA-O 3.47Å; I68-F159 PolarHBondContact N-O 2.82Å; E101-F159 HydrophobicContact CB-CE2 4.21Å; E101-F159 HydrophobicContact CB-CZ 3.94Å; I102-F159 HydrophobicContact CD1-CD1 3.77Å; I102-F159 HydrophobicContact CD1-CE1 3.49Å; I102-F159 VanDerWaalsContact CD1-CE1 3.49Å; I102-F159 HydrophobicContact CD1-CZ 4.02Å; L105-F159 HydrophobicContact CD2-CB 3.41Å; L105-F159 VanDerWaalsContact CD2-CB 3.41Å; L105-F159 HydrophobicContact CD2-CD2 3.75Å; L105-F159 HydrophobicContact CD2-CG 3.65Å; D127-F159 CarbonylContact O-C 3.55Å; D127-F159 VanDerWaalsContact O-CA 3.31Å; D127-F159 WeakPolarHBondContact O-CA 3.13Å; C128-F159 HydrophobicContact CB-CD1 4.02Å; C128-F159 HydrophobicContact CB-CE1 3.71Å; C128-F159 HydrophobicContact CB-CZ 4.38Å; R157-F159 HydrophobicContact CB-CD2 4.28Å; R157-F159 HydrophobicContact CB-CE2 3.55Å; R157-F159 HydrophobicContact CB-CZ 4.11Å; F159-I161 HydrophobicContact CB-CD1 4.41Å
160	L	98.7	Very high	97	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	127.7	169	-179.2	58.2	0	0	0	109	I22 I68 L70 E126 D127 I129 L203 F206	I22-L160 HydrophobicContact CD1-CD2 3.64Å; I22-L160 HydrophobicContact CG1-CD2 3.68Å; I22-L160 HydrophobicContact CG2-CD2 4.22Å; I68-L160 HydrophobicContact CB-CD1 4.32Å; I68-L160 HydrophobicContact CG2-CD1 4.36Å; L70-L160 HydrophobicContact CD1-CD1 3.63Å; L70-L160 HydrophobicContact CG-CD1 3.82Å; E126-L160 PolarHBondContact N-O 2.91Å; D127-L160 PolarHBondContact O-N 3.31Å; I129-L160 HydrophobicContact CD1-CB 4.33Å; I129-L160 HydrophobicContact CG2-CB 3.81Å; L160-L203 HydrophobicContact CD1-CD2 4.29Å; L160-L203 HydrophobicContact CD2-CD2 4.36Å; L160-F206 HydrophobicContact CD2-CD1 4.47Å; L160-F206 HydrophobicContact CD2-CD2 4.26Å; L160-F206 HydrophobicContact CD2-CE1 4.27Å; L160-F206 HydrophobicContact CD2-CE2 4.06Å; L160-F206 HydrophobicContact CD2-CG 4.47Å; L160-F206 HydrophobicContact CD2-CZ 4.05Å
161	I	98.4	Very high	97.1	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.015	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.5	179	-57	-57.5	0	0	0	109.2	I68 L69 L105 L109 W123 I124 P125 F159 L163	I68-I161 PolarHBondContact O-N 3.16Å; L69-I161 HydrophobicContact CD2-CB 3.52Å; L69-I161 HydrophobicContact CD2-CG1 3.82Å; L69-I161 HydrophobicContact CD2-CG2 3.77Å; L105-I161 HydrophobicContact CD2-CD1 3.72Å; L109-I161 HydrophobicContact CD1-CD1 4.1Å; L109-I161 HydrophobicContact CD1-CG1 3.9Å; W123-I161 HydrophobicContact CE3-CG2 4.18Å; I124-I161 CarbonylContact O-C 3.54Å; I124-I161 WeakPolarHBondContact O-CA 3.22Å; P125-I161 HydrophobicContact CB-CD1 4.01Å; P125-I161 HydrophobicContact CG-CD1 4.36Å; F159-I161 HydrophobicContact CB-CD1 4.41Å; I161-L163 HydrophobicContact CG2-CD2 4.32Å; I161-L163 PolarHBondContact O-N 2.76Å
162	Q	98	Very high	97.1	Very high	27 Å²	27	27.1 Å²	27.1	13%	0.126	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	113.4	167.4	-178.4	59.5	66	0	0	108.3	T23 I124 E126	T23-Q162 PolarHBondContact O-NE2 2.94Å; T23-Q162 PolarHBondContact O-OE1 3.44Å; I124-Q162 HydrophobicContact CB-CB 4.28Å; I124-Q162 HydrophobicContact CG2-CB 4.33Å; I124-Q162 PolarHBondContact O-N 3.2Å; E126-Q162 HydrophobicContact CG-CB 3.49Å; E126-Q162 VanDerWaalsContact CG-CB 3.49Å; E126-Q162 WeakPolarHBondContact OE1-CB 3.27Å
163	L	97.2	Very high	97	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	15%	0.149	C	C	.	.			trans	-76.9	143.5	171.2	-65.8	-175.1	0	0	0	109.9	Y25 Y30 L69 V71 L80 W123 I161 F169	Y25-L163 WeakPolarHBondContact CE2-O 3.03Å; Y30-L163 HydrophobicContact CE1-CB 3.98Å; Y30-L163 HydrophobicContact CE1-CD1 3.92Å; Y30-L163 HydrophobicContact CE2-CD1 4.33Å; Y30-L163 WeakPolarHBondContact OH-CB 3.39Å; L69-L163 HydrophobicContact CB-CD1 4.27Å; L69-L163 HydrophobicContact CB-CD2 4.45Å; L69-L163 HydrophobicContact CD2-CD2 3.79Å; V71-L163 HydrophobicContact CG1-CD1 3.82Å; L80-L163 HydrophobicContact CD1-CD1 4.28Å; W123-L163 HydrophobicContact CZ3-CD2 4.17Å; I161-L163 HydrophobicContact CG2-CD2 4.32Å; I161-L163 PolarHBondContact O-N 2.76Å; L163-F169 HydrophobicContact CD1-CZ 4.22Å; L163-F169 HydrophobicContact CD2-CE1 4.49Å; L163-F169 HydrophobicContact CD2-CZ 3.89Å
164	P	95.5	Very high	96.8	Very high	46 Å²	46	30.5 Å²	30.5	30%	0.299	15%	0.154	S	C	.	.			trans	-69.5	164.3	170.2	32.7	-37.3	0	0	0	110.5	Y30 K166 T167	Y30-P164 WeakPolarHBondContact CE1-O 3.36Å; Y30-P164 PolarHBondContact OH-O 2.82Å; Y30-P164 VanDerWaalsContact OH-O 3.12Å; P164-K166 PolarHBondContact O-N 2.88Å; P164-K166 VanDerWaalsContact O-N 3.14Å; P164-T167 WeakPolarHBondContact CG-OG1 3.34Å
