A0A096MRY4_PAPAN Loading...

DNA excision repair protein ERCC-8

Substrate-recognition component of the CSA complex, a DCX (DDB1-CUL4-X-box) E3 ubiquitin-protein ligase complex, involved in transcription-coupled nucleotide excision repair (TC-NER), a process during which RNA polymerase II-blocking lesions are rapidly removed from the transcribed strand of active genes. Following recruitment to lesion-stalled RNA polymerase II (Pol II), the CSA complex mediates ubiquitination of Pol II subunit POLR2A/RPB1 at 'Lys-1268', a critical TC-NER checkpoint, governing RNA Pol II stability and initiating DNA damage excision by TFIIH recruitment. The CSA complex also promotes the ubiquitination and subsequent proteasomal degradation of ERCC6/CSB in a UV-dependent manner; ERCC6 degradation is essential for the recovery of RNA synthesis after transcription-coupled repair. Also plays a role in DNA double-strand breaks (DSSBs) repair by non-homologous end joining (NHEJ).

AlphaFold DB (Q13216), UniProt , Accession A0A096MRY4, Species PAPAN (Papio anubis, Olive baboon), Gene ERCC8, Length 396 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	86.8	Confident	92.9	Very high	137 Å²	137	88 Å²	88	68%	0.675	49%	0.494	S	S	*	.				0	-50.4	0	-165	53.9	-175.1	0	0	114.5	G3 F4 L5	M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 3.32Å; M1-F4 HydrophobicContact CE-CD1 3.84Å; M1-F4 HydrophobicContact CE-CE1 4.08Å; M1-F4 WeakPolarHBondContact O-CB 3.39Å; M1-F4 PolarHBondContact O-N 2.94Å; M1-F4 VanDerWaalsContact O-N 3.1Å; M1-F4 HydrophobicContact SD-CD1 4.04Å; M1-L5 HydrophobicContact CE-CD1 4.28Å; M1-L5 HydrophobicContact CE-CD2 4.26Å; M1-L5 HydrophobicContact CE-CG 4.1Å; M1-L5 HydrophobicContact CG-CD1 4.34Å; M1-L5 PolarHBondContact O-N 3.44Å
2	L	90.5	Very high	93	Very high	148 Å²	148	92.2 Å²	92.2	78%	0.775	51%	0.513	S	S	*	.	H	α-helix	trans	-58.6	-41.2	-176.8	-68.1	173.5	0	0	0	113.8	F4 L5 S6	L2-F4 VanDerWaalsContact C-N 3.31Å; L2-F4 PolarHBondContact O-N 2.7Å; L2-L5 PolarHBondContact O-N 2.81Å; L2-S6 PolarHBondContact O-N 2.65Å; L2-S6 PolarHBondContact O-OG 3.17Å
3	G	92	Very high	93	Very high	50 Å²	50	91.8 Å²	91.8	52%	0.515	51%	0.505	S	S	.	.	H	α-helix	trans	-62.1	-35.1	175.5	0	0	0	0	0	113.9	M1 S6 A7	M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 3.32Å; G3-S6 WeakPolarHBondContact CA-OG 3.42Å; G3-S6 PolarHBondContact O-OG 3.4Å; G3-S6 VanDerWaalsContact O-OG 3.05Å; G3-A7 VanDerWaalsContact O-CB 3.27Å; G3-A7 WeakPolarHBondContact O-CB 3.38Å; G3-A7 PolarHBondContact O-N 3.32Å
4	F	91.3	Very high	93.1	Very high	39 Å²	39	91.4 Å²	91.4	17%	0.171	50%	0.502	C	S	.	.	H	α-helix	trans	-64.5	-43.8	174	164.5	-83.3	0	0	0	111.2	M1 L2 R8 L18 E22	M1-F4 HydrophobicContact CE-CD1 3.84Å; M1-F4 HydrophobicContact CE-CE1 4.08Å; M1-F4 WeakPolarHBondContact O-CB 3.39Å; M1-F4 PolarHBondContact O-N 2.94Å; M1-F4 VanDerWaalsContact O-N 3.1Å; M1-F4 HydrophobicContact SD-CD1 4.04Å; L2-F4 VanDerWaalsContact C-N 3.31Å; L2-F4 PolarHBondContact O-N 2.7Å; F4-R8 WeakPolarHBondContact O-CB 3.5Å; F4-R8 PolarHBondContact O-N 3Å; F4-L18 HydrophobicContact CD2-CB 4.09Å; F4-L18 HydrophobicContact CD2-CD2 3.78Å; F4-L18 HydrophobicContact CD2-CG 4.41Å; F4-L18 HydrophobicContact CE2-CB 3.59Å; F4-L18 HydrophobicContact CE2-CD2 4.19Å; F4-L18 HydrophobicContact CE2-CG 4.37Å; F4-L18 WeakPolarHBondContact CE2-O 3.42Å; F4-L18 HydrophobicContact CZ-CB 4.33Å; F4-E22 HydrophobicContact CD2-CB 4.33Å; F4-E22 HydrophobicContact CE2-CB 3.76Å; F4-E22 HydrophobicContact CE2-CG 4.37Å; F4-E22 HydrophobicContact CZ-CB 4.28Å
5	L	94.1	Very high	93.2	Very high	70 Å²	70	89.5 Å²	89.5	37%	0.366	50%	0.496	S	S	.	.	H	α-helix	trans	-66.2	-45	179.2	-73.4	165.7	0	0	0	111.4	M1 L2 R8 Q9	M1-L5 HydrophobicContact CE-CD1 4.28Å; M1-L5 HydrophobicContact CE-CD2 4.26Å; M1-L5 HydrophobicContact CE-CG 4.1Å; M1-L5 HydrophobicContact CG-CD1 4.34Å; M1-L5 PolarHBondContact O-N 3.44Å; L2-L5 PolarHBondContact O-N 2.81Å; L5-R8 PolarHBondContact O-N 3.24Å; L5-Q9 WeakPolarHBondContact O-CB 3.38Å; L5-Q9 VanDerWaalsContact O-CG 3.26Å; L5-Q9 WeakPolarHBondContact O-CG 3.45Å; L5-Q9 PolarHBondContact O-N 3.37Å
6	S	94.9	Very high	93.2	Very high	55 Å²	55	91.6 Å²	91.6	39%	0.385	51%	0.505	S	S	.	.	H	α-helix	trans	-65.4	-42.9	178.8	63.9	0	0	0	0	111.8	L2 G3 R8 Q9 T10	L2-S6 PolarHBondContact O-N 2.65Å; L2-S6 PolarHBondContact O-OG 3.17Å; G3-S6 WeakPolarHBondContact CA-OG 3.42Å; G3-S6 PolarHBondContact O-OG 3.4Å; G3-S6 VanDerWaalsContact O-OG 3.05Å; S6-R8 VanDerWaalsContact C-N 3.33Å; S6-R8 PolarHBondContact O-N 3.43Å; S6-Q9 PolarHBondContact O-N 3.46Å; S6-T10 WeakPolarHBondContact O-CB 3.43Å; S6-T10 WeakPolarHBondContact O-CG2 3.33Å; S6-T10 PolarHBondContact O-N 2.73Å; S6-T10 PolarHBondContact O-OG1 2.91Å
7	A	94.3	Very high	93.3	Very high	9 Å²	9	95.7 Å²	95.7	7%	0.074	51%	0.511	C	S	.	.	H	α-helix	trans	-60.4	-42.3	175.8	0	0	0	0	0	112	G3 T10 G11 L12 L18	G3-A7 VanDerWaalsContact O-CB 3.27Å; G3-A7 WeakPolarHBondContact O-CB 3.38Å; G3-A7 PolarHBondContact O-N 3.32Å; A7-T10 PolarHBondContact O-OG1 3.07Å; A7-G11 PolarHBondContact O-N 3.05Å; A7-L12 HydrophobicContact CB-CB 4.35Å; A7-L12 PolarHBondContact O-N 2.86Å; A7-L18 HydrophobicContact CB-CD1 4.32Å
8	R	93.6	Very high	93.3	Very high	146 Å²	146	90.9 Å²	90.9	55%	0.551	49%	0.486	S	S	*	.	H	α-helix	trans	-65.9	-41.9	175.9	-173.8	177.6	162.9	175.1	-4.1	112.6	F4 L5 S6 P15 L18	F4-R8 WeakPolarHBondContact O-CB 3.5Å; F4-R8 PolarHBondContact O-N 3Å; L5-R8 PolarHBondContact O-N 3.24Å; S6-R8 VanDerWaalsContact C-N 3.33Å; S6-R8 PolarHBondContact O-N 3.43Å; R8-P15 HydrophobicContact CG-CB 4.49Å; R8-L18 HydrophobicContact CB-CD1 3.8Å; R8-L18 HydrophobicContact CG-CD1 4.48Å
9	Q	95.1	Very high	93.4	Very high	164 Å²	164	93.4 Å²	93.4	77%	0.766	49%	0.487	S	S	*	.	H	α-helix	trans	-68.7	-38.9	-179.7	-76.6	173.8	-20.1	0	0	112.4	L5 S6 G11	L5-Q9 WeakPolarHBondContact O-CB 3.38Å; L5-Q9 VanDerWaalsContact O-CG 3.26Å; L5-Q9 WeakPolarHBondContact O-CG 3.45Å; L5-Q9 PolarHBondContact O-N 3.37Å; S6-Q9 PolarHBondContact O-N 3.46Å; Q9-G11 VanDerWaalsContact C-N 3.33Å
10	T	96	Very high	93.5	Very high	94 Å²	94	94.2 Å²	94.2	58%	0.577	48%	0.484	S	S	*	.	H	α-helix	trans	-83.3	-10.6	-179.4	53.3	0	0	0	0	113.1	S6 A7 L12	S6-T10 WeakPolarHBondContact O-CB 3.43Å; S6-T10 WeakPolarHBondContact O-CG2 3.33Å; S6-T10 PolarHBondContact O-N 2.73Å; S6-T10 PolarHBondContact O-OG1 2.91Å; A7-T10 PolarHBondContact O-OG1 3.07Å; T10-L12 VanDerWaalsContact C-N 3.28Å; T10-L12 PolarHBondContact O-N 3.02Å; T10-L12 WeakPolarHBondContact OG1-CD1 3.45Å; T10-L12 VanDerWaalsContact OG1-CG 3.3Å; T10-L12 WeakPolarHBondContact OG1-CG 3.41Å
11	G	93.7	Very high	93.5	Very high	56 Å²	56	92 Å²	92	58%	0.577	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	24	-176.8	0	0	0	0	0	113.5	A7 Q9 E13	A7-G11 PolarHBondContact O-N 3.05Å; Q9-G11 VanDerWaalsContact C-N 3.33Å; G11-E13 VanDerWaalsContact C-N 3.29Å; G11-E13 PolarHBondContact O-N 3.1Å
12	L	94.1	Very high	93.9	Very high	138 Å²	138	87.1 Å²	87.1	72%	0.723	46%	0.455	S	S	*	.	S	Bend	trans	-65.2	-33.7	177.8	-76.5	171.7	0	0	0	112.3	A7 T10	A7-L12 HydrophobicContact CB-CB 4.35Å; A7-L12 PolarHBondContact O-N 2.86Å; T10-L12 VanDerWaalsContact C-N 3.28Å; T10-L12 PolarHBondContact O-N 3.02Å; T10-L12 WeakPolarHBondContact OG1-CD1 3.45Å; T10-L12 VanDerWaalsContact OG1-CG 3.3Å; T10-L12 WeakPolarHBondContact OG1-CG 3.41Å
13	E	92.6	Very high	94.1	Very high	87 Å²	87	80.3 Å²	80.3	41%	0.407	42%	0.42	S	S	.	.	S	Bend	trans	-130.8	153.2	177.4	-66.9	-172.5	102.2	0	0	110.8	G11 P15 L18	G11-E13 VanDerWaalsContact C-N 3.29Å; G11-E13 PolarHBondContact O-N 3.1Å; E13-P15 WeakPolarHBondContact O-CD 3.46Å; E13-L18 HydrophobicContact CB-CD1 4.04Å; E13-L18 HydrophobicContact CB-CD2 4.29Å; E13-L18 HydrophobicContact CB-CG 3.95Å; E13-L18 WeakPolarHBondContact OE2-CD2 3.4Å
14	D	95	Very high	94.2	Very high	86 Å²	86	78.6 Å²	78.6	46%	0.46	40%	0.399	S	S	.	.			trans	-57.6	123.8	175.8	165.2	41.2	0	0	0	110.9	L16 R17 L18	D14-L16 PolarHBondContact O-N 2.85Å; D14-L16 PolarHBondContact OD1-N 2.87Å; D14-L16 WeakPolarHBondContact OD2-CB 3.34Å; D14-R17 HydrophobicContact CB-CB 4.02Å; D14-R17 PolarHBondContact O-N 2.92Å; D14-R17 WeakPolarHBondContact OD2-CB 3.42Å; D14-R17 PolarHBondContact OD2-N 3.3Å; D14-L18 PolarHBondContact O-N 3.01Å
15	P	94.7	Very high	94.4	Very high	64 Å²	64	81.2 Å²	81.2	42%	0.416	41%	0.408	S	S	.	.	H	α-helix	trans	-56	-32.8	179	-27.7	35.6	0	0	0	114.4	R8 E13 R19	R8-P15 HydrophobicContact CG-CB 4.49Å; E13-P15 WeakPolarHBondContact O-CD 3.46Å; P15-R19 PolarHBondContact O-N 3.46Å
16	L	93.3	Very high	94.4	Very high	122 Å²	122	80.9 Å²	80.9	64%	0.639	40%	0.402	S	S	*	.	H	α-helix	trans	-73	-43.4	179.1	-67	169.8	0	0	0	111.3	D14 L18 R19 R20	D14-L16 PolarHBondContact O-N 2.85Å; D14-L16 PolarHBondContact OD1-N 2.87Å; D14-L16 WeakPolarHBondContact OD2-CB 3.34Å; L16-L18 VanDerWaalsContact C-N 3.32Å; L16-L18 PolarHBondContact O-N 2.88Å; L16-R19 WeakPolarHBondContact O-CB 3.4Å; L16-R19 PolarHBondContact O-N 2.98Å; L16-R20 WeakPolarHBondContact O-CG 3.31Å; L16-R20 PolarHBondContact O-N 3.36Å
17	R	94.1	Very high	94.5	Very high	162 Å²	162	78.5 Å²	78.5	61%	0.611	39%	0.385	S	S	*	.	H	α-helix	trans	-57.6	-44.8	170.9	-178.7	-178.6	174.1	169.5	-2.2	111.7	D14 R19 R20 A21	D14-R17 HydrophobicContact CB-CB 4.02Å; D14-R17 PolarHBondContact O-N 2.92Å; D14-R17 WeakPolarHBondContact OD2-CB 3.42Å; D14-R17 PolarHBondContact OD2-N 3.3Å; R17-R19 PolarHBondContact O-N 2.82Å; R17-R20 PolarHBondContact O-N 3.35Å; R17-A21 PolarHBondContact O-N 2.78Å
18	L	94.3	Very high	94.5	Very high	10 Å²	10	82.3 Å²	82.3	5%	0.052	40%	0.404	C	S	.	.	H	α-helix	trans	-57.9	-48.1	175.3	-81.5	176.1	0	0	0	110.8	F4 A7 R8 E13 D14 L16 R20 A21 E22	F4-L18 HydrophobicContact CD2-CB 4.09Å; F4-L18 HydrophobicContact CD2-CD2 3.78Å; F4-L18 HydrophobicContact CD2-CG 4.41Å; F4-L18 HydrophobicContact CE2-CB 3.59Å; F4-L18 HydrophobicContact CE2-CD2 4.19Å; F4-L18 HydrophobicContact CE2-CG 4.37Å; F4-L18 WeakPolarHBondContact CE2-O 3.42Å; F4-L18 HydrophobicContact CZ-CB 4.33Å; A7-L18 HydrophobicContact CB-CD1 4.32Å; R8-L18 HydrophobicContact CB-CD1 3.8Å; R8-L18 HydrophobicContact CG-CD1 4.48Å; E13-L18 HydrophobicContact CB-CD1 4.04Å; E13-L18 HydrophobicContact CB-CD2 4.29Å; E13-L18 HydrophobicContact CB-CG 3.95Å; E13-L18 WeakPolarHBondContact OE2-CD2 3.4Å; D14-L18 PolarHBondContact O-N 3.01Å; L16-L18 VanDerWaalsContact C-N 3.32Å; L16-L18 PolarHBondContact O-N 2.88Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 3.49Å; L18-A21 PolarHBondContact O-N 3.44Å; L18-E22 WeakPolarHBondContact O-CB 3.31Å; L18-E22 PolarHBondContact O-N 3.19Å
19	R	94.8	Very high	94.5	Very high	137 Å²	137	76.6 Å²	76.6	52%	0.517	39%	0.39	S	S	.	.	H	α-helix	trans	-55.3	-46.2	175.5	-177.4	-180	-178	-105.2	1.5	111.9	P15 L16 R17 A21 E22 S23	P15-R19 PolarHBondContact O-N 3.46Å; L16-R19 WeakPolarHBondContact O-CB 3.4Å; L16-R19 PolarHBondContact O-N 2.98Å; R17-R19 PolarHBondContact O-N 2.82Å; R19-A21 VanDerWaalsContact C-N 3.34Å; R19-A21 PolarHBondContact O-N 2.78Å; R19-E22 PolarHBondContact O-N 3.23Å; R19-S23 WeakPolarHBondContact O-CB 3.25Å; R19-S23 PolarHBondContact O-N 2.82Å; R19-S23 PolarHBondContact O-OG 2.89Å; R19-S23 VanDerWaalsContact O-OG 3.11Å
20	R	94.6	Very high	94.6	Very high	110 Å²	110	69.4 Å²	69.4	42%	0.415	36%	0.357	S	S	.	.	H	α-helix	trans	-62.6	-39.8	178.9	-68.7	173.4	63	81.3	-0.2	112.5	L16 R17 L18 T24 C303 S304	L16-R20 WeakPolarHBondContact O-CG 3.31Å; L16-R20 PolarHBondContact O-N 3.36Å; R17-R20 PolarHBondContact O-N 3.35Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 3.49Å; R20-T24 PolarHBondContact O-N 2.76Å; R20-T24 PolarHBondContact O-OG1 2.83Å; R20-C303 PolarHBondContact NH2-O 2.78Å; R20-S304 WeakPolarHBondContact CB-OG 3.46Å; R20-S304 PolarHBondContact O-N 3.31Å; R20-S304 PolarHBondContact O-OG 2.79Å
21	A	94.2	Very high	94.6	Very high	47 Å²	47	70 Å²	70	39%	0.388	35%	0.353	S	S	.	.	H	α-helix	trans	-66	-45.2	176.5	0	0	0	0	0	111.1	R17 L18 R19 T24 R25 S304	R17-A21 PolarHBondContact O-N 2.78Å; L18-A21 PolarHBondContact O-N 3.44Å; R19-A21 VanDerWaalsContact C-N 3.34Å; R19-A21 PolarHBondContact O-N 2.78Å; A21-T24 VanDerWaalsContact O-CB 3.31Å; A21-T24 WeakPolarHBondContact O-CB 3.42Å; A21-T24 PolarHBondContact O-N 2.79Å; A21-R25 PolarHBondContact O-N 3.48Å; A21-S304 WeakPolarHBondContact CA-OG 3.48Å; A21-S304 PolarHBondContact N-OG 2.67Å; A21-S304 VanDerWaalsContact N-OG 3.15Å
22	E	93.9	Very high	94.8	Very high	35 Å²	35	69.7 Å²	69.7	16%	0.164	34%	0.338	C	S	.	.	H	α-helix	trans	-64.8	-40.8	176.6	178.3	55.6	-158.6	0	0	112.2	F4 L18 R19 T24 R25 R26	F4-E22 HydrophobicContact CD2-CB 4.33Å; F4-E22 HydrophobicContact CE2-CB 3.76Å; F4-E22 HydrophobicContact CE2-CG 4.37Å; F4-E22 HydrophobicContact CZ-CB 4.28Å; L18-E22 WeakPolarHBondContact O-CB 3.31Å; L18-E22 PolarHBondContact O-N 3.19Å; R19-E22 PolarHBondContact O-N 3.23Å; E22-T24 VanDerWaalsContact C-N 3.27Å; E22-T24 PolarHBondContact O-N 3.08Å; E22-R25 VanDerWaalsContact CD-NE 3.3Å; E22-R25 WeakPolarHBondContact O-CB 3.35Å; E22-R25 PolarHBondContact O-N 2.96Å; E22-R25 VanDerWaalsContact O-N 3.13Å; E22-R25 IonicContact OE1-CZ 3.99Å; E22-R25 VanDerWaalsContact OE1-CZ 3.24Å; E22-R25 IonicContact OE1-NE 3.54Å; E22-R25 PolarHBondContact OE1-NE 2.85Å; E22-R25 IonicContact OE1-NH2 3.17Å; E22-R25 PolarHBondContact OE1-NH2 2.87Å; E22-R25 IonicContact OE2-CZ 3.55Å; E22-R25 IonicContact OE2-NE 2.78Å; E22-R25 PolarHBondContact OE2-NE 2.92Å; E22-R25 IonicContact OE2-NH2 2.83Å; E22-R26 WeakPolarHBondContact O-CG 3.41Å; E22-R26 PolarHBondContact O-N 2.8Å
23	S	95	Very high	94.9	Very high	6 Å²	6	64.4 Å²	64.4	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-60.6	-37.1	172.9	-67.6	0	0	0	0	112.1	R19 R26 V27 Q347	R19-S23 WeakPolarHBondContact O-CB 3.25Å; R19-S23 PolarHBondContact O-N 2.82Å; R19-S23 PolarHBondContact O-OG 2.89Å; R19-S23 VanDerWaalsContact O-OG 3.11Å; S23-R26 PolarHBondContact O-N 3.1Å; S23-V27 WeakPolarHBondContact O-CG2 3.38Å; S23-V27 PolarHBondContact O-N 3.35Å; S23-Q347 PolarHBondContact OG-OE1 3.23Å
24	T	95.2	Very high	95.1	Very high	14 Å²	14	68.9 Å²	68.9	9%	0.086	33%	0.329	C	S	.	.	H	α-helix	trans	-62.7	-45.6	173.6	-52.8	0	0	0	0	110.8	R20 A21 E22 R26 V27 L28 S304 S305 F307	R20-T24 PolarHBondContact O-N 2.76Å; R20-T24 PolarHBondContact O-OG1 2.83Å; A21-T24 VanDerWaalsContact O-CB 3.31Å; A21-T24 WeakPolarHBondContact O-CB 3.42Å; A21-T24 PolarHBondContact O-N 2.79Å; E22-T24 VanDerWaalsContact C-N 3.27Å; E22-T24 PolarHBondContact O-N 3.08Å; T24-R26 VanDerWaalsContact C-N 3.28Å; T24-R26 PolarHBondContact O-N 3.3Å; T24-V27 PolarHBondContact O-N 3.38Å; T24-L28 WeakPolarHBondContact O-CG 3.3Å; T24-L28 PolarHBondContact O-N 2.97Å; T24-S304 WeakPolarHBondContact OG1-CB 3.39Å; T24-S304 PolarHBondContact OG1-N 3.36Å; T24-S305 PolarHBondContact OG1-N 3.31Å; T24-F307 HydrophobicContact CG2-CE2 3.85Å; T24-F307 HydrophobicContact CG2-CZ 3.76Å
25	R	94.4	Very high	95.1	Very high	93 Å²	93	69.2 Å²	69.2	35%	0.351	33%	0.331	S	S	.	.	H	α-helix	trans	-56.8	-42.5	175.7	-169.5	-164.8	69.1	73.3	2.1	111.5	A21 E22 L28 G29	A21-R25 PolarHBondContact O-N 3.48Å; E22-R25 VanDerWaalsContact CD-NE 3.3Å; E22-R25 WeakPolarHBondContact O-CB 3.35Å; E22-R25 PolarHBondContact O-N 2.96Å; E22-R25 VanDerWaalsContact O-N 3.13Å; E22-R25 IonicContact OE1-CZ 3.99Å; E22-R25 VanDerWaalsContact OE1-CZ 3.24Å; E22-R25 IonicContact OE1-NE 3.54Å; E22-R25 PolarHBondContact OE1-NE 2.85Å; E22-R25 IonicContact OE1-NH2 3.17Å; E22-R25 PolarHBondContact OE1-NH2 2.87Å; E22-R25 IonicContact OE2-CZ 3.55Å; E22-R25 IonicContact OE2-NE 2.78Å; E22-R25 PolarHBondContact OE2-NE 2.92Å; E22-R25 IonicContact OE2-NH2 2.83Å; R25-L28 PolarHBondContact O-N 3.15Å; R25-G29 PolarHBondContact O-N 2.83Å
26	R	95.1	Very high	95.2	Very high	63 Å²	63	67.7 Å²	67.7	24%	0.238	32%	0.316	C	S	.	.	H	α-helix	trans	-63	-48.8	176.4	-68.5	-176.2	77.1	-149.9	2.4	111.8	E22 S23 T24 L28 G29 L30 F346 Q347 P363	E22-R26 WeakPolarHBondContact O-CG 3.41Å; E22-R26 PolarHBondContact O-N 2.8Å; S23-R26 PolarHBondContact O-N 3.1Å; T24-R26 VanDerWaalsContact C-N 3.28Å; T24-R26 PolarHBondContact O-N 3.3Å; R26-L28 VanDerWaalsContact C-N 3.25Å; R26-L28 PolarHBondContact O-N 2.99Å; R26-G29 CarbonylContact O-C 3.49Å; R26-G29 PolarHBondContact O-N 2.87Å; R26-L30 PolarHBondContact O-N 3.25Å; R26-F346 PolarHBondContact NH1-O 3.4Å; R26-F346 PolarHBondContact NH2-O 2.98Å; R26-F346 VanDerWaalsContact NH2-O 3.16Å; R26-Q347 HydrophobicContact CB-CB 4.49Å; R26-P363 HydrophobicContact CB-CB 3.67Å; R26-P363 HydrophobicContact CB-CG 4.04Å; R26-P363 HydrophobicContact CG-CB 4.27Å; R26-P363 HydrophobicContact CG-CG 4.48Å; R26-P363 VanDerWaalsContact O-CB 3.24Å; R26-P363 WeakPolarHBondContact O-CB 3.42Å
27	V	95.7	Very high	95.3	Very high	6 Å²	6	66.3 Å²	66.3	4%	0.036	31%	0.31	C	S	.	.	H	α-helix	trans	-59.9	-35.8	178.9	176.5	0	0	0	0	112.2	S23 T24 G29 L30 F307 F309 F342 Q347	S23-V27 WeakPolarHBondContact O-CG2 3.38Å; S23-V27 PolarHBondContact O-N 3.35Å; T24-V27 PolarHBondContact O-N 3.38Å; V27-G29 VanDerWaalsContact C-N 3.28Å; V27-G29 PolarHBondContact O-N 3.32Å; V27-L30 VanDerWaalsContact O-CB 3.24Å; V27-L30 WeakPolarHBondContact O-CB 3.28Å; V27-L30 PolarHBondContact O-N 3.14Å; V27-F307 HydrophobicContact CB-CD2 3.98Å; V27-F307 HydrophobicContact CB-CE2 3.8Å; V27-F307 HydrophobicContact CG1-CB 4.37Å; V27-F307 HydrophobicContact CG1-CD2 3.39Å; V27-F307 HydrophobicContact CG1-CE2 3.65Å; V27-F307 HydrophobicContact CG1-CG 3.86Å; V27-F307 HydrophobicContact CG1-CZ 4.32Å; V27-F307 HydrophobicContact CG2-CD2 4.47Å; V27-F309 HydrophobicContact CG1-CE1 4.27Å; V27-F309 HydrophobicContact CG1-CZ 3.8Å; V27-F342 HydrophobicContact CG2-CE2 4.15Å; V27-F342 HydrophobicContact CG2-CZ 4.32Å; V27-Q347 HydrophobicContact CG2-CB 3.81Å; V27-Q347 HydrophobicContact CG2-CG 4.02Å
28	L	94.8	Very high	95.5	Very high	89 Å²	89	58.9 Å²	58.9	47%	0.466	28%	0.282	S	S	.	.	H	α-helix	trans	-64.3	-31.4	175.2	-68.7	173.3	0	0	0	113	T24 R25 R26 F307 I327	T24-L28 WeakPolarHBondContact O-CG 3.3Å; T24-L28 PolarHBondContact O-N 2.97Å; R25-L28 PolarHBondContact O-N 3.15Å; R26-L28 VanDerWaalsContact C-N 3.25Å; R26-L28 PolarHBondContact O-N 2.99Å; L28-F307 HydrophobicContact CD2-CE1 3.78Å; L28-F307 HydrophobicContact CD2-CZ 3.77Å; L28-F307 HydrophobicContact CG-CZ 4.07Å; L28-I327 HydrophobicContact CD2-CD1 4.34Å; L28-I327 HydrophobicContact CD2-CG1 4.28Å; L28-I327 HydrophobicContact CD2-CG2 3.7Å
29	G	94.6	Very high	95.6	Very high	26 Å²	26	62 Å²	62	27%	0.268	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	18.6	177.3	0	0	0	0	0	114.3	R25 R26 V27 E31 P363 S364	R25-G29 PolarHBondContact O-N 2.83Å; R26-G29 CarbonylContact O-C 3.49Å; R26-G29 PolarHBondContact O-N 2.87Å; V27-G29 VanDerWaalsContact C-N 3.28Å; V27-G29 PolarHBondContact O-N 3.32Å; G29-E31 PolarHBondContact O-N 3.26Å; G29-P363 WeakPolarHBondContact O-CA 3.3Å; G29-S364 PolarHBondContact O-N 2.9Å; G29-S364 PolarHBondContact O-OG 2.82Å
30	L	96.4	Very high	95.7	Very high	12 Å²	12	63.7 Å²	63.7	6%	0.063	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	126.1	-177.4	-172.8	153.3	0	0	0	111.1	R26 V27 L330 L349 W361	R26-L30 PolarHBondContact O-N 3.25Å; V27-L30 VanDerWaalsContact O-CB 3.24Å; V27-L30 WeakPolarHBondContact O-CB 3.28Å; V27-L30 PolarHBondContact O-N 3.14Å; L30-L330 HydrophobicContact CD2-CD1 3.32Å; L30-L330 HydrophobicContact CD2-CD2 3.55Å; L30-L330 HydrophobicContact CD2-CG 4.07Å; L30-L330 VanDerWaalsContact O-CD2 3.31Å; L30-L330 WeakPolarHBondContact O-CD2 3.26Å; L30-L349 HydrophobicContact CD1-CB 4.08Å; L30-L349 HydrophobicContact CD2-CB 4.45Å; L30-W361 HydrophobicContact CD2-CB 3.35Å; L30-W361 HydrophobicContact CD2-CG 4.16Å; L30-W361 HydrophobicContact CG-CB 4.04Å
31	E	96.9	Very high	95.8	Very high	106 Å²	106	61.3 Å²	61.3	50%	0.495	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	170.2	-178.1	68.4	177.1	175.7	0	0	112.1	G29 N33 W361 V362 S364	G29-E31 PolarHBondContact O-N 3.26Å; E31-N33 PolarHBondContact O-N 3.11Å; E31-W361 CarbonylContact O-C 3.45Å; E31-W361 WeakPolarHBondContact O-CA 3.22Å; E31-W361 WeakPolarHBondContact O-CB 3.23Å; E31-V362 PolarHBondContact N-O 2.81Å; E31-V362 PolarHBondContact O-N 3.32Å; E31-S364 WeakPolarHBondContact OE1-CB 3.12Å
32	L	97.7	Very high	96	Very high	51 Å²	51	59.6 Å²	59.6	27%	0.267	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	120.4	177.9	179.5	64.9	0	0	0	109.7	K34 L359 W361	L32-K34 PolarHBondContact O-N 3Å; L32-L359 HydrophobicContact CD1-CB 3.88Å; L32-L359 HydrophobicContact CD1-CD1 3.9Å; L32-L359 HydrophobicContact CD1-CD2 4.33Å; L32-L359 HydrophobicContact CD1-CG 4.25Å; L32-W361 VanDerWaalsContact CA-CE3 3.48Å; L32-W361 HydrophobicContact CB-CE3 3.8Å; L32-W361 HydrophobicContact CB-CH2 4.49Å; L32-W361 HydrophobicContact CB-CZ3 3.66Å; L32-W361 HydrophobicContact CD1-CD2 4.32Å; L32-W361 HydrophobicContact CD1-CE3 4.14Å; L32-W361 HydrophobicContact CD1-CH2 4.18Å; L32-W361 HydrophobicContact CD1-CZ2 4.35Å; L32-W361 HydrophobicContact CD1-CZ3 4.06Å; L32-W361 HydrophobicContact CG-CZ3 4.4Å
33	N	96.5	Very high	96.1	Very high	26 Å²	26	61.2 Å²	61.2	14%	0.139	31%	0.308	C	S	.	.			trans	-75.7	110.9	175.9	-166.9	-19.8	0	0	0	109.8	E31 D35 R36 A360 V362	E31-N33 PolarHBondContact O-N 3.11Å; N33-D35 VanDerWaalsContact C-N 3.32Å; N33-D35 WeakPolarHBondContact OD1-CA 3.4Å; N33-D35 WeakPolarHBondContact OD1-CB 3.46Å; N33-D35 PolarHBondContact OD1-N 3.12Å; N33-R36 HydrophobicContact CB-CB 4.05Å; N33-R36 VanDerWaalsContact CG-CB 3.5Å; N33-R36 VanDerWaalsContact ND2-CB 3.31Å; N33-R36 WeakPolarHBondContact ND2-CB 3.43Å; N33-R36 PolarHBondContact OD1-N 3.27Å; N33-A360 HydrophobicContact CB-CB 4.4Å; N33-A360 WeakPolarHBondContact CB-O 3.49Å; N33-A360 PolarHBondContact N-O 2.94Å; N33-V362 HydrophobicContact CB-CB 4.33Å; N33-V362 HydrophobicContact CB-CG1 3.93Å; N33-V362 HydrophobicContact CB-CG2 3.67Å; N33-V362 VanDerWaalsContact ND2-CG1 3.26Å; N33-V362 WeakPolarHBondContact ND2-CG1 3.48Å; N33-V362 WeakPolarHBondContact ND2-CG2 3.46Å
34	K	95.7	Very high	96.2	Very high	182 Å²	182	61.5 Å²	61.5	79%	0.791	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-15.7	177.4	-63.3	-179.2	-177.5	175.6	0	113.4	L32	L32-K34 PolarHBondContact O-N 3Å
35	D	95.4	Very high	96.4	Very high	93 Å²	93	61.3 Å²	61.3	50%	0.497	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-0.9	-178.2	-64.2	-22.4	0	0	0	112	N33 Y81 Y82	N33-D35 VanDerWaalsContact C-N 3.32Å; N33-D35 WeakPolarHBondContact OD1-CA 3.4Å; N33-D35 WeakPolarHBondContact OD1-CB 3.46Å; N33-D35 PolarHBondContact OD1-N 3.12Å; D35-Y81 CarbonylContact O-C 3.48Å; D35-Y81 WeakPolarHBondContact O-CA 3.49Å; D35-Y81 VanDerWaalsContact O-CB 3.3Å; D35-Y81 WeakPolarHBondContact O-CB 3.43Å; D35-Y82 PolarHBondContact O-N 3.42Å
36	R	96.1	Very high	96.6	Very high	31 Å²	31	56.9 Å²	56.9	12%	0.117	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	111	179.3	-165.1	-176.8	-57.4	176.7	-1.9	111.3	N33 Y82 E348 Y350 A360	N33-R36 HydrophobicContact CB-CB 4.05Å; N33-R36 VanDerWaalsContact CG-CB 3.5Å; N33-R36 VanDerWaalsContact ND2-CB 3.31Å; N33-R36 WeakPolarHBondContact ND2-CB 3.43Å; N33-R36 PolarHBondContact OD1-N 3.27Å; R36-Y82 WeakPolarHBondContact CA-O 3.09Å; R36-Y82 HydrophobicContact CB-CE1 4.42Å; R36-Y82 VanDerWaalsContact CD-OH 3.31Å; R36-Y82 WeakPolarHBondContact CD-OH 3.25Å; R36-Y82 HydrophobicContact CG-CD1 4.26Å; R36-Y82 HydrophobicContact CG-CE1 3.73Å; R36-Y82 HydrophobicContact CG-CE2 4.3Å; R36-Y82 VanDerWaalsContact CZ-OH 3.23Å; R36-Y82 VanDerWaalsContact NE-CE1 3.33Å; R36-Y82 PolarHBondContact NE-OH 2.74Å; R36-E348 IonicContact CZ-OE1 3.83Å; R36-E348 VanDerWaalsContact CZ-OE1 3.3Å; R36-E348 IonicContact CZ-OE2 3.92Å; R36-E348 IonicContact NH1-OE1 3.86Å; R36-E348 PolarHBondContact NH1-OE1 3.29Å; R36-E348 IonicContact NH1-OE2 3.5Å; R36-E348 PolarHBondContact NH1-OE2 3.32Å; R36-E348 IonicContact NH2-OE1 3.32Å; R36-E348 PolarHBondContact NH2-OE1 3.37Å; R36-E348 IonicContact NH2-OE2 2.78Å; R36-Y350 PolarHBondContact NH1-OH 3.44Å; R36-Y350 VanDerWaalsContact NH1-OH 3.13Å; R36-A360 HydrophobicContact CB-CB 4.16Å; R36-A360 HydrophobicContact CG-CB 4.1Å
37	D	95.6	Very high	96.7	Very high	94 Å²	94	54.1 Å²	54.1	50%	0.503	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	159.9	172.9	-75.9	-45.6	0	0	0	111.3	Y82 T83 C84	D37-Y82 PolarHBondContact N-O 2.95Å; D37-T83 HydrophobicContact CB-CG2 3.91Å; D37-T83 CarbonylContact O-C 3.57Å; D37-T83 WeakPolarHBondContact O-CA 3.37Å; D37-C84 PolarHBondContact O-N 2.94Å; D37-C84 PolarHBondContact O-SG 2.61Å; D37-C84 VanDerWaalsContact O-SG 3.41Å
38	V	97.9	Very high	96.9	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.03	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.7	166.2	-176.5	0	0	0	0	108.1	R40 M59 Y71 C84 Y350 I358	V38-R40 PolarHBondContact O-N 3.03Å; V38-M59 HydrophobicContact CG1-CE 4.39Å; V38-Y71 HydrophobicContact CG1-CD1 3.89Å; V38-Y71 HydrophobicContact CG1-CD2 4.47Å; V38-Y71 HydrophobicContact CG1-CE1 3.67Å; V38-Y71 HydrophobicContact CG1-CE2 4.25Å; V38-Y71 HydrophobicContact CG1-CG 4.28Å; V38-C84 HydrophobicContact CB-CB 4.49Å; V38-C84 HydrophobicContact CG1-CB 4.38Å; V38-C84 HydrophobicContact CG2-CB 4.2Å; V38-Y350 HydrophobicContact CG2-CD1 4.21Å; V38-Y350 HydrophobicContact CG2-CE1 4.11Å; V38-I358 HydrophobicContact CB-CB 3.94Å; V38-I358 HydrophobicContact CB-CG2 4.25Å; V38-I358 HydrophobicContact CG1-CB 3.9Å; V38-I358 HydrophobicContact CG1-CD1 4.08Å; V38-I358 HydrophobicContact CG1-CG2 4.2Å; V38-I358 HydrophobicContact CG2-CB 4.2Å; V38-I358 HydrophobicContact CG2-CG2 3.96Å
39	E	97.6	Very high	97.1	Very high	76 Å²	76	50.6 Å²	50.6	36%	0.355	27%	0.267	S	S	.	.			trans	-59.5	130.5	-175.2	-175.3	174.5	-157.3	0	0	112	I41 Y71 T83 C84 K85 A86	E39-I41 HydrophobicContact CG-CD1 4.12Å; E39-I41 HydrophobicContact CG-CG1 4.25Å; E39-I41 PolarHBondContact O-N 2.88Å; E39-Y71 HydrophobicContact CB-CE1 4.14Å; E39-Y71 VanDerWaalsContact O-CE1 3.3Å; E39-Y71 WeakPolarHBondContact O-CE1 3.27Å; E39-Y71 PolarHBondContact O-OH 3.27Å; E39-T83 HydrophobicContact CB-CG2 4.17Å; E39-C84 WeakPolarHBondContact CB-O 3.43Å; E39-C84 PolarHBondContact N-O 2.94Å; E39-K85 WeakPolarHBondContact OE2-CA 3.37Å; E39-A86 PolarHBondContact OE2-N 3.21Å
40	R	97	Very high	97.3	Very high	172 Å²	172	51.2 Å²	51.2	65%	0.649	26%	0.264	S	S	*	.			trans	-87.5	101.6	-172.2	-60.5	-176.7	72.3	-175.1	5.8	110.8	V38	V38-R40 PolarHBondContact O-N 3.03Å
41	I	97.2	Very high	97.3	Very high	60 Å²	60	51.4 Å²	51.4	31%	0.308	27%	0.265	S	S	.	.			trans	-116.5	-37.3	-179.2	-69.1	155.6	0	0	0	112.1	E39 G43 V69 Y71 A86	E39-I41 HydrophobicContact CG-CD1 4.12Å; E39-I41 HydrophobicContact CG-CG1 4.25Å; E39-I41 PolarHBondContact O-N 2.88Å; I41-G43 PolarHBondContact O-N 3.03Å; I41-V69 HydrophobicContact CB-CG1 4.47Å; I41-V69 HydrophobicContact CB-CG2 4.02Å; I41-V69 HydrophobicContact CD1-CG1 3.61Å; I41-V69 HydrophobicContact CG2-CG1 4.49Å; I41-V69 HydrophobicContact CG2-CG2 3.62Å; I41-Y71 HydrophobicContact CD1-CE1 4.19Å; I41-A86 HydrophobicContact CD1-CB 3.1Å
42	H	97.8	Very high	97.3	Very high	12 Å²	12	46.9 Å²	46.9	6%	0.056	24%	0.244	C	C	.	.			trans	-65	127	179.3	-74.4	-65.5	0	0	0	111.9	G44 I46 S61 G63 D65 V67	H42-G44 WeakPolarHBondContact CB-O 3.34Å; H42-I46 HydrophobicContact CB-CD1 4.43Å; H42-I46 HydrophobicContact CB-CG1 4.4Å; H42-S61 PolarHBondContact CD2-OG 3.43Å; H42-S61 WeakPolarHBondContact NE2-CB 3.21Å; H42-S61 PolarHBondContact NE2-OG 2.95Å; H42-G63 PolarHBondContact CE1-N 3.07Å; H42-G63 WeakPolarHBondContact ND1-CA 3.32Å; H42-D65 VanDerWaalsContact CA-OD2 3.28Å; H42-D65 WeakPolarHBondContact CA-OD2 3.35Å; H42-D65 IonicContact ND1-OD1 2.77Å; H42-D65 PolarHBondContact ND1-OD1 3.3Å; H42-D65 IonicContact ND1-OD2 2.77Å; H42-D65 PolarHBondContact ND1-OD2 2.84Å; H42-V67 PolarHBondContact CE1-O 3.33Å
43	G	96.2	Very high	97.1	Very high	68 Å²	68	48.2 Å²	48.2	70%	0.701	26%	0.256	S	S	*	.	S	Bend	trans	-82.6	-18.1	167.8	0	0	0	0	0	112.8	I41 D65 C356	I41-G43 PolarHBondContact O-N 3.03Å; G43-D65 PolarHBondContact N-OD2 2.8Å; G43-C356 PolarHBondContact O-SG 3.27Å
44	G	97.2	Very high	96.8	Very high	13 Å²	13	52 Å²	52	13%	0.134	28%	0.28	C	S	.	.	S	Bend	trans	-108.6	168.9	176.3	0	0	0	0	0	113.4	H42 D65 C356	H42-G44 WeakPolarHBondContact CB-O 3.34Å; G44-D65 PolarHBondContact N-OD2 2.96Å; G44-C356 PolarHBondContact O-SG 3.5Å; G44-C356 VanDerWaalsContact O-SG 3.41Å
45	G	97.8	Very high	96.6	Very high	9 Å²	9	49.3 Å²	49.3	9%	0.093	27%	0.27	C	S	.	.			trans	-61.5	142.1	172.2	0	0	0	0	0	111.8	S64 S353	G45-S64 PolarHBondContact O-N 3.32Å; G45-S64 PolarHBondContact O-OG 3.44Å; G45-S353 WeakPolarHBondContact CA-O 3.3Å
46	I	98.6	Very high	96.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	117	-178.6	-62.3	86.2	0	0	0	108.9	H42 T48 L49 D338 S353 C356 I358	H42-I46 HydrophobicContact CB-CD1 4.43Å; H42-I46 HydrophobicContact CB-CG1 4.4Å; I46-T48 WeakPolarHBondContact CG2-O 3.37Å; I46-L49 HydrophobicContact CG2-CD2 3.84Å; I46-L49 HydrophobicContact CG2-CG 4.1Å; I46-D338 WeakPolarHBondContact O-CB 3.31Å; I46-S353 PolarHBondContact N-O 2.65Å; I46-S353 VanDerWaalsContact N-O 3.14Å; I46-C356 VanDerWaalsContact CD1-C 3.4Å; I46-I358 HydrophobicContact CD1-CG1 4.09Å; I46-I358 HydrophobicContact CG1-CD1 4.26Å; I46-I358 HydrophobicContact CG1-CG1 3.84Å; I46-I358 HydrophobicContact CG2-CG1 4.45Å
