A0A087XCR9_POEFO Loading...

Mast cell protease 3-like

AlphaFold DB , UniProt , Accession A0A087XCR9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 244 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.1	Very low	43.5	Very low	226 Å²	226	165.7 Å²	165.7	100%	1.113	83%	0.826	S	S	*	*				0	102.2	0	-77.6	164.2	70.9	0	0	108.1
2	T	40.2	Very low	43.2	Very low	142 Å²	142	159.2 Å²	159.2	87%	0.871	82%	0.817	S	S	*	*			trans	-138.8	114.1	170.6	31.9	0	0	0	0	107.2
3	F	42.1	Very low	42.7	Very low	190 Å²	190	163.2 Å²	163.2	83%	0.833	83%	0.825	S	S	*	*			trans	-67.6	128.3	-172.8	-94.7	-103.7	0	0	0	110.8	F5	F3-F5 PolarHBondContact O-N 2.62Å
4	R	41.8	Very low	42.3	Very low	229 Å²	229	164.6 Å²	164.6	86%	0.864	83%	0.827	S	S	*	*			trans	-71.7	115.6	166.7	-78.3	-177.1	170.6	-173	-2.7	108.8	I6	R4-I6 PolarHBondContact O-N 3.32Å
5	F	45.4	Very low	41.8	Very low	201 Å²	201	158.3 Å²	158.3	88%	0.882	82%	0.82	S	S	*	*			trans	-78	106.8	162.7	-97.2	-92.3	0	0	0	108.5	F3	F3-F5 PolarHBondContact O-N 2.62Å
6	I	50.4	Low	41.4	Very low	136 Å²	136	154.3 Å²	154.3	70%	0.697	82%	0.818	S	S	*	*			trans	-86.8	106.9	167.7	-64.6	174	0	0	0	106.7	R4 L8	R4-I6 PolarHBondContact O-N 3.32Å; I6-L8 HydrophobicContact CG2-CG 4.35Å; I6-L8 PolarHBondContact O-N 3.49Å
7	L	43.5	Very low	41.3	Very low	147 Å²	147	156.3 Å²	156.3	77%	0.77	82%	0.822	S	S	*	*			trans	-80.5	95.3	172.6	-164	77.3	0	0	0	108.4	L9	L7-L9 HydrophobicContact CD2-CD1 3.93Å; L7-L9 PolarHBondContact O-N 3.02Å; L7-L9 VanDerWaalsContact O-N 3.12Å
8	L	41.8	Very low	40.9	Very low	145 Å²	145	150.6 Å²	150.6	76%	0.759	81%	0.807	S	S	*	*			trans	-73.7	93.7	170	-92.2	148.2	0	0	0	109	I6 L10	I6-L8 HydrophobicContact CG2-CG 4.35Å; I6-L8 PolarHBondContact O-N 3.49Å; L8-L10 VanDerWaalsContact C-N 3.35Å; L8-L10 PolarHBondContact O-N 3.49Å
9	L	43.2	Very low	40.5	Very low	134 Å²	134	148.1 Å²	148.1	70%	0.702	80%	0.797	S	S	*	*			trans	-71.7	90	166.2	-97.1	129.3	0	0	0	109.4	L7 C11	L7-L9 HydrophobicContact CD2-CD1 3.93Å; L7-L9 PolarHBondContact O-N 3.02Å; L7-L9 VanDerWaalsContact O-N 3.12Å; L9-C11 VanDerWaalsContact C-N 3.31Å; L9-C11 PolarHBondContact O-N 3.25Å; L9-C11 VanDerWaalsContact O-N 3.17Å
10	L	48.2	Very low	40.7	Very low	167 Å²	167	143.2 Å²	143.2	87%	0.874	77%	0.768	S	S	*	*			trans	-74.8	85.8	158.3	-86.1	152.5	0	0	0	108.1	L8	L8-L10 VanDerWaalsContact C-N 3.35Å; L8-L10 PolarHBondContact O-N 3.49Å
11	C	37.7	Very low	41.3	Very low	106 Å²	106	136.3 Å²	136.3	72%	0.716	73%	0.732	S	S	*	*			trans	-95.8	115.9	162.6	-86.8	0	0	0	0	108.4	L9	L9-C11 VanDerWaalsContact C-N 3.31Å; L9-C11 PolarHBondContact O-N 3.25Å; L9-C11 VanDerWaalsContact O-N 3.17Å
12	A	40	Very low	41.9	Very low	87 Å²	87	126.1 Å²	126.1	72%	0.719	68%	0.682	S	S	*	*			trans	-44.4	137.1	177.9	0	0	0	0	0	112.2	Q14	A12-Q14 PolarHBondContact O-N 2.93Å
13	F	36.1	Very low	43.2	Very low	212 Å²	212	120.7 Å²	120.7	93%	0.93	65%	0.654	S	S	*	*			trans	-59.9	91.1	159.3	-80	-88.1	0	0	0	107.9	G15	F13-G15 VanDerWaalsContact C-N 3.28Å; F13-G15 PolarHBondContact O-N 2.71Å
14	Q	37.5	Very low	44.8	Very low	182 Å²	182	112.5 Å²	112.5	85%	0.85	62%	0.623	S	S	*	*			trans	-65.9	100.7	154.2	-74.7	-174.8	-21	0	0	105.2	A12 A16	A12-Q14 PolarHBondContact O-N 2.93Å; Q14-A16 VanDerWaalsContact C-N 3.31Å; Q14-A16 PolarHBondContact O-N 2.61Å
15	G	35	Very low	47.1	Very low	70 Å²	70	107.1 Å²	107.1	72%	0.722	61%	0.606	S	S	*	*			trans	-56.1	102.7	163.1	0	0	0	0	0	107	F13 E17	F13-G15 VanDerWaalsContact C-N 3.28Å; F13-G15 PolarHBondContact O-N 2.71Å; G15-E17 PolarHBondContact O-N 3.17Å
16	A	36	Very low	49.4	Very low	95 Å²	95	99.6 Å²	99.6	79%	0.785	58%	0.575	S	S	*	*			trans	-61.7	110.7	170.6	0	0	0	0	0	106.3	Q14 G18	Q14-A16 VanDerWaalsContact C-N 3.31Å; Q14-A16 PolarHBondContact O-N 2.61Å; A16-G18 PolarHBondContact O-N 3.44Å
17	E	39.4	Very low	51.5	Low	188 Å²	188	93.3 Å²	93.3	88%	0.879	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-52.4	116.2	173.4	-75.8	-166.4	144.3	0	0	108.5	G15 T19	G15-E17 PolarHBondContact O-N 3.17Å; E17-T19 PolarHBondContact O-N 2.7Å
18	G	33.7	Very low	54.1	Low	54 Å²	54	91 Å²	91	56%	0.557	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-55.2	127.4	-175.6	0	0	0	0	0	111.1	A16	A16-G18 PolarHBondContact O-N 3.44Å
19	T	32.5	Very low	56.6	Low	102 Å²	102	87.7 Å²	87.7	63%	0.626	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-72.3	136.7	175.6	40.1	0	0	0	0	109.8	E17 I144	E17-T19 PolarHBondContact O-N 2.7Å; T19-I144 WeakPolarHBondContact O-CD1 3.12Å
20	K	45.2	Very low	59.1	Low	50 Å²	50	84 Å²	84	22%	0.217	50%	0.502	C	S	.	.	B	Isolated β-bridge	trans	-123.7	174.7	-170.6	-75.9	156.1	-175.8	179.6	0	108.2	V22 G23 G24 D26 Q155	K20-V22 PolarHBondContact O-N 3.48Å; K20-G23 PolarHBondContact O-N 3.08Å; K20-G24 PolarHBondContact O-N 3.37Å; K20-G24 VanDerWaalsContact O-N 3.07Å; K20-D26 HydrophobicContact CD-CB 4.13Å; K20-D26 VanDerWaalsContact CD-N 3.26Å; K20-D26 WeakPolarHBondContact CD-OD1 3.43Å; K20-D26 WeakPolarHBondContact CE-OD1 3.44Å; K20-D26 VanDerWaalsContact CE-OD2 3.29Å; K20-D26 WeakPolarHBondContact CE-OD2 3.47Å; K20-D26 IonicContact NZ-OD1 3.33Å; K20-D26 PolarHBondContact NZ-OD1 2.98Å; K20-D26 VanDerWaalsContact NZ-OD1 3.11Å; K20-D26 IonicContact NZ-OD2 3.88Å; K20-D26 PolarHBondContact NZ-OD2 2.95Å; K20-Q155 HydrophobicContact CB-CB 4.42Å; K20-Q155 HydrophobicContact CB-CG 3.88Å; K20-Q155 HydrophobicContact CG-CG 4.32Å
21	I	53.9	Low	61.5	Low	0 Å²	0	77.9 Å²	77.9	0%	0	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-6.1	105.2	-172	-95	-179.4	0	0	0	110.9	G23 G24 G140 I144 Q155 V157 G191 D196	I21-G23 CarbonylContact O-C 3.59Å; I21-G23 PolarHBondContact O-N 3.32Å; I21-G24 WeakPolarHBondContact O-CA 3.48Å; I21-G24 PolarHBondContact O-N 2.77Å; I21-G140 WeakPolarHBondContact CD1-O 3.13Å; I21-I144 VanDerWaalsContact N-CG2 3.35Å; I21-Q155 HydrophobicContact CB-CB 3.61Å; I21-Q155 HydrophobicContact CB-CG 4.4Å; I21-Q155 HydrophobicContact CD1-CB 3.61Å; I21-Q155 HydrophobicContact CG1-CB 3.4Å; I21-Q155 VanDerWaalsContact CG1-CB 3.4Å; I21-Q155 HydrophobicContact CG1-CG 4.11Å; I21-V157 HydrophobicContact CG2-CB 3.86Å; I21-V157 HydrophobicContact CG2-CG1 3.56Å; I21-G191 WeakPolarHBondContact CG2-O 3.36Å; I21-D196 WeakPolarHBondContact CD1-OD1 3.36Å
22	V	56.9	Low	64.4	Low	12 Å²	12	75.1 Å²	75.1	7%	0.073	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-15.6	100.4	-158.5	-177.3	0	0	0	0	113.4	K20 I189 Q190 G191 C193 C218	K20-V22 PolarHBondContact O-N 3.48Å; V22-I189 HydrophobicContact CG1-CG2 3.36Å; V22-Q190 WeakPolarHBondContact O-CA 3.31Å; V22-G191 PolarHBondContact O-N 3.42Å; V22-G191 VanDerWaalsContact O-N 3.16Å; V22-C193 HydrophobicContact CG2-CB 4.11Å; V22-C218 HydrophobicContact CG2-CB 3.72Å
23	G	65.8	Low	67.2	Low	27 Å²	27	71.9 Å²	71.9	28%	0.278	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	79.2	12.2	-177.9	0	0	0	0	0	116.7	K20 I21 Q190	K20-G23 PolarHBondContact O-N 3.08Å; I21-G23 CarbonylContact O-C 3.59Å; I21-G23 PolarHBondContact O-N 3.32Å; G23-Q190 PolarHBondContact O-NE2 2.86Å
24	G	77.3	Confident	70.1	Confident	18 Å²	18	63.1 Å²	63.1	19%	0.186	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-96.9	-164.8	-176.1	0	0	0	0	0	112.8	K20 I21	K20-G24 PolarHBondContact O-N 3.37Å; K20-G24 VanDerWaalsContact O-N 3.07Å; I21-G24 WeakPolarHBondContact O-CA 3.48Å; I21-G24 PolarHBondContact O-N 2.77Å
25	K	89.4	Confident	73.1	Confident	116 Å²	116	54.6 Å²	54.6	50%	0.504	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	166.5	-178.9	64.5	170.5	-173.6	166.2	0	111.6	A27 Q155 E156	K25-A27 PolarHBondContact O-N 3.43Å; K25-Q155 WeakPolarHBondContact O-CA 3.48Å; K25-Q155 PolarHBondContact O-OE1 3.16Å; K25-E156 WeakPolarHBondContact CE-OE1 3.48Å; K25-E156 HydrophobicContact CG-CG 4.1Å; K25-E156 PolarHBondContact N-O 2.69Å; K25-E156 IonicContact NZ-OE1 3.89Å; K25-E156 PolarHBondContact NZ-OE1 2.72Å; K25-E156 PolarHBondContact O-N 2.94Å
26	D	93.6	Very high	76.1	Confident	44 Å²	44	51.2 Å²	51.2	24%	0.235	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	131.1	176.1	-89.9	-6	0	0	0	106.4	K20 R153 Q155	K20-D26 HydrophobicContact CD-CB 4.13Å; K20-D26 VanDerWaalsContact CD-N 3.26Å; K20-D26 WeakPolarHBondContact CD-OD1 3.43Å; K20-D26 WeakPolarHBondContact CE-OD1 3.44Å; K20-D26 VanDerWaalsContact CE-OD2 3.29Å; K20-D26 WeakPolarHBondContact CE-OD2 3.47Å; K20-D26 IonicContact NZ-OD1 3.33Å; K20-D26 PolarHBondContact NZ-OD1 2.98Å; K20-D26 VanDerWaalsContact NZ-OD1 3.11Å; K20-D26 IonicContact NZ-OD2 3.88Å; K20-D26 PolarHBondContact NZ-OD2 2.95Å; D26-R153 IonicContact OD2-NE 3.87Å; D26-R153 PolarHBondContact OD2-NE 3.22Å; D26-Q155 VanDerWaalsContact N-OE1 3.12Å; D26-Q155 PolarHBondContact OD1-NE2 2.95Å; D26-Q155 PolarHBondContact OD1-OE1 3.23Å
27	A	95.4	Very high	79.1	Confident	3 Å²	3	46.7 Å²	46.7	3%	0.025	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-63.8	148.7	163.8	0	0	0	0	0	108.4	K25 L154 E156	K25-A27 PolarHBondContact O-N 3.43Å; A27-L154 HydrophobicContact CB-CB 4.3Å; A27-L154 HydrophobicContact CB-CD2 3.97Å; A27-L154 HydrophobicContact CB-CG 3.98Å; A27-L154 PolarHBondContact N-O 3.31Å; A27-E156 HydrophobicContact CB-CB 4.44Å; A27-E156 HydrophobicContact CB-CG 4.25Å
28	V	96.3	Very high	81.9	Confident	99 Å²	99	37.8 Å²	37.8	60%	0.6	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-61.9	134.1	167.3	174	0	0	0	0	107.2	H30 S31	V28-H30 PolarHBondContact O-N 3.38Å; V28-S31 PolarHBondContact N-OG 2.82Å; V28-S31 WeakPolarHBondContact O-CB 3.25Å; V28-S31 PolarHBondContact O-N 3.3Å; V28-S31 PolarHBondContact O-OG 2.94Å
29	P	95.9	Very high	84.9	Confident	76 Å²	76	36 Å²	36	49%	0.494	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	130	-176.3	-31.7	36.4	0	0	0	112.7	S31 D75	P29-S31 PolarHBondContact O-N 3.2Å; P29-D75 WeakPolarHBondContact CA-OD1 3.32Å; P29-D75 HydrophobicContact CB-CB 4.34Å
30	H	95.9	Very high	87.9	Confident	57 Å²	57	32.6 Å²	32.6	26%	0.264	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	12.8	-178.7	-45	-66.7	0	0	0	115.9	V28 R32 G73 E119	V28-H30 PolarHBondContact O-N 3.38Å; H30-R32 PolarHBondContact O-N 2.91Å; H30-G73 PolarHBondContact CE1-O 3.4Å; H30-G73 VanDerWaalsContact CE1-O 3.31Å; H30-G73 PolarHBondContact ND1-O 2.98Å; H30-E119 HydrophobicContact CB-CB 4.09Å; H30-E119 HydrophobicContact CB-CG 3.77Å; H30-E119 VanDerWaalsContact CG-CG 3.48Å
31	S	97.4	Very high	90.2	Very high	38 Å²	38	39.2 Å²	39.2	27%	0.266	21%	0.213	S	C	.	.	S	Bend	trans	-72	-5.6	176.8	67.2	0	0	0	0	114.1	V28 P29 P33	V28-S31 PolarHBondContact N-OG 2.82Å; V28-S31 WeakPolarHBondContact O-CB 3.25Å; V28-S31 PolarHBondContact O-N 3.3Å; V28-S31 PolarHBondContact O-OG 2.94Å; P29-S31 PolarHBondContact O-N 3.2Å; S31-P33 VanDerWaalsContact C-CD 3.41Å; S31-P33 WeakPolarHBondContact O-CD 3.29Å
32	R	98.3	Very high	92	Very high	47 Å²	47	41.9 Å²	41.9	18%	0.177	24%	0.24	C	C	.	.			trans	-124.3	65	176	-54.1	-68.3	175	-96.5	4.6	109.2	H30 Y34 M35 L154 E156	H30-R32 PolarHBondContact O-N 2.91Å; R32-Y34 HydrophobicContact CB-CE2 4.29Å; R32-Y34 WeakPolarHBondContact CD-OH 3.26Å; R32-Y34 PolarHBondContact O-N 2.84Å; R32-M35 HydrophobicContact CB-CG 3.63Å; R32-M35 WeakPolarHBondContact O-CB 3.48Å; R32-M35 WeakPolarHBondContact O-CG 3.3Å; R32-M35 PolarHBondContact O-N 3.34Å; R32-L154 HydrophobicContact CB-CD2 3.74Å; R32-L154 HydrophobicContact CG-CD2 3.96Å; R32-E156 IonicContact CZ-OE2 3.54Å; R32-E156 IonicContact NE-OE2 3.21Å; R32-E156 PolarHBondContact NE-OE2 2.99Å; R32-E156 VanDerWaalsContact NE-OE2 3.12Å; R32-E156 IonicContact NH1-OE2 3.87Å; R32-E156 IonicContact NH2-OE1 3.48Å; R32-E156 IonicContact NH2-OE2 2.77Å; R32-E156 PolarHBondContact NH2-OE2 2.85Å
33	P	98.6	Very high	93.8	Very high	19 Å²	19	50.5 Å²	50.5	12%	0.123	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-8	-167.7	30	-38.5	0	0	0	114.4	S31 E119 V120 Q121	S31-P33 VanDerWaalsContact C-CD 3.41Å; S31-P33 WeakPolarHBondContact O-CD 3.29Å; P33-E119 VanDerWaalsContact CA-O 3.24Å; P33-E119 WeakPolarHBondContact CA-O 3.4Å; P33-E119 VanDerWaalsContact CB-C 3.5Å; P33-E119 VanDerWaalsContact CB-O 3.31Å; P33-E119 WeakPolarHBondContact CB-O 3.44Å; P33-V120 WeakPolarHBondContact O-CA 3.47Å; P33-Q121 HydrophobicContact CB-CB 3.94Å; P33-Q121 HydrophobicContact CB-CG 3.98Å; P33-Q121 HydrophobicContact CG-CB 3.82Å; P33-Q121 HydrophobicContact CG-CG 4Å; P33-Q121 PolarHBondContact O-N 3.26Å
34	Y	98.8	Very high	95.3	Very high	28 Å²	28	50 Å²	50	11%	0.11	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-9	174.7	48.3	-102.1	0	0	0	114.1	R32 A36 V49 L50 Q121 I123 P200 V202	R32-Y34 HydrophobicContact CB-CE2 4.29Å; R32-Y34 WeakPolarHBondContact CD-OH 3.26Å; R32-Y34 PolarHBondContact O-N 2.84Å; Y34-A36 PolarHBondContact O-N 3.29Å; Y34-V49 HydrophobicContact CD2-CB 4.42Å; Y34-V49 HydrophobicContact CD2-CG1 3.77Å; Y34-V49 HydrophobicContact CE2-CG1 4.39Å; Y34-V49 CarbonylContact O-C 3.57Å; Y34-V49 VanDerWaalsContact O-CA 3.23Å; Y34-V49 WeakPolarHBondContact O-CA 3.35Å; Y34-L50 PolarHBondContact O-N 3Å; Y34-Q121 WeakPolarHBondContact CA-O 3.28Å; Y34-Q121 WeakPolarHBondContact CB-O 3.45Å; Y34-I123 HydrophobicContact CD1-CB 3.93Å; Y34-I123 HydrophobicContact CD1-CD1 3.97Å; Y34-I123 HydrophobicContact CD1-CG1 4.22Å; Y34-I123 HydrophobicContact CD2-CB 4.35Å; Y34-I123 HydrophobicContact CD2-CD1 4Å; Y34-I123 HydrophobicContact CE1-CD1 3.89Å; Y34-I123 HydrophobicContact CE2-CD1 3.92Å; Y34-I123 HydrophobicContact CG-CB 3.73Å; Y34-I123 HydrophobicContact CG-CD1 4.02Å; Y34-I123 HydrophobicContact CG-CG1 4.33Å; Y34-I123 HydrophobicContact CG-CG2 4.24Å; Y34-P200 HydrophobicContact CE2-CG 4.06Å; Y34-V202 HydrophobicContact CE2-CG2 4.11Å
35	M	98.8	Very high	96.2	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.015	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	136	-176.8	-72.9	-62.7	-61.2	0	0	111.5	R32 V49 A139 W141 L154 P200	R32-M35 HydrophobicContact CB-CG 3.63Å; R32-M35 WeakPolarHBondContact O-CB 3.48Å; R32-M35 WeakPolarHBondContact O-CG 3.3Å; R32-M35 PolarHBondContact O-N 3.34Å; M35-V49 HydrophobicContact SD-CG1 4.48Å; M35-A139 HydrophobicContact CE-CB 4.46Å; M35-A139 WeakPolarHBondContact CE-O 3.22Å; M35-A139 HydrophobicContact SD-CB 4.18Å; M35-W141 HydrophobicContact CB-CH2 3.74Å; M35-W141 HydrophobicContact CB-CZ3 4.11Å; M35-W141 HydrophobicContact CE-CE3 4.38Å; M35-W141 HydrophobicContact CE-CH2 4.45Å; M35-W141 HydrophobicContact CE-CZ3 3.81Å; M35-L154 HydrophobicContact CE-CD1 4Å; M35-L154 HydrophobicContact CG-CD1 4.26Å; M35-L154 HydrophobicContact CG-CD2 4.01Å; M35-P200 WeakPolarHBondContact SD-CD 3.42Å; M35-P200 HydrophobicContact SD-CG 3.6Å
36	A	98.8	Very high	96.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.5	175.4	0	0	0	0	0	109.9	Y34 G47 G48 V56 V70 L72	Y34-A36 PolarHBondContact O-N 3.29Å; A36-G47 CarbonylContact O-C 3.55Å; A36-G47 WeakPolarHBondContact O-CA 3.43Å; A36-G48 PolarHBondContact N-O 3.09Å; A36-G48 PolarHBondContact O-N 3.13Å; A36-V56 HydrophobicContact CB-CG1 3.86Å; A36-V56 HydrophobicContact CB-CG2 4.27Å; A36-V70 HydrophobicContact CB-CG1 3.93Å; A36-L72 HydrophobicContact CB-CD2 3.76Å
37	S	98.6	Very high	96.8	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	113.5	171.9	178.6	0	0	0	0	108.4	Q39 H44 V71	S37-Q39 PolarHBondContact OG-NE2 2.87Å; S37-Q39 VanDerWaalsContact OG-NE2 3.16Å; S37-H44 PolarHBondContact OG-ND1 2.75Å; S37-V71 PolarHBondContact N-O 3.21Å; S37-V71 PolarHBondContact O-N 3.01Å
38	L	98.4	Very high	97	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	129.5	171.6	-77.2	57.6	0	0	0	107.7	I45 C46 T58 C62 Y68 T69 V70 L108	L38-I45 HydrophobicContact CB-CD1 4.35Å; L38-I45 HydrophobicContact CB-CG1 4.03Å; L38-I45 VanDerWaalsContact O-CG1 3.22Å; L38-I45 WeakPolarHBondContact O-CG1 3.39Å; L38-I45 PolarHBondContact O-N 2.95Å; L38-C46 HydrophobicContact CB-CB 4.23Å; L38-C46 WeakPolarHBondContact CB-O 3.27Å; L38-C46 HydrophobicContact CD2-CB 4.09Å; L38-C46 PolarHBondContact N-O 2.93Å; L38-T58 HydrophobicContact CD2-CG2 4.11Å; L38-C62 HydrophobicContact CD2-CB 4.32Å; L38-Y68 HydrophobicContact CD2-CD2 4.47Å; L38-Y68 HydrophobicContact CD2-CE2 4.19Å; L38-Y68 HydrophobicContact CG-CD2 4.35Å; L38-Y68 HydrophobicContact CG-CE2 4.44Å; L38-T69 WeakPolarHBondContact CA-O 3.24Å; L38-V70 HydrophobicContact CD1-CG2 4.3Å; L38-V70 HydrophobicContact CG-CG2 4.43Å; L38-L108 HydrophobicContact CD1-CD1 4.31Å; L38-L108 HydrophobicContact CD2-CD1 3.87Å; L38-L108 HydrophobicContact CG-CD1 4.1Å
39	Q	97.4	Very high	97.1	Very high	18 Å²	18	39.3 Å²	39.3	8%	0.084	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	138.9	-173.5	-57.6	-170.1	3.3	0	0	113	S37 G42 R43 Y68 T69 V71	S37-Q39 PolarHBondContact OG-NE2 2.87Å; S37-Q39 VanDerWaalsContact OG-NE2 3.16Å; Q39-G42 PolarHBondContact OE1-O 3.45Å; Q39-R43 CarbonylContact C-O 3.4Å; Q39-R43 WeakPolarHBondContact CA-O 3.13Å; Q39-R43 WeakPolarHBondContact CB-O 3.5Å; Q39-Y68 WeakPolarHBondContact O-CA 3.28Å; Q39-Y68 VanDerWaalsContact O-CB 3.29Å; Q39-Y68 WeakPolarHBondContact O-CB 3.49Å; Q39-T69 PolarHBondContact N-O 2.9Å; Q39-T69 PolarHBondContact O-N 2.85Å; Q39-V71 HydrophobicContact CG-CG2 4.17Å
40	I	95.2	Very high	97.2	Very high	29 Å²	29	35.7 Å²	35.7	15%	0.149	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.8	167.4	-68.1	166	0	0	0	107.8	G42 R43 I45 L64 I66	I40-G42 PolarHBondContact O-N 2.92Å; I40-G42 VanDerWaalsContact O-N 3.1Å; I40-R43 PolarHBondContact N-O 3.27Å; I40-R43 WeakPolarHBondContact O-CB 3.34Å; I40-R43 PolarHBondContact O-N 2.73Å; I40-I45 HydrophobicContact CD1-CD1 3.78Å; I40-I45 HydrophobicContact CD1-CG2 4.18Å; I40-I45 HydrophobicContact CG1-CD1 4.01Å; I40-I45 HydrophobicContact CG1-CG2 4.49Å; I40-L64 HydrophobicContact CD1-CB 4.39Å; I40-L64 HydrophobicContact CD1-CD1 3.43Å; I40-L64 VanDerWaalsContact CD1-CD1 3.43Å; I40-I66 HydrophobicContact CD1-CD1 3.38Å; I40-I66 HydrophobicContact CD1-CG1 3.9Å; I40-I66 HydrophobicContact CG1-CD1 4.15Å; I40-I66 HydrophobicContact CG1-CG1 4.48Å; I40-I66 HydrophobicContact CG2-CD1 4.19Å