165	E	95.8	Very high	96.7	Very high	102 Å²	102	30.8 Å²	30.8	48%	0.477	16%	0.155	S	C	.	.	S	Bend	trans	-53	-38.9	-179.3	-172.4	-170.7	136.6	0	0	113	Y25 S29	Y25-E165 HydrophobicContact CD1-CB 4.04Å; Y25-E165 HydrophobicContact CD1-CG 3.73Å; Y25-E165 HydrophobicContact CE1-CB 3.69Å; Y25-E165 HydrophobicContact CE1-CG 3.59Å; Y25-E165 HydrophobicContact CE2-CB 4.24Å; Y25-E165 HydrophobicContact CG-CB 4.43Å; Y25-E165 HydrophobicContact CG-CG 4.44Å; S29-E165 WeakPolarHBondContact CB-O 3.36Å
166	K	95.2	Very high	96.6	Very high	140 Å²	140	36.6 Å²	36.6	61%	0.609	18%	0.18	S	C	*	.	S	Bend	trans	-139.5	138.3	179.1	-61.8	179.7	-173.9	169.1	0	110.3	P164	P164-K166 PolarHBondContact O-N 2.88Å; P164-K166 VanDerWaalsContact O-N 3.14Å
167	T	93.1	Very high	96.5	Very high	25 Å²	25	38.5 Å²	38.5	15%	0.153	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	154	174	-86.7	0	0	0	0	111.2	Y30 S31 V121 P164 F169	Y30-T167 WeakPolarHBondContact CA-O 3.15Å; S31-T167 PolarHBondContact N-O 3.35Å; V121-T167 HydrophobicContact CG1-CG2 3.99Å; V121-T167 HydrophobicContact CG2-CG2 4.24Å; P164-T167 WeakPolarHBondContact CG-OG1 3.34Å; T167-F169 HydrophobicContact CG2-CD1 3.74Å; T167-F169 HydrophobicContact CG2-CE1 3.37Å; T167-F169 HydrophobicContact CG2-CE2 4.37Å; T167-F169 HydrophobicContact CG2-CG 4.36Å; T167-F169 HydrophobicContact CG2-CZ 3.75Å
168	L	94.3	Very high	96.5	Very high	50 Å²	50	36.5 Å²	36.5	26%	0.262	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.7	168	-176	145.4	0	0	0	108.9	S31 R115	S31-L168 CarbonylContact O-C 3.57Å; S31-L168 WeakPolarHBondContact O-CA 3.33Å; R115-L168 HydrophobicContact CB-CD2 4.29Å; R115-L168 HydrophobicContact CG-CB 4.43Å; R115-L168 HydrophobicContact CG-CD2 3.89Å; R115-L168 VanDerWaalsContact CG-O 3.24Å; R115-L168 WeakPolarHBondContact CG-O 3.49Å
169	F	95	Very high	96.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.9	170.6	-58.7	-58.9	0	0	0	109.4	Y30 S31 F32 G33 L80 L113 W123 L163 T167	Y30-F169 HydrophobicContact CD1-CD2 4.39Å; Y30-F169 AromaticContact CD1-CE2 3.47Å; Y30-F169 HydrophobicContact CD1-CE2 3.47Å; Y30-F169 VanDerWaalsContact CD1-CE2 3.47Å; Y30-F169 AromaticContact CD1-CZ 3.9Å; Y30-F169 HydrophobicContact CD1-CZ 3.9Å; Y30-F169 HydrophobicContact CE1-CE2 4.18Å; Y30-F169 HydrophobicContact CE1-CZ 4.24Å; Y30-F169 AromaticContact CG-CE2 3.84Å; Y30-F169 HydrophobicContact CG-CE2 3.84Å; S31-F169 PolarHBondContact O-N 2.84Å; F32-F169 CarbonylContact C-O 3.55Å; F32-F169 WeakPolarHBondContact CA-O 3.39Å; F32-F169 HydrophobicContact CD1-CB 4.13Å; F32-F169 HydrophobicContact CD1-CD2 4.02Å; F32-F169 AromaticContact CE1-CD2 3.57Å; F32-F169 HydrophobicContact CE1-CD2 3.57Å; F32-F169 HydrophobicContact CE1-CE2 4.32Å; F32-F169 HydrophobicContact CZ-CD2 4.5Å; G33-F169 PolarHBondContact N-O 3.41Å; L80-F169 HydrophobicContact CD1-CE2 4.24Å; L113-F169 HydrophobicContact CB-CD1 4.32Å; L113-F169 WeakPolarHBondContact O-CA 3.47Å; W123-F169 AromaticContact CH2-CD1 3.74Å; W123-F169 HydrophobicContact CH2-CD1 3.74Å; W123-F169 AromaticContact CH2-CE1 3.42Å; W123-F169 HydrophobicContact CH2-CE1 3.42Å; W123-F169 VanDerWaalsContact CH2-CE1 3.42Å; W123-F169 HydrophobicContact CZ3-CD1 4.39Å; W123-F169 AromaticContact CZ3-CE1 3.62Å; W123-F169 HydrophobicContact CZ3-CE1 3.62Å; W123-F169 HydrophobicContact CZ3-CZ 4.41Å; L163-F169 HydrophobicContact CD1-CZ 4.22Å; L163-F169 HydrophobicContact CD2-CE1 4.49Å; L163-F169 HydrophobicContact CD2-CZ 3.89Å; T167-F169 HydrophobicContact CG2-CD1 3.74Å; T167-F169 HydrophobicContact CG2-CE1 3.37Å; T167-F169 HydrophobicContact CG2-CE2 4.37Å; T167-F169 HydrophobicContact CG2-CG 4.36Å; T167-F169 HydrophobicContact CG2-CZ 3.75Å
170	A	96.3	Very high	96.4	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	112.5	169.9	0	0	0	0	0	109.7	G33 K35 L113 G114 T116	G33-A170 WeakPolarHBondContact O-CA 3.5Å; K35-A170 HydrophobicContact CB-CB 4.14Å; K35-A170 HydrophobicContact CD-CB 4.07Å; K35-A170 WeakPolarHBondContact CD-O 3.48Å; K35-A170 WeakPolarHBondContact CE-O 3.22Å; K35-A170 HydrophobicContact CG-CB 4.33Å; K35-A170 PolarHBondContact NZ-O 2.74Å; L113-A170 WeakPolarHBondContact CA-O 3.34Å; L113-A170 PolarHBondContact O-N 2.77Å; G114-A170 WeakPolarHBondContact O-CB 2.99Å; T116-A170 HydrophobicContact CG2-CB 4Å
171	V	96.4	Very high	96.4	Very high	12 Å²	12	38 Å²	38	7%	0.073	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	134.2	-174.5	-174	0	0	0	0	109.1	G33 T34 K35 L82 L113 S173 L177	G33-V171 PolarHBondContact O-N 3.42Å; T34-V171 CarbonylContact C-O 3.56Å; T34-V171 WeakPolarHBondContact CA-O 3.36Å; K35-V171 PolarHBondContact N-O 3.45Å; L82-V171 HydrophobicContact CD2-CG1 4.16Å; L113-V171 HydrophobicContact CD2-CG2 4.23Å; V171-S173 PolarHBondContact O-N 3.33Å; V171-L177 HydrophobicContact CG1-CB 4.14Å; V171-L177 HydrophobicContact CG2-CB 3.84Å; V171-L177 HydrophobicContact CG2-CD2 3.93Å; V171-L177 HydrophobicContact CG2-CG 4.43Å