47	N	98.5	Very high	96.6	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-20.8	-177.3	-59.7	-48.7	0	0	0	113.1	G62 S64 S101 V102 E103 K293 K296	N47-G62 PolarHBondContact N-O 3.45Å; N47-S64 PolarHBondContact ND2-N 3.3Å; N47-S64 PolarHBondContact ND2-OG 3.02Å; N47-S64 PolarHBondContact OD1-OG 2.77Å; N47-S101 PolarHBondContact ND2-OG 3.48Å; N47-V102 VanDerWaalsContact CB-O 3.3Å; N47-V102 WeakPolarHBondContact CB-O 3.43Å; N47-V102 PolarHBondContact ND2-O 2.77Å; N47-E103 PolarHBondContact ND2-OE1 2.7Å; N47-K293 PolarHBondContact OD1-NZ 2.77Å; N47-K296 WeakPolarHBondContact O-CG 3.48Å
48	T	98.8	Very high	96.6	Very high	8 Å²	8	46.1 Å²	46.1	5%	0.049	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	145.8	-170.6	-172.7	0	0	0	0	110.6	I46 S61 G62 V105	I46-T48 WeakPolarHBondContact CG2-O 3.37Å; T48-S61 WeakPolarHBondContact O-CA 3.23Å; T48-G62 PolarHBondContact O-N 2.79Å; T48-V105 HydrophobicContact CG2-CB 4.1Å; T48-V105 HydrophobicContact CG2-CG1 3.75Å; T48-V105 PolarHBondContact OG1-N 3.41Å
49	L	98.8	Very high	96.7	Very high	13 Å²	13	45.9 Å²	45.9	7%	0.068	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145	171.2	-64	173	0	0	0	107.3	I46 M59 L60 S61 V341 I358	I46-L49 HydrophobicContact CG2-CD2 3.84Å; I46-L49 HydrophobicContact CG2-CG 4.1Å; L49-M59 HydrophobicContact CB-SD 4.44Å; L49-M59 HydrophobicContact CD1-SD 4.46Å; L49-M59 HydrophobicContact CD2-CE 4.27Å; L49-M59 HydrophobicContact CD2-SD 4.14Å; L49-L60 CarbonylContact C-O 3.53Å; L49-L60 VanDerWaalsContact CA-O 3.3Å; L49-L60 WeakPolarHBondContact CA-O 3.4Å; L49-S61 VanDerWaalsContact CD2-CB 3.44Å; L49-V341 HydrophobicContact CB-CB 4.2Å; L49-V341 HydrophobicContact CB-CG1 3.56Å; L49-V341 HydrophobicContact CD1-CG1 4.06Å; L49-V341 HydrophobicContact CG-CG1 4.46Å; L49-I358 HydrophobicContact CD1-CG2 4.01Å; L49-I358 HydrophobicContact CD2-CD1 3.67Å; L49-I358 HydrophobicContact CD2-CG1 4.14Å; L49-I358 HydrophobicContact CD2-CG2 4.44Å
50	D	98.7	Very high	96.7	Very high	39 Å²	39	42.3 Å²	42.3	21%	0.209	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	129.8	171.9	-161.7	44.8	0	0	0	110.7	M59 L60 V105 Q106 W107	D50-M59 CarbonylContact O-C 3.53Å; D50-M59 WeakPolarHBondContact O-CA 3.34Å; D50-L60 PolarHBondContact N-O 2.93Å; D50-L60 PolarHBondContact O-N 2.87Å; D50-V105 HydrophobicContact CB-CG1 4.36Å; D50-V105 WeakPolarHBondContact CB-O 3.25Å; D50-Q106 VanDerWaalsContact OD2-CA 3.31Å; D50-Q106 WeakPolarHBondContact OD2-CA 3.5Å; D50-W107 PolarHBondContact O-NE1 3.46Å; D50-W107 PolarHBondContact OD2-N 3.05Å
51	I	98.2	Very high	96.8	Very high	16 Å²	16	34.1 Å²	34.1	8%	0.082	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	137.9	-177.7	-60.3	177.5	0	0	0	107.9	M59 L73 V341 Q343 Y350	I51-M59 HydrophobicContact CG1-CB 4.3Å; I51-M59 HydrophobicContact CG1-CG 4.02Å; I51-M59 HydrophobicContact CG1-SD 4.23Å; I51-L73 HydrophobicContact CD1-CD1 4.42Å; I51-L73 HydrophobicContact CG2-CD1 4.42Å; I51-V341 HydrophobicContact CB-CG2 4.47Å; I51-V341 HydrophobicContact CD1-CG1 3.79Å; I51-V341 HydrophobicContact CD1-CG2 4.04Å; I51-V341 HydrophobicContact CG1-CG1 3.89Å; I51-V341 HydrophobicContact CG1-CG2 3.94Å; I51-Q343 HydrophobicContact CD1-CB 3.9Å; I51-Y350 HydrophobicContact CD1-CD2 3.91Å; I51-Y350 HydrophobicContact CD1-CE2 4.39Å
52	E	96.5	Very high	96.9	Very high	11 Å²	11	31.3 Å²	31.3	5%	0.051	18%	0.183	C	C	.	.			trans	-51.6	132.4	179.4	-176.9	-160.5	-167.8	0	0	111.4	V54 G56 R57 Y58 W107 T112	E52-V54 PolarHBondContact O-N 3.03Å; E52-G56 WeakPolarHBondContact O-CA 3.41Å; E52-G56 PolarHBondContact O-N 2.91Å; E52-G56 PolarHBondContact OE2-N 2.93Å; E52-R57 PolarHBondContact OE2-N 2.88Å; E52-Y58 WeakPolarHBondContact CB-O 3.34Å; E52-Y58 PolarHBondContact N-O 3.21Å; E52-W107 HydrophobicContact CB-CD2 4.49Å; E52-T112 HydrophobicContact CG-CG2 3.99Å; E52-T112 WeakPolarHBondContact OE1-CB 3.3Å; E52-T112 WeakPolarHBondContact OE1-CG2 3.23Å; E52-T112 PolarHBondContact OE1-OG1 3.36Å
53	P	92.4	Very high	96.9	Very high	79 Å²	79	30.7 Å²	30.7	51%	0.513	18%	0.18	S	C	.	.	S	Bend	trans	-74.4	-23.2	-174.4	28	-35.2	0	0	0	114.8
54	V	90.8	Very high	97	Very high	107 Å²	107	29.7 Å²	29.7	65%	0.648	16%	0.162	S	C	*	.	S	Bend	trans	-88.3	-59	-169.8	126	0	0	0	0	112.8	E52	E52-V54 PolarHBondContact O-N 3.03Å
55	E	91.8	Very high	97	Very high	124 Å²	124	30.5 Å²	30.5	58%	0.579	16%	0.164	S	C	*	.	S	Bend	trans	-107.8	-20.5	179.2	-74.3	-179.3	-175.9	0	0	111.8	R57 N345	E55-R57 HydrophobicContact CB-CB 4.38Å; E55-R57 PolarHBondContact O-N 2.99Å; E55-N345 PolarHBondContact O-ND2 3.43Å
56	G	94.5	Very high	97	Very high	7 Å²	7	30.1 Å²	30.1	7%	0.072	16%	0.159	C	C	.	.			trans	67.8	21.2	-177.3	0	0	0	0	0	113.2	E52 Q343	E52-G56 WeakPolarHBondContact O-CA 3.41Å; E52-G56 PolarHBondContact O-N 2.91Å; E52-G56 PolarHBondContact OE2-N 2.93Å; G56-Q343 VanDerWaalsContact CA-NE2 3.33Å; G56-Q343 PolarHBondContact O-NE2 3.39Å
57	R	95.8	Very high	97	Very high	84 Å²	84	30.6 Å²	30.6	32%	0.317	16%	0.162	S	C	.	.			trans	-79.3	-42.5	-178.4	171	167.8	-177.7	-170.4	-3.5	111.5	E52 E55 D72 L73 E74	E52-R57 PolarHBondContact OE2-N 2.88Å; E55-R57 HydrophobicContact CB-CB 4.38Å; E55-R57 PolarHBondContact O-N 2.99Å; R57-D72 WeakPolarHBondContact CG-OD1 3.36Å; R57-D72 IonicContact CZ-OD2 3.37Å; R57-D72 IonicContact NE-OD1 2.91Å; R57-D72 PolarHBondContact NE-OD1 2.9Å; R57-D72 IonicContact NE-OD2 3.66Å; R57-D72 PolarHBondContact NE-OD2 3.34Å; R57-D72 IonicContact NH2-OD1 2.73Å; R57-D72 IonicContact NH2-OD2 3.72Å; R57-D72 PolarHBondContact NH2-OD2 2.99Å; R57-L73 VanDerWaalsContact O-CB 3.28Å; R57-L73 WeakPolarHBondContact O-CB 3.49Å; R57-L73 WeakPolarHBondContact O-CG 3.33Å; R57-L73 PolarHBondContact O-N 3.36Å; R57-E74 HydrophobicContact CB-CG 4.4Å; R57-E74 HydrophobicContact CG-CG 3.77Å
58	Y	97.5	Very high	97	Very high	61 Å²	61	30.5 Å²	30.5	24%	0.239	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	145.4	-175.1	-58.1	-69.9	0	0	0	112	E52 Y71 D72 V87	E52-Y58 WeakPolarHBondContact CB-O 3.34Å; E52-Y58 PolarHBondContact N-O 3.21Å; Y58-Y71 VanDerWaalsContact CA-O 3.27Å; Y58-Y71 WeakPolarHBondContact CA-O 3.48Å; Y58-D72 HydrophobicContact CD1-CB 4.43Å; Y58-D72 HydrophobicContact CE1-CB 4.33Å; Y58-V87 HydrophobicContact CD1-CG2 4.34Å; Y58-V87 HydrophobicContact CE1-CG2 4.18Å
59	M	98.5	Very high	97	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.6	176.7	179.9	179.2	70.5	0	0	110.9	V38 L49 D50 I51 L70 Y71 L73 Y350 I358	V38-M59 HydrophobicContact CG1-CE 4.39Å; L49-M59 HydrophobicContact CB-SD 4.44Å; L49-M59 HydrophobicContact CD1-SD 4.46Å; L49-M59 HydrophobicContact CD2-CE 4.27Å; L49-M59 HydrophobicContact CD2-SD 4.14Å; D50-M59 CarbonylContact O-C 3.53Å; D50-M59 WeakPolarHBondContact O-CA 3.34Å; I51-M59 HydrophobicContact CG1-CB 4.3Å; I51-M59 HydrophobicContact CG1-CG 4.02Å; I51-M59 HydrophobicContact CG1-SD 4.23Å; M59-L70 CarbonylContact O-C 3.59Å; M59-L70 WeakPolarHBondContact O-CA 3.49Å; M59-Y71 HydrophobicContact CE-CD2 3.83Å; M59-Y71 HydrophobicContact CE-CE2 4.44Å; M59-Y71 HydrophobicContact CE-CG 4.31Å; M59-Y71 PolarHBondContact N-O 3.05Å; M59-Y71 PolarHBondContact O-N 2.72Å; M59-L73 HydrophobicContact CB-CD1 3.94Å; M59-L73 HydrophobicContact CB-CD2 3.93Å; M59-L73 HydrophobicContact CB-CG 3.99Å; M59-L73 HydrophobicContact CE-CD2 3.94Å; M59-L73 HydrophobicContact SD-CD2 4.31Å; M59-Y350 HydrophobicContact CE-CD1 4.29Å; M59-Y350 HydrophobicContact SD-CD1 4.26Å; M59-Y350 HydrophobicContact SD-CG 4.05Å; M59-I358 HydrophobicContact CE-CD1 4.34Å; M59-I358 HydrophobicContact CE-CG2 4.13Å
60	L	98.7	Very high	97	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	145.9	170	-72.3	163.7	0	0	0	110.2	L49 D50 I68 V69 L70 V105 W107 F115	L49-L60 CarbonylContact C-O 3.53Å; L49-L60 VanDerWaalsContact CA-O 3.3Å; L49-L60 WeakPolarHBondContact CA-O 3.4Å; D50-L60 PolarHBondContact N-O 2.93Å; D50-L60 PolarHBondContact O-N 2.87Å; L60-I68 HydrophobicContact CD2-CG2 4.13Å; L60-V69 CarbonylContact C-O 3.57Å; L60-V69 VanDerWaalsContact CA-O 3.3Å; L60-V69 WeakPolarHBondContact CA-O 3.41Å; L60-L70 HydrophobicContact CD2-CB 4.12Å; L60-L70 HydrophobicContact CD2-CD1 3.87Å; L60-L70 HydrophobicContact CG-CD1 4.15Å; L60-V105 HydrophobicContact CB-CB 4.41Å; L60-V105 HydrophobicContact CB-CG1 3.73Å; L60-V105 HydrophobicContact CB-CG2 3.74Å; L60-V105 HydrophobicContact CD1-CG2 3.87Å; L60-V105 HydrophobicContact CD2-CG2 4.42Å; L60-V105 HydrophobicContact CG-CG2 4.22Å; L60-W107 HydrophobicContact CD1-CD2 3.65Å; L60-W107 VanDerWaalsContact CD1-CE2 3.49Å; L60-W107 HydrophobicContact CD1-CE3 4.19Å; L60-W107 HydrophobicContact CD1-CG 3.95Å; L60-W107 HydrophobicContact CD1-CH2 4.45Å; L60-W107 HydrophobicContact CD1-CZ2 3.93Å; L60-W107 HydrophobicContact CD2-CZ2 4.49Å; L60-W107 HydrophobicContact CG-CD2 4.36Å; L60-W107 HydrophobicContact CG-CZ2 3.78Å; L60-F115 HydrophobicContact CD1-CB 3.4Å; L60-F115 VanDerWaalsContact CD1-CB 3.4Å; L60-F115 HydrophobicContact CD1-CD1 4.12Å; L60-F115 HydrophobicContact CD1-CD2 3.81Å; L60-F115 HydrophobicContact CD1-CG 3.52Å; L60-F115 HydrophobicContact CD2-CD1 4.29Å; L60-F115 HydrophobicContact CD2-CD2 4.25Å; L60-F115 HydrophobicContact CD2-CE1 4.33Å; L60-F115 HydrophobicContact CD2-CE2 4.29Å; L60-F115 HydrophobicContact CD2-CG 4.26Å; L60-F115 HydrophobicContact CD2-CZ 4.33Å
61	S	98.8	Very high	97	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.8	169.8	68.1	0	0	0	0	111.6	H42 T48 L49 I68 V69 Y71	H42-S61 PolarHBondContact CD2-OG 3.43Å; H42-S61 WeakPolarHBondContact NE2-CB 3.21Å; H42-S61 PolarHBondContact NE2-OG 2.95Å; T48-S61 WeakPolarHBondContact O-CA 3.23Å; L49-S61 VanDerWaalsContact CD2-CB 3.44Å; S61-I68 VanDerWaalsContact O-CA 3.29Å; S61-I68 WeakPolarHBondContact O-CA 3.23Å; S61-V69 PolarHBondContact N-O 3.39Å; S61-V69 PolarHBondContact O-N 2.91Å; S61-V69 WeakPolarHBondContact OG-CB 3.39Å; S61-Y71 VanDerWaalsContact OG-CE2 3.3Å; S61-Y71 WeakPolarHBondContact OG-CE2 3.22Å
62	G	98.6	Very high	96.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.3	175.2	0	0	0	0	0	111.2	N47 T48	N47-G62 PolarHBondContact N-O 3.45Å; T48-G62 PolarHBondContact O-N 2.79Å
63	G	98.2	Very high	96.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	160.1	-175.3	0	0	0	0	0	114.3	H42 D65 G66 V67 V102	H42-G63 PolarHBondContact CE1-N 3.07Å; H42-G63 WeakPolarHBondContact ND1-CA 3.32Å; G63-D65 VanDerWaalsContact C-OD1 3.27Å; G63-D65 VanDerWaalsContact CA-OD1 3.28Å; G63-D65 WeakPolarHBondContact CA-OD1 3.47Å; G63-D65 PolarHBondContact O-N 3.23Å; G63-D65 VanDerWaalsContact O-N 3.16Å; G63-G66 PolarHBondContact O-N 3.23Å; G63-V67 PolarHBondContact N-O 2.91Å; G63-V67 VanDerWaalsContact N-O 3.12Å; G63-V102 PolarHBondContact O-N 2.92Å
64	S	97.9	Very high	97	Very high	46 Å²	46	30 Å²	30	32%	0.322	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-11.8	173.8	-61.6	0	0	0	0	113.7	G45 N47 G66 S101	G45-S64 PolarHBondContact O-N 3.32Å; G45-S64 PolarHBondContact O-OG 3.44Å; N47-S64 PolarHBondContact ND2-N 3.3Å; N47-S64 PolarHBondContact ND2-OG 3.02Å; N47-S64 PolarHBondContact OD1-OG 2.77Å; S64-G66 VanDerWaalsContact C-N 3.35Å; S64-S101 WeakPolarHBondContact CA-OG 3.49Å
65	D	97.7	Very high	97.1	Very high	31 Å²	31	27.3 Å²	27.3	17%	0.166	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-2.9	177.6	53.1	-2.1	0	0	0	114.4	H42 G43 G44 G63 V67	H42-D65 VanDerWaalsContact CA-OD2 3.28Å; H42-D65 WeakPolarHBondContact CA-OD2 3.35Å; H42-D65 IonicContact ND1-OD1 2.77Å; H42-D65 PolarHBondContact ND1-OD1 3.3Å; H42-D65 IonicContact ND1-OD2 2.77Å; H42-D65 PolarHBondContact ND1-OD2 2.84Å; G43-D65 PolarHBondContact N-OD2 2.8Å; G44-D65 PolarHBondContact N-OD2 2.96Å; G63-D65 VanDerWaalsContact C-OD1 3.27Å; G63-D65 VanDerWaalsContact CA-OD1 3.28Å; G63-D65 WeakPolarHBondContact CA-OD1 3.47Å; G63-D65 PolarHBondContact O-N 3.23Å; G63-D65 VanDerWaalsContact O-N 3.16Å; D65-V67 VanDerWaalsContact C-N 3.33Å; D65-V67 HydrophobicContact CB-CG2 4.29Å; D65-V67 WeakPolarHBondContact OD1-CB 3.28Å; D65-V67 PolarHBondContact OD1-N 2.94Å
66	G	97.8	Very high	96.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	83.7	9.4	-176.5	0	0	0	0	0	113.9	G63 S64 H98 Y100	G63-G66 PolarHBondContact O-N 3.23Å; S64-G66 VanDerWaalsContact C-N 3.35Å; G66-H98 WeakPolarHBondContact O-CB 3.22Å; G66-H98 PolarHBondContact O-N 2.73Å; G66-Y100 VanDerWaalsContact CA-O 3.25Å; G66-Y100 WeakPolarHBondContact CA-O 3.47Å
67	V	98.4	Very high	96.7	Very high	11 Å²	11	29.6 Å²	29.6	7%	0.067	16%	0.163	C	C	.	.			trans	-94.5	147.5	-177.3	178.7	0	0	0	0	110.2	H42 G63 D65 V69	H42-V67 PolarHBondContact CE1-O 3.33Å; G63-V67 PolarHBondContact N-O 2.91Å; G63-V67 VanDerWaalsContact N-O 3.12Å; D65-V67 VanDerWaalsContact C-N 3.33Å; D65-V67 HydrophobicContact CB-CG2 4.29Å; D65-V67 WeakPolarHBondContact OD1-CB 3.28Å; D65-V67 PolarHBondContact OD1-N 2.94Å; V67-V69 HydrophobicContact CG1-CG2 3.74Å
68	I	98.6	Very high	96.4	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.7	167.6	-52.7	161.6	0	0	0	107.3	L60 S61 S89 I90 V102 V105 F115 S117 W127	L60-I68 HydrophobicContact CD2-CG2 4.13Å; S61-I68 VanDerWaalsContact O-CA 3.29Å; S61-I68 WeakPolarHBondContact O-CA 3.23Å; I68-S89 CarbonylContact O-C 3.59Å; I68-S89 WeakPolarHBondContact O-CA 3.32Å; I68-I90 HydrophobicContact CB-CB 4.09Å; I68-I90 HydrophobicContact CB-CG1 4.16Å; I68-I90 HydrophobicContact CD1-CB 4.49Å; I68-I90 HydrophobicContact CD1-CG1 4.39Å; I68-I90 PolarHBondContact N-O 2.79Å; I68-I90 PolarHBondContact O-N 3.16Å; I68-V102 HydrophobicContact CG1-CG1 4.42Å; I68-V102 HydrophobicContact CG1-CG2 4.26Å; I68-V105 HydrophobicContact CG2-CG2 4.04Å; I68-F115 HydrophobicContact CD1-CE2 4.18Å; I68-F115 HydrophobicContact CG2-CE2 3.9Å; I68-F115 HydrophobicContact CG2-CZ 4.31Å; I68-S117 VanDerWaalsContact CD1-CB 3.41Å; I68-S117 WeakPolarHBondContact CD1-OG 3.37Å; I68-W127 HydrophobicContact CD1-CZ2 3.92Å
69	V	98.5	Very high	96.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.9	178.9	-169.2	0	0	0	0	109.5	I41 L60 S61 V67 Y71 A86	I41-V69 HydrophobicContact CB-CG1 4.47Å; I41-V69 HydrophobicContact CB-CG2 4.02Å; I41-V69 HydrophobicContact CD1-CG1 3.61Å; I41-V69 HydrophobicContact CG2-CG1 4.49Å; I41-V69 HydrophobicContact CG2-CG2 3.62Å; L60-V69 CarbonylContact C-O 3.57Å; L60-V69 VanDerWaalsContact CA-O 3.3Å; L60-V69 WeakPolarHBondContact CA-O 3.41Å; S61-V69 PolarHBondContact N-O 3.39Å; S61-V69 PolarHBondContact O-N 2.91Å; S61-V69 WeakPolarHBondContact OG-CB 3.39Å; V67-V69 HydrophobicContact CG1-CG2 3.74Å; V69-Y71 HydrophobicContact CB-CD2 4.41Å; V69-Y71 HydrophobicContact CB-CE2 3.76Å; V69-Y71 HydrophobicContact CG1-CD1 4.35Å; V69-Y71 HydrophobicContact CG1-CD2 4.13Å; V69-Y71 HydrophobicContact CG1-CE1 3.86Å; V69-Y71 HydrophobicContact CG1-CE2 3.64Å; V69-Y71 HydrophobicContact CG1-CG 4.48Å; V69-Y71 VanDerWaalsContact CG1-CZ 3.48Å; V69-A86 HydrophobicContact CG1-CB 3.52Å
70	L	98.3	Very high	95.8	Very high	16 Å²	16	44.1 Å²	44.1	8%	0.084	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.2	172.7	176.5	64.1	0	0	0	109.2	M59 L60 A86 V87 C88 W107	M59-L70 CarbonylContact O-C 3.59Å; M59-L70 WeakPolarHBondContact O-CA 3.49Å; L60-L70 HydrophobicContact CD2-CB 4.12Å; L60-L70 HydrophobicContact CD2-CD1 3.87Å; L60-L70 HydrophobicContact CG-CD1 4.15Å; L70-A86 CarbonylContact O-C 3.44Å; L70-A86 WeakPolarHBondContact O-CA 3.38Å; L70-V87 HydrophobicContact CD2-CB 4.3Å; L70-V87 HydrophobicContact CG-CB 4.32Å; L70-V87 PolarHBondContact O-N 2.86Å; L70-C88 WeakPolarHBondContact CB-SG 3.45Å; L70-C88 WeakPolarHBondContact CD2-SG 3.42Å; L70-C88 PolarHBondContact N-O 2.76Å; L70-C88 PolarHBondContact O-N 3.16Å; L70-W107 HydrophobicContact CD1-CH2 3.58Å; L70-W107 HydrophobicContact CD1-CZ2 3.34Å
71	Y	98.4	Very high	95.6	Very high	3 Å²	3	50.4 Å²	50.4	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	145.5	-180	-63.5	-81.8	0	0	0	112.3	V38 E39 I41 Y58 M59 S61 V69 K85 A86 I358	V38-Y71 HydrophobicContact CG1-CD1 3.89Å; V38-Y71 HydrophobicContact CG1-CD2 4.47Å; V38-Y71 HydrophobicContact CG1-CE1 3.67Å; V38-Y71 HydrophobicContact CG1-CE2 4.25Å; V38-Y71 HydrophobicContact CG1-CG 4.28Å; E39-Y71 HydrophobicContact CB-CE1 4.14Å; E39-Y71 VanDerWaalsContact O-CE1 3.3Å; E39-Y71 WeakPolarHBondContact O-CE1 3.27Å; E39-Y71 PolarHBondContact O-OH 3.27Å; I41-Y71 HydrophobicContact CD1-CE1 4.19Å; Y58-Y71 VanDerWaalsContact CA-O 3.27Å; Y58-Y71 WeakPolarHBondContact CA-O 3.48Å; M59-Y71 HydrophobicContact CE-CD2 3.83Å; M59-Y71 HydrophobicContact CE-CE2 4.44Å; M59-Y71 HydrophobicContact CE-CG 4.31Å; M59-Y71 PolarHBondContact N-O 3.05Å; M59-Y71 PolarHBondContact O-N 2.72Å; S61-Y71 VanDerWaalsContact OG-CE2 3.3Å; S61-Y71 WeakPolarHBondContact OG-CE2 3.22Å; V69-Y71 HydrophobicContact CB-CD2 4.41Å; V69-Y71 HydrophobicContact CB-CE2 3.76Å; V69-Y71 HydrophobicContact CG1-CD1 4.35Å; V69-Y71 HydrophobicContact CG1-CD2 4.13Å; V69-Y71 HydrophobicContact CG1-CE1 3.86Å; V69-Y71 HydrophobicContact CG1-CE2 3.64Å; V69-Y71 HydrophobicContact CG1-CG 4.48Å; V69-Y71 VanDerWaalsContact CG1-CZ 3.48Å; Y71-K85 CarbonylContact C-O 3.52Å; Y71-K85 WeakPolarHBondContact CA-O 3.39Å; Y71-A86 HydrophobicContact CD1-CB 4.1Å; Y71-A86 HydrophobicContact CE1-CB 4.1Å; Y71-I358 HydrophobicContact CE2-CD1 3.72Å
72	D	97.4	Very high	95.6	Very high	32 Å²	32	51.8 Å²	51.8	17%	0.171	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	120.6	160.3	-165.3	-12.3	0	0	0	108.1	R57 Y58 E74 C84 K85 V87	R57-D72 WeakPolarHBondContact CG-OD1 3.36Å; R57-D72 IonicContact CZ-OD2 3.37Å; R57-D72 IonicContact NE-OD1 2.91Å; R57-D72 PolarHBondContact NE-OD1 2.9Å; R57-D72 IonicContact NE-OD2 3.66Å; R57-D72 PolarHBondContact NE-OD2 3.34Å; R57-D72 IonicContact NH2-OD1 2.73Å; R57-D72 IonicContact NH2-OD2 3.72Å; R57-D72 PolarHBondContact NH2-OD2 2.99Å; Y58-D72 HydrophobicContact CD1-CB 4.43Å; Y58-D72 HydrophobicContact CE1-CB 4.33Å; D72-E74 WeakPolarHBondContact OD1-CB 3.49Å; D72-E74 PolarHBondContact OD1-N 3.47Å; D72-E74 VanDerWaalsContact OD1-N 3.1Å; D72-C84 WeakPolarHBondContact O-CA 3.41Å; D72-C84 WeakPolarHBondContact O-CB 3.13Å; D72-K85 PolarHBondContact N-O 2.85Å; D72-V87 HydrophobicContact CB-CG2 3.71Å
73	L	97	Very high	95.5	Very high	9 Å²	9	54.9 Å²	54.9	5%	0.047	29%	0.285	C	S	.	.			trans	-87.9	-7.6	-179.6	-59.4	-176.2	0	0	0	112.8	I51 R57 M59 Y82 C84 Y350	I51-L73 HydrophobicContact CD1-CD1 4.42Å; I51-L73 HydrophobicContact CG2-CD1 4.42Å; R57-L73 VanDerWaalsContact O-CB 3.28Å; R57-L73 WeakPolarHBondContact O-CB 3.49Å; R57-L73 WeakPolarHBondContact O-CG 3.33Å; R57-L73 PolarHBondContact O-N 3.36Å; M59-L73 HydrophobicContact CB-CD1 3.94Å; M59-L73 HydrophobicContact CB-CD2 3.93Å; M59-L73 HydrophobicContact CB-CG 3.99Å; M59-L73 HydrophobicContact CE-CD2 3.94Å; M59-L73 HydrophobicContact SD-CD2 4.31Å; L73-Y82 WeakPolarHBondContact O-CE2 3.31Å; L73-Y82 PolarHBondContact O-OH 3.43Å; L73-C84 HydrophobicContact CD2-CB 4.1Å; L73-Y350 HydrophobicContact CD1-CE2 3.94Å; L73-Y350 HydrophobicContact CD2-CE1 3.93Å
74	E	94.3	Very high	95.4	Very high	96 Å²	96	54.9 Å²	54.9	45%	0.449	29%	0.285	S	S	.	.			trans	-82.2	146.6	-175.4	-72.4	-71.2	179	0	0	113	R57 D72	R57-E74 HydrophobicContact CB-CG 4.4Å; R57-E74 HydrophobicContact CG-CG 3.77Å; D72-E74 WeakPolarHBondContact OD1-CB 3.49Å; D72-E74 PolarHBondContact OD1-N 3.47Å; D72-E74 VanDerWaalsContact OD1-N 3.1Å
75	N	93	Very high	95.4	Very high	50 Å²	50	59.3 Å²	59.3	27%	0.267	30%	0.299	S	S	.	.			trans	-96.4	107.2	173.7	-172.4	7.5	0	0	0	110.3	S77 Q79 Y82	N75-S77 WeakPolarHBondContact OD1-CA 3.28Å; N75-S77 VanDerWaalsContact OD1-CB 3.27Å; N75-S77 WeakPolarHBondContact OD1-CB 3.5Å; N75-S77 PolarHBondContact OD1-N 2.82Å; N75-S77 PolarHBondContact OD1-OG 3.17Å; N75-Q79 PolarHBondContact ND2-O 3.49Å; N75-Y82 HydrophobicContact CB-CD1 3.57Å; N75-Y82 HydrophobicContact CB-CD2 3.78Å; N75-Y82 HydrophobicContact CB-CE1 3.71Å; N75-Y82 HydrophobicContact CB-CE2 3.92Å; N75-Y82 HydrophobicContact CB-CG 3.6Å; N75-Y82 VanDerWaalsContact CG-CG 3.46Å; N75-Y82 WeakPolarHBondContact OD1-CB 3.33Å
76	S	87.5	Confident	95.4	Very high	125 Å²	125	59.1 Å²	59.1	87%	0.874	30%	0.301	S	S	*	.			trans	-97.5	0.4	171	55.4	0	0	0	0	113.2
77	S	90.1	Very high	95.3	Very high	55 Å²	55	63.2 Å²	63.2	39%	0.385	33%	0.326	S	S	.	.	S	Bend	trans	-77.3	154.3	176.1	84.9	0	0	0	0	110.6	N75 Q79	N75-S77 WeakPolarHBondContact OD1-CA 3.28Å; N75-S77 VanDerWaalsContact OD1-CB 3.27Å; N75-S77 WeakPolarHBondContact OD1-CB 3.5Å; N75-S77 PolarHBondContact OD1-N 2.82Å; N75-S77 PolarHBondContact OD1-OG 3.17Å; S77-Q79 PolarHBondContact O-N 3.44Å; S77-Q79 PolarHBondContact OG-N 2.91Å; S77-Q79 PolarHBondContact OG-O 2.8Å
78	R	89.5	Confident	95.2	Very high	252 Å²	252	64.2 Å²	64.2	95%	0.951	33%	0.333	S	S	*	.	S	Bend	trans	-76.9	6.7	171.5	-69.6	-173.6	-179.2	174.6	0.4	113.2
79	Q	93.6	Very high	95	Very high	99 Å²	99	66.1 Å²	66.1	46%	0.463	35%	0.346	S	S	.	.	S	Bend	trans	-103.1	153.3	-179.6	-61.3	-59.9	-43.4	0	0	110	N75 S77 Y81	N75-Q79 PolarHBondContact ND2-O 3.49Å; S77-Q79 PolarHBondContact O-N 3.44Å; S77-Q79 PolarHBondContact OG-N 2.91Å; S77-Q79 PolarHBondContact OG-O 2.8Å; Q79-Y81 VanDerWaalsContact C-N 3.32Å; Q79-Y81 HydrophobicContact CB-CD1 4.13Å; Q79-Y81 HydrophobicContact CB-CE1 3.9Å; Q79-Y81 HydrophobicContact CB-CE2 4.33Å; Q79-Y81 HydrophobicContact CB-CG 4.43Å; Q79-Y81 HydrophobicContact CG-CE1 4.13Å; Q79-Y81 HydrophobicContact CG-CE2 4.44Å
80	S	90.3	Very high	95	Very high	98 Å²	98	66.2 Å²	66.2	69%	0.685	35%	0.347	S	S	*	.	S	Bend	trans	-72.4	-28.6	174.3	53.2	0	0	0	0	112.6
81	Y	94.5	Very high	94.8	Very high	133 Å²	133	66.3 Å²	66.3	52%	0.522	35%	0.352	S	S	.	.			trans	-92.8	143.5	174.7	60.9	-89.7	0	0	0	111.3	D35 Q79	D35-Y81 CarbonylContact O-C 3.48Å; D35-Y81 WeakPolarHBondContact O-CA 3.49Å; D35-Y81 VanDerWaalsContact O-CB 3.3Å; D35-Y81 WeakPolarHBondContact O-CB 3.43Å; Q79-Y81 VanDerWaalsContact C-N 3.32Å; Q79-Y81 HydrophobicContact CB-CD1 4.13Å; Q79-Y81 HydrophobicContact CB-CE1 3.9Å; Q79-Y81 HydrophobicContact CB-CE2 4.33Å; Q79-Y81 HydrophobicContact CB-CG 4.43Å; Q79-Y81 HydrophobicContact CG-CE1 4.13Å; Q79-Y81 HydrophobicContact CG-CE2 4.44Å
82	Y	97	Very high	94.5	Very high	30 Å²	30	75.6 Å²	75.6	12%	0.118	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	164.6	179.6	74.2	-73.2	0	0	0	112.9	D35 R36 D37 L73 N75	D35-Y82 PolarHBondContact O-N 3.42Å; R36-Y82 WeakPolarHBondContact CA-O 3.09Å; R36-Y82 HydrophobicContact CB-CE1 4.42Å; R36-Y82 VanDerWaalsContact CD-OH 3.31Å; R36-Y82 WeakPolarHBondContact CD-OH 3.25Å; R36-Y82 HydrophobicContact CG-CD1 4.26Å; R36-Y82 HydrophobicContact CG-CE1 3.73Å; R36-Y82 HydrophobicContact CG-CE2 4.3Å; R36-Y82 VanDerWaalsContact CZ-OH 3.23Å; R36-Y82 VanDerWaalsContact NE-CE1 3.33Å; R36-Y82 PolarHBondContact NE-OH 2.74Å; D37-Y82 PolarHBondContact N-O 2.95Å; L73-Y82 WeakPolarHBondContact O-CE2 3.31Å; L73-Y82 PolarHBondContact O-OH 3.43Å; N75-Y82 HydrophobicContact CB-CD1 3.57Å; N75-Y82 HydrophobicContact CB-CD2 3.78Å; N75-Y82 HydrophobicContact CB-CE1 3.71Å; N75-Y82 HydrophobicContact CB-CE2 3.92Å; N75-Y82 HydrophobicContact CB-CG 3.6Å; N75-Y82 VanDerWaalsContact CG-CG 3.46Å; N75-Y82 WeakPolarHBondContact OD1-CB 3.33Å
83	T	96.9	Very high	94.3	Very high	64 Å²	64	81.8 Å²	81.8	39%	0.393	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.9	173.5	-52.4	0	0	0	0	109.1	D37 E39 K85	D37-T83 HydrophobicContact CB-CG2 3.91Å; D37-T83 CarbonylContact O-C 3.57Å; D37-T83 WeakPolarHBondContact O-CA 3.37Å; E39-T83 HydrophobicContact CB-CG2 4.17Å; T83-K85 PolarHBondContact O-N 3.42Å; T83-K85 VanDerWaalsContact O-N 3.12Å
84	C	97.4	Very high	94.3	Very high	0 Å²	0	83.1 Å²	83.1	0%	0	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	108.4	170.2	-50.5	0	0	0	0	107.9	D37 V38 E39 D72 L73	D37-C84 PolarHBondContact O-N 2.94Å; D37-C84 PolarHBondContact O-SG 2.61Å; D37-C84 VanDerWaalsContact O-SG 3.41Å; V38-C84 HydrophobicContact CB-CB 4.49Å; V38-C84 HydrophobicContact CG1-CB 4.38Å; V38-C84 HydrophobicContact CG2-CB 4.2Å; E39-C84 WeakPolarHBondContact CB-O 3.43Å; E39-C84 PolarHBondContact N-O 2.94Å; D72-C84 WeakPolarHBondContact O-CA 3.41Å; D72-C84 WeakPolarHBondContact O-CB 3.13Å; L73-C84 HydrophobicContact CD2-CB 4.1Å
85	K	97.3	Very high	94.3	Very high	140 Å²	140	84.2 Å²	84.2	61%	0.609	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	148	-175.6	-73.8	-164	175	-176.1	0	111.5	E39 Y71 D72 T83 V87	E39-K85 WeakPolarHBondContact OE2-CA 3.37Å; Y71-K85 CarbonylContact C-O 3.52Å; Y71-K85 WeakPolarHBondContact CA-O 3.39Å; D72-K85 PolarHBondContact N-O 2.85Å; T83-K85 PolarHBondContact O-N 3.42Å; T83-K85 VanDerWaalsContact O-N 3.12Å; K85-V87 PolarHBondContact O-N 3.34Å
86	A	97.1	Very high	94.5	Very high	27 Å²	27	84.1 Å²	84.1	22%	0.223	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	124.5	168.2	0	0	0	0	0	110.7	E39 I41 V69 L70 Y71	E39-A86 PolarHBondContact OE2-N 3.21Å; I41-A86 HydrophobicContact CD1-CB 3.1Å; V69-A86 HydrophobicContact CG1-CB 3.52Å; L70-A86 CarbonylContact O-C 3.44Å; L70-A86 WeakPolarHBondContact O-CA 3.38Å; Y71-A86 HydrophobicContact CD1-CB 4.1Å; Y71-A86 HydrophobicContact CE1-CB 4.1Å
87	V	96.3	Very high	95	Very high	86 Å²	86	79.8 Å²	79.8	52%	0.521	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-44	171.4	-177.4	0	0	0	0	109.6	Y58 L70 D72 K85	Y58-V87 HydrophobicContact CD1-CG2 4.34Å; Y58-V87 HydrophobicContact CE1-CG2 4.18Å; L70-V87 HydrophobicContact CD2-CB 4.3Å; L70-V87 HydrophobicContact CG-CB 4.32Å; L70-V87 PolarHBondContact O-N 2.86Å; D72-V87 HydrophobicContact CB-CG2 3.71Å; K85-V87 PolarHBondContact O-N 3.34Å
88	C	95.3	Very high	95.4	Very high	31 Å²	31	77.3 Å²	77.3	21%	0.209	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	164.9	175	64.7	0	0	0	0	111.4	L70 L132	L70-C88 WeakPolarHBondContact CB-SG 3.45Å; L70-C88 WeakPolarHBondContact CD2-SG 3.42Å; L70-C88 PolarHBondContact N-O 2.76Å; L70-C88 PolarHBondContact O-N 3.16Å; C88-L132 HydrophobicContact CB-CD1 4.18Å; C88-L132 HydrophobicContact CB-CD2 3.97Å; C88-L132 VanDerWaalsContact SG-CD1 3.59Å
89	S	96.3	Very high	95.7	Very high	42 Å²	42	74.6 Å²	74.6	29%	0.294	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	128.1	178.9	179.3	0	0	0	0	110	I68 G91	I68-S89 CarbonylContact O-C 3.59Å; I68-S89 WeakPolarHBondContact O-CA 3.32Å; S89-G91 PolarHBondContact O-N 3.18Å
90	I	97.2	Very high	95.9	Very high	2 Å²	2	76.1 Å²	76.1	1%	0.01	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	77.9	166.6	-53.4	-61.3	0	0	0	107.4	I68 H94 V97 W127 L132	I68-I90 HydrophobicContact CB-CB 4.09Å; I68-I90 HydrophobicContact CB-CG1 4.16Å; I68-I90 HydrophobicContact CD1-CB 4.49Å; I68-I90 HydrophobicContact CD1-CG1 4.39Å; I68-I90 PolarHBondContact N-O 2.79Å; I68-I90 PolarHBondContact O-N 3.16Å; I90-H94 HydrophobicContact CG2-CB 3.87Å; I90-V97 HydrophobicContact CG2-CB 4.35Å; I90-V97 HydrophobicContact CG2-CG2 4.44Å; I90-W127 HydrophobicContact CD1-CE3 4Å; I90-W127 HydrophobicContact CD1-CH2 4.1Å; I90-W127 HydrophobicContact CD1-CZ3 3.59Å; I90-W127 HydrophobicContact CG1-CE3 4.41Å; I90-W127 HydrophobicContact CG1-CH2 4.15Å; I90-W127 HydrophobicContact CG1-CZ3 4.07Å; I90-W127 HydrophobicContact CG2-CH2 3.68Å; I90-W127 HydrophobicContact CG2-CZ2 4.28Å; I90-W127 HydrophobicContact CG2-CZ3 4.24Å; I90-L132 HydrophobicContact CD1-CD1 3.35Å; I90-L132 HydrophobicContact CD1-CD2 3.95Å; I90-L132 HydrophobicContact CD1-CG 3.33Å; I90-L132 HydrophobicContact CG1-CD1 4.18Å
91	G	94	Very high	96.3	Very high	19 Å²	19	72.1 Å²	72.1	20%	0.196	36%	0.356	C	S	.	.			trans	-82.2	-178.7	178.9	0	0	0	0	0	113.4	S89 D93 H94 V97	S89-G91 PolarHBondContact O-N 3.18Å; G91-D93 PolarHBondContact O-N 3.02Å; G91-D93 VanDerWaalsContact O-N 3.08Å; G91-H94 WeakPolarHBondContact O-CB 3.4Å; G91-H94 PolarHBondContact O-N 3.14Å; G91-V97 WeakPolarHBondContact O-CB 3.46Å; G91-V97 VanDerWaalsContact O-CG2 3.24Å; G91-V97 WeakPolarHBondContact O-CG2 3.44Å
92	R	92.1	Very high	96.5	Very high	197 Å²	197	65.8 Å²	65.8	74%	0.743	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-27.6	179.9	-74	-89.4	-176.2	86.1	2	114.5	H94	R92-H94 VanDerWaalsContact C-N 3.33Å
93	D	93.5	Very high	96.6	Very high	162 Å²	162	64.4 Å²	64.4	87%	0.866	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-12.5	-178.8	-56	-55.6	0	0	0	112.9	G91	G91-D93 PolarHBondContact O-N 3.02Å; G91-D93 VanDerWaalsContact O-N 3.08Å
94	H	96.4	Very high	96.7	Very high	37 Å²	37	61.9 Å²	61.9	17%	0.171	31%	0.31	C	S	.	.	S	Bend	trans	-72.7	132.8	-179.6	-165.9	-87.7	0	0	0	110.7	I90 G91 R92 D96 V97 W127 L132	I90-H94 HydrophobicContact CG2-CB 3.87Å; G91-H94 WeakPolarHBondContact O-CB 3.4Å; G91-H94 PolarHBondContact O-N 3.14Å; R92-H94 VanDerWaalsContact C-N 3.33Å; H94-D96 IonicContact CE1-OD2 3.47Å; H94-D96 PolarHBondContact ND1-N 3.42Å; H94-D96 VanDerWaalsContact ND1-N 3.11Å; H94-D96 PolarHBondContact O-N 3.42Å; H94-D96 VanDerWaalsContact O-N 3.16Å; H94-V97 HydrophobicContact CB-CB 4.35Å; H94-V97 WeakPolarHBondContact O-CB 3.35Å; H94-V97 WeakPolarHBondContact O-CG1 3.36Å; H94-V97 PolarHBondContact O-N 3.18Å; H94-W127 AromaticContact CE1-CZ3 3.66Å; H94-W127 AromaticContact ND1-CZ3 3.96Å; H94-L132 PolarHBondContact CE1-O 2.81Å; H94-L132 PolarHBondContact NE2-O 3.13Å
95	P	95.8	Very high	96.7	Very high	119 Å²	119	62.1 Å²	62.1	77%	0.773	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-38.8	-179	-26.6	34.3	0	0	0	113.3