41	Q	92.5	Very high	97.3	Very high	190 Å²	190	34 Å²	34	89%	0.888	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	37	179.8	-60.9	176	-19	0	0	112.6	R43	Q41-R43 VanDerWaalsContact C-N 3.29Å; Q41-R43 PolarHBondContact O-N 3.5Å
42	G	92.8	Very high	97.4	Very high	56 Å²	56	34.8 Å²	34.8	58%	0.577	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.4	3.4	-178.4	0	0	0	0	0	115.4	Q39 I40	Q39-G42 PolarHBondContact OE1-O 3.45Å; I40-G42 PolarHBondContact O-N 2.92Å; I40-G42 VanDerWaalsContact O-N 3.1Å
43	R	94.6	Very high	97.4	Very high	193 Å²	193	35.1 Å²	35.1	73%	0.728	17%	0.172	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.9	178.1	-60	-178.1	70.4	174.2	1.7	110.5	Q39 I40 Q41	Q39-R43 CarbonylContact C-O 3.4Å; Q39-R43 WeakPolarHBondContact CA-O 3.13Å; Q39-R43 WeakPolarHBondContact CB-O 3.5Å; I40-R43 PolarHBondContact N-O 3.27Å; I40-R43 WeakPolarHBondContact O-CB 3.34Å; I40-R43 PolarHBondContact O-N 2.73Å; Q41-R43 VanDerWaalsContact C-N 3.29Å; Q41-R43 PolarHBondContact O-N 3.5Å
44	H	96.4	Very high	97.4	Very high	17 Å²	17	34.8 Å²	34.8	8%	0.079	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	136.4	175.4	-178.4	68.4	0	0	0	111.8	S37 C46 L77 W141 L150 G195	S37-H44 PolarHBondContact OG-ND1 2.75Å; H44-C46 PolarHBondContact CE1-O 3.44Å; H44-C46 PolarHBondContact ND1-O 2.87Å; H44-L77 HydrophobicContact CB-CD1 3.59Å; H44-L77 HydrophobicContact CB-CD2 3.95Å; H44-L77 HydrophobicContact CB-CG 4.41Å; H44-W141 AromaticContact CE1-CE3 4Å; H44-L150 HydrophobicContact CB-CD1 4.31Å; H44-G195 PolarHBondContact NE2-O 3.47Å; H44-G195 VanDerWaalsContact NE2-O 3.12Å
45	I	96.2	Very high	97.4	Very high	43 Å²	43	33.5 Å²	33.5	22%	0.221	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	-37.2	177.8	54.5	157.8	0	0	0	113.2	L38 I40 L64	L38-I45 HydrophobicContact CB-CD1 4.35Å; L38-I45 HydrophobicContact CB-CG1 4.03Å; L38-I45 VanDerWaalsContact O-CG1 3.22Å; L38-I45 WeakPolarHBondContact O-CG1 3.39Å; L38-I45 PolarHBondContact O-N 2.95Å; I40-I45 HydrophobicContact CD1-CD1 3.78Å; I40-I45 HydrophobicContact CD1-CG2 4.18Å; I40-I45 HydrophobicContact CG1-CD1 4.01Å; I40-I45 HydrophobicContact CG1-CG2 4.49Å; I45-L64 HydrophobicContact CD1-CD1 3.78Å
46	C	97.9	Very high	97.4	Very high	8 Å²	8	33.3 Å²	33.3	5%	0.054	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	159.1	-176	-82.7	0	0	0	0	110.1	L38 H44 C62 G195 S197	L38-C46 HydrophobicContact CB-CB 4.23Å; L38-C46 WeakPolarHBondContact CB-O 3.27Å; L38-C46 HydrophobicContact CD2-CB 4.09Å; L38-C46 PolarHBondContact N-O 2.93Å; H44-C46 PolarHBondContact CE1-O 3.44Å; H44-C46 PolarHBondContact ND1-O 2.87Å; C46-C62 HydrophobicContact CB-CB 3.7Å; C46-C62 WeakPolarHBondContact CB-SG 3.13Å; C46-C62 WeakPolarHBondContact SG-CB 3.38Å; C46-C62 CovalentContact SG-SG 2.04Å; C46-C62 PolarHBondContact SG-SG 2.91Å; C46-G195 WeakPolarHBondContact CA-O 3.37Å; C46-S197 CarbonylContact C-O 3.54Å; C46-S197 WeakPolarHBondContact CB-O 3.42Å
47	G	98.4	Very high	97.4	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	178.6	167.8	0	0	0	0	0	113.9	A36 T58 G195 S197 G198	A36-G47 CarbonylContact O-C 3.55Å; A36-G47 WeakPolarHBondContact O-CA 3.43Å; G47-T58 PolarHBondContact O-OG1 2.8Å; G47-G195 PolarHBondContact N-O 2.93Å; G47-S197 WeakPolarHBondContact CA-O 3.33Å; G47-S197 PolarHBondContact N-O 3.08Å; G47-G198 CarbonylContact O-C 3.55Å
48	G	98.7	Very high	97.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	177.7	174.9	0	0	0	0	0	110.8	A36 L57 G198	A36-G48 PolarHBondContact N-O 3.09Å; A36-G48 PolarHBondContact O-N 3.13Å; G48-L57 CarbonylContact C-O 3.57Å; G48-L57 WeakPolarHBondContact CA-O 3.36Å; G48-G198 WeakPolarHBondContact CA-O 3.23Å
49	V	98.9	Very high	97.4	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142.7	170.2	-64.1	0	0	0	0	113.6	Y34 M35 L51 V56 L57 I123 P200	Y34-V49 HydrophobicContact CD2-CB 4.42Å; Y34-V49 HydrophobicContact CD2-CG1 3.77Å; Y34-V49 HydrophobicContact CE2-CG1 4.39Å; Y34-V49 CarbonylContact O-C 3.57Å; Y34-V49 VanDerWaalsContact O-CA 3.23Å; Y34-V49 WeakPolarHBondContact O-CA 3.35Å; M35-V49 HydrophobicContact SD-CG1 4.48Å; V49-L51 HydrophobicContact CG2-CD2 4.08Å; V49-L51 PolarHBondContact O-N 2.85Å; V49-V56 CarbonylContact O-C 3.58Å; V49-V56 VanDerWaalsContact O-CA 3.28Å; V49-V56 WeakPolarHBondContact O-CA 3.4Å; V49-L57 HydrophobicContact CG2-CB 3.88Å; V49-L57 HydrophobicContact CG2-CD2 4.3Å; V49-L57 PolarHBondContact N-O 3Å; V49-L57 PolarHBondContact O-N 3.41Å; V49-I123 HydrophobicContact CB-CG2 3.68Å; V49-I123 HydrophobicContact CG1-CG2 4.33Å; V49-I123 HydrophobicContact CG2-CG2 3.71Å; V49-P200 HydrophobicContact CG1-CB 3.48Å; V49-P200 VanDerWaalsContact CG1-CB 3.48Å; V49-P200 HydrophobicContact CG1-CG 3.44Å; V49-P200 VanDerWaalsContact CG1-CG 3.44Å
50	L	98.9	Very high	97.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	115.2	176.1	-167.1	68.8	0	0	0	110.6	Y34 R52 V56 L72 L110 A114 L116 V120 L122 I123	Y34-L50 PolarHBondContact O-N 3Å; L50-R52 WeakPolarHBondContact CD1-O 3.25Å; L50-R52 WeakPolarHBondContact CG-O 3.5Å; L50-V56 HydrophobicContact CD1-CG2 3.78Å; L50-L72 HydrophobicContact CB-CD2 4.22Å; L50-L72 HydrophobicContact CD1-CD1 3.96Å; L50-L72 HydrophobicContact CD1-CD2 4.23Å; L50-L72 HydrophobicContact CD2-CD1 4.01Å; L50-L72 HydrophobicContact CD2-CD2 4.46Å; L50-L110 HydrophobicContact CD1-CD1 4.25Å; L50-A114 HydrophobicContact CD2-CB 4.2Å; L50-L116 HydrophobicContact CD2-CD2 4.2Å; L50-V120 HydrophobicContact CD2-CG1 3.81Å; L50-L122 HydrophobicContact CD2-CD2 3.68Å; L50-L122 HydrophobicContact CG-CD2 3.66Å; L50-L122 WeakPolarHBondContact O-CA 3.08Å; L50-I123 PolarHBondContact O-N 2.94Å
51	L	98.6	Very high	97.6	Very high	21 Å²	21	34.2 Å²	34.2	11%	0.11	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-34.3	178.4	-64.9	-172.1	0	0	0	112.9	V49 F55 L57 L107 I123 L125 I237	V49-L51 HydrophobicContact CG2-CD2 4.08Å; V49-L51 PolarHBondContact O-N 2.85Å; L51-F55 PolarHBondContact N-O 2.78Å; L51-L57 HydrophobicContact CD1-CB 3.69Å; L51-L57 HydrophobicContact CD1-CD1 4.4Å; L51-L57 HydrophobicContact CD1-CD2 4.23Å; L51-L57 HydrophobicContact CD1-CG 4.34Å; L51-L57 HydrophobicContact CD2-CB 4.29Å; L51-L57 HydrophobicContact CD2-CD2 4.46Å; L51-L57 HydrophobicContact CG-CB 3.8Å; L51-L107 HydrophobicContact CD1-CD2 3.85Å; L51-I123 HydrophobicContact CD2-CG2 3.98Å; L51-L125 HydrophobicContact CD1-CD2 3.83Å; L51-L125 HydrophobicContact CD2-CD2 3.51Å; L51-L125 HydrophobicContact CD2-CG 4.29Å; L51-L125 HydrophobicContact CG-CD2 4.33Å; L51-I237 HydrophobicContact CD1-CG2 4.07Å
52	R	98.6	Very high	97.7	Very high	56 Å²	56	25.2 Å²	25.2	21%	0.211	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	161.1	176.3	-167.1	168.4	69.2	-173.1	5.2	107.7	L50 D54 F55 L241 N244	L50-R52 WeakPolarHBondContact CD1-O 3.25Å; L50-R52 WeakPolarHBondContact CG-O 3.5Å; R52-D54 WeakPolarHBondContact CG-OD1 3.39Å; R52-D54 IonicContact CZ-OD1 2.62Å; R52-D54 IonicContact NE-OD1 2.59Å; R52-D54 PolarHBondContact NE-OD1 2.86Å; R52-D54 IonicContact NH2-OD1 2.99Å; R52-D54 IonicContact NH2-OD2 3.45Å; R52-D54 PolarHBondContact O-N 2.79Å; R52-F55 HydrophobicContact CB-CB 4.15Å; R52-F55 PolarHBondContact N-O 3.33Å; R52-F55 PolarHBondContact O-N 2.92Å; R52-F55 VanDerWaalsContact O-O 3.13Å; R52-L241 PolarHBondContact NH1-O 3.31Å; R52-L241 PolarHBondContact NH2-O 3.04Å; R52-N244 PolarHBondContact NH2-OXT 3.42Å
53	E	98.8	Very high	97.8	Very high	53 Å²	53	24.7 Å²	24.7	25%	0.248	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-25	-174.9	-58.6	91.8	165	0	0	112.9	R113 A114 L116	E53-R113 HydrophobicContact CB-CB 3.89Å; E53-R113 HydrophobicContact CB-CG 4.14Å; E53-R113 CarbonylContact O-C 3.45Å; E53-R113 WeakPolarHBondContact O-CA 3.46Å; E53-R113 IonicContact OE2-NH1 3.58Å; E53-R113 PolarHBondContact OE2-NH1 2.64Å; E53-A114 WeakPolarHBondContact O-CB 3.3Å; E53-A114 PolarHBondContact O-N 3.03Å; E53-L116 HydrophobicContact CG-CD1 3.98Å; E53-L116 HydrophobicContact CG-CD2 4.04Å; E53-L116 HydrophobicContact CG-CG 3.88Å
54	D	98.7	Very high	97.1	Very high	13 Å²	13	19.7 Å²	19.7	7%	0.07	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	8.3	179.1	63.4	-22.4	0	0	0	114.3	R52 K109 L110 R113	R52-D54 WeakPolarHBondContact CG-OD1 3.39Å; R52-D54 IonicContact CZ-OD1 2.62Å; R52-D54 IonicContact NE-OD1 2.59Å; R52-D54 PolarHBondContact NE-OD1 2.86Å; R52-D54 IonicContact NH2-OD1 2.99Å; R52-D54 IonicContact NH2-OD2 3.45Å; R52-D54 PolarHBondContact O-N 2.79Å; D54-K109 WeakPolarHBondContact O-CA 3.4Å; D54-L110 PolarHBondContact O-N 3.35Å; D54-R113 HydrophobicContact CB-CG 4.12Å
55	F	98.8	Very high	96.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	128.6	-179.3	-87.2	-93.9	0	0	0	114.4	L51 R52 F93 L107 L108 K109 V240 L241 N244	L51-F55 PolarHBondContact N-O 2.78Å; R52-F55 HydrophobicContact CB-CB 4.15Å; R52-F55 PolarHBondContact N-O 3.33Å; R52-F55 PolarHBondContact O-N 2.92Å; R52-F55 VanDerWaalsContact O-O 3.13Å; F55-F93 HydrophobicContact CE1-CD2 4.18Å; F55-F93 HydrophobicContact CE1-CE2 4.05Å; F55-F93 HydrophobicContact CZ-CE2 4.26Å; F55-L107 HydrophobicContact CD1-CB 4.08Å; F55-L107 HydrophobicContact CD1-CD2 4.4Å; F55-L107 HydrophobicContact CE1-CB 4.3Å; F55-L108 VanDerWaalsContact CA-O 3.3Å; F55-L108 WeakPolarHBondContact CA-O 3.38Å; F55-K109 HydrophobicContact CE1-CB 3.92Å; F55-K109 HydrophobicContact CE2-CB 4.14Å; F55-K109 HydrophobicContact CE2-CD 4.03Å; F55-K109 HydrophobicContact CE2-CG 3.98Å; F55-K109 HydrophobicContact CZ-CB 3.71Å; F55-K109 HydrophobicContact CZ-CD 3.92Å; F55-K109 HydrophobicContact CZ-CG 3.97Å; F55-V240 HydrophobicContact CE1-CG1 4.1Å; F55-L241 HydrophobicContact CB-CD2 3.54Å; F55-L241 HydrophobicContact CD1-CD2 3.62Å; F55-L241 HydrophobicContact CD2-CD2 3.78Å; F55-L241 HydrophobicContact CE1-CD2 4.22Å; F55-L241 HydrophobicContact CE2-CD2 4.38Å; F55-L241 HydrophobicContact CG-CD2 3.35Å; F55-N244 HydrophobicContact CE2-CB 4.31Å; F55-N244 HydrophobicContact CZ-CB 3.72Å
56	V	98.8	Very high	96.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.3	173.1	170.4	0	0	0	0	110.6	A36 V49 L50 V70 L107 L108 L110	A36-V56 HydrophobicContact CB-CG1 3.86Å; A36-V56 HydrophobicContact CB-CG2 4.27Å; V49-V56 CarbonylContact O-C 3.58Å; V49-V56 VanDerWaalsContact O-CA 3.28Å; V49-V56 WeakPolarHBondContact O-CA 3.4Å; L50-V56 HydrophobicContact CD1-CG2 3.78Å; V56-V70 HydrophobicContact CG2-CG1 4.03Å; V56-L107 CarbonylContact O-C 3.4Å; V56-L107 WeakPolarHBondContact O-CA 3.27Å; V56-L108 HydrophobicContact CB-CB 4.26Å; V56-L108 HydrophobicContact CB-CD1 4.49Å; V56-L108 HydrophobicContact CG1-CD1 4.34Å; V56-L108 PolarHBondContact N-O 2.85Å; V56-L108 PolarHBondContact O-N 2.77Å; V56-L110 HydrophobicContact CG2-CD1 4.25Å; V56-L110 HydrophobicContact CG2-CD2 4.28Å
57	L	98.9	Very high	96	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	134.5	169.2	-175	67.5	0	0	0	109.9	G48 V49 L51 I105 L107 L125 V210 V230 I237	G48-L57 CarbonylContact C-O 3.57Å; G48-L57 WeakPolarHBondContact CA-O 3.36Å; V49-L57 HydrophobicContact CG2-CB 3.88Å; V49-L57 HydrophobicContact CG2-CD2 4.3Å; V49-L57 PolarHBondContact N-O 3Å; V49-L57 PolarHBondContact O-N 3.41Å; L51-L57 HydrophobicContact CD1-CB 3.69Å; L51-L57 HydrophobicContact CD1-CD1 4.4Å; L51-L57 HydrophobicContact CD1-CD2 4.23Å; L51-L57 HydrophobicContact CD1-CG 4.34Å; L51-L57 HydrophobicContact CD2-CB 4.29Å; L51-L57 HydrophobicContact CD2-CD2 4.46Å; L51-L57 HydrophobicContact CG-CB 3.8Å; L57-I105 HydrophobicContact CD1-CD1 3.87Å; L57-I105 HydrophobicContact CD1-CG1 3.62Å; L57-L107 HydrophobicContact CB-CD2 4.32Å; L57-L107 HydrophobicContact CD1-CD2 3.88Å; L57-L107 HydrophobicContact CD1-CG 4.35Å; L57-L125 HydrophobicContact CD2-CD2 4.21Å; L57-V210 HydrophobicContact CD2-CG2 3.72Å; L57-V210 HydrophobicContact CG-CG2 3.94Å; L57-V230 HydrophobicContact CD2-CG2 4.16Å; L57-I237 HydrophobicContact CD1-CD1 4.31Å
58	T	98.8	Very high	95.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	-174.3	177.4	-171	0	0	0	0	110	L38 G47 M106 L108 G198	L38-T58 HydrophobicContact CD2-CG2 4.11Å; G47-T58 PolarHBondContact O-OG1 2.8Å; T58-M106 HydrophobicContact CG2-CB 4.09Å; T58-M106 HydrophobicContact CG2-CE 3.61Å; T58-M106 HydrophobicContact CG2-CG 4.27Å; T58-M106 PolarHBondContact N-O 2.98Å; T58-M106 PolarHBondContact O-N 2.03Å; T58-L108 HydrophobicContact CG2-CD1 3.83Å; T58-L108 HydrophobicContact CG2-CD2 4.35Å; T58-L108 HydrophobicContact CG2-CG 3.9Å; T58-G198 WeakPolarHBondContact OG1-CA 3.45Å
59	A	98.4	Very high	95.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.			trans	-85.3	145.5	174.7	0	0	0	0	0	110.2	H61 C62 M106 G198 V210	A59-H61 VanDerWaalsContact C-N 3.33Å; A59-C62 WeakPolarHBondContact O-CB 3.35Å; A59-C62 PolarHBondContact O-N 3.24Å; A59-M106 WeakPolarHBondContact O-CE 3.21Å; A59-G198 VanDerWaalsContact N-CA 3.26Å; A59-V210 HydrophobicContact CB-CG1 4.09Å
60	A	98.3	Very high	95.7	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.033	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-68.9	-33.2	179.8	0	0	0	0	0	112.2	C62 D63 P94 Y98 D104 M106	A60-C62 PolarHBondContact O-N 2.8Å; A60-C62 VanDerWaalsContact O-N 3.11Å; A60-D63 WeakPolarHBondContact O-CB 3.33Å; A60-D63 PolarHBondContact O-N 2.83Å; A60-P94 HydrophobicContact CB-CB 4.12Å; A60-Y98 HydrophobicContact CB-CD1 3.91Å; A60-Y98 HydrophobicContact CB-CD2 3.56Å; A60-Y98 HydrophobicContact CB-CE1 4.21Å; A60-Y98 HydrophobicContact CB-CE2 3.86Å; A60-Y98 HydrophobicContact CB-CG 3.57Å; A60-D104 WeakPolarHBondContact CA-OD1 3.28Å; A60-D104 PolarHBondContact N-OD1 2.78Å; A60-M106 HydrophobicContact CB-CB 4.19Å
61	H	96.6	Very high	95.7	Very high	61 Å²	61	37.5 Å²	37.5	28%	0.282	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-65.4	-12.8	176.9	78.1	-103.1	0	0	0	114	A59 D63 Y98 D104 S197 S212	A59-H61 VanDerWaalsContact C-N 3.33Å; H61-D63 PolarHBondContact O-N 3.42Å; H61-Y98 WeakPolarHBondContact CA-OH 3.18Å; H61-Y98 HydrophobicContact CB-CE2 4.49Å; H61-Y98 WeakPolarHBondContact CB-OH 3.47Å; H61-D104 IonicContact CE1-OD2 2.63Å; H61-D104 PolarHBondContact CE1-OD2 3.04Å; H61-D104 IonicContact CG-OD1 2.73Å; H61-D104 IonicContact CG-OD2 3.11Å; H61-D104 PolarHBondContact N-OD1 3.16Å; H61-D104 VanDerWaalsContact ND1-CG 3.33Å; H61-D104 IonicContact ND1-OD1 3.43Å; H61-D104 PolarHBondContact ND1-OD1 3.2Å; H61-D104 IonicContact ND1-OD2 3.4Å; H61-D104 PolarHBondContact ND1-OD2 2.91Å; H61-S197 VanDerWaalsContact CE1-CB 3.47Å; H61-S197 WeakPolarHBondContact CE1-CB 3.27Å; H61-S197 PolarHBondContact CE1-OG 3.05Å; H61-S197 VanDerWaalsContact CE1-OG 3.28Å; H61-S197 WeakPolarHBondContact NE2-CB 3.5Å; H61-S197 PolarHBondContact NE2-OG 2.81Å; H61-S212 PolarHBondContact CE1-O 2.72Å; H61-S212 VanDerWaalsContact CE1-O 3.28Å
62	C	96.5	Very high	95.7	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.014	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-77.8	-6.9	173.4	-66.1	0	0	0	0	113.1	L38 C46 A59 A60 L64	L38-C62 HydrophobicContact CD2-CB 4.32Å; C46-C62 HydrophobicContact CB-CB 3.7Å; C46-C62 WeakPolarHBondContact CB-SG 3.13Å; C46-C62 WeakPolarHBondContact SG-CB 3.38Å; C46-C62 CovalentContact SG-SG 2.04Å; C46-C62 PolarHBondContact SG-SG 2.91Å; A59-C62 WeakPolarHBondContact O-CB 3.35Å; A59-C62 PolarHBondContact O-N 3.24Å; A60-C62 PolarHBondContact O-N 2.8Å; A60-C62 VanDerWaalsContact O-N 3.11Å; C62-L64 PolarHBondContact O-N 2.84Å
63	D	93.6	Very high	95.7	Very high	45 Å²	45	34 Å²	34	24%	0.241	18%	0.183	C	C	.	.			trans	-74.2	107.9	173.8	-161.6	-8.9	0	0	0	110.6	A60 H61 M65 S92 M106	A60-D63 WeakPolarHBondContact O-CB 3.33Å; A60-D63 PolarHBondContact O-N 2.83Å; H61-D63 PolarHBondContact O-N 3.42Å; D63-M65 PolarHBondContact OD1-N 2.91Å; D63-S92 WeakPolarHBondContact OD2-CB 3.23Å; D63-M106 HydrophobicContact CB-CE 3.76Å; D63-M106 HydrophobicContact CB-SD 3.85Å
64	L	81.4	Confident	95.6	Very high	88 Å²	88	31.9 Å²	31.9	46%	0.461	17%	0.174	S	C	.	.			trans	-97.3	8.3	179.7	-62	177	0	0	0	112.8	I40 I45 C62 I66	I40-L64 HydrophobicContact CD1-CB 4.39Å; I40-L64 HydrophobicContact CD1-CD1 3.43Å; I40-L64 VanDerWaalsContact CD1-CD1 3.43Å; I45-L64 HydrophobicContact CD1-CD1 3.78Å; C62-L64 PolarHBondContact O-N 2.84Å; L64-I66 HydrophobicContact CB-CD1 4.27Å; L64-I66 HydrophobicContact CB-CG1 3.88Å; L64-I66 PolarHBondContact O-N 3.44Å
65	M	85.8	Confident	95.5	Very high	176 Å²	176	31.8 Å²	31.8	87%	0.867	17%	0.174	S	C	*	.	S	Bend	trans	53.4	26.5	-179.6	-61.8	-174.5	-77.4	0	0	114.3	D63	D63-M65 PolarHBondContact OD1-N 2.91Å
66	I	90.2	Very high	95.4	Very high	85 Å²	85	32.2 Å²	32.2	44%	0.436	18%	0.177	S	C	.	.	S	Bend	trans	-129.7	157.7	175.2	54.4	176.6	0	0	0	109.3	I40 L64 Y68	I40-I66 HydrophobicContact CD1-CD1 3.38Å; I40-I66 HydrophobicContact CD1-CG1 3.9Å; I40-I66 HydrophobicContact CG1-CD1 4.15Å; I40-I66 HydrophobicContact CG1-CG1 4.48Å; I40-I66 HydrophobicContact CG2-CD1 4.19Å; L64-I66 HydrophobicContact CB-CD1 4.27Å; L64-I66 HydrophobicContact CB-CG1 3.88Å; L64-I66 PolarHBondContact O-N 3.44Å; I66-Y68 WeakPolarHBondContact O-CD1 3.33Å; I66-Y68 PolarHBondContact O-N 2.82Å
67	P	91.1	Very high	95.2	Very high	128 Å²	128	33.7 Å²	33.7	83%	0.831	18%	0.184	S	C	*	.			trans	-61.9	123.5	178.5	-23.5	34.5	0	0	0	111.6
68	Y	92.9	Very high	94.9	Very high	10 Å²	10	41.3 Å²	41.3	4%	0.039	22%	0.22	C	C	.	.			trans	-126.8	161.3	170.6	52.9	-90.7	0	0	0	111.4	L38 Q39 I66 V89 S92 L108	L38-Y68 HydrophobicContact CD2-CD2 4.47Å; L38-Y68 HydrophobicContact CD2-CE2 4.19Å; L38-Y68 HydrophobicContact CG-CD2 4.35Å; L38-Y68 HydrophobicContact CG-CE2 4.44Å; Q39-Y68 WeakPolarHBondContact O-CA 3.28Å; Q39-Y68 VanDerWaalsContact O-CB 3.29Å; Q39-Y68 WeakPolarHBondContact O-CB 3.49Å; I66-Y68 WeakPolarHBondContact O-CD1 3.33Å; I66-Y68 PolarHBondContact O-N 2.82Å; Y68-V89 HydrophobicContact CD2-CB 4.26Å; Y68-V89 HydrophobicContact CD2-CG2 3.62Å; Y68-V89 HydrophobicContact CE2-CB 4.09Å; Y68-V89 HydrophobicContact CE2-CG1 4.17Å; Y68-V89 HydrophobicContact CE2-CG2 3.55Å; Y68-V89 PolarHBondContact O-N 2.78Å; Y68-S92 PolarHBondContact OH-OG 2.95Å; Y68-L108 HydrophobicContact CE2-CD1 3.75Å; Y68-L108 HydrophobicContact CE2-CD2 3.95Å; Y68-L108 HydrophobicContact CE2-CG 4.48Å; Y68-L108 WeakPolarHBondContact OH-CD2 3.31Å
