A0A096NUT7_PAPAN Loading...

Kelch domain-containing protein 1

Substrate-recognition component of a Cul5-RING (CRL5) E3 ubiquitin-protein ligase complex of the DesCEND (destruction via C-end degrons) pathway, which recognizes a C-degron located at the extreme C terminus of target proteins, leading to their ubiquitination and degradation. The C-degron recognized by the DesCEND pathway is usually a motif of less than ten residues and can be present in full-length proteins, truncated proteins or proteolytically cleaved forms. The CRL5(KLHDC1) complex mediates ubiquitination and degradation of truncated SELENOS selenoprotein produced by failed UGA/Sec decoding, which ends with a glycine.

AlphaFold DB , UniProt , Accession A0A096NUT7, Species PAPAN (Papio anubis, Olive baboon), Gene KLHDC1, Length 406 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	29.2	Very low	61.3	Low	248 Å²	248	105.9 Å²	105.9	100%	1.222	59%	0.591	S	S	*	*				0	91.2	0	-76.5	-177.2	-85.1	0	0	106.6	D3	M1-D3 PolarHBondContact O-N 2.86Å
2	A	31	Very low	64.2	Low	105 Å²	105	104.9 Å²	104.9	87%	0.868	58%	0.578	S	S	*	*			trans	-80.2	113	175.3	0	0	0	0	0	106.4	S4	A2-S4 PolarHBondContact O-N 2.95Å
3	D	35.3	Very low	66.8	Low	147 Å²	147	97.1 Å²	97.1	79%	0.786	53%	0.534	S	S	*	.			trans	-47.3	135.7	166	-110.6	-27.8	0	0	0	108.3	M1 Q5	M1-D3 PolarHBondContact O-N 2.86Å; D3-Q5 PolarHBondContact O-N 3.11Å
4	S	39.9	Very low	69	Low	107 Å²	107	90.1 Å²	90.1	75%	0.748	50%	0.496	S	S	*	.			trans	-63.9	77	168.4	56.5	0	0	0	0	108.4	A2 L6	A2-S4 PolarHBondContact O-N 2.95Å; S4-L6 PolarHBondContact O-N 3.11Å
5	Q	47.8	Very low	71	Confident	132 Å²	132	84.3 Å²	84.3	62%	0.617	47%	0.465	S	S	*	.			trans	-60.7	106.2	164.3	-85.5	-179.1	-15.3	0	0	105.4	D3 F7	D3-Q5 PolarHBondContact O-N 3.11Å; Q5-F7 PolarHBondContact O-N 2.92Å
6	L	57.2	Low	72.7	Confident	163 Å²	163	79.7 Å²	79.7	85%	0.853	44%	0.439	S	S	*	.			trans	-55	109.6	163.9	-100.8	96.3	0	0	0	106	S4 C8	S4-L6 PolarHBondContact O-N 3.11Å; L6-C8 PolarHBondContact O-N 3.06Å
7	F	73.6	Confident	74.2	Confident	52 Å²	52	75.4 Å²	75.4	23%	0.228	42%	0.416	C	S	.	.			trans	-67.6	92.3	169.7	-65.7	-72.7	0	0	0	106.6	Q5 L55 A382 H385	Q5-F7 PolarHBondContact O-N 2.92Å; F7-L55 HydrophobicContact CD1-CD2 3.47Å; F7-L55 VanDerWaalsContact CD1-CD2 3.47Å; F7-L55 HydrophobicContact CE1-CD2 3.69Å; F7-A382 HydrophobicContact CD1-CB 3.62Å; F7-A382 HydrophobicContact CE1-CB 3.51Å; F7-A382 HydrophobicContact CG-CB 4.28Å; F7-A382 HydrophobicContact CZ-CB 4.07Å; F7-H385 HydrophobicContact CD2-CB 3.94Å; F7-H385 AromaticContact CD2-CD2 3.38Å; F7-H385 WeakPolarHBondContact CD2-CD2 3.38Å; F7-H385 AromaticContact CD2-CG 3.7Å; F7-H385 HydrophobicContact CE2-CB 3.85Å; F7-H385 AromaticContact CE2-CG 3.91Å