172	P	96.5	Very high	96.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	135.3	177	-15.2	27.5	0	0	0	110.2	K35 E36 N38 M112 N174 Y175	K35-P172 HydrophobicContact CG-CB 4.47Å; K35-P172 HydrophobicContact CG-CG 4.49Å; E36-P172 WeakPolarHBondContact O-CB 3.11Å; N38-P172 HydrophobicContact CB-CB 3.84Å; N38-P172 HydrophobicContact CB-CG 3.88Å; M112-P172 WeakPolarHBondContact O-CD 3.37Å; M112-P172 HydrophobicContact SD-CG 4.03Å; P172-N174 WeakPolarHBondContact CB-OD1 3.42Å; P172-N174 PolarHBondContact O-N 2.85Å; P172-Y175 HydrophobicContact CB-CD2 4Å; P172-Y175 HydrophobicContact CG-CD2 4.2Å; P172-Y175 PolarHBondContact O-N 3.37Å
173	S	95.9	Very high	96.4	Very high	71 Å²	71	44.3 Å²	44.3	50%	0.497	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20	-169.9	59.4	0	0	0	0	115.6	K35 V171	K35-S173 PolarHBondContact O-N 3.48Å; V171-S173 PolarHBondContact O-N 3.33Å
174	N	95.4	Very high	96.4	Very high	43 Å²	43	48 Å²	48	23%	0.23	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-5.2	175.9	65.4	-42.5	0	0	0	114.1	P37 N38 L84 P172	P37-N174 VanDerWaalsContact CA-OD1 3.31Å; P37-N174 WeakPolarHBondContact CA-OD1 3.27Å; P37-N174 HydrophobicContact CB-CB 4.06Å; N38-N174 PolarHBondContact N-OD1 2.95Å; N38-N174 PolarHBondContact O-ND2 2.77Å; L84-N174 VanDerWaalsContact CD1-O 3.27Å; L84-N174 WeakPolarHBondContact CD1-O 3.46Å; P172-N174 WeakPolarHBondContact CB-OD1 3.42Å; P172-N174 PolarHBondContact O-N 2.85Å
175	Y	96.7	Very high	96.6	Very high	12 Å²	12	45.9 Å²	45.9	5%	0.047	23%	0.231	C	C	.	.			trans	-110.1	153.8	172.9	-69	-91	0	0	0	111	N38 E40 L82 Q83 L84 K89 P172	N38-Y175 HydrophobicContact CB-CE2 4.25Å; N38-Y175 VanDerWaalsContact O-CE2 3.28Å; N38-Y175 WeakPolarHBondContact O-CE2 3.39Å; E40-Y175 PolarHBondContact OE1-OH 2.9Å; L82-Y175 HydrophobicContact CB-CD1 3.9Å; L82-Y175 HydrophobicContact CB-CE1 4.49Å; L82-Y175 HydrophobicContact CD2-CG 4.39Å; Q83-Y175 WeakPolarHBondContact O-CA 3.36Å; L84-Y175 HydrophobicContact CB-CD1 3.84Å; L84-Y175 HydrophobicContact CB-CE1 3.6Å; L84-Y175 HydrophobicContact CD1-CE1 4.4Å; L84-Y175 HydrophobicContact CD2-CE1 4.07Å; L84-Y175 HydrophobicContact CG-CE1 4.24Å; K89-Y175 HydrophobicContact CD-CE1 4.36Å; K89-Y175 VanDerWaalsContact CE-CE1 3.41Å; K89-Y175 PolarHBondContact NZ-OH 2.86Å; P172-Y175 HydrophobicContact CB-CD2 4Å; P172-Y175 HydrophobicContact CG-CD2 4.2Å; P172-Y175 PolarHBondContact O-N 3.37Å
176	K	95.9	Very high	96.7	Very high	147 Å²	147	46.5 Å²	46.5	64%	0.639	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	140.4	159.5	-62.4	-179.6	179.5	-178.5	0	108.4	Q83	Q83-K176 HydrophobicContact CB-CB 4.27Å; Q83-K176 PolarHBondContact N-O 3.22Å; Q83-K176 PolarHBondContact O-N 2.81Å
177	L	96.6	Very high	96.6	Very high	39 Å²	39	46.2 Å²	46.2	20%	0.204	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	125.3	168.2	-169.4	73.5	0	0	0	108	F32 L80 L81 L82 L113 V171	F32-L177 HydrophobicContact CD1-CD2 3.4Å; F32-L177 HydrophobicContact CE1-CD2 3.25Å; F32-L177 HydrophobicContact CZ-CD2 4.28Å; L80-L177 HydrophobicContact CB-CD1 4.28Å; L81-L177 WeakPolarHBondContact O-CA 3.44Å; L82-L177 HydrophobicContact CD2-CD1 3.88Å; L82-L177 HydrophobicContact CG-CD1 4.38Å; L113-L177 HydrophobicContact CD2-CD1 4.33Å; V171-L177 HydrophobicContact CG1-CB 4.14Å; V171-L177 HydrophobicContact CG2-CB 3.84Å; V171-L177 HydrophobicContact CG2-CD2 3.93Å; V171-L177 HydrophobicContact CG2-CG 4.43Å
178	V	97.2	Very high	96.9	Very high	36 Å²	36	47.3 Å²	47.3	22%	0.218	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.6	-179.5	-56.7	0	0	0	0	109.7	L80 L81 Q83 F88	L80-V178 CarbonylContact C-O 3.56Å; L80-V178 WeakPolarHBondContact CA-O 3.43Å; L81-V178 HydrophobicContact CB-CG2 3.81Å; L81-V178 PolarHBondContact N-O 3.46Å; L81-V178 PolarHBondContact O-N 3.4Å; Q83-V178 HydrophobicContact CB-CG1 4.31Å; F88-V178 HydrophobicContact CD1-CG2 4.03Å; F88-V178 HydrophobicContact CE1-CG2 3.84Å
179	A	98.1	Very high	97	Very high	27 Å²	27	47.2 Å²	47.2	22%	0.223	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	107.6	168.4	0	0	0	0	0	107.8	L27 V71 H78 L80	L27-A179 HydrophobicContact CD1-CB 4.21Å; L27-A179 HydrophobicContact CD2-CB 3.89Å; V71-A179 HydrophobicContact CG2-CB 4.41Å; H78-A179 HydrophobicContact CB-CB 4.03Å; L80-A179 HydrophobicContact CD2-CB 3.99Å
180	A	98.4	Very high	97	Very high	4 Å²	4	59 Å²	59	3%	0.033	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.5	-179.7	0	0	0	0	0	110.1	H78 V79 L81 L185 Y192	H78-A180 CarbonylContact C-O 3.6Å; H78-A180 VanDerWaalsContact CA-O 3.27Å; H78-A180 WeakPolarHBondContact CA-O 3.36Å; V79-A180 PolarHBondContact N-O 3.03Å; V79-A180 PolarHBondContact O-N 2.94Å; L81-A180 HydrophobicContact CD1-CB 3.82Å; A180-L185 HydrophobicContact CB-CD1 4.48Å; A180-L185 HydrophobicContact CB-CD2 3.69Å; A180-L185 HydrophobicContact CB-CG 4.23Å; A180-Y192 HydrophobicContact CB-CE1 4.5Å