96	D	97	Very high	96.8	Very high	48 Å²	48	56.3 Å²	56.3	26%	0.257	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	21.6	-178.9	-60.9	-60.2	0	0	0	113.9	H94 H98 K125 W127 T134	H94-D96 IonicContact CE1-OD2 3.47Å; H94-D96 PolarHBondContact ND1-N 3.42Å; H94-D96 VanDerWaalsContact ND1-N 3.11Å; H94-D96 PolarHBondContact O-N 3.42Å; H94-D96 VanDerWaalsContact O-N 3.16Å; D96-H98 PolarHBondContact O-N 3.33Å; D96-K125 PolarHBondContact O-NZ 3.3Å; D96-W127 HydrophobicContact CB-CH2 3.66Å; D96-W127 HydrophobicContact CB-CZ3 4.06Å; D96-W127 VanDerWaalsContact O-CH2 3.28Å; D96-W127 WeakPolarHBondContact O-CH2 3.29Å; D96-T134 HydrophobicContact CB-CG2 4.28Å; D96-T134 WeakPolarHBondContact OD2-CG2 3.49Å
97	V	97.3	Very high	96.8	Very high	34 Å²	34	55.3 Å²	55.3	21%	0.206	28%	0.277	C	S	.	.			trans	-54.4	143.4	174.7	68.7	0	0	0	0	111.5	I90 G91 H94	I90-V97 HydrophobicContact CG2-CB 4.35Å; I90-V97 HydrophobicContact CG2-CG2 4.44Å; G91-V97 WeakPolarHBondContact O-CB 3.46Å; G91-V97 VanDerWaalsContact O-CG2 3.24Å; G91-V97 WeakPolarHBondContact O-CG2 3.44Å; H94-V97 HydrophobicContact CB-CB 4.35Å; H94-V97 WeakPolarHBondContact O-CB 3.35Å; H94-V97 WeakPolarHBondContact O-CG1 3.36Å; H94-V97 PolarHBondContact O-N 3.18Å
98	H	98.2	Very high	96.8	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.019	26%	0.261	C	S	.	.			trans	-68.2	138.4	173.7	-84	-63.2	0	0	0	110.3	G66 D96 Y100 V102 S117 S119 D121 T123	G66-H98 WeakPolarHBondContact O-CB 3.22Å; G66-H98 PolarHBondContact O-N 2.73Å; D96-H98 PolarHBondContact O-N 3.33Å; H98-Y100 VanDerWaalsContact C-N 3.34Å; H98-V102 HydrophobicContact CB-CG2 3.9Å; H98-S117 WeakPolarHBondContact NE2-CB 3.42Å; H98-S117 PolarHBondContact NE2-OG 2.87Å; H98-S119 VanDerWaalsContact ND1-CB 3.31Å; H98-S119 WeakPolarHBondContact ND1-CB 3.34Å; H98-D121 WeakPolarHBondContact CA-OD2 3.44Å; H98-D121 IonicContact CE1-OD1 2.72Å; H98-D121 IonicContact CE1-OD2 2.85Å; H98-D121 IonicContact CG-OD2 3.13Å; H98-D121 IonicContact ND1-OD1 3.77Å; H98-D121 PolarHBondContact ND1-OD1 2.98Å; H98-D121 IonicContact ND1-OD2 3.41Å; H98-D121 PolarHBondContact ND1-OD2 3.31Å; H98-T123 PolarHBondContact CE1-OG1 3.44Å; H98-T123 PolarHBondContact ND1-OG1 2.97Å
99	R	96.9	Very high	96.7	Very high	195 Å²	195	52.9 Å²	52.9	74%	0.736	26%	0.257	S	S	*	.	S	Bend	trans	-77	-26.2	-176	-171.5	173.6	-178.4	-179.2	1.7	112.7	D121	R99-D121 HydrophobicContact CB-CB 3.84Å; R99-D121 PolarHBondContact N-OD2 2.94Å
100	Y	97.8	Very high	96.5	Very high	131 Å²	131	55.2 Å²	55.2	51%	0.514	26%	0.263	S	S	.	.	S	Bend	trans	-138.6	-179.7	-177.3	-68	-52.9	0	0	0	111.4	G66 H98 V102 S119 D121	G66-Y100 VanDerWaalsContact CA-O 3.25Å; G66-Y100 WeakPolarHBondContact CA-O 3.47Å; H98-Y100 VanDerWaalsContact C-N 3.34Å; Y100-V102 PolarHBondContact O-N 2.81Å; Y100-S119 VanDerWaalsContact C-OG 3.23Å; Y100-S119 PolarHBondContact O-OG 2.86Å; Y100-D121 HydrophobicContact CD2-CB 4.14Å
101	S	98.2	Very high	96.3	Very high	13 Å²	13	58.9 Å²	58.9	9%	0.091	28%	0.283	C	S	.	.			trans	-39.4	119.9	179.6	-167.9	0	0	0	0	113.9	N47 S64 E103 S119 F120	N47-S101 PolarHBondContact ND2-OG 3.48Å; S64-S101 WeakPolarHBondContact CA-OG 3.49Å; S101-E103 WeakPolarHBondContact CB-OE1 3.43Å; S101-E103 PolarHBondContact OG-OE1 2.65Å; S101-S119 CarbonylContact O-C 3.58Å; S101-S119 WeakPolarHBondContact O-CA 3.41Å; S101-S119 WeakPolarHBondContact O-CB 3.1Å; S101-S119 PolarHBondContact O-OG 3.45Å; S101-F120 PolarHBondContact O-N 3.32Å
102	V	98.7	Very high	96.3	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	119.4	171.4	-176	0	0	0	0	108.1	N47 G63 I68 H98 Y100	N47-V102 VanDerWaalsContact CB-O 3.3Å; N47-V102 WeakPolarHBondContact CB-O 3.43Å; N47-V102 PolarHBondContact ND2-O 2.77Å; G63-V102 PolarHBondContact O-N 2.92Å; I68-V102 HydrophobicContact CG1-CG1 4.42Å; I68-V102 HydrophobicContact CG1-CG2 4.26Å; H98-V102 HydrophobicContact CB-CG2 3.9Å; Y100-V102 PolarHBondContact O-N 2.81Å
103	E	98.6	Very high	96.4	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.009	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-24	-172.3	-65.5	-64.2	140.1	0	0	113.8	N47 S101 S118 F120 K293 K296	N47-E103 PolarHBondContact ND2-OE1 2.7Å; S101-E103 WeakPolarHBondContact CB-OE1 3.43Å; S101-E103 PolarHBondContact OG-OE1 2.65Å; E103-S118 PolarHBondContact N-O 3.08Å; E103-F120 HydrophobicContact CG-CD1 3.55Å; E103-F120 HydrophobicContact CG-CE1 3.4Å; E103-F120 VanDerWaalsContact CG-CE1 3.4Å; E103-F120 HydrophobicContact CG-CG 4.36Å; E103-F120 HydrophobicContact CG-CZ 4.06Å; E103-K293 IonicContact OE1-NZ 3.67Å; E103-K293 PolarHBondContact OE1-NZ 3.33Å; E103-K293 IonicContact OE2-NZ 3.97Å; E103-K293 PolarHBondContact OE2-NZ 2.78Å; E103-K296 WeakPolarHBondContact O-CE 3.37Å; E103-K296 PolarHBondContact O-NZ 2.94Å; E103-K296 VanDerWaalsContact O-NZ 3.09Å
104	T	98.8	Very high	96.6	Very high	10 Å²	10	45.9 Å²	45.9	6%	0.061	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	136.9	172.1	36.1	0	0	0	0	109.3	S117 S118 H147 K296	T104-S117 WeakPolarHBondContact O-CA 3.48Å; T104-S118 PolarHBondContact O-N 2.99Å; T104-S118 PolarHBondContact OG1-OG 3.34Å; T104-H147 PolarHBondContact O-CE1 2.89Å; T104-H147 PolarHBondContact OG1-CE1 3.04Å; T104-H147 PolarHBondContact OG1-N 2.71Å; T104-H147 PolarHBondContact OG1-ND1 3.28Å; T104-K296 HydrophobicContact CG2-CD 4.49Å
105	V	98.6	Very high	96.6	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.03	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.5	165.3	71.7	0	0	0	0	106	T48 D50 L60 I68 F115 T116	T48-V105 HydrophobicContact CG2-CB 4.1Å; T48-V105 HydrophobicContact CG2-CG1 3.75Å; T48-V105 PolarHBondContact OG1-N 3.41Å; D50-V105 HydrophobicContact CB-CG1 4.36Å; D50-V105 WeakPolarHBondContact CB-O 3.25Å; L60-V105 HydrophobicContact CB-CB 4.41Å; L60-V105 HydrophobicContact CB-CG1 3.73Å; L60-V105 HydrophobicContact CB-CG2 3.74Å; L60-V105 HydrophobicContact CD1-CG2 3.87Å; L60-V105 HydrophobicContact CD2-CG2 4.42Å; L60-V105 HydrophobicContact CG-CG2 4.22Å; I68-V105 HydrophobicContact CG2-CG2 4.04Å; V105-F115 HydrophobicContact CG2-CD2 3.92Å; V105-F115 HydrophobicContact CG2-CE2 4.35Å; V105-T116 CarbonylContact C-O 3.54Å; V105-T116 VanDerWaalsContact CA-O 3.3Å; V105-T116 WeakPolarHBondContact CA-O 3.34Å; V105-T116 WeakPolarHBondContact CG2-O 3.44Å
106	Q	98.6	Very high	96.7	Very high	19 Å²	19	38.6 Å²	38.6	9%	0.089	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	130.8	-178.6	-165.2	-172.9	17.4	0	0	109.9	D50 F115 T116 H148	D50-Q106 VanDerWaalsContact OD2-CA 3.31Å; D50-Q106 WeakPolarHBondContact OD2-CA 3.5Å; Q106-F115 CarbonylContact O-C 3.53Å; Q106-F115 WeakPolarHBondContact O-CA 3.47Å; Q106-F115 WeakPolarHBondContact O-CB 3.31Å; Q106-T116 PolarHBondContact N-O 3.19Å; Q106-T116 PolarHBondContact O-N 2.76Å; Q106-T116 PolarHBondContact O-OG1 2.96Å; Q106-H148 PolarHBondContact NE2-CD2 3.23Å; Q106-H148 PolarHBondContact NE2-NE2 3.45Å
107	W	98	Very high	96.8	Very high	5 Å²	5	36.3 Å²	36.3	2%	0.019	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	143.9	166.3	-76.4	103.1	0	0	0	110.7	D50 E52 L60 L70 P109 T112 F115 T129	D50-W107 PolarHBondContact O-NE1 3.46Å; D50-W107 PolarHBondContact OD2-N 3.05Å; E52-W107 HydrophobicContact CB-CD2 4.49Å; L60-W107 HydrophobicContact CD1-CD2 3.65Å; L60-W107 VanDerWaalsContact CD1-CE2 3.49Å; L60-W107 HydrophobicContact CD1-CE3 4.19Å; L60-W107 HydrophobicContact CD1-CG 3.95Å; L60-W107 HydrophobicContact CD1-CH2 4.45Å; L60-W107 HydrophobicContact CD1-CZ2 3.93Å; L60-W107 HydrophobicContact CD2-CZ2 4.49Å; L60-W107 HydrophobicContact CG-CD2 4.36Å; L60-W107 HydrophobicContact CG-CZ2 3.78Å; L70-W107 HydrophobicContact CD1-CH2 3.58Å; L70-W107 HydrophobicContact CD1-CZ2 3.34Å; W107-P109 WeakPolarHBondContact O-CD 3.31Å; W107-T112 HydrophobicContact CE3-CG2 4.26Å; W107-T112 HydrophobicContact CH2-CG2 4.22Å; W107-T112 HydrophobicContact CZ3-CG2 3.76Å; W107-T112 WeakPolarHBondContact CZ3-O 3.49Å; W107-F115 HydrophobicContact CE3-CB 4.31Å; W107-T129 HydrophobicContact CE3-CG2 4.42Å; W107-T129 HydrophobicContact CH2-CG2 4.18Å; W107-T129 HydrophobicContact CZ3-CG2 3.55Å
108	Y	96.1	Very high	96.9	Very high	47 Å²	47	34.7 Å²	34.7	18%	0.184	16%	0.162	C	C	.	.			trans	-66.8	120.9	170.6	-168.6	-76	0	0	0	108.5	H110 D111 M114 M149 C157 L173	Y108-H110 HydrophobicContact CE1-CB 4.43Å; Y108-H110 PolarHBondContact O-N 3.05Å; Y108-D111 WeakPolarHBondContact CB-O 3.3Å; Y108-D111 HydrophobicContact CD1-CB 3.59Å; Y108-D111 HydrophobicContact CE1-CB 4.14Å; Y108-D111 HydrophobicContact CG-CB 4.25Å; Y108-D111 PolarHBondContact O-N 3.41Å; Y108-D111 VanDerWaalsContact O-N 3.15Å; Y108-M114 VanDerWaalsContact CB-O 3.23Å; Y108-M114 WeakPolarHBondContact CB-O 3.25Å; Y108-M114 HydrophobicContact CD2-CB 4.39Å; Y108-M114 HydrophobicContact CG-CB 4.33Å; Y108-M114 PolarHBondContact N-O 3.49Å; Y108-M149 HydrophobicContact CD2-CE 4.35Å; Y108-M149 HydrophobicContact CD2-SD 4.02Å; Y108-M149 HydrophobicContact CE2-SD 4.25Å; Y108-C157 PolarHBondContact OH-SG 3.41Å; Y108-L173 HydrophobicContact CD2-CD1 4.3Å; Y108-L173 HydrophobicContact CE2-CD1 3.77Å
109	P	93.3	Very high	96.9	Very high	20 Å²	20	34.5 Å²	34.5	13%	0.13	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.6	-162.1	-26.8	34	0	0	0	116.5	W107 M149 P151	W107-P109 WeakPolarHBondContact O-CD 3.31Å; P109-M149 HydrophobicContact CG-CB 3.99Å; P109-P151 HydrophobicContact CB-CB 4.44Å
110	H	90.4	Very high	97	Very high	90 Å²	90	27.6 Å²	27.6	42%	0.417	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	10.7	-176.9	-51.2	101.5	0	0	0	113	Y108 P151 S153	Y108-H110 HydrophobicContact CE1-CB 4.43Å; Y108-H110 PolarHBondContact O-N 3.05Å; H110-P151 PolarHBondContact NE2-O 3.25Å; H110-S153 PolarHBondContact CE1-O 2.76Å
111	D	93.7	Very high	97	Very high	80 Å²	80	22.6 Å²	22.6	43%	0.428	12%	0.118	S	C	.	.			trans	-154.7	100.6	-176.2	-168	-12.3	0	0	0	111.5	Y108 G113 M114	Y108-D111 WeakPolarHBondContact CB-O 3.3Å; Y108-D111 HydrophobicContact CD1-CB 3.59Å; Y108-D111 HydrophobicContact CE1-CB 4.14Å; Y108-D111 HydrophobicContact CG-CB 4.25Å; Y108-D111 PolarHBondContact O-N 3.41Å; Y108-D111 VanDerWaalsContact O-N 3.15Å; D111-G113 PolarHBondContact O-N 3.16Å; D111-G113 VanDerWaalsContact O-N 3.11Å; D111-G113 WeakPolarHBondContact OD1-CA 3.44Å; D111-G113 PolarHBondContact OD1-N 3.11Å; D111-M114 PolarHBondContact O-N 2.98Å; D111-M114 VanDerWaalsContact O-N 3.14Å
112	T	94.1	Very high	97	Very high	42 Å²	42	26.1 Å²	26.1	26%	0.258	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-10.1	174.8	-51.8	0	0	0	0	112.5	E52 W107 M114 T129	E52-T112 HydrophobicContact CG-CG2 3.99Å; E52-T112 WeakPolarHBondContact OE1-CB 3.3Å; E52-T112 WeakPolarHBondContact OE1-CG2 3.23Å; E52-T112 PolarHBondContact OE1-OG1 3.36Å; W107-T112 HydrophobicContact CE3-CG2 4.26Å; W107-T112 HydrophobicContact CH2-CG2 4.22Å; W107-T112 HydrophobicContact CZ3-CG2 3.76Å; W107-T112 WeakPolarHBondContact CZ3-O 3.49Å; T112-M114 PolarHBondContact O-N 3.09Å; T112-T129 WeakPolarHBondContact O-CG2 3.34Å; T112-T129 PolarHBondContact O-OG1 2.72Å
113	G	95.3	Very high	97	Very high	16 Å²	16	26.7 Å²	26.7	17%	0.165	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-12	171.3	0	0	0	0	0	113.9	D111 T129	D111-G113 PolarHBondContact O-N 3.16Å; D111-G113 VanDerWaalsContact O-N 3.11Å; D111-G113 WeakPolarHBondContact OD1-CA 3.44Å; D111-G113 PolarHBondContact OD1-N 3.11Å; G113-T129 VanDerWaalsContact CA-OG1 3.28Å; G113-T129 WeakPolarHBondContact CA-OG1 3.39Å; G113-T129 PolarHBondContact O-N 3.18Å; G113-T129 PolarHBondContact O-OG1 2.96Å
114	M	96	Very high	97	Very high	46 Å²	46	26.6 Å²	26.6	23%	0.227	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	154.2	-174.1	-62	-167	65.4	0	0	114.1	Y108 D111 T112 V126 W127 A135	Y108-M114 VanDerWaalsContact CB-O 3.23Å; Y108-M114 WeakPolarHBondContact CB-O 3.25Å; Y108-M114 HydrophobicContact CD2-CB 4.39Å; Y108-M114 HydrophobicContact CG-CB 4.33Å; Y108-M114 PolarHBondContact N-O 3.49Å; D111-M114 PolarHBondContact O-N 2.98Å; D111-M114 VanDerWaalsContact O-N 3.14Å; T112-M114 PolarHBondContact O-N 3.09Å; M114-V126 HydrophobicContact CE-CG1 3.18Å; M114-W127 WeakPolarHBondContact CA-O 3.34Å; M114-W127 WeakPolarHBondContact CB-O 3.41Å; M114-A135 HydrophobicContact CE-CB 4.07Å
115	F	97.9	Very high	96.9	Very high	4 Å²	4	27 Å²	27	2%	0.018	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	168.8	168	70.9	-88.2	0	0	0	111.6	L60 I68 V105 Q106 W107 W127 T129	L60-F115 HydrophobicContact CD1-CB 3.4Å; L60-F115 VanDerWaalsContact CD1-CB 3.4Å; L60-F115 HydrophobicContact CD1-CD1 4.12Å; L60-F115 HydrophobicContact CD1-CD2 3.81Å; L60-F115 HydrophobicContact CD1-CG 3.52Å; L60-F115 HydrophobicContact CD2-CD1 4.29Å; L60-F115 HydrophobicContact CD2-CD2 4.25Å; L60-F115 HydrophobicContact CD2-CE1 4.33Å; L60-F115 HydrophobicContact CD2-CE2 4.29Å; L60-F115 HydrophobicContact CD2-CG 4.26Å; L60-F115 HydrophobicContact CD2-CZ 4.33Å; I68-F115 HydrophobicContact CD1-CE2 4.18Å; I68-F115 HydrophobicContact CG2-CE2 3.9Å; I68-F115 HydrophobicContact CG2-CZ 4.31Å; V105-F115 HydrophobicContact CG2-CD2 3.92Å; V105-F115 HydrophobicContact CG2-CE2 4.35Å; Q106-F115 CarbonylContact O-C 3.53Å; Q106-F115 WeakPolarHBondContact O-CA 3.47Å; Q106-F115 WeakPolarHBondContact O-CB 3.31Å; W107-F115 HydrophobicContact CE3-CB 4.31Å; F115-W127 HydrophobicContact CD1-CB 3.74Å; F115-W127 HydrophobicContact CD2-CB 4.08Å; F115-W127 AromaticContact CD2-CD1 3.69Å; F115-W127 HydrophobicContact CD2-CG 4.08Å; F115-W127 HydrophobicContact CE1-CB 3.37Å; F115-W127 AromaticContact CE1-CG 3.96Å; F115-W127 HydrophobicContact CE1-CG 3.96Å; F115-W127 HydrophobicContact CE2-CB 3.71Å; F115-W127 AromaticContact CE2-CD1 3.23Å; F115-W127 HydrophobicContact CE2-CD2 4.19Å; F115-W127 AromaticContact CE2-CG 3.44Å; F115-W127 HydrophobicContact CE2-CG 3.44Å; F115-W127 VanDerWaalsContact CE2-CG 3.44Å; F115-W127 AromaticContact CE2-NE1 3.85Å; F115-W127 HydrophobicContact CG-CB 4.09Å; F115-W127 HydrophobicContact CZ-CB 3.35Å; F115-W127 AromaticContact CZ-CD1 3.71Å; F115-W127 AromaticContact CZ-CD2 3.97Å; F115-W127 HydrophobicContact CZ-CD2 3.97Å; F115-W127 AromaticContact CZ-CG 3.38Å; F115-W127 HydrophobicContact CZ-CG 3.38Å; F115-W127 PolarHBondContact N-O 2.85Å; F115-W127 VanDerWaalsContact N-O 3.12Å; F115-W127 PolarHBondContact O-N 3.39Å; F115-T129 HydrophobicContact CD1-CG2 3.45Å; F115-T129 VanDerWaalsContact CD1-CG2 3.45Å; F115-T129 HydrophobicContact CE1-CG2 4.02Å
116	T	98.2	Very high	96.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	148.3	177.9	53.5	0	0	0	0	111.6	V105 Q106 K125 V126 H147 M149	V105-T116 CarbonylContact C-O 3.54Å; V105-T116 VanDerWaalsContact CA-O 3.3Å; V105-T116 WeakPolarHBondContact CA-O 3.34Å; V105-T116 WeakPolarHBondContact CG2-O 3.44Å; Q106-T116 PolarHBondContact N-O 3.19Å; Q106-T116 PolarHBondContact O-N 2.76Å; Q106-T116 PolarHBondContact O-OG1 2.96Å; T116-K125 CarbonylContact C-O 3.52Å; T116-K125 WeakPolarHBondContact CA-O 3.46Å; T116-V126 HydrophobicContact CG2-CG1 4.43Å; T116-V126 HydrophobicContact CG2-CG2 4.19Å; T116-H147 PolarHBondContact OG1-CD2 2.93Å; T116-H147 PolarHBondContact OG1-NE2 2.93Å; T116-M149 HydrophobicContact CG2-CE 3.52Å; T116-M149 HydrophobicContact CG2-SD 4.29Å; T116-M149 VanDerWaalsContact OG1-CE 3.25Å; T116-M149 WeakPolarHBondContact OG1-CE 3.49Å
117	S	98.7	Very high	96.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	144.6	174.4	67.4	0	0	0	0	110.6	I68 H98 T104 L124 K125 W127	I68-S117 VanDerWaalsContact CD1-CB 3.41Å; I68-S117 WeakPolarHBondContact CD1-OG 3.37Å; H98-S117 WeakPolarHBondContact NE2-CB 3.42Å; H98-S117 PolarHBondContact NE2-OG 2.87Å; T104-S117 WeakPolarHBondContact O-CA 3.48Å; S117-L124 CarbonylContact O-C 3.59Å; S117-L124 WeakPolarHBondContact O-CA 3.38Å; S117-K125 PolarHBondContact N-O 3.03Å; S117-K125 PolarHBondContact O-N 2.87Å; S117-W127 PolarHBondContact OG-NE1 2.67Å
118	S	98.6	Very high	96.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	148.3	172.2	65.5	0	0	0	0	112.5	E103 T104 T123 V144 H147	E103-S118 PolarHBondContact N-O 3.08Å; T104-S118 PolarHBondContact O-N 2.99Å; T104-S118 PolarHBondContact OG1-OG 3.34Å; S118-T123 VanDerWaalsContact CA-O 3.3Å; S118-T123 WeakPolarHBondContact CA-O 3.28Å; S118-T123 WeakPolarHBondContact CB-O 3.37Å; S118-V144 WeakPolarHBondContact OG-CG1 3.44Å; S118-H147 VanDerWaalsContact CB-ND1 3.31Å; S118-H147 WeakPolarHBondContact CB-ND1 3.46Å; S118-H147 PolarHBondContact OG-ND1 3.19Å
119	S	98.5	Very high	96.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	164.1	-168.5	166.8	0	0	0	0	113.1	H98 Y100 S101 D121 K122 T123 V144	H98-S119 VanDerWaalsContact ND1-CB 3.31Å; H98-S119 WeakPolarHBondContact ND1-CB 3.34Å; Y100-S119 VanDerWaalsContact C-OG 3.23Å; Y100-S119 PolarHBondContact O-OG 2.86Å; S101-S119 CarbonylContact O-C 3.58Å; S101-S119 WeakPolarHBondContact O-CA 3.41Å; S101-S119 WeakPolarHBondContact O-CB 3.1Å; S101-S119 PolarHBondContact O-OG 3.45Å; S119-D121 VanDerWaalsContact CB-OD1 3.25Å; S119-D121 WeakPolarHBondContact CB-OD1 3.41Å; S119-D121 PolarHBondContact O-N 2.87Å; S119-D121 PolarHBondContact OG-N 3.2Å; S119-D121 PolarHBondContact OG-OD1 3.41Å; S119-K122 PolarHBondContact O-N 3.4Å; S119-K122 VanDerWaalsContact O-N 3.14Å; S119-T123 PolarHBondContact N-O 3.21Å; S119-V144 PolarHBondContact O-N 2.98Å
120	F	98.4	Very high	96.9	Very high	49 Å²	49	32.6 Å²	32.6	22%	0.215	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-5.6	165.6	-80.5	9.5	0	0	0	113.7	S101 E103 K122 T143 V144 Y145 K293	S101-F120 PolarHBondContact O-N 3.32Å; E103-F120 HydrophobicContact CG-CD1 3.55Å; E103-F120 HydrophobicContact CG-CE1 3.4Å; E103-F120 VanDerWaalsContact CG-CE1 3.4Å; E103-F120 HydrophobicContact CG-CG 4.36Å; E103-F120 HydrophobicContact CG-CZ 4.06Å; F120-K122 PolarHBondContact O-N 3.35Å; F120-T143 HydrophobicContact CB-CG2 4.45Å; F120-V144 VanDerWaalsContact CD1-O 3.24Å; F120-V144 WeakPolarHBondContact CD1-O 3.44Å; F120-V144 WeakPolarHBondContact CE1-O 3.11Å; F120-Y145 AromaticContact CE1-CD1 3.85Å; F120-Y145 HydrophobicContact CE1-CD1 3.85Å; F120-Y145 AromaticContact CE1-CE1 3.91Å; F120-Y145 HydrophobicContact CE1-CE1 3.91Å; F120-Y145 HydrophobicContact CE1-CG 4.25Å; F120-Y145 AromaticContact CZ-CD1 3.99Å; F120-Y145 HydrophobicContact CZ-CD1 3.99Å; F120-Y145 AromaticContact CZ-CE1 3.64Å; F120-Y145 HydrophobicContact CZ-CE1 3.64Å; F120-K293 HydrophobicContact CE2-CD 4.14Å; F120-K293 HydrophobicContact CZ-CD 3.98Å; F120-K293 HydrophobicContact CZ-CG 4.4Å
121	D	98.1	Very high	97.1	Very high	27 Å²	27	31.9 Å²	31.9	14%	0.144	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	5.1	166.3	71.4	7	0	0	0	114.3	H98 R99 Y100 S119 T123	H98-D121 WeakPolarHBondContact CA-OD2 3.44Å; H98-D121 IonicContact CE1-OD1 2.72Å; H98-D121 IonicContact CE1-OD2 2.85Å; H98-D121 IonicContact CG-OD2 3.13Å; H98-D121 IonicContact ND1-OD1 3.77Å; H98-D121 PolarHBondContact ND1-OD1 2.98Å; H98-D121 IonicContact ND1-OD2 3.41Å; H98-D121 PolarHBondContact ND1-OD2 3.31Å; R99-D121 HydrophobicContact CB-CB 3.84Å; R99-D121 PolarHBondContact N-OD2 2.94Å; Y100-D121 HydrophobicContact CD2-CB 4.14Å; S119-D121 VanDerWaalsContact CB-OD1 3.25Å; S119-D121 WeakPolarHBondContact CB-OD1 3.41Å; S119-D121 PolarHBondContact O-N 2.87Å; S119-D121 PolarHBondContact OG-N 3.2Å; S119-D121 PolarHBondContact OG-OD1 3.41Å; D121-T123 VanDerWaalsContact C-N 3.29Å; D121-T123 VanDerWaalsContact CG-OG1 3.29Å; D121-T123 WeakPolarHBondContact OD1-CB 3.33Å; D121-T123 PolarHBondContact OD1-N 3.18Å; D121-T123 PolarHBondContact OD1-OG1 3.37Å; D121-T123 PolarHBondContact OD2-OG1 2.96Å
122	K	98.3	Very high	97.1	Very high	86 Å²	86	29.9 Å²	29.9	37%	0.374	16%	0.161	S	C	.	.	S	Bend	trans	69.7	24.4	177.4	-42.1	-179.3	174.5	-168.6	0	113.4	S119 F120 F140 E141 E142 T143	S119-K122 PolarHBondContact O-N 3.4Å; S119-K122 VanDerWaalsContact O-N 3.14Å; F120-K122 PolarHBondContact O-N 3.35Å; K122-F140 WeakPolarHBondContact CB-O 3.05Å; K122-F140 WeakPolarHBondContact O-CD2 3.29Å; K122-F140 PolarHBondContact O-N 2.94Å; K122-E141 WeakPolarHBondContact CD-O 3.14Å; K122-E141 WeakPolarHBondContact CE-O 3.18Å; K122-E141 PolarHBondContact NZ-O 3.05Å; K122-E142 WeakPolarHBondContact CB-O 3.36Å; K122-T143 HydrophobicContact CG-CG2 4.48Å
123	T	98.3	Very high	97.2	Very high	13 Å²	13	33.9 Å²	33.9	8%	0.08	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	150.1	177.4	70.4	0	0	0	0	112.5	H98 S118 S119 D121 V137 F138	H98-T123 PolarHBondContact CE1-OG1 3.44Å; H98-T123 PolarHBondContact ND1-OG1 2.97Å; S118-T123 VanDerWaalsContact CA-O 3.3Å; S118-T123 WeakPolarHBondContact CA-O 3.28Å; S118-T123 WeakPolarHBondContact CB-O 3.37Å; S119-T123 PolarHBondContact N-O 3.21Å; D121-T123 VanDerWaalsContact C-N 3.29Å; D121-T123 VanDerWaalsContact CG-OG1 3.29Å; D121-T123 WeakPolarHBondContact OD1-CB 3.33Å; D121-T123 PolarHBondContact OD1-N 3.18Å; D121-T123 PolarHBondContact OD1-OG1 3.37Å; D121-T123 PolarHBondContact OD2-OG1 2.96Å; T123-V137 HydrophobicContact CG2-CG1 4.47Å; T123-F138 VanDerWaalsContact CA-O 3.23Å; T123-F138 WeakPolarHBondContact CA-O 3.18Å
124	L	98.3	Very high	97.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	120.9	159.1	166.2	75.1	0	0	0	106.3	S117 F138 F140 H147 V159 V161 C171	S117-L124 CarbonylContact O-C 3.59Å; S117-L124 WeakPolarHBondContact O-CA 3.38Å; L124-F138 HydrophobicContact CB-CB 4.22Å; L124-F138 HydrophobicContact CD2-CD2 4Å; L124-F138 HydrophobicContact CG-CD2 4.32Å; L124-F138 PolarHBondContact N-O 3.41Å; L124-F138 PolarHBondContact O-N 3.26Å; L124-F140 HydrophobicContact CB-CE2 3.59Å; L124-F140 HydrophobicContact CB-CZ 3.98Å; L124-H147 HydrophobicContact CD1-CB 4.19Å; L124-V159 HydrophobicContact CD1-CG1 4.35Å; L124-V159 HydrophobicContact CD2-CB 4.05Å; L124-V159 HydrophobicContact CD2-CG1 3.81Å; L124-V159 HydrophobicContact CD2-CG2 4.33Å; L124-V161 HydrophobicContact CD2-CG2 3.92Å; L124-C171 HydrophobicContact CD2-CB 4.31Å
125	K	98	Very high	97.1	Very high	17 Å²	17	35.2 Å²	35.2	7%	0.074	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.6	178.3	-60.4	-172.7	-176.8	-167.8	0	109.6	D96 T116 S117 W127 D136 V137	D96-K125 PolarHBondContact O-NZ 3.3Å; T116-K125 CarbonylContact C-O 3.52Å; T116-K125 WeakPolarHBondContact CA-O 3.46Å; S117-K125 PolarHBondContact N-O 3.03Å; S117-K125 PolarHBondContact O-N 2.87Å; K125-W127 HydrophobicContact CB-CZ2 4.05Å; K125-W127 HydrophobicContact CD-CH2 4.37Å; K125-W127 HydrophobicContact CD-CZ2 3.68Å; K125-D136 WeakPolarHBondContact CA-O 3.28Å; K125-V137 HydrophobicContact CG-CG1 4.24Å; K125-V137 HydrophobicContact CG-CG2 4.17Å
126	V	97.5	Very high	96.9	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.3	174.9	-174.2	0	0	0	0	106.7	M114 T116 T134 A135 D136 F138 L173	M114-V126 HydrophobicContact CE-CG1 3.18Å; T116-V126 HydrophobicContact CG2-CG1 4.43Å; T116-V126 HydrophobicContact CG2-CG2 4.19Å; V126-T134 CarbonylContact O-C 3.55Å; V126-T134 WeakPolarHBondContact O-CA 3.19Å; V126-T134 PolarHBondContact O-OG1 2.88Å; V126-A135 HydrophobicContact CB-CB 4.49Å; V126-A135 HydrophobicContact CG1-CB 4.33Å; V126-A135 PolarHBondContact O-N 3.14Å; V126-D136 HydrophobicContact CB-CB 4.06Å; V126-D136 HydrophobicContact CG2-CB 3.95Å; V126-D136 PolarHBondContact N-O 2.97Å; V126-D136 PolarHBondContact O-N 2.61Å; V126-F138 HydrophobicContact CG2-CE2 4.18Å; V126-L173 HydrophobicContact CG2-CD2 3.61Å
127	W	98	Very high	96.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	142.7	-169.8	-60.6	88.9	0	0	0	111.1	I68 I90 H94 D96 M114 F115 S117 K125	I68-W127 HydrophobicContact CD1-CZ2 3.92Å; I90-W127 HydrophobicContact CD1-CE3 4Å; I90-W127 HydrophobicContact CD1-CH2 4.1Å; I90-W127 HydrophobicContact CD1-CZ3 3.59Å; I90-W127 HydrophobicContact CG1-CE3 4.41Å; I90-W127 HydrophobicContact CG1-CH2 4.15Å; I90-W127 HydrophobicContact CG1-CZ3 4.07Å; I90-W127 HydrophobicContact CG2-CH2 3.68Å; I90-W127 HydrophobicContact CG2-CZ2 4.28Å; I90-W127 HydrophobicContact CG2-CZ3 4.24Å; H94-W127 AromaticContact CE1-CZ3 3.66Å; H94-W127 AromaticContact ND1-CZ3 3.96Å; D96-W127 HydrophobicContact CB-CH2 3.66Å; D96-W127 HydrophobicContact CB-CZ3 4.06Å; D96-W127 VanDerWaalsContact O-CH2 3.28Å; D96-W127 WeakPolarHBondContact O-CH2 3.29Å; M114-W127 WeakPolarHBondContact CA-O 3.34Å; M114-W127 WeakPolarHBondContact CB-O 3.41Å; F115-W127 HydrophobicContact CD1-CB 3.74Å; F115-W127 HydrophobicContact CD2-CB 4.08Å; F115-W127 AromaticContact CD2-CD1 3.69Å; F115-W127 HydrophobicContact CD2-CG 4.08Å; F115-W127 HydrophobicContact CE1-CB 3.37Å; F115-W127 AromaticContact CE1-CG 3.96Å; F115-W127 HydrophobicContact CE1-CG 3.96Å; F115-W127 HydrophobicContact CE2-CB 3.71Å; F115-W127 AromaticContact CE2-CD1 3.23Å; F115-W127 HydrophobicContact CE2-CD2 4.19Å; F115-W127 AromaticContact CE2-CG 3.44Å; F115-W127 HydrophobicContact CE2-CG 3.44Å; F115-W127 VanDerWaalsContact CE2-CG 3.44Å; F115-W127 AromaticContact CE2-NE1 3.85Å; F115-W127 HydrophobicContact CG-CB 4.09Å; F115-W127 HydrophobicContact CZ-CB 3.35Å; F115-W127 AromaticContact CZ-CD1 3.71Å; F115-W127 AromaticContact CZ-CD2 3.97Å; F115-W127 HydrophobicContact CZ-CD2 3.97Å; F115-W127 AromaticContact CZ-CG 3.38Å; F115-W127 HydrophobicContact CZ-CG 3.38Å; F115-W127 PolarHBondContact N-O 2.85Å; F115-W127 VanDerWaalsContact N-O 3.12Å; F115-W127 PolarHBondContact O-N 3.39Å; S117-W127 PolarHBondContact OG-NE1 2.67Å; K125-W127 HydrophobicContact CB-CZ2 4.05Å; K125-W127 HydrophobicContact CD-CH2 4.37Å; K125-W127 HydrophobicContact CD-CZ2 3.68Å
128	D	97.2	Very high	96.8	Very high	53 Å²	53	41.7 Å²	41.7	28%	0.283	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.9	162.6	179.1	-56.6	0	0	0	108.6	N130 T131 L132 Q133	D128-N130 PolarHBondContact OD1-N 2.95Å; D128-T131 WeakPolarHBondContact CB-OG1 3.12Å; D128-T131 PolarHBondContact OD1-N 2.91Å; D128-T131 PolarHBondContact OD1-OG1 2.65Å; D128-L132 VanDerWaalsContact O-CA 3.23Å; D128-L132 WeakPolarHBondContact O-CA 3.26Å; D128-L132 PolarHBondContact O-N 2.78Å; D128-Q133 PolarHBondContact N-O 2.81Å
129	T	96	Very high	96.7	Very high	19 Å²	19	47.2 Å²	47.2	12%	0.117	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-31.8	-172.8	57.5	0	0	0	0	112.6	W107 T112 G113 F115	W107-T129 HydrophobicContact CE3-CG2 4.42Å; W107-T129 HydrophobicContact CH2-CG2 4.18Å; W107-T129 HydrophobicContact CZ3-CG2 3.55Å; T112-T129 WeakPolarHBondContact O-CG2 3.34Å; T112-T129 PolarHBondContact O-OG1 2.72Å; G113-T129 VanDerWaalsContact CA-OG1 3.28Å; G113-T129 WeakPolarHBondContact CA-OG1 3.39Å; G113-T129 PolarHBondContact O-N 3.18Å; G113-T129 PolarHBondContact O-OG1 2.96Å; F115-T129 HydrophobicContact CD1-CG2 3.45Å; F115-T129 VanDerWaalsContact CD1-CG2 3.45Å; F115-T129 HydrophobicContact CE1-CG2 4.02Å
130	N	94.9	Very high	96.6	Very high	141 Å²	141	48 Å²	48	75%	0.754	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-39	-174.4	-66.2	-53.2	0	0	0	111.7	D128	D128-N130 PolarHBondContact OD1-N 2.95Å
131	T	95.2	Very high	96.5	Very high	74 Å²	74	53.7 Å²	53.7	45%	0.454	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-16.8	179.9	64.2	0	0	0	0	113	D128 Q133	D128-T131 WeakPolarHBondContact CB-OG1 3.12Å; D128-T131 PolarHBondContact OD1-N 2.91Å; D128-T131 PolarHBondContact OD1-OG1 2.65Å; T131-Q133 PolarHBondContact O-N 2.86Å; T131-Q133 PolarHBondContact OG1-N 3.45Å
132	L	93.5	Very high	96.5	Very high	39 Å²	39	55.8 Å²	55.8	20%	0.204	30%	0.295	C	S	.	.			trans	62	22.2	-176.7	-156.6	62.8	0	0	0	113.5	C88 I90 H94 D128	C88-L132 HydrophobicContact CB-CD1 4.18Å; C88-L132 HydrophobicContact CB-CD2 3.97Å; C88-L132 VanDerWaalsContact SG-CD1 3.59Å; I90-L132 HydrophobicContact CD1-CD1 3.35Å; I90-L132 HydrophobicContact CD1-CD2 3.95Å; I90-L132 HydrophobicContact CD1-CG 3.33Å; I90-L132 HydrophobicContact CG1-CD1 4.18Å; H94-L132 PolarHBondContact CE1-O 2.81Å; H94-L132 PolarHBondContact NE2-O 3.13Å; D128-L132 VanDerWaalsContact O-CA 3.23Å; D128-L132 WeakPolarHBondContact O-CA 3.26Å; D128-L132 PolarHBondContact O-N 2.78Å
133	Q	95.4	Very high	96.5	Very high	125 Å²	125	52.7 Å²	52.7	58%	0.584	28%	0.284	S	S	*	.			trans	-101.7	153.6	179.9	-68.1	172.5	37.9	0	0	111.3	D128 T131	D128-Q133 PolarHBondContact N-O 2.81Å; T131-Q133 PolarHBondContact O-N 2.86Å; T131-Q133 PolarHBondContact OG1-N 3.45Å
134	T	95.3	Very high	96.5	Very high	37 Å²	37	52.1 Å²	52.1	23%	0.227	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	128.5	172.1	-162.3	0	0	0	0	109.5	D96 V126 D136 V137	D96-T134 HydrophobicContact CB-CG2 4.28Å; D96-T134 WeakPolarHBondContact OD2-CG2 3.49Å; V126-T134 CarbonylContact O-C 3.55Å; V126-T134 WeakPolarHBondContact O-CA 3.19Å; V126-T134 PolarHBondContact O-OG1 2.88Å; T134-D136 PolarHBondContact OG1-O 3.09Å; T134-V137 HydrophobicContact CG2-CG2 3.98Å; T134-V137 WeakPolarHBondContact OG1-CG2 3.25Å
135	A	94.4	Very high	96.5	Very high	54 Å²	54	52.8 Å²	52.8	45%	0.446	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-47.1	173.2	0	0	0	0	0	110.8	M114 V126	M114-A135 HydrophobicContact CE-CB 4.07Å; V126-A135 HydrophobicContact CB-CB 4.49Å; V126-A135 HydrophobicContact CG1-CB 4.33Å; V126-A135 PolarHBondContact O-N 3.14Å
136	D	95.1	Very high	96.5	Very high	66 Å²	66	52.2 Å²	52.2	35%	0.353	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.8	179.2	-74.2	-61	0	0	0	111.1	K125 V126 T134 F138	K125-D136 WeakPolarHBondContact CA-O 3.28Å; V126-D136 HydrophobicContact CB-CB 4.06Å; V126-D136 HydrophobicContact CG2-CB 3.95Å; V126-D136 PolarHBondContact N-O 2.97Å; V126-D136 PolarHBondContact O-N 2.61Å; T134-D136 PolarHBondContact OG1-O 3.09Å; D136-F138 HydrophobicContact CB-CE2 4.1Å
137	V	96.3	Very high	96.6	Very high	61 Å²	61	52.3 Å²	52.3	37%	0.37	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	116	175	-177.7	0	0	0	0	109.7	T123 K125 T134	T123-V137 HydrophobicContact CG2-CG1 4.47Å; K125-V137 HydrophobicContact CG-CG1 4.24Å; K125-V137 HydrophobicContact CG-CG2 4.17Å; T134-V137 HydrophobicContact CG2-CG2 3.98Å; T134-V137 WeakPolarHBondContact OG1-CG2 3.25Å