8	C	84.1	Confident	75.5	Confident	61 Å²	61	72 Å²	72	41%	0.412	40%	0.399	S	S	.	.			trans	-58.9	145.7	173.1	-165.1	0	0	0	0	108.8	L6 W47 W56	L6-C8 PolarHBondContact O-N 3.06Å; C8-W47 WeakPolarHBondContact SG-CH2 3.39Å; C8-W47 WeakPolarHBondContact SG-CZ3 3.29Å; C8-W56 WeakPolarHBondContact O-CB 3.49Å
9	V	87.9	Confident	76.7	Confident	45 Å²	45	68.7 Å²	68.7	27%	0.273	38%	0.382	S	S	.	.			trans	-136.5	138.3	177.2	-175.2	0	0	0	0	106.9	W47	V9-W47 VanDerWaalsContact C-CZ3 3.48Å; V9-W47 WeakPolarHBondContact O-CH2 3.31Å; V9-W47 WeakPolarHBondContact O-CZ3 3.47Å
10	A	93.8	Very high	77.7	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-57.4	140.5	173.8	0	0	0	0	0	110.2	W47 W56 F315 N331	A10-W47 HydrophobicContact CB-CB 3.94Å; A10-W47 HydrophobicContact CB-CD2 3.56Å; A10-W47 HydrophobicContact CB-CE3 3.59Å; A10-W47 HydrophobicContact CB-CG 3.74Å; A10-W47 HydrophobicContact CB-CZ3 4.24Å; A10-W56 HydrophobicContact CB-CD2 4.04Å; A10-W56 HydrophobicContact CB-CE3 3.7Å; A10-W56 HydrophobicContact CB-CH2 4.24Å; A10-W56 HydrophobicContact CB-CZ3 3.8Å; A10-F315 HydrophobicContact CB-CE1 4.38Å; A10-F315 HydrophobicContact CB-CE2 4.21Å; A10-F315 HydrophobicContact CB-CZ 3.6Å; A10-N331 WeakPolarHBondContact O-CB 3.41Å
11	E	94.2	Very high	78.6	Confident	105 Å²	105	64.9 Å²	64.9	49%	0.491	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-62.9	157.8	179.5	-60.6	-176.2	145	0	0	112.4	R13 L41	E11-R13 PolarHBondContact O-NE 3Å; E11-L41 HydrophobicContact CB-CD2 3.96Å
12	E	96.7	Very high	81.6	Confident	94 Å²	94	55.9 Å²	55.9	44%	0.439	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-60.3	145	174.3	57.8	-132.6	-164.8	0	0	111	V32 H329 C330 N331	E12-V32 HydrophobicContact CB-CG1 4.43Å; E12-V32 HydrophobicContact CG-CG1 3.68Å; E12-V32 WeakPolarHBondContact O-CG1 3.39Å; E12-H329 HydrophobicContact CB-CB 3.91Å; E12-H329 HydrophobicContact CG-CB 4.05Å; E12-C330 VanDerWaalsContact CA-O 3.27Å; E12-C330 WeakPolarHBondContact CA-O 3.43Å; E12-N331 HydrophobicContact CB-CB 3.9Å