181	P	98.5	Very high	97	Very high	11 Å²	11	61.3 Å²	61.3	7%	0.071	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	145.5	179.3	24.1	-30.2	0	0	0	111	L76 H78 F183 E184 L185	L76-P181 HydrophobicContact CD2-CB 3.77Å; L76-P181 HydrophobicContact CG-CB 4.48Å; H78-P181 VanDerWaalsContact CD2-CA 3.49Å; H78-P181 WeakPolarHBondContact CD2-CA 3.48Å; H78-P181 VanDerWaalsContact CD2-N 3.29Å; H78-P181 WeakPolarHBondContact NE2-CB 3.47Å; P181-F183 HydrophobicContact CB-CD1 3.67Å; P181-F183 HydrophobicContact CB-CE1 3.45Å; P181-F183 VanDerWaalsContact CB-CE1 3.45Å; P181-F183 HydrophobicContact CB-CZ 4.15Å; P181-F183 HydrophobicContact CG-CD1 4.05Å; P181-F183 HydrophobicContact CG-CE1 3.48Å; P181-F183 VanDerWaalsContact CG-CE1 3.48Å; P181-F183 HydrophobicContact CG-CE2 4.34Å; P181-F183 HydrophobicContact CG-CZ 3.63Å; P181-F183 PolarHBondContact O-N 2.87Å; P181-F183 VanDerWaalsContact O-N 3.09Å; P181-E184 HydrophobicContact CG-CB 3.94Å; P181-E184 WeakPolarHBondContact O-CB 3.28Å; P181-E184 PolarHBondContact O-N 3.29Å; P181-L185 PolarHBondContact O-N 3.44Å
182	L	98.3	Very high	97.1	Very high	20 Å²	20	61.7 Å²	61.7	11%	0.105	31%	0.312	C	S	.	.	H	α-helix	trans	-56.4	-32.2	-177.5	-70.2	-170.5	0	0	0	113.8	P77 V79 E184 L185 F186 P200 L203 F208	P77-L182 HydrophobicContact CB-CD1 3.9Å; P77-L182 HydrophobicContact CB-CG 4.09Å; P77-L182 HydrophobicContact CG-CB 4.35Å; P77-L182 HydrophobicContact CG-CD1 3.5Å; P77-L182 HydrophobicContact CG-CG 3.82Å; P77-L182 PolarHBondContact O-N 3.43Å; V79-L182 HydrophobicContact CG2-CD2 3.64Å; L182-E184 VanDerWaalsContact C-N 3.27Å; L182-E184 PolarHBondContact O-N 2.67Å; L182-L185 HydrophobicContact CD2-CD1 4.31Å; L182-L185 PolarHBondContact O-N 2.87Å; L182-F186 PolarHBondContact O-N 3.37Å; L182-P200 HydrophobicContact CB-CB 4.34Å; L182-P200 HydrophobicContact CB-CG 4.18Å; L182-P200 HydrophobicContact CD2-CG 4.22Å; L182-P200 WeakPolarHBondContact O-CG 3.38Å; L182-L203 HydrophobicContact CD1-CD1 4.28Å; L182-L203 HydrophobicContact CD2-CD1 3.88Å; L182-F208 HydrophobicContact CD1-CE2 3.97Å; L182-F208 HydrophobicContact CD1-CZ 4.31Å
183	F	97.5	Very high	97.1	Very high	142 Å²	142	62.8 Å²	62.8	62%	0.623	32%	0.324	S	S	*	.	H	α-helix	trans	-66.6	-28.9	178.8	75.9	-103.2	0	0	0	112.8	L76 P181	L76-F183 HydrophobicContact CD2-CD1 3.84Å; L76-F183 HydrophobicContact CD2-CE1 3.68Å; P181-F183 HydrophobicContact CB-CD1 3.67Å; P181-F183 HydrophobicContact CB-CE1 3.45Å; P181-F183 VanDerWaalsContact CB-CE1 3.45Å; P181-F183 HydrophobicContact CB-CZ 4.15Å; P181-F183 HydrophobicContact CG-CD1 4.05Å; P181-F183 HydrophobicContact CG-CE1 3.48Å; P181-F183 VanDerWaalsContact CG-CE1 3.48Å; P181-F183 HydrophobicContact CG-CE2 4.34Å; P181-F183 HydrophobicContact CG-CZ 3.63Å; P181-F183 PolarHBondContact O-N 2.87Å; P181-F183 VanDerWaalsContact O-N 3.09Å
184	E	98.1	Very high	97.1	Very high	81 Å²	81	62.7 Å²	62.7	38%	0.379	32%	0.322	S	S	.	.	H	α-helix	trans	-78.4	-30	179	-170.7	-175	147.3	0	0	111.4	P181 L182 N188 Y192	P181-E184 HydrophobicContact CG-CB 3.94Å; P181-E184 WeakPolarHBondContact O-CB 3.28Å; P181-E184 PolarHBondContact O-N 3.29Å; L182-E184 VanDerWaalsContact C-N 3.27Å; L182-E184 PolarHBondContact O-N 2.67Å; E184-N188 WeakPolarHBondContact O-CB 3.31Å; E184-N188 PolarHBondContact O-ND2 3.45Å; E184-Y192 HydrophobicContact CG-CE2 4.07Å; E184-Y192 PolarHBondContact OE1-OH 3.31Å
185	L	98.5	Very high	97.2	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-75.2	-34.7	175.7	-55.6	-173	0	0	0	111.7	V79 L81 A180 P181 L182 D187 N188 Y192 I196 S197 P200	V79-L185 HydrophobicContact CB-CD1 3.97Å; V79-L185 HydrophobicContact CG2-CD1 3.67Å; L81-L185 HydrophobicContact CD1-CD2 4.09Å; A180-L185 HydrophobicContact CB-CD1 4.48Å; A180-L185 HydrophobicContact CB-CD2 3.69Å; A180-L185 HydrophobicContact CB-CG 4.23Å; P181-L185 PolarHBondContact O-N 3.44Å; L182-L185 HydrophobicContact CD2-CD1 4.31Å; L182-L185 PolarHBondContact O-N 2.87Å; L185-D187 PolarHBondContact O-N 2.93Å; L185-N188 PolarHBondContact O-N 3.17Å; L185-N188 VanDerWaalsContact O-N 3.12Å; L185-Y192 HydrophobicContact CD2-CD1 3.62Å; L185-Y192 HydrophobicContact CD2-CD2 3.71Å; L185-Y192 HydrophobicContact CD2-CE1 3.64Å; L185-Y192 HydrophobicContact CD2-CE2 3.74Å; L185-Y192 HydrophobicContact CD2-CG 3.66Å; L185-I196 HydrophobicContact CD1-CG2 3.92Å; L185-I196 HydrophobicContact CD2-CG2 3.76Å; L185-I196 HydrophobicContact CG-CG2 4.31Å; L185-S197 WeakPolarHBondContact O-CA 3.33Å; L185-S197 VanDerWaalsContact O-CB 3.27Å; L185-S197 WeakPolarHBondContact O-CB 3.23Å; L185-P200 HydrophobicContact CB-CG 4.02Å