138	F	97.2	Very high	96.6	Very high	12 Å²	12	54.3 Å²	54.3	5%	0.053	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	136.4	172.3	-62	-87.3	0	0	0	110.2	T123 L124 V126 D136 F140 C171 L173 G176 C178	T123-F138 VanDerWaalsContact CA-O 3.23Å; T123-F138 WeakPolarHBondContact CA-O 3.18Å; L124-F138 HydrophobicContact CB-CB 4.22Å; L124-F138 HydrophobicContact CD2-CD2 4Å; L124-F138 HydrophobicContact CG-CD2 4.32Å; L124-F138 PolarHBondContact N-O 3.41Å; L124-F138 PolarHBondContact O-N 3.26Å; V126-F138 HydrophobicContact CG2-CE2 4.18Å; D136-F138 HydrophobicContact CB-CE2 4.1Å; F138-F140 HydrophobicContact CB-CE1 4.47Å; F138-F140 HydrophobicContact CB-CE2 4.35Å; F138-F140 HydrophobicContact CB-CZ 3.91Å; F138-C171 HydrophobicContact CD1-CB 4.27Å; F138-C171 HydrophobicContact CE1-CB 4.16Å; F138-C171 HydrophobicContact CG-CB 4.46Å; F138-C171 HydrophobicContact CZ-CB 4.3Å; F138-L173 HydrophobicContact CE2-CD2 3.71Å; F138-L173 HydrophobicContact CZ-CD2 4.14Å; F138-G176 WeakPolarHBondContact CE1-O 3.29Å; F138-C178 HydrophobicContact CD1-CB 4.18Å
139	N	96.9	Very high	96.6	Very high	116 Å²	116	52.2 Å²	52.2	62%	0.62	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	140.7	179	-65.1	-74.7	0	0	0	110.6
140	F	97.1	Very high	96.6	Very high	18 Å²	18	51.5 Å²	51.5	8%	0.079	28%	0.275	C	S	.	.			trans	-125	156.4	179.5	-51.6	-67.5	0	0	0	111.3	K122 L124 F138 E142 V144 V161 T163	K122-F140 WeakPolarHBondContact CB-O 3.05Å; K122-F140 WeakPolarHBondContact O-CD2 3.29Å; K122-F140 PolarHBondContact O-N 2.94Å; L124-F140 HydrophobicContact CB-CE2 3.59Å; L124-F140 HydrophobicContact CB-CZ 3.98Å; F138-F140 HydrophobicContact CB-CE1 4.47Å; F138-F140 HydrophobicContact CB-CE2 4.35Å; F138-F140 HydrophobicContact CB-CZ 3.91Å; F140-E142 PolarHBondContact O-N 2.94Å; F140-V144 HydrophobicContact CD2-CG2 3.43Å; F140-V144 VanDerWaalsContact CD2-CG2 3.43Å; F140-V144 HydrophobicContact CE2-CG2 3.86Å; F140-V144 HydrophobicContact CG-CG2 4.4Å; F140-V161 HydrophobicContact CD2-CG1 4.43Å; F140-V161 HydrophobicContact CE1-CG1 4.39Å; F140-V161 HydrophobicContact CE2-CG1 3.86Å; F140-V161 HydrophobicContact CZ-CB 4.22Å; F140-V161 HydrophobicContact CZ-CG1 3.83Å; F140-V161 HydrophobicContact CZ-CG2 3.94Å; F140-T163 HydrophobicContact CB-CG2 4.36Å; F140-T163 HydrophobicContact CG-CG2 4.35Å
141	E	96	Very high	96.6	Very high	167 Å²	167	47.6 Å²	47.6	78%	0.78	26%	0.257	S	S	*	.	S	Bend	trans	-69.3	-25	176.5	-65.6	-179.6	174.9	0	0	112.1	K122	K122-E141 WeakPolarHBondContact CD-O 3.14Å; K122-E141 WeakPolarHBondContact CE-O 3.18Å; K122-E141 PolarHBondContact NZ-O 3.05Å
142	E	97.4	Very high	96.4	Very high	72 Å²	72	46.7 Å²	46.7	34%	0.336	25%	0.251	S	S	.	.	S	Bend	trans	-128.3	159.5	-167.4	-72.5	-58.6	163.9	0	0	112.6	K122 F140 R164	K122-E142 WeakPolarHBondContact CB-O 3.36Å; F140-E142 PolarHBondContact O-N 2.94Å; E142-R164 HydrophobicContact CB-CB 4.01Å; E142-R164 HydrophobicContact CG-CB 4.4Å; E142-R164 WeakPolarHBondContact OE2-CD 3.46Å
143	T	97.8	Very high	96	Very high	21 Å²	21	45 Å²	45	13%	0.129	24%	0.243	C	C	.	.			trans	-63.8	135.1	179.9	55.4	0	0	0	0	111.5	F120 K122 T163 R164	F120-T143 HydrophobicContact CB-CG2 4.45Å; K122-T143 HydrophobicContact CG-CG2 4.48Å; T143-T163 CarbonylContact O-C 3.45Å; T143-T163 WeakPolarHBondContact O-CA 3.4Å; T143-T163 WeakPolarHBondContact O-CB 3.19Å; T143-R164 PolarHBondContact O-N 3.17Å; T143-R164 PolarHBondContact OG1-NE 3.38Å
144	V	98.4	Very high	95.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	125.8	179.4	-169.7	0	0	0	0	110.4	S118 S119 F120 F140 V161 T163	S118-V144 WeakPolarHBondContact OG-CG1 3.44Å; S119-V144 PolarHBondContact O-N 2.98Å; F120-V144 VanDerWaalsContact CD1-O 3.24Å; F120-V144 WeakPolarHBondContact CD1-O 3.44Å; F120-V144 WeakPolarHBondContact CE1-O 3.11Å; F140-V144 HydrophobicContact CD2-CG2 3.43Å; F140-V144 VanDerWaalsContact CD2-CG2 3.43Å; F140-V144 HydrophobicContact CE2-CG2 3.86Å; F140-V144 HydrophobicContact CG-CG2 4.4Å; V144-V161 HydrophobicContact CG1-CG1 3.57Å; V144-V161 HydrophobicContact CG2-CG1 4.32Å; V144-T163 HydrophobicContact CG2-CG2 4.26Å
145	Y	98.4	Very high	95.5	Very high	14 Å²	14	48.4 Å²	48.4	6%	0.055	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-29.3	178.9	-83.4	-82.3	0	0	0	113.3	F120 G162 R164 E188 I189 L190	F120-Y145 AromaticContact CE1-CD1 3.85Å; F120-Y145 HydrophobicContact CE1-CD1 3.85Å; F120-Y145 AromaticContact CE1-CE1 3.91Å; F120-Y145 HydrophobicContact CE1-CE1 3.91Å; F120-Y145 HydrophobicContact CE1-CG 4.25Å; F120-Y145 AromaticContact CZ-CD1 3.99Å; F120-Y145 HydrophobicContact CZ-CD1 3.99Å; F120-Y145 AromaticContact CZ-CE1 3.64Å; F120-Y145 HydrophobicContact CZ-CE1 3.64Å; Y145-G162 PolarHBondContact N-O 3.03Å; Y145-R164 HydrophobicContact CE2-CB 4.01Å; Y145-R164 PolarHBondContact OH-NH2 3.44Å; Y145-E188 HydrophobicContact CE2-CB 4.46Å; Y145-E188 HydrophobicContact CE2-CG 4.45Å; Y145-I189 WeakPolarHBondContact CB-O 3.28Å; Y145-L190 HydrophobicContact CD1-CD2 3.73Å; Y145-L190 HydrophobicContact CD2-CD2 4.18Å; Y145-L190 HydrophobicContact CE1-CD2 3.77Å; Y145-L190 HydrophobicContact CE2-CD2 4.23Å; Y145-L190 HydrophobicContact CG-CD2 3.93Å
146	S	98.5	Very high	95.4	Very high	6 Å²	6	46.9 Å²	46.9	4%	0.042	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	140.5	-177.4	-170.5	0	0	0	0	110.1	G162 V192	S146-G162 PolarHBondContact N-O 3.08Å; S146-G162 PolarHBondContact O-N 2.89Å; S146-V192 PolarHBondContact OG-N 3.43Å
147	H	98.6	Very high	95.3	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.019	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	159.8	158.9	74.1	-100.9	0	0	0	110.9	T104 T116 S118 L124 V159 A160 V161	T104-H147 PolarHBondContact O-CE1 2.89Å; T104-H147 PolarHBondContact OG1-CE1 3.04Å; T104-H147 PolarHBondContact OG1-N 2.71Å; T104-H147 PolarHBondContact OG1-ND1 3.28Å; T116-H147 PolarHBondContact OG1-CD2 2.93Å; T116-H147 PolarHBondContact OG1-NE2 2.93Å; S118-H147 VanDerWaalsContact CB-ND1 3.31Å; S118-H147 WeakPolarHBondContact CB-ND1 3.46Å; S118-H147 PolarHBondContact OG-ND1 3.19Å; L124-H147 HydrophobicContact CD1-CB 4.19Å; H147-V159 HydrophobicContact CB-CG1 3.91Å; H147-A160 CarbonylContact C-O 3.52Å; H147-A160 WeakPolarHBondContact CA-O 3.49Å; H147-A160 WeakPolarHBondContact CB-O 3.25Å; H147-V161 HydrophobicContact CB-CG2 4.35Å
148	H	98.5	Very high	95.3	Very high	42 Å²	42	42.9 Å²	42.9	19%	0.194	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	141.7	172.6	-159.4	-97.2	0	0	0	111.4	Q106 A160 V192 W194	Q106-H148 PolarHBondContact NE2-CD2 3.23Å; Q106-H148 PolarHBondContact NE2-NE2 3.45Å; H148-A160 PolarHBondContact N-O 2.75Å; H148-A160 PolarHBondContact O-N 2.83Å; H148-V192 HydrophobicContact CB-CG2 4.2Å; H148-W194 AromaticContact ND1-CD1 3.44Å; H148-W194 AromaticContact ND1-CG 3.96Å; H148-W194 PolarHBondContact ND1-N 2.77Å; H148-W194 VanDerWaalsContact ND1-N 3.16Å; H148-W194 PolarHBondContact O-NE1 2.94Å
149	M	97.2	Very high	95.3	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.039	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	153.5	167.4	-71	178.9	-78.3	0	0	110.8	Y108 P109 T116 V159 L173 W194	Y108-M149 HydrophobicContact CD2-CE 4.35Å; Y108-M149 HydrophobicContact CD2-SD 4.02Å; Y108-M149 HydrophobicContact CE2-SD 4.25Å; P109-M149 HydrophobicContact CG-CB 3.99Å; T116-M149 HydrophobicContact CG2-CE 3.52Å; T116-M149 HydrophobicContact CG2-SD 4.29Å; T116-M149 VanDerWaalsContact OG1-CE 3.25Å; T116-M149 WeakPolarHBondContact OG1-CE 3.49Å; M149-V159 HydrophobicContact CG-CB 4.18Å; M149-V159 HydrophobicContact CG-CG1 4.16Å; M149-V159 HydrophobicContact CG-CG2 3.69Å; M149-V159 HydrophobicContact SD-CG2 3.91Å; M149-L173 HydrophobicContact SD-CD1 3.84Å; M149-W194 VanDerWaalsContact C-CD1 3.46Å
150	S	96.5	Very high	95.3	Very high	5 Å²	5	36.8 Å²	36.8	4%	0.035	19%	0.19	C	C	.	.			trans	-72.2	124.7	176.8	-178.6	0	0	0	0	110.6	V152 S153	S150-V152 PolarHBondContact O-N 2.8Å; S150-V152 WeakPolarHBondContact OG-CG1 3.48Å; S150-S153 WeakPolarHBondContact OG-CB 3.38Å; S150-S153 PolarHBondContact OG-N 2.9Å
151	P	94	Very high	95.4	Very high	59 Å²	59	36 Å²	36	38%	0.383	19%	0.186	S	C	.	.	S	Bend	trans	-77.2	-11.2	-180	32.9	-36.1	0	0	0	113.4	P109 H110 P196	P109-P151 HydrophobicContact CB-CB 4.44Å; H110-P151 PolarHBondContact NE2-O 3.25Å; P151-P196 HydrophobicContact CG-CB 4.21Å
152	V	92.1	Very high	95.5	Very high	54 Å²	54	28 Å²	28	33%	0.327	15%	0.149	S	C	.	.	S	Bend	trans	-103.9	-27.8	-178.6	63.2	0	0	0	0	112.5	S150 T154	S150-V152 PolarHBondContact O-N 2.8Å; S150-V152 WeakPolarHBondContact OG-CG1 3.48Å; V152-T154 PolarHBondContact O-N 2.84Å
153	S	85.4	Confident	95.5	Very high	5 Å²	5	24.8 Å²	24.8	4%	0.035	14%	0.135	C	C	.	.			trans	-86.5	117.2	-170.3	-175.1	0	0	0	0	111.9	H110 S150 K155 H156	H110-S153 PolarHBondContact CE1-O 2.76Å; S150-S153 WeakPolarHBondContact OG-CB 3.38Å; S150-S153 PolarHBondContact OG-N 2.9Å; S153-K155 PolarHBondContact OG-N 3Å; S153-H156 VanDerWaalsContact CB-NE2 3.31Å; S153-H156 WeakPolarHBondContact CB-NE2 3.24Å; S153-H156 PolarHBondContact OG-CD2 3.33Å; S153-H156 PolarHBondContact OG-N 2.79Å; S153-H156 PolarHBondContact OG-NE2 2.9Å
154	T	87.6	Confident	95.5	Very high	100 Å²	100	28.3 Å²	28.3	61%	0.613	15%	0.146	S	C	*	.	S	Bend	trans	-97.6	-3.1	160.8	56.9	0	0	0	0	111.8	V152	V152-T154 PolarHBondContact O-N 2.84Å
155	K	91.6	Very high	95.5	Very high	132 Å²	132	29 Å²	29	57%	0.574	15%	0.153	S	C	*	.	S	Bend	trans	-81.5	-27.2	-176.6	-64.6	176.9	-174	157	0	112.7	S153 D199 Y200	S153-K155 PolarHBondContact OG-N 3Å; K155-D199 WeakPolarHBondContact CD-OD2 3.23Å; K155-D199 WeakPolarHBondContact CE-OD2 3.36Å; K155-D199 IonicContact NZ-OD2 2.7Å; K155-D199 PolarHBondContact NZ-OD2 3.48Å; K155-Y200 WeakPolarHBondContact CB-OH 3.36Å; K155-Y200 HydrophobicContact CD-CE2 4.33Å
156	H	92.8	Very high	95.4	Very high	22 Å²	22	31.1 Å²	31.1	10%	0.102	17%	0.168	C	C	.	.			trans	-134.6	152.4	174.7	68.8	75.5	0	0	0	110.7	S153 L158 W194 D199 Y200	S153-H156 VanDerWaalsContact CB-NE2 3.31Å; S153-H156 WeakPolarHBondContact CB-NE2 3.24Å; S153-H156 PolarHBondContact OG-CD2 3.33Å; S153-H156 PolarHBondContact OG-N 2.79Å; S153-H156 PolarHBondContact OG-NE2 2.9Å; H156-L158 HydrophobicContact CB-CD1 4.23Å; H156-L158 HydrophobicContact CB-CG 4.08Å; H156-L158 WeakPolarHBondContact ND1-CB 3.46Å; H156-L158 PolarHBondContact ND1-N 3.35Å; H156-W194 AromaticContact CE1-CE3 3.97Å; H156-W194 AromaticContact CE1-CH2 3.25Å; H156-W194 WeakPolarHBondContact CE1-CH2 3.49Å; H156-W194 AromaticContact CE1-CZ2 3.82Å; H156-W194 AromaticContact CE1-CZ3 3.35Å; H156-W194 WeakPolarHBondContact CE1-CZ3 3.42Å; H156-W194 AromaticContact ND1-CH2 3.96Å; H156-W194 AromaticContact NE2-CH2 3.71Å; H156-W194 AromaticContact NE2-CZ3 3.4Å; H156-W194 WeakPolarHBondContact NE2-CZ3 3.46Å; H156-D199 PolarHBondContact NE2-O 3.49Å; H156-Y200 HydrophobicContact CB-CE1 4.48Å; H156-Y200 AromaticContact CD2-CD1 3.59Å; H156-Y200 AromaticContact CD2-CE1 3.5Å; H156-Y200 VanDerWaalsContact CD2-CE1 3.5Å; H156-Y200 WeakPolarHBondContact CD2-CE1 3.35Å
157	C	92.8	Very high	95.3	Very high	14 Å²	14	35.7 Å²	35.7	10%	0.095	19%	0.187	C	C	.	.			trans	-113.2	44.3	176.8	-59.9	0	0	0	0	110	Y108 L173 K174	Y108-C157 PolarHBondContact OH-SG 3.41Å; C157-L173 HydrophobicContact CB-CB 4.08Å; C157-L173 WeakPolarHBondContact O-CG 3.37Å; C157-L173 PolarHBondContact O-N 2.97Å; C157-K174 HydrophobicContact CB-CD 4.41Å; C157-K174 HydrophobicContact CB-CG 4.06Å; C157-K174 WeakPolarHBondContact SG-CE 3.31Å
158	L	95.7	Very high	95.3	Very high	30 Å²	30	35.5 Å²	35.5	16%	0.157	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	126	-178.3	-62.4	172.1	0	0	0	110.2	H156 C171 D172 W194 V216	H156-L158 HydrophobicContact CB-CD1 4.23Å; H156-L158 HydrophobicContact CB-CG 4.08Å; H156-L158 WeakPolarHBondContact ND1-CB 3.46Å; H156-L158 PolarHBondContact ND1-N 3.35Å; L158-C171 CarbonylContact C-O 3.56Å; L158-C171 VanDerWaalsContact CA-O 3.31Å; L158-C171 WeakPolarHBondContact CA-O 3.22Å; L158-D172 HydrophobicContact CD2-CB 3.76Å; L158-W194 HydrophobicContact CB-CH2 4.12Å; L158-W194 HydrophobicContact CB-CZ2 3.91Å; L158-W194 HydrophobicContact CD1-CH2 4.23Å; L158-V216 HydrophobicContact CD1-CB 4.42Å; L158-V216 HydrophobicContact CD1-CG2 4.01Å
159	V	97.7	Very high	95.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.5	165.5	-167.4	0	0	0	0	107.9	L124 H147 M149 V161 L170 C171 L173	L124-V159 HydrophobicContact CD1-CG1 4.35Å; L124-V159 HydrophobicContact CD2-CB 4.05Å; L124-V159 HydrophobicContact CD2-CG1 3.81Å; L124-V159 HydrophobicContact CD2-CG2 4.33Å; H147-V159 HydrophobicContact CB-CG1 3.91Å; M149-V159 HydrophobicContact CG-CB 4.18Å; M149-V159 HydrophobicContact CG-CG1 4.16Å; M149-V159 HydrophobicContact CG-CG2 3.69Å; M149-V159 HydrophobicContact SD-CG2 3.91Å; V159-V161 HydrophobicContact CG1-CG2 4.22Å; V159-L170 WeakPolarHBondContact O-CA 3.3Å; V159-C171 HydrophobicContact CB-CB 4.32Å; V159-C171 PolarHBondContact N-O 3.06Å; V159-C171 PolarHBondContact O-N 2.91Å; V159-L173 HydrophobicContact CG2-CD1 3.75Å; V159-L173 HydrophobicContact CG2-CD2 3.73Å; V159-L173 HydrophobicContact CG2-CG 3.69Å
160	A	98.1	Very high	95.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	135.1	169.2	0	0	0	0	0	109.3	H147 H148 L170 V192 W194 L202	H147-A160 CarbonylContact C-O 3.52Å; H147-A160 WeakPolarHBondContact CA-O 3.49Å; H147-A160 WeakPolarHBondContact CB-O 3.25Å; H148-A160 PolarHBondContact N-O 2.75Å; H148-A160 PolarHBondContact O-N 2.83Å; A160-L170 HydrophobicContact CB-CD2 3.78Å; A160-V192 HydrophobicContact CB-CB 4.3Å; A160-V192 HydrophobicContact CB-CG2 4.17Å; A160-W194 HydrophobicContact CB-CZ2 4.38Å; A160-L202 HydrophobicContact CB-CD1 3.53Å; A160-L202 HydrophobicContact CB-CD2 3.64Å; A160-L202 HydrophobicContact CB-CG 4.26Å
161	V	98.5	Very high	95.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	119.7	-177.3	-171.6	0	0	0	0	109.7	L124 F140 V144 H147 V159 T163 Q169	L124-V161 HydrophobicContact CD2-CG2 3.92Å; F140-V161 HydrophobicContact CD2-CG1 4.43Å; F140-V161 HydrophobicContact CE1-CG1 4.39Å; F140-V161 HydrophobicContact CE2-CG1 3.86Å; F140-V161 HydrophobicContact CZ-CB 4.22Å; F140-V161 HydrophobicContact CZ-CG1 3.83Å; F140-V161 HydrophobicContact CZ-CG2 3.94Å; V144-V161 HydrophobicContact CG1-CG1 3.57Å; V144-V161 HydrophobicContact CG2-CG1 4.32Å; H147-V161 HydrophobicContact CB-CG2 4.35Å; V159-V161 HydrophobicContact CG1-CG2 4.22Å; V161-T163 HydrophobicContact CG1-CG2 3.96Å; V161-Q169 HydrophobicContact CB-CB 4.44Å; V161-Q169 PolarHBondContact N-O 2.81Å; V161-Q169 PolarHBondContact O-N 3.27Å; V161-Q169 VanDerWaalsContact O-N 3.08Å
162	G	98.1	Very high	95.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118	171.7	0	0	0	0	0	110.5	Y145 S146 I189	Y145-G162 PolarHBondContact N-O 3.03Å; S146-G162 PolarHBondContact N-O 3.08Å; S146-G162 PolarHBondContact O-N 2.89Å; G162-I189 CarbonylContact C-O 3.52Å
163	T	98.2	Very high	95.1	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	179.8	179.3	67.6	0	0	0	0	111.2	F140 T143 V144 V161 G165 I189	F140-T163 HydrophobicContact CB-CG2 4.36Å; F140-T163 HydrophobicContact CG-CG2 4.35Å; T143-T163 CarbonylContact O-C 3.45Å; T143-T163 WeakPolarHBondContact O-CA 3.4Å; T143-T163 WeakPolarHBondContact O-CB 3.19Å; V144-T163 HydrophobicContact CG2-CG2 4.26Å; V161-T163 HydrophobicContact CG1-CG2 3.96Å; T163-G165 PolarHBondContact O-N 2.83Å; T163-G165 PolarHBondContact OG1-N 2.96Å; T163-G165 VanDerWaalsContact OG1-N 3.16Å; T163-I189 PolarHBondContact O-N 2.88Å
164	R	97.9	Very high	95.4	Very high	95 Å²	95	39.5 Å²	39.5	36%	0.358	20%	0.195	S	C	.	.	S	Bend	trans	-61.2	-24.1	167.4	-176.6	180	-64.7	-74.9	-3.1	112.1	E142 T143 Y145 E188	E142-R164 HydrophobicContact CB-CB 4.01Å; E142-R164 HydrophobicContact CG-CB 4.4Å; E142-R164 WeakPolarHBondContact OE2-CD 3.46Å; T143-R164 PolarHBondContact O-N 3.17Å; T143-R164 PolarHBondContact OG1-NE 3.38Å; Y145-R164 HydrophobicContact CE2-CB 4.01Å; Y145-R164 PolarHBondContact OH-NH2 3.44Å; R164-E188 HydrophobicContact CB-CG 4.12Å; R164-E188 HydrophobicContact CG-CG 3.58Å; R164-E188 IonicContact NH1-OE1 3.82Å; R164-E188 WeakPolarHBondContact O-CA 3.45Å; R164-E188 WeakPolarHBondContact O-CG 3.35Å
165	G	97.3	Very high	95.5	Very high	14 Å²	14	37.9 Å²	37.9	14%	0.144	19%	0.187	C	C	.	.	S	Bend	trans	-66.2	153	173.3	0	0	0	0	0	111.6	T163 K167 I189	T163-G165 PolarHBondContact O-N 2.83Å; T163-G165 PolarHBondContact OG1-N 2.96Å; T163-G165 VanDerWaalsContact OG1-N 3.16Å; G165-K167 PolarHBondContact O-N 2.91Å; G165-I189 WeakPolarHBondContact O-CD1 3.38Å
166	P	96.7	Very high	95.3	Very high	58 Å²	58	33.5 Å²	33.5	38%	0.377	18%	0.18	S	C	.	.	S	Bend	trans	-78.4	-4.5	178.3	31.6	-36.1	0	0	0	114.1	H185 Q187	P166-H185 WeakPolarHBondContact O-CB 3.27Å; P166-Q187 WeakPolarHBondContact CA-O 3.44Å
167	K	96.7	Very high	95.2	Very high	102 Å²	102	34.9 Å²	34.9	44%	0.443	19%	0.192	S	C	.	.	S	Bend	trans	-95.4	124.5	179.5	-74.3	174.2	176.1	-179.1	0	108.9	G165 I181 I189	G165-K167 PolarHBondContact O-N 2.91Å; K167-I181 HydrophobicContact CB-CG2 3.73Å; K167-I181 HydrophobicContact CD-CG2 4.03Å; K167-I181 HydrophobicContact CG-CG2 3.92Å; K167-I189 VanDerWaalsContact C-CD1 3.48Å; K167-I189 WeakPolarHBondContact O-CD1 3.49Å
168	V	97.2	Very high	95	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	128.5	172.4	179.3	0	0	0	0	107.3	I181 L182 I189 V192 L202 T204	V168-I181 WeakPolarHBondContact O-CA 3.43Å; V168-L182 HydrophobicContact CB-CB 4.15Å; V168-L182 HydrophobicContact CG1-CD1 4.37Å; V168-L182 PolarHBondContact N-O 3.05Å; V168-L182 VanDerWaalsContact N-O 3.1Å; V168-L182 PolarHBondContact O-N 3Å; V168-I189 HydrophobicContact CB-CD1 4.27Å; V168-I189 HydrophobicContact CG2-CD1 3.53Å; V168-I189 HydrophobicContact CG2-CG1 3.81Å; V168-I189 HydrophobicContact CG2-CG2 4.3Å; V168-V192 HydrophobicContact CG1-CG1 4.45Å; V168-L202 HydrophobicContact CG1-CD2 4.3Å; V168-T204 HydrophobicContact CG1-CG2 4.06Å; V168-T204 HydrophobicContact CG2-CG2 3.85Å
169	Q	96.6	Very high	94.3	Very high	38 Å²	38	40 Å²	40	18%	0.178	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.5	-179.3	-71.1	177.3	-48	0	0	109.8	V161	V161-Q169 HydrophobicContact CB-CB 4.44Å; V161-Q169 PolarHBondContact N-O 2.81Å; V161-Q169 PolarHBondContact O-N 3.27Å; V161-Q169 VanDerWaalsContact O-N 3.08Å
170	L	96.9	Very high	94	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118.5	172.9	-56.3	-176.5	0	0	0	108.2	V159 A160 H180 L182 L202 V216	V159-L170 WeakPolarHBondContact O-CA 3.3Å; A160-L170 HydrophobicContact CB-CD2 3.78Å; L170-H180 HydrophobicContact CB-CB 4.14Å; L170-H180 PolarHBondContact N-O 2.89Å; L170-L182 HydrophobicContact CD1-CD1 4.1Å; L170-L182 HydrophobicContact CD1-CD2 4.32Å; L170-L182 HydrophobicContact CD1-CG 4.12Å; L170-L182 HydrophobicContact CD2-CD1 4.29Å; L170-L182 HydrophobicContact CG-CD1 4.35Å; L170-L182 HydrophobicContact CG-CG 4.36Å; L170-L202 HydrophobicContact CD2-CD2 3.82Å; L170-V216 HydrophobicContact CD1-CB 3.85Å; L170-V216 HydrophobicContact CD1-CG1 3.71Å
171	C	96.3	Very high	93.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.8	177.4	-61.7	0	0	0	0	109.1	L124 F138 L158 V159 S177	L124-C171 HydrophobicContact CD2-CB 4.31Å; F138-C171 HydrophobicContact CD1-CB 4.27Å; F138-C171 HydrophobicContact CE1-CB 4.16Å; F138-C171 HydrophobicContact CG-CB 4.46Å; F138-C171 HydrophobicContact CZ-CB 4.3Å; L158-C171 CarbonylContact C-O 3.56Å; L158-C171 VanDerWaalsContact CA-O 3.31Å; L158-C171 WeakPolarHBondContact CA-O 3.22Å; V159-C171 HydrophobicContact CB-CB 4.32Å; V159-C171 PolarHBondContact N-O 3.06Å; V159-C171 PolarHBondContact O-N 2.91Å; C171-S177 CarbonylContact C-O 3.58Å; C171-S177 WeakPolarHBondContact CA-O 3.28Å
172	D	94.1	Very high	93.7	Very high	43 Å²	43	47.2 Å²	47.2	23%	0.23	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	113.6	173.4	178	27.2	0	0	0	110.2	L158 K174 S175 G176 S177	L158-D172 HydrophobicContact CD2-CB 3.76Å; D172-K174 VanDerWaalsContact C-N 3.27Å; D172-K174 PolarHBondContact O-N 2.97Å; D172-K174 PolarHBondContact OD1-N 3.3Å; D172-K174 VanDerWaalsContact OD1-N 3.17Å; D172-S175 WeakPolarHBondContact CB-OG 3.45Å; D172-S175 VanDerWaalsContact CG-OG 3.3Å; D172-S175 PolarHBondContact O-N 2.96Å; D172-S175 WeakPolarHBondContact OD2-CB 3.39Å; D172-S175 PolarHBondContact OD2-N 2.98Å; D172-S175 PolarHBondContact OD2-OG 3.24Å; D172-G176 PolarHBondContact O-N 2.99Å; D172-S177 PolarHBondContact N-O 3.28Å; D172-S177 PolarHBondContact O-N 3.04Å
173	L	91.9	Very high	93.5	Very high	23 Å²	23	54.1 Å²	54.1	12%	0.12	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-27	-179.8	-59.6	179.3	0	0	0	112.4	Y108 V126 F138 M149 C157 V159	Y108-L173 HydrophobicContact CD2-CD1 4.3Å; Y108-L173 HydrophobicContact CE2-CD1 3.77Å; V126-L173 HydrophobicContact CG2-CD2 3.61Å; F138-L173 HydrophobicContact CE2-CD2 3.71Å; F138-L173 HydrophobicContact CZ-CD2 4.14Å; M149-L173 HydrophobicContact SD-CD1 3.84Å; C157-L173 HydrophobicContact CB-CB 4.08Å; C157-L173 WeakPolarHBondContact O-CG 3.37Å; C157-L173 PolarHBondContact O-N 2.97Å; V159-L173 HydrophobicContact CG2-CD1 3.75Å; V159-L173 HydrophobicContact CG2-CD2 3.73Å; V159-L173 HydrophobicContact CG2-CG 3.69Å
174	K	90	Very high	93.3	Very high	152 Å²	152	55.5 Å²	55.5	66%	0.661	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-33.5	-179.9	-82.1	178.8	173.1	167.3	0	113	C157 D172	C157-K174 HydrophobicContact CB-CD 4.41Å; C157-K174 HydrophobicContact CB-CG 4.06Å; C157-K174 WeakPolarHBondContact SG-CE 3.31Å; D172-K174 VanDerWaalsContact C-N 3.27Å; D172-K174 PolarHBondContact O-N 2.97Å; D172-K174 PolarHBondContact OD1-N 3.3Å; D172-K174 VanDerWaalsContact OD1-N 3.17Å
175	S	90	Very high	93.2	Very high	65 Å²	65	51.6 Å²	51.6	46%	0.455	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-6.9	-177.6	59.8	0	0	0	0	113.6	D172 S177	D172-S175 WeakPolarHBondContact CB-OG 3.45Å; D172-S175 VanDerWaalsContact CG-OG 3.3Å; D172-S175 PolarHBondContact O-N 2.96Å; D172-S175 WeakPolarHBondContact OD2-CB 3.39Å; D172-S175 PolarHBondContact OD2-N 2.98Å; D172-S175 PolarHBondContact OD2-OG 3.24Å; S175-S177 PolarHBondContact O-N 3.41Å; S175-S177 PolarHBondContact O-OG 3.32Å; S175-S177 WeakPolarHBondContact OG-CB 3.24Å
176	G	88.3	Confident	93.2	Very high	40 Å²	40	57.8 Å²	57.8	41%	0.412	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	19.1	-172.2	0	0	0	0	0	113.3	F138 D172	F138-G176 WeakPolarHBondContact CE1-O 3.29Å; D172-G176 PolarHBondContact O-N 2.99Å
177	S	90	Very high	93.2	Very high	52 Å²	52	59.3 Å²	59.3	36%	0.364	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	142.5	-173.3	-66.1	0	0	0	0	112.7	C171 D172 S175	C171-S177 CarbonylContact C-O 3.58Å; C171-S177 WeakPolarHBondContact CA-O 3.28Å; D172-S177 PolarHBondContact N-O 3.28Å; D172-S177 PolarHBondContact O-N 3.04Å; S175-S177 PolarHBondContact O-N 3.41Å; S175-S177 PolarHBondContact O-OG 3.32Å; S175-S177 WeakPolarHBondContact OG-CB 3.24Å
178	C	88.9	Confident	93.3	Very high	48 Å²	48	56.8 Å²	56.8	32%	0.324	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	27.2	176.3	64	0	0	0	0	113.5	F138	F138-C178 HydrophobicContact CD1-CB 4.18Å
179	S	81.6	Confident	93.4	Very high	104 Å²	104	56.8 Å²	56.8	73%	0.727	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	-20	-169.6	54.8	0	0	0	0	114.6
180	H	90.3	Very high	93.4	Very high	73 Å²	73	55.2 Å²	55.2	34%	0.338	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	122.8	-174.3	-163	-65.7	0	0	0	110.9	L170	L170-H180 HydrophobicContact CB-CB 4.14Å; L170-H180 PolarHBondContact N-O 2.89Å
181	I	94.2	Very high	93.5	Very high	69 Å²	69	55.6 Å²	55.6	35%	0.354	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	132	-173.2	-63.6	172.2	0	0	0	109.5	K167 V168	K167-I181 HydrophobicContact CB-CG2 3.73Å; K167-I181 HydrophobicContact CD-CG2 4.03Å; K167-I181 HydrophobicContact CG-CG2 3.92Å; V168-I181 WeakPolarHBondContact O-CA 3.43Å
182	L	95.6	Very high	93.6	Very high	8 Å²	8	55.8 Å²	55.8	4%	0.042	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	117.3	168.8	-50.4	171.1	0	0	0	108.9	V168 L170 L202 W214	V168-L182 HydrophobicContact CB-CB 4.15Å; V168-L182 HydrophobicContact CG1-CD1 4.37Å; V168-L182 PolarHBondContact N-O 3.05Å; V168-L182 VanDerWaalsContact N-O 3.1Å; V168-L182 PolarHBondContact O-N 3Å; L170-L182 HydrophobicContact CD1-CD1 4.1Å; L170-L182 HydrophobicContact CD1-CD2 4.32Å; L170-L182 HydrophobicContact CD1-CG 4.12Å; L170-L182 HydrophobicContact CD2-CD1 4.29Å; L170-L182 HydrophobicContact CG-CD1 4.35Å; L170-L182 HydrophobicContact CG-CG 4.36Å; L182-L202 HydrophobicContact CD1-CD2 3.78Å; L182-W214 HydrophobicContact CB-CD2 4.1Å; L182-W214 HydrophobicContact CB-CE3 3.93Å; L182-W214 HydrophobicContact CB-CH2 4.28Å; L182-W214 HydrophobicContact CB-CZ2 4.43Å; L182-W214 HydrophobicContact CB-CZ3 4.03Å; L182-W214 HydrophobicContact CD1-CB 3.92Å; L182-W214 HydrophobicContact CD1-CD2 3.96Å; L182-W214 HydrophobicContact CD1-CE3 4.35Å; L182-W214 HydrophobicContact CD1-CG 3.76Å; L182-W214 HydrophobicContact CD2-CE3 4.24Å; L182-W214 HydrophobicContact CG-CD2 4.47Å; L182-W214 HydrophobicContact CG-CE3 4.41Å
183	Q	95.1	Very high	93.8	Very high	145 Å²	145	54.4 Å²	54.4	68%	0.678	30%	0.3	S	S	*	.			trans	-106.5	133.3	-176.4	-174.5	173.4	-17.7	0	0	111.1	W214	Q183-W214 VanDerWaalsContact O-CH2 3.3Å; Q183-W214 WeakPolarHBondContact O-CH2 3.22Å
184	G	93.4	Very high	94.1	Very high	34 Å²	34	53.4 Å²	53.4	35%	0.351	30%	0.295	S	S	.	.			trans	159.9	-18.6	173.4	0	0	0	0	0	115.4	K212	G184-K212 WeakPolarHBondContact O-CE 3.2Å
185	H	96.9	Very high	94.5	Very high	13 Å²	13	46.1 Å²	46.1	6%	0.06	26%	0.263	C	S	.	.			trans	-75.4	160.8	167.5	-78	-66.3	0	0	0	111.3	P166 T204 S206 D208	P166-H185 WeakPolarHBondContact O-CB 3.27Å; H185-T204 PolarHBondContact CD2-OG1 3.11Å; H185-T204 PolarHBondContact NE2-OG1 2.7Å; H185-S206 WeakPolarHBondContact ND1-CB 3.21Å; H185-D208 VanDerWaalsContact CA-OD2 3.27Å; H185-D208 WeakPolarHBondContact CA-OD2 3.47Å; H185-D208 WeakPolarHBondContact CB-OD2 3.31Å; H185-D208 IonicContact CE1-OD1 3.04Å; H185-D208 IonicContact CG-OD2 3.47Å; H185-D208 IonicContact ND1-OD1 3.46Å; H185-D208 PolarHBondContact ND1-OD1 3.45Å; H185-D208 IonicContact ND1-OD2 3.79Å; H185-D208 PolarHBondContact ND1-OD2 3.41Å
186	R	96.7	Very high	94.9	Very high	144 Å²	144	45.1 Å²	45.1	54%	0.543	26%	0.255	S	S	.	.			trans	-119.1	-11.2	-176	-64.9	-179.4	177.4	-170.9	-5.1	114.4	D208 E238	R186-D208 HydrophobicContact CB-CB 4.19Å; R186-D208 PolarHBondContact N-OD2 2.87Å; R186-E238 IonicContact CZ-OE2 3.03Å; R186-E238 IonicContact NH1-OE2 2.89Å; R186-E238 PolarHBondContact NH1-OE2 3.47Å; R186-E238 IonicContact NH2-OE2 3.46Å
187	Q	97.5	Very high	95.2	Very high	91 Å²	91	49.3 Å²	49.3	43%	0.425	26%	0.258	S	S	.	.	S	Bend	trans	-140	-172.1	-180	-61.2	-173.5	-4	0	0	110.3	P166 S206 A207 D208	P166-Q187 WeakPolarHBondContact CA-O 3.44Å; Q187-S206 PolarHBondContact O-OG 3.17Å; Q187-S206 VanDerWaalsContact O-OG 3.07Å; Q187-A207 HydrophobicContact CB-CB 3.83Å; Q187-A207 PolarHBondContact OE1-O 2.7Å; Q187-D208 HydrophobicContact CB-CB 4.03Å; Q187-D208 HydrophobicContact CG-CB 4.02Å
188	E	97.7	Very high	95.6	Very high	49 Å²	49	51.1 Å²	51.1	23%	0.229	26%	0.258	C	S	.	.			trans	-52.4	141	-177.5	-57.5	89.9	167.9	0	0	112.4	Y145 R164 L190 S206 A207	Y145-E188 HydrophobicContact CE2-CB 4.46Å; Y145-E188 HydrophobicContact CE2-CG 4.45Å; R164-E188 HydrophobicContact CB-CG 4.12Å; R164-E188 HydrophobicContact CG-CG 3.58Å; R164-E188 IonicContact NH1-OE1 3.82Å; R164-E188 WeakPolarHBondContact O-CA 3.45Å; R164-E188 WeakPolarHBondContact O-CG 3.35Å; E188-L190 HydrophobicContact CB-CD2 4.03Å; E188-S206 CarbonylContact O-C 3.52Å; E188-S206 WeakPolarHBondContact O-CA 3.28Å; E188-S206 VanDerWaalsContact O-CB 3.29Å; E188-S206 WeakPolarHBondContact O-CB 3.47Å; E188-S206 PolarHBondContact O-OG 3.12Å; E188-A207 HydrophobicContact CB-CB 4.17Å; E188-A207 PolarHBondContact O-N 2.91Å; E188-A207 WeakPolarHBondContact OE2-CB 3.34Å
189	I	98.4	Very high	95.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	110.9	172.3	-58.3	128.3	0	0	0	107.8	Y145 G162 T163 G165 K167 V168 V192 A205	Y145-I189 WeakPolarHBondContact CB-O 3.28Å; G162-I189 CarbonylContact C-O 3.52Å; T163-I189 PolarHBondContact O-N 2.88Å; G165-I189 WeakPolarHBondContact O-CD1 3.38Å; K167-I189 VanDerWaalsContact C-CD1 3.48Å; K167-I189 WeakPolarHBondContact O-CD1 3.49Å; V168-I189 HydrophobicContact CB-CD1 4.27Å; V168-I189 HydrophobicContact CG2-CD1 3.53Å; V168-I189 HydrophobicContact CG2-CG1 3.81Å; V168-I189 HydrophobicContact CG2-CG2 4.3Å; I189-V192 HydrophobicContact CG2-CG1 3.6Å; I189-A205 CarbonylContact C-O 3.56Å
190	L	98.5	Very high	96.6	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.026	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-21.7	-171	-60.9	178.5	0	0	0	112.9	Y145 E188 A205 A207 K247 N249 G294	Y145-L190 HydrophobicContact CD1-CD2 3.73Å; Y145-L190 HydrophobicContact CD2-CD2 4.18Å; Y145-L190 HydrophobicContact CE1-CD2 3.77Å; Y145-L190 HydrophobicContact CE2-CD2 4.23Å; Y145-L190 HydrophobicContact CG-CD2 3.93Å; E188-L190 HydrophobicContact CB-CD2 4.03Å; L190-A205 PolarHBondContact N-O 2.98Å; L190-A207 HydrophobicContact CD1-CB 4.14Å; L190-K247 HydrophobicContact CD1-CB 4.21Å; L190-K247 HydrophobicContact CD1-CD 4.46Å; L190-N249 HydrophobicContact CB-CB 3.89Å; L190-N249 HydrophobicContact CD1-CB 3.6Å; L190-N249 HydrophobicContact CG-CB 4.4Å; L190-G294 WeakPolarHBondContact O-CA 3.28Å