13	R	97.8	Very high	84.6	Confident	3 Å²	3	51.9 Å²	51.9	1%	0.011	30%	0.296	C	S	.	.			trans	-168.4	141.4	-175.6	54.6	-172.6	85.6	-159.2	1.3	113.1	E11 H16 G29 Y31 L41 F315 G317 C330	E11-R13 PolarHBondContact O-NE 3Å; R13-H16 HydrophobicContact CB-CB 4.49Å; R13-H16 HydrophobicContact CG-CB 4.06Å; R13-H16 PolarHBondContact O-ND1 3.33Å; R13-G29 WeakPolarHBondContact CD-O 3.42Å; R13-G29 PolarHBondContact NH1-O 3.09Å; R13-Y31 WeakPolarHBondContact CA-O 3.43Å; R13-L41 HydrophobicContact CB-CD1 3.61Å; R13-L41 HydrophobicContact CB-CD2 4.3Å; R13-F315 HydrophobicContact CG-CE1 3.89Å; R13-G317 PolarHBondContact O-N 3.34Å; R13-C330 PolarHBondContact N-O 3.32Å
14	S	98.1	Very high	87.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-111.5	155.5	165.5	-68.5	0	0	0	0	111	H16 G30 Y31 S318 H329	S14-H16 PolarHBondContact O-N 3.48Å; S14-H16 VanDerWaalsContact O-N 3.14Å; S14-G30 CarbonylContact O-C 3.57Å; S14-G30 WeakPolarHBondContact O-CA 3.36Å; S14-Y31 PolarHBondContact N-O 3.03Å; S14-Y31 WeakPolarHBondContact O-CD1 3.29Å; S14-Y31 PolarHBondContact O-N 2.65Å; S14-S318 PolarHBondContact OG-N 2.94Å; S14-H329 WeakPolarHBondContact CB-ND1 3.37Å; S14-H329 PolarHBondContact OG-CE1 2.85Å; S14-H329 PolarHBondContact OG-ND1 3.01Å
15	G	97.8	Very high	90.3	Very high	3 Å²	3	43.4 Å²	43.4	3%	0.031	24%	0.238	C	C	.	.	S	Bend	trans	64.5	21.1	174.2	0	0	0	0	0	116	G71 W301	G15-G71 PolarHBondContact O-N 3.41Å; G15-W301 VanDerWaalsContact CA-CD1 3.42Å; G15-W301 PolarHBondContact N-O 3.05Å
16	H	98.4	Very high	92.7	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.046	21%	0.211	C	C	.	.			trans	-78.9	166.4	173.4	63.6	-83.1	0	0	0	111.5	R13 S14 W28 G29 T303 F315	R13-H16 HydrophobicContact CB-CB 4.49Å; R13-H16 HydrophobicContact CG-CB 4.06Å; R13-H16 PolarHBondContact O-ND1 3.33Å; S14-H16 PolarHBondContact O-N 3.48Å; S14-H16 VanDerWaalsContact O-N 3.14Å; H16-W28 WeakPolarHBondContact CB-O 3.48Å; H16-G29 VanDerWaalsContact CB-O 3.22Å; H16-G29 WeakPolarHBondContact CB-O 3.5Å; H16-T303 VanDerWaalsContact CD2-CG2 3.46Å; H16-T303 WeakPolarHBondContact CD2-CG2 3.43Å; H16-T303 VanDerWaalsContact NE2-CG2 3.26Å; H16-T303 WeakPolarHBondContact NE2-CG2 3.18Å; H16-T303 PolarHBondContact NE2-OG1 3.4Å; H16-T303 VanDerWaalsContact O-CG2 3.25Å; H16-T303 WeakPolarHBondContact O-CG2 3.28Å; H16-F315 AromaticContact CE1-CD1 3.99Å; H16-F315 PolarHBondContact CE1-O 3.4Å; H16-F315 AromaticContact NE2-CD1 3.5Å; H16-F315 WeakPolarHBondContact NE2-CD1 3.31Å; H16-F315 PolarHBondContact NE2-O 2.89Å
17	C	98.1	Very high	94.6	Very high	6 Å²	6	29.8 Å²	29.8	4%	0.041	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	140.9	169.3	-68.7	0	0	0	0	109.9	V27 W28 S72 G74 I83	C17-V27 WeakPolarHBondContact O-CA 3.24Å; C17-W28 PolarHBondContact N-O 3.17Å; C17-W28 PolarHBondContact O-N 3.42Å; C17-S72 VanDerWaalsContact SG-CB 3.55Å; C17-S72 PolarHBondContact SG-O 2.92Å; C17-S72 VanDerWaalsContact SG-O 3.35Å; C17-G74 PolarHBondContact SG-N 3.15Å; C17-G74 VanDerWaalsContact SG-N 3.4Å; C17-I83 HydrophobicContact CB-CG2 4.49Å