69	T	97.3	Very high	94.7	Very high	39 Å²	39	43.6 Å²	43.6	24%	0.239	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	143.4	-177.2	-57.5	0	0	0	0	108.7	L38 Q39 S86 L87	L38-T69 WeakPolarHBondContact CA-O 3.24Å; Q39-T69 PolarHBondContact N-O 2.9Å; Q39-T69 PolarHBondContact O-N 2.85Å; T69-S86 WeakPolarHBondContact CG2-OG 3.5Å; T69-L87 WeakPolarHBondContact CG2-O 3.33Å
70	V	98.4	Very high	94.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.7	167.6	170.5	0	0	0	0	108.6	A36 L38 V56 L72 L87 V89 L108 L110	A36-V70 HydrophobicContact CB-CG1 3.93Å; L38-V70 HydrophobicContact CD1-CG2 4.3Å; L38-V70 HydrophobicContact CG-CG2 4.43Å; V56-V70 HydrophobicContact CG2-CG1 4.03Å; V70-L72 HydrophobicContact CG1-CD2 3.86Å; V70-L72 HydrophobicContact CG1-CG 3.97Å; V70-L87 PolarHBondContact N-O 3.21Å; V70-L87 PolarHBondContact O-N 3Å; V70-V89 HydrophobicContact CG2-CG2 3.81Å; V70-L108 HydrophobicContact CG2-CD1 4.14Å; V70-L110 HydrophobicContact CB-CD2 3.89Å; V70-L110 HydrophobicContact CG1-CD2 4.39Å; V70-L110 HydrophobicContact CG2-CD2 3.75Å
71	V	98.7	Very high	94.4	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.6	170.8	-176.8	0	0	0	0	109.3	S37 Q39 A74 K84 Q85	S37-V71 PolarHBondContact N-O 3.21Å; S37-V71 PolarHBondContact O-N 3.01Å; Q39-V71 HydrophobicContact CG-CG2 4.17Å; V71-A74 HydrophobicContact CG1-CB 4.33Å; V71-K84 HydrophobicContact CG1-CB 4.24Å; V71-K84 HydrophobicContact CG1-CD 4.12Å; V71-K84 HydrophobicContact CG1-CG 3.95Å; V71-Q85 WeakPolarHBondContact CA-O 3.11Å
72	L	98.8	Very high	94.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	159.5	176.2	-57.2	168.3	0	0	0	110.1	A36 L50 V70 A74 K84 Q85 L87 A114 V120	A36-L72 HydrophobicContact CB-CD2 3.76Å; L50-L72 HydrophobicContact CB-CD2 4.22Å; L50-L72 HydrophobicContact CD1-CD1 3.96Å; L50-L72 HydrophobicContact CD1-CD2 4.23Å; L50-L72 HydrophobicContact CD2-CD1 4.01Å; L50-L72 HydrophobicContact CD2-CD2 4.46Å; V70-L72 HydrophobicContact CG1-CD2 3.86Å; V70-L72 HydrophobicContact CG1-CG 3.97Å; L72-A74 PolarHBondContact O-N 3.5Å; L72-K84 VanDerWaalsContact O-CA 3.28Å; L72-K84 WeakPolarHBondContact O-CA 3.36Å; L72-Q85 HydrophobicContact CB-CB 4.41Å; L72-Q85 PolarHBondContact N-O 2.96Å; L72-Q85 PolarHBondContact O-N 3.19Å; L72-L87 HydrophobicContact CD1-CD1 3.86Å; L72-A114 HydrophobicContact CD1-CB 3.49Å; L72-A114 VanDerWaalsContact CD1-CB 3.49Å; L72-V120 HydrophobicContact CB-CG1 4.08Å; L72-V120 HydrophobicContact CB-CG2 4.02Å; L72-V120 HydrophobicContact CD1-CG1 4.07Å
73	G	98.4	Very high	94.4	Very high	4 Å²	4	57 Å²	57	4%	0.041	32%	0.321	C	S	.	.	S	Bend	trans	74.3	7.3	173.7	0	0	0	0	0	115	H30 E119	H30-G73 PolarHBondContact CE1-O 3.4Å; H30-G73 VanDerWaalsContact CE1-O 3.31Å; H30-G73 PolarHBondContact ND1-O 2.98Å; G73-E119 WeakPolarHBondContact CA-O 3.4Å
74	A	97.9	Very high	94.6	Very high	8 Å²	8	57.1 Å²	57.1	7%	0.066	32%	0.319	C	S	.	.			trans	-74.3	135.7	177.4	0	0	0	0	0	111.6	V71 L72 E81 K84 W141	V71-A74 HydrophobicContact CG1-CB 4.33Å; L72-A74 PolarHBondContact O-N 3.5Å; A74-E81 VanDerWaalsContact CA-OE2 3.3Å; A74-E81 WeakPolarHBondContact CA-OE2 3.08Å; A74-K84 HydrophobicContact CB-CD 4.38Å; A74-K84 HydrophobicContact CB-CG 4.09Å; A74-W141 HydrophobicContact CB-CZ2 4.08Å; A74-W141 WeakPolarHBondContact O-CZ2 3.22Å
75	D	96.4	Very high	95.5	Very high	10 Å²	10	54.6 Å²	54.6	5%	0.053	31%	0.305	C	S	.	.	S	Bend	trans	-96.6	-51.7	157	176.7	62.3	0	0	0	109.5	P29 E81 W141 R153 L154	P29-D75 WeakPolarHBondContact CA-OD1 3.32Å; P29-D75 HydrophobicContact CB-CB 4.34Å; D75-E81 PolarHBondContact N-OE2 3.01Å; D75-W141 PolarHBondContact O-NE1 3.3Å; D75-R153 CarbonylContact O-C 3.43Å; D75-L154 PolarHBondContact O-N 2.98Å
76	T	96.5	Very high	96	Very high	10 Å²	10	50.3 Å²	50.3	6%	0.061	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-98.6	151.9	174.8	61.4	0	0	0	0	112.2	A79 E81 K84 N152 R153	T76-A79 WeakPolarHBondContact OG1-CB 3.45Å; T76-A79 PolarHBondContact OG1-N 3.27Å; T76-E81 PolarHBondContact N-OE1 3.34Å; T76-E81 PolarHBondContact OG1-OE1 3.29Å; T76-K84 WeakPolarHBondContact O-CE 3.4Å; T76-K84 PolarHBondContact O-NZ 3.19Å; T76-N152 CarbonylContact C-O 3.45Å; T76-N152 WeakPolarHBondContact CA-O 3.47Å; T76-R153 HydrophobicContact CG2-CG 3.61Å
77	L	94.3	Very high	96.4	Very high	30 Å²	30	47 Å²	47	16%	0.157	28%	0.276	C	S	.	.	S	Bend	trans	-73.9	-42.8	171.7	-67.9	-178.1	0	0	0	111.4	H44 K84 W141 N152	H44-L77 HydrophobicContact CB-CD1 3.59Å; H44-L77 HydrophobicContact CB-CD2 3.95Å; H44-L77 HydrophobicContact CB-CG 4.41Å; L77-K84 PolarHBondContact O-NZ 3.45Å; L77-W141 HydrophobicContact CD1-CB 3.78Å; L77-W141 HydrophobicContact CD1-CG 4.13Å; L77-W141 HydrophobicContact CD2-CB 4.12Å; L77-W141 HydrophobicContact CD2-CD2 3.93Å; L77-W141 HydrophobicContact CD2-CG 3.71Å; L77-W141 HydrophobicContact CG-CB 4.04Å; L77-W141 HydrophobicContact CG-CG 3.81Å; L77-N152 PolarHBondContact N-O 2.73Å; L77-N152 PolarHBondContact N-OD1 2.69Å
78	E	93.6	Very high	96.7	Very high	161 Å²	161	50 Å²	50	75%	0.752	27%	0.27	S	S	*	.	S	Bend	trans	-87.8	-33.1	-167.9	-64.6	174.3	170.7	0	0	114.7	N152	E78-N152 WeakPolarHBondContact CG-OD1 3.44Å; E78-N152 PolarHBondContact N-OD1 3.31Å; E78-N152 VanDerWaalsContact N-OD1 3.1Å; E78-N152 PolarHBondContact OE2-ND2 2.75Å; E78-N152 VanDerWaalsContact OE2-ND2 3.13Å
79	A	93.5	Very high	97	Very high	47 Å²	47	50.9 Å²	50.9	39%	0.388	28%	0.277	S	S	.	.	S	Bend	trans	-73.8	147.4	-172.8	0	0	0	0	0	111.8	T76 E81 K84	T76-A79 WeakPolarHBondContact OG1-CB 3.45Å; T76-A79 PolarHBondContact OG1-N 3.27Å; A79-E81 HydrophobicContact CB-CG 4.28Å; A79-E81 PolarHBondContact O-N 3.15Å; A79-E81 VanDerWaalsContact O-N 3.12Å; A79-K84 WeakPolarHBondContact O-CE 3.15Å; A79-K84 PolarHBondContact O-NZ 3.17Å
80	N	93.4	Very high	96.9	Very high	162 Å²	162	54.5 Å²	54.5	87%	0.866	29%	0.294	S	S	*	.			trans	-81.8	90.2	172.2	-170.3	22.9	0	0	0	109.9
81	E	96.5	Very high	96.8	Very high	27 Å²	27	61.6 Å²	61.6	13%	0.126	32%	0.321	C	S	.	.			trans	-91.9	129.3	-177.3	-68.3	165.2	168.8	0	0	110.5	A74 D75 T76 A79 A83 K84	A74-E81 VanDerWaalsContact CA-OE2 3.3Å; A74-E81 WeakPolarHBondContact CA-OE2 3.08Å; D75-E81 PolarHBondContact N-OE2 3.01Å; T76-E81 PolarHBondContact N-OE1 3.34Å; T76-E81 PolarHBondContact OG1-OE1 3.29Å; A79-E81 HydrophobicContact CB-CG 4.28Å; A79-E81 PolarHBondContact O-N 3.15Å; A79-E81 VanDerWaalsContact O-N 3.12Å; E81-A83 PolarHBondContact O-N 2.95Å; E81-K84 HydrophobicContact CB-CD 4.16Å; E81-K84 HydrophobicContact CB-CG 4.03Å; E81-K84 WeakPolarHBondContact O-CB 3.47Å; E81-K84 PolarHBondContact O-N 3.06Å; E81-K84 WeakPolarHBondContact OE2-CE 3.5Å
82	P	96.9	Very high	96.8	Very high	142 Å²	142	62.9 Å²	62.9	92%	0.922	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.5	178.9	-26.1	34.4	0	0	0	114.5	K84	P82-K84 VanDerWaalsContact C-N 3.3Å
83	A	97	Very high	96.8	Very high	18 Å²	18	64 Å²	64	15%	0.149	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-17	177.5	0	0	0	0	0	113.5	E81 Q85 E119	E81-A83 PolarHBondContact O-N 2.95Å; A83-Q85 PolarHBondContact O-N 3Å; A83-E119 HydrophobicContact CB-CB 3.78Å; A83-E119 HydrophobicContact CB-CG 3.7Å
84	K	98.4	Very high	96.8	Very high	47 Å²	47	66.5 Å²	66.5	20%	0.204	35%	0.351	C	S	.	.			trans	-67.1	129.5	-175.5	-81.5	176.5	179.8	-178.7	0	111.5	V71 L72 A74 T76 L77 A79 E81 P82	V71-K84 HydrophobicContact CG1-CB 4.24Å; V71-K84 HydrophobicContact CG1-CD 4.12Å; V71-K84 HydrophobicContact CG1-CG 3.95Å; L72-K84 VanDerWaalsContact O-CA 3.28Å; L72-K84 WeakPolarHBondContact O-CA 3.36Å; A74-K84 HydrophobicContact CB-CD 4.38Å; A74-K84 HydrophobicContact CB-CG 4.09Å; T76-K84 WeakPolarHBondContact O-CE 3.4Å; T76-K84 PolarHBondContact O-NZ 3.19Å; L77-K84 PolarHBondContact O-NZ 3.45Å; A79-K84 WeakPolarHBondContact O-CE 3.15Å; A79-K84 PolarHBondContact O-NZ 3.17Å; E81-K84 HydrophobicContact CB-CD 4.16Å; E81-K84 HydrophobicContact CB-CG 4.03Å; E81-K84 WeakPolarHBondContact O-CB 3.47Å; E81-K84 PolarHBondContact O-N 3.06Å; E81-K84 WeakPolarHBondContact OE2-CE 3.5Å; P82-K84 VanDerWaalsContact C-N 3.3Å
85	Q	98.5	Very high	96.8	Very high	35 Å²	35	67.2 Å²	67.2	16%	0.164	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118.7	171	-63.2	178.9	46.6	0	0	108.9	V71 L72 A83 N115	V71-Q85 WeakPolarHBondContact CA-O 3.11Å; L72-Q85 HydrophobicContact CB-CB 4.41Å; L72-Q85 PolarHBondContact N-O 2.96Å; L72-Q85 PolarHBondContact O-N 3.19Å; A83-Q85 PolarHBondContact O-N 3Å; Q85-N115 PolarHBondContact NE2-O 2.93Å
86	S	98.2	Very high	96.9	Very high	87 Å²	87	71.4 Å²	71.4	61%	0.608	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	110.1	-176.7	-170.3	0	0	0	0	109.3	T69	T69-S86 WeakPolarHBondContact CG2-OG 3.5Å
87	L	98.4	Very high	96.9	Very high	15 Å²	15	76 Å²	76	8%	0.079	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.3	-169.4	-62	171.9	0	0	0	109.9	T69 V70 L72 L110 S112 A114	T69-L87 WeakPolarHBondContact CG2-O 3.33Å; V70-L87 PolarHBondContact N-O 3.21Å; V70-L87 PolarHBondContact O-N 3Å; L72-L87 HydrophobicContact CD1-CD1 3.86Å; L87-L110 HydrophobicContact CB-CB 4.49Å; L87-L110 HydrophobicContact CB-CD1 4.37Å; L87-L110 HydrophobicContact CD1-CD1 3.66Å; L87-S112 VanDerWaalsContact CD2-OG 3.27Å; L87-S112 WeakPolarHBondContact CD2-OG 3.42Å; L87-A114 HydrophobicContact CD1-CB 3.86Å
88	R	97.6	Very high	97.1	Very high	190 Å²	190	78.2 Å²	78.2	72%	0.717	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	146.9	177	-66.9	-178.8	179.3	169	0.1	110	S111	R88-S111 PolarHBondContact O-N 3.12Å; R88-S111 PolarHBondContact O-OG 3.48Å
89	V	97.5	Very high	97.1	Very high	30 Å²	30	74 Å²	74	18%	0.182	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	123.1	167.9	177.3	0	0	0	0	108.8	Y68 V70 L108	Y68-V89 HydrophobicContact CD2-CB 4.26Å; Y68-V89 HydrophobicContact CD2-CG2 3.62Å; Y68-V89 HydrophobicContact CE2-CB 4.09Å; Y68-V89 HydrophobicContact CE2-CG1 4.17Å; Y68-V89 HydrophobicContact CE2-CG2 3.55Å; Y68-V89 PolarHBondContact O-N 2.78Å; V70-V89 HydrophobicContact CG2-CG2 3.81Å; V89-L108 HydrophobicContact CG1-CB 4.29Å; V89-L108 HydrophobicContact CG1-CD2 4.12Å; V89-L108 HydrophobicContact CG2-CB 4.46Å; V89-L108 HydrophobicContact CG2-CD1 4.23Å
90	L	96.6	Very high	96.7	Very high	115 Å²	115	80 Å²	80	60%	0.602	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	-40.7	176.4	179.7	63	0	0	0	111.1	K109	L90-K109 WeakPolarHBondContact CB-O 3.36Å; L90-K109 HydrophobicContact CD2-CD 4.4Å; L90-K109 HydrophobicContact CD2-CG 4.45Å; L90-K109 PolarHBondContact N-O 3.23Å
91	R	96.6	Very high	96.2	Very high	149 Å²	149	76.5 Å²	76.5	56%	0.562	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156	138.8	-177.6	-171.9	167.6	178.4	-178.1	4.4	112.1	F93 K109	R91-F93 HydrophobicContact CB-CE2 3.9Å; R91-F93 HydrophobicContact CB-CZ 4.2Å; R91-F93 VanDerWaalsContact CD-CZ 3.45Å; R91-F93 HydrophobicContact CG-CD2 4.34Å; R91-F93 HydrophobicContact CG-CE1 4.3Å; R91-F93 HydrophobicContact CG-CE2 3.75Å; R91-F93 HydrophobicContact CG-CZ 3.74Å; R91-K109 HydrophobicContact CB-CB 4.41Å; R91-K109 PolarHBondContact N-O 3.12Å; R91-K109 PolarHBondContact O-N 3.31Å
92	S	97.9	Very high	96.1	Very high	33 Å²	33	76.2 Å²	76.2	23%	0.231	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	141.9	171.1	-50.3	0	0	0	0	110.8	D63 Y68	D63-S92 WeakPolarHBondContact OD2-CB 3.23Å; Y68-S92 PolarHBondContact OH-OG 2.95Å
93	F	98.2	Very high	96.1	Very high	25 Å²	25	71 Å²	71	11%	0.11	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	76.3	173.9	-58.2	-95.1	0	0	0	108.6	F55 R91 M106 L107 K109 W236 V240 N244	F55-F93 HydrophobicContact CE1-CD2 4.18Å; F55-F93 HydrophobicContact CE1-CE2 4.05Å; F55-F93 HydrophobicContact CZ-CE2 4.26Å; R91-F93 HydrophobicContact CB-CE2 3.9Å; R91-F93 HydrophobicContact CB-CZ 4.2Å; R91-F93 VanDerWaalsContact CD-CZ 3.45Å; R91-F93 HydrophobicContact CG-CD2 4.34Å; R91-F93 HydrophobicContact CG-CE1 4.3Å; R91-F93 HydrophobicContact CG-CE2 3.75Å; R91-F93 HydrophobicContact CG-CZ 3.74Å; F93-M106 WeakPolarHBondContact O-CA 3.45Å; F93-L107 HydrophobicContact CB-CB 4.21Å; F93-L107 PolarHBondContact N-O 2.83Å; F93-L107 PolarHBondContact O-N 2.89Å; F93-K109 HydrophobicContact CE2-CB 3.85Å; F93-W236 WeakPolarHBondContact O-CH2 3.38Å; F93-W236 VanDerWaalsContact O-CZ2 3.25Å; F93-W236 WeakPolarHBondContact O-CZ2 3.45Å; F93-V240 HydrophobicContact CB-CG1 4.04Å; F93-V240 HydrophobicContact CD1-CG1 3.99Å; F93-V240 HydrophobicContact CD2-CG1 4.16Å; F93-V240 HydrophobicContact CE1-CG1 4.45Å; F93-V240 HydrophobicContact CG-CG1 3.82Å; F93-N244 HydrophobicContact CZ-CB 4.25Å; F93-N244 VanDerWaalsContact CZ-OD1 3.32Å; F93-N244 WeakPolarHBondContact CZ-OD1 3.26Å
94	P	98.3	Very high	96.2	Very high	56 Å²	56	70.2 Å²	70.2	36%	0.364	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	149	169.5	28.4	-34.1	0	0	0	109.6	A60 M106	A60-P94 HydrophobicContact CB-CB 4.12Å; P94-M106 HydrophobicContact CB-CG 4.49Å; P94-M106 HydrophobicContact CB-SD 4.31Å
95	H	98.6	Very high	96.2	Very high	22 Å²	22	68 Å²	68	10%	0.102	35%	0.348	C	S	.	.			trans	-58.1	133.7	173.6	-167.9	-84.4	0	0	0	109.8	D97 Y98 N103 I105 F233 W236	H95-D97 IonicContact CE1-OD2 3.3Å; H95-D97 PolarHBondContact CE1-OD2 3.29Å; H95-D97 PolarHBondContact ND1-N 2.9Å; H95-D97 VanDerWaalsContact ND1-N 3.19Å; H95-D97 PolarHBondContact O-N 2.81Å; H95-Y98 WeakPolarHBondContact O-CB 3.43Å; H95-Y98 PolarHBondContact O-N 2.85Å; H95-N103 HydrophobicContact CB-CB 4.46Å; H95-I105 HydrophobicContact CB-CG2 3.75Å; H95-I105 PolarHBondContact N-O 3.13Å; H95-F233 AromaticContact CD2-CD1 3.45Å; H95-F233 VanDerWaalsContact CD2-CD1 3.45Å; H95-F233 WeakPolarHBondContact CD2-CD1 3.06Å; H95-F233 AromaticContact CD2-CE1 3.75Å; H95-F233 AromaticContact NE2-CD1 3.58Å; H95-F233 AromaticContact NE2-CE1 3.75Å; H95-W236 HydrophobicContact CB-CH2 4.46Å; H95-W236 HydrophobicContact CB-CZ2 4.21Å; H95-W236 AromaticContact CD2-CD1 3.89Å; H95-W236 AromaticContact CD2-CD2 3.52Å; H95-W236 AromaticContact CD2-CE2 3.78Å; H95-W236 AromaticContact CD2-CE3 3.93Å; H95-W236 AromaticContact CD2-CG 3.62Å; H95-W236 AromaticContact CD2-NE1 3.97Å; H95-W236 AromaticContact NE2-CG 3.95Å
96	P	97.8	Very high	96.2	Very high	99 Å²	99	66.3 Å²	66.3	64%	0.643	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.3	-174.2	22.8	-34.6	0	0	0	113.4
97	D	97.9	Very high	96.2	Very high	106 Å²	106	62.2 Å²	62.2	57%	0.567	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	18.6	178.1	-52.5	-43.5	0	0	0	113.4	H95 T99 N103	H95-D97 IonicContact CE1-OD2 3.3Å; H95-D97 PolarHBondContact CE1-OD2 3.29Å; H95-D97 PolarHBondContact ND1-N 2.9Å; H95-D97 VanDerWaalsContact ND1-N 3.19Å; H95-D97 PolarHBondContact O-N 2.81Å; D97-T99 PolarHBondContact O-N 3.04Å; D97-N103 PolarHBondContact O-ND2 3.13Å
98	Y	97.6	Very high	96.2	Very high	76 Å²	76	61.5 Å²	61.5	30%	0.298	31%	0.307	S	S	.	.			trans	-59.6	134.8	176.9	168.1	-113.9	0	0	0	111.6	A60 H61 H95 D104	A60-Y98 HydrophobicContact CB-CD1 3.91Å; A60-Y98 HydrophobicContact CB-CD2 3.56Å; A60-Y98 HydrophobicContact CB-CE1 4.21Å; A60-Y98 HydrophobicContact CB-CE2 3.86Å; A60-Y98 HydrophobicContact CB-CG 3.57Å; H61-Y98 WeakPolarHBondContact CA-OH 3.18Å; H61-Y98 HydrophobicContact CB-CE2 4.49Å; H61-Y98 WeakPolarHBondContact CB-OH 3.47Å; H95-Y98 WeakPolarHBondContact O-CB 3.43Å; H95-Y98 PolarHBondContact O-N 2.85Å; Y98-D104 HydrophobicContact CD2-CB 4.09Å; Y98-D104 HydrophobicContact CE2-CB 3.84Å
99	T	93.9	Very high	96.3	Very high	74 Å²	74	54.8 Å²	54.8	45%	0.454	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-136	162.4	168.2	65.8	0	0	0	0	108.4	D97 L101 A102	D97-T99 PolarHBondContact O-N 3.04Å; T99-L101 PolarHBondContact O-N 2.97Å; T99-A102 PolarHBondContact N-O 2.84Å; T99-A102 PolarHBondContact O-N 2.81Å; T99-A102 PolarHBondContact OG1-N 2.89Å; T99-A102 VanDerWaalsContact OG1-N 3.09Å
100	E	84.9	Confident	96.3	Very high	173 Å²	173	53.6 Å²	53.6	81%	0.808	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-21.6	178.4	-63.1	-174.7	166.6	0	0	114.1
101	L	82.4	Confident	96.4	Very high	88 Å²	88	51.1 Å²	51.1	46%	0.461	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-3.8	-179.5	-63.6	178.5	0	0	0	114	T99 M180	T99-L101 PolarHBondContact O-N 2.97Å; L101-M180 WeakPolarHBondContact O-CE 3.38Å
102	A	94.4	Very high	96.5	Very high	21 Å²	21	47 Å²	47	17%	0.174	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-157.4	155.5	-173.6	0	0	0	0	0	113.5	T99 D104 M180	T99-A102 PolarHBondContact N-O 2.84Å; T99-A102 PolarHBondContact O-N 2.81Å; T99-A102 PolarHBondContact OG1-N 2.89Å; T99-A102 VanDerWaalsContact OG1-N 3.09Å; A102-D104 PolarHBondContact O-N 3.19Å; A102-M180 HydrophobicContact CB-CE 4.31Å
103	N	97.8	Very high	96.5	Very high	31 Å²	31	53.1 Å²	53.1	17%	0.166	28%	0.28	C	S	.	.			trans	55.5	35.9	178.4	-46	-45.9	0	0	0	112.4	H95 D97 I105 F233	H95-N103 HydrophobicContact CB-CB 4.46Å; D97-N103 PolarHBondContact O-ND2 3.13Å; N103-I105 VanDerWaalsContact C-N 3.29Å; N103-I105 PolarHBondContact O-N 2.86Å; N103-F233 HydrophobicContact CB-CE1 3.86Å; N103-F233 HydrophobicContact CB-CZ 3.98Å; N103-F233 VanDerWaalsContact OD1-CZ 3.28Å; N103-F233 WeakPolarHBondContact OD1-CZ 3.05Å