191	A	98.6	Very high	97	Very high	9 Å²	9	46 Å²	46	7%	0.074	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	143.3	174	0	0	0	0	0	111.3	A205 L251	A191-A205 HydrophobicContact CB-CB 4.23Å; A191-A205 PolarHBondContact N-O 2.77Å; A191-A205 PolarHBondContact O-N 3.22Å; A191-L251 HydrophobicContact CB-CB 4.12Å; A191-L251 HydrophobicContact CB-CD1 4.18Å; A191-L251 HydrophobicContact CB-CG 4.26Å
192	V	98.6	Very high	97.1	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.03	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	140.5	170.4	-62.8	0	0	0	0	108.3	S146 H148 A160 V168 I189 L202 A203 T204	S146-V192 PolarHBondContact OG-N 3.43Å; H148-V192 HydrophobicContact CB-CG2 4.2Å; A160-V192 HydrophobicContact CB-CB 4.3Å; A160-V192 HydrophobicContact CB-CG2 4.17Å; V168-V192 HydrophobicContact CG1-CG1 4.45Å; I189-V192 HydrophobicContact CG2-CG1 3.6Å; V192-L202 HydrophobicContact CB-CD1 4.44Å; V192-A203 WeakPolarHBondContact CA-O 3.25Å; V192-T204 HydrophobicContact CG1-CG2 4.07Å
193	S	98.4	Very high	97.3	Very high	13 Å²	13	42.3 Å²	42.3	9%	0.091	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	133.1	179.2	-175.6	0	0	0	0	110.2	A203	S193-A203 PolarHBondContact N-O 2.87Å; S193-A203 PolarHBondContact O-N 3.32Å
194	W	98.4	Very high	97.5	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	148.9	176.7	-72.2	82.2	0	0	0	110.9	H148 M149 H156 L158 A160 L202 V216 F253	H148-W194 AromaticContact ND1-CD1 3.44Å; H148-W194 AromaticContact ND1-CG 3.96Å; H148-W194 PolarHBondContact ND1-N 2.77Å; H148-W194 VanDerWaalsContact ND1-N 3.16Å; H148-W194 PolarHBondContact O-NE1 2.94Å; M149-W194 VanDerWaalsContact C-CD1 3.46Å; H156-W194 AromaticContact CE1-CE3 3.97Å; H156-W194 AromaticContact CE1-CH2 3.25Å; H156-W194 WeakPolarHBondContact CE1-CH2 3.49Å; H156-W194 AromaticContact CE1-CZ2 3.82Å; H156-W194 AromaticContact CE1-CZ3 3.35Å; H156-W194 WeakPolarHBondContact CE1-CZ3 3.42Å; H156-W194 AromaticContact ND1-CH2 3.96Å; H156-W194 AromaticContact NE2-CH2 3.71Å; H156-W194 AromaticContact NE2-CZ3 3.4Å; H156-W194 WeakPolarHBondContact NE2-CZ3 3.46Å; L158-W194 HydrophobicContact CB-CH2 4.12Å; L158-W194 HydrophobicContact CB-CZ2 3.91Å; L158-W194 HydrophobicContact CD1-CH2 4.23Å; A160-W194 HydrophobicContact CB-CZ2 4.38Å; W194-L202 HydrophobicContact CD2-CB 4.35Å; W194-L202 HydrophobicContact CD2-CD1 4.05Å; W194-L202 HydrophobicContact CE3-CB 4.32Å; W194-L202 HydrophobicContact CG-CD1 3.97Å; W194-V216 HydrophobicContact CH2-CB 4.16Å; W194-V216 HydrophobicContact CH2-CG1 3.47Å; W194-V216 VanDerWaalsContact CH2-CG1 3.47Å; W194-V216 HydrophobicContact CH2-CG2 3.77Å; W194-V216 HydrophobicContact CZ2-CG1 4.24Å; W194-V216 HydrophobicContact CZ3-CG1 3.84Å; W194-V216 HydrophobicContact CZ3-CG2 3.96Å; W194-F253 WeakPolarHBondContact O-CD2 3.32Å
195	S	98.1	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.15	C	C	.	.			trans	-65.7	131.7	173.1	-178.5	0	0	0	0	110.2	R197 Y198 I201	S195-R197 PolarHBondContact O-N 2.7Å; S195-R197 PolarHBondContact OG-N 2.9Å; S195-Y198 PolarHBondContact OG-N 3.44Å; S195-I201 PolarHBondContact N-O 3.17Å
196	P	96.9	Very high	97.8	Very high	43 Å²	43	33.1 Å²	33.1	28%	0.279	15%	0.147	S	C	.	.	S	Bend	trans	-74.9	-5.6	172.6	32	-35.4	0	0	0	112.6	P151 F253	P151-P196 HydrophobicContact CG-CB 4.21Å; P196-F253 VanDerWaalsContact CD-CB 3.47Å; P196-F253 HydrophobicContact CG-CB 3.94Å
197	R	96.6	Very high	97.8	Very high	128 Å²	128	26.4 Å²	26.4	48%	0.483	12%	0.122	S	C	.	.	S	Bend	trans	-105.7	-39	-176.1	-177.1	178.5	-175.3	78.5	5.1	113.4	S195 D256	S195-R197 PolarHBondContact O-N 2.7Å; S195-R197 PolarHBondContact OG-N 2.9Å; R197-D256 WeakPolarHBondContact CB-O 3.46Å; R197-D256 WeakPolarHBondContact CD-O 3.46Å
198	Y	96.6	Very high	97.8	Very high	90 Å²	90	22.9 Å²	22.9	35%	0.353	11%	0.106	S	C	.	.			trans	-117.5	120	-171.6	-59	-63.6	0	0	0	110.5	S195 Y200 I201	S195-Y198 PolarHBondContact OG-N 3.44Å; Y198-Y200 VanDerWaalsContact C-N 3.27Å; Y198-Y200 PolarHBondContact O-N 3.03Å; Y198-Y200 VanDerWaalsContact O-N 3.1Å; Y198-I201 VanDerWaalsContact CB-CG1 3.42Å; Y198-I201 HydrophobicContact CD2-CG1 4.16Å; Y198-I201 HydrophobicContact CG-CG1 4.06Å; Y198-I201 PolarHBondContact O-N 3.19Å
199	D	95.9	Very high	97.8	Very high	35 Å²	35	21.9 Å²	21.9	19%	0.187	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-47.7	-174.3	-72.9	-23.3	0	0	0	113.9	K155 H156	K155-D199 WeakPolarHBondContact CD-OD2 3.23Å; K155-D199 WeakPolarHBondContact CE-OD2 3.36Å; K155-D199 IonicContact NZ-OD2 2.7Å; K155-D199 PolarHBondContact NZ-OD2 3.48Å; H156-D199 PolarHBondContact NE2-O 3.49Å
200	Y	96.7	Very high	97.8	Very high	54 Å²	54	23.3 Å²	23.3	21%	0.212	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	8.2	-167.9	-61.7	-79.3	0	0	0	114.2	K155 H156 Y198 D215 V216 R217	K155-Y200 WeakPolarHBondContact CB-OH 3.36Å; K155-Y200 HydrophobicContact CD-CE2 4.33Å; H156-Y200 HydrophobicContact CB-CE1 4.48Å; H156-Y200 AromaticContact CD2-CD1 3.59Å; H156-Y200 AromaticContact CD2-CE1 3.5Å; H156-Y200 VanDerWaalsContact CD2-CE1 3.5Å; H156-Y200 WeakPolarHBondContact CD2-CE1 3.35Å; Y198-Y200 VanDerWaalsContact C-N 3.27Å; Y198-Y200 PolarHBondContact O-N 3.03Å; Y198-Y200 VanDerWaalsContact O-N 3.1Å; Y200-D215 WeakPolarHBondContact CB-OD1 3.46Å; Y200-D215 WeakPolarHBondContact O-CA 3.29Å; Y200-V216 HydrophobicContact CD1-CG2 3.76Å; Y200-V216 HydrophobicContact CG-CG2 4.39Å; Y200-V216 PolarHBondContact O-N 3.33Å; Y200-R217 HydrophobicContact CD1-CG 3.52Å; Y200-R217 HydrophobicContact CD2-CG 4.37Å; Y200-R217 HydrophobicContact CE1-CG 3.92Å; Y200-R217 VanDerWaalsContact CG-CD 3.49Å; Y200-R217 HydrophobicContact CG-CG 3.75Å
201	I	97.5	Very high	97.8	Very high	28 Å²	28	23 Å²	23	14%	0.144	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.9	-176.7	-59.1	-63	0	0	0	110.9	S195 Y198 L213 W214 D215 L223	S195-I201 PolarHBondContact N-O 3.17Å; Y198-I201 VanDerWaalsContact CB-CG1 3.42Å; Y198-I201 HydrophobicContact CD2-CG1 4.16Å; Y198-I201 HydrophobicContact CG-CG1 4.06Å; Y198-I201 PolarHBondContact O-N 3.19Å; I201-L213 HydrophobicContact CG2-CD2 4Å; I201-W214 VanDerWaalsContact CA-O 3.3Å; I201-W214 WeakPolarHBondContact CA-O 3.39Å; I201-D215 HydrophobicContact CD1-CB 4.24Å; I201-L223 HydrophobicContact CD1-CD1 3.45Å; I201-L223 VanDerWaalsContact CD1-CD1 3.45Å
202	L	98.1	Very high	97.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.8	176.4	175.3	67.9	0	0	0	110	A160 V168 L170 L182 V192 W194 T204 L213 W214 V216	A160-L202 HydrophobicContact CB-CD1 3.53Å; A160-L202 HydrophobicContact CB-CD2 3.64Å; A160-L202 HydrophobicContact CB-CG 4.26Å; V168-L202 HydrophobicContact CG1-CD2 4.3Å; L170-L202 HydrophobicContact CD2-CD2 3.82Å; L182-L202 HydrophobicContact CD1-CD2 3.78Å; V192-L202 HydrophobicContact CB-CD1 4.44Å; W194-L202 HydrophobicContact CD2-CB 4.35Å; W194-L202 HydrophobicContact CD2-CD1 4.05Å; W194-L202 HydrophobicContact CE3-CB 4.32Å; W194-L202 HydrophobicContact CG-CD1 3.97Å; L202-T204 HydrophobicContact CD2-CG2 3.91Å; L202-T204 HydrophobicContact CG-CG2 3.91Å; L202-L213 CarbonylContact O-C 3.38Å; L202-L213 VanDerWaalsContact O-CA 3.28Å; L202-L213 WeakPolarHBondContact O-CA 3.45Å; L202-W214 PolarHBondContact N-O 3.48Å; L202-W214 PolarHBondContact O-N 3.03Å; L202-V216 HydrophobicContact CB-CG1 4.07Å; L202-V216 HydrophobicContact CD2-CG1 4.45Å
203	A	98.6	Very high	97.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	139.5	167.1	0	0	0	0	0	110.7	V192 S193 K212 L213 L251 F253 L260	V192-A203 WeakPolarHBondContact CA-O 3.25Å; S193-A203 PolarHBondContact N-O 2.87Å; S193-A203 PolarHBondContact O-N 3.32Å; A203-K212 WeakPolarHBondContact CA-O 3.38Å; A203-L213 HydrophobicContact CB-CD1 4.39Å; A203-L213 HydrophobicContact CB-CG 4.2Å; A203-L251 HydrophobicContact CB-CD1 4.22Å; A203-F253 HydrophobicContact CB-CE2 3.75Å; A203-F253 HydrophobicContact CB-CZ 3.84Å; A203-L260 HydrophobicContact CB-CD1 4.35Å; A203-L260 HydrophobicContact CB-CD2 3.85Å
204	T	98.7	Very high	97.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.5	179.4	63.5	0	0	0	0	110.2	V168 H185 V192 L202 V211 K212 W214	V168-T204 HydrophobicContact CG1-CG2 4.06Å; V168-T204 HydrophobicContact CG2-CG2 3.85Å; H185-T204 PolarHBondContact CD2-OG1 3.11Å; H185-T204 PolarHBondContact NE2-OG1 2.7Å; V192-T204 HydrophobicContact CG1-CG2 4.07Å; L202-T204 HydrophobicContact CD2-CG2 3.91Å; L202-T204 HydrophobicContact CG-CG2 3.91Å; T204-V211 CarbonylContact O-C 3.52Å; T204-V211 VanDerWaalsContact O-CA 3.25Å; T204-V211 WeakPolarHBondContact O-CA 3.49Å; T204-V211 WeakPolarHBondContact O-CG1 3.19Å; T204-K212 PolarHBondContact N-O 2.88Å; T204-K212 PolarHBondContact O-N 3.43Å; T204-K212 PolarHBondContact OG1-O 3.48Å; T204-W214 PolarHBondContact OG1-NE1 2.95Å
205	A	98.6	Very high	97.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.6	179.7	0	0	0	0	0	110.6	I189 L190 A191 V211 V248 L251	I189-A205 CarbonylContact C-O 3.56Å; L190-A205 PolarHBondContact N-O 2.98Å; A191-A205 HydrophobicContact CB-CB 4.23Å; A191-A205 PolarHBondContact N-O 2.77Å; A191-A205 PolarHBondContact O-N 3.22Å; A205-V211 HydrophobicContact CB-CG2 3.99Å; A205-V248 HydrophobicContact CB-CB 3.96Å; A205-V248 HydrophobicContact CB-CG1 3.74Å; A205-L251 HydrophobicContact CB-CD1 3.39Å; A205-L251 HydrophobicContact CB-CD2 4.34Å; A205-L251 HydrophobicContact CB-CG 3.61Å
206	S	98.4	Very high	97.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	158.3	-173.8	173.7	0	0	0	0	112.7	H185 Q187 E188 D208 S209 R210 V248	H185-S206 WeakPolarHBondContact ND1-CB 3.21Å; Q187-S206 PolarHBondContact O-OG 3.17Å; Q187-S206 VanDerWaalsContact O-OG 3.07Å; E188-S206 CarbonylContact O-C 3.52Å; E188-S206 WeakPolarHBondContact O-CA 3.28Å; E188-S206 VanDerWaalsContact O-CB 3.29Å; E188-S206 WeakPolarHBondContact O-CB 3.47Å; E188-S206 PolarHBondContact O-OG 3.12Å; S206-D208 VanDerWaalsContact CB-OD1 3.25Å; S206-D208 WeakPolarHBondContact CB-OD1 3.42Å; S206-D208 PolarHBondContact O-N 3.4Å; S206-D208 VanDerWaalsContact OG-CG 3.28Å; S206-D208 PolarHBondContact OG-N 2.82Å; S206-D208 PolarHBondContact OG-OD1 3.12Å; S206-S209 PolarHBondContact O-N 2.73Å; S206-R210 PolarHBondContact N-O 3.22Å; S206-V248 CarbonylContact C-O 3.47Å; S206-V248 PolarHBondContact O-N 3.15Å
207	A	98.3	Very high	97.4	Very high	2 Å²	2	29.6 Å²	29.6	2%	0.017	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-18.1	167.7	0	0	0	0	0	113.2	Q187 E188 L190 S209 K247	Q187-A207 HydrophobicContact CB-CB 3.83Å; Q187-A207 PolarHBondContact OE1-O 2.7Å; E188-A207 HydrophobicContact CB-CB 4.17Å; E188-A207 PolarHBondContact O-N 2.91Å; E188-A207 WeakPolarHBondContact OE2-CB 3.34Å; L190-A207 HydrophobicContact CD1-CB 4.14Å; A207-S209 PolarHBondContact O-N 3.48Å; A207-K247 HydrophobicContact CB-CB 4.27Å; A207-K247 HydrophobicContact CB-CD 3.79Å; A207-K247 HydrophobicContact CB-CG 3.91Å
208	D	97.2	Very high	97.3	Very high	17 Å²	17	30.3 Å²	30.3	9%	0.091	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	7.4	175.1	69.8	10.6	0	0	0	114.3	H185 R186 Q187 S206 R210	H185-D208 VanDerWaalsContact CA-OD2 3.27Å; H185-D208 WeakPolarHBondContact CA-OD2 3.47Å; H185-D208 WeakPolarHBondContact CB-OD2 3.31Å; H185-D208 IonicContact CE1-OD1 3.04Å; H185-D208 IonicContact CG-OD2 3.47Å; H185-D208 IonicContact ND1-OD1 3.46Å; H185-D208 PolarHBondContact ND1-OD1 3.45Å; H185-D208 IonicContact ND1-OD2 3.79Å; H185-D208 PolarHBondContact ND1-OD2 3.41Å; R186-D208 HydrophobicContact CB-CB 4.19Å; R186-D208 PolarHBondContact N-OD2 2.87Å; Q187-D208 HydrophobicContact CB-CB 4.03Å; Q187-D208 HydrophobicContact CG-CB 4.02Å; S206-D208 VanDerWaalsContact CB-OD1 3.25Å; S206-D208 WeakPolarHBondContact CB-OD1 3.42Å; S206-D208 PolarHBondContact O-N 3.4Å; S206-D208 VanDerWaalsContact OG-CG 3.28Å; S206-D208 PolarHBondContact OG-N 2.82Å; S206-D208 PolarHBondContact OG-OD1 3.12Å; D208-R210 WeakPolarHBondContact O-CG 3.27Å; D208-R210 PolarHBondContact O-N 2.57Å; D208-R210 VanDerWaalsContact OD1-CB 3.28Å; D208-R210 WeakPolarHBondContact OD1-CB 3.44Å; D208-R210 PolarHBondContact OD1-N 2.84Å
209	S	97.9	Very high	96.6	Very high	28 Å²	28	30.7 Å²	30.7	20%	0.196	15%	0.15	C	C	.	.	S	Bend	trans	70.9	13.6	179.7	-46.8	0	0	0	0	114.3	S206 A207 T242 A243 H244 G246	S206-S209 PolarHBondContact O-N 2.73Å; A207-S209 PolarHBondContact O-N 3.48Å; S209-T242 CarbonylContact O-C 3.59Å; S209-T242 WeakPolarHBondContact O-CA 3.44Å; S209-A243 PolarHBondContact O-N 2.86Å; S209-H244 WeakPolarHBondContact CB-O 3.28Å; S209-H244 PolarHBondContact O-N 3.12Å; S209-G246 VanDerWaalsContact CA-O 3.28Å; S209-G246 WeakPolarHBondContact CA-O 3.47Å; S209-G246 WeakPolarHBondContact CB-O 3.3Å; S209-G246 VanDerWaalsContact OG-C 3.25Å; S209-G246 PolarHBondContact OG-O 3.03Å; S209-G246 VanDerWaalsContact OG-O 3.05Å
210	R	98.1	Very high	96.3	Very high	30 Å²	30	34.1 Å²	34.1	11%	0.113	18%	0.177	C	C	.	.			trans	-118.4	153.7	-177.7	-45.9	-174	-175.7	-163.9	-0.3	111.4	S206 D208 T225 E238 N241 T242	S206-R210 PolarHBondContact N-O 3.22Å; D208-R210 WeakPolarHBondContact O-CG 3.27Å; D208-R210 PolarHBondContact O-N 2.57Å; D208-R210 VanDerWaalsContact OD1-CB 3.28Å; D208-R210 WeakPolarHBondContact OD1-CB 3.44Å; D208-R210 PolarHBondContact OD1-N 2.84Å; R210-T225 HydrophobicContact CB-CG2 4.14Å; R210-E238 PolarHBondContact NH2-O 3.48Å; R210-N241 WeakPolarHBondContact CG-O 3.46Å; R210-T242 HydrophobicContact CG-CG2 4.29Å
211	V	98.6	Very high	96	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.4	167.8	-178.4	0	0	0	0	107.8	T204 A205 T225 L226 A243 V248 L251 L260 T262	T204-V211 CarbonylContact O-C 3.52Å; T204-V211 VanDerWaalsContact O-CA 3.25Å; T204-V211 WeakPolarHBondContact O-CA 3.49Å; T204-V211 WeakPolarHBondContact O-CG1 3.19Å; A205-V211 HydrophobicContact CB-CG2 3.99Å; V211-T225 WeakPolarHBondContact O-CA 3.35Å; V211-L226 HydrophobicContact CB-CB 4.37Å; V211-L226 HydrophobicContact CB-CD1 3.39Å; V211-L226 HydrophobicContact CB-CG 4.48Å; V211-L226 HydrophobicContact CG1-CD1 3.25Å; V211-L226 PolarHBondContact O-N 3.19Å; V211-A243 HydrophobicContact CB-CB 4.32Å; V211-A243 HydrophobicContact CG2-CB 3.94Å; V211-V248 HydrophobicContact CG2-CB 4.02Å; V211-V248 HydrophobicContact CG2-CG1 3.6Å; V211-V248 HydrophobicContact CG2-CG2 3.99Å; V211-L251 HydrophobicContact CG1-CD2 3.91Å; V211-L260 HydrophobicContact CG1-CD2 4.21Å; V211-T262 HydrophobicContact CB-CG2 4.49Å; V211-T262 HydrophobicContact CG1-CG2 4.39Å; V211-T262 HydrophobicContact CG2-CG2 3.87Å
212	K	98.2	Very high	95.8	Very high	17 Å²	17	34 Å²	34	7%	0.074	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142.2	179.9	-70.6	177.9	173.9	-69.5	0	109.8	G184 A203 T204 W214 C222 I224 T225	G184-K212 WeakPolarHBondContact O-CE 3.2Å; A203-K212 WeakPolarHBondContact CA-O 3.38Å; T204-K212 PolarHBondContact N-O 2.88Å; T204-K212 PolarHBondContact O-N 3.43Å; T204-K212 PolarHBondContact OG1-O 3.48Å; K212-W214 HydrophobicContact CB-CZ2 3.81Å; K212-W214 HydrophobicContact CD-CH2 3.97Å; K212-W214 HydrophobicContact CD-CZ2 3.46Å; K212-W214 VanDerWaalsContact CD-CZ2 3.46Å; K212-W214 HydrophobicContact CG-CZ2 4.27Å; K212-C222 HydrophobicContact CB-CB 3.97Å; K212-C222 HydrophobicContact CD-CB 4.13Å; K212-C222 HydrophobicContact CG-CB 4.22Å; K212-C222 PolarHBondContact NZ-SG 3.23Å; K212-I224 WeakPolarHBondContact CA-O 3.36Å; K212-T225 HydrophobicContact CG-CG2 4.17Å; K212-T225 PolarHBondContact NZ-OG1 3.48Å
213	L	98.3	Very high	95.8	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.016	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	142.3	165.8	-76.2	73	0	0	0	110.1	I201 L202 A203 C222 L223 I224 L226 L260 S274	I201-L213 HydrophobicContact CG2-CD2 4Å; L202-L213 CarbonylContact O-C 3.38Å; L202-L213 VanDerWaalsContact O-CA 3.28Å; L202-L213 WeakPolarHBondContact O-CA 3.45Å; A203-L213 HydrophobicContact CB-CD1 4.39Å; A203-L213 HydrophobicContact CB-CG 4.2Å; L213-C222 CarbonylContact O-C 3.41Å; L213-C222 WeakPolarHBondContact O-CB 3.41Å; L213-L223 PolarHBondContact O-N 3.36Å; L213-I224 HydrophobicContact CB-CD1 4.22Å; L213-I224 HydrophobicContact CB-CG1 3.69Å; L213-I224 HydrophobicContact CD1-CD1 3.87Å; L213-I224 HydrophobicContact CD1-CG1 4.02Å; L213-I224 HydrophobicContact CD2-CD1 4.05Å; L213-I224 HydrophobicContact CD2-CG1 4.44Å; L213-I224 HydrophobicContact CG-CD1 4.25Å; L213-I224 HydrophobicContact CG-CG1 4.24Å; L213-I224 PolarHBondContact N-O 3.08Å; L213-L226 HydrophobicContact CD1-CD1 3.57Å; L213-L226 HydrophobicContact CD1-CG 4.46Å; L213-L260 HydrophobicContact CD1-CD2 4.03Å; L213-S274 VanDerWaalsContact CD2-O 3.28Å; L213-S274 WeakPolarHBondContact CD2-O 3.5Å
214	W	97.8	Very high	95.6	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.9	-173.3	-50.2	84.5	0	0	0	109.5	L182 Q183 I201 L202 T204 K212 C222	L182-W214 HydrophobicContact CB-CD2 4.1Å; L182-W214 HydrophobicContact CB-CE3 3.93Å; L182-W214 HydrophobicContact CB-CH2 4.28Å; L182-W214 HydrophobicContact CB-CZ2 4.43Å; L182-W214 HydrophobicContact CB-CZ3 4.03Å; L182-W214 HydrophobicContact CD1-CB 3.92Å; L182-W214 HydrophobicContact CD1-CD2 3.96Å; L182-W214 HydrophobicContact CD1-CE3 4.35Å; L182-W214 HydrophobicContact CD1-CG 3.76Å; L182-W214 HydrophobicContact CD2-CE3 4.24Å; L182-W214 HydrophobicContact CG-CD2 4.47Å; L182-W214 HydrophobicContact CG-CE3 4.41Å; Q183-W214 VanDerWaalsContact O-CH2 3.3Å; Q183-W214 WeakPolarHBondContact O-CH2 3.22Å; I201-W214 VanDerWaalsContact CA-O 3.3Å; I201-W214 WeakPolarHBondContact CA-O 3.39Å; L202-W214 PolarHBondContact N-O 3.48Å; L202-W214 PolarHBondContact O-N 3.03Å; T204-W214 PolarHBondContact OG1-NE1 2.95Å; K212-W214 HydrophobicContact CB-CZ2 3.81Å; K212-W214 HydrophobicContact CD-CH2 3.97Å; K212-W214 HydrophobicContact CD-CZ2 3.46Å; K212-W214 VanDerWaalsContact CD-CZ2 3.46Å; K212-W214 HydrophobicContact CG-CZ2 4.27Å; W214-C222 HydrophobicContact CD2-CB 3.78Å; W214-C222 VanDerWaalsContact CE3-CA 3.5Å; W214-C222 HydrophobicContact CE3-CB 3.65Å; W214-C222 HydrophobicContact CH2-CB 3.88Å; W214-C222 HydrophobicContact CZ2-CB 4.01Å; W214-C222 HydrophobicContact CZ3-CB 3.7Å
215	D	96.4	Very high	95.6	Very high	16 Å²	16	40.4 Å²	40.4	9%	0.086	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	112.6	156.1	-179.4	-14.1	0	0	0	106.5	Y200 I201 R217 R218 L223	Y200-D215 WeakPolarHBondContact CB-OD1 3.46Å; Y200-D215 WeakPolarHBondContact O-CA 3.29Å; I201-D215 HydrophobicContact CD1-CB 4.24Å; D215-R217 PolarHBondContact O-N 3.19Å; D215-R217 WeakPolarHBondContact OD1-CB 3.04Å; D215-R217 WeakPolarHBondContact OD1-CG 3.33Å; D215-R217 IonicContact OD1-CZ 3.4Å; D215-R217 PolarHBondContact OD1-N 3.19Å; D215-R217 IonicContact OD1-NE 2.87Å; D215-R217 PolarHBondContact OD1-NE 3.49Å; D215-R217 IonicContact OD1-NH2 3.21Å; D215-R217 IonicContact OD2-CZ 3.38Å; D215-R217 IonicContact OD2-NE 3.84Å; D215-R217 PolarHBondContact OD2-NE 3.24Å; D215-R217 IonicContact OD2-NH2 3.58Å; D215-R217 PolarHBondContact OD2-NH2 3Å; D215-R218 HydrophobicContact CB-CG 4Å; D215-R218 WeakPolarHBondContact O-CB 3.47Å; D215-R218 PolarHBondContact O-N 3.48Å; D215-L223 HydrophobicContact CB-CD1 4.03Å; D215-L223 HydrophobicContact CB-CD2 4.19Å; D215-L223 HydrophobicContact CB-CG 4.27Å
216	V	95.1	Very high	95.5	Very high	7 Å²	7	40.4 Å²	40.4	4%	0.042	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.4	-174.3	-60	0	0	0	0	113.6	L158 L170 W194 Y200 L202 R218	L158-V216 HydrophobicContact CD1-CB 4.42Å; L158-V216 HydrophobicContact CD1-CG2 4.01Å; L170-V216 HydrophobicContact CD1-CB 3.85Å; L170-V216 HydrophobicContact CD1-CG1 3.71Å; W194-V216 HydrophobicContact CH2-CB 4.16Å; W194-V216 HydrophobicContact CH2-CG1 3.47Å; W194-V216 VanDerWaalsContact CH2-CG1 3.47Å; W194-V216 HydrophobicContact CH2-CG2 3.77Å; W194-V216 HydrophobicContact CZ2-CG1 4.24Å; W194-V216 HydrophobicContact CZ3-CG1 3.84Å; W194-V216 HydrophobicContact CZ3-CG2 3.96Å; Y200-V216 HydrophobicContact CD1-CG2 3.76Å; Y200-V216 HydrophobicContact CG-CG2 4.39Å; Y200-V216 PolarHBondContact O-N 3.33Å; L202-V216 HydrophobicContact CB-CG1 4.07Å; L202-V216 HydrophobicContact CD2-CG1 4.45Å; V216-R218 VanDerWaalsContact C-N 3.29Å
217	R	94	Very high	95.5	Very high	162 Å²	162	41.3 Å²	41.3	61%	0.611	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-16	174.8	-56.2	171.6	-64.7	171.9	5.2	112.3	Y200 D215	Y200-R217 HydrophobicContact CD1-CG 3.52Å; Y200-R217 HydrophobicContact CD2-CG 4.37Å; Y200-R217 HydrophobicContact CE1-CG 3.92Å; Y200-R217 VanDerWaalsContact CG-CD 3.49Å; Y200-R217 HydrophobicContact CG-CG 3.75Å; D215-R217 PolarHBondContact O-N 3.19Å; D215-R217 WeakPolarHBondContact OD1-CB 3.04Å; D215-R217 WeakPolarHBondContact OD1-CG 3.33Å; D215-R217 IonicContact OD1-CZ 3.4Å; D215-R217 PolarHBondContact OD1-N 3.19Å; D215-R217 IonicContact OD1-NE 2.87Å; D215-R217 PolarHBondContact OD1-NE 3.49Å; D215-R217 IonicContact OD1-NH2 3.21Å; D215-R217 IonicContact OD2-CZ 3.38Å; D215-R217 IonicContact OD2-NE 3.84Å; D215-R217 PolarHBondContact OD2-NE 3.24Å; D215-R217 IonicContact OD2-NH2 3.58Å; D215-R217 PolarHBondContact OD2-NH2 3Å
218	R	93.9	Very high	95.4	Very high	144 Å²	144	41.8 Å²	41.8	54%	0.543	24%	0.235	S	C	.	.			trans	-84.7	124.8	178	-66.5	-172.5	171.9	-151	-2.9	109.4	D215 V216 S220	D215-R218 HydrophobicContact CB-CG 4Å; D215-R218 WeakPolarHBondContact O-CB 3.47Å; D215-R218 PolarHBondContact O-N 3.48Å; V216-R218 VanDerWaalsContact C-N 3.29Å; R218-S220 PolarHBondContact O-N 2.97Å
219	A	83	Confident	95.4	Very high	98 Å²	98	43.3 Å²	43.3	81%	0.81	24%	0.241	S	C	*	.	S	Bend	trans	-68.9	-20.1	-179.9	0	0	0	0	0	113.7
220	S	89.5	Confident	95.3	Very high	106 Å²	106	44.4 Å²	44.4	74%	0.741	25%	0.245	S	C	*	.	S	Bend	trans	-150.5	146.5	179.7	68.3	0	0	0	0	113	R218	R218-S220 PolarHBondContact O-N 2.97Å
221	G	89.3	Confident	95	Very high	46 Å²	46	46 Å²	46	47%	0.474	27%	0.27	S	S	.	.			trans	81.5	139.1	175.3	0	0	0	0	0	114.3
222	C	94.8	Very high	94.6	Very high	35 Å²	35	54.8 Å²	54.8	24%	0.236	31%	0.308	C	S	.	.			trans	-76.9	151.9	165.9	60.2	0	0	0	0	110	K212 L213 W214 T225	K212-C222 HydrophobicContact CB-CB 3.97Å; K212-C222 HydrophobicContact CD-CB 4.13Å; K212-C222 HydrophobicContact CG-CB 4.22Å; K212-C222 PolarHBondContact NZ-SG 3.23Å; L213-C222 CarbonylContact O-C 3.41Å; L213-C222 WeakPolarHBondContact O-CB 3.41Å; W214-C222 HydrophobicContact CD2-CB 3.78Å; W214-C222 VanDerWaalsContact CE3-CA 3.5Å; W214-C222 HydrophobicContact CE3-CB 3.65Å; W214-C222 HydrophobicContact CH2-CB 3.88Å; W214-C222 HydrophobicContact CZ2-CB 4.01Å; W214-C222 HydrophobicContact CZ3-CB 3.7Å; C222-T225 PolarHBondContact SG-OG1 3.02Å
223	L	96.4	Very high	94.2	Very high	68 Å²	68	59.2 Å²	59.2	36%	0.356	33%	0.328	S	S	.	.	S	Bend	trans	-67.4	-49.9	175.8	-63.5	172.9	0	0	0	111.4	I201 L213 D215	I201-L223 HydrophobicContact CD1-CD1 3.45Å; I201-L223 VanDerWaalsContact CD1-CD1 3.45Å; L213-L223 PolarHBondContact O-N 3.36Å; D215-L223 HydrophobicContact CB-CD1 4.03Å; D215-L223 HydrophobicContact CB-CD2 4.19Å; D215-L223 HydrophobicContact CB-CG 4.27Å
224	I	96.1	Very high	93.5	Very high	33 Å²	33	65.3 Å²	65.3	17%	0.169	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	147.9	-178.1	53.4	165.9	0	0	0	110.1	K212 L213	K212-I224 WeakPolarHBondContact CA-O 3.36Å; L213-I224 HydrophobicContact CB-CD1 4.22Å; L213-I224 HydrophobicContact CB-CG1 3.69Å; L213-I224 HydrophobicContact CD1-CD1 3.87Å; L213-I224 HydrophobicContact CD1-CG1 4.02Å; L213-I224 HydrophobicContact CD2-CD1 4.05Å; L213-I224 HydrophobicContact CD2-CG1 4.44Å; L213-I224 HydrophobicContact CG-CD1 4.25Å; L213-I224 HydrophobicContact CG-CG1 4.24Å; L213-I224 PolarHBondContact N-O 3.08Å
225	T	97	Very high	92.7	Very high	32 Å²	32	67.2 Å²	67.2	20%	0.196	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.5	165.1	-53.9	0	0	0	0	106.9	R210 V211 K212 C222 D227 N241	R210-T225 HydrophobicContact CB-CG2 4.14Å; V211-T225 WeakPolarHBondContact O-CA 3.35Å; K212-T225 HydrophobicContact CG-CG2 4.17Å; K212-T225 PolarHBondContact NZ-OG1 3.48Å; C222-T225 PolarHBondContact SG-OG1 3.02Å; T225-D227 PolarHBondContact O-N 3.05Å; T225-N241 HydrophobicContact CG2-CB 3.7Å; T225-N241 WeakPolarHBondContact CG2-O 3.3Å
226	L	98	Very high	91.9	Very high	1 Å²	1	70.1 Å²	70.1	1%	0.005	41%	0.406	C	S	.	.			trans	-71.8	125	-173.4	-70.6	127.8	0	0	0	110.8	V211 L213 N241 T242 A243 L260 W272	V211-L226 HydrophobicContact CB-CB 4.37Å; V211-L226 HydrophobicContact CB-CD1 3.39Å; V211-L226 HydrophobicContact CB-CG 4.48Å; V211-L226 HydrophobicContact CG1-CD1 3.25Å; V211-L226 PolarHBondContact O-N 3.19Å; L213-L226 HydrophobicContact CD1-CD1 3.57Å; L213-L226 HydrophobicContact CD1-CG 4.46Å; L226-N241 CarbonylContact O-C 3.56Å; L226-T242 CarbonylContact O-C 3.16Å; L226-A243 HydrophobicContact CB-CB 4.12Å; L226-A243 PolarHBondContact O-N 2.81Å; L226-L260 HydrophobicContact CD1-CD2 4.28Å; L226-W272 HydrophobicContact CB-CD2 4.28Å; L226-W272 HydrophobicContact CB-CE3 4.01Å; L226-W272 HydrophobicContact CB-CH2 3.91Å; L226-W272 HydrophobicContact CB-CZ2 4.26Å; L226-W272 HydrophobicContact CB-CZ3 3.8Å; L226-W272 HydrophobicContact CD2-CB 3.38Å; L226-W272 HydrophobicContact CD2-CD2 3.25Å; L226-W272 HydrophobicContact CD2-CE3 3.27Å; L226-W272 HydrophobicContact CD2-CG 3.32Å; L226-W272 HydrophobicContact CD2-CZ3 3.97Å; L226-W272 HydrophobicContact CG-CD2 4.34Å; L226-W272 HydrophobicContact CG-CE3 4.24Å
227	D	97.3	Very high	91.2	Very high	19 Å²	19	76 Å²	76	10%	0.102	44%	0.442	C	S	.	.			trans	-111.8	113.4	179.3	175.5	20.2	0	0	0	110.6	T225 H229 N230 G231 W272	T225-D227 PolarHBondContact O-N 3.05Å; D227-H229 PolarHBondContact O-N 3.12Å; D227-H229 PolarHBondContact OD1-N 2.89Å; D227-H229 VanDerWaalsContact OD1-N 3.08Å; D227-N230 PolarHBondContact O-N 2.91Å; D227-G231 WeakPolarHBondContact OD2-CA 3.43Å; D227-G231 PolarHBondContact OD2-N 3.16Å; D227-W272 WeakPolarHBondContact O-CZ3 3.38Å
228	Q	97.1	Very high	90.5	Very high	12 Å²	12	74.7 Å²	74.7	6%	0.056	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-17.2	-175.9	71.7	178.7	25.8	0	0	113.4	T242 A243 N245 W272 N279	Q228-T242 WeakPolarHBondContact CB-O 3.4Å; Q228-T242 WeakPolarHBondContact CG-O 3.45Å; Q228-T242 PolarHBondContact N-O 2.88Å; Q228-A243 WeakPolarHBondContact CB-O 3.3Å; Q228-A243 PolarHBondContact OE1-O 3.23Å; Q228-N245 PolarHBondContact NE2-ND2 3.18Å; Q228-N245 PolarHBondContact NE2-OD1 3.33Å; Q228-W272 VanDerWaalsContact CA-CH2 3.4Å; Q228-W272 HydrophobicContact CB-CH2 3.95Å; Q228-N279 PolarHBondContact O-ND2 3Å
229	H	96.5	Very high	89.9	Confident	49 Å²	49	70.9 Å²	70.9	23%	0.227	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	2.6	-178.4	-62.8	-56.2	0	0	0	113.8	D227 G231 K232 K233	D227-H229 PolarHBondContact O-N 3.12Å; D227-H229 PolarHBondContact OD1-N 2.89Å; D227-H229 VanDerWaalsContact OD1-N 3.08Å; H229-G231 PolarHBondContact O-N 2.89Å; H229-K232 VanDerWaalsContact O-CB 3.28Å; H229-K232 WeakPolarHBondContact O-CB 3.48Å; H229-K232 PolarHBondContact O-N 3.3Å; H229-K233 HydrophobicContact CB-CB 3.65Å; H229-K233 VanDerWaalsContact CD2-CD 3.49Å; H229-K233 WeakPolarHBondContact CD2-CD 3.28Å; H229-K233 WeakPolarHBondContact NE2-CD 3.34Å
230	N	95.4	Very high	90.1	Very high	51 Å²	51	67 Å²	67	27%	0.273	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	41.7	-178.3	-68	-20.2	0	0	0	112.6	D227 K232 N279	D227-N230 PolarHBondContact O-N 2.91Å; N230-K232 PolarHBondContact O-N 3.25Å; N230-K232 VanDerWaalsContact O-N 3.09Å; N230-N279 PolarHBondContact ND2-O 3.23Å; N230-N279 VanDerWaalsContact OD1-CB 3.28Å; N230-N279 WeakPolarHBondContact OD1-CB 3.44Å; N230-N279 PolarHBondContact OD1-N 3.21Å
231	G	91.4	Very high	90.3	Very high	62 Å²	62	65.2 Å²	65.2	64%	0.639	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	-3.9	-177.8	0	0	0	0	0	115.5	D227 H229 K233	D227-G231 WeakPolarHBondContact OD2-CA 3.43Å; D227-G231 PolarHBondContact OD2-N 3.16Å; H229-G231 PolarHBondContact O-N 2.89Å; G231-K233 VanDerWaalsContact C-N 3.31Å; G231-K233 PolarHBondContact O-N 3.04Å
232	K	91.1	Very high	90.6	Very high	185 Å²	185	63.8 Å²	63.8	80%	0.804	37%	0.37	S	S	*	.			trans	-73	-21.1	-175.4	-63.7	-174.2	175.9	-178.8	0	113.7	H229 N230	H229-K232 VanDerWaalsContact O-CB 3.28Å; H229-K232 WeakPolarHBondContact O-CB 3.48Å; H229-K232 PolarHBondContact O-N 3.3Å; N230-K232 PolarHBondContact O-N 3.25Å; N230-K232 VanDerWaalsContact O-N 3.09Å
233	K	89.6	Confident	90.8	Very high	111 Å²	111	62.1 Å²	62.1	48%	0.483	36%	0.359	S	S	.	.	S	Bend	trans	-97.2	117.1	-178.6	-164	174.4	-177.3	164.8	0	110	H229 G231 Q235	H229-K233 HydrophobicContact CB-CB 3.65Å; H229-K233 VanDerWaalsContact CD2-CD 3.49Å; H229-K233 WeakPolarHBondContact CD2-CD 3.28Å; H229-K233 WeakPolarHBondContact NE2-CD 3.34Å; G231-K233 VanDerWaalsContact C-N 3.31Å; G231-K233 PolarHBondContact O-N 3.04Å; K233-Q235 HydrophobicContact CB-CG 4.24Å; K233-Q235 HydrophobicContact CD-CG 3.91Å; K233-Q235 HydrophobicContact CG-CG 3.79Å; K233-Q235 PolarHBondContact O-N 2.84Å
234	S	83.6	Confident	90.9	Very high	131 Å²	131	59 Å²	59	92%	0.916	34%	0.342	S	S	*	.			trans	-68.6	97.8	169.8	-174.2	0	0	0	0	109.3
235	Q	80.8	Confident	90.9	Very high	44 Å²	44	62.7 Å²	62.7	21%	0.206	36%	0.363	C	S	.	.			trans	-112.2	150	176.2	-68.6	-180	-53	0	0	109.9	K233 S239 A240	K233-Q235 HydrophobicContact CB-CG 4.24Å; K233-Q235 HydrophobicContact CD-CG 3.91Å; K233-Q235 HydrophobicContact CG-CG 3.79Å; K233-Q235 PolarHBondContact O-N 2.84Å; Q235-S239 PolarHBondContact OE1-O 2.88Å; Q235-A240 HydrophobicContact CB-CB 4.03Å