186	F	98.2	Very high	97.3	Very high	115 Å²	115	60.8 Å²	60.8	50%	0.504	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	122	-173.5	-176.2	-110.5	0	0	0	111.8	L182 N188 P200 Q201	L182-F186 PolarHBondContact O-N 3.37Å; F186-N188 PolarHBondContact O-N 2.99Å; F186-N188 VanDerWaalsContact O-N 3.12Å; F186-P200 HydrophobicContact CB-CB 4.22Å; F186-P200 HydrophobicContact CB-CG 3.96Å; F186-P200 HydrophobicContact CD2-CB 3.93Å; F186-P200 HydrophobicContact CD2-CG 4.38Å; F186-Q201 HydrophobicContact CD2-CG 4.5Å; F186-Q201 HydrophobicContact CE2-CG 4Å
187	D	94.8	Very high	97.4	Very high	134 Å²	134	54.2 Å²	54.2	72%	0.717	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	25.3	179.7	-158.2	25.7	0	0	0	114.5	L185	L185-D187 PolarHBondContact O-N 2.93Å
188	N	97.5	Very high	97.5	Very high	49 Å²	49	53.3 Å²	53.3	26%	0.262	28%	0.281	S	S	.	.			trans	-111.9	49.5	-177.6	-166.1	1	0	0	0	112.7	E184 L185 F186 R190 A191 Y192	E184-N188 WeakPolarHBondContact O-CB 3.31Å; E184-N188 PolarHBondContact O-ND2 3.45Å; L185-N188 PolarHBondContact O-N 3.17Å; L185-N188 VanDerWaalsContact O-N 3.12Å; F186-N188 PolarHBondContact O-N 2.99Å; F186-N188 VanDerWaalsContact O-N 3.12Å; N188-R190 PolarHBondContact O-N 3.33Å; N188-R190 VanDerWaalsContact O-N 3.14Å; N188-A191 PolarHBondContact O-N 3.27Å; N188-A191 WeakPolarHBondContact OD1-CB 3.33Å; N188-A191 PolarHBondContact OD1-N 3.29Å; N188-Y192 HydrophobicContact CB-CD2 4.13Å; N188-Y192 PolarHBondContact O-N 2.77Å
189	A	96.4	Very high	97.5	Very high	47 Å²	47	51.6 Å²	51.6	39%	0.388	27%	0.271	S	S	.	.	H	α-helix	trans	-62.5	-21	179.5	0	0	0	0	0	113	G193 S197	A189-G193 WeakPolarHBondContact O-CA 3.45Å; A189-G193 PolarHBondContact O-N 3.02Å; A189-S197 WeakPolarHBondContact CA-OG 3.1Å; A189-S197 WeakPolarHBondContact CB-OG 3.41Å
190	R	96.3	Very high	97.5	Very high	248 Å²	248	51.2 Å²	51.2	94%	0.936	27%	0.266	S	S	*	.	H	α-helix	trans	-65.5	-41.3	177.1	-175.9	179	178.2	179.4	-0.2	112.3	N188	N188-R190 PolarHBondContact O-N 3.33Å; N188-R190 VanDerWaalsContact O-N 3.14Å
191	A	96.6	Very high	97.5	Very high	49 Å²	49	55.1 Å²	55.1	41%	0.405	28%	0.284	S	S	.	.	H	α-helix	trans	-89.6	-41	179.2	0	0	0	0	0	112.1	N188	N188-A191 PolarHBondContact O-N 3.27Å; N188-A191 WeakPolarHBondContact OD1-CB 3.33Å; N188-A191 PolarHBondContact OD1-N 3.29Å
192	Y	97.7	Very high	97.4	Very high	20 Å²	20	56.3 Å²	56.3	8%	0.078	29%	0.291	C	S	.	.	H	α-helix	trans	-106.6	-8.9	-167.5	-70	-73.8	0	0	0	114.4	L81 F88 A180 E184 L185 N188 I196	L81-Y192 HydrophobicContact CD1-CD1 3.82Å; L81-Y192 HydrophobicContact CD1-CE1 3.74Å; F88-Y192 HydrophobicContact CB-CD1 3.97Å; F88-Y192 HydrophobicContact CB-CE1 4.29Å; F88-Y192 HydrophobicContact CD1-CE1 4.06Å; F88-Y192 AromaticContact CD2-CD1 3.77Å; F88-Y192 HydrophobicContact CD2-CD1 3.77Å; F88-Y192 AromaticContact CD2-CE1 3.63Å; F88-Y192 HydrophobicContact CD2-CE1 3.63Å; F88-Y192 HydrophobicContact CE1-CE1 4.3Å; F88-Y192 HydrophobicContact CE2-CD1 4.43Å; F88-Y192 AromaticContact CE2-CE1 3.89Å; F88-Y192 HydrophobicContact CE2-CE1 3.89Å; F88-Y192 AromaticContact CG-CD1 3.85Å; F88-Y192 HydrophobicContact CG-CD1 3.85Å; F88-Y192 AromaticContact CG-CE1 3.71Å; F88-Y192 HydrophobicContact CG-CE1 3.71Å; F88-Y192 HydrophobicContact CZ-CE1 4.21Å; A180-Y192 HydrophobicContact CB-CE1 4.5Å; E184-Y192 HydrophobicContact CG-CE2 4.07Å; E184-Y192 PolarHBondContact OE1-OH 3.31Å; L185-Y192 HydrophobicContact CD2-CD1 3.62Å; L185-Y192 HydrophobicContact CD2-CD2 3.71Å; L185-Y192 HydrophobicContact CD2-CE1 3.64Å; L185-Y192 HydrophobicContact CD2-CE2 3.74Å; L185-Y192 HydrophobicContact CD2-CG 3.66Å; N188-Y192 HydrophobicContact CB-CD2 4.13Å; N188-Y192 PolarHBondContact O-N 2.77Å; Y192-I196 HydrophobicContact CD1-CG2 3.99Å; Y192-I196 HydrophobicContact CG-CG2 4.12Å; Y192-I196 WeakPolarHBondContact O-CB 3.2Å; Y192-I196 WeakPolarHBondContact O-CD1 3.26Å
193	G	96.1	Very high	97.4	Very high	23 Å²	23	55.4 Å²	55.4	24%	0.237	29%	0.286	C	S	.	.	H	α-helix	trans	73.1	164.2	-172.5	0	0	0	0	0	113	A189 I195 S197	A189-G193 WeakPolarHBondContact O-CA 3.45Å; A189-G193 PolarHBondContact O-N 3.02Å; G193-I195 VanDerWaalsContact C-N 3.31Å; G193-I195 PolarHBondContact O-N 2.93Å; G193-S197 WeakPolarHBondContact O-CB 3.12Å; G193-S197 PolarHBondContact O-N 2.98Å; G193-S197 PolarHBondContact O-OG 3.36Å
194	P	96.8	Very high	97.3	Very high	70 Å²	70	53.2 Å²	53.2	46%	0.455	29%	0.288	S	S	.	.	H	α-helix	trans	-65.7	-28.9	-167.2	24.8	-35.3	0	0	0	114.3	W132 S197 S198	W132-P194 HydrophobicContact CH2-CB 4.32Å; W132-P194 HydrophobicContact CZ3-CB 4.3Å; P194-S197 PolarHBondContact O-OG 3.27Å; P194-S198 VanDerWaalsContact O-CB 3.3Å; P194-S198 WeakPolarHBondContact O-CB 3.36Å; P194-S198 PolarHBondContact O-N 3.07Å; P194-S198 PolarHBondContact O-OG 2.9Å