104	D	98.3	Very high	96.5	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.016	28%	0.277	C	S	.	.			trans	-78.1	79.3	-178	-178.1	25.5	0	0	0	110.5	A60 H61 Y98 A102 S212 T228	A60-D104 WeakPolarHBondContact CA-OD1 3.28Å; A60-D104 PolarHBondContact N-OD1 2.78Å; H61-D104 IonicContact CE1-OD2 2.63Å; H61-D104 PolarHBondContact CE1-OD2 3.04Å; H61-D104 IonicContact CG-OD1 2.73Å; H61-D104 IonicContact CG-OD2 3.11Å; H61-D104 PolarHBondContact N-OD1 3.16Å; H61-D104 VanDerWaalsContact ND1-CG 3.33Å; H61-D104 IonicContact ND1-OD1 3.43Å; H61-D104 PolarHBondContact ND1-OD1 3.2Å; H61-D104 IonicContact ND1-OD2 3.4Å; H61-D104 PolarHBondContact ND1-OD2 2.91Å; Y98-D104 HydrophobicContact CD2-CB 4.09Å; Y98-D104 HydrophobicContact CE2-CB 3.84Å; A102-D104 PolarHBondContact O-N 3.19Å; D104-S212 WeakPolarHBondContact CB-OG 3.08Å; D104-S212 WeakPolarHBondContact OD2-CA 3.4Å; D104-S212 VanDerWaalsContact OD2-CB 3.31Å; D104-S212 WeakPolarHBondContact OD2-CB 3.48Å; D104-S212 PolarHBondContact OD2-OG 2.63Å; D104-T228 WeakPolarHBondContact O-CB 3.39Å; D104-T228 PolarHBondContact O-OG1 3.07Å
105	I	98.8	Very high	96.5	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.289	C	S	.	.			trans	-152.9	138	-176.6	-165.6	171.5	0	0	0	110.1	L57 H95 N103 V210 T228 F233 W236 I237	L57-I105 HydrophobicContact CD1-CD1 3.87Å; L57-I105 HydrophobicContact CD1-CG1 3.62Å; H95-I105 HydrophobicContact CB-CG2 3.75Å; H95-I105 PolarHBondContact N-O 3.13Å; N103-I105 VanDerWaalsContact C-N 3.29Å; N103-I105 PolarHBondContact O-N 2.86Å; I105-V210 HydrophobicContact CD1-CG2 4.34Å; I105-V210 HydrophobicContact CG1-CG2 4.29Å; I105-T228 HydrophobicContact CB-CG2 4.03Å; I105-T228 HydrophobicContact CD1-CG2 4.41Å; I105-T228 HydrophobicContact CG2-CG2 4.4Å; I105-F233 HydrophobicContact CD1-CB 3.9Å; I105-F233 HydrophobicContact CD1-CD2 4.22Å; I105-F233 HydrophobicContact CD1-CG 4.1Å; I105-F233 HydrophobicContact CG2-CD1 3.83Å; I105-F233 HydrophobicContact CG2-CD2 4.42Å; I105-F233 HydrophobicContact CG2-CE1 4.11Å; I105-F233 HydrophobicContact CG2-CG 3.99Å; I105-W236 HydrophobicContact CB-CZ3 4.5Å; I105-W236 HydrophobicContact CD1-CZ3 4.27Å; I105-W236 HydrophobicContact CG1-CZ3 4.06Å; I105-W236 HydrophobicContact CG2-CE3 4.35Å; I105-W236 HydrophobicContact CG2-CH2 4.32Å; I105-W236 HydrophobicContact CG2-CZ3 3.85Å; I105-I237 HydrophobicContact CD1-CD1 4.08Å
106	M	98.6	Very high	96.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	143.9	-177.5	172.2	167.2	64.8	0	0	110.9	T58 A59 A60 D63 F93 P94 L108	T58-M106 HydrophobicContact CG2-CB 4.09Å; T58-M106 HydrophobicContact CG2-CE 3.61Å; T58-M106 HydrophobicContact CG2-CG 4.27Å; T58-M106 PolarHBondContact N-O 2.98Å; T58-M106 PolarHBondContact O-N 2.03Å; A59-M106 WeakPolarHBondContact O-CE 3.21Å; A60-M106 HydrophobicContact CB-CB 4.19Å; D63-M106 HydrophobicContact CB-CE 3.76Å; D63-M106 HydrophobicContact CB-SD 3.85Å; F93-M106 WeakPolarHBondContact O-CA 3.45Å; P94-M106 HydrophobicContact CB-CG 4.49Å; P94-M106 HydrophobicContact CB-SD 4.31Å; M106-L108 HydrophobicContact CE-CD2 3.74Å; M106-L108 HydrophobicContact CG-CD2 3.99Å; M106-L108 HydrophobicContact SD-CD2 3.88Å
107	L	98.8	Very high	96.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	140.7	167.9	-74.8	167.8	0	0	0	110.5	L51 F55 V56 L57 F93 W236 I237 V240 L241	L51-L107 HydrophobicContact CD1-CD2 3.85Å; F55-L107 HydrophobicContact CD1-CB 4.08Å; F55-L107 HydrophobicContact CD1-CD2 4.4Å; F55-L107 HydrophobicContact CE1-CB 4.3Å; V56-L107 CarbonylContact O-C 3.4Å; V56-L107 WeakPolarHBondContact O-CA 3.27Å; L57-L107 HydrophobicContact CB-CD2 4.32Å; L57-L107 HydrophobicContact CD1-CD2 3.88Å; L57-L107 HydrophobicContact CD1-CG 4.35Å; F93-L107 HydrophobicContact CB-CB 4.21Å; F93-L107 PolarHBondContact N-O 2.83Å; F93-L107 PolarHBondContact O-N 2.89Å; L107-W236 HydrophobicContact CB-CH2 4.49Å; L107-W236 HydrophobicContact CD1-CH2 4.24Å; L107-W236 HydrophobicContact CD1-CZ3 4.27Å; L107-W236 HydrophobicContact CG-CH2 4.11Å; L107-W236 HydrophobicContact CG-CZ3 4.27Å; L107-I237 HydrophobicContact CD1-CB 4.39Å; L107-I237 HydrophobicContact CD1-CG1 4.48Å; L107-I237 HydrophobicContact CD1-CG2 4.13Å; L107-I237 HydrophobicContact CD2-CG2 4.45Å; L107-V240 HydrophobicContact CB-CG1 4.23Å; L107-V240 HydrophobicContact CD1-CB 3.6Å; L107-V240 HydrophobicContact CD1-CG1 3.55Å; L107-V240 HydrophobicContact CD1-CG2 4.29Å; L107-L241 HydrophobicContact CD1-CG 4.49Å
108	L	98.6	Very high	96.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.8	177.2	-56.9	178.4	0	0	0	109.2	L38 F55 V56 T58 Y68 V70 V89 M106	L38-L108 HydrophobicContact CD1-CD1 4.31Å; L38-L108 HydrophobicContact CD2-CD1 3.87Å; L38-L108 HydrophobicContact CG-CD1 4.1Å; F55-L108 VanDerWaalsContact CA-O 3.3Å; F55-L108 WeakPolarHBondContact CA-O 3.38Å; V56-L108 HydrophobicContact CB-CB 4.26Å; V56-L108 HydrophobicContact CB-CD1 4.49Å; V56-L108 HydrophobicContact CG1-CD1 4.34Å; V56-L108 PolarHBondContact N-O 2.85Å; V56-L108 PolarHBondContact O-N 2.77Å; T58-L108 HydrophobicContact CG2-CD1 3.83Å; T58-L108 HydrophobicContact CG2-CD2 4.35Å; T58-L108 HydrophobicContact CG2-CG 3.9Å; Y68-L108 HydrophobicContact CE2-CD1 3.75Å; Y68-L108 HydrophobicContact CE2-CD2 3.95Å; Y68-L108 HydrophobicContact CE2-CG 4.48Å; Y68-L108 WeakPolarHBondContact OH-CD2 3.31Å; V70-L108 HydrophobicContact CG2-CD1 4.14Å; V89-L108 HydrophobicContact CG1-CB 4.29Å; V89-L108 HydrophobicContact CG1-CD2 4.12Å; V89-L108 HydrophobicContact CG2-CB 4.46Å; V89-L108 HydrophobicContact CG2-CD1 4.23Å; M106-L108 HydrophobicContact CE-CD2 3.74Å; M106-L108 HydrophobicContact CG-CD2 3.99Å; M106-L108 HydrophobicContact SD-CD2 3.88Å
109	K	98.4	Very high	96.7	Very high	50 Å²	50	55.2 Å²	55.2	22%	0.217	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	124.9	168.5	-177.8	165.1	-176.4	164.9	0	109.5	D54 F55 L90 R91 F93 N244	D54-K109 WeakPolarHBondContact O-CA 3.4Å; F55-K109 HydrophobicContact CE1-CB 3.92Å; F55-K109 HydrophobicContact CE2-CB 4.14Å; F55-K109 HydrophobicContact CE2-CD 4.03Å; F55-K109 HydrophobicContact CE2-CG 3.98Å; F55-K109 HydrophobicContact CZ-CB 3.71Å; F55-K109 HydrophobicContact CZ-CD 3.92Å; F55-K109 HydrophobicContact CZ-CG 3.97Å; L90-K109 WeakPolarHBondContact CB-O 3.36Å; L90-K109 HydrophobicContact CD2-CD 4.4Å; L90-K109 HydrophobicContact CD2-CG 4.45Å; L90-K109 PolarHBondContact N-O 3.23Å; R91-K109 HydrophobicContact CB-CB 4.41Å; R91-K109 PolarHBondContact N-O 3.12Å; R91-K109 PolarHBondContact O-N 3.31Å; F93-K109 HydrophobicContact CE2-CB 3.85Å; K109-N244 HydrophobicContact CD-CB 4.44Å; K109-N244 PolarHBondContact NZ-O 3.25Å
110	L	98.5	Very high	96.9	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	152.6	178.3	-52.5	-178.2	0	0	0	110.7	L50 D54 V56 V70 L87 S112	L50-L110 HydrophobicContact CD1-CD1 4.25Å; D54-L110 PolarHBondContact O-N 3.35Å; V56-L110 HydrophobicContact CG2-CD1 4.25Å; V56-L110 HydrophobicContact CG2-CD2 4.28Å; V70-L110 HydrophobicContact CB-CD2 3.89Å; V70-L110 HydrophobicContact CG1-CD2 4.39Å; V70-L110 HydrophobicContact CG2-CD2 3.75Å; L87-L110 HydrophobicContact CB-CB 4.49Å; L87-L110 HydrophobicContact CB-CD1 4.37Å; L87-L110 HydrophobicContact CD1-CD1 3.66Å; L110-S112 WeakPolarHBondContact CB-O 3.14Å; L110-S112 PolarHBondContact O-N 2.59Å
111	S	97.9	Very high	97.5	Very high	64 Å²	64	48 Å²	48	45%	0.448	24%	0.244	S	C	.	.	S	Bend	trans	-67.3	-19.8	178.5	61.4	0	0	0	0	113.8	R88	R88-S111 PolarHBondContact O-N 3.12Å; R88-S111 PolarHBondContact O-OG 3.48Å
112	S	98.2	Very high	98.3	Very high	61 Å²	61	46.9 Å²	46.9	43%	0.427	24%	0.239	S	C	.	.	S	Bend	trans	-153.2	158.8	176	53.5	0	0	0	0	109.7	L87 L110	L87-S112 VanDerWaalsContact CD2-OG 3.27Å; L87-S112 WeakPolarHBondContact CD2-OG 3.42Å; L110-S112 WeakPolarHBondContact CB-O 3.14Å; L110-S112 PolarHBondContact O-N 2.59Å
113	R	98.8	Very high	98.5	Very high	163 Å²	163	46.2 Å²	46.2	62%	0.615	23%	0.232	S	C	*	.	P	Polyproline II helix	trans	-66.1	134.9	174.5	-68.8	176.3	-178.6	-94.3	-4.1	110.3	E53 D54	E53-R113 HydrophobicContact CB-CB 3.89Å; E53-R113 HydrophobicContact CB-CG 4.14Å; E53-R113 CarbonylContact O-C 3.45Å; E53-R113 WeakPolarHBondContact O-CA 3.46Å; E53-R113 IonicContact OE2-NH1 3.58Å; E53-R113 PolarHBondContact OE2-NH1 2.64Å; D54-R113 HydrophobicContact CB-CG 4.12Å
114	A	98.8	Very high	98.5	Very high	5 Å²	5	48.3 Å²	48.3	4%	0.041	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-64.6	142.3	166.5	0	0	0	0	0	110	L50 E53 L72 L87 V120	L50-A114 HydrophobicContact CD2-CB 4.2Å; E53-A114 WeakPolarHBondContact O-CB 3.3Å; E53-A114 PolarHBondContact O-N 3.03Å; L72-A114 HydrophobicContact CD1-CB 3.49Å; L72-A114 VanDerWaalsContact CD1-CB 3.49Å; L87-A114 HydrophobicContact CD1-CB 3.86Å; A114-V120 HydrophobicContact CB-CG1 4.35Å
115	N	98.7	Very high	98.5	Very high	114 Å²	114	49.6 Å²	49.6	61%	0.61	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-81.4	119.4	170.4	-171.1	8.5	0	0	0	108.6	Q85 T117	Q85-N115 PolarHBondContact NE2-O 2.93Å; N115-T117 PolarHBondContact O-N 3.26Å
116	L	98.8	Very high	98.4	Very high	71 Å²	71	51.9 Å²	51.9	37%	0.372	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-75.4	126.5	178.9	-59.5	-175.3	0	0	0	110.1	L50 E53 V120 L122	L50-L116 HydrophobicContact CD2-CD2 4.2Å; E53-L116 HydrophobicContact CG-CD1 3.98Å; E53-L116 HydrophobicContact CG-CD2 4.04Å; E53-L116 HydrophobicContact CG-CG 3.88Å; L116-V120 CarbonylContact C-O 3.55Å; L116-V120 WeakPolarHBondContact CA-O 3.13Å; L116-V120 HydrophobicContact CD2-CG1 4.48Å; L116-L122 HydrophobicContact CD1-CD1 4.34Å; L116-L122 HydrophobicContact CD1-CG 4.17Å; L116-L122 HydrophobicContact CD2-CD2 3.84Å; L116-L122 HydrophobicContact CD2-CG 4.14Å
117	T	98.6	Very high	98	Very high	47 Å²	47	55.5 Å²	55.5	29%	0.288	29%	0.29	S	S	.	.			trans	-132.1	-170.6	179.8	75.8	0	0	0	0	110.3	N115 E119 V120 Q121	N115-T117 PolarHBondContact O-N 3.26Å; T117-E119 VanDerWaalsContact C-N 3.26Å; T117-E119 PolarHBondContact OG1-N 3.47Å; T117-E119 VanDerWaalsContact OG1-N 3.09Å; T117-E119 PolarHBondContact OG1-OE2 2.89Å; T117-V120 PolarHBondContact N-O 3.06Å; T117-V120 PolarHBondContact OG1-N 3.05Å; T117-V120 VanDerWaalsContact OG1-N 3.13Å; T117-Q121 VanDerWaalsContact O-CG 3.23Å; T117-Q121 WeakPolarHBondContact O-CG 3.48Å; T117-Q121 PolarHBondContact O-NE2 2.82Å
118	K	98.2	Very high	97.5	Very high	163 Å²	163	57.1 Å²	57.1	71%	0.709	31%	0.307	S	S	*	.	S	Bend	trans	-70.5	-24.4	170.4	65.6	-172.1	167.3	84.6	0	112.4
119	E	98.6	Very high	97	Very high	27 Å²	27	67.4 Å²	67.4	13%	0.126	35%	0.345	C	S	.	.	S	Bend	trans	-96.2	-15.6	177.8	-56	81.6	-174.3	0	0	113.9	H30 P33 G73 A83 T117	H30-E119 HydrophobicContact CB-CB 4.09Å; H30-E119 HydrophobicContact CB-CG 3.77Å; H30-E119 VanDerWaalsContact CG-CG 3.48Å; P33-E119 VanDerWaalsContact CA-O 3.24Å; P33-E119 WeakPolarHBondContact CA-O 3.4Å; P33-E119 VanDerWaalsContact CB-C 3.5Å; P33-E119 VanDerWaalsContact CB-O 3.31Å; P33-E119 WeakPolarHBondContact CB-O 3.44Å; G73-E119 WeakPolarHBondContact CA-O 3.4Å; A83-E119 HydrophobicContact CB-CB 3.78Å; A83-E119 HydrophobicContact CB-CG 3.7Å; T117-E119 VanDerWaalsContact C-N 3.26Å; T117-E119 PolarHBondContact OG1-N 3.47Å; T117-E119 VanDerWaalsContact OG1-N 3.09Å; T117-E119 PolarHBondContact OG1-OE2 2.89Å
120	V	98.8	Very high	96.7	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.34	C	S	.	.	S	Bend	trans	-126.5	107.4	178.6	-178.5	0	0	0	0	109.7	P33 L50 L72 A114 L116 T117	P33-V120 WeakPolarHBondContact O-CA 3.47Å; L50-V120 HydrophobicContact CD2-CG1 3.81Å; L72-V120 HydrophobicContact CB-CG1 4.08Å; L72-V120 HydrophobicContact CB-CG2 4.02Å; L72-V120 HydrophobicContact CD1-CG1 4.07Å; A114-V120 HydrophobicContact CB-CG1 4.35Å; L116-V120 CarbonylContact C-O 3.55Å; L116-V120 WeakPolarHBondContact CA-O 3.13Å; L116-V120 HydrophobicContact CD2-CG1 4.48Å; T117-V120 PolarHBondContact N-O 3.06Å; T117-V120 PolarHBondContact OG1-N 3.05Å; T117-V120 VanDerWaalsContact OG1-N 3.13Å
121	Q	98.8	Very high	96.5	Very high	95 Å²	95	75 Å²	75	44%	0.444	37%	0.373	S	S	.	.			trans	-137.2	160.5	179.8	-61.7	-166.7	-3.3	0	0	111.7	P33 Y34 T117	P33-Q121 HydrophobicContact CB-CB 3.94Å; P33-Q121 HydrophobicContact CB-CG 3.98Å; P33-Q121 HydrophobicContact CG-CB 3.82Å; P33-Q121 HydrophobicContact CG-CG 4Å; P33-Q121 PolarHBondContact O-N 3.26Å; Y34-Q121 WeakPolarHBondContact CA-O 3.28Å; Y34-Q121 WeakPolarHBondContact CB-O 3.45Å; T117-Q121 VanDerWaalsContact O-CG 3.23Å; T117-Q121 WeakPolarHBondContact O-CG 3.48Å; T117-Q121 PolarHBondContact O-NE2 2.82Å
122	L	98.8	Very high	96.5	Very high	65 Å²	65	76.1 Å²	76.1	34%	0.34	38%	0.378	S	S	.	.			trans	-78.5	151.2	175.5	-49.4	-177.5	0	0	0	110.5	L50 L116	L50-L122 HydrophobicContact CD2-CD2 3.68Å; L50-L122 HydrophobicContact CG-CD2 3.66Å; L50-L122 WeakPolarHBondContact O-CA 3.08Å; L116-L122 HydrophobicContact CD1-CD1 4.34Å; L116-L122 HydrophobicContact CD1-CG 4.17Å; L116-L122 HydrophobicContact CD2-CD2 3.84Å; L116-L122 HydrophobicContact CD2-CG 4.14Å
123	I	98.7	Very high	96.3	Very high	8 Å²	8	75.6 Å²	75.6	4%	0.041	38%	0.382	C	S	.	.			trans	-109.6	141.1	163.5	-166.5	168.5	0	0	0	110.6	Y34 V49 L50 L51 V202	Y34-I123 HydrophobicContact CD1-CB 3.93Å; Y34-I123 HydrophobicContact CD1-CD1 3.97Å; Y34-I123 HydrophobicContact CD1-CG1 4.22Å; Y34-I123 HydrophobicContact CD2-CB 4.35Å; Y34-I123 HydrophobicContact CD2-CD1 4Å; Y34-I123 HydrophobicContact CE1-CD1 3.89Å; Y34-I123 HydrophobicContact CE2-CD1 3.92Å; Y34-I123 HydrophobicContact CG-CB 3.73Å; Y34-I123 HydrophobicContact CG-CD1 4.02Å; Y34-I123 HydrophobicContact CG-CG1 4.33Å; Y34-I123 HydrophobicContact CG-CG2 4.24Å; V49-I123 HydrophobicContact CB-CG2 3.68Å; V49-I123 HydrophobicContact CG1-CG2 4.33Å; V49-I123 HydrophobicContact CG2-CG2 3.71Å; L50-I123 PolarHBondContact O-N 2.94Å; L51-I123 HydrophobicContact CD2-CG2 3.98Å; I123-V202 HydrophobicContact CD1-CG1 4.23Å; I123-V202 HydrophobicContact CD1-CG2 3.8Å
124	S	98.2	Very high	96.2	Very high	74 Å²	74	69.1 Å²	69.1	52%	0.517	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-78.1	152.5	173.2	63.6	0	0	0	0	111.6	A206 S207	S124-A206 WeakPolarHBondContact O-CA 3.42Å; S124-A206 WeakPolarHBondContact OG-CB 3.25Å; S124-S207 PolarHBondContact O-N 2.92Å
125	L	97.9	Very high	96	Very high	30 Å²	30	72.8 Å²	72.8	16%	0.157	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-80	129.6	170.6	-58.8	176.2	0	0	0	109.6	L51 L57 S127 V230 R234 I237	L51-L125 HydrophobicContact CD1-CD2 3.83Å; L51-L125 HydrophobicContact CD2-CD2 3.51Å; L51-L125 HydrophobicContact CD2-CG 4.29Å; L51-L125 HydrophobicContact CG-CD2 4.33Å; L57-L125 HydrophobicContact CD2-CD2 4.21Å; L125-S127 PolarHBondContact O-N 2.94Å; L125-V230 HydrophobicContact CB-CG1 4.08Å; L125-V230 HydrophobicContact CD2-CG1 3.69Å; L125-V230 HydrophobicContact CG-CG1 4.34Å; L125-R234 PolarHBondContact O-NH1 3.02Å; L125-I237 HydrophobicContact CD1-CB 4.29Å; L125-I237 HydrophobicContact CD1-CD1 4Å; L125-I237 HydrophobicContact CD1-CG2 3.68Å; L125-I237 HydrophobicContact CD2-CD1 4.33Å
126	R	95.8	Very high	96	Very high	49 Å²	49	67.5 Å²	67.5	19%	0.185	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-65.2	137.7	173.2	-178.3	58.1	-175.2	-85.9	7.8	109.9	C203 D204 A206 S207 A208 R234	R126-C203 PolarHBondContact NH1-O 2.87Å; R126-C203 VanDerWaalsContact NH1-O 3.15Å; R126-D204 IonicContact CZ-OD2 3.24Å; R126-D204 IonicContact NH1-OD2 3.85Å; R126-D204 PolarHBondContact NH1-OD2 2.83Å; R126-D204 IonicContact NH2-OD2 3.58Å; R126-D204 PolarHBondContact NH2-OD2 3.02Å; R126-A206 HydrophobicContact CB-CB 3.85Å; R126-S207 VanDerWaalsContact CB-O 3.27Å; R126-S207 WeakPolarHBondContact CB-O 3.4Å; R126-S207 PolarHBondContact N-O 3.11Å; R126-A208 HydrophobicContact CB-CB 3.7Å; R126-A208 HydrophobicContact CG-CB 3.87Å; R126-R234 VanDerWaalsContact C-NH1 3.3Å; R126-R234 PolarHBondContact O-NH1 3.45Å
127	S	90.4	Very high	95.9	Very high	76 Å²	76	66.1 Å²	66.1	53%	0.531	35%	0.352	S	S	.	.			trans	-108.3	147	171.9	57.4	0	0	0	0	111.2	L125 D231	L125-S127 PolarHBondContact O-N 2.94Å; S127-D231 WeakPolarHBondContact CA-OD1 3.03Å
128	G	89.1	Confident	95.8	Very high	34 Å²	34	63.9 Å²	63.9	35%	0.351	34%	0.338	S	S	.	.	S	Bend	trans	82.6	179.2	171.7	0	0	0	0	0	114.2	L130 D231	G128-L130 PolarHBondContact O-N 3.21Å; G128-D231 VanDerWaalsContact N-CG 3.34Å; G128-D231 PolarHBondContact N-OD1 3.07Å
129	R	87.1	Confident	95.7	Very high	216 Å²	216	56.2 Å²	56.2	82%	0.815	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-74.9	125.6	-169.8	-174.8	174.9	177.7	177.5	0.2	112.1
130	L	93.3	Very high	95.7	Very high	18 Å²	18	54.9 Å²	54.9	9%	0.094	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-67.2	128.9	165.8	-69.1	174.9	0	0	0	110.7	G128 I161 V181 C203 A208	G128-L130 PolarHBondContact O-N 3.21Å; L130-I161 HydrophobicContact CB-CG2 4.46Å; L130-I161 HydrophobicContact CD1-CD1 4.29Å; L130-V181 HydrophobicContact CD1-CB 4.34Å; L130-V181 HydrophobicContact CD1-CG1 4.16Å; L130-V181 HydrophobicContact CD1-CG2 3.91Å; L130-C203 HydrophobicContact CD2-CB 3.87Å; L130-A208 HydrophobicContact CD1-CB 3.9Å; L130-A208 HydrophobicContact CD2-CB 3.91Å; L130-A208 HydrophobicContact CG-CB 4.31Å
131	R	93.9	Very high	95.6	Very high	194 Å²	194	55 Å²	55	73%	0.732	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-86	141.2	178.1	-63.3	177.8	67.8	163.4	0.4	109.3	G133 S134 I161	R131-G133 PolarHBondContact O-N 3.43Å; R131-S134 VanDerWaalsContact O-CB 3.3Å; R131-S134 WeakPolarHBondContact O-CB 3.42Å; R131-S134 PolarHBondContact O-N 3.49Å; R131-S134 VanDerWaalsContact O-N 3.11Å; R131-S134 PolarHBondContact O-OG 2.8Å; R131-S134 VanDerWaalsContact O-OG 3.13Å; R131-I161 WeakPolarHBondContact O-CB 3.43Å
132	T	96.4	Very high	95.2	Very high	89 Å²	89	50.4 Å²	50.4	55%	0.546	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	135.1	167.7	-60.9	0	0	0	0	109.3	S134 S163	T132-S134 VanDerWaalsContact C-N 3.35Å; T132-S163 WeakPolarHBondContact OG1-CA 3.34Å; T132-S163 WeakPolarHBondContact OG1-CB 3.26Å
133	G	95.7	Very high	94.5	Very high	50 Å²	50	47.5 Å²	47.5	52%	0.515	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	-5.8	-175.8	0	0	0	0	0	114.7	R131 S135 I161	R131-G133 PolarHBondContact O-N 3.43Å; G133-S135 PolarHBondContact O-N 3.16Å; G133-I161 PolarHBondContact N-O 3.01Å