236	A	80.9	Confident	90.9	Very high	77 Å²	77	61.9 Å²	61.9	64%	0.636	36%	0.361	S	S	*	.			trans	-58	145.8	167.7	0	0	0	0	0	109.9	E238 S239 A240	A236-E238 PolarHBondContact O-N 2.69Å; A236-S239 CarbonylContact O-C 3.57Å; A236-S239 PolarHBondContact O-N 2.75Å; A236-A240 PolarHBondContact O-N 2.65Å
237	V	80.4	Confident	90.9	Very high	131 Å²	131	66.6 Å²	66.6	79%	0.794	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	-38.3	-170.7	-179.7	0	0	0	0	113.3
238	E	77.5	Confident	90.9	Very high	133 Å²	133	65.7 Å²	65.7	62%	0.621	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-20.4	-177.6	-55.3	-147.8	-148.9	0	0	114.7	R186 R210 A236	R186-E238 IonicContact CZ-OE2 3.03Å; R186-E238 IonicContact NH1-OE2 2.89Å; R186-E238 PolarHBondContact NH1-OE2 3.47Å; R186-E238 IonicContact NH2-OE2 3.46Å; R210-E238 PolarHBondContact NH2-O 3.48Å; A236-E238 PolarHBondContact O-N 2.69Å
239	S	82.4	Confident	91	Very high	64 Å²	64	65.1 Å²	65.1	45%	0.448	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-8.7	175.2	-175.1	0	0	0	0	112.5	Q235 A236	Q235-S239 PolarHBondContact OE1-O 2.88Å; A236-S239 CarbonylContact O-C 3.57Å; A236-S239 PolarHBondContact O-N 2.75Å
240	A	87.9	Confident	91.1	Very high	18 Å²	18	62.8 Å²	62.8	15%	0.149	36%	0.363	C	S	.	.	S	Bend	trans	-76.3	161.3	175.8	0	0	0	0	0	111.6	Q235 A236	Q235-A240 HydrophobicContact CB-CB 4.03Å; A236-A240 PolarHBondContact O-N 2.65Å
241	N	92.5	Very high	91.2	Very high	68 Å²	68	61.1 Å²	61.1	36%	0.364	35%	0.354	S	S	.	.	S	Bend	trans	59.5	44.3	178.8	-52.7	-80.8	0	0	0	113.2	R210 T225 L226	R210-N241 WeakPolarHBondContact CG-O 3.46Å; T225-N241 HydrophobicContact CG2-CB 3.7Å; T225-N241 WeakPolarHBondContact CG2-O 3.3Å; L226-N241 CarbonylContact O-C 3.56Å
242	T	96.7	Very high	91.6	Very high	16 Å²	16	59.2 Å²	59.2	10%	0.098	33%	0.331	C	S	.	.			trans	-99.6	134.4	170	57.7	0	0	0	0	109.8	S209 R210 L226 Q228	S209-T242 CarbonylContact O-C 3.59Å; S209-T242 WeakPolarHBondContact O-CA 3.44Å; R210-T242 HydrophobicContact CG-CG2 4.29Å; L226-T242 CarbonylContact O-C 3.16Å; Q228-T242 WeakPolarHBondContact CB-O 3.4Å; Q228-T242 WeakPolarHBondContact CG-O 3.45Å; Q228-T242 PolarHBondContact N-O 2.88Å
243	A	97.9	Very high	91.9	Very high	0 Å²	0	51 Å²	51	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-84	-29.2	179.7	0	0	0	0	0	111.6	S209 V211 L226 Q228 V248 R270 W272	S209-A243 PolarHBondContact O-N 2.86Å; V211-A243 HydrophobicContact CB-CB 4.32Å; V211-A243 HydrophobicContact CG2-CB 3.94Å; L226-A243 HydrophobicContact CB-CB 4.12Å; L226-A243 PolarHBondContact O-N 2.81Å; Q228-A243 WeakPolarHBondContact CB-O 3.3Å; Q228-A243 PolarHBondContact OE1-O 3.23Å; A243-V248 HydrophobicContact CB-CG2 4.36Å; A243-R270 VanDerWaalsContact O-CD 3.25Å; A243-R270 WeakPolarHBondContact O-CD 3.31Å; A243-R270 VanDerWaalsContact O-CZ 3.32Å; A243-R270 PolarHBondContact O-NE 2.86Å; A243-R270 PolarHBondContact O-NH1 3.1Å; A243-W272 HydrophobicContact CB-CH2 4.1Å; A243-W272 HydrophobicContact CB-CZ2 3.76Å
244	H	98.1	Very high	92.3	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	27%	0.272	C	S	.	.	S	Bend	trans	-136	161.3	179.2	-73.3	-106.7	0	0	0	110.5	S209 G246 V248 T262 G264 D266 R268 R270	S209-H244 WeakPolarHBondContact CB-O 3.28Å; S209-H244 PolarHBondContact O-N 3.12Å; H244-G246 WeakPolarHBondContact CB-O 3.49Å; H244-G246 PolarHBondContact O-N 2.81Å; H244-G246 VanDerWaalsContact O-N 3.17Å; H244-V248 HydrophobicContact CB-CG2 3.99Å; H244-T262 PolarHBondContact CE1-O 2.85Å; H244-T262 WeakPolarHBondContact NE2-CB 3.17Å; H244-T262 PolarHBondContact NE2-O 2.91Å; H244-T262 PolarHBondContact NE2-OG1 3.21Å; H244-G264 PolarHBondContact CE1-N 2.9Å; H244-G264 VanDerWaalsContact CE1-N 3.32Å; H244-G264 PolarHBondContact ND1-N 3.15Å; H244-D266 IonicContact CE1-OD1 2.94Å; H244-D266 IonicContact CG-OD1 3.68Å; H244-D266 IonicContact CG-OD2 3.93Å; H244-D266 IonicContact ND1-OD1 2.76Å; H244-D266 PolarHBondContact ND1-OD1 2.92Å; H244-D266 IonicContact ND1-OD2 3.3Å; H244-D266 PolarHBondContact ND1-OD2 2.97Å; H244-R268 PolarHBondContact CE1-O 3.39Å; H244-R270 PolarHBondContact CE1-NH1 3.11Å; H244-R270 VanDerWaalsContact CG-NH1 3.26Å; H244-R270 PolarHBondContact ND1-NH1 3.17Å
245	N	96.5	Very high	92.9	Very high	112 Å²	112	42.5 Å²	42.5	60%	0.599	25%	0.249	S	C	*	.	S	Bend	trans	-87.3	43.5	171.3	-60.7	-50.1	0	0	0	111.2	Q228 D266	Q228-N245 PolarHBondContact NE2-ND2 3.18Å; Q228-N245 PolarHBondContact NE2-OD1 3.33Å; N245-D266 HydrophobicContact CB-CB 4.02Å; N245-D266 PolarHBondContact N-OD2 3.04Å; N245-D266 VanDerWaalsContact N-OD2 3.07Å
246	G	96.6	Very high	93.6	Very high	15 Å²	15	43 Å²	43	16%	0.155	25%	0.253	C	S	.	.	S	Bend	trans	168.1	178.9	-171.3	0	0	0	0	0	110.6	S209 H244 V248	S209-G246 VanDerWaalsContact CA-O 3.28Å; S209-G246 WeakPolarHBondContact CA-O 3.47Å; S209-G246 WeakPolarHBondContact CB-O 3.3Å; S209-G246 VanDerWaalsContact OG-C 3.25Å; S209-G246 PolarHBondContact OG-O 3.03Å; S209-G246 VanDerWaalsContact OG-O 3.05Å; H244-G246 WeakPolarHBondContact CB-O 3.49Å; H244-G246 PolarHBondContact O-N 2.81Å; H244-G246 VanDerWaalsContact O-N 3.17Å; G246-V248 PolarHBondContact O-N 2.89Å
247	K	97.9	Very high	94.4	Very high	99 Å²	99	39.3 Å²	39.3	43%	0.43	22%	0.223	S	C	.	.			trans	-58	136.3	-178.5	-57	-172.5	-178.2	74.4	0	110.1	L190 A207 G264 T265	L190-K247 HydrophobicContact CD1-CB 4.21Å; L190-K247 HydrophobicContact CD1-CD 4.46Å; A207-K247 HydrophobicContact CB-CB 4.27Å; A207-K247 HydrophobicContact CB-CD 3.79Å; A207-K247 HydrophobicContact CB-CG 3.91Å; K247-G264 CarbonylContact O-C 3.57Å; K247-G264 WeakPolarHBondContact O-CA 3.39Å; K247-T265 HydrophobicContact CB-CG2 3.91Å; K247-T265 PolarHBondContact N-OG1 2.87Å; K247-T265 PolarHBondContact O-N 3.17Å
248	V	98.6	Very high	95.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121	171.9	-164.8	0	0	0	0	108.1	A205 S206 V211 A243 H244 G246	A205-V248 HydrophobicContact CB-CB 3.96Å; A205-V248 HydrophobicContact CB-CG1 3.74Å; S206-V248 CarbonylContact C-O 3.47Å; S206-V248 PolarHBondContact O-N 3.15Å; V211-V248 HydrophobicContact CG2-CB 4.02Å; V211-V248 HydrophobicContact CG2-CG1 3.6Å; V211-V248 HydrophobicContact CG2-CG2 3.99Å; A243-V248 HydrophobicContact CB-CG2 4.36Å; H244-V248 HydrophobicContact CB-CG2 3.99Å; G246-V248 PolarHBondContact O-N 2.89Å
249	N	98.4	Very high	96.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	2	-171.9	69.3	-40.9	0	0	0	114.3	L190 V263 N289 K293 G294 L295	L190-N249 HydrophobicContact CB-CB 3.89Å; L190-N249 HydrophobicContact CD1-CB 3.6Å; L190-N249 HydrophobicContact CG-CB 4.4Å; N249-V263 PolarHBondContact N-O 2.85Å; N249-V263 PolarHBondContact OD1-O 3.13Å; N249-N289 PolarHBondContact ND2-OD1 3.47Å; N249-N289 PolarHBondContact OD1-ND2 2.72Å; N249-K293 PolarHBondContact ND2-O 3.28Å; N249-G294 CarbonylContact O-C 3.57Å; N249-G294 VanDerWaalsContact O-CA 3.22Å; N249-G294 WeakPolarHBondContact O-CA 3.45Å; N249-L295 PolarHBondContact O-N 3.07Å
250	G	98.3	Very high	97	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143	166.3	0	0	0	0	0	112.2	V263	G250-V263 VanDerWaalsContact CA-CG1 3.49Å; G250-V263 PolarHBondContact N-O 3.43Å; G250-V263 PolarHBondContact O-N 2.96Å; G250-V263 VanDerWaalsContact O-N 3.11Å
251	L	98.4	Very high	97.5	Very high	17 Å²	17	27.9 Å²	27.9	9%	0.089	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	134.6	176.3	-82.5	173.2	0	0	0	110.1	A191 A203 A205 V211 L260 L261 T262	A191-L251 HydrophobicContact CB-CB 4.12Å; A191-L251 HydrophobicContact CB-CD1 4.18Å; A191-L251 HydrophobicContact CB-CG 4.26Å; A203-L251 HydrophobicContact CB-CD1 4.22Å; A205-L251 HydrophobicContact CB-CD1 3.39Å; A205-L251 HydrophobicContact CB-CD2 4.34Å; A205-L251 HydrophobicContact CB-CG 3.61Å; V211-L251 HydrophobicContact CG1-CD2 3.91Å; L251-L260 HydrophobicContact CD2-CD1 3.89Å; L251-L260 HydrophobicContact CD2-CD2 3.76Å; L251-L260 HydrophobicContact CD2-CG 3.9Å; L251-L261 WeakPolarHBondContact CA-O 3.28Å; L251-T262 HydrophobicContact CD2-CG2 3.79Å
252	C	98.5	Very high	97.8	Very high	22 Å²	22	24.6 Å²	24.6	15%	0.149	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	130.7	167.8	-164	0	0	0	0	109.3	L261 F297 V299	C252-L261 PolarHBondContact N-O 3.25Å; C252-L261 VanDerWaalsContact N-O 3.13Å; C252-L261 WeakPolarHBondContact O-CB 3.21Å; C252-L261 PolarHBondContact O-N 3.42Å; C252-F297 HydrophobicContact CB-CD2 3.95Å; C252-F297 HydrophobicContact CB-CE1 4.03Å; C252-F297 HydrophobicContact CB-CE2 3.34Å; C252-F297 HydrophobicContact CB-CZ 3.39Å; C252-V299 HydrophobicContact CB-CG2 4.25Å
253	F	98.5	Very high	97.9	Very high	13 Å²	13	23.9 Å²	23.9	6%	0.057	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	154.4	172.1	-82.8	-87.7	0	0	0	110.7	W194 P196 A203 H259 L260	W194-F253 WeakPolarHBondContact O-CD2 3.32Å; P196-F253 VanDerWaalsContact CD-CB 3.47Å; P196-F253 HydrophobicContact CG-CB 3.94Å; A203-F253 HydrophobicContact CB-CE2 3.75Å; A203-F253 HydrophobicContact CB-CZ 3.84Å; F253-H259 WeakPolarHBondContact CD1-O 3.3Å; F253-L260 HydrophobicContact CD1-CB 4.38Å; F253-L260 HydrophobicContact CD1-CD1 3.9Å; F253-L260 HydrophobicContact CD2-CD1 3.67Å; F253-L260 HydrophobicContact CE1-CB 4.32Å; F253-L260 HydrophobicContact CE1-CD1 3.96Å; F253-L260 HydrophobicContact CE2-CD1 3.72Å; F253-L260 HydrophobicContact CG-CD1 3.76Å; F253-L260 HydrophobicContact CZ-CD1 3.87Å
254	T	98.2	Very high	97.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.			trans	-65.7	159.3	163.9	52.8	0	0	0	0	110.7	D256 G257 L258 H259 L271 E306 V321	T254-D256 WeakPolarHBondContact CB-OD1 3.37Å; T254-D256 PolarHBondContact O-N 3.26Å; T254-D256 VanDerWaalsContact O-N 3.14Å; T254-D256 PolarHBondContact OG1-OD1 3.22Å; T254-G257 WeakPolarHBondContact O-CA 3.45Å; T254-G257 PolarHBondContact O-N 3.47Å; T254-L258 PolarHBondContact OG1-N 2.58Å; T254-H259 HydrophobicContact CG2-CB 3.66Å; T254-H259 PolarHBondContact N-O 3.35Å; T254-H259 PolarHBondContact OG1-N 3.2Å; T254-H259 PolarHBondContact OG1-O 2.84Å; T254-L271 HydrophobicContact CG2-CD1 4.23Å; T254-E306 VanDerWaalsContact CA-OE1 3.23Å; T254-E306 WeakPolarHBondContact CA-OE1 3.45Å; T254-E306 WeakPolarHBondContact CB-OE1 3.33Å; T254-E306 WeakPolarHBondContact CG2-OE1 3.39Å; T254-V321 HydrophobicContact CG2-CG1 3.89Å
255	S	95	Very high	97.9	Very high	62 Å²	62	25.7 Å²	25.7	43%	0.434	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-31.9	-173.9	70.1	0	0	0	0	113.5	E306	S255-E306 WeakPolarHBondContact CB-OE2 3.47Å; S255-E306 PolarHBondContact N-OE1 3.16Å; S255-E306 PolarHBondContact OG-OE2 3.42Å
256	D	96	Very high	97.9	Very high	55 Å²	55	21.7 Å²	21.7	29%	0.294	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-6.9	176.4	62.4	6.3	0	0	0	114.5	R197 T254 L258	R197-D256 WeakPolarHBondContact CB-O 3.46Å; R197-D256 WeakPolarHBondContact CD-O 3.46Å; T254-D256 WeakPolarHBondContact CB-OD1 3.37Å; T254-D256 PolarHBondContact O-N 3.26Å; T254-D256 VanDerWaalsContact O-N 3.14Å; T254-D256 PolarHBondContact OG1-OD1 3.22Å; D256-L258 HydrophobicContact CB-CG 4.29Å; D256-L258 PolarHBondContact O-N 2.88Å; D256-L258 WeakPolarHBondContact OD1-CB 3.41Å; D256-L258 PolarHBondContact OD1-N 2.99Å; D256-L258 WeakPolarHBondContact OD2-CD1 3.39Å
257	G	97.2	Very high	98	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	67.8	9.7	-175	0	0	0	0	0	115.7	T254 H259 S274	T254-G257 WeakPolarHBondContact O-CA 3.45Å; T254-G257 PolarHBondContact O-N 3.47Å; G257-H259 VanDerWaalsContact C-N 3.34Å; G257-S274 WeakPolarHBondContact O-CB 3.41Å; G257-S274 PolarHBondContact O-OG 2.95Å
258	L	97.8	Very high	98	Very high	68 Å²	68	23.1 Å²	23.1	36%	0.356	12%	0.121	S	C	.	.	S	Bend	trans	-77.3	-22	179.5	-66.3	-176.1	0	0	0	113.1	T254 D256 S274	T254-L258 PolarHBondContact OG1-N 2.58Å; D256-L258 HydrophobicContact CB-CG 4.29Å; D256-L258 PolarHBondContact O-N 2.88Å; D256-L258 WeakPolarHBondContact OD1-CB 3.41Å; D256-L258 PolarHBondContact OD1-N 2.99Å; D256-L258 WeakPolarHBondContact OD2-CD1 3.39Å; L258-S274 WeakPolarHBondContact O-CB 3.34Å; L258-S274 PolarHBondContact O-N 3.01Å; L258-S274 PolarHBondContact O-OG 2.98Å
259	H	98.6	Very high	98	Very high	36 Å²	36	23.4 Å²	23.4	17%	0.167	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	162.6	176.3	-59.5	82.1	0	0	0	112	F253 T254 G257 L271 W272 Y322	F253-H259 WeakPolarHBondContact CD1-O 3.3Å; T254-H259 HydrophobicContact CG2-CB 3.66Å; T254-H259 PolarHBondContact N-O 3.35Å; T254-H259 PolarHBondContact OG1-N 3.2Å; T254-H259 PolarHBondContact OG1-O 2.84Å; G257-H259 VanDerWaalsContact C-N 3.34Å; H259-L271 HydrophobicContact CB-CD1 3.54Å; H259-L271 HydrophobicContact CB-CG 4.17Å; H259-W272 CarbonylContact C-O 3.45Å; H259-W272 WeakPolarHBondContact CA-O 3.44Å; H259-W272 WeakPolarHBondContact CB-O 3.13Å; H259-W272 PolarHBondContact CD2-O 2.79Å; H259-Y322 AromaticContact CE1-CE1 3.95Å; H259-Y322 AromaticContact ND1-CE1 3.78Å
260	L	98.7	Very high	98	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.3	176.6	-175.4	64.3	0	0	0	108.8	A203 V211 L213 L226 L251 F253 T262 W272	A203-L260 HydrophobicContact CB-CD1 4.35Å; A203-L260 HydrophobicContact CB-CD2 3.85Å; V211-L260 HydrophobicContact CG1-CD2 4.21Å; L213-L260 HydrophobicContact CD1-CD2 4.03Å; L226-L260 HydrophobicContact CD1-CD2 4.28Å; L251-L260 HydrophobicContact CD2-CD1 3.89Å; L251-L260 HydrophobicContact CD2-CD2 3.76Å; L251-L260 HydrophobicContact CD2-CG 3.9Å; F253-L260 HydrophobicContact CD1-CB 4.38Å; F253-L260 HydrophobicContact CD1-CD1 3.9Å; F253-L260 HydrophobicContact CD2-CD1 3.67Å; F253-L260 HydrophobicContact CE1-CB 4.32Å; F253-L260 HydrophobicContact CE1-CD1 3.96Å; F253-L260 HydrophobicContact CE2-CD1 3.72Å; F253-L260 HydrophobicContact CG-CD1 3.76Å; F253-L260 HydrophobicContact CZ-CD1 3.87Å; L260-T262 HydrophobicContact CG-CG2 4.46Å; L260-W272 PolarHBondContact N-O 2.96Å; L260-W272 VanDerWaalsContact O-CD1 3.27Å; L260-W272 PolarHBondContact O-N 3.13Å
261	L	98.8	Very high	98	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	128	171.3	-73.3	156.8	0	0	0	109.1	L251 C252 M269 R270 L271 Y284 F297 V299 V308 V321	L251-L261 WeakPolarHBondContact CA-O 3.28Å; C252-L261 PolarHBondContact N-O 3.25Å; C252-L261 VanDerWaalsContact N-O 3.13Å; C252-L261 WeakPolarHBondContact O-CB 3.21Å; C252-L261 PolarHBondContact O-N 3.42Å; L261-M269 HydrophobicContact CD2-CG 4.04Å; L261-M269 HydrophobicContact CD2-SD 4.17Å; L261-R270 WeakPolarHBondContact CA-O 3.44Å; L261-L271 HydrophobicContact CD2-CB 4.11Å; L261-L271 HydrophobicContact CD2-CD1 3.74Å; L261-L271 HydrophobicContact CG-CD1 3.86Å; L261-Y284 HydrophobicContact CD2-CE2 4.36Å; L261-F297 HydrophobicContact CB-CE2 3.89Å; L261-F297 HydrophobicContact CB-CZ 3.85Å; L261-F297 HydrophobicContact CD1-CE2 4.31Å; L261-V299 HydrophobicContact CD1-CG2 3.68Å; L261-V308 HydrophobicContact CD1-CB 3.94Å; L261-V308 HydrophobicContact CD1-CG1 4.47Å; L261-V308 HydrophobicContact CD1-CG2 3.82Å; L261-V321 HydrophobicContact CD1-CG2 4.42Å
262	T	98.8	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.9	172.8	67.2	0	0	0	0	109.5	V211 H244 L251 L260 M269 R270 W272	V211-T262 HydrophobicContact CB-CG2 4.49Å; V211-T262 HydrophobicContact CG1-CG2 4.39Å; V211-T262 HydrophobicContact CG2-CG2 3.87Å; H244-T262 PolarHBondContact CE1-O 2.85Å; H244-T262 WeakPolarHBondContact NE2-CB 3.17Å; H244-T262 PolarHBondContact NE2-O 2.91Å; H244-T262 PolarHBondContact NE2-OG1 3.21Å; L251-T262 HydrophobicContact CD2-CG2 3.79Å; L260-T262 HydrophobicContact CG-CG2 4.46Å; T262-M269 CarbonylContact O-C 3.55Å; T262-M269 VanDerWaalsContact O-CA 3.27Å; T262-M269 WeakPolarHBondContact O-CA 3.32Å; T262-R270 PolarHBondContact N-O 3.36Å; T262-R270 PolarHBondContact O-N 3.29Å; T262-W272 PolarHBondContact OG1-NE1 3.33Å
263	V	98.6	Very high	98	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.6	172.9	64	0	0	0	0	108.9	N249 G250 R268 V287 N289 L295 F297	N249-V263 PolarHBondContact N-O 2.85Å; N249-V263 PolarHBondContact OD1-O 3.13Å; G250-V263 VanDerWaalsContact CA-CG1 3.49Å; G250-V263 PolarHBondContact N-O 3.43Å; G250-V263 PolarHBondContact O-N 2.96Å; G250-V263 VanDerWaalsContact O-N 3.11Å; V263-R268 WeakPolarHBondContact CA-O 3.46Å; V263-V287 HydrophobicContact CG2-CG1 4.25Å; V263-N289 HydrophobicContact CG2-CB 4.37Å; V263-L295 HydrophobicContact CG1-CB 4.43Å; V263-L295 HydrophobicContact CG1-CD2 3.87Å; V263-L295 HydrophobicContact CG2-CD2 4.15Å; V263-F297 HydrophobicContact CG1-CD1 3.98Å; V263-F297 HydrophobicContact CG1-CE1 3.65Å; V263-F297 HydrophobicContact CG1-CZ 4.4Å
264	G	98.2	Very high	98	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	172.1	-172.7	0	0	0	0	0	113.1	H244 K247 D266 N267 R268 N289	H244-G264 PolarHBondContact CE1-N 2.9Å; H244-G264 VanDerWaalsContact CE1-N 3.32Å; H244-G264 PolarHBondContact ND1-N 3.15Å; K247-G264 CarbonylContact O-C 3.57Å; K247-G264 WeakPolarHBondContact O-CA 3.39Å; G264-D266 PolarHBondContact O-N 3.05Å; G264-D266 VanDerWaalsContact O-N 3.16Å; G264-N267 PolarHBondContact O-N 2.91Å; G264-R268 PolarHBondContact N-O 2.9Å; G264-N289 PolarHBondContact O-ND2 3.04Å
265	T	97.9	Very high	97.9	Very high	39 Å²	39	28.9 Å²	28.9	24%	0.239	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-0	-178.2	65.9	0	0	0	0	113.6	K247 N267 N289	K247-T265 HydrophobicContact CB-CG2 3.91Å; K247-T265 PolarHBondContact N-OG1 2.87Å; K247-T265 PolarHBondContact O-N 3.17Å; T265-N267 PolarHBondContact O-N 2.81Å; T265-N289 WeakPolarHBondContact CA-O 3.24Å
266	D	97.7	Very high	98	Very high	29 Å²	29	30.2 Å²	30.2	16%	0.155	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	7.8	169.8	69.2	-21.2	0	0	0	112.6	H244 N245 G264 R268 R270	H244-D266 IonicContact CE1-OD1 2.94Å; H244-D266 IonicContact CG-OD1 3.68Å; H244-D266 IonicContact CG-OD2 3.93Å; H244-D266 IonicContact ND1-OD1 2.76Å; H244-D266 PolarHBondContact ND1-OD1 2.92Å; H244-D266 IonicContact ND1-OD2 3.3Å; H244-D266 PolarHBondContact ND1-OD2 2.97Å; N245-D266 HydrophobicContact CB-CB 4.02Å; N245-D266 PolarHBondContact N-OD2 3.04Å; N245-D266 VanDerWaalsContact N-OD2 3.07Å; G264-D266 PolarHBondContact O-N 3.05Å; G264-D266 VanDerWaalsContact O-N 3.16Å; D266-R268 VanDerWaalsContact C-N 3.3Å; D266-R268 PolarHBondContact O-N 3.46Å; D266-R268 WeakPolarHBondContact OD1-CB 3.33Å; D266-R268 PolarHBondContact OD1-N 3.11Å; D266-R270 IonicContact OD1-NH1 3.94Å; D266-R270 IonicContact OD2-CZ 2.91Å; D266-R270 IonicContact OD2-NH1 3.36Å; D266-R270 PolarHBondContact OD2-NH1 3.29Å; D266-R270 IonicContact OD2-NH2 3.58Å; D266-R270 PolarHBondContact OD2-NH2 2.84Å
267	N	98	Very high	98	Very high	35 Å²	35	28 Å²	28	19%	0.187	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	35.5	-176.3	-52.4	-67.4	0	0	0	113.8	G264 T265 K286 V287 C288 N289	G264-N267 PolarHBondContact O-N 2.91Å; T265-N267 PolarHBondContact O-N 2.81Å; N267-K286 HydrophobicContact CB-CG 3.85Å; N267-K286 CarbonylContact O-C 3.56Å; N267-K286 WeakPolarHBondContact O-CA 3.41Å; N267-V287 CarbonylContact C-O 3.47Å; N267-V287 WeakPolarHBondContact CA-O 3.48Å; N267-V287 WeakPolarHBondContact CB-O 3.33Å; N267-V287 PolarHBondContact O-N 3.37Å; N267-C288 WeakPolarHBondContact OD1-CA 3.37Å; N267-N289 PolarHBondContact OD1-N 3.02Å
268	R	98.1	Very high	98.1	Very high	109 Å²	109	32.8 Å²	32.8	41%	0.411	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.2	177	-62.1	-62.2	-172.8	166.5	5.3	110.4	H244 V263 G264 D266 R270 G285	H244-R268 PolarHBondContact CE1-O 3.39Å; V263-R268 WeakPolarHBondContact CA-O 3.46Å; G264-R268 PolarHBondContact N-O 2.9Å; D266-R268 VanDerWaalsContact C-N 3.3Å; D266-R268 PolarHBondContact O-N 3.46Å; D266-R268 WeakPolarHBondContact OD1-CB 3.33Å; D266-R268 PolarHBondContact OD1-N 3.11Å; R268-R270 VanDerWaalsContact CB-NH1 3.33Å; R268-G285 PolarHBondContact NH1-O 3.18Å
269	M	98.5	Very high	98.1	Very high	6 Å²	6	30 Å²	30	3%	0.03	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	141.2	158.4	-173.4	160.8	67.1	0	0	107.5	L261 T262 Y284 V287 V308 Y319	L261-M269 HydrophobicContact CD2-CG 4.04Å; L261-M269 HydrophobicContact CD2-SD 4.17Å; T262-M269 CarbonylContact O-C 3.55Å; T262-M269 VanDerWaalsContact O-CA 3.27Å; T262-M269 WeakPolarHBondContact O-CA 3.32Å; M269-Y284 HydrophobicContact CB-CD2 3.82Å; M269-Y284 HydrophobicContact CB-CE2 4.45Å; M269-Y284 HydrophobicContact CB-CG 4.17Å; M269-Y284 HydrophobicContact CE-CD1 3.3Å; M269-Y284 HydrophobicContact CE-CD2 3.88Å; M269-Y284 HydrophobicContact CE-CE1 3.67Å; M269-Y284 HydrophobicContact CE-CE2 4.19Å; M269-Y284 HydrophobicContact CE-CG 3.41Å; M269-Y284 VanDerWaalsContact CE-CG 3.41Å; M269-Y284 HydrophobicContact CG-CD2 3.99Å; M269-Y284 HydrophobicContact CG-CE2 4.15Å; M269-Y284 HydrophobicContact CG-CG 4.43Å; M269-Y284 WeakPolarHBondContact O-CD2 3.45Å; M269-V287 HydrophobicContact CB-CB 4.43Å; M269-V287 HydrophobicContact CB-CG2 3.9Å; M269-V308 HydrophobicContact CE-CG1 3.57Å; M269-V308 HydrophobicContact SD-CG1 4.21Å; M269-V308 HydrophobicContact SD-CG2 4.11Å; M269-Y319 HydrophobicContact CE-CD2 4.05Å; M269-Y319 HydrophobicContact CE-CG 4.21Å
270	R	98.7	Very high	98.1	Very high	28 Å²	28	30.5 Å²	30.5	11%	0.106	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.8	177.3	-69.3	179.3	-178	79.5	-5.1	109.1	A243 H244 L261 T262 D266 R268 W272	A243-R270 VanDerWaalsContact O-CD 3.25Å; A243-R270 WeakPolarHBondContact O-CD 3.31Å; A243-R270 VanDerWaalsContact O-CZ 3.32Å; A243-R270 PolarHBondContact O-NE 2.86Å; A243-R270 PolarHBondContact O-NH1 3.1Å; H244-R270 PolarHBondContact CE1-NH1 3.11Å; H244-R270 VanDerWaalsContact CG-NH1 3.26Å; H244-R270 PolarHBondContact ND1-NH1 3.17Å; L261-R270 WeakPolarHBondContact CA-O 3.44Å; T262-R270 PolarHBondContact N-O 3.36Å; T262-R270 PolarHBondContact O-N 3.29Å; D266-R270 IonicContact OD1-NH1 3.94Å; D266-R270 IonicContact OD2-CZ 2.91Å; D266-R270 IonicContact OD2-NH1 3.36Å; D266-R270 PolarHBondContact OD2-NH1 3.29Å; D266-R270 IonicContact OD2-NH2 3.58Å; D266-R270 PolarHBondContact OD2-NH2 2.84Å; R268-R270 VanDerWaalsContact CB-NH1 3.33Å; R270-W272 HydrophobicContact CB-CZ2 3.96Å; R270-W272 VanDerWaalsContact CB-NE1 3.34Å; R270-W272 HydrophobicContact CG-CZ2 4.43Å; R270-W272 PolarHBondContact O-NE1 3.02Å
271	L	98.8	Very high	98	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131	175	179.7	74.2	0	0	0	109.4	T254 H259 L261 T280 V282 Y284 V321 Y322	T254-L271 HydrophobicContact CG2-CD1 4.23Å; H259-L271 HydrophobicContact CB-CD1 3.54Å; H259-L271 HydrophobicContact CB-CG 4.17Å; L261-L271 HydrophobicContact CD2-CB 4.11Å; L261-L271 HydrophobicContact CD2-CD1 3.74Å; L261-L271 HydrophobicContact CG-CD1 3.86Å; L271-T280 WeakPolarHBondContact CB-OG1 3.48Å; L271-T280 HydrophobicContact CD2-CG2 4.28Å; L271-T280 HydrophobicContact CG-CG2 4.21Å; L271-T280 WeakPolarHBondContact O-CB 3.27Å; L271-T280 WeakPolarHBondContact O-CG2 3.42Å; L271-T280 PolarHBondContact O-N 2.92Å; L271-T280 PolarHBondContact O-OG1 3.44Å; L271-V282 HydrophobicContact CB-CB 4.43Å; L271-V282 HydrophobicContact CD2-CG2 3.97Å; L271-Y284 HydrophobicContact CB-CE2 4.23Å; L271-Y284 VanDerWaalsContact CB-OH 3.31Å; L271-Y284 WeakPolarHBondContact CB-OH 3.42Å; L271-V321 HydrophobicContact CD1-CG1 3.88Å; L271-V321 HydrophobicContact CD2-CG1 4.17Å; L271-Y322 HydrophobicContact CD2-CD1 4.03Å; L271-Y322 HydrophobicContact CD2-CE1 4.38Å
272	W	98.8	Very high	98	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.1	-172.2	-53.5	89.5	0	0	0	110.9	L226 D227 Q228 A243 H259 L260 T262 R270 S274 E278 N279	L226-W272 HydrophobicContact CB-CD2 4.28Å; L226-W272 HydrophobicContact CB-CE3 4.01Å; L226-W272 HydrophobicContact CB-CH2 3.91Å; L226-W272 HydrophobicContact CB-CZ2 4.26Å; L226-W272 HydrophobicContact CB-CZ3 3.8Å; L226-W272 HydrophobicContact CD2-CB 3.38Å; L226-W272 HydrophobicContact CD2-CD2 3.25Å; L226-W272 HydrophobicContact CD2-CE3 3.27Å; L226-W272 HydrophobicContact CD2-CG 3.32Å; L226-W272 HydrophobicContact CD2-CZ3 3.97Å; L226-W272 HydrophobicContact CG-CD2 4.34Å; L226-W272 HydrophobicContact CG-CE3 4.24Å; D227-W272 WeakPolarHBondContact O-CZ3 3.38Å; Q228-W272 VanDerWaalsContact CA-CH2 3.4Å; Q228-W272 HydrophobicContact CB-CH2 3.95Å; A243-W272 HydrophobicContact CB-CH2 4.1Å; A243-W272 HydrophobicContact CB-CZ2 3.76Å; H259-W272 CarbonylContact C-O 3.45Å; H259-W272 WeakPolarHBondContact CA-O 3.44Å; H259-W272 WeakPolarHBondContact CB-O 3.13Å; H259-W272 PolarHBondContact CD2-O 2.79Å; L260-W272 PolarHBondContact N-O 2.96Å; L260-W272 VanDerWaalsContact O-CD1 3.27Å; L260-W272 PolarHBondContact O-N 3.13Å; T262-W272 PolarHBondContact OG1-NE1 3.33Å; R270-W272 HydrophobicContact CB-CZ2 3.96Å; R270-W272 VanDerWaalsContact CB-NE1 3.34Å; R270-W272 HydrophobicContact CG-CZ2 4.43Å; R270-W272 PolarHBondContact O-NE1 3.02Å; W272-S274 PolarHBondContact O-N 3.31Å; W272-E278 CarbonylContact C-O 3.52Å; W272-E278 VanDerWaalsContact CA-O 3.29Å; W272-E278 WeakPolarHBondContact CA-O 3.4Å; W272-N279 HydrophobicContact CD2-CB 4.4Å; W272-N279 VanDerWaalsContact CE3-CA 3.46Å; W272-N279 HydrophobicContact CE3-CB 3.63Å; W272-N279 HydrophobicContact CH2-CB 4.2Å; W272-N279 HydrophobicContact CZ3-CB 3.53Å
273	N	98.3	Very high	97.9	Very high	40 Å²	40	42.5 Å²	42.5	21%	0.214	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	122.5	166.2	-178.9	-51.4	0	0	0	109.2	S275 N276 G277 E278	N273-S275 VanDerWaalsContact C-N 3.26Å; N273-S275 PolarHBondContact O-N 3.41Å; N273-S275 WeakPolarHBondContact OD1-CA 3.2Å; N273-S275 VanDerWaalsContact OD1-CB 3.31Å; N273-S275 WeakPolarHBondContact OD1-CB 3.39Å; N273-S275 PolarHBondContact OD1-N 3.46Å; N273-N276 WeakPolarHBondContact CB-OD1 2.93Å; N273-N276 PolarHBondContact OD1-N 3.32Å; N273-N276 PolarHBondContact OD1-OD1 2.97Å; N273-G277 VanDerWaalsContact O-CA 3.26Å; N273-G277 WeakPolarHBondContact O-CA 3.4Å; N273-G277 PolarHBondContact O-N 3.14Å; N273-E278 HydrophobicContact CB-CB 4.15Å; N273-E278 PolarHBondContact N-O 3.41Å
274	S	97.5	Very high	97.9	Very high	11 Å²	11	42.9 Å²	42.9	8%	0.077	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-18.7	-174.2	68.4	0	0	0	0	113.7	L213 G257 L258 W272	L213-S274 VanDerWaalsContact CD2-O 3.28Å; L213-S274 WeakPolarHBondContact CD2-O 3.5Å; G257-S274 WeakPolarHBondContact O-CB 3.41Å; G257-S274 PolarHBondContact O-OG 2.95Å; L258-S274 WeakPolarHBondContact O-CB 3.34Å; L258-S274 PolarHBondContact O-N 3.01Å; L258-S274 PolarHBondContact O-OG 2.98Å; W272-S274 PolarHBondContact O-N 3.31Å
275	S	96.5	Very high	97.8	Very high	86 Å²	86	44.2 Å²	44.2	60%	0.601	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-48.7	-177.4	-173.2	0	0	0	0	112	N273	N273-S275 VanDerWaalsContact C-N 3.26Å; N273-S275 PolarHBondContact O-N 3.41Å; N273-S275 WeakPolarHBondContact OD1-CA 3.2Å; N273-S275 VanDerWaalsContact OD1-CB 3.31Å; N273-S275 WeakPolarHBondContact OD1-CB 3.39Å; N273-S275 PolarHBondContact OD1-N 3.46Å
276	N	96	Very high	97.7	Very high	89 Å²	89	48.6 Å²	48.6	48%	0.476	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-11.4	-174	66.9	16.5	0	0	0	114	N273 E278	N273-N276 WeakPolarHBondContact CB-OD1 2.93Å; N273-N276 PolarHBondContact OD1-N 3.32Å; N273-N276 PolarHBondContact OD1-OD1 2.97Å; N276-E278 WeakPolarHBondContact OD1-CB 3.3Å; N276-E278 PolarHBondContact OD1-N 3.26Å
277	G	97.1	Very high	97.7	Very high	9 Å²	9	47.2 Å²	47.2	9%	0.093	25%	0.251	C	S	.	.			trans	78.4	13.6	-178.5	0	0	0	0	0	115.1	N273 N279	N273-G277 VanDerWaalsContact O-CA 3.26Å; N273-G277 WeakPolarHBondContact O-CA 3.4Å; N273-G277 PolarHBondContact O-N 3.14Å; G277-N279 PolarHBondContact O-N 3.18Å
278	E	98	Very high	97.6	Very high	100 Å²	100	47.2 Å²	47.2	47%	0.467	25%	0.253	S	S	.	.			trans	-66	126.9	177.3	-179.1	175.8	-152	0	0	111	W272 N273 N276 T280	W272-E278 CarbonylContact C-O 3.52Å; W272-E278 VanDerWaalsContact CA-O 3.29Å; W272-E278 WeakPolarHBondContact CA-O 3.4Å; N273-E278 HydrophobicContact CB-CB 4.15Å; N273-E278 PolarHBondContact N-O 3.41Å; N276-E278 WeakPolarHBondContact OD1-CB 3.3Å; N276-E278 PolarHBondContact OD1-N 3.26Å; E278-T280 PolarHBondContact O-N 3.37Å
279	N	98.3	Very high	97.5	Very high	9 Å²	9	42.2 Å²	42.2	5%	0.048	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-69.9	117.4	167.1	-173	-11.8	0	0	0	108.7	Q228 N230 W272 G277 L281	Q228-N279 PolarHBondContact O-ND2 3Å; N230-N279 PolarHBondContact ND2-O 3.23Å; N230-N279 VanDerWaalsContact OD1-CB 3.28Å; N230-N279 WeakPolarHBondContact OD1-CB 3.44Å; N230-N279 PolarHBondContact OD1-N 3.21Å; W272-N279 HydrophobicContact CD2-CB 4.4Å; W272-N279 VanDerWaalsContact CE3-CA 3.46Å; W272-N279 HydrophobicContact CE3-CB 3.63Å; W272-N279 HydrophobicContact CH2-CB 4.2Å; W272-N279 HydrophobicContact CZ3-CB 3.53Å; G277-N279 PolarHBondContact O-N 3.18Å; N279-L281 HydrophobicContact CB-CD2 4.31Å; N279-L281 PolarHBondContact O-N 3.34Å; N279-L281 PolarHBondContact OD1-N 2.65Å
280	T	98.2	Very high	97.2	Very high	47 Å²	47	48.5 Å²	48.5	29%	0.288	27%	0.268	S	S	.	.			trans	-70.9	-11	-179.8	61.8	0	0	0	0	113.3	L271 E278 V282	L271-T280 WeakPolarHBondContact CB-OG1 3.48Å; L271-T280 HydrophobicContact CD2-CG2 4.28Å; L271-T280 HydrophobicContact CG-CG2 4.21Å; L271-T280 WeakPolarHBondContact O-CB 3.27Å; L271-T280 WeakPolarHBondContact O-CG2 3.42Å; L271-T280 PolarHBondContact O-N 2.92Å; L271-T280 PolarHBondContact O-OG1 3.44Å; E278-T280 PolarHBondContact O-N 3.37Å; T280-V282 PolarHBondContact O-N 3.28Å; T280-V282 WeakPolarHBondContact OG1-CG2 3.33Å
281	L	97.8	Very high	97	Very high	115 Å²	115	48 Å²	48	60%	0.602	27%	0.269	S	S	*	.			trans	62.4	16.6	-179.3	-49.6	173.4	0	0	0	114.3	N279 N283	N279-L281 HydrophobicContact CB-CD2 4.31Å; N279-L281 PolarHBondContact O-N 3.34Å; N279-L281 PolarHBondContact OD1-N 2.65Å; L281-N283 PolarHBondContact O-N 2.93Å