195	I	97.8	Very high	97.2	Very high	7 Å²	7	55.4 Å²	55.4	4%	0.036	29%	0.293	C	S	.	.	H	α-helix	trans	-71.6	-58.2	-179.7	-67.4	-178.3	0	0	0	110	L90 W132 L158 G193 S197 S198	L90-I195 HydrophobicContact CD1-CG2 4.06Å; W132-I195 HydrophobicContact CB-CD1 4.4Å; W132-I195 HydrophobicContact CD2-CD1 4.23Å; W132-I195 HydrophobicContact CD2-CG1 3.73Å; W132-I195 HydrophobicContact CE3-CD1 4.5Å; W132-I195 HydrophobicContact CE3-CG1 3.89Å; W132-I195 HydrophobicContact CG-CD1 4.17Å; W132-I195 HydrophobicContact CG-CG1 4.15Å; W132-I195 HydrophobicContact CH2-CG1 4.37Å; W132-I195 HydrophobicContact CZ2-CG1 4.24Å; W132-I195 HydrophobicContact CZ3-CG1 4.2Å; L158-I195 HydrophobicContact CD1-CG2 3.73Å; L158-I195 HydrophobicContact CD2-CG2 3.95Å; G193-I195 VanDerWaalsContact C-N 3.31Å; G193-I195 PolarHBondContact O-N 2.93Å; I195-S197 VanDerWaalsContact C-N 3.32Å; I195-S197 PolarHBondContact O-N 2.8Å; I195-S198 PolarHBondContact O-N 2.68Å; I195-S198 VanDerWaalsContact O-N 3.14Å; I195-S198 PolarHBondContact O-OG 3.44Å
196	I	98.6	Very high	97.1	Very high	8 Å²	8	56 Å²	56	4%	0.041	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-40.9	-177.2	-66.1	162.2	0	0	0	110.2	L81 F88 L90 L185 Y192 S198 L199	L81-I196 HydrophobicContact CD1-CG2 3.92Å; L81-I196 HydrophobicContact CD2-CD1 4.01Å; L81-I196 HydrophobicContact CD2-CG1 4.18Å; L81-I196 HydrophobicContact CD2-CG2 4.15Å; F88-I196 HydrophobicContact CB-CD1 4.2Å; L90-I196 HydrophobicContact CD1-CG1 4.08Å; L90-I196 HydrophobicContact CG-CD1 4.48Å; L90-I196 HydrophobicContact CG-CG1 3.98Å; L185-I196 HydrophobicContact CD1-CG2 3.92Å; L185-I196 HydrophobicContact CD2-CG2 3.76Å; L185-I196 HydrophobicContact CG-CG2 4.31Å; Y192-I196 HydrophobicContact CD1-CG2 3.99Å; Y192-I196 HydrophobicContact CG-CG2 4.12Å; Y192-I196 WeakPolarHBondContact O-CB 3.2Å; Y192-I196 WeakPolarHBondContact O-CD1 3.26Å; I196-S198 PolarHBondContact O-N 2.94Å; I196-L199 HydrophobicContact CG2-CD1 4.33Å; I196-L199 WeakPolarHBondContact O-CB 3.27Å; I196-L199 WeakPolarHBondContact O-CG 3.28Å; I196-L199 PolarHBondContact O-N 3.14Å; I196-L199 VanDerWaalsContact O-N 3.1Å
197	S	98.1	Very high	97	Very high	8 Å²	8	54.3 Å²	54.3	6%	0.056	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-13.7	179.9	69.1	0	0	0	0	114.5	L185 A189 G193 P194 I195 Q201	L185-S197 WeakPolarHBondContact O-CA 3.33Å; L185-S197 VanDerWaalsContact O-CB 3.27Å; L185-S197 WeakPolarHBondContact O-CB 3.23Å; A189-S197 WeakPolarHBondContact CA-OG 3.1Å; A189-S197 WeakPolarHBondContact CB-OG 3.41Å; G193-S197 WeakPolarHBondContact O-CB 3.12Å; G193-S197 PolarHBondContact O-N 2.98Å; G193-S197 PolarHBondContact O-OG 3.36Å; P194-S197 PolarHBondContact O-OG 3.27Å; I195-S197 VanDerWaalsContact C-N 3.32Å; I195-S197 PolarHBondContact O-N 2.8Å; S197-Q201 PolarHBondContact O-OE1 3.1Å
198	S	97.7	Very high	97.2	Very high	20 Å²	20	50.1 Å²	50.1	14%	0.14	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-12	174.5	76.1	0	0	0	0	113.7	W132 P194 I195 I196 P200 Q201 V202	W132-S198 WeakPolarHBondContact CZ2-OG 3.41Å; P194-S198 VanDerWaalsContact O-CB 3.3Å; P194-S198 WeakPolarHBondContact O-CB 3.36Å; P194-S198 PolarHBondContact O-N 3.07Å; P194-S198 PolarHBondContact O-OG 2.9Å; I195-S198 PolarHBondContact O-N 2.68Å; I195-S198 VanDerWaalsContact O-N 3.14Å; I195-S198 PolarHBondContact O-OG 3.44Å; I196-S198 PolarHBondContact O-N 2.94Å; S198-P200 VanDerWaalsContact C-CD 3.49Å; S198-Q201 VanDerWaalsContact C-OE1 3.24Å; S198-Q201 PolarHBondContact O-N 3.15Å; S198-Q201 PolarHBondContact O-OE1 3.31Å; S198-Q201 VanDerWaalsContact O-OE1 3.06Å; S198-V202 WeakPolarHBondContact O-CG2 3.34Å; S198-V202 PolarHBondContact O-N 3.38Å; S198-V202 VanDerWaalsContact O-N 3.08Å
199	L	98.5	Very high	97.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.5	-41.4	-175	-66.8	176.9	0	0	0	113	I68 V79 L90 I129 L158 I196 Q201 V202 L203	I68-L199 HydrophobicContact CD1-CD1 4.05Å; I68-L199 HydrophobicContact CD1-CD2 3.73Å; I68-L199 HydrophobicContact CG1-CD2 4.07Å; I68-L199 HydrophobicContact CG2-CD1 4.34Å; V79-L199 HydrophobicContact CG1-CD1 4.09Å; V79-L199 HydrophobicContact CG2-CD1 4.09Å; L90-L199 HydrophobicContact CD1-CD1 4.47Å; L90-L199 HydrophobicContact CD2-CD1 4.29Å; I129-L199 HydrophobicContact CD1-CD2 4.47Å; L158-L199 HydrophobicContact CD1-CD2 4.33Å; I196-L199 HydrophobicContact CG2-CD1 4.33Å; I196-L199 WeakPolarHBondContact O-CB 3.27Å; I196-L199 WeakPolarHBondContact O-CG 3.28Å; I196-L199 PolarHBondContact O-N 3.14Å; I196-L199 VanDerWaalsContact O-N 3.1Å; L199-Q201 VanDerWaalsContact C-N 3.29Å; L199-Q201 PolarHBondContact O-N 2.77Å; L199-V202 PolarHBondContact O-N 3.22Å; L199-L203 HydrophobicContact CB-CD1 4.16Å; L199-L203 WeakPolarHBondContact O-CB 3.13Å; L199-L203 WeakPolarHBondContact O-CG 3.48Å; L199-L203 PolarHBondContact O-N 3.34Å