134	S	95.5	Very high	93.3	Very high	26 Å²	26	49 Å²	49	18%	0.182	27%	0.271	C	S	.	.			trans	-60	134.3	172.7	-73.8	0	0	0	0	110.8	R131 T132 T160 I161	R131-S134 VanDerWaalsContact O-CB 3.3Å; R131-S134 WeakPolarHBondContact O-CB 3.42Å; R131-S134 PolarHBondContact O-N 3.49Å; R131-S134 VanDerWaalsContact O-N 3.11Å; R131-S134 PolarHBondContact O-OG 2.8Å; R131-S134 VanDerWaalsContact O-OG 3.13Å; T132-S134 VanDerWaalsContact C-N 3.35Å; S134-T160 WeakPolarHBondContact O-CA 3.39Å; S134-I161 PolarHBondContact O-N 2.88Å
135	S	95.6	Very high	91.8	Very high	83 Å²	83	47.6 Å²	47.6	58%	0.58	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	130.8	173.4	-172.3	0	0	0	0	109.7	G133	G133-S135 PolarHBondContact O-N 3.16Å
136	C	97.2	Very high	90.4	Very high	2 Å²	2	50 Å²	50	1%	0.014	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	168.9	-178.7	-56.3	0	0	0	0	110	N158 V159 L201 V202 C203	C136-N158 WeakPolarHBondContact O-CA 2.98Å; C136-V159 HydrophobicContact CB-CG2 4.11Å; C136-V159 PolarHBondContact N-O 3.1Å; C136-V159 PolarHBondContact O-N 2.78Å; C136-L201 HydrophobicContact CB-CD1 3.59Å; C136-L201 HydrophobicContact CB-CG 4.19Å; C136-V202 CarbonylContact C-O 3.52Å; C136-V202 WeakPolarHBondContact CA-O 3.24Å; C136-V202 VanDerWaalsContact CB-O 3.27Å; C136-V202 WeakPolarHBondContact CB-O 3.46Å; C136-C203 HydrophobicContact CB-CB 4.09Å; C136-C203 WeakPolarHBondContact CB-SG 3.44Å; C136-C203 WeakPolarHBondContact SG-CB 3.39Å; C136-C203 CovalentContact SG-SG 2.03Å; C136-C203 PolarHBondContact SG-SG 3.15Å
137	I	96.6	Very high	89.3	Confident	42 Å²	42	52.2 Å²	52.2	22%	0.215	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.2	178.3	-61.2	175.8	0	0	0	108.7	E156 V157 N158 L201 V202	I137-E156 HydrophobicContact CG2-CB 4.12Å; I137-V157 WeakPolarHBondContact CA-O 3.03Å; I137-N158 WeakPolarHBondContact CG1-OD1 3.49Å; I137-L201 CarbonylContact O-C 3.54Å; I137-V202 PolarHBondContact N-O 3.41Å; I137-V202 PolarHBondContact O-N 2.74Å
138	T	96.8	Very high	88.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.3	163.5	-59.1	0	0	0	0	108.7	E156 V157 F192 P200 V211 Y227	T138-E156 CarbonylContact O-C 3.49Å; T138-E156 VanDerWaalsContact O-CA 3.32Å; T138-E156 WeakPolarHBondContact O-CA 3.49Å; T138-V157 PolarHBondContact N-O 2.75Å; T138-V157 PolarHBondContact O-N 2.8Å; T138-F192 HydrophobicContact CG2-CB 4.16Å; T138-P200 WeakPolarHBondContact CA-O 3.16Å; T138-V211 HydrophobicContact CG2-CG2 3.79Å; T138-Y227 HydrophobicContact CG2-CE1 4.1Å; T138-Y227 WeakPolarHBondContact OG1-CE1 3.34Å; T138-Y227 PolarHBondContact OG1-OH 3.21Å
139	A	97.2	Very high	88.2	Confident	2 Å²	2	55.6 Å²	55.6	2%	0.017	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	152	-179.1	0	0	0	0	0	111.4	M35 L154 Q155 E156	M35-A139 HydrophobicContact CE-CB 4.46Å; M35-A139 WeakPolarHBondContact CE-O 3.22Å; M35-A139 HydrophobicContact SD-CB 4.18Å; A139-L154 HydrophobicContact CB-CD1 4.4Å; A139-Q155 CarbonylContact C-O 3.44Å; A139-Q155 WeakPolarHBondContact CA-O 3.33Å; A139-Q155 VanDerWaalsContact CB-O 3.25Å; A139-Q155 WeakPolarHBondContact CB-O 3.29Å; A139-E156 HydrophobicContact CB-CB 4.3Å
140	G	97.3	Very high	88.2	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171	-178.3	-177.3	0	0	0	0	0	113.6	I21 Q155 D196	I21-G140 WeakPolarHBondContact CD1-O 3.13Å; G140-Q155 PolarHBondContact N-O 2.84Å; G140-Q155 PolarHBondContact O-N 3.38Å; G140-D196 VanDerWaalsContact CA-OD1 3.26Å; G140-D196 WeakPolarHBondContact CA-OD1 3.43Å
141	W	96.6	Very high	88.1	Confident	1 Å²	1	48 Å²	48	0%	0.004	29%	0.287	C	S	.	.	S	Bend	trans	-114.5	17.7	178.1	-62.9	-92.6	0	0	0	112	M35 H44 A74 D75 L77 L150 A151 R153 L154 D196	M35-W141 HydrophobicContact CB-CH2 3.74Å; M35-W141 HydrophobicContact CB-CZ3 4.11Å; M35-W141 HydrophobicContact CE-CE3 4.38Å; M35-W141 HydrophobicContact CE-CH2 4.45Å; M35-W141 HydrophobicContact CE-CZ3 3.81Å; H44-W141 AromaticContact CE1-CE3 4Å; A74-W141 HydrophobicContact CB-CZ2 4.08Å; A74-W141 WeakPolarHBondContact O-CZ2 3.22Å; D75-W141 PolarHBondContact O-NE1 3.3Å; L77-W141 HydrophobicContact CD1-CB 3.78Å; L77-W141 HydrophobicContact CD1-CG 4.13Å; L77-W141 HydrophobicContact CD2-CB 4.12Å; L77-W141 HydrophobicContact CD2-CD2 3.93Å; L77-W141 HydrophobicContact CD2-CG 3.71Å; L77-W141 HydrophobicContact CG-CB 4.04Å; L77-W141 HydrophobicContact CG-CG 3.81Å; W141-L150 WeakPolarHBondContact O-CB 3.29Å; W141-A151 PolarHBondContact O-N 3.24Å; W141-A151 VanDerWaalsContact O-N 3.15Å; W141-R153 VanDerWaalsContact CD1-C 3.5Å; W141-L154 HydrophobicContact CD2-CD1 3.83Å; W141-L154 HydrophobicContact CE3-CD1 3.98Å; W141-L154 HydrophobicContact CH2-CD1 3.86Å; W141-L154 HydrophobicContact CZ2-CB 3.88Å; W141-L154 HydrophobicContact CZ2-CD1 3.69Å; W141-L154 HydrophobicContact CZ2-CD2 4.44Å; W141-L154 HydrophobicContact CZ2-CG 4.19Å; W141-L154 HydrophobicContact CZ3-CD1 4Å; W141-L154 VanDerWaalsContact NE1-N 3.2Å; W141-D196 PolarHBondContact N-OD1 3.12Å
142	G	90.4	Very high	88	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	27%	0.268	C	S	.	.			trans	-64.2	179.9	179.8	0	0	0	0	0	113.8	I144 A151 S194 D196	G142-I144 WeakPolarHBondContact O-CG2 3.1Å; G142-I144 PolarHBondContact O-N 2.04Å; G142-A151 PolarHBondContact O-N 2.75Å; G142-S194 CarbonylContact C-O 3.52Å; G142-S194 WeakPolarHBondContact CA-O 3.45Å; G142-D196 VanDerWaalsContact CA-OD1 3.29Å; G142-D196 WeakPolarHBondContact CA-OD1 3.5Å; G142-D196 PolarHBondContact N-OD1 3.3Å
143	D	84.4	Confident	88	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.021	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-59.5	130.6	-178.9	-175.6	-3	0	0	0	111.6	G145 D146 N147 S148 T149 C193 S194	D143-G145 PolarHBondContact OD1-N 2.93Å; D143-D146 PolarHBondContact OD1-N 2.91Å; D143-D146 VanDerWaalsContact OD1-N 3.1Å; D143-D146 WeakPolarHBondContact OD2-CA 3.48Å; D143-D146 PolarHBondContact OD2-N 2.93Å; D143-N147 PolarHBondContact OD1-N 2.86Å; D143-N147 PolarHBondContact OD1-OD1 3.1Å; D143-N147 PolarHBondContact OD2-N 2.82Å; D143-S148 VanDerWaalsContact OD2-CA 3.29Å; D143-S148 WeakPolarHBondContact OD2-CA 3.37Å; D143-S148 PolarHBondContact OD2-N 3.41Å; D143-T149 WeakPolarHBondContact CA-O 3.31Å; D143-T149 PolarHBondContact OD1-N 3.42Å; D143-C193 HydrophobicContact CB-CB 4.06Å; D143-C193 WeakPolarHBondContact O-CB 3.04Å; D143-S194 PolarHBondContact N-O 3.19Å
144	I	74.9	Confident	88.1	Confident	40 Å²	40	41.2 Å²	41.2	21%	0.205	24%	0.241	C	C	.	.	S	Bend	trans	-99.3	-11.4	-175.2	66.7	-169.4	0	0	0	113.2	T19 I21 G142 T149 A151 Q155	T19-I144 WeakPolarHBondContact O-CD1 3.12Å; I21-I144 VanDerWaalsContact N-CG2 3.35Å; G142-I144 WeakPolarHBondContact O-CG2 3.1Å; G142-I144 PolarHBondContact O-N 2.04Å; I144-T149 PolarHBondContact N-O 3.24Å; I144-A151 HydrophobicContact CG2-CB 3.56Å; I144-Q155 HydrophobicContact CG2-CG 4.49Å
145	G	66.9	Low	88.1	Confident	44 Å²	44	40.1 Å²	40.1	45%	0.454	23%	0.233	S	C	.	.	S	Bend	trans	-136.8	5.3	-168.3	0	0	0	0	0	115.7	D143 N147	D143-G145 PolarHBondContact OD1-N 2.93Å; G145-N147 PolarHBondContact O-N 3.27Å
146	D	67.7	Low	88.1	Confident	79 Å²	79	36.8 Å²	36.8	42%	0.422	21%	0.208	S	C	.	.	S	Bend	trans	54.5	34.7	-172.7	-160.3	18.3	0	0	0	111	D143	D143-D146 PolarHBondContact OD1-N 2.91Å; D143-D146 VanDerWaalsContact OD1-N 3.1Å; D143-D146 WeakPolarHBondContact OD2-CA 3.48Å; D143-D146 PolarHBondContact OD2-N 2.93Å
147	N	72.2	Confident	87.9	Confident	97 Å²	97	37 Å²	37	52%	0.519	21%	0.209	S	C	.	.	S	Bend	trans	-132	17.7	-174.3	73.2	-6.7	0	0	0	112	D143 G145 T149	D143-N147 PolarHBondContact OD1-N 2.86Å; D143-N147 PolarHBondContact OD1-OD1 3.1Å; D143-N147 PolarHBondContact OD2-N 2.82Å; G145-N147 PolarHBondContact O-N 3.27Å; N147-T149 PolarHBondContact O-N 2.91Å; N147-T149 WeakPolarHBondContact OD1-CB 3.36Å; N147-T149 PolarHBondContact OD1-N 2.86Å; N147-T149 VanDerWaalsContact OD1-N 3.12Å; N147-T149 PolarHBondContact OD1-OG1 3.45Å
148	S	75.4	Confident	87.7	Confident	111 Å²	111	38.8 Å²	38.8	78%	0.776	22%	0.219	S	C	*	.	S	Bend	trans	62.7	23.7	-178	-52.5	0	0	0	0	114.7	D143	D143-S148 VanDerWaalsContact OD2-CA 3.29Å; D143-S148 WeakPolarHBondContact OD2-CA 3.37Å; D143-S148 PolarHBondContact OD2-N 3.41Å
149	T	82	Confident	87.7	Confident	69 Å²	69	38.8 Å²	38.8	42%	0.423	22%	0.219	S	C	.	.			trans	-101.5	106.4	177	-51.9	0	0	0	0	110.3	D143 I144 N147	D143-T149 WeakPolarHBondContact CA-O 3.31Å; D143-T149 PolarHBondContact OD1-N 3.42Å; I144-T149 PolarHBondContact N-O 3.24Å; N147-T149 PolarHBondContact O-N 2.91Å; N147-T149 WeakPolarHBondContact OD1-CB 3.36Å; N147-T149 PolarHBondContact OD1-N 2.86Å; N147-T149 VanDerWaalsContact OD1-N 3.12Å; N147-T149 PolarHBondContact OD1-OG1 3.45Å
150	L	87.4	Confident	87.6	Confident	71 Å²	71	40.9 Å²	40.9	37%	0.372	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-65.7	147.9	176	-62.8	179.9	0	0	0	111.5	H44 W141	H44-L150 HydrophobicContact CB-CD1 4.31Å; W141-L150 WeakPolarHBondContact O-CB 3.29Å
151	A	90.2	Very high	87.7	Confident	3 Å²	3	41.1 Å²	41.1	3%	0.025	23%	0.233	C	C	.	.			trans	-72.3	128.7	171.1	0	0	0	0	0	110.3	W141 G142 I144 R153 Q155	W141-A151 PolarHBondContact O-N 3.24Å; W141-A151 VanDerWaalsContact O-N 3.15Å; G142-A151 PolarHBondContact O-N 2.75Å; I144-A151 HydrophobicContact CG2-CB 3.56Å; A151-R153 VanDerWaalsContact CB-O 3.32Å; A151-R153 WeakPolarHBondContact CB-O 3.37Å; A151-Q155 HydrophobicContact CB-CG 3.46Å; A151-Q155 VanDerWaalsContact CB-CG 3.46Å
152	N	92.8	Very high	87.6	Confident	62 Å²	62	41.8 Å²	41.8	33%	0.332	24%	0.236	S	C	.	.	S	Bend	trans	-69.9	-46.6	172	-171.2	13.7	0	0	0	111	T76 L77 E78	T76-N152 CarbonylContact C-O 3.45Å; T76-N152 WeakPolarHBondContact CA-O 3.47Å; L77-N152 PolarHBondContact N-O 2.73Å; L77-N152 PolarHBondContact N-OD1 2.69Å; E78-N152 WeakPolarHBondContact CG-OD1 3.44Å; E78-N152 PolarHBondContact N-OD1 3.31Å; E78-N152 VanDerWaalsContact N-OD1 3.1Å; E78-N152 PolarHBondContact OE2-ND2 2.75Å; E78-N152 VanDerWaalsContact OE2-ND2 3.13Å
153	R	95.4	Very high	87.9	Confident	126 Å²	126	43.3 Å²	43.3	48%	0.475	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-84.4	152.5	174	-86.6	-169.7	-99.6	-86.6	-0.1	111.8	D26 D75 T76 W141 A151 Q155	D26-R153 IonicContact OD2-NE 3.87Å; D26-R153 PolarHBondContact OD2-NE 3.22Å; D75-R153 CarbonylContact O-C 3.43Å; T76-R153 HydrophobicContact CG2-CG 3.61Å; W141-R153 VanDerWaalsContact CD1-C 3.5Å; A151-R153 VanDerWaalsContact CB-O 3.32Å; A151-R153 WeakPolarHBondContact CB-O 3.37Å; R153-Q155 WeakPolarHBondContact O-CG 3.49Å; R153-Q155 PolarHBondContact O-N 2.85Å; R153-Q155 PolarHBondContact O-NE2 3.43Å
154	L	97	Very high	88.5	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.016	27%	0.272	C	S	.	.			trans	-62.6	133.7	173.6	179.6	67.2	0	0	0	110	A27 R32 M35 D75 A139 W141	A27-L154 HydrophobicContact CB-CB 4.3Å; A27-L154 HydrophobicContact CB-CD2 3.97Å; A27-L154 HydrophobicContact CB-CG 3.98Å; A27-L154 PolarHBondContact N-O 3.31Å; R32-L154 HydrophobicContact CB-CD2 3.74Å; R32-L154 HydrophobicContact CG-CD2 3.96Å; M35-L154 HydrophobicContact CE-CD1 4Å; M35-L154 HydrophobicContact CG-CD1 4.26Å; M35-L154 HydrophobicContact CG-CD2 4.01Å; D75-L154 PolarHBondContact O-N 2.98Å; A139-L154 HydrophobicContact CB-CD1 4.4Å; W141-L154 HydrophobicContact CD2-CD1 3.83Å; W141-L154 HydrophobicContact CE3-CD1 3.98Å; W141-L154 HydrophobicContact CH2-CD1 3.86Å; W141-L154 HydrophobicContact CZ2-CB 3.88Å; W141-L154 HydrophobicContact CZ2-CD1 3.69Å; W141-L154 HydrophobicContact CZ2-CD2 4.44Å; W141-L154 HydrophobicContact CZ2-CG 4.19Å; W141-L154 HydrophobicContact CZ3-CD1 4Å; W141-L154 VanDerWaalsContact NE1-N 3.2Å
155	Q	95.7	Very high	89.5	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.019	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	155.7	180	-53.1	-52	-30.7	0	0	111.4	K20 I21 K25 D26 A139 G140 I144 A151 R153	K20-Q155 HydrophobicContact CB-CB 4.42Å; K20-Q155 HydrophobicContact CB-CG 3.88Å; K20-Q155 HydrophobicContact CG-CG 4.32Å; I21-Q155 HydrophobicContact CB-CB 3.61Å; I21-Q155 HydrophobicContact CB-CG 4.4Å; I21-Q155 HydrophobicContact CD1-CB 3.61Å; I21-Q155 HydrophobicContact CG1-CB 3.4Å; I21-Q155 VanDerWaalsContact CG1-CB 3.4Å; I21-Q155 HydrophobicContact CG1-CG 4.11Å; K25-Q155 WeakPolarHBondContact O-CA 3.48Å; K25-Q155 PolarHBondContact O-OE1 3.16Å; D26-Q155 VanDerWaalsContact N-OE1 3.12Å; D26-Q155 PolarHBondContact OD1-NE2 2.95Å; D26-Q155 PolarHBondContact OD1-OE1 3.23Å; A139-Q155 CarbonylContact C-O 3.44Å; A139-Q155 WeakPolarHBondContact CA-O 3.33Å; A139-Q155 VanDerWaalsContact CB-O 3.25Å; A139-Q155 WeakPolarHBondContact CB-O 3.29Å; G140-Q155 PolarHBondContact N-O 2.84Å; G140-Q155 PolarHBondContact O-N 3.38Å; I144-Q155 HydrophobicContact CG2-CG 4.49Å; A151-Q155 HydrophobicContact CB-CG 3.46Å; A151-Q155 VanDerWaalsContact CB-CG 3.46Å; R153-Q155 WeakPolarHBondContact O-CG 3.49Å; R153-Q155 PolarHBondContact O-N 2.85Å; R153-Q155 PolarHBondContact O-NE2 3.43Å
156	E	95.3	Very high	91	Very high	13 Å²	13	54.7 Å²	54.7	6%	0.061	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.8	173.2	66.5	177.7	-148.9	0	0	112.4	K25 A27 R32 I137 T138 A139	K25-E156 WeakPolarHBondContact CE-OE1 3.48Å; K25-E156 HydrophobicContact CG-CG 4.1Å; K25-E156 PolarHBondContact N-O 2.69Å; K25-E156 IonicContact NZ-OE1 3.89Å; K25-E156 PolarHBondContact NZ-OE1 2.72Å; K25-E156 PolarHBondContact O-N 2.94Å; A27-E156 HydrophobicContact CB-CB 4.44Å; A27-E156 HydrophobicContact CB-CG 4.25Å; R32-E156 IonicContact CZ-OE2 3.54Å; R32-E156 IonicContact NE-OE2 3.21Å; R32-E156 PolarHBondContact NE-OE2 2.99Å; R32-E156 VanDerWaalsContact NE-OE2 3.12Å; R32-E156 IonicContact NH1-OE2 3.87Å; R32-E156 IonicContact NH2-OE1 3.48Å; R32-E156 IonicContact NH2-OE2 2.77Å; R32-E156 PolarHBondContact NH2-OE2 2.85Å; I137-E156 HydrophobicContact CG2-CB 4.12Å; T138-E156 CarbonylContact O-C 3.49Å; T138-E156 VanDerWaalsContact O-CA 3.32Å; T138-E156 WeakPolarHBondContact O-CA 3.49Å; A139-E156 HydrophobicContact CB-CB 4.3Å
157	V	93.1	Very high	92.4	Very high	5 Å²	5	51 Å²	51	3%	0.03	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	136.9	178.6	67.3	0	0	0	0	111.2	I21 I137 T138 V159 Q190	I21-V157 HydrophobicContact CG2-CB 3.86Å; I21-V157 HydrophobicContact CG2-CG1 3.56Å; I137-V157 WeakPolarHBondContact CA-O 3.03Å; T138-V157 PolarHBondContact N-O 2.75Å; T138-V157 PolarHBondContact O-N 2.8Å; V157-V159 HydrophobicContact CG1-CG1 4.14Å; V157-Q190 VanDerWaalsContact CG2-CD 3.45Å; V157-Q190 HydrophobicContact CG2-CG 3.23Å
158	N	94	Very high	93.6	Very high	81 Å²	81	49.4 Å²	49.4	43%	0.433	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	131.9	171.9	-69.7	-39.4	0	0	0	109.4	C136 I137	C136-N158 WeakPolarHBondContact O-CA 2.98Å; I137-N158 WeakPolarHBondContact CG1-OD1 3.49Å
159	V	95.8	Very high	94.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	155.2	178.8	-61.6	0	0	0	0	110.4	C136 V157 S183 M184 L201	C136-V159 HydrophobicContact CB-CG2 4.11Å; C136-V159 PolarHBondContact N-O 3.1Å; C136-V159 PolarHBondContact O-N 2.78Å; V157-V159 HydrophobicContact CG1-CG1 4.14Å; V159-S183 WeakPolarHBondContact CB-OG 3.16Å; V159-M184 CarbonylContact C-O 3.49Å; V159-M184 WeakPolarHBondContact CA-O 3.48Å; V159-L201 HydrophobicContact CG2-CD1 3.53Å
160	T	96.3	Very high	95.3	Very high	45 Å²	45	52 Å²	52	28%	0.276	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133	178.9	-57.9	0	0	0	0	110.6	S134 M162 S183 M184	S134-T160 WeakPolarHBondContact O-CA 3.39Å; T160-M162 PolarHBondContact O-N 3.4Å; T160-S183 CarbonylContact O-C 3.49Å; T160-S183 VanDerWaalsContact O-CA 3.24Å; T160-S183 WeakPolarHBondContact O-CA 3.01Å; T160-S183 WeakPolarHBondContact O-CB 2.72Å; T160-M184 PolarHBondContact N-O 2.88Å; T160-M184 PolarHBondContact O-N 3.48Å
161	I	97.7	Very high	95.7	Very high	6 Å²	6	49.9 Å²	49.9	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	129.8	179.6	-58.5	-55	0	0	0	111.5	L130 R131 G133 S134 V181 L201	L130-I161 HydrophobicContact CB-CG2 4.46Å; L130-I161 HydrophobicContact CD1-CD1 4.29Å; R131-I161 WeakPolarHBondContact O-CB 3.43Å; G133-I161 PolarHBondContact N-O 3.01Å; S134-I161 PolarHBondContact O-N 2.88Å; I161-V181 HydrophobicContact CD1-CG2 3.98Å; I161-V181 HydrophobicContact CG2-CG2 3.8Å; I161-L201 HydrophobicContact CD1-CD2 3.84Å
162	M	95.8	Very high	96	Very high	14 Å²	14	59.6 Å²	59.6	7%	0.069	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-91.7	153.1	177.8	-168.4	173.5	-63.6	0	0	111.8	T160 T166 C167 R170 C182 M184 P224	T160-M162 PolarHBondContact O-N 3.4Å; M162-T166 HydrophobicContact CG-CG2 3.96Å; M162-T166 HydrophobicContact SD-CG2 3.63Å; M162-C167 HydrophobicContact CG-CB 4.46Å; M162-C167 HydrophobicContact SD-CB 4.08Å; M162-R170 VanDerWaalsContact CE-NH1 3.34Å; M162-C182 HydrophobicContact CB-CB 4.32Å; M162-C182 PolarHBondContact N-O 2.86Å; M162-M184 HydrophobicContact CE-CB 3.95Å; M162-M184 HydrophobicContact CE-CG 3.94Å; M162-M184 HydrophobicContact CE-SD 3.91Å; M162-P224 HydrophobicContact CE-CB 3.8Å; M162-P224 HydrophobicContact CE-CG 3.64Å; M162-P224 HydrophobicContact SD-CB 4.14Å; M162-P224 HydrophobicContact SD-CG 3.74Å
163	S	96.8	Very high	96	Very high	33 Å²	33	65.6 Å²	65.6	23%	0.231	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-69.3	141.9	171.2	73.5	0	0	0	0	111	T132 R165 T166 C167	T132-S163 WeakPolarHBondContact OG1-CA 3.34Å; T132-S163 WeakPolarHBondContact OG1-CB 3.26Å; S163-R165 PolarHBondContact O-N 2.97Å; S163-T166 PolarHBondContact O-N 2.87Å; S163-T166 VanDerWaalsContact O-N 3.08Å; S163-T166 WeakPolarHBondContact OG-CB 3.47Å; S163-T166 PolarHBondContact OG-N 2.94Å; S163-T166 PolarHBondContact OG-OG1 2.94Å; S163-T166 VanDerWaalsContact OG-OG1 3.1Å; S163-C167 PolarHBondContact O-N 3.11Å