282	V	98.4	Very high	96.8	Very high	28 Å²	28	56.7 Å²	56.7	17%	0.17	31%	0.307	C	S	.	.			trans	-58.9	127.5	170.1	178	0	0	0	0	109.3	L271 T280 Y284 Y322	L271-V282 HydrophobicContact CB-CB 4.43Å; L271-V282 HydrophobicContact CD2-CG2 3.97Å; T280-V282 PolarHBondContact O-N 3.28Å; T280-V282 WeakPolarHBondContact OG1-CG2 3.33Å; V282-Y284 HydrophobicContact CB-CE2 4.11Å; V282-Y284 HydrophobicContact CG1-CD1 4.5Å; V282-Y284 HydrophobicContact CG1-CD2 4.45Å; V282-Y284 HydrophobicContact CG1-CE1 3.86Å; V282-Y284 HydrophobicContact CG1-CE2 3.83Å; V282-Y284 VanDerWaalsContact CG1-CZ 3.49Å; V282-Y322 WeakPolarHBondContact CG2-O 3.34Å
283	N	97.7	Very high	96.6	Very high	111 Å²	111	58.3 Å²	58.3	59%	0.594	31%	0.314	S	S	*	.			trans	-101	110.4	-174.8	-179.4	28.5	0	0	0	111.1	L281 G285	L281-N283 PolarHBondContact O-N 2.93Å; N283-G285 PolarHBondContact OD1-N 3.04Å
284	Y	98	Very high	96.4	Very high	7 Å²	7	56.9 Å²	56.9	3%	0.027	31%	0.308	C	S	.	.			trans	-94.4	8.9	173.2	-52.6	-82.7	0	0	0	113	L261 M269 L271 V282 Y319 V321	L261-Y284 HydrophobicContact CD2-CE2 4.36Å; M269-Y284 HydrophobicContact CB-CD2 3.82Å; M269-Y284 HydrophobicContact CB-CE2 4.45Å; M269-Y284 HydrophobicContact CB-CG 4.17Å; M269-Y284 HydrophobicContact CE-CD1 3.3Å; M269-Y284 HydrophobicContact CE-CD2 3.88Å; M269-Y284 HydrophobicContact CE-CE1 3.67Å; M269-Y284 HydrophobicContact CE-CE2 4.19Å; M269-Y284 HydrophobicContact CE-CG 3.41Å; M269-Y284 VanDerWaalsContact CE-CG 3.41Å; M269-Y284 HydrophobicContact CG-CD2 3.99Å; M269-Y284 HydrophobicContact CG-CE2 4.15Å; M269-Y284 HydrophobicContact CG-CG 4.43Å; M269-Y284 WeakPolarHBondContact O-CD2 3.45Å; L271-Y284 HydrophobicContact CB-CE2 4.23Å; L271-Y284 VanDerWaalsContact CB-OH 3.31Å; L271-Y284 WeakPolarHBondContact CB-OH 3.42Å; V282-Y284 HydrophobicContact CB-CE2 4.11Å; V282-Y284 HydrophobicContact CG1-CD1 4.5Å; V282-Y284 HydrophobicContact CG1-CD2 4.45Å; V282-Y284 HydrophobicContact CG1-CE1 3.86Å; V282-Y284 HydrophobicContact CG1-CE2 3.83Å; V282-Y284 VanDerWaalsContact CG1-CZ 3.49Å; Y284-Y319 AromaticContact CD1-CD1 3.9Å; Y284-Y319 HydrophobicContact CD1-CD1 3.9Å; Y284-Y319 HydrophobicContact CD1-CG 4.07Å; Y284-Y319 VanDerWaalsContact O-CE1 3.31Å; Y284-Y319 WeakPolarHBondContact O-CE1 3.44Å; Y284-V321 PolarHBondContact OH-O 3.44Å
285	G	95.4	Very high	96.4	Very high	29 Å²	29	57 Å²	57	30%	0.299	31%	0.308	S	S	.	.			trans	70.6	-140.6	-174.4	0	0	0	0	0	113.1	R268 N283	R268-G285 PolarHBondContact NH1-O 3.18Å; N283-G285 PolarHBondContact OD1-N 3.04Å
286	K	96.6	Very high	96.5	Very high	131 Å²	131	54.5 Å²	54.5	57%	0.57	29%	0.286	S	S	*	.			trans	-99.4	110.4	177.4	179.7	-175.9	178.4	-177.1	0	108.8	N267 C288 Y312	N267-K286 HydrophobicContact CB-CG 3.85Å; N267-K286 CarbonylContact O-C 3.56Å; N267-K286 WeakPolarHBondContact O-CA 3.41Å; K286-C288 VanDerWaalsContact CE-SG 3.56Å; K286-Y312 WeakPolarHBondContact O-CE2 3.27Å
287	V	96.7	Very high	96.6	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.267	C	S	.	.			trans	-100.7	96.8	176.3	-176.3	0	0	0	0	108.2	V263 N267 M269 N289 V310 Y312 Y319	V263-V287 HydrophobicContact CG2-CG1 4.25Å; N267-V287 CarbonylContact C-O 3.47Å; N267-V287 WeakPolarHBondContact CA-O 3.48Å; N267-V287 WeakPolarHBondContact CB-O 3.33Å; N267-V287 PolarHBondContact O-N 3.37Å; M269-V287 HydrophobicContact CB-CB 4.43Å; M269-V287 HydrophobicContact CB-CG2 3.9Å; V287-N289 PolarHBondContact O-N 2.99Å; V287-V310 HydrophobicContact CG1-CG1 3.91Å; V287-V310 HydrophobicContact CG1-CG2 3.95Å; V287-Y312 HydrophobicContact CG1-CD2 4.42Å; V287-Y319 HydrophobicContact CG2-CE2 4.46Å
288	C	95.3	Very high	96.7	Very high	34 Å²	34	51.7 Å²	51.7	23%	0.23	27%	0.269	C	S	.	.			trans	-62.9	119.6	-172.3	-72.7	0	0	0	0	112	N267 K286 Y312	N267-C288 WeakPolarHBondContact OD1-CA 3.37Å; K286-C288 VanDerWaalsContact CE-SG 3.56Å; C288-Y312 HydrophobicContact CB-CD2 4.19Å; C288-Y312 HydrophobicContact CB-CE1 4.21Å; C288-Y312 HydrophobicContact CB-CE2 3.69Å; C288-Y312 VanDerWaalsContact SG-CZ 3.58Å; C288-Y312 PolarHBondContact SG-OH 2.63Å
289	N	96.6	Very high	96.7	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	25%	0.251	C	S	.	.			trans	-143.7	101.8	-179.4	175.2	9.6	0	0	0	110.3	N249 V263 G264 T265 N267 V287 S291 L295	N249-N289 PolarHBondContact ND2-OD1 3.47Å; N249-N289 PolarHBondContact OD1-ND2 2.72Å; V263-N289 HydrophobicContact CG2-CB 4.37Å; G264-N289 PolarHBondContact O-ND2 3.04Å; T265-N289 WeakPolarHBondContact CA-O 3.24Å; N267-N289 PolarHBondContact OD1-N 3.02Å; V287-N289 PolarHBondContact O-N 2.99Å; N289-S291 PolarHBondContact OD1-N 3.16Å; N289-L295 HydrophobicContact CB-CD2 4.4Å
290	N	92.7	Very high	96.7	Very high	138 Å²	138	47.2 Å²	47.2	74%	0.738	25%	0.249	S	C	*	.			trans	-112.2	18.9	177.5	-63	-46.5	0	0	0	111.6
291	S	94.3	Very high	96.5	Very high	17 Å²	17	47.1 Å²	47.1	12%	0.119	25%	0.25	C	C	.	.			trans	-69.9	138.6	-177.8	-173.9	0	0	0	0	110.9	N289 K293	N289-S291 PolarHBondContact OD1-N 3.16Å; S291-K293 VanDerWaalsContact C-N 3.32Å; S291-K293 PolarHBondContact OG-N 2.92Å; S291-K293 VanDerWaalsContact OG-N 3.12Å; S291-K293 PolarHBondContact OG-O 2.81Å
292	K	94.6	Very high	96.2	Very high	185 Å²	185	43 Å²	43	80%	0.804	24%	0.235	S	C	*	.	S	Bend	trans	-87.9	-5.2	170.2	-64.5	-176.8	-179.9	179.2	0	112.4
293	K	94.8	Very high	95.9	Very high	35 Å²	35	42 Å²	42	15%	0.152	23%	0.229	C	C	.	.	S	Bend	trans	-117.2	177.2	-178.4	-44.9	-163.9	-66	169.3	0	109.3	N47 E103 F120 N249 S291	N47-K293 PolarHBondContact OD1-NZ 2.77Å; E103-K293 IonicContact OE1-NZ 3.67Å; E103-K293 PolarHBondContact OE1-NZ 3.33Å; E103-K293 IonicContact OE2-NZ 3.97Å; E103-K293 PolarHBondContact OE2-NZ 2.78Å; F120-K293 HydrophobicContact CE2-CD 4.14Å; F120-K293 HydrophobicContact CZ-CD 3.98Å; F120-K293 HydrophobicContact CZ-CG 4.4Å; N249-K293 PolarHBondContact ND2-O 3.28Å; S291-K293 VanDerWaalsContact C-N 3.32Å; S291-K293 PolarHBondContact OG-N 2.92Å; S291-K293 VanDerWaalsContact OG-N 3.12Å; S291-K293 PolarHBondContact OG-O 2.81Å
294	G	94.6	Very high	95.6	Very high	9 Å²	9	39.5 Å²	39.5	9%	0.093	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-61.9	135.3	172	0	0	0	0	0	110.8	L190 N249	L190-G294 WeakPolarHBondContact O-CA 3.28Å; N249-G294 CarbonylContact O-C 3.57Å; N249-G294 VanDerWaalsContact O-CA 3.22Å; N249-G294 WeakPolarHBondContact O-CA 3.45Å
295	L	97.7	Very high	95.4	Very high	13 Å²	13	41.8 Å²	41.8	7%	0.068	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-92.7	116.4	173.7	-168.7	68.2	0	0	0	108.5	N249 V263 N289 V310 P311	N249-L295 PolarHBondContact O-N 3.07Å; V263-L295 HydrophobicContact CG1-CB 4.43Å; V263-L295 HydrophobicContact CG1-CD2 3.87Å; V263-L295 HydrophobicContact CG2-CD2 4.15Å; N289-L295 HydrophobicContact CB-CD2 4.4Å; L295-V310 HydrophobicContact CD2-CG2 4.15Å; L295-P311 HydrophobicContact CD1-CB 4.13Å; L295-P311 HydrophobicContact CD1-CG 4.4Å
296	K	98.3	Very high	95.5	Very high	34 Å²	34	41.4 Å²	41.4	15%	0.148	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-95.3	117.9	-176.8	-56.3	-55.4	-165.9	-67.8	0	109.4	N47 E103 T104 P311 C339 C340	N47-K296 WeakPolarHBondContact O-CG 3.48Å; E103-K296 WeakPolarHBondContact O-CE 3.37Å; E103-K296 PolarHBondContact O-NZ 2.94Å; E103-K296 VanDerWaalsContact O-NZ 3.09Å; T104-K296 HydrophobicContact CG2-CD 4.49Å; K296-P311 WeakPolarHBondContact O-CG 3.38Å; K296-C339 HydrophobicContact CB-CB 3.6Å; K296-C339 HydrophobicContact CG-CB 4.3Å; K296-C339 WeakPolarHBondContact O-CA 3.37Å; K296-C340 PolarHBondContact O-N 2.76Å
297	F	98.6	Very high	95.5	Very high	16 Å²	16	35.2 Å²	35.2	7%	0.07	20%	0.201	C	C	.	.			trans	-142.5	163.1	-176.6	77	-86.4	0	0	0	109.4	C252 L261 V263 V308 F309 V310	C252-F297 HydrophobicContact CB-CD2 3.95Å; C252-F297 HydrophobicContact CB-CE1 4.03Å; C252-F297 HydrophobicContact CB-CE2 3.34Å; C252-F297 HydrophobicContact CB-CZ 3.39Å; L261-F297 HydrophobicContact CB-CE2 3.89Å; L261-F297 HydrophobicContact CB-CZ 3.85Å; L261-F297 HydrophobicContact CD1-CE2 4.31Å; V263-F297 HydrophobicContact CG1-CD1 3.98Å; V263-F297 HydrophobicContact CG1-CE1 3.65Å; V263-F297 HydrophobicContact CG1-CZ 4.4Å; F297-V308 HydrophobicContact CD2-CG2 3.63Å; F297-V308 HydrophobicContact CE2-CG2 3.73Å; F297-F309 VanDerWaalsContact CB-O 3.32Å; F297-F309 WeakPolarHBondContact CB-O 3.36Å; F297-V310 HydrophobicContact CB-CB 4.5Å; F297-V310 HydrophobicContact CB-CG2 4.43Å
298	T	98.7	Very high	95.6	Very high	23 Å²	23	35.2 Å²	35.2	14%	0.141	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	164.3	-168	-166.4	0	0	0	0	111.7	F309 F342 L349	T298-F309 HydrophobicContact CG2-CB 4.03Å; T298-F309 HydrophobicContact CG2-CD2 3.85Å; T298-F309 HydrophobicContact CG2-CG 4.35Å; T298-F309 PolarHBondContact N-O 2.96Å; T298-F309 PolarHBondContact O-N 3.13Å; T298-F342 HydrophobicContact CG2-CB 3.75Å; T298-L349 HydrophobicContact CG2-CD1 3.84Å
299	V	98.3	Very high	95.8	Very high	16 Å²	16	33.7 Å²	33.7	10%	0.097	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	138.5	-175.8	176.8	0	0	0	0	108.3	C252 L261 E306 F307 V308 V321	C252-V299 HydrophobicContact CB-CG2 4.25Å; L261-V299 HydrophobicContact CD1-CG2 3.68Å; V299-E306 HydrophobicContact CG1-CG 3.54Å; V299-E306 WeakPolarHBondContact CG1-OE1 3.26Å; V299-F307 CarbonylContact C-O 3.55Å; V299-F307 WeakPolarHBondContact CA-O 3.39Å; V299-V308 HydrophobicContact CG2-CB 4.32Å; V299-V308 HydrophobicContact CG2-CG2 4.22Å; V299-V321 HydrophobicContact CG1-CG2 4.29Å
300	S	97.6	Very high	95.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.189	C	C	.	.			trans	-69	154.8	176.1	75.1	0	0	0	0	110.9	E306 F307	S300-E306 VanDerWaalsContact O-CG 3.29Å; S300-E306 WeakPolarHBondContact O-CG 3.42Å; S300-F307 PolarHBondContact N-O 3.25Å; S300-F307 PolarHBondContact OG-N 3.27Å
301	C	94.6	Very high	96.1	Very high	45 Å²	45	27 Å²	27	30%	0.304	16%	0.155	S	C	.	.			trans	-138.5	169.6	168.8	80.7	0	0	0	0	110.6	C303 S344	C301-C303 PolarHBondContact O-N 3.41Å; C301-C303 VanDerWaalsContact O-N 3.12Å; C301-C303 PolarHBondContact O-SG 2.95Å; C301-S344 PolarHBondContact SG-OG 3.01Å
302	G	91.3	Very high	96.3	Very high	28 Å²	28	29 Å²	29	29%	0.289	16%	0.16	S	C	.	.	S	Bend	trans	70.3	4.9	-179.8	0	0	0	0	0	115.5
303	C	91.2	Very high	96.3	Very high	6 Å²	6	21.9 Å²	21.9	4%	0.041	14%	0.14	C	C	.	.	S	Bend	trans	-101.8	157	177.9	-58.3	0	0	0	0	110.8	R20 C301 S305	R20-C303 PolarHBondContact NH2-O 2.78Å; C301-C303 PolarHBondContact O-N 3.41Å; C301-C303 VanDerWaalsContact O-N 3.12Å; C301-C303 PolarHBondContact O-SG 2.95Å; C303-S305 WeakPolarHBondContact CB-O 3.35Å
304	S	92.6	Very high	96.4	Very high	59 Å²	59	22.4 Å²	22.4	41%	0.413	15%	0.148	S	C	.	.	S	Bend	trans	-63.8	-46.3	171.8	-67.1	0	0	0	0	111.2	R20 A21 T24	R20-S304 WeakPolarHBondContact CB-OG 3.46Å; R20-S304 PolarHBondContact O-N 3.31Å; R20-S304 PolarHBondContact O-OG 2.79Å; A21-S304 WeakPolarHBondContact CA-OG 3.48Å; A21-S304 PolarHBondContact N-OG 2.67Å; A21-S304 VanDerWaalsContact N-OG 3.15Å; T24-S304 WeakPolarHBondContact OG1-CB 3.39Å; T24-S304 PolarHBondContact OG1-N 3.36Å
305	S	93.4	Very high	96.6	Very high	56 Å²	56	22.8 Å²	22.8	39%	0.392	15%	0.148	S	C	.	.	S	Bend	trans	-97.6	134.9	170.3	-58	0	0	0	0	110.1	T24 C303 F307	T24-S305 PolarHBondContact OG1-N 3.31Å; C303-S305 WeakPolarHBondContact CB-O 3.35Å; S305-F307 WeakPolarHBondContact O-CD2 3.31Å; S305-F307 WeakPolarHBondContact O-CE2 3.43Å
306	E	96.3	Very high	96.7	Very high	20 Å²	20	22.2 Å²	22.2	9%	0.093	15%	0.145	C	C	.	.			trans	-88.6	132.2	173.5	-156.5	167.6	121.7	0	0	109.7	T254 S255 V299 S300 V321 Y322	T254-E306 VanDerWaalsContact CA-OE1 3.23Å; T254-E306 WeakPolarHBondContact CA-OE1 3.45Å; T254-E306 WeakPolarHBondContact CB-OE1 3.33Å; T254-E306 WeakPolarHBondContact CG2-OE1 3.39Å; S255-E306 WeakPolarHBondContact CB-OE2 3.47Å; S255-E306 PolarHBondContact N-OE1 3.16Å; S255-E306 PolarHBondContact OG-OE2 3.42Å; V299-E306 HydrophobicContact CG1-CG 3.54Å; V299-E306 WeakPolarHBondContact CG1-OE1 3.26Å; S300-E306 VanDerWaalsContact O-CG 3.29Å; S300-E306 WeakPolarHBondContact O-CG 3.42Å; E306-V321 HydrophobicContact CB-CB 4.2Å; E306-V321 HydrophobicContact CB-CG2 4.01Å; E306-V321 HydrophobicContact CG-CG2 3.96Å; E306-V321 WeakPolarHBondContact O-CG2 3.5Å; E306-V321 PolarHBondContact O-N 3.28Å; E306-Y322 HydrophobicContact CB-CE2 4.01Å
307	F	98.2	Very high	96.7	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.009	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	146.6	-179.3	-58.8	-83.8	0	0	0	109.8	T24 V27 L28 V299 S300 S305 F309 V318 Y319 T320 I327	T24-F307 HydrophobicContact CG2-CE2 3.85Å; T24-F307 HydrophobicContact CG2-CZ 3.76Å; V27-F307 HydrophobicContact CB-CD2 3.98Å; V27-F307 HydrophobicContact CB-CE2 3.8Å; V27-F307 HydrophobicContact CG1-CB 4.37Å; V27-F307 HydrophobicContact CG1-CD2 3.39Å; V27-F307 HydrophobicContact CG1-CE2 3.65Å; V27-F307 HydrophobicContact CG1-CG 3.86Å; V27-F307 HydrophobicContact CG1-CZ 4.32Å; V27-F307 HydrophobicContact CG2-CD2 4.47Å; L28-F307 HydrophobicContact CD2-CE1 3.78Å; L28-F307 HydrophobicContact CD2-CZ 3.77Å; L28-F307 HydrophobicContact CG-CZ 4.07Å; V299-F307 CarbonylContact C-O 3.55Å; V299-F307 WeakPolarHBondContact CA-O 3.39Å; S300-F307 PolarHBondContact N-O 3.25Å; S300-F307 PolarHBondContact OG-N 3.27Å; S305-F307 WeakPolarHBondContact O-CD2 3.31Å; S305-F307 WeakPolarHBondContact O-CE2 3.43Å; F307-F309 HydrophobicContact CB-CE2 4.4Å; F307-F309 HydrophobicContact CB-CZ 4.25Å; F307-V318 HydrophobicContact CB-CG1 4.34Å; F307-V318 HydrophobicContact CD1-CG1 4.33Å; F307-Y319 CarbonylContact C-O 3.52Å; F307-Y319 WeakPolarHBondContact CA-O 3.45Å; F307-T320 HydrophobicContact CD1-CG2 4Å; F307-T320 HydrophobicContact CE1-CG2 3.79Å; F307-I327 HydrophobicContact CD1-CG1 4.35Å; F307-I327 HydrophobicContact CE1-CG1 4.1Å
308	V	98.5	Very high	96.6	Very high	0 Å²	0	20 Å²	20	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.5	170	56.3	0	0	0	0	109.1	L261 M269 F297 V299 Y319 V321	L261-V308 HydrophobicContact CD1-CB 3.94Å; L261-V308 HydrophobicContact CD1-CG1 4.47Å; L261-V308 HydrophobicContact CD1-CG2 3.82Å; M269-V308 HydrophobicContact CE-CG1 3.57Å; M269-V308 HydrophobicContact SD-CG1 4.21Å; M269-V308 HydrophobicContact SD-CG2 4.11Å; F297-V308 HydrophobicContact CD2-CG2 3.63Å; F297-V308 HydrophobicContact CE2-CG2 3.73Å; V299-V308 HydrophobicContact CG2-CB 4.32Å; V299-V308 HydrophobicContact CG2-CG2 4.22Å; V308-Y319 PolarHBondContact N-O 3.29Å; V308-Y319 PolarHBondContact O-N 2.91Å; V308-V321 HydrophobicContact CB-CG2 4.07Å; V308-V321 HydrophobicContact CG1-CG2 4.28Å
309	F	98.6	Very high	96.6	Very high	1 Å²	1	19.1 Å²	19.1	0%	0.004	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	109	178	-54.3	-85.7	0	0	0	108	V27 F297 T298 F307 I316 V318 C340 F342 L349	V27-F309 HydrophobicContact CG1-CE1 4.27Å; V27-F309 HydrophobicContact CG1-CZ 3.8Å; F297-F309 VanDerWaalsContact CB-O 3.32Å; F297-F309 WeakPolarHBondContact CB-O 3.36Å; T298-F309 HydrophobicContact CG2-CB 4.03Å; T298-F309 HydrophobicContact CG2-CD2 3.85Å; T298-F309 HydrophobicContact CG2-CG 4.35Å; T298-F309 PolarHBondContact N-O 2.96Å; T298-F309 PolarHBondContact O-N 3.13Å; F307-F309 HydrophobicContact CB-CE2 4.4Å; F307-F309 HydrophobicContact CB-CZ 4.25Å; F309-I316 HydrophobicContact CB-CG2 3.81Å; F309-V318 HydrophobicContact CD1-CB 4.4Å; F309-V318 HydrophobicContact CD1-CG1 3.96Å; F309-V318 HydrophobicContact CD1-CG2 3.82Å; F309-V318 HydrophobicContact CE1-CG1 3.77Å; F309-V318 HydrophobicContact CE1-CG2 4.12Å; F309-C340 PolarHBondContact O-SG 2.98Å; F309-F342 HydrophobicContact CD2-CB 4.48Å; F309-F342 HydrophobicContact CD2-CD2 4.45Å; F309-F342 HydrophobicContact CE2-CB 4.28Å; F309-F342 AromaticContact CE2-CD2 3.54Å; F309-F342 HydrophobicContact CE2-CD2 3.54Å; F309-F342 HydrophobicContact CE2-CE2 4.11Å; F309-F342 HydrophobicContact CE2-CG 4.08Å; F309-F342 AromaticContact CZ-CD2 3.89Å; F309-F342 HydrophobicContact CZ-CD2 3.89Å; F309-F342 HydrophobicContact CZ-CE2 4.14Å; F309-L349 HydrophobicContact CB-CD1 4.12Å; F309-L349 HydrophobicContact CB-CD2 4.37Å; F309-L349 HydrophobicContact CD1-CD1 4.11Å; F309-L349 HydrophobicContact CD1-CD2 3.9Å; F309-L349 HydrophobicContact CD2-CD1 3.89Å; F309-L349 HydrophobicContact CE1-CD2 4.47Å; F309-L349 HydrophobicContact CE2-CD1 4.27Å; F309-L349 HydrophobicContact CG-CD1 3.78Å; F309-L349 HydrophobicContact CG-CD2 4.22Å
310	V	98.5	Very high	96.6	Very high	0 Å²	0	19 Å²	19	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.5	-177.3	62.9	0	0	0	0	110.8	V287 L295 F297 Y312 A317 Y319	V287-V310 HydrophobicContact CG1-CG1 3.91Å; V287-V310 HydrophobicContact CG1-CG2 3.95Å; L295-V310 HydrophobicContact CD2-CG2 4.15Å; F297-V310 HydrophobicContact CB-CB 4.5Å; F297-V310 HydrophobicContact CB-CG2 4.43Å; V310-Y312 PolarHBondContact O-N 3.36Å; V310-A317 HydrophobicContact CG1-CB 4Å; V310-A317 PolarHBondContact N-O 3.45Å; V310-A317 PolarHBondContact O-N 2.81Å; V310-Y319 HydrophobicContact CG1-CD2 4.01Å; V310-Y319 HydrophobicContact CG1-CE2 3.71Å
311	P	98.3	Very high	96.6	Very high	3 Å²	3	19 Å²	19	2%	0.019	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	128	172	-25.5	35	0	0	0	111.3	L295 K296 V337	L295-P311 HydrophobicContact CD1-CB 4.13Å; L295-P311 HydrophobicContact CD1-CG 4.4Å; K296-P311 WeakPolarHBondContact O-CG 3.38Å; P311-V337 HydrophobicContact CB-CB 3.98Å; P311-V337 HydrophobicContact CB-CG1 3.9Å; P311-V337 WeakPolarHBondContact CB-O 3.38Å; P311-V337 HydrophobicContact CG-CG1 4.14Å
312	Y	96.7	Very high	96.8	Very high	57 Å²	57	21.7 Å²	21.7	22%	0.224	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	98.8	-175.4	-170.9	-75.7	0	0	0	109.2	K286 V287 C288 V310 S314 T315 A317 M329	K286-Y312 WeakPolarHBondContact O-CE2 3.27Å; V287-Y312 HydrophobicContact CG1-CD2 4.42Å; C288-Y312 HydrophobicContact CB-CD2 4.19Å; C288-Y312 HydrophobicContact CB-CE1 4.21Å; C288-Y312 HydrophobicContact CB-CE2 3.69Å; C288-Y312 VanDerWaalsContact SG-CZ 3.58Å; C288-Y312 PolarHBondContact SG-OH 2.63Å; V310-Y312 PolarHBondContact O-N 3.36Å; Y312-S314 PolarHBondContact O-N 2.85Å; Y312-T315 CarbonylContact C-O 3.47Å; Y312-T315 PolarHBondContact N-O 3.22Å; Y312-T315 PolarHBondContact O-N 2.9Å; Y312-T315 PolarHBondContact O-OG1 2.92Å; Y312-A317 HydrophobicContact CD2-CB 4.46Å; Y312-A317 HydrophobicContact CG-CB 4.39Å; Y312-M329 HydrophobicContact CD1-CE 3.51Å; Y312-M329 HydrophobicContact CE1-CE 3.92Å; Y312-M329 HydrophobicContact CG-CE 4.22Å
313	G	96.1	Very high	97	Very high	37 Å²	37	23.9 Å²	23.9	38%	0.381	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	-129.3	-173.4	0	0	0	0	0	110.8	T315 T336 V337	G313-T315 PolarHBondContact O-N 3.1Å; G313-T336 CarbonylContact O-C 3.58Å; G313-T336 VanDerWaalsContact O-CA 3.23Å; G313-T336 WeakPolarHBondContact O-CA 3.27Å; G313-V337 PolarHBondContact O-N 3.12Å
314	S	97.3	Very high	97.3	Very high	45 Å²	45	23.9 Å²	23.9	32%	0.315	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	20.3	176.5	-48.3	0	0	0	0	114.2	Y312 H333 K335	Y312-S314 PolarHBondContact O-N 2.85Å; S314-H333 WeakPolarHBondContact CB-O 3.47Å; S314-K335 VanDerWaalsContact CA-O 3.26Å; S314-K335 WeakPolarHBondContact CA-O 3.24Å; S314-K335 VanDerWaalsContact CB-O 3.28Å; S314-K335 WeakPolarHBondContact CB-O 3.43Å; S314-K335 VanDerWaalsContact OG-C 3.27Å; S314-K335 PolarHBondContact OG-O 2.99Å
315	T	98.2	Very high	97.5	Very high	18 Å²	18	27.3 Å²	27.3	11%	0.11	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	171.1	-176.3	65.3	0	0	0	0	111	Y312 G313 M329 L330 K331	Y312-T315 CarbonylContact C-O 3.47Å; Y312-T315 PolarHBondContact N-O 3.22Å; Y312-T315 PolarHBondContact O-N 2.9Å; Y312-T315 PolarHBondContact O-OG1 2.92Å; G313-T315 PolarHBondContact O-N 3.1Å; T315-M329 HydrophobicContact CG2-CE 4.25Å; T315-M329 WeakPolarHBondContact OG1-CE 3.39Å; T315-L330 VanDerWaalsContact CA-O 3.23Å; T315-L330 WeakPolarHBondContact CA-O 3.4Å; T315-L330 VanDerWaalsContact CB-O 3.22Å; T315-L330 WeakPolarHBondContact CB-O 3.28Å; T315-K331 HydrophobicContact CG2-CB 4.5Å; T315-K331 HydrophobicContact CG2-CG 3.67Å
316	I	98.6	Very high	97.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.9	165.9	-50.6	99.4	0	0	0	108.2	F309 M329 L330 V337 C340 L349 W361	F309-I316 HydrophobicContact CB-CG2 3.81Å; I316-M329 CarbonylContact O-C 3.54Å; I316-M329 WeakPolarHBondContact O-CA 3.31Å; I316-L330 HydrophobicContact CB-CB 4.16Å; I316-L330 HydrophobicContact CB-CD1 4.27Å; I316-L330 HydrophobicContact CD1-CB 4.08Å; I316-L330 PolarHBondContact N-O 3.48Å; I316-L330 VanDerWaalsContact N-O 3.07Å; I316-L330 PolarHBondContact O-N 3.06Å; I316-V337 HydrophobicContact CD1-CG2 4.43Å; I316-V337 HydrophobicContact CG1-CG1 4.06Å; I316-V337 HydrophobicContact CG1-CG2 4.47Å; I316-C340 HydrophobicContact CG1-CB 4.37Å; I316-C340 HydrophobicContact CG2-CB 4.44Å; I316-L349 HydrophobicContact CG2-CD2 4.3Å; I316-W361 HydrophobicContact CD1-CH2 4.21Å; I316-W361 HydrophobicContact CD1-CZ2 3.43Å; I316-W361 VanDerWaalsContact CD1-CZ2 3.43Å
317	A	98.4	Very high	97.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	134.8	175.5	0	0	0	0	0	109.9	V310 Y312 Y319 M329	V310-A317 HydrophobicContact CG1-CB 4Å; V310-A317 PolarHBondContact N-O 3.45Å; V310-A317 PolarHBondContact O-N 2.81Å; Y312-A317 HydrophobicContact CD2-CB 4.46Å; Y312-A317 HydrophobicContact CG-CB 4.39Å; A317-Y319 HydrophobicContact CB-CD2 4.29Å; A317-Y319 HydrophobicContact CB-CE2 3.5Å; A317-M329 HydrophobicContact CB-CG 4.26Å
318	V	98.3	Very high	97.6	Very high	5 Å²	5	34 Å²	34	3%	0.03	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.9	-177.7	-169.8	0	0	0	0	108.6	F307 F309 I327 T328 L330	F307-V318 HydrophobicContact CB-CG1 4.34Å; F307-V318 HydrophobicContact CD1-CG1 4.33Å; F309-V318 HydrophobicContact CD1-CB 4.4Å; F309-V318 HydrophobicContact CD1-CG1 3.96Å; F309-V318 HydrophobicContact CD1-CG2 3.82Å; F309-V318 HydrophobicContact CE1-CG1 3.77Å; F309-V318 HydrophobicContact CE1-CG2 4.12Å; V318-I327 PolarHBondContact O-N 2.84Å; V318-T328 HydrophobicContact CB-CG2 4.14Å; V318-T328 HydrophobicContact CG2-CG2 3.89Å; V318-T328 PolarHBondContact N-O 2.92Å; V318-L330 HydrophobicContact CG2-CD1 4.1Å; V318-L330 HydrophobicContact CG2-CD2 4.44Å; V318-L330 HydrophobicContact CG2-CG 3.88Å
319	Y	98.4	Very high	97.5	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	154.6	176.9	-61	-101.3	0	0	0	110.7	M269 Y284 V287 F307 V308 V310 A317 G324 E325 Q326	M269-Y319 HydrophobicContact CE-CD2 4.05Å; M269-Y319 HydrophobicContact CE-CG 4.21Å; Y284-Y319 AromaticContact CD1-CD1 3.9Å; Y284-Y319 HydrophobicContact CD1-CD1 3.9Å; Y284-Y319 HydrophobicContact CD1-CG 4.07Å; Y284-Y319 VanDerWaalsContact O-CE1 3.31Å; Y284-Y319 WeakPolarHBondContact O-CE1 3.44Å; V287-Y319 HydrophobicContact CG2-CE2 4.46Å; F307-Y319 CarbonylContact C-O 3.52Å; F307-Y319 WeakPolarHBondContact CA-O 3.45Å; V308-Y319 PolarHBondContact N-O 3.29Å; V308-Y319 PolarHBondContact O-N 2.91Å; V310-Y319 HydrophobicContact CG1-CD2 4.01Å; V310-Y319 HydrophobicContact CG1-CE2 3.71Å; A317-Y319 HydrophobicContact CB-CD2 4.29Å; A317-Y319 HydrophobicContact CB-CE2 3.5Å; Y319-G324 WeakPolarHBondContact CD1-O 3.29Å; Y319-E325 CarbonylContact C-O 3.57Å; Y319-E325 VanDerWaalsContact CA-O 3.29Å; Y319-E325 WeakPolarHBondContact CA-O 3.49Å; Y319-Q326 HydrophobicContact CD1-CB 3.74Å; Y319-Q326 HydrophobicContact CD1-CG 4.19Å; Y319-Q326 HydrophobicContact CE1-CB 3.53Å; Y319-Q326 HydrophobicContact CE1-CG 3.83Å; Y319-Q326 HydrophobicContact CE2-CG 4.42Å; Y319-Q326 PolarHBondContact OH-OE1 2.81Å; Y319-Q326 VanDerWaalsContact OH-OE1 3.06Å
320	T	97.9	Very high	97.5	Very high	13 Å²	13	36.9 Å²	36.9	8%	0.08	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	129.5	162.2	46.8	0	0	0	0	109.6	F307 Y322 S323 G324 E325 I327	F307-T320 HydrophobicContact CD1-CG2 4Å; F307-T320 HydrophobicContact CE1-CG2 3.79Å; T320-Y322 PolarHBondContact O-N 3.24Å; T320-S323 WeakPolarHBondContact CB-OG 3.08Å; T320-S323 PolarHBondContact OG1-OG 2.81Å; T320-G324 WeakPolarHBondContact O-CA 3.03Å; T320-G324 PolarHBondContact O-N 2.86Å; T320-E325 PolarHBondContact N-O 3.35Å; T320-E325 PolarHBondContact OG1-N 3.37Å; T320-E325 VanDerWaalsContact OG1-N 3.12Å; T320-E325 PolarHBondContact OG1-O 3.06Å; T320-E325 VanDerWaalsContact OG1-O 3.1Å; T320-I327 HydrophobicContact CG2-CD1 3.86Å; T320-I327 HydrophobicContact CG2-CG1 4.08Å
321	V	98.2	Very high	97.5	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-50.1	-173.3	172.2	0	0	0	0	111.2	T254 L261 L271 Y284 V299 E306 V308	T254-V321 HydrophobicContact CG2-CG1 3.89Å; L261-V321 HydrophobicContact CD1-CG2 4.42Å; L271-V321 HydrophobicContact CD1-CG1 3.88Å; L271-V321 HydrophobicContact CD2-CG1 4.17Å; Y284-V321 PolarHBondContact OH-O 3.44Å; V299-V321 HydrophobicContact CG1-CG2 4.29Å; E306-V321 HydrophobicContact CB-CB 4.2Å; E306-V321 HydrophobicContact CB-CG2 4.01Å; E306-V321 HydrophobicContact CG-CG2 3.96Å; E306-V321 WeakPolarHBondContact O-CG2 3.5Å; E306-V321 PolarHBondContact O-N 3.28Å; V308-V321 HydrophobicContact CB-CG2 4.07Å; V308-V321 HydrophobicContact CG1-CG2 4.28Å
322	Y	97.7	Very high	97.4	Very high	102 Å²	102	45.1 Å²	45.1	40%	0.4	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-26.6	-169.3	-59	-71.5	0	0	0	114.7	H259 L271 V282 E306 T320	H259-Y322 AromaticContact CE1-CE1 3.95Å; H259-Y322 AromaticContact ND1-CE1 3.78Å; L271-Y322 HydrophobicContact CD2-CD1 4.03Å; L271-Y322 HydrophobicContact CD2-CE1 4.38Å; V282-Y322 WeakPolarHBondContact CG2-O 3.34Å; E306-Y322 HydrophobicContact CB-CE2 4.01Å; T320-Y322 PolarHBondContact O-N 3.24Å
323	S	96.4	Very high	97.5	Very high	74 Å²	74	42.9 Å²	42.9	52%	0.517	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-26.1	176.2	30.6	0	0	0	0	113	T320 E325	T320-S323 WeakPolarHBondContact CB-OG 3.08Å; T320-S323 PolarHBondContact OG1-OG 2.81Å; S323-E325 PolarHBondContact O-N 3.36Å
324	G	97.1	Very high	97.6	Very high	5 Å²	5	51.2 Å²	51.2	5%	0.052	26%	0.255	C	S	.	.			trans	77.2	2	-177.8	0	0	0	0	0	114.7	Y319 T320 Q326	Y319-G324 WeakPolarHBondContact CD1-O 3.29Å; T320-G324 WeakPolarHBondContact O-CA 3.03Å; T320-G324 PolarHBondContact O-N 2.86Å; G324-Q326 PolarHBondContact O-N 3.07Å
325	E	96.9	Very high	97.6	Very high	131 Å²	131	54.5 Å²	54.5	61%	0.612	26%	0.264	S	S	*	.			trans	-70	129.9	178	-65.1	-167.9	161.6	0	0	110.8	Y319 T320 S323	Y319-E325 CarbonylContact C-O 3.57Å; Y319-E325 VanDerWaalsContact CA-O 3.29Å; Y319-E325 WeakPolarHBondContact CA-O 3.49Å; T320-E325 PolarHBondContact N-O 3.35Å; T320-E325 PolarHBondContact OG1-N 3.37Å; T320-E325 VanDerWaalsContact OG1-N 3.12Å; T320-E325 PolarHBondContact OG1-O 3.06Å; T320-E325 VanDerWaalsContact OG1-O 3.1Å; S323-E325 PolarHBondContact O-N 3.36Å
326	Q	97.3	Very high	97.6	Very high	94 Å²	94	56.2 Å²	56.2	44%	0.439	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	120.8	170.6	-167.6	-173.8	-74.6	0	0	109	Y319 G324	Y319-Q326 HydrophobicContact CD1-CB 3.74Å; Y319-Q326 HydrophobicContact CD1-CG 4.19Å; Y319-Q326 HydrophobicContact CE1-CB 3.53Å; Y319-Q326 HydrophobicContact CE1-CG 3.83Å; Y319-Q326 HydrophobicContact CE2-CG 4.42Å; Y319-Q326 PolarHBondContact OH-OE1 2.81Å; Y319-Q326 VanDerWaalsContact OH-OE1 3.06Å; G324-Q326 PolarHBondContact O-N 3.07Å
327	I	95.7	Very high	97.6	Very high	66 Å²	66	56.3 Å²	56.3	34%	0.338	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-53.1	179.2	-57.6	-55.8	0	0	0	110.4	L28 F307 V318 T320	L28-I327 HydrophobicContact CD2-CD1 4.34Å; L28-I327 HydrophobicContact CD2-CG1 4.28Å; L28-I327 HydrophobicContact CD2-CG2 3.7Å; F307-I327 HydrophobicContact CD1-CG1 4.35Å; F307-I327 HydrophobicContact CE1-CG1 4.1Å; V318-I327 PolarHBondContact O-N 2.84Å; T320-I327 HydrophobicContact CG2-CD1 3.86Å; T320-I327 HydrophobicContact CG2-CG1 4.08Å
328	T	96.4	Very high	97.5	Very high	59 Å²	59	56.9 Å²	56.9	36%	0.362	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	175.7	-176.2	-168.5	0	0	0	0	111.1	V318 L330	V318-T328 HydrophobicContact CB-CG2 4.14Å; V318-T328 HydrophobicContact CG2-CG2 3.89Å; V318-T328 PolarHBondContact N-O 2.92Å; T328-L330 HydrophobicContact CG2-CD2 4.16Å
329	M	97.1	Very high	97.6	Very high	53 Å²	53	56.7 Å²	56.7	26%	0.261	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	115.7	168.6	-65.4	173.5	68.3	0	0	108.4	Y312 T315 I316 A317 K331	Y312-M329 HydrophobicContact CD1-CE 3.51Å; Y312-M329 HydrophobicContact CE1-CE 3.92Å; Y312-M329 HydrophobicContact CG-CE 4.22Å; T315-M329 HydrophobicContact CG2-CE 4.25Å; T315-M329 WeakPolarHBondContact OG1-CE 3.39Å; I316-M329 CarbonylContact O-C 3.54Å; I316-M329 WeakPolarHBondContact O-CA 3.31Å; A317-M329 HydrophobicContact CB-CG 4.26Å; M329-K331 WeakPolarHBondContact O-CG 3.23Å; M329-K331 PolarHBondContact O-N 3.36Å
330	L	98.1	Very high	97.6	Very high	8 Å²	8	57 Å²	57	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	116.7	177.7	-58.4	179.2	0	0	0	109.4	L30 T315 I316 V318 T328 L349 W361	L30-L330 HydrophobicContact CD2-CD1 3.32Å; L30-L330 HydrophobicContact CD2-CD2 3.55Å; L30-L330 HydrophobicContact CD2-CG 4.07Å; L30-L330 VanDerWaalsContact O-CD2 3.31Å; L30-L330 WeakPolarHBondContact O-CD2 3.26Å; T315-L330 VanDerWaalsContact CA-O 3.23Å; T315-L330 WeakPolarHBondContact CA-O 3.4Å; T315-L330 VanDerWaalsContact CB-O 3.22Å; T315-L330 WeakPolarHBondContact CB-O 3.28Å; I316-L330 HydrophobicContact CB-CB 4.16Å; I316-L330 HydrophobicContact CB-CD1 4.27Å; I316-L330 HydrophobicContact CD1-CB 4.08Å; I316-L330 PolarHBondContact N-O 3.48Å; I316-L330 VanDerWaalsContact N-O 3.07Å; I316-L330 PolarHBondContact O-N 3.06Å; V318-L330 HydrophobicContact CG2-CD1 4.1Å; V318-L330 HydrophobicContact CG2-CD2 4.44Å; V318-L330 HydrophobicContact CG2-CG 3.88Å; T328-L330 HydrophobicContact CG2-CD2 4.16Å; L330-L349 HydrophobicContact CD1-CD2 3.48Å; L330-L349 VanDerWaalsContact CD1-CD2 3.48Å; L330-W361 HydrophobicContact CB-CD2 4.2Å; L330-W361 HydrophobicContact CB-CE3 3.73Å; L330-W361 HydrophobicContact CB-CH2 3.83Å; L330-W361 HydrophobicContact CB-CZ2 4.28Å; L330-W361 HydrophobicContact CB-CZ3 3.55Å; L330-W361 HydrophobicContact CD1-CD2 4.14Å; L330-W361 HydrophobicContact CD1-CE3 4.24Å; L330-W361 HydrophobicContact CD1-CG 4.33Å; L330-W361 HydrophobicContact CD2-CE3 4.25Å; L330-W361 HydrophobicContact CG-CE3 4.29Å