200	P	98.4	Very high	97.3	Very high	20 Å²	20	50.6 Å²	50.6	13%	0.13	26%	0.263	C	S	.	.	H	α-helix	trans	-59.8	-38.2	178.6	-23.7	34.7	0	0	0	113	L182 L185 F186 S198 S204	L182-P200 HydrophobicContact CB-CB 4.34Å; L182-P200 HydrophobicContact CB-CG 4.18Å; L182-P200 HydrophobicContact CD2-CG 4.22Å; L182-P200 WeakPolarHBondContact O-CG 3.38Å; L185-P200 HydrophobicContact CB-CG 4.02Å; F186-P200 HydrophobicContact CB-CB 4.22Å; F186-P200 HydrophobicContact CB-CG 3.96Å; F186-P200 HydrophobicContact CD2-CB 3.93Å; F186-P200 HydrophobicContact CD2-CG 4.38Å; S198-P200 VanDerWaalsContact C-CD 3.49Å; P200-S204 PolarHBondContact O-N 2.96Å; P200-S204 VanDerWaalsContact O-N 3.11Å
201	Q	97.1	Very high	97.3	Very high	85 Å²	85	42.1 Å²	42.1	40%	0.397	24%	0.236	S	C	.	.	H	α-helix	trans	-67.2	-46.7	175.9	-63.4	87.5	-27.3	0	0	111	F186 S197 S198 L199 L203 S204	F186-Q201 HydrophobicContact CD2-CG 4.5Å; F186-Q201 HydrophobicContact CE2-CG 4Å; S197-Q201 PolarHBondContact O-OE1 3.1Å; S198-Q201 VanDerWaalsContact C-OE1 3.24Å; S198-Q201 PolarHBondContact O-N 3.15Å; S198-Q201 PolarHBondContact O-OE1 3.31Å; S198-Q201 VanDerWaalsContact O-OE1 3.06Å; L199-Q201 VanDerWaalsContact C-N 3.29Å; L199-Q201 PolarHBondContact O-N 2.77Å; Q201-L203 VanDerWaalsContact C-N 3.32Å; Q201-L203 PolarHBondContact O-N 2.7Å; Q201-S204 WeakPolarHBondContact O-CB 3.45Å; Q201-S204 PolarHBondContact O-N 2.8Å; Q201-S204 PolarHBondContact O-OG 3.46Å
202	V	96.4	Very high	96.9	Very high	36 Å²	36	46.5 Å²	46.5	22%	0.218	25%	0.252	C	S	.	.	H	α-helix	trans	-64	-39.8	-180	170.6	0	0	0	0	111.5	I129 S198 L199 S204	I129-V202 HydrophobicContact CB-CG1 3.61Å; I129-V202 HydrophobicContact CD1-CG1 3.82Å; I129-V202 HydrophobicContact CG1-CG1 3.78Å; I129-V202 WeakPolarHBondContact O-CG1 3.37Å; S198-V202 WeakPolarHBondContact O-CG2 3.34Å; S198-V202 PolarHBondContact O-N 3.38Å; S198-V202 VanDerWaalsContact O-N 3.08Å; L199-V202 PolarHBondContact O-N 3.22Å; V202-S204 VanDerWaalsContact C-N 3.33Å
203	L	98	Very high	96.9	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-78	-16.2	-178.1	-69.6	171.5	0	0	0	113.4	L70 I129 L160 L182 L199 Q201 R205 F206 F208	L70-L203 HydrophobicContact CD1-CD1 4.23Å; L70-L203 HydrophobicContact CD1-CD2 4.08Å; L70-L203 HydrophobicContact CD2-CD1 3.94Å; I129-L203 HydrophobicContact CD1-CD2 3.74Å; I129-L203 HydrophobicContact CD1-CG 4.39Å; L160-L203 HydrophobicContact CD1-CD2 4.29Å; L160-L203 HydrophobicContact CD2-CD2 4.36Å; L182-L203 HydrophobicContact CD1-CD1 4.28Å; L182-L203 HydrophobicContact CD2-CD1 3.88Å; L199-L203 HydrophobicContact CB-CD1 4.16Å; L199-L203 WeakPolarHBondContact O-CB 3.13Å; L199-L203 WeakPolarHBondContact O-CG 3.48Å; L199-L203 PolarHBondContact O-N 3.34Å; Q201-L203 VanDerWaalsContact C-N 3.32Å; Q201-L203 PolarHBondContact O-N 2.7Å; L203-R205 PolarHBondContact O-N 3.22Å; L203-F206 HydrophobicContact CD2-CD2 4.13Å; L203-F206 HydrophobicContact CD2-CE2 4.26Å; L203-F206 WeakPolarHBondContact O-CD2 3.5Å; L203-F206 PolarHBondContact O-N 3.41Å; L203-F208 HydrophobicContact CB-CZ 4.09Å
204	S	96	Very high	96.9	Very high	96 Å²	96	49.1 Å²	49.1	67%	0.671	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.1	-179.7	70.8	0	0	0	0	114.5	P200 Q201 V202 F206	P200-S204 PolarHBondContact O-N 2.96Å; P200-S204 VanDerWaalsContact O-N 3.11Å; Q201-S204 WeakPolarHBondContact O-CB 3.45Å; Q201-S204 PolarHBondContact O-N 2.8Å; Q201-S204 PolarHBondContact O-OG 3.46Å; V202-S204 VanDerWaalsContact C-N 3.33Å; S204-F206 VanDerWaalsContact C-N 3.29Å
205	R	95.4	Very high	96.9	Very high	127 Å²	127	47.9 Å²	47.9	48%	0.479	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-9.7	176.5	78.7	-176.2	-149.6	168.3	1.3	114.2	A19 D127 L203	A19-R205 WeakPolarHBondContact CB-O 3.26Å; D127-R205 IonicContact OD1-NH2 3.7Å; D127-R205 PolarHBondContact OD1-NH2 3.24Å; D127-R205 IonicContact OD2-CZ 3.49Å; D127-R205 IonicContact OD2-NH2 2.64Å; D127-R205 PolarHBondContact OD2-NH2 2.99Å; L203-R205 PolarHBondContact O-N 3.22Å