164	P	95.8	Very high	96	Very high	85 Å²	85	61.9 Å²	61.9	55%	0.552	28%	0.283	S	S	*	.	H	α-helix	trans	-54.9	-39.5	179.1	-28.5	35.1	0	0	0	113.1	T166 C167 Q168	P164-T166 PolarHBondContact O-N 2.88Å; P164-C167 PolarHBondContact O-N 3.06Å; P164-Q168 WeakPolarHBondContact O-CB 3.3Å; P164-Q168 PolarHBondContact O-N 2.85Å
165	R	97.1	Very high	95.9	Very high	211 Å²	211	65.6 Å²	65.6	80%	0.796	31%	0.307	S	S	*	.	H	α-helix	trans	-63.6	-41.4	178.3	-173.5	179.2	-179.4	-171.5	0.9	112.5	S163 R169	S163-R165 PolarHBondContact O-N 2.97Å; R165-R169 WeakPolarHBondContact O-CB 3.41Å; R165-R169 PolarHBondContact O-N 2.85Å; R165-R169 VanDerWaalsContact O-N 3.12Å
166	T	97.2	Very high	96	Very high	31 Å²	31	66.6 Å²	66.6	19%	0.19	31%	0.312	C	S	.	.	H	α-helix	trans	-70.8	-39.6	177	-65.8	0	0	0	0	110.7	M162 S163 P164 R169 R170	M162-T166 HydrophobicContact CG-CG2 3.96Å; M162-T166 HydrophobicContact SD-CG2 3.63Å; S163-T166 PolarHBondContact O-N 2.87Å; S163-T166 VanDerWaalsContact O-N 3.08Å; S163-T166 WeakPolarHBondContact OG-CB 3.47Å; S163-T166 PolarHBondContact OG-N 2.94Å; S163-T166 PolarHBondContact OG-OG1 2.94Å; S163-T166 VanDerWaalsContact OG-OG1 3.1Å; P164-T166 PolarHBondContact O-N 2.88Å; T166-R169 PolarHBondContact O-N 2.86Å; T166-R170 WeakPolarHBondContact O-CG 3.36Å; T166-R170 PolarHBondContact O-N 3.32Å; T166-R170 VanDerWaalsContact O-N 3.07Å
167	C	96.9	Very high	96	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.3	-52.1	176.6	-173.2	0	0	0	0	111.6	M162 S163 P164 R169 R170 W171 C182	M162-C167 HydrophobicContact CG-CB 4.46Å; M162-C167 HydrophobicContact SD-CB 4.08Å; S163-C167 PolarHBondContact O-N 3.11Å; P164-C167 PolarHBondContact O-N 3.06Å; C167-R169 VanDerWaalsContact C-N 3.29Å; C167-R169 PolarHBondContact O-N 3.3Å; C167-R170 PolarHBondContact O-N 2.71Å; C167-W171 PolarHBondContact O-N 2.91Å; C167-C182 HydrophobicContact CB-CB 3.59Å; C167-C182 WeakPolarHBondContact CB-SG 3.45Å; C167-C182 WeakPolarHBondContact SG-CB 3.25Å; C167-C182 CovalentContact SG-SG 2Å; C167-C182 PolarHBondContact SG-SG 3.2Å
168	Q	97.6	Very high	96.1	Very high	65 Å²	65	78.2 Å²	78.2	30%	0.304	36%	0.362	S	S	.	.	H	α-helix	trans	-55.5	-43.6	176.1	-177.9	61.6	62	0	0	112	P164 R170 W171 R172 V174	P164-Q168 WeakPolarHBondContact O-CB 3.3Å; P164-Q168 PolarHBondContact O-N 2.85Å; Q168-R170 VanDerWaalsContact C-N 3.28Å; Q168-R170 PolarHBondContact O-N 3.22Å; Q168-W171 PolarHBondContact O-N 2.82Å; Q168-R172 PolarHBondContact NE2-O 3.43Å; Q168-R172 VanDerWaalsContact NE2-O 3.12Å; Q168-R172 PolarHBondContact O-N 3.31Å; Q168-V174 PolarHBondContact NE2-O 2.88Å
169	R	97.6	Very high	96.2	Very high	154 Å²	154	76 Å²	76	58%	0.581	35%	0.352	S	S	*	.	H	α-helix	trans	-61.1	-37.3	178.4	-176.4	177.3	66.7	-113.5	2.5	112.4	R165 T166 C167	R165-R169 WeakPolarHBondContact O-CB 3.41Å; R165-R169 PolarHBondContact O-N 2.85Å; R165-R169 VanDerWaalsContact O-N 3.12Å; T166-R169 PolarHBondContact O-N 2.86Å; C167-R169 VanDerWaalsContact C-N 3.29Å; C167-R169 PolarHBondContact O-N 3.3Å
170	R	96.4	Very high	96.3	Very high	79 Å²	79	76.6 Å²	76.6	30%	0.298	36%	0.355	S	S	.	.	H	α-helix	trans	-72.9	-38.3	179.3	-75.4	-175.2	176.3	-171.1	10	111.9	M162 T166 C167 Q168 R172 L221 R222 P224	M162-R170 VanDerWaalsContact CE-NH1 3.34Å; T166-R170 WeakPolarHBondContact O-CG 3.36Å; T166-R170 PolarHBondContact O-N 3.32Å; T166-R170 VanDerWaalsContact O-N 3.07Å; C167-R170 PolarHBondContact O-N 2.71Å; Q168-R170 VanDerWaalsContact C-N 3.28Å; Q168-R170 PolarHBondContact O-N 3.22Å; R170-R172 VanDerWaalsContact C-N 3.27Å; R170-R172 PolarHBondContact O-N 2.91Å; R170-L221 VanDerWaalsContact CD-O 3.28Å; R170-L221 WeakPolarHBondContact CD-O 3.32Å; R170-L221 PolarHBondContact NH1-O 3.28Å; R170-R222 WeakPolarHBondContact CB-O 3.1Å; R170-P224 HydrophobicContact CB-CG 3.91Å; R170-P224 HydrophobicContact CG-CG 4.28Å
171	W	95.6	Very high	96.4	Very high	27 Å²	27	75.1 Å²	75.1	10%	0.102	35%	0.346	C	S	.	.	H	α-helix	trans	-76.8	-8.6	175.6	-81.7	104.9	0	0	0	115	C167 Q168 E173 V174 I176 F213 T223 P224 V226	C167-W171 PolarHBondContact O-N 2.91Å; Q168-W171 PolarHBondContact O-N 2.82Å; W171-E173 PolarHBondContact O-N 3.09Å; W171-V174 HydrophobicContact CB-CB 4.22Å; W171-V174 HydrophobicContact CE3-CB 3.84Å; W171-V174 HydrophobicContact CE3-CG1 4.01Å; W171-V174 HydrophobicContact CE3-CG2 3.97Å; W171-V174 HydrophobicContact CZ3-CG2 4.44Å; W171-V174 PolarHBondContact O-N 3Å; W171-I176 HydrophobicContact CB-CD1 4.05Å; W171-I176 HydrophobicContact CB-CG1 3.94Å; W171-I176 HydrophobicContact CD2-CD1 4.32Å; W171-I176 HydrophobicContact CG-CD1 3.72Å; W171-I176 HydrophobicContact CG-CG1 4.05Å; W171-F213 HydrophobicContact CD2-CE2 4.42Å; W171-F213 HydrophobicContact CE3-CE2 4.46Å; W171-F213 AromaticContact CH2-CD2 3.71Å; W171-F213 HydrophobicContact CH2-CD2 3.71Å; W171-F213 AromaticContact CH2-CE2 3.72Å; W171-F213 HydrophobicContact CH2-CE2 3.72Å; W171-F213 AromaticContact CZ2-CD2 3.9Å; W171-F213 HydrophobicContact CZ2-CD2 3.9Å; W171-F213 AromaticContact CZ2-CE2 3.71Å; W171-F213 HydrophobicContact CZ2-CE2 3.71Å; W171-F213 HydrophobicContact CZ3-CD2 4.4Å; W171-F213 HydrophobicContact CZ3-CE2 4.12Å; W171-T223 HydrophobicContact CE3-CG2 4.48Å; W171-T223 HydrophobicContact CH2-CG2 4.48Å; W171-T223 HydrophobicContact CZ3-CG2 4.32Å; W171-P224 WeakPolarHBondContact CZ2-O 3.46Å; W171-P224 PolarHBondContact NE1-O 2.86Å; W171-V226 HydrophobicContact CZ2-CG2 3.81Å; W171-V226 VanDerWaalsContact NE1-CG2 3.3Å
172	R	95.7	Very high	96.4	Very high	207 Å²	207	75 Å²	75	78%	0.781	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	-108.1	174.8	-59.7	173.9	179.1	-95.3	1.1	111.2	Q168 R170	Q168-R172 PolarHBondContact NE2-O 3.43Å; Q168-R172 VanDerWaalsContact NE2-O 3.12Å; Q168-R172 PolarHBondContact O-N 3.31Å; R170-R172 VanDerWaalsContact C-N 3.27Å; R170-R172 PolarHBondContact O-N 2.91Å
173	E	93.9	Very high	96.4	Very high	188 Å²	188	74.4 Å²	74.4	88%	0.879	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-18.8	-175.8	-63.9	178.5	-178.5	0	0	112.6	W171 P175	W171-E173 PolarHBondContact O-N 3.09Å; E173-P175 WeakPolarHBondContact O-CD 3.07Å
174	V	94.8	Very high	96.2	Very high	48 Å²	48	75.9 Å²	75.9	29%	0.291	35%	0.346	S	S	.	.	S	Bend	trans	-71.5	118.2	175.7	-179	0	0	0	0	108.8	Q168 W171 I176 F213	Q168-V174 PolarHBondContact NE2-O 2.88Å; W171-V174 HydrophobicContact CB-CB 4.22Å; W171-V174 HydrophobicContact CE3-CB 3.84Å; W171-V174 HydrophobicContact CE3-CG1 4.01Å; W171-V174 HydrophobicContact CE3-CG2 3.97Å; W171-V174 HydrophobicContact CZ3-CG2 4.44Å; W171-V174 PolarHBondContact O-N 3Å; V174-I176 PolarHBondContact O-N 3.32Å; V174-F213 HydrophobicContact CG1-CE2 4.48Å
175	P	95.1	Very high	95.8	Very high	82 Å²	82	71.9 Å²	71.9	53%	0.532	32%	0.321	S	S	.	.			trans	-69.7	131.2	-178.1	-20	34.1	0	0	0	111.9	E173	E173-P175 WeakPolarHBondContact O-CD 3.07Å
176	I	96.9	Very high	94.8	Very high	24 Å²	24	66.1 Å²	66.1	12%	0.123	31%	0.313	C	S	.	.			trans	-105.3	101.9	172	-57.2	-59.2	0	0	0	108.3	W171 V174 M180 F213 V226	W171-I176 HydrophobicContact CB-CD1 4.05Å; W171-I176 HydrophobicContact CB-CG1 3.94Å; W171-I176 HydrophobicContact CD2-CD1 4.32Å; W171-I176 HydrophobicContact CG-CD1 3.72Å; W171-I176 HydrophobicContact CG-CG1 4.05Å; V174-I176 PolarHBondContact O-N 3.32Å; I176-M180 HydrophobicContact CB-SD 4.48Å; I176-M180 HydrophobicContact CD1-SD 4.3Å; I176-M180 HydrophobicContact CG2-CB 4.16Å; I176-M180 HydrophobicContact CG2-SD 4.07Å; I176-F213 HydrophobicContact CD1-CZ 4.08Å; I176-V226 HydrophobicContact CD1-CG1 4.48Å; I176-V226 HydrophobicContact CD1-CG2 3.99Å
177	A	95.9	Very high	93.7	Very high	34 Å²	34	73.4 Å²	73.4	28%	0.281	34%	0.337	S	S	.	.			trans	-66.3	157.6	-177	0	0	0	0	0	112.1	T179 M180	A177-T179 PolarHBondContact O-N 2.73Å; A177-T179 VanDerWaalsContact O-N 3.16Å; A177-M180 HydrophobicContact CB-CE 3.88Å; A177-M180 HydrophobicContact CB-CG 4.31Å; A177-M180 HydrophobicContact CB-SD 4.14Å; A177-M180 PolarHBondContact N-SD 3.48Å; A177-M180 WeakPolarHBondContact O-CB 3.17Å; A177-M180 PolarHBondContact O-N 2.84Å
178	R	95.1	Very high	92.5	Very high	228 Å²	228	80 Å²	80	86%	0.86	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.6	174.8	-69.3	-175.3	178.6	-171.8	1.4	112.8	M180 R229	R178-M180 PolarHBondContact O-N 3.28Å; R178-R229 PolarHBondContact O-NH1 2.61Å; R178-R229 PolarHBondContact O-NH2 3.43Å
179	T	96.8	Very high	91.7	Very high	34 Å²	34	79.1 Å²	79.1	21%	0.209	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	4.8	176	51	0	0	0	0	113	A177 R229 F233	A177-T179 PolarHBondContact O-N 2.73Å; A177-T179 VanDerWaalsContact O-N 3.16Å; T179-R229 VanDerWaalsContact O-CB 3.25Å; T179-R229 WeakPolarHBondContact O-CB 3.49Å; T179-R229 PolarHBondContact O-N 3.28Å; T179-F233 HydrophobicContact CG2-CE2 4.21Å; T179-F233 HydrophobicContact CG2-CZ 3.98Å
180	M	97.8	Very high	91	Very high	14 Å²	14	72.7 Å²	72.7	7%	0.069	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	161.8	176.1	-62.1	166.5	-172.8	0	0	112.3	L101 A102 I176 A177 R178 F213 V226 Y227	L101-M180 WeakPolarHBondContact O-CE 3.38Å; A102-M180 HydrophobicContact CB-CE 4.31Å; I176-M180 HydrophobicContact CB-SD 4.48Å; I176-M180 HydrophobicContact CD1-SD 4.3Å; I176-M180 HydrophobicContact CG2-CB 4.16Å; I176-M180 HydrophobicContact CG2-SD 4.07Å; A177-M180 HydrophobicContact CB-CE 3.88Å; A177-M180 HydrophobicContact CB-CG 4.31Å; A177-M180 HydrophobicContact CB-SD 4.14Å; A177-M180 PolarHBondContact N-SD 3.48Å; A177-M180 WeakPolarHBondContact O-CB 3.17Å; A177-M180 PolarHBondContact O-N 2.84Å; R178-M180 PolarHBondContact O-N 3.28Å; M180-F213 HydrophobicContact CE-CE1 4.18Å; M180-F213 HydrophobicContact SD-CE1 4.34Å; M180-F213 HydrophobicContact SD-CZ 4.42Å; M180-V226 HydrophobicContact CB-CG1 3.95Å; M180-V226 HydrophobicContact CG-CG1 4.01Å; M180-V226 HydrophobicContact SD-CG1 3.77Å; M180-Y227 CarbonylContact C-O 3.59Å; M180-Y227 VanDerWaalsContact CA-O 3.29Å; M180-Y227 WeakPolarHBondContact CA-O 3.36Å
181	V	97.6	Very high	90.6	Very high	14 Å²	14	68.9 Å²	68.9	9%	0.085	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	142.8	167.8	61.7	0	0	0	0	108.9	L130 I161 L201 Y227 R229	L130-V181 HydrophobicContact CD1-CB 4.34Å; L130-V181 HydrophobicContact CD1-CG1 4.16Å; L130-V181 HydrophobicContact CD1-CG2 3.91Å; I161-V181 HydrophobicContact CD1-CG2 3.98Å; I161-V181 HydrophobicContact CG2-CG2 3.8Å; V181-L201 HydrophobicContact CG1-CD2 3.87Å; V181-Y227 PolarHBondContact N-O 3.16Å; V181-Y227 PolarHBondContact O-N 3.27Å; V181-R229 HydrophobicContact CB-CB 4.38Å; V181-R229 HydrophobicContact CG1-CB 4.26Å
182	C	97.5	Very high	90.3	Very high	4 Å²	4	67.8 Å²	67.8	3%	0.027	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	152.8	177.8	-41.9	0	0	0	0	110.8	M162 C167 P224 D225	M162-C182 HydrophobicContact CB-CB 4.32Å; M162-C182 PolarHBondContact N-O 2.86Å; C167-C182 HydrophobicContact CB-CB 3.59Å; C167-C182 WeakPolarHBondContact CB-SG 3.45Å; C167-C182 WeakPolarHBondContact SG-CB 3.25Å; C167-C182 CovalentContact SG-SG 2Å; C167-C182 PolarHBondContact SG-SG 3.2Å; C182-P224 HydrophobicContact CB-CB 4.37Å; C182-D225 CarbonylContact C-O 3.6Å; C182-D225 WeakPolarHBondContact CA-O 3.43Å; C182-D225 WeakPolarHBondContact CB-O 3.5Å
183	S	96.1	Very high	90.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	171.7	175.9	87.9	0	0	0	0	111.7	V159 T160 P224 D225 Y227	V159-S183 WeakPolarHBondContact CB-OG 3.16Å; T160-S183 CarbonylContact O-C 3.49Å; T160-S183 VanDerWaalsContact O-CA 3.24Å; T160-S183 WeakPolarHBondContact O-CA 3.01Å; T160-S183 WeakPolarHBondContact O-CB 2.72Å; S183-P224 WeakPolarHBondContact O-CB 3.15Å; S183-D225 PolarHBondContact N-O 2.79Å; S183-Y227 WeakPolarHBondContact OG-CE2 3.12Å; S183-Y227 PolarHBondContact OG-OH 2.6Å
184	M	92.8	Very high	89.8	Confident	64 Å²	64	53 Å²	53	32%	0.315	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	143.3	167.9	49.5	174.8	-85.2	0	0	109.5	V159 T160 M162 L221	V159-M184 CarbonylContact C-O 3.49Å; V159-M184 WeakPolarHBondContact CA-O 3.48Å; T160-M184 PolarHBondContact N-O 2.88Å; T160-M184 PolarHBondContact O-N 3.48Å; M162-M184 HydrophobicContact CE-CB 3.95Å; M162-M184 HydrophobicContact CE-CG 3.94Å; M162-M184 HydrophobicContact CE-SD 3.91Å; M184-L221 HydrophobicContact CB-CD2 3.68Å; M184-L221 HydrophobicContact CE-CD2 4.41Å
185	G	86.4	Confident	89.6	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	163	166.1	0	0	0	0	0	112.7	R187 Q190	G185-R187 VanDerWaalsContact C-N 3.33Å; G185-Q190 WeakPolarHBondContact CA-O 3.46Å; G185-Q190 PolarHBondContact N-O 3.31Å
186	S	76.1	Confident	89.7	Confident	91 Å²	91	47.3 Å²	47.3	64%	0.636	24%	0.243	S	C	*	.	S	Bend	trans	-77	-18.2	178.5	-59.9	0	0	0	0	113.3
187	R	75.5	Confident	89.7	Confident	183 Å²	183	47 Å²	47	69%	0.691	24%	0.243	S	C	*	.	S	Bend	trans	-113.8	162.8	178.4	-65.6	-177.9	178	179.4	-0.2	111	G185 I189 Q190	G185-R187 VanDerWaalsContact C-N 3.33Å; R187-I189 PolarHBondContact O-N 2Å; R187-Q190 HydrophobicContact CB-CB 4.39Å
188	N	71.3	Confident	89.9	Confident	140 Å²	140	45.5 Å²	45.5	75%	0.749	23%	0.23	S	C	*	.	S	Bend	trans	-61.5	127	167.9	-74.4	-21.9	0	0	0	108.7
189	I	79.9	Confident	90	Very high	46 Å²	46	34.6 Å²	34.6	24%	0.236	19%	0.189	C	C	.	.	S	Bend	trans	64.2	72.3	-179	-49.9	-57.2	0	0	0	110.5	V22 R187 G219 D220	V22-I189 HydrophobicContact CG1-CG2 3.36Å; R187-I189 PolarHBondContact O-N 2Å; I189-G219 VanDerWaalsContact CA-O 3.26Å; I189-G219 WeakPolarHBondContact CA-O 3.47Å; I189-D220 HydrophobicContact CD1-CB 4.2Å
190	Q	83.2	Confident	90.1	Very high	18 Å²	18	33 Å²	33	8%	0.084	18%	0.179	C	C	.	.			trans	-146	123.1	177.1	-177.4	179.9	58.4	0	0	112.1	V22 G23 V157 G185 R187 G219	V22-Q190 WeakPolarHBondContact O-CA 3.31Å; G23-Q190 PolarHBondContact O-NE2 2.86Å; V157-Q190 VanDerWaalsContact CG2-CD 3.45Å; V157-Q190 HydrophobicContact CG2-CG 3.23Å; G185-Q190 WeakPolarHBondContact CA-O 3.46Å; G185-Q190 PolarHBondContact N-O 3.31Å; R187-Q190 HydrophobicContact CB-CB 4.39Å; Q190-G219 PolarHBondContact N-O 3.11Å
191	G	87.6	Confident	90.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	169.1	-169.9	-171.2	0	0	0	0	0	113.6	I21 V22 D225	I21-G191 WeakPolarHBondContact CG2-O 3.36Å; V22-G191 PolarHBondContact O-N 3.42Å; V22-G191 VanDerWaalsContact O-N 3.16Å; G191-D225 WeakPolarHBondContact CA-OD2 3.32Å
192	F	90.3	Very high	90.2	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.018	18%	0.176	C	C	.	.			trans	-84.9	166.7	173.4	66.4	-112.4	0	0	0	112.4	T138 D196 V211 F213 D225 V226 Y227	T138-F192 HydrophobicContact CG2-CB 4.16Å; F192-D196 WeakPolarHBondContact CA-OD2 3.09Å; F192-D196 HydrophobicContact CB-CB 3.81Å; F192-V211 HydrophobicContact CB-CG1 4.24Å; F192-V211 HydrophobicContact CD1-CB 4.41Å; F192-V211 HydrophobicContact CD1-CG1 3.71Å; F192-V211 HydrophobicContact CD1-CG2 3.96Å; F192-V211 HydrophobicContact CD2-CG1 3.48Å; F192-V211 VanDerWaalsContact CD2-CG1 3.48Å; F192-V211 HydrophobicContact CE1-CB 4.44Å; F192-V211 HydrophobicContact CE1-CG1 3.77Å; F192-V211 HydrophobicContact CE1-CG2 4.35Å; F192-V211 HydrophobicContact CE2-CG1 3.6Å; F192-V211 HydrophobicContact CG-CG1 3.56Å; F192-V211 HydrophobicContact CG-CG2 4.29Å; F192-V211 HydrophobicContact CZ-CG1 3.73Å; F192-F213 VanDerWaalsContact CZ-O 3.3Å; F192-F213 WeakPolarHBondContact CZ-O 3.42Å; F192-D225 HydrophobicContact CD1-CB 3.83Å; F192-D225 WeakPolarHBondContact CD1-OD2 3.47Å; F192-D225 HydrophobicContact CE1-CB 3.41Å; F192-D225 VanDerWaalsContact CE1-CB 3.41Å; F192-D225 HydrophobicContact CZ-CB 3.94Å; F192-D225 PolarHBondContact N-OD2 2.89Å; F192-V226 WeakPolarHBondContact CZ-O 3.17Å; F192-Y227 AromaticContact CD1-CE1 3.76Å; F192-Y227 HydrophobicContact CD1-CE1 3.76Å; F192-Y227 HydrophobicContact CD1-CE2 4.19Å; F192-Y227 AromaticContact CD1-CZ 3.53Å; F192-Y227 WeakPolarHBondContact CD1-OH 3.42Å; F192-Y227 HydrophobicContact CE1-CD1 4.18Å; F192-Y227 HydrophobicContact CE1-CD2 4.23Å; F192-Y227 AromaticContact CE1-CE1 3.75Å; F192-Y227 HydrophobicContact CE1-CE1 3.75Å; F192-Y227 AromaticContact CE1-CE2 3.75Å; F192-Y227 HydrophobicContact CE1-CE2 3.75Å; F192-Y227 HydrophobicContact CE1-CG 4.43Å; F192-Y227 AromaticContact CE1-CZ 3.51Å
193	C	90.7	Very high	90.2	Very high	4 Å²	4	32.3 Å²	32.3	3%	0.027	18%	0.175	C	C	.	.			trans	-144.7	-171.6	176.2	-154.2	0	0	0	0	113.1	V22 D143 G195 D196 C218	V22-C193 HydrophobicContact CG2-CB 4.11Å; D143-C193 HydrophobicContact CB-CB 4.06Å; D143-C193 WeakPolarHBondContact O-CB 3.04Å; C193-G195 PolarHBondContact O-N 3.2Å; C193-D196 PolarHBondContact N-OD2 3.1Å; C193-D196 WeakPolarHBondContact O-CB 3.39Å; C193-D196 PolarHBondContact O-N 2.98Å; C193-C218 WeakPolarHBondContact CA-SG 3.45Å; C193-C218 HydrophobicContact CB-CB 3.59Å; C193-C218 WeakPolarHBondContact CB-SG 3.34Å; C193-C218 WeakPolarHBondContact SG-CB 3.49Å; C193-C218 CovalentContact SG-SG 2.03Å; C193-C218 PolarHBondContact SG-SG 2.91Å
194	S	88.7	Confident	90.1	Very high	79 Å²	79	38.2 Å²	38.2	55%	0.552	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.1	126.9	177.4	-61.3	0	0	0	0	111.6	G142 D143	G142-S194 CarbonylContact C-O 3.52Å; G142-S194 WeakPolarHBondContact CA-O 3.45Å; D143-S194 PolarHBondContact N-O 3.19Å
195	G	91.4	Very high	90.3	Very high	12 Å²	12	37.9 Å²	37.9	12%	0.124	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.7	-21.3	-175.7	0	0	0	0	0	114.5	H44 C46 G47 C193 S197	H44-G195 PolarHBondContact NE2-O 3.47Å; H44-G195 VanDerWaalsContact NE2-O 3.12Å; C46-G195 WeakPolarHBondContact CA-O 3.37Å; G47-G195 PolarHBondContact N-O 2.93Å; C193-G195 PolarHBondContact O-N 3.2Å; G195-S197 VanDerWaalsContact C-N 3.26Å; G195-S197 PolarHBondContact O-N 3.31Å