331	K	97.9	Very high	97.6	Very high	154 Å²	154	57 Å²	57	67%	0.67	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.1	-173.7	-68.5	168	-172.5	179.2	0	110	T315 M329 W361	T315-K331 HydrophobicContact CG2-CB 4.5Å; T315-K331 HydrophobicContact CG2-CG 3.67Å; M329-K331 WeakPolarHBondContact O-CG 3.23Å; M329-K331 PolarHBondContact O-N 3.36Å; K331-W361 VanDerWaalsContact C-CH2 3.47Å; K331-W361 WeakPolarHBondContact O-CZ3 3.49Å
332	G	97.4	Very high	97.6	Very high	22 Å²	22	57.6 Å²	57.6	23%	0.227	28%	0.282	C	S	.	.			trans	178.7	-35.2	-176.8	0	0	0	0	0	112.8
333	H	98.3	Very high	97.5	Very high	11 Å²	11	53.4 Å²	53.4	5%	0.051	27%	0.266	C	S	.	.			trans	-75.5	144.7	173	-73.5	-70	0	0	0	112.3	S314 V337 S351 S353 D355 N357 L359	S314-H333 WeakPolarHBondContact CB-O 3.47Å; H333-V337 HydrophobicContact CB-CG2 3.99Å; H333-S351 PolarHBondContact CD2-OG 3.2Å; H333-S351 WeakPolarHBondContact NE2-CB 3.15Å; H333-S351 PolarHBondContact NE2-O 3.4Å; H333-S351 PolarHBondContact NE2-OG 3.18Å; H333-S353 WeakPolarHBondContact CE1-CB 3.45Å; H333-S353 WeakPolarHBondContact ND1-CB 3.49Å; H333-D355 WeakPolarHBondContact CB-OD2 3.03Å; H333-D355 IonicContact CE1-OD1 3.97Å; H333-D355 IonicContact CE1-OD2 3.24Å; H333-D355 IonicContact CG-OD2 2.65Å; H333-D355 IonicContact ND1-OD1 3.52Å; H333-D355 PolarHBondContact ND1-OD1 3.06Å; H333-D355 IonicContact ND1-OD2 3.97Å; H333-D355 PolarHBondContact ND1-OD2 2.94Å; H333-N357 PolarHBondContact CE1-O 3.47Å; H333-L359 VanDerWaalsContact CE1-CG 3.5Å; H333-L359 WeakPolarHBondContact CE1-CG 3.24Å
334	Y	97.3	Very high	97.3	Very high	211 Å²	211	52 Å²	52	83%	0.827	26%	0.256	S	S	*	.	S	Bend	trans	-94.8	-16.2	176.6	-64.5	-81.5	0	0	0	112.7	D355	Y334-D355 PolarHBondContact N-OD2 3.13Å
335	K	98	Very high	97.2	Very high	115 Å²	115	55.2 Å²	55.2	50%	0.5	27%	0.272	S	S	.	.	S	Bend	trans	-124.1	173.4	175.4	-66.1	-174	-175.9	171.2	0	110.8	S314 V337 S353 R354 D355	S314-K335 VanDerWaalsContact CA-O 3.26Å; S314-K335 WeakPolarHBondContact CA-O 3.24Å; S314-K335 VanDerWaalsContact CB-O 3.28Å; S314-K335 WeakPolarHBondContact CB-O 3.43Å; S314-K335 VanDerWaalsContact OG-C 3.27Å; S314-K335 PolarHBondContact OG-O 2.99Å; K335-V337 PolarHBondContact O-N 3.03Å; K335-S353 PolarHBondContact O-OG 3Å; K335-S353 VanDerWaalsContact O-OG 3.06Å; K335-R354 HydrophobicContact CB-CB 4.01Å; K335-R354 HydrophobicContact CD-CB 4.25Å; K335-R354 VanDerWaalsContact CD-O 3.29Å; K335-R354 WeakPolarHBondContact CD-O 3.1Å; K335-D355 HydrophobicContact CB-CB 4.07Å; K335-D355 HydrophobicContact CD-CB 4.27Å; K335-D355 HydrophobicContact CG-CB 4.18Å
336	T	97.8	Very high	97.1	Very high	54 Å²	54	54 Å²	54	33%	0.331	27%	0.265	S	S	.	.			trans	-55.3	127.9	-178.6	-48.2	0	0	0	0	112	G313 S353 R354	G313-T336 CarbonylContact O-C 3.58Å; G313-T336 VanDerWaalsContact O-CA 3.23Å; G313-T336 WeakPolarHBondContact O-CA 3.27Å; T336-S353 PolarHBondContact O-OG 2.88Å; T336-R354 PolarHBondContact O-N 3.29Å
337	V	98.3	Very high	97	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	127.5	171.8	-175.7	0	0	0	0	108.4	P311 G313 I316 H333 K335 C339 G352	P311-V337 HydrophobicContact CB-CB 3.98Å; P311-V337 HydrophobicContact CB-CG1 3.9Å; P311-V337 WeakPolarHBondContact CB-O 3.38Å; P311-V337 HydrophobicContact CG-CG1 4.14Å; G313-V337 PolarHBondContact O-N 3.12Å; I316-V337 HydrophobicContact CD1-CG2 4.43Å; I316-V337 HydrophobicContact CG1-CG1 4.06Å; I316-V337 HydrophobicContact CG1-CG2 4.47Å; H333-V337 HydrophobicContact CB-CG2 3.99Å; K335-V337 PolarHBondContact O-N 3.03Å; V337-C339 WeakPolarHBondContact CG1-O 3.38Å; V337-G352 WeakPolarHBondContact CG1-O 3.31Å
338	D	97.9	Very high	97	Very high	11 Å²	11	47.5 Å²	47.5	6%	0.059	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-27.5	179.6	-77.6	-45.5	0	0	0	111.3	I46 G352 R354	I46-D338 WeakPolarHBondContact O-CB 3.31Å; D338-G352 PolarHBondContact N-O 3.4Å; D338-R354 IonicContact OD1-CZ 2.88Å; D338-R354 IonicContact OD1-NE 3.03Å; D338-R354 PolarHBondContact OD1-NE 3Å; D338-R354 VanDerWaalsContact OD1-NE 3.13Å; D338-R354 IonicContact OD1-NH2 3.42Å; D338-R354 PolarHBondContact OD1-NH2 2.88Å; D338-R354 WeakPolarHBondContact OD2-CG 3.48Å; D338-R354 IonicContact OD2-NE 3.89Å; D338-R354 PolarHBondContact OD2-NE 3.23Å
339	C	98.5	Very high	97.1	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.014	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	156.7	177.7	65.1	0	0	0	0	114.4	K296 V337 S351 G352	K296-C339 HydrophobicContact CB-CB 3.6Å; K296-C339 HydrophobicContact CG-CB 4.3Å; K296-C339 WeakPolarHBondContact O-CA 3.37Å; V337-C339 WeakPolarHBondContact CG1-O 3.38Å; C339-S351 WeakPolarHBondContact O-CA 3.16Å; C339-G352 PolarHBondContact N-O 3.1Å; C339-G352 VanDerWaalsContact N-O 3.11Å; C339-G352 PolarHBondContact O-N 3.33Å
340	C	98.6	Very high	97.2	Very high	8 Å²	8	42.2 Å²	42.2	5%	0.054	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	149.1	164.4	57.9	0	0	0	0	111.4	K296 F309 I316 L349 Y350	K296-C340 PolarHBondContact O-N 2.76Å; F309-C340 PolarHBondContact O-SG 2.98Å; I316-C340 HydrophobicContact CG1-CB 4.37Å; I316-C340 HydrophobicContact CG2-CB 4.44Å; C340-L349 HydrophobicContact CB-CD1 4.4Å; C340-L349 HydrophobicContact CB-CD2 4.43Å; C340-L349 HydrophobicContact CB-CG 4.46Å; C340-Y350 CarbonylContact C-O 3.58Å; C340-Y350 WeakPolarHBondContact CA-O 3.21Å
341	V	98.7	Very high	97.3	Very high	15 Å²	15	41.9 Å²	41.9	9%	0.091	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	135.9	-179	63.5	0	0	0	0	110.2	L49 I51 L349 Y350	L49-V341 HydrophobicContact CB-CB 4.2Å; L49-V341 HydrophobicContact CB-CG1 3.56Å; L49-V341 HydrophobicContact CD1-CG1 4.06Å; L49-V341 HydrophobicContact CG-CG1 4.46Å; I51-V341 HydrophobicContact CB-CG2 4.47Å; I51-V341 HydrophobicContact CD1-CG1 3.79Å; I51-V341 HydrophobicContact CD1-CG2 4.04Å; I51-V341 HydrophobicContact CG1-CG1 3.89Å; I51-V341 HydrophobicContact CG1-CG2 3.94Å; V341-L349 WeakPolarHBondContact O-CA 3.5Å; V341-L349 WeakPolarHBondContact O-CD1 3.44Å; V341-Y350 PolarHBondContact N-O 3.41Å; V341-Y350 PolarHBondContact O-N 3.33Å
342	F	98.2	Very high	97.3	Very high	13 Å²	13	34.5 Å²	34.5	6%	0.057	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	132.1	-176.7	177.3	-101.1	0	0	0	110.7	V27 T298 F309 Q347 E348 L349	V27-F342 HydrophobicContact CG2-CE2 4.15Å; V27-F342 HydrophobicContact CG2-CZ 4.32Å; T298-F342 HydrophobicContact CG2-CB 3.75Å; F309-F342 HydrophobicContact CD2-CB 4.48Å; F309-F342 HydrophobicContact CD2-CD2 4.45Å; F309-F342 HydrophobicContact CE2-CB 4.28Å; F309-F342 AromaticContact CE2-CD2 3.54Å; F309-F342 HydrophobicContact CE2-CD2 3.54Å; F309-F342 HydrophobicContact CE2-CE2 4.11Å; F309-F342 HydrophobicContact CE2-CG 4.08Å; F309-F342 AromaticContact CZ-CD2 3.89Å; F309-F342 HydrophobicContact CZ-CD2 3.89Å; F309-F342 HydrophobicContact CZ-CE2 4.14Å; F342-Q347 HydrophobicContact CE2-CB 4.3Å; F342-Q347 HydrophobicContact CZ-CB 4.15Å; F342-Q347 HydrophobicContact CZ-CG 4.17Å; F342-E348 VanDerWaalsContact CD2-O 3.27Å; F342-E348 WeakPolarHBondContact CD2-O 3.29Å; F342-L349 HydrophobicContact CB-CD1 4.04Å; F342-L349 HydrophobicContact CD2-CD1 4.42Å
343	Q	96.3	Very high	97.3	Very high	14 Å²	14	33.5 Å²	33.5	7%	0.065	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	111.7	174.3	171.6	53.2	-83.5	0	0	109.6	I51 G56 N345 Q347 E348	I51-Q343 HydrophobicContact CD1-CB 3.9Å; G56-Q343 VanDerWaalsContact CA-NE2 3.33Å; G56-Q343 PolarHBondContact O-NE2 3.39Å; Q343-N345 PolarHBondContact O-N 2.76Å; Q343-Q347 VanDerWaalsContact O-CA 3.28Å; Q343-Q347 WeakPolarHBondContact O-CA 3.49Å; Q343-Q347 PolarHBondContact O-N 2.69Å; Q343-E348 HydrophobicContact CB-CB 4.12Å; Q343-E348 PolarHBondContact N-O 3.3Å; Q343-E348 PolarHBondContact O-N 3.33Å; Q343-E348 VanDerWaalsContact O-N 3.08Å
344	S	92.5	Very high	97.3	Very high	44 Å²	44	37.9 Å²	37.9	31%	0.308	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-26.8	-172.9	-54.5	0	0	0	0	114.1	C301 Q347	C301-S344 PolarHBondContact SG-OG 3.01Å; S344-Q347 PolarHBondContact O-NE2 2.78Å
345	N	93.7	Very high	97.3	Very high	73 Å²	73	29 Å²	29	39%	0.39	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-46.7	-175.1	-70.8	-9.7	0	0	0	112.1	E55 Q343 Q347	E55-N345 PolarHBondContact O-ND2 3.43Å; Q343-N345 PolarHBondContact O-N 2.76Å; N345-Q347 PolarHBondContact O-NE2 3.38Å
346	F	94.4	Very high	97.3	Very high	104 Å²	104	24.9 Å²	24.9	46%	0.456	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	6.7	-176.5	-58.1	-68	0	0	0	114	R26 E348	R26-F346 PolarHBondContact NH1-O 3.4Å; R26-F346 PolarHBondContact NH2-O 2.98Å; R26-F346 VanDerWaalsContact NH2-O 3.16Å; F346-E348 VanDerWaalsContact C-N 3.32Å; F346-E348 HydrophobicContact CB-CG 3.72Å
347	Q	95.8	Very high	97.3	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.037	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	47	-175.8	-61.3	78.4	69.3	0	0	111.6	S23 R26 V27 F342 Q343 S344 N345	S23-Q347 PolarHBondContact OG-OE1 3.23Å; R26-Q347 HydrophobicContact CB-CB 4.49Å; V27-Q347 HydrophobicContact CG2-CB 3.81Å; V27-Q347 HydrophobicContact CG2-CG 4.02Å; F342-Q347 HydrophobicContact CE2-CB 4.3Å; F342-Q347 HydrophobicContact CZ-CB 4.15Å; F342-Q347 HydrophobicContact CZ-CG 4.17Å; Q343-Q347 VanDerWaalsContact O-CA 3.28Å; Q343-Q347 WeakPolarHBondContact O-CA 3.49Å; Q343-Q347 PolarHBondContact O-N 2.69Å; S344-Q347 PolarHBondContact O-NE2 2.78Å; N345-Q347 PolarHBondContact O-NE2 3.38Å
348	E	96.9	Very high	97.3	Very high	17 Å²	17	24.2 Å²	24.2	8%	0.079	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	164.4	179.4	-56.8	174.6	153.2	0	0	109.5	R36 F342 Q343 F346 W361 V362	R36-E348 IonicContact CZ-OE1 3.83Å; R36-E348 VanDerWaalsContact CZ-OE1 3.3Å; R36-E348 IonicContact CZ-OE2 3.92Å; R36-E348 IonicContact NH1-OE1 3.86Å; R36-E348 PolarHBondContact NH1-OE1 3.29Å; R36-E348 IonicContact NH1-OE2 3.5Å; R36-E348 PolarHBondContact NH1-OE2 3.32Å; R36-E348 IonicContact NH2-OE1 3.32Å; R36-E348 PolarHBondContact NH2-OE1 3.37Å; R36-E348 IonicContact NH2-OE2 2.78Å; F342-E348 VanDerWaalsContact CD2-O 3.27Å; F342-E348 WeakPolarHBondContact CD2-O 3.29Å; Q343-E348 HydrophobicContact CB-CB 4.12Å; Q343-E348 PolarHBondContact N-O 3.3Å; Q343-E348 PolarHBondContact O-N 3.33Å; Q343-E348 VanDerWaalsContact O-N 3.08Å; F346-E348 VanDerWaalsContact C-N 3.32Å; F346-E348 HydrophobicContact CB-CG 3.72Å; E348-W361 WeakPolarHBondContact CA-O 3.36Å; E348-W361 WeakPolarHBondContact CB-O 3.39Å; E348-V362 HydrophobicContact CG-CG1 3.98Å
349	L	98.5	Very high	97.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.1	174.8	-168.9	80.4	0	0	0	108.4	L30 T298 F309 I316 L330 C340 V341 F342 W361	L30-L349 HydrophobicContact CD1-CB 4.08Å; L30-L349 HydrophobicContact CD2-CB 4.45Å; T298-L349 HydrophobicContact CG2-CD1 3.84Å; F309-L349 HydrophobicContact CB-CD1 4.12Å; F309-L349 HydrophobicContact CB-CD2 4.37Å; F309-L349 HydrophobicContact CD1-CD1 4.11Å; F309-L349 HydrophobicContact CD1-CD2 3.9Å; F309-L349 HydrophobicContact CD2-CD1 3.89Å; F309-L349 HydrophobicContact CE1-CD2 4.47Å; F309-L349 HydrophobicContact CE2-CD1 4.27Å; F309-L349 HydrophobicContact CG-CD1 3.78Å; F309-L349 HydrophobicContact CG-CD2 4.22Å; I316-L349 HydrophobicContact CG2-CD2 4.3Å; L330-L349 HydrophobicContact CD1-CD2 3.48Å; L330-L349 VanDerWaalsContact CD1-CD2 3.48Å; C340-L349 HydrophobicContact CB-CD1 4.4Å; C340-L349 HydrophobicContact CB-CD2 4.43Å; C340-L349 HydrophobicContact CB-CG 4.46Å; V341-L349 WeakPolarHBondContact O-CA 3.5Å; V341-L349 WeakPolarHBondContact O-CD1 3.44Å; F342-L349 HydrophobicContact CB-CD1 4.04Å; F342-L349 HydrophobicContact CD2-CD1 4.42Å; L349-W361 HydrophobicContact CB-CB 4.07Å; L349-W361 HydrophobicContact CB-CG 4.29Å; L349-W361 HydrophobicContact CD2-CG 4.5Å; L349-W361 PolarHBondContact N-O 3.4Å; L349-W361 VanDerWaalsContact O-CD1 3.26Å; L349-W361 PolarHBondContact O-N 3.03Å
350	Y	98.7	Very high	97.3	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.1	167.4	-69.4	-95.8	0	0	0	109.1	R36 V38 I51 M59 L73 C340 V341 I358 L359 A360	R36-Y350 PolarHBondContact NH1-OH 3.44Å; R36-Y350 VanDerWaalsContact NH1-OH 3.13Å; V38-Y350 HydrophobicContact CG2-CD1 4.21Å; V38-Y350 HydrophobicContact CG2-CE1 4.11Å; I51-Y350 HydrophobicContact CD1-CD2 3.91Å; I51-Y350 HydrophobicContact CD1-CE2 4.39Å; M59-Y350 HydrophobicContact CE-CD1 4.29Å; M59-Y350 HydrophobicContact SD-CD1 4.26Å; M59-Y350 HydrophobicContact SD-CG 4.05Å; L73-Y350 HydrophobicContact CD1-CE2 3.94Å; L73-Y350 HydrophobicContact CD2-CE1 3.93Å; C340-Y350 CarbonylContact C-O 3.58Å; C340-Y350 WeakPolarHBondContact CA-O 3.21Å; V341-Y350 PolarHBondContact N-O 3.41Å; V341-Y350 PolarHBondContact O-N 3.33Å; Y350-I358 HydrophobicContact CD1-CG2 4.28Å; Y350-L359 WeakPolarHBondContact CA-O 3.26Å; Y350-A360 HydrophobicContact CD1-CB 4.01Å; Y350-A360 HydrophobicContact CE1-CB 3.65Å
351	S	98.8	Very high	97.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136	178.6	57.1	0	0	0	0	112	H333 C339 I358 L359 W361	H333-S351 PolarHBondContact CD2-OG 3.2Å; H333-S351 WeakPolarHBondContact NE2-CB 3.15Å; H333-S351 PolarHBondContact NE2-O 3.4Å; H333-S351 PolarHBondContact NE2-OG 3.18Å; C339-S351 WeakPolarHBondContact O-CA 3.16Å; S351-I358 CarbonylContact O-C 3.46Å; S351-I358 VanDerWaalsContact O-CA 3.24Å; S351-I358 WeakPolarHBondContact O-CA 3.42Å; S351-L359 PolarHBondContact N-O 3.05Å; S351-L359 PolarHBondContact O-N 2.96Å; S351-W361 PolarHBondContact OG-NE1 2.85Å
352	G	98.6	Very high	97.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.8	175.9	0	0	0	0	0	111.2	V337 D338 C339	V337-G352 WeakPolarHBondContact CG1-O 3.31Å; D338-G352 PolarHBondContact N-O 3.4Å; C339-G352 PolarHBondContact N-O 3.1Å; C339-G352 VanDerWaalsContact N-O 3.11Å; C339-G352 PolarHBondContact O-N 3.33Å
353	S	98.2	Very high	97.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	168	-170.4	169.9	0	0	0	0	113	G45 I46 H333 K335 T336 D355 C356 N357	G45-S353 WeakPolarHBondContact CA-O 3.3Å; I46-S353 PolarHBondContact N-O 2.65Å; I46-S353 VanDerWaalsContact N-O 3.14Å; H333-S353 WeakPolarHBondContact CE1-CB 3.45Å; H333-S353 WeakPolarHBondContact ND1-CB 3.49Å; K335-S353 PolarHBondContact O-OG 3Å; K335-S353 VanDerWaalsContact O-OG 3.06Å; T336-S353 PolarHBondContact O-OG 2.88Å; S353-D355 WeakPolarHBondContact CB-OD1 3.36Å; S353-D355 PolarHBondContact O-N 3.42Å; S353-D355 PolarHBondContact OG-N 2.92Å; S353-D355 PolarHBondContact OG-OD1 3.25Å; S353-D355 PolarHBondContact OG-OD2 2.69Å; S353-C356 PolarHBondContact O-N 2.92Å; S353-N357 PolarHBondContact N-O 3.33Å
354	R	97.5	Very high	96.8	Very high	104 Å²	104	25.4 Å²	25.4	39%	0.392	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-6	172.8	-63.4	-171.9	-172.7	163.3	9	114.5	K335 T336 D338 C356	K335-R354 HydrophobicContact CB-CB 4.01Å; K335-R354 HydrophobicContact CD-CB 4.25Å; K335-R354 VanDerWaalsContact CD-O 3.29Å; K335-R354 WeakPolarHBondContact CD-O 3.1Å; T336-R354 PolarHBondContact O-N 3.29Å; D338-R354 IonicContact OD1-CZ 2.88Å; D338-R354 IonicContact OD1-NE 3.03Å; D338-R354 PolarHBondContact OD1-NE 3Å; D338-R354 VanDerWaalsContact OD1-NE 3.13Å; D338-R354 IonicContact OD1-NH2 3.42Å; D338-R354 PolarHBondContact OD1-NH2 2.88Å; D338-R354 WeakPolarHBondContact OD2-CG 3.48Å; D338-R354 IonicContact OD2-NE 3.89Å; D338-R354 PolarHBondContact OD2-NE 3.23Å; R354-C356 PolarHBondContact O-N 2.98Å
355	D	97.5	Very high	95.8	Very high	24 Å²	24	30.8 Å²	30.8	13%	0.128	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	4.6	168.4	59.1	17.9	0	0	0	113	H333 Y334 K335 S353 N357	H333-D355 WeakPolarHBondContact CB-OD2 3.03Å; H333-D355 IonicContact CE1-OD1 3.97Å; H333-D355 IonicContact CE1-OD2 3.24Å; H333-D355 IonicContact CG-OD2 2.65Å; H333-D355 IonicContact ND1-OD1 3.52Å; H333-D355 PolarHBondContact ND1-OD1 3.06Å; H333-D355 IonicContact ND1-OD2 3.97Å; H333-D355 PolarHBondContact ND1-OD2 2.94Å; Y334-D355 PolarHBondContact N-OD2 3.13Å; K335-D355 HydrophobicContact CB-CB 4.07Å; K335-D355 HydrophobicContact CD-CB 4.27Å; K335-D355 HydrophobicContact CG-CB 4.18Å; S353-D355 WeakPolarHBondContact CB-OD1 3.36Å; S353-D355 PolarHBondContact O-N 3.42Å; S353-D355 PolarHBondContact OG-N 2.92Å; S353-D355 PolarHBondContact OG-OD1 3.25Å; S353-D355 PolarHBondContact OG-OD2 2.69Å; D355-N357 PolarHBondContact O-N 3.32Å; D355-N357 WeakPolarHBondContact OD1-CB 3.46Å; D355-N357 PolarHBondContact OD1-N 3.03Å
356	C	97.9	Very high	94.2	Very high	29 Å²	29	36.8 Å²	36.8	20%	0.196	17%	0.174	C	C	.	.	S	Bend	trans	61.3	26.2	-179.6	-47.6	0	0	0	0	111.7	G43 G44 I46 S353 R354	G43-C356 PolarHBondContact O-SG 3.27Å; G44-C356 PolarHBondContact O-SG 3.5Å; G44-C356 VanDerWaalsContact O-SG 3.41Å; I46-C356 VanDerWaalsContact CD1-C 3.4Å; S353-C356 PolarHBondContact O-N 2.92Å; R354-C356 PolarHBondContact O-N 2.98Å
357	N	98.1	Very high	92.1	Very high	37 Å²	37	39 Å²	39	20%	0.198	19%	0.186	C	C	.	.			trans	-122.5	148.1	178.3	-152.5	-0.4	0	0	0	111.2	H333 S353 D355	H333-N357 PolarHBondContact CE1-O 3.47Å; S353-N357 PolarHBondContact N-O 3.33Å; D355-N357 PolarHBondContact O-N 3.32Å; D355-N357 WeakPolarHBondContact OD1-CB 3.46Å; D355-N357 PolarHBondContact OD1-N 3.03Å
358	I	98.7	Very high	89.4	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.026	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.3	169.8	-58.8	165.3	0	0	0	106.6	V38 I46 L49 M59 Y71 Y350 S351	V38-I358 HydrophobicContact CB-CB 3.94Å; V38-I358 HydrophobicContact CB-CG2 4.25Å; V38-I358 HydrophobicContact CG1-CB 3.9Å; V38-I358 HydrophobicContact CG1-CD1 4.08Å; V38-I358 HydrophobicContact CG1-CG2 4.2Å; V38-I358 HydrophobicContact CG2-CB 4.2Å; V38-I358 HydrophobicContact CG2-CG2 3.96Å; I46-I358 HydrophobicContact CD1-CG1 4.09Å; I46-I358 HydrophobicContact CG1-CD1 4.26Å; I46-I358 HydrophobicContact CG1-CG1 3.84Å; I46-I358 HydrophobicContact CG2-CG1 4.45Å; L49-I358 HydrophobicContact CD1-CG2 4.01Å; L49-I358 HydrophobicContact CD2-CD1 3.67Å; L49-I358 HydrophobicContact CD2-CG1 4.14Å; L49-I358 HydrophobicContact CD2-CG2 4.44Å; M59-I358 HydrophobicContact CE-CD1 4.34Å; M59-I358 HydrophobicContact CE-CG2 4.13Å; Y71-I358 HydrophobicContact CE2-CD1 3.72Å; Y350-I358 HydrophobicContact CD1-CG2 4.28Å; S351-I358 CarbonylContact O-C 3.46Å; S351-I358 VanDerWaalsContact O-CA 3.24Å; S351-I358 WeakPolarHBondContact O-CA 3.42Å
359	L	98.6	Very high	86.8	Confident	25 Å²	25	48.6 Å²	48.6	13%	0.131	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	141.8	178.2	-65.2	180	0	0	0	110.6	L32 H333 Y350 S351 W361	L32-L359 HydrophobicContact CD1-CB 3.88Å; L32-L359 HydrophobicContact CD1-CD1 3.9Å; L32-L359 HydrophobicContact CD1-CD2 4.33Å; L32-L359 HydrophobicContact CD1-CG 4.25Å; H333-L359 VanDerWaalsContact CE1-CG 3.5Å; H333-L359 WeakPolarHBondContact CE1-CG 3.24Å; Y350-L359 WeakPolarHBondContact CA-O 3.26Å; S351-L359 PolarHBondContact N-O 3.05Å; S351-L359 PolarHBondContact O-N 2.96Å; L359-W361 HydrophobicContact CB-CZ2 4.35Å; L359-W361 HydrophobicContact CD1-CZ2 4.37Å
360	A	98.3	Very high	84.2	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.008	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	139.1	173.9	0	0	0	0	0	110.5	N33 R36 Y350	N33-A360 HydrophobicContact CB-CB 4.4Å; N33-A360 WeakPolarHBondContact CB-O 3.49Å; N33-A360 PolarHBondContact N-O 2.94Å; R36-A360 HydrophobicContact CB-CB 4.16Å; R36-A360 HydrophobicContact CG-CB 4.1Å; Y350-A360 HydrophobicContact CD1-CB 4.01Å; Y350-A360 HydrophobicContact CE1-CB 3.65Å
361	W	98.3	Very high	81.3	Confident	1 Å²	1	60.1 Å²	60.1	0%	0.004	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.4	177.8	-42.9	77.7	0	0	0	109.1	L30 E31 L32 I316 L330 K331 E348 L349 S351 L359	L30-W361 HydrophobicContact CD2-CB 3.35Å; L30-W361 HydrophobicContact CD2-CG 4.16Å; L30-W361 HydrophobicContact CG-CB 4.04Å; E31-W361 CarbonylContact O-C 3.45Å; E31-W361 WeakPolarHBondContact O-CA 3.22Å; E31-W361 WeakPolarHBondContact O-CB 3.23Å; L32-W361 VanDerWaalsContact CA-CE3 3.48Å; L32-W361 HydrophobicContact CB-CE3 3.8Å; L32-W361 HydrophobicContact CB-CH2 4.49Å; L32-W361 HydrophobicContact CB-CZ3 3.66Å; L32-W361 HydrophobicContact CD1-CD2 4.32Å; L32-W361 HydrophobicContact CD1-CE3 4.14Å; L32-W361 HydrophobicContact CD1-CH2 4.18Å; L32-W361 HydrophobicContact CD1-CZ2 4.35Å; L32-W361 HydrophobicContact CD1-CZ3 4.06Å; L32-W361 HydrophobicContact CG-CZ3 4.4Å; I316-W361 HydrophobicContact CD1-CH2 4.21Å; I316-W361 HydrophobicContact CD1-CZ2 3.43Å; I316-W361 VanDerWaalsContact CD1-CZ2 3.43Å; L330-W361 HydrophobicContact CB-CD2 4.2Å; L330-W361 HydrophobicContact CB-CE3 3.73Å; L330-W361 HydrophobicContact CB-CH2 3.83Å; L330-W361 HydrophobicContact CB-CZ2 4.28Å; L330-W361 HydrophobicContact CB-CZ3 3.55Å; L330-W361 HydrophobicContact CD1-CD2 4.14Å; L330-W361 HydrophobicContact CD1-CE3 4.24Å; L330-W361 HydrophobicContact CD1-CG 4.33Å; L330-W361 HydrophobicContact CD2-CE3 4.25Å; L330-W361 HydrophobicContact CG-CE3 4.29Å; K331-W361 VanDerWaalsContact C-CH2 3.47Å; K331-W361 WeakPolarHBondContact O-CZ3 3.49Å; E348-W361 WeakPolarHBondContact CA-O 3.36Å; E348-W361 WeakPolarHBondContact CB-O 3.39Å; L349-W361 HydrophobicContact CB-CB 4.07Å; L349-W361 HydrophobicContact CB-CG 4.29Å; L349-W361 HydrophobicContact CD2-CG 4.5Å; L349-W361 PolarHBondContact N-O 3.4Å; L349-W361 VanDerWaalsContact O-CD1 3.26Å; L349-W361 PolarHBondContact O-N 3.03Å; S351-W361 PolarHBondContact OG-NE1 2.85Å; L359-W361 HydrophobicContact CB-CZ2 4.35Å; L359-W361 HydrophobicContact CD1-CZ2 4.37Å
362	V	96.8	Very high	78.3	Confident	22 Å²	22	66 Å²	66	13%	0.133	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.7	-175.9	-58.1	0	0	0	0	110.2	E31 N33 E348 S364	E31-V362 PolarHBondContact N-O 2.81Å; E31-V362 PolarHBondContact O-N 3.32Å; N33-V362 HydrophobicContact CB-CB 4.33Å; N33-V362 HydrophobicContact CB-CG1 3.93Å; N33-V362 HydrophobicContact CB-CG2 3.67Å; N33-V362 VanDerWaalsContact ND2-CG1 3.26Å; N33-V362 WeakPolarHBondContact ND2-CG1 3.48Å; N33-V362 WeakPolarHBondContact ND2-CG2 3.46Å; E348-V362 HydrophobicContact CG-CG1 3.98Å; V362-S364 PolarHBondContact O-N 3.38Å
363	P	95.3	Very high	75.2	Confident	13 Å²	13	72.8 Å²	72.8	8%	0.084	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	128	173.8	27.4	-35.4	0	0	0	111.2	R26 G29	R26-P363 HydrophobicContact CB-CB 3.67Å; R26-P363 HydrophobicContact CB-CG 4.04Å; R26-P363 HydrophobicContact CG-CB 4.27Å; R26-P363 HydrophobicContact CG-CG 4.48Å; R26-P363 VanDerWaalsContact O-CB 3.24Å; R26-P363 WeakPolarHBondContact O-CB 3.42Å; G29-P363 WeakPolarHBondContact O-CA 3.3Å
364	S	89.8	Confident	72.1	Confident	26 Å²	26	81.2 Å²	81.2	18%	0.182	42%	0.422	C	S	.	.			trans	-70	144.9	173	75.1	0	0	0	0	110.7	G29 E31 V362 Y366	G29-S364 PolarHBondContact O-N 2.9Å; G29-S364 PolarHBondContact O-OG 2.82Å; E31-S364 WeakPolarHBondContact OE1-CB 3.12Å; V362-S364 PolarHBondContact O-N 3.38Å; S364-Y366 VanDerWaalsContact C-N 3.33Å; S364-Y366 PolarHBondContact OG-O 3.22Å
365	L	71.9	Confident	68.9	Low	156 Å²	156	81.7 Å²	81.7	82%	0.817	44%	0.437	S	S	*	.	S	Bend	trans	-83.6	-12.2	176.9	-74.7	171.8	0	0	0	112.7
366	Y	59	Low	65.8	Low	199 Å²	199	86 Å²	86	78%	0.78	46%	0.464	S	S	*	.			trans	-107.7	119.2	-174.2	-104.1	-97.7	0	0	0	110.6	S364	S364-Y366 VanDerWaalsContact C-N 3.33Å; S364-Y366 PolarHBondContact OG-O 3.22Å
367	E	51	Low	62.7	Low	151 Å²	151	90.5 Å²	90.5	71%	0.706	49%	0.491	S	S	*	.			trans	-56.6	126.4	154.8	-78.3	172.8	177.8	0	0	106.6	V369	E367-V369 PolarHBondContact O-N 2.95Å
368	P	38.9	Very low	59.7	Low	119 Å²	119	98.5 Å²	98.5	77%	0.773	52%	0.524	S	S	*	.			trans	-61.4	111.9	163.6	26	-27.8	0	0	0	105.2
369	V	43.3	Very low	56.6	Low	107 Å²	107	102.5 Å²	102.5	65%	0.648	55%	0.552	S	S	*	*			trans	-50.8	128.1	156	-173.7	0	0	0	0	104.3	E367 D371	E367-V369 PolarHBondContact O-N 2.95Å; V369-D371 PolarHBondContact O-N 3.18Å
370	P	42.8	Very low	53.6	Low	95 Å²	95	110.1 Å²	110.1	62%	0.617	59%	0.587	S	S	*	*			trans	-51.9	132.8	170.4	21.8	-29.3	0	0	0	106.4	D372	P370-D372 PolarHBondContact O-N 2.73Å
371	D	39	Very low	50.5	Low	148 Å²	148	117.8 Å²	117.8	79%	0.791	63%	0.627	S	S	*	*			trans	-53.2	101.7	166.2	-73.5	-37.6	0	0	0	105.7	V369 D373	V369-D371 PolarHBondContact O-N 3.18Å; D371-D373 PolarHBondContact O-N 2.81Å
372	D	34.4	Very low	47.5	Very low	124 Å²	124	123.8 Å²	123.8	66%	0.663	66%	0.66	S	S	*	*			trans	-70.6	60.1	164.1	-87.6	-30.1	0	0	0	106.8	P370	P370-D372 PolarHBondContact O-N 2.73Å
373	D	33.4	Very low	44.8	Very low	143 Å²	143	128 Å²	128	77%	0.765	69%	0.687	S	S	*	*			trans	-112.5	65.8	163.9	-89.6	-27.3	0	0	0	106.8	D371	D371-D373 PolarHBondContact O-N 2.81Å
374	E	33.5	Very low	42.2	Very low	176 Å²	176	130.4 Å²	130.4	82%	0.822	71%	0.708	S	S	*	*			trans	179.9	46.8	139.1	-99.8	-175.2	-166.7	0	0	111	T376	E374-T376 PolarHBondContact O-N 2.98Å
375	T	31.1	Very low	39.9	Very low	115 Å²	115	138.7 Å²	138.7	71%	0.706	74%	0.741	S	S	*	*			trans	-71.8	85.1	138.1	52.1	0	0	0	0	106.1	T377	T375-T377 PolarHBondContact O-N 2.84Å
376	T	32.7	Very low	38.2	Very low	114 Å²	114	139.5 Å²	139.5	70%	0.699	74%	0.741	S	S	*	*			trans	-45.1	105.7	148	24.9	0	0	0	0	105.4	E374 K378	E374-T376 PolarHBondContact O-N 2.98Å; T376-K378 VanDerWaalsContact C-N 3.33Å; T376-K378 PolarHBondContact O-N 2.92Å
377	T	32.1	Very low	37.7	Very low	123 Å²	123	137.8 Å²	137.8	76%	0.755	75%	0.745	S	S	*	*			trans	-41.7	114.6	148.9	34.2	0	0	0	0	104.4	T375 S379	T375-T377 PolarHBondContact O-N 2.84Å; T377-S379 PolarHBondContact O-N 2.66Å
378	K	34.4	Very low	37.4	Very low	205 Å²	205	134.4 Å²	134.4	89%	0.891	74%	0.743	S	S	*	*			trans	-55	86	152.3	-79.3	177.9	175.3	175.7	0	104	T376 Q380	T376-K378 VanDerWaalsContact C-N 3.33Å; T376-K378 PolarHBondContact O-N 2.92Å; K378-Q380 VanDerWaalsContact C-N 3.27Å; K378-Q380 PolarHBondContact O-N 2.95Å
379	S	34.1	Very low	37.5	Very low	89 Å²	89	141.8 Å²	141.8	62%	0.622	76%	0.756	S	S	*	*			trans	-51.4	111.6	153.8	54.3	0	0	0	0	102.5	T377 L381	T377-S379 PolarHBondContact O-N 2.66Å; S379-L381 PolarHBondContact O-N 2.83Å
380	Q	34.8	Very low	37.6	Very low	185 Å²	185	141.9 Å²	141.9	86%	0.864	76%	0.761	S	S	*	*			trans	-46.4	106.1	151.9	-71.7	174.2	-24	0	0	104.1	K378 N382	K378-Q380 VanDerWaalsContact C-N 3.27Å; K378-Q380 PolarHBondContact O-N 2.95Å; Q380-N382 PolarHBondContact O-N 2.79Å
381	L	33.4	Very low	37.9	Very low	162 Å²	162	142.6 Å²	142.6	85%	0.848	77%	0.768	S	S	*	*			trans	-51.9	99.5	162.9	-96.2	127.8	0	0	0	104.5	S379 P383	S379-L381 PolarHBondContact O-N 2.83Å; L381-P383 WeakPolarHBondContact O-CD 3.35Å
382	N	36.7	Very low	38.5	Very low	128 Å²	128	140.8 Å²	140.8	68%	0.684	77%	0.768	S	S	*	*			trans	-65.5	117.2	170.7	-157.7	8.7	0	0	0	104.4	Q380 A384	Q380-N382 PolarHBondContact O-N 2.79Å; N382-A384 PolarHBondContact O-N 2.78Å
383	P	39.3	Very low	38.8	Very low	109 Å²	109	143 Å²	143	71%	0.708	78%	0.779	S	S	*	*	S	Bend	trans	-76	41.9	-175.4	31.9	-34.2	0	0	0	111.8	L381	L381-P383 WeakPolarHBondContact O-CD 3.35Å
384	A	41.7	Very low	39.5	Very low	64 Å²	64	145.5 Å²	145.5	53%	0.529	79%	0.786	S	S	.	*	S	Bend	trans	-108.2	11	-176.7	0	0	0	0	0	113.3	N382	N382-A384 PolarHBondContact O-N 2.78Å
385	F	40.9	Very low	40.1	Very low	201 Å²	201	146.8 Å²	146.8	88%	0.882	79%	0.792	S	S	*	*			trans	-136.9	30.6	173.9	-71.4	-75.7	0	0	0	112.5	D387	F385-D387 PolarHBondContact O-N 3.48Å
386	E	36.2	Very low	41	Very low	172 Å²	172	148.6 Å²	148.6	80%	0.804	83%	0.834	S	S	*	*			trans	-91.3	84.1	159.6	-81.4	-173.1	163.9	0	0	108.8
387	D	49	Very low	41.4	Very low	163 Å²	163	150.4 Å²	150.4	87%	0.872	84%	0.841	S	S	*	*			trans	-154.9	135.2	159.1	-80	-37.8	0	0	0	104.7	F385	F385-D387 PolarHBondContact O-N 3.48Å
388	A	44.3	Very low	41.9	Very low	80 Å²	80	151.8 Å²	151.8	66%	0.661	85%	0.846	S	S	*	*			cis	-173.2	108.8	-9.3	0	0	0	0	0	103.6
389	W	40.6	Very low	42.3	Very low	275 Å²	275	148.8 Å²	148.8	100%	1.042	84%	0.843	S	S	*	*			trans	-97	84.4	161.7	-78	75.8	0	0	0	108
390	S	45.7	Very low	42.8	Very low	108 Å²	108	152.4 Å²	152.4	76%	0.755	86%	0.856	S	S	*	*			trans	-162.9	103	158.9	70.3	0	0	0	0	112.7
391	S	48.2	Very low	43.3	Very low	110 Å²	110	150.3 Å²	150.3	77%	0.769	86%	0.855	S	S	*	*			trans	-174	89.7	143.9	58.5	0	0	0	0	107
392	S	52.4	Low	44	Very low	111 Å²	111	149.5 Å²	149.5	78%	0.776	86%	0.856	S	S	*	*				76.1	97.4	88.9	66.3	0	0	0	0	112.5
393	D	39.9	Very low	44.5	Very low	170 Å²	170	151.1 Å²	151.1	91%	0.909	87%	0.868	S	S	*	*			trans	-67	118.1	149.7	-70.1	-44.9	0	0	0	108.1
394	E	48.1	Very low	44.9	Very low	195 Å²	195	154.3 Å²	154.3	91%	0.911	88%	0.88	S	S	*	*			trans	-157.3	142.5	153.8	-113.8	179.3	-159.4	0	0	109.7
395	E	47.3	Very low	45.2	Very low	203 Å²	203	161.8 Å²	161.8	95%	0.949	91%	0.91	S	S	*	*			trans	-70.7	154.3	-159.5	-60.2	172.6	145.1	0	0	115.9
396	G	49.3	Very low	45.5	Very low	154 Å²	154	158.3 Å²	158.3	100%	1.588	91%	0.912	S	S	*	*			trans	-163.5	0	165.3	0	0	0	0	0	111.8

Retrieved 396 of 396 residues in 83.4 ms (Link to these results)

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