206	F	97.2	Very high	96.9	Very high	12 Å²	12	50.4 Å²	50.4	5%	0.053	26%	0.264	C	S	.	.	S	Bend	trans	-102	148	-179	-60.2	-79.5	0	0	0	110.8	K20 I22 D127 I129 L160 L203 S204 F208	K20-F206 HydrophobicContact CB-CD1 3.97Å; K20-F206 HydrophobicContact CB-CE1 4.22Å; K20-F206 HydrophobicContact CD-CE1 4.27Å; K20-F206 HydrophobicContact CG-CD1 4.35Å; K20-F206 HydrophobicContact CG-CE1 4.48Å; K20-F206 WeakPolarHBondContact O-CA 3.2Å; I22-F206 HydrophobicContact CD1-CD1 4.1Å; I22-F206 HydrophobicContact CD1-CE1 4.4Å; I22-F206 HydrophobicContact CG1-CB 4.01Å; I22-F206 HydrophobicContact CG1-CD1 3.7Å; I22-F206 HydrophobicContact CG1-CE1 4.42Å; I22-F206 HydrophobicContact CG1-CG 3.97Å; D127-F206 HydrophobicContact CB-CE1 4.35Å; D127-F206 HydrophobicContact CB-CZ 4.09Å; D127-F206 WeakPolarHBondContact OD2-CE1 3.31Å; D127-F206 WeakPolarHBondContact OD2-CZ 3.49Å; I129-F206 HydrophobicContact CG2-CE2 3.73Å; I129-F206 HydrophobicContact CG2-CZ 3.63Å; L160-F206 HydrophobicContact CD2-CD1 4.47Å; L160-F206 HydrophobicContact CD2-CD2 4.26Å; L160-F206 HydrophobicContact CD2-CE1 4.27Å; L160-F206 HydrophobicContact CD2-CE2 4.06Å; L160-F206 HydrophobicContact CD2-CG 4.47Å; L160-F206 HydrophobicContact CD2-CZ 4.05Å; L203-F206 HydrophobicContact CD2-CD2 4.13Å; L203-F206 HydrophobicContact CD2-CE2 4.26Å; L203-F206 WeakPolarHBondContact O-CD2 3.5Å; L203-F206 PolarHBondContact O-N 3.41Å; S204-F206 VanDerWaalsContact C-N 3.29Å; F206-F208 HydrophobicContact CB-CE1 4.23Å
207	N	96.8	Very high	96.8	Very high	80 Å²	80	53 Å²	53	43%	0.428	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	132.9	164.1	-68.1	-32.7	0	0	0	108.8	A19 K20 T21 I22	A19-N207 PolarHBondContact O-ND2 3.45Å; K20-N207 PolarHBondContact O-N 2.79Å; T21-N207 CarbonylContact C-O 3.57Å; T21-N207 VanDerWaalsContact CA-O 3.31Å; T21-N207 WeakPolarHBondContact CA-O 3.41Å; T21-N207 HydrophobicContact CG2-CB 4.47Å; I22-N207 PolarHBondContact N-O 3.15Å
208	F	97.6	Very high	96.7	Very high	46 Å²	46	56 Å²	56	20%	0.202	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	122.8	173.3	-61.6	-41.5	0	0	0	110.8	I22 L24 L70 P77 L182 L203 F206 Y210	I22-F208 HydrophobicContact CB-CD1 4.32Å; L24-F208 HydrophobicContact CD1-CB 4.1Å; L24-F208 HydrophobicContact CD1-CD1 3.97Å; L24-F208 HydrophobicContact CD1-CD2 4.4Å; L24-F208 HydrophobicContact CD1-CE1 4.49Å; L24-F208 HydrophobicContact CD1-CG 3.91Å; L24-F208 HydrophobicContact CD2-CD1 4.5Å; L24-F208 HydrophobicContact CG-CB 4.43Å; L24-F208 HydrophobicContact CG-CD1 4.25Å; L24-F208 HydrophobicContact CG-CG 4.48Å; L70-F208 HydrophobicContact CD1-CE1 3.71Å; L70-F208 HydrophobicContact CD1-CZ 4.06Å; P77-F208 HydrophobicContact CB-CD2 3.97Å; P77-F208 HydrophobicContact CB-CE2 3.83Å; P77-F208 HydrophobicContact CB-CZ 4.46Å; P77-F208 HydrophobicContact CG-CD2 3.96Å; P77-F208 HydrophobicContact CG-CE2 3.82Å; L182-F208 HydrophobicContact CD1-CE2 3.97Å; L182-F208 HydrophobicContact CD1-CZ 4.31Å; L203-F208 HydrophobicContact CB-CZ 4.09Å; F206-F208 HydrophobicContact CB-CE1 4.23Å; F208-Y210 HydrophobicContact CB-CE1 4.22Å; F208-Y210 HydrophobicContact CB-CE2 4.03Å
209	A	98	Very high	96.6	Very high	30 Å²	30	58.6 Å²	58.6	25%	0.248	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	117.5	168.4	0	0	0	0	0	108.5	T21 I22 T23 L24	T21-A209 HydrophobicContact CG2-CB 3.78Å; I22-A209 PolarHBondContact O-N 3.48Å; T23-A209 CarbonylContact C-O 3.56Å; T23-A209 WeakPolarHBondContact CA-O 3.22Å; L24-A209 PolarHBondContact N-O 2.85Å
210	Y	98.1	Very high	96.5	Very high	76 Å²	76	63.1 Å²	63.1	30%	0.298	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118.4	-180	-54.5	-81.9	0	0	0	109.6	L24 H72 N75 P77 F208	L24-Y210 HydrophobicContact CB-CD1 4.26Å; L24-Y210 HydrophobicContact CD1-CD1 4.33Å; L24-Y210 HydrophobicContact CD1-CE1 3.88Å; H72-Y210 HydrophobicContact CB-CD1 3.63Å; H72-Y210 HydrophobicContact CB-CE1 3.94Å; H72-Y210 AromaticContact CD2-CD1 3.95Å; H72-Y210 AromaticContact CG-CD1 3.67Å; N75-Y210 VanDerWaalsContact C-CE1 3.49Å; N75-Y210 HydrophobicContact CB-CD1 4.2Å; N75-Y210 HydrophobicContact CB-CD2 4.02Å; N75-Y210 HydrophobicContact CB-CE2 4.45Å; N75-Y210 HydrophobicContact CB-CG 3.89Å; N75-Y210 VanDerWaalsContact O-CE1 3.26Å; N75-Y210 WeakPolarHBondContact O-CE1 3.47Å; N75-Y210 PolarHBondContact O-OH 3.25Å; N75-Y210 WeakPolarHBondContact OD1-CB 3.48Å; P77-Y210 WeakPolarHBondContact CD-OH 3.48Å; F208-Y210 HydrophobicContact CB-CE1 4.22Å; F208-Y210 HydrophobicContact CB-CE2 4.03Å
211	N	95.9	Very high	96.3	Very high	70 Å²	70	66.7 Å²	66.7	37%	0.374	34%	0.344	S	S	.	.			trans	-119.5	113.6	-178.6	-75.5	4	0	0	0	109.4	T23 L24 Y25 P26 H72	T23-N211 HydrophobicContact CG2-CB 4.03Å; T23-N211 VanDerWaalsContact CG2-ND2 3.26Å; T23-N211 WeakPolarHBondContact CG2-ND2 3.37Å; L24-N211 PolarHBondContact O-N 2.99Å; Y25-N211 HydrophobicContact CD1-CB 3.85Å; Y25-N211 HydrophobicContact CE1-CB 3.8Å; P26-N211 WeakPolarHBondContact CD-O 3.36Å; H72-N211 PolarHBondContact NE2-O 3.48Å
212	D	89.4	Confident	96.2	Very high	141 Å²	141	65 Å²	65	75%	0.754	34%	0.339	S	S	*	.			trans	-76.6	0	-179.1	-76.2	-48.7	0	0	0	115.4	P26 H72	P26-D212 WeakPolarHBondContact CG-OXT 3.43Å; H72-D212 IonicContact CE1-OD1 2.74Å; H72-D212 PolarHBondContact CE1-OD1 2.99Å

Retrieved 212 of 212 residues in 53.3 ms (Link to these results)

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