196	D	96.7	Very high	90.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.223	C	C	.	.			trans	-78.2	-13.3	173	-65.9	-42	0	0	0	112.9	I21 G140 W141 G142 F192 C193 G198 G199 V211	I21-D196 WeakPolarHBondContact CD1-OD1 3.36Å; G140-D196 VanDerWaalsContact CA-OD1 3.26Å; G140-D196 WeakPolarHBondContact CA-OD1 3.43Å; W141-D196 PolarHBondContact N-OD1 3.12Å; G142-D196 VanDerWaalsContact CA-OD1 3.29Å; G142-D196 WeakPolarHBondContact CA-OD1 3.5Å; G142-D196 PolarHBondContact N-OD1 3.3Å; F192-D196 WeakPolarHBondContact CA-OD2 3.09Å; F192-D196 HydrophobicContact CB-CB 3.81Å; C193-D196 PolarHBondContact N-OD2 3.1Å; C193-D196 WeakPolarHBondContact O-CB 3.39Å; C193-D196 PolarHBondContact O-N 2.98Å; D196-G198 PolarHBondContact O-N 2.94Å; D196-G199 WeakPolarHBondContact O-CA 3.3Å; D196-G199 PolarHBondContact O-N 3.01Å; D196-V211 HydrophobicContact CB-CG1 4.28Å; D196-V211 WeakPolarHBondContact O-CB 3.37Å
197	S	97.3	Very high	91.9	Very high	18 Å²	18	33.9 Å²	33.9	13%	0.126	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.4	133.8	176	-72.7	0	0	0	0	113	C46 G47 H61 G195 G199	C46-S197 CarbonylContact C-O 3.54Å; C46-S197 WeakPolarHBondContact CB-O 3.42Å; G47-S197 WeakPolarHBondContact CA-O 3.33Å; G47-S197 PolarHBondContact N-O 3.08Å; H61-S197 VanDerWaalsContact CE1-CB 3.47Å; H61-S197 WeakPolarHBondContact CE1-CB 3.27Å; H61-S197 PolarHBondContact CE1-OG 3.05Å; H61-S197 VanDerWaalsContact CE1-OG 3.28Å; H61-S197 WeakPolarHBondContact NE2-CB 3.5Å; H61-S197 PolarHBondContact NE2-OG 2.81Å; G195-S197 VanDerWaalsContact C-N 3.26Å; G195-S197 PolarHBondContact O-N 3.31Å; S197-G199 PolarHBondContact O-N 2.87Å
198	G	98.3	Very high	92.9	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.01	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	-15.3	-175	0	0	0	0	0	115.1	G47 G48 T58 A59 D196 V211	G47-G198 CarbonylContact O-C 3.55Å; G48-G198 WeakPolarHBondContact CA-O 3.23Å; T58-G198 WeakPolarHBondContact OG1-CA 3.45Å; A59-G198 VanDerWaalsContact N-CA 3.26Å; D196-G198 PolarHBondContact O-N 2.94Å; G198-V211 PolarHBondContact N-O 3.14Å
199	G	98.4	Very high	94.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	13%	0.125	C	C	.	.			trans	-63.1	166.7	171.9	0	0	0	0	0	112.9	D196 S197 V210 V211	D196-G199 WeakPolarHBondContact O-CA 3.3Å; D196-G199 PolarHBondContact O-N 3.01Å; S197-G199 PolarHBondContact O-N 2.87Å; G199-V210 WeakPolarHBondContact O-CA 3.29Å; G199-V211 WeakPolarHBondContact O-CG2 3.47Å; G199-V211 PolarHBondContact O-N 2.9Å
200	P	98.4	Very high	95.1	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	149.7	-172.2	33.6	-33.8	0	0	0	113.6	Y34 M35 V49 T138 V202	Y34-P200 HydrophobicContact CE2-CG 4.06Å; M35-P200 WeakPolarHBondContact SD-CD 3.42Å; M35-P200 HydrophobicContact SD-CG 3.6Å; V49-P200 HydrophobicContact CG1-CB 3.48Å; V49-P200 VanDerWaalsContact CG1-CB 3.48Å; V49-P200 HydrophobicContact CG1-CG 3.44Å; V49-P200 VanDerWaalsContact CG1-CG 3.44Å; T138-P200 WeakPolarHBondContact CA-O 3.16Å; P200-V202 HydrophobicContact CB-CG2 3.73Å; P200-V202 HydrophobicContact CG-CG2 3.96Å
201	L	98.4	Very high	95.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	110.5	149.7	178.8	68	0	0	0	108.4	C136 I137 V159 I161 V181 A208 G209 Y227	C136-L201 HydrophobicContact CB-CD1 3.59Å; C136-L201 HydrophobicContact CB-CG 4.19Å; I137-L201 CarbonylContact O-C 3.54Å; V159-L201 HydrophobicContact CG2-CD1 3.53Å; I161-L201 HydrophobicContact CD1-CD2 3.84Å; V181-L201 HydrophobicContact CG1-CD2 3.87Å; L201-A208 PolarHBondContact O-N 3.47Å; L201-G209 PolarHBondContact N-O 3.04Å; L201-G209 PolarHBondContact O-N 3.13Å; L201-Y227 HydrophobicContact CB-CD1 3.59Å; L201-Y227 HydrophobicContact CB-CE1 3.7Å; L201-Y227 HydrophobicContact CB-CG 4.16Å; L201-Y227 HydrophobicContact CD1-CE1 4.1Å; L201-Y227 HydrophobicContact CD1-CE2 4.4Å; L201-Y227 HydrophobicContact CD2-CD1 4.27Å; L201-Y227 HydrophobicContact CD2-CD2 4.07Å; L201-Y227 HydrophobicContact CD2-CE2 4.38Å; L201-Y227 HydrophobicContact CD2-CG 4.02Å; L201-Y227 HydrophobicContact CG-CD1 4.39Å; L201-Y227 HydrophobicContact CG-CE1 4.32Å
202	V	98.4	Very high	96.3	Very high	15 Å²	15	16.2 Å²	16.2	9%	0.091	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	119.5	-177.4	-176.8	0	0	0	0	110.2	Y34 I123 C136 I137 P200 A206	Y34-V202 HydrophobicContact CE2-CG2 4.11Å; I123-V202 HydrophobicContact CD1-CG1 4.23Å; I123-V202 HydrophobicContact CD1-CG2 3.8Å; C136-V202 CarbonylContact C-O 3.52Å; C136-V202 WeakPolarHBondContact CA-O 3.24Å; C136-V202 VanDerWaalsContact CB-O 3.27Å; C136-V202 WeakPolarHBondContact CB-O 3.46Å; I137-V202 PolarHBondContact N-O 3.41Å; I137-V202 PolarHBondContact O-N 2.74Å; P200-V202 HydrophobicContact CB-CG2 3.73Å; P200-V202 HydrophobicContact CG-CG2 3.96Å; V202-A206 WeakPolarHBondContact CA-O 3.48Å
203	C	97.6	Very high	96.6	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.007	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.6	178.1	-52.5	0	0	0	0	109	R126 L130 C136 G205 A206 A208	R126-C203 PolarHBondContact NH1-O 2.87Å; R126-C203 VanDerWaalsContact NH1-O 3.15Å; L130-C203 HydrophobicContact CD2-CB 3.87Å; C136-C203 HydrophobicContact CB-CB 4.09Å; C136-C203 WeakPolarHBondContact CB-SG 3.44Å; C136-C203 WeakPolarHBondContact SG-CB 3.39Å; C136-C203 CovalentContact SG-SG 2.03Å; C136-C203 PolarHBondContact SG-SG 3.15Å; C203-G205 PolarHBondContact O-N 2.81Å; C203-A206 PolarHBondContact N-O 2.98Å; C203-A206 PolarHBondContact O-N 3.37Å; C203-A208 HydrophobicContact CB-CB 3.91Å
204	D	94.9	Very high	96.7	Very high	124 Å²	124	19 Å²	19	66%	0.663	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	38.7	-176.4	-51.6	-44.7	0	0	0	112.7	R126 A206	R126-D204 IonicContact CZ-OD2 3.24Å; R126-D204 IonicContact NH1-OD2 3.85Å; R126-D204 PolarHBondContact NH1-OD2 2.83Å; R126-D204 IonicContact NH2-OD2 3.58Å; R126-D204 PolarHBondContact NH2-OD2 3.02Å; D204-A206 VanDerWaalsContact C-N 3.28Å; D204-A206 PolarHBondContact O-N 3.44Å
205	G	95.9	Very high	96.7	Very high	58 Å²	58	15.9 Å²	15.9	60%	0.598	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	77	2.1	177.4	0	0	0	0	0	116	C203	C203-G205 PolarHBondContact O-N 2.81Å
206	A	98.1	Very high	96.6	Very high	8 Å²	8	27.3 Å²	27.3	7%	0.066	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	152.4	-178.6	0	0	0	0	0	112.1	S124 R126 V202 C203 D204 A208	S124-A206 WeakPolarHBondContact O-CA 3.42Å; S124-A206 WeakPolarHBondContact OG-CB 3.25Å; R126-A206 HydrophobicContact CB-CB 3.85Å; V202-A206 WeakPolarHBondContact CA-O 3.48Å; C203-A206 PolarHBondContact N-O 2.98Å; C203-A206 PolarHBondContact O-N 3.37Å; D204-A206 VanDerWaalsContact C-N 3.28Å; D204-A206 PolarHBondContact O-N 3.44Å; A206-A208 PolarHBondContact O-N 2.76Å
207	S	98	Very high	96.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	111.2	177.2	-175.2	0	0	0	0	110.2	S124 R126	S124-S207 PolarHBondContact O-N 2.92Å; R126-S207 VanDerWaalsContact CB-O 3.27Å; R126-S207 WeakPolarHBondContact CB-O 3.4Å; R126-S207 PolarHBondContact N-O 3.11Å
208	A	98.4	Very high	95.8	Very high	3 Å²	3	32.6 Å²	32.6	3%	0.025	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-17.3	-176.5	0	0	0	0	0	113.5	R126 L130 L201 C203 A206 V230	R126-A208 HydrophobicContact CB-CB 3.7Å; R126-A208 HydrophobicContact CG-CB 3.87Å; L130-A208 HydrophobicContact CD1-CB 3.9Å; L130-A208 HydrophobicContact CD2-CB 3.91Å; L130-A208 HydrophobicContact CG-CB 4.31Å; L201-A208 PolarHBondContact O-N 3.47Å; C203-A208 HydrophobicContact CB-CB 3.91Å; A206-A208 PolarHBondContact O-N 2.76Å; A208-V230 PolarHBondContact O-N 3.04Å; A208-V230 VanDerWaalsContact O-N 3.13Å
209	G	98.3	Very high	95.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	163.8	175.3	0	0	0	0	0	112.6	L201 T228	L201-G209 PolarHBondContact N-O 3.04Å; L201-G209 PolarHBondContact O-N 3.13Å; G209-T228 CarbonylContact C-O 3.58Å; G209-T228 WeakPolarHBondContact CA-O 3Å
210	V	98.7	Very high	94.8	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.8	172.6	178.8	0	0	0	0	107.6	L57 A59 I105 G199 S212 Y227 T228 V230	L57-V210 HydrophobicContact CD2-CG2 3.72Å; L57-V210 HydrophobicContact CG-CG2 3.94Å; A59-V210 HydrophobicContact CB-CG1 4.09Å; I105-V210 HydrophobicContact CD1-CG2 4.34Å; I105-V210 HydrophobicContact CG1-CG2 4.29Å; G199-V210 WeakPolarHBondContact O-CA 3.29Å; V210-S212 PolarHBondContact O-N 2.89Å; V210-Y227 CarbonylContact O-C 3.59Å; V210-Y227 WeakPolarHBondContact O-CA 3.39Å; V210-Y227 VanDerWaalsContact O-CB 3.31Å; V210-Y227 WeakPolarHBondContact O-CB 2.94Å; V210-T228 PolarHBondContact N-O 2.74Å; V210-T228 PolarHBondContact O-N 3.03Å; V210-V230 HydrophobicContact CG2-CG2 4.01Å
211	V	98.4	Very high	94.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	124.1	177.2	174.1	0	0	0	0	108.9	T138 F192 D196 G198 G199 Y227	T138-V211 HydrophobicContact CG2-CG2 3.79Å; F192-V211 HydrophobicContact CB-CG1 4.24Å; F192-V211 HydrophobicContact CD1-CB 4.41Å; F192-V211 HydrophobicContact CD1-CG1 3.71Å; F192-V211 HydrophobicContact CD1-CG2 3.96Å; F192-V211 HydrophobicContact CD2-CG1 3.48Å; F192-V211 VanDerWaalsContact CD2-CG1 3.48Å; F192-V211 HydrophobicContact CE1-CB 4.44Å; F192-V211 HydrophobicContact CE1-CG1 3.77Å; F192-V211 HydrophobicContact CE1-CG2 4.35Å; F192-V211 HydrophobicContact CE2-CG1 3.6Å; F192-V211 HydrophobicContact CG-CG1 3.56Å; F192-V211 HydrophobicContact CG-CG2 4.29Å; F192-V211 HydrophobicContact CZ-CG1 3.73Å; D196-V211 HydrophobicContact CB-CG1 4.28Å; D196-V211 WeakPolarHBondContact O-CB 3.37Å; G198-V211 PolarHBondContact N-O 3.14Å; G199-V211 WeakPolarHBondContact O-CG2 3.47Å; G199-V211 PolarHBondContact O-N 2.9Å; V211-Y227 HydrophobicContact CB-CD1 4.35Å; V211-Y227 HydrophobicContact CB-CE1 4.46Å; V211-Y227 HydrophobicContact CG2-CD1 3.84Å; V211-Y227 HydrophobicContact CG2-CE1 3.56Å
212	S	97.3	Very high	94	Very high	10 Å²	10	43.7 Å²	43.7	7%	0.07	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-71.6	-175.6	-177.8	0	0	0	0	111.3	H61 D104 V210 V226	H61-S212 PolarHBondContact CE1-O 2.72Å; H61-S212 VanDerWaalsContact CE1-O 3.28Å; D104-S212 WeakPolarHBondContact CB-OG 3.08Å; D104-S212 WeakPolarHBondContact OD2-CA 3.4Å; D104-S212 VanDerWaalsContact OD2-CB 3.31Å; D104-S212 WeakPolarHBondContact OD2-CB 3.48Å; D104-S212 PolarHBondContact OD2-OG 2.63Å; V210-S212 PolarHBondContact O-N 2.89Å; S212-V226 PolarHBondContact N-O 3.25Å
213	F	95.3	Very high	93.7	Very high	36 Å²	36	44.6 Å²	44.6	16%	0.158	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.7	-178	68.3	-92.9	0	0	0	113.8	W171 V174 I176 M180 F192 V226	W171-F213 HydrophobicContact CD2-CE2 4.42Å; W171-F213 HydrophobicContact CE3-CE2 4.46Å; W171-F213 AromaticContact CH2-CD2 3.71Å; W171-F213 HydrophobicContact CH2-CD2 3.71Å; W171-F213 AromaticContact CH2-CE2 3.72Å; W171-F213 HydrophobicContact CH2-CE2 3.72Å; W171-F213 AromaticContact CZ2-CD2 3.9Å; W171-F213 HydrophobicContact CZ2-CD2 3.9Å; W171-F213 AromaticContact CZ2-CE2 3.71Å; W171-F213 HydrophobicContact CZ2-CE2 3.71Å; W171-F213 HydrophobicContact CZ3-CD2 4.4Å; W171-F213 HydrophobicContact CZ3-CE2 4.12Å; V174-F213 HydrophobicContact CG1-CE2 4.48Å; I176-F213 HydrophobicContact CD1-CZ 4.08Å; M180-F213 HydrophobicContact CE-CE1 4.18Å; M180-F213 HydrophobicContact SD-CE1 4.34Å; M180-F213 HydrophobicContact SD-CZ 4.42Å; F192-F213 VanDerWaalsContact CZ-O 3.3Å; F192-F213 WeakPolarHBondContact CZ-O 3.42Å; F213-V226 HydrophobicContact CD1-CB 4.16Å; F213-V226 HydrophobicContact CD1-CG1 4.29Å; F213-V226 HydrophobicContact CD2-CB 4.11Å; F213-V226 HydrophobicContact CD2-CG2 4.09Å; F213-V226 HydrophobicContact CE1-CB 3.87Å; F213-V226 HydrophobicContact CE1-CG1 3.63Å; F213-V226 HydrophobicContact CE1-CG2 4.39Å; F213-V226 HydrophobicContact CE2-CB 3.82Å; F213-V226 HydrophobicContact CE2-CG1 4.28Å; F213-V226 HydrophobicContact CE2-CG2 3.53Å; F213-V226 HydrophobicContact CG-CB 4.27Å; F213-V226 HydrophobicContact CZ-CB 3.7Å; F213-V226 HydrophobicContact CZ-CG1 3.63Å; F213-V226 HydrophobicContact CZ-CG2 3.7Å; F213-V226 PolarHBondContact N-O 3.3Å; F213-V226 WeakPolarHBondContact O-CA 3.29Å; F213-V226 WeakPolarHBondContact O-CB 2.9Å; F213-V226 PolarHBondContact O-N 2.03Å
214	S	93.1	Very high	93.6	Very high	31 Å²	31	44.7 Å²	44.7	22%	0.217	22%	0.22	C	C	.	.			trans	-134	177.5	173.1	62.3	0	0	0	0	110
215	G	90.3	Very high	93.7	Very high	13 Å²	13	38.9 Å²	38.9	13%	0.134	19%	0.189	C	C	.	.			trans	-72.8	179.7	176.8	0	0	0	0	0	112.8	R217 T223	G215-R217 PolarHBondContact O-N 3.4Å; G215-R217 VanDerWaalsContact O-N 3.08Å; G215-T223 WeakPolarHBondContact CA-OG1 3.49Å
216	R	87.9	Confident	93.7	Very high	252 Å²	252	36.1 Å²	36.1	95%	0.951	16%	0.161	S	C	*	.	S	Bend	trans	-53.5	-31.7	178.6	-81.8	-176.1	155.7	174.4	-5.2	114.7
217	R	88.8	Confident	93.8	Very high	124 Å²	124	35.8 Å²	35.8	47%	0.468	16%	0.158	S	C	.	.	S	Bend	trans	-111.4	115.6	176	-177	178.5	-176.9	176.7	2.2	107.8	G215 D220	G215-R217 PolarHBondContact O-N 3.4Å; G215-R217 VanDerWaalsContact O-N 3.08Å; R217-D220 HydrophobicContact CB-CB 4.19Å; R217-D220 HydrophobicContact CG-CB 4.45Å; R217-D220 VanDerWaalsContact O-CB 3.3Å; R217-D220 WeakPolarHBondContact O-CB 3.4Å; R217-D220 PolarHBondContact O-N 2.93Å
218	C	89.6	Confident	93.8	Very high	6 Å²	6	36 Å²	36	4%	0.041	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	139.3	179.5	-66	0	0	0	0	111.7	V22 C193 D220	V22-C218 HydrophobicContact CG2-CB 3.72Å; C193-C218 WeakPolarHBondContact CA-SG 3.45Å; C193-C218 HydrophobicContact CB-CB 3.59Å; C193-C218 WeakPolarHBondContact CB-SG 3.34Å; C193-C218 WeakPolarHBondContact SG-CB 3.49Å; C193-C218 CovalentContact SG-SG 2.03Å; C193-C218 PolarHBondContact SG-SG 2.91Å; C218-D220 PolarHBondContact O-N 3.12Å
219	G	85.6	Confident	93.7	Very high	3 Å²	3	39 Å²	39	3%	0.031	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	6.7	-179.3	0	0	0	0	0	115.9	I189 Q190 L221	I189-G219 VanDerWaalsContact CA-O 3.26Å; I189-G219 WeakPolarHBondContact CA-O 3.47Å; Q190-G219 PolarHBondContact N-O 3.11Å; G219-L221 PolarHBondContact O-N 3.36Å
220	D	90.4	Very high	93.7	Very high	18 Å²	18	39 Å²	39	10%	0.096	17%	0.17	C	C	.	.			trans	-68.2	119	177.4	-171.6	-15.5	0	0	0	111.2	I189 R217 C218 R222 T223	I189-D220 HydrophobicContact CD1-CB 4.2Å; R217-D220 HydrophobicContact CB-CB 4.19Å; R217-D220 HydrophobicContact CG-CB 4.45Å; R217-D220 VanDerWaalsContact O-CB 3.3Å; R217-D220 WeakPolarHBondContact O-CB 3.4Å; R217-D220 PolarHBondContact O-N 2.93Å; C218-D220 PolarHBondContact O-N 3.12Å; D220-R222 PolarHBondContact O-N 3Å; D220-R222 WeakPolarHBondContact OD1-CB 3.4Å; D220-R222 IonicContact OD1-CZ 3.28Å; D220-R222 PolarHBondContact OD1-N 3.32Å; D220-R222 IonicContact OD1-NE 3.04Å; D220-R222 PolarHBondContact OD1-NE 3.12Å; D220-R222 IonicContact OD1-NH2 2.71Å; D220-R222 IonicContact OD2-CZ 3.65Å; D220-R222 VanDerWaalsContact OD2-CZ 3.28Å; D220-R222 IonicContact OD2-NE 3.04Å; D220-R222 PolarHBondContact OD2-NE 3.35Å; D220-R222 IonicContact OD2-NH2 2.73Å; D220-R222 PolarHBondContact OD2-NH2 2.99Å; D220-T223 CarbonylContact O-C 3.18Å; D220-T223 PolarHBondContact O-N 3.04Å
221	L	87.8	Confident	93.7	Very high	43 Å²	43	41.3 Å²	41.3	23%	0.225	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.3	178.1	-64	178	0	0	0	113.2	R170 M184 G219 T223	R170-L221 VanDerWaalsContact CD-O 3.28Å; R170-L221 WeakPolarHBondContact CD-O 3.32Å; R170-L221 PolarHBondContact NH1-O 3.28Å; M184-L221 HydrophobicContact CB-CD2 3.68Å; M184-L221 HydrophobicContact CE-CD2 4.41Å; G219-L221 PolarHBondContact O-N 3.36Å; L221-T223 VanDerWaalsContact C-N 3.31Å
222	R	90.7	Very high	93.6	Very high	170 Å²	170	43.4 Å²	43.4	64%	0.642	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-26.1	176	-67.9	177.7	-67.7	-134.4	2.5	113.1	R170 D220	R170-R222 WeakPolarHBondContact CB-O 3.1Å; D220-R222 PolarHBondContact O-N 3Å; D220-R222 WeakPolarHBondContact OD1-CB 3.4Å; D220-R222 IonicContact OD1-CZ 3.28Å; D220-R222 PolarHBondContact OD1-N 3.32Å; D220-R222 IonicContact OD1-NE 3.04Å; D220-R222 PolarHBondContact OD1-NE 3.12Å; D220-R222 IonicContact OD1-NH2 2.71Å; D220-R222 IonicContact OD2-CZ 3.65Å; D220-R222 VanDerWaalsContact OD2-CZ 3.28Å; D220-R222 IonicContact OD2-NE 3.04Å; D220-R222 PolarHBondContact OD2-NE 3.35Å; D220-R222 IonicContact OD2-NH2 2.73Å; D220-R222 PolarHBondContact OD2-NH2 2.99Å
223	T	93.2	Very high	93.6	Very high	34 Å²	34	43.3 Å²	43.3	21%	0.209	20%	0.195	C	C	.	.	S	Bend	trans	-129.5	77.6	177.6	45.7	0	0	0	0	108.2	W171 G215 D220 L221	W171-T223 HydrophobicContact CE3-CG2 4.48Å; W171-T223 HydrophobicContact CH2-CG2 4.48Å; W171-T223 HydrophobicContact CZ3-CG2 4.32Å; G215-T223 WeakPolarHBondContact CA-OG1 3.49Å; D220-T223 CarbonylContact O-C 3.18Å; D220-T223 PolarHBondContact O-N 3.04Å; L221-T223 VanDerWaalsContact C-N 3.31Å
224	P	95.1	Very high	93.7	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.019	20%	0.198	C	C	.	.			trans	-59.3	142.2	-172.7	-20.3	30.3	0	0	0	112.1	M162 R170 W171 C182 S183 V226	M162-P224 HydrophobicContact CE-CB 3.8Å; M162-P224 HydrophobicContact CE-CG 3.64Å; M162-P224 HydrophobicContact SD-CB 4.14Å; M162-P224 HydrophobicContact SD-CG 3.74Å; R170-P224 HydrophobicContact CB-CG 3.91Å; R170-P224 HydrophobicContact CG-CG 4.28Å; W171-P224 WeakPolarHBondContact CZ2-O 3.46Å; W171-P224 PolarHBondContact NE1-O 2.86Å; C182-P224 HydrophobicContact CB-CB 4.37Å; S183-P224 WeakPolarHBondContact O-CB 3.15Å; P224-V226 WeakPolarHBondContact O-CG2 3.22Å; P224-V226 PolarHBondContact O-N 3.46Å
225	D	96.2	Very high	93.9	Very high	3 Å²	3	51 Å²	51	2%	0.016	23%	0.226	C	C	.	.			trans	-50.6	128.8	174.1	-73.9	7.5	0	0	0	112.3	C182 S183 G191 F192 Y227	C182-D225 CarbonylContact C-O 3.6Å; C182-D225 WeakPolarHBondContact CA-O 3.43Å; C182-D225 WeakPolarHBondContact CB-O 3.5Å; S183-D225 PolarHBondContact N-O 2.79Å; G191-D225 WeakPolarHBondContact CA-OD2 3.32Å; F192-D225 HydrophobicContact CD1-CB 3.83Å; F192-D225 WeakPolarHBondContact CD1-OD2 3.47Å; F192-D225 HydrophobicContact CE1-CB 3.41Å; F192-D225 VanDerWaalsContact CE1-CB 3.41Å; F192-D225 HydrophobicContact CZ-CB 3.94Å; F192-D225 PolarHBondContact N-OD2 2.89Å; D225-Y227 HydrophobicContact CB-CE2 3.89Å
226	V	97.6	Very high	94.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.4	-177.7	-172.1	0	0	0	0	110.6	W171 I176 M180 F192 S212 F213 P224	W171-V226 HydrophobicContact CZ2-CG2 3.81Å; W171-V226 VanDerWaalsContact NE1-CG2 3.3Å; I176-V226 HydrophobicContact CD1-CG1 4.48Å; I176-V226 HydrophobicContact CD1-CG2 3.99Å; M180-V226 HydrophobicContact CB-CG1 3.95Å; M180-V226 HydrophobicContact CG-CG1 4.01Å; M180-V226 HydrophobicContact SD-CG1 3.77Å; F192-V226 WeakPolarHBondContact CZ-O 3.17Å; S212-V226 PolarHBondContact N-O 3.25Å; F213-V226 HydrophobicContact CD1-CB 4.16Å; F213-V226 HydrophobicContact CD1-CG1 4.29Å; F213-V226 HydrophobicContact CD2-CB 4.11Å; F213-V226 HydrophobicContact CD2-CG2 4.09Å; F213-V226 HydrophobicContact CE1-CB 3.87Å; F213-V226 HydrophobicContact CE1-CG1 3.63Å; F213-V226 HydrophobicContact CE1-CG2 4.39Å; F213-V226 HydrophobicContact CE2-CB 3.82Å; F213-V226 HydrophobicContact CE2-CG1 4.28Å; F213-V226 HydrophobicContact CE2-CG2 3.53Å; F213-V226 HydrophobicContact CG-CB 4.27Å; F213-V226 HydrophobicContact CZ-CB 3.7Å; F213-V226 HydrophobicContact CZ-CG1 3.63Å; F213-V226 HydrophobicContact CZ-CG2 3.7Å; F213-V226 PolarHBondContact N-O 3.3Å; F213-V226 WeakPolarHBondContact O-CA 3.29Å; F213-V226 WeakPolarHBondContact O-CB 2.9Å; F213-V226 PolarHBondContact O-N 2.03Å; P224-V226 WeakPolarHBondContact O-CG2 3.22Å; P224-V226 PolarHBondContact O-N 3.46Å
227	Y	98.3	Very high	94.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145.7	178.8	-53.4	-106.3	0	0	0	109.5	T138 M180 V181 S183 F192 L201 V210 V211 D225 R229	T138-Y227 HydrophobicContact CG2-CE1 4.1Å; T138-Y227 WeakPolarHBondContact OG1-CE1 3.34Å; T138-Y227 PolarHBondContact OG1-OH 3.21Å; M180-Y227 CarbonylContact C-O 3.59Å; M180-Y227 VanDerWaalsContact CA-O 3.29Å; M180-Y227 WeakPolarHBondContact CA-O 3.36Å; V181-Y227 PolarHBondContact N-O 3.16Å; V181-Y227 PolarHBondContact O-N 3.27Å; S183-Y227 WeakPolarHBondContact OG-CE2 3.12Å; S183-Y227 PolarHBondContact OG-OH 2.6Å; F192-Y227 AromaticContact CD1-CE1 3.76Å; F192-Y227 HydrophobicContact CD1-CE1 3.76Å; F192-Y227 HydrophobicContact CD1-CE2 4.19Å; F192-Y227 AromaticContact CD1-CZ 3.53Å; F192-Y227 WeakPolarHBondContact CD1-OH 3.42Å; F192-Y227 HydrophobicContact CE1-CD1 4.18Å; F192-Y227 HydrophobicContact CE1-CD2 4.23Å; F192-Y227 AromaticContact CE1-CE1 3.75Å; F192-Y227 HydrophobicContact CE1-CE1 3.75Å; F192-Y227 AromaticContact CE1-CE2 3.75Å; F192-Y227 HydrophobicContact CE1-CE2 3.75Å; F192-Y227 HydrophobicContact CE1-CG 4.43Å; F192-Y227 AromaticContact CE1-CZ 3.51Å; L201-Y227 HydrophobicContact CB-CD1 3.59Å; L201-Y227 HydrophobicContact CB-CE1 3.7Å; L201-Y227 HydrophobicContact CB-CG 4.16Å; L201-Y227 HydrophobicContact CD1-CE1 4.1Å; L201-Y227 HydrophobicContact CD1-CE2 4.4Å; L201-Y227 HydrophobicContact CD2-CD1 4.27Å; L201-Y227 HydrophobicContact CD2-CD2 4.07Å; L201-Y227 HydrophobicContact CD2-CE2 4.38Å; L201-Y227 HydrophobicContact CD2-CG 4.02Å; L201-Y227 HydrophobicContact CG-CD1 4.39Å; L201-Y227 HydrophobicContact CG-CE1 4.32Å; V210-Y227 CarbonylContact O-C 3.59Å; V210-Y227 WeakPolarHBondContact O-CA 3.39Å; V210-Y227 VanDerWaalsContact O-CB 3.31Å; V210-Y227 WeakPolarHBondContact O-CB 2.94Å; V211-Y227 HydrophobicContact CB-CD1 4.35Å; V211-Y227 HydrophobicContact CB-CE1 4.46Å; V211-Y227 HydrophobicContact CG2-CD1 3.84Å; V211-Y227 HydrophobicContact CG2-CE1 3.56Å; D225-Y227 HydrophobicContact CB-CE2 3.89Å; Y227-R229 PolarHBondContact O-N 3.2Å
228	T	98.4	Very high	95.3	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.025	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	124.1	164.9	-58.9	0	0	0	0	108.7	D104 I105 G209 V210 V230 F233	D104-T228 WeakPolarHBondContact O-CB 3.39Å; D104-T228 PolarHBondContact O-OG1 3.07Å; I105-T228 HydrophobicContact CB-CG2 4.03Å; I105-T228 HydrophobicContact CD1-CG2 4.41Å; I105-T228 HydrophobicContact CG2-CG2 4.4Å; G209-T228 CarbonylContact C-O 3.58Å; G209-T228 WeakPolarHBondContact CA-O 3Å; V210-T228 PolarHBondContact N-O 2.74Å; V210-T228 PolarHBondContact O-N 3.03Å; T228-V230 PolarHBondContact O-N 3.04Å; T228-F233 HydrophobicContact CG2-CD2 3.72Å; T228-F233 HydrophobicContact CG2-CE2 3.25Å; T228-F233 HydrophobicContact CG2-CZ 3.94Å
229	R	97.8	Very high	95.7	Very high	66 Å²	66	43.8 Å²	43.8	25%	0.249	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	106.4	-176.5	-173	179.7	71.9	-157.2	4	110.7	R178 T179 V181 Y227 D231 S232 F233	R178-R229 PolarHBondContact O-NH1 2.61Å; R178-R229 PolarHBondContact O-NH2 3.43Å; T179-R229 VanDerWaalsContact O-CB 3.25Å; T179-R229 WeakPolarHBondContact O-CB 3.49Å; T179-R229 PolarHBondContact O-N 3.28Å; V181-R229 HydrophobicContact CB-CB 4.38Å; V181-R229 HydrophobicContact CG1-CB 4.26Å; Y227-R229 PolarHBondContact O-N 3.2Å; R229-D231 VanDerWaalsContact C-N 3.28Å; R229-D231 PolarHBondContact O-N 3.43Å; R229-D231 VanDerWaalsContact O-N 3.16Å; R229-S232 VanDerWaalsContact CZ-OG 3.25Å; R229-S232 PolarHBondContact NE-OG 2.98Å; R229-S232 PolarHBondContact NH2-OG 2.84Å; R229-S232 WeakPolarHBondContact O-CB 3.17Å; R229-S232 PolarHBondContact O-N 3.08Å; R229-F233 WeakPolarHBondContact O-CD2 3.41Å
230	V	98	Very high	96.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-51.7	-42.3	-174.8	166.2	0	0	0	0	113.3	L57 L125 A208 V210 T228 S232 F233 R234 I237	L57-V230 HydrophobicContact CD2-CG2 4.16Å; L125-V230 HydrophobicContact CB-CG1 4.08Å; L125-V230 HydrophobicContact CD2-CG1 3.69Å; L125-V230 HydrophobicContact CG-CG1 4.34Å; A208-V230 PolarHBondContact O-N 3.04Å; A208-V230 VanDerWaalsContact O-N 3.13Å; V210-V230 HydrophobicContact CG2-CG2 4.01Å; T228-V230 PolarHBondContact O-N 3.04Å; V230-S232 PolarHBondContact O-N 3.04Å; V230-F233 PolarHBondContact O-N 3.05Å; V230-R234 PolarHBondContact O-N 3.24Å; V230-I237 HydrophobicContact CG1-CD1 4.31Å
231	D	97	Very high	96.7	Very high	51 Å²	51	44.6 Å²	44.6	27%	0.273	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-55.3	-30.3	-178	-170.3	60	0	0	0	113	S127 G128 R229 F233 R234	S127-D231 WeakPolarHBondContact CA-OD1 3.03Å; G128-D231 VanDerWaalsContact N-CG 3.34Å; G128-D231 PolarHBondContact N-OD1 3.07Å; R229-D231 VanDerWaalsContact C-N 3.28Å; R229-D231 PolarHBondContact O-N 3.43Å; R229-D231 VanDerWaalsContact O-N 3.16Å; D231-F233 VanDerWaalsContact C-N 3.28Å; D231-F233 PolarHBondContact O-N 2.69Å; D231-R234 WeakPolarHBondContact OD1-CD 3.05Å
232	S	97.4	Very high	97.2	Very high	45 Å²	45	48.9 Å²	48.9	32%	0.315	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-76.8	-13.6	179.8	-56.3	0	0	0	0	114.5	R229 V230	R229-S232 VanDerWaalsContact CZ-OG 3.25Å; R229-S232 PolarHBondContact NE-OG 2.98Å; R229-S232 PolarHBondContact NH2-OG 2.84Å; R229-S232 WeakPolarHBondContact O-CB 3.17Å; R229-S232 PolarHBondContact O-N 3.08Å; V230-S232 PolarHBondContact O-N 3.04Å
233	F	98.2	Very high	97.5	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.035	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-114.8	6.4	-177.8	-62.5	-84.7	0	0	0	112.5	H95 N103 I105 T179 T228 R229 V230 D231 Q235 W236 I237	H95-F233 AromaticContact CD2-CD1 3.45Å; H95-F233 VanDerWaalsContact CD2-CD1 3.45Å; H95-F233 WeakPolarHBondContact CD2-CD1 3.06Å; H95-F233 AromaticContact CD2-CE1 3.75Å; H95-F233 AromaticContact NE2-CD1 3.58Å; H95-F233 AromaticContact NE2-CE1 3.75Å; N103-F233 HydrophobicContact CB-CE1 3.86Å; N103-F233 HydrophobicContact CB-CZ 3.98Å; N103-F233 VanDerWaalsContact OD1-CZ 3.28Å; N103-F233 WeakPolarHBondContact OD1-CZ 3.05Å; I105-F233 HydrophobicContact CD1-CB 3.9Å; I105-F233 HydrophobicContact CD1-CD2 4.22Å; I105-F233 HydrophobicContact CD1-CG 4.1Å; I105-F233 HydrophobicContact CG2-CD1 3.83Å; I105-F233 HydrophobicContact CG2-CD2 4.42Å; I105-F233 HydrophobicContact CG2-CE1 4.11Å; I105-F233 HydrophobicContact CG2-CG 3.99Å; T179-F233 HydrophobicContact CG2-CE2 4.21Å; T179-F233 HydrophobicContact CG2-CZ 3.98Å; T228-F233 HydrophobicContact CG2-CD2 3.72Å; T228-F233 HydrophobicContact CG2-CE2 3.25Å; T228-F233 HydrophobicContact CG2-CZ 3.94Å; R229-F233 WeakPolarHBondContact O-CD2 3.41Å; V230-F233 PolarHBondContact O-N 3.05Å; D231-F233 VanDerWaalsContact C-N 3.28Å; D231-F233 PolarHBondContact O-N 2.69Å; F233-Q235 VanDerWaalsContact C-N 3.35Å; F233-Q235 PolarHBondContact O-N 3.48Å; F233-W236 HydrophobicContact CB-CE3 4.25Å; F233-W236 WeakPolarHBondContact O-CB 3.17Å; F233-W236 PolarHBondContact O-N 2.74Å; F233-W236 VanDerWaalsContact O-N 3.08Å; F233-I237 HydrophobicContact CB-CD1 4.34Å; F233-I237 HydrophobicContact CB-CG1 4.49Å; F233-I237 WeakPolarHBondContact O-CG1 3.37Å; F233-I237 PolarHBondContact O-N 3.33Å
234	R	96.8	Very high	97.6	Very high	58 Å²	58	46.6 Å²	46.6	22%	0.219	23%	0.227	C	C	.	.	H	α-helix	trans	-54.5	-47.2	-175.7	-71.8	-174.8	67.3	100.8	11.1	113.3	L125 R126 V230 D231 W236 I237 E238	L125-R234 PolarHBondContact O-NH1 3.02Å; R126-R234 VanDerWaalsContact C-NH1 3.3Å; R126-R234 PolarHBondContact O-NH1 3.45Å; V230-R234 PolarHBondContact O-N 3.24Å; D231-R234 WeakPolarHBondContact OD1-CD 3.05Å; R234-W236 VanDerWaalsContact C-N 3.28Å; R234-W236 PolarHBondContact O-N 2.89Å; R234-I237 PolarHBondContact O-N 3.19Å; R234-E238 IonicContact CZ-OE1 3.61Å; R234-E238 IonicContact NE-OE1 3.12Å; R234-E238 IonicContact NH2-OE1 3.93Å; R234-E238 PolarHBondContact NH2-OE1 2.92Å; R234-E238 WeakPolarHBondContact O-CB 3.49Å; R234-E238 VanDerWaalsContact O-CG 3.29Å; R234-E238 WeakPolarHBondContact O-CG 3.46Å; R234-E238 PolarHBondContact O-N 3.25Å
235	Q	97.6	Very high	97.7	Very high	169 Å²	169	48.8 Å²	48.8	79%	0.79	24%	0.237	S	C	*	.	H	α-helix	trans	-60.3	-40.6	179.4	-69.7	-179.7	-11.6	0	0	111.8	F233 K239	F233-Q235 VanDerWaalsContact C-N 3.35Å; F233-Q235 PolarHBondContact O-N 3.48Å; Q235-K239 VanDerWaalsContact O-CB 3.25Å; Q235-K239 WeakPolarHBondContact O-CB 3.15Å; Q235-K239 PolarHBondContact O-N 3.1Å
236	W	98.6	Very high	97.8	Very high	39 Å²	39	51.2 Å²	51.2	15%	0.148	25%	0.249	C	C	.	.	H	α-helix	trans	-67.7	-45.1	175.8	169.1	81.9	0	0	0	111.5	F93 H95 I105 L107 F233 R234 K239 V240	F93-W236 WeakPolarHBondContact O-CH2 3.38Å; F93-W236 VanDerWaalsContact O-CZ2 3.25Å; F93-W236 WeakPolarHBondContact O-CZ2 3.45Å; H95-W236 HydrophobicContact CB-CH2 4.46Å; H95-W236 HydrophobicContact CB-CZ2 4.21Å; H95-W236 AromaticContact CD2-CD1 3.89Å; H95-W236 AromaticContact CD2-CD2 3.52Å; H95-W236 AromaticContact CD2-CE2 3.78Å; H95-W236 AromaticContact CD2-CE3 3.93Å; H95-W236 AromaticContact CD2-CG 3.62Å; H95-W236 AromaticContact CD2-NE1 3.97Å; H95-W236 AromaticContact NE2-CG 3.95Å; I105-W236 HydrophobicContact CB-CZ3 4.5Å; I105-W236 HydrophobicContact CD1-CZ3 4.27Å; I105-W236 HydrophobicContact CG1-CZ3 4.06Å; I105-W236 HydrophobicContact CG2-CE3 4.35Å; I105-W236 HydrophobicContact CG2-CH2 4.32Å; I105-W236 HydrophobicContact CG2-CZ3 3.85Å; L107-W236 HydrophobicContact CB-CH2 4.49Å; L107-W236 HydrophobicContact CD1-CH2 4.24Å; L107-W236 HydrophobicContact CD1-CZ3 4.27Å; L107-W236 HydrophobicContact CG-CH2 4.11Å; L107-W236 HydrophobicContact CG-CZ3 4.27Å; F233-W236 HydrophobicContact CB-CE3 4.25Å; F233-W236 WeakPolarHBondContact O-CB 3.17Å; F233-W236 PolarHBondContact O-N 2.74Å; F233-W236 VanDerWaalsContact O-N 3.08Å; R234-W236 VanDerWaalsContact C-N 3.28Å; R234-W236 PolarHBondContact O-N 2.89Å; W236-K239 PolarHBondContact O-N 3.12Å; W236-V240 HydrophobicContact CD2-CG2 4.42Å; W236-V240 HydrophobicContact CZ2-CG2 4.21Å; W236-V240 WeakPolarHBondContact O-CG2 3.39Å; W236-V240 PolarHBondContact O-N 3.19Å
237	I	98.6	Very high	97.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.2	-52.6	177	-66.4	166.6	0	0	0	110.1	L51 L57 I105 L107 L125 V230 F233 R234 K239 V240 L241	L51-I237 HydrophobicContact CD1-CG2 4.07Å; L57-I237 HydrophobicContact CD1-CD1 4.31Å; I105-I237 HydrophobicContact CD1-CD1 4.08Å; L107-I237 HydrophobicContact CD1-CB 4.39Å; L107-I237 HydrophobicContact CD1-CG1 4.48Å; L107-I237 HydrophobicContact CD1-CG2 4.13Å; L107-I237 HydrophobicContact CD2-CG2 4.45Å; L125-I237 HydrophobicContact CD1-CB 4.29Å; L125-I237 HydrophobicContact CD1-CD1 4Å; L125-I237 HydrophobicContact CD1-CG2 3.68Å; L125-I237 HydrophobicContact CD2-CD1 4.33Å; V230-I237 HydrophobicContact CG1-CD1 4.31Å; F233-I237 HydrophobicContact CB-CD1 4.34Å; F233-I237 HydrophobicContact CB-CG1 4.49Å; F233-I237 WeakPolarHBondContact O-CG1 3.37Å; F233-I237 PolarHBondContact O-N 3.33Å; R234-I237 PolarHBondContact O-N 3.19Å; I237-K239 VanDerWaalsContact C-N 3.31Å; I237-K239 PolarHBondContact O-N 3.34Å; I237-V240 PolarHBondContact O-N 3.34Å; I237-L241 HydrophobicContact CG2-CD1 3.75Å; I237-L241 HydrophobicContact CG2-CG 4.21Å; I237-L241 WeakPolarHBondContact O-CB 3.29Å; I237-L241 VanDerWaalsContact O-CG 3.26Å; I237-L241 WeakPolarHBondContact O-CG 3.28Å; I237-L241 PolarHBondContact O-N 3.49Å
238	E	98.1	Very high	97.8	Very high	81 Å²	81	57.2 Å²	57.2	38%	0.379	28%	0.278	S	S	.	.	H	α-helix	trans	-59.7	-41.4	-179.8	-71.9	166.3	-171.5	0	0	111.3	R234 L241 N242	R234-E238 IonicContact CZ-OE1 3.61Å; R234-E238 IonicContact NE-OE1 3.12Å; R234-E238 IonicContact NH2-OE1 3.93Å; R234-E238 PolarHBondContact NH2-OE1 2.92Å; R234-E238 WeakPolarHBondContact O-CB 3.49Å; R234-E238 VanDerWaalsContact O-CG 3.29Å; R234-E238 WeakPolarHBondContact O-CG 3.46Å; R234-E238 PolarHBondContact O-N 3.25Å; E238-L241 PolarHBondContact O-N 3.37Å; E238-N242 WeakPolarHBondContact O-CB 3.3Å; E238-N242 PolarHBondContact O-N 2.89Å; E238-N242 PolarHBondContact O-ND2 3.04Å; E238-N242 VanDerWaalsContact O-ND2 3.17Å
239	K	98.5	Very high	97.7	Very high	124 Å²	124	60.6 Å²	60.6	54%	0.539	29%	0.294	S	S	.	.	H	α-helix	trans	-60.5	-50	174.7	176	167.5	170.3	47.2	0	112.2	Q235 W236 I237 L241 N242 D243	Q235-K239 VanDerWaalsContact O-CB 3.25Å; Q235-K239 WeakPolarHBondContact O-CB 3.15Å; Q235-K239 PolarHBondContact O-N 3.1Å; W236-K239 PolarHBondContact O-N 3.12Å; I237-K239 VanDerWaalsContact C-N 3.31Å; I237-K239 PolarHBondContact O-N 3.34Å; K239-L241 VanDerWaalsContact C-N 3.32Å; K239-L241 PolarHBondContact O-N 3.29Å; K239-N242 PolarHBondContact O-N 3.04Å; K239-D243 WeakPolarHBondContact CG-OD2 3.15Å; K239-D243 IonicContact NZ-OD2 2.69Å; K239-D243 PolarHBondContact NZ-OD2 3.05Å; K239-D243 WeakPolarHBondContact O-CB 3.34Å; K239-D243 PolarHBondContact O-N 2.8Å
240	V	98.6	Very high	97.7	Very high	14 Å²	14	60.2 Å²	60.2	9%	0.085	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-43	179.8	172.6	0	0	0	0	111	F55 F93 L107 W236 I237 N242 D243 N244	F55-V240 HydrophobicContact CE1-CG1 4.1Å; F93-V240 HydrophobicContact CB-CG1 4.04Å; F93-V240 HydrophobicContact CD1-CG1 3.99Å; F93-V240 HydrophobicContact CD2-CG1 4.16Å; F93-V240 HydrophobicContact CE1-CG1 4.45Å; F93-V240 HydrophobicContact CG-CG1 3.82Å; L107-V240 HydrophobicContact CB-CG1 4.23Å; L107-V240 HydrophobicContact CD1-CB 3.6Å; L107-V240 HydrophobicContact CD1-CG1 3.55Å; L107-V240 HydrophobicContact CD1-CG2 4.29Å; W236-V240 HydrophobicContact CD2-CG2 4.42Å; W236-V240 HydrophobicContact CZ2-CG2 4.21Å; W236-V240 WeakPolarHBondContact O-CG2 3.39Å; W236-V240 PolarHBondContact O-N 3.19Å; I237-V240 PolarHBondContact O-N 3.34Å; V240-N242 VanDerWaalsContact C-N 3.34Å; V240-N242 PolarHBondContact O-N 2.71Å; V240-D243 PolarHBondContact O-N 3.17Å; V240-N244 WeakPolarHBondContact O-CB 3.44Å; V240-N244 PolarHBondContact O-N 3.12Å; V240-N244 PolarHBondContact O-ND2 3.37Å
241	L	98.1	Very high	97.7	Very high	25 Å²	25	64.5 Å²	64.5	13%	0.131	32%	0.318	C	S	.	.	H	α-helix	trans	-64.9	-35	177.7	-67.6	178.2	0	0	0	112.6	R52 F55 L107 I237 E238 K239	R52-L241 PolarHBondContact NH1-O 3.31Å; R52-L241 PolarHBondContact NH2-O 3.04Å; F55-L241 HydrophobicContact CB-CD2 3.54Å; F55-L241 HydrophobicContact CD1-CD2 3.62Å; F55-L241 HydrophobicContact CD2-CD2 3.78Å; F55-L241 HydrophobicContact CE1-CD2 4.22Å; F55-L241 HydrophobicContact CE2-CD2 4.38Å; F55-L241 HydrophobicContact CG-CD2 3.35Å; L107-L241 HydrophobicContact CD1-CG 4.49Å; I237-L241 HydrophobicContact CG2-CD1 3.75Å; I237-L241 HydrophobicContact CG2-CG 4.21Å; I237-L241 WeakPolarHBondContact O-CB 3.29Å; I237-L241 VanDerWaalsContact O-CG 3.26Å; I237-L241 WeakPolarHBondContact O-CG 3.28Å; I237-L241 PolarHBondContact O-N 3.49Å; E238-L241 PolarHBondContact O-N 3.37Å; K239-L241 VanDerWaalsContact C-N 3.32Å; K239-L241 PolarHBondContact O-N 3.29Å
242	N	97.7	Very high	97.8	Very high	132 Å²	132	65.5 Å²	65.5	71%	0.706	32%	0.322	S	S	*	.	H	α-helix	trans	-77.8	-33.1	-179.9	-71	-23.2	0	0	0	112.6	E238 K239 V240 N244	E238-N242 WeakPolarHBondContact O-CB 3.3Å; E238-N242 PolarHBondContact O-N 2.89Å; E238-N242 PolarHBondContact O-ND2 3.04Å; E238-N242 VanDerWaalsContact O-ND2 3.17Å; K239-N242 PolarHBondContact O-N 3.04Å; V240-N242 VanDerWaalsContact C-N 3.34Å; V240-N242 PolarHBondContact O-N 2.71Å; N242-N244 VanDerWaalsContact C-N 3.32Å
243	D	97.4	Very high	97.8	Very high	99 Å²	99	67.3 Å²	67.3	53%	0.529	32%	0.323	S	S	.	.	H	α-helix	trans	-82.4	-8.4	-177.3	-66	-13.7	0	0	0	113.4	K239 V240	K239-D243 WeakPolarHBondContact CG-OD2 3.15Å; K239-D243 IonicContact NZ-OD2 2.69Å; K239-D243 PolarHBondContact NZ-OD2 3.05Å; K239-D243 WeakPolarHBondContact O-CB 3.34Å; K239-D243 PolarHBondContact O-N 2.8Å; V240-D243 PolarHBondContact O-N 3.17Å
244	N	95.3	Very high	97.7	Very high	58 Å²	58	72.6 Å²	72.6	31%	0.31	35%	0.349	S	S	.	.			trans	-141.6	0	-171.9	-60.6	-92.1	0	0	0	112.3	R52 F55 F93 K109 V240 N242	R52-N244 PolarHBondContact NH2-OXT 3.42Å; F55-N244 HydrophobicContact CE2-CB 4.31Å; F55-N244 HydrophobicContact CZ-CB 3.72Å; F93-N244 HydrophobicContact CZ-CB 4.25Å; F93-N244 VanDerWaalsContact CZ-OD1 3.32Å; F93-N244 WeakPolarHBondContact CZ-OD1 3.26Å; K109-N244 HydrophobicContact CD-CB 4.44Å; K109-N244 PolarHBondContact NZ-O 3.25Å; V240-N244 WeakPolarHBondContact O-CB 3.44Å; V240-N244 PolarHBondContact O-N 3.12Å; V240-N244 PolarHBondContact O-ND2 3.37Å; N242-N244 VanDerWaalsContact C-N 3.32Å

Retrieved 244 of 244 residues in 549.2 ms (Link to these results)

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