18	A	98.2	Very high	95.8	Very high	15 Å²	15	27.4 Å²	27.4	12%	0.124	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	142.9	168.2	0	0	0	0	0	111.6	L25 Y26 V27 T303 C305	A18-L25 HydrophobicContact CB-CD1 3.99Å; A18-Y26 CarbonylContact C-O 3.49Å; A18-Y26 WeakPolarHBondContact CA-O 3.45Å; A18-Y26 WeakPolarHBondContact CB-O 3.31Å; A18-V27 HydrophobicContact CB-CG2 3.97Å; A18-T303 HydrophobicContact CB-CG2 3.82Å; A18-T303 WeakPolarHBondContact CB-OG1 3.28Å; A18-C305 PolarHBondContact O-SG 3.41Å
19	V	97.9	Very high	96.5	Very high	10 Å²	10	24.5 Å²	24.5	6%	0.061	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	151.4	177.9	-63.8	0	0	0	0	110.4	Y26 C76 L81 L101	V19-Y26 PolarHBondContact N-O 3.2Å; V19-Y26 PolarHBondContact O-N 3.27Å; V19-C76 HydrophobicContact CB-CB 3.73Å; V19-C76 HydrophobicContact CG1-CB 3.88Å; V19-C76 HydrophobicContact CG2-CB 4.02Å; V19-L81 HydrophobicContact CG1-CD1 3.83Å; V19-L81 HydrophobicContact CG2-CB 4.31Å; V19-L81 HydrophobicContact CG2-CD1 3.94Å; V19-L101 HydrophobicContact CG2-CD1 3.89Å
20	V	97.4	Very high	96.9	Very high	37 Å²	37	22.4 Å²	22.4	22%	0.224	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.3	170.4	167.5	0	0	0	0	109.3	F24 L25 I51 C305 M313	V20-F24 WeakPolarHBondContact CA-O 3.47Å; V20-L25 HydrophobicContact CG2-CB 4.07Å; V20-L25 HydrophobicContact CG2-CD1 3.85Å; V20-I51 HydrophobicContact CG1-CD1 4.18Å; V20-I51 HydrophobicContact CG2-CD1 4.5Å; V20-C305 HydrophobicContact CB-CB 4.2Å; V20-C305 HydrophobicContact CG2-CB 3.43Å; V20-C305 VanDerWaalsContact CG2-CB 3.43Å; V20-M313 HydrophobicContact CG2-SD 4.43Å
21	D	95.9	Very high	97.1	Very high	20 Å²	20	22.6 Å²	22.6	11%	0.107	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	122.5	165.8	-172.5	67.3	0	0	0	109.3	N23 F24 Y26 L101 R102	D21-N23 PolarHBondContact O-N 3.04Å; D21-N23 VanDerWaalsContact O-N 3.1Å; D21-F24 PolarHBondContact N-O 3.14Å; D21-F24 VanDerWaalsContact N-O 3.14Å; D21-F24 PolarHBondContact O-N 3.43Å; D21-Y26 HydrophobicContact CB-CE2 4.05Å; D21-L101 HydrophobicContact CB-CD1 4.06Å; D21-R102 IonicContact OD1-CZ 2.71Å; D21-R102 IonicContact OD1-NE 2.75Å; D21-R102 PolarHBondContact OD1-NE 2.91Å; D21-R102 IonicContact OD1-NH2 3.52Å; D21-R102 PolarHBondContact OD1-NH2 3.1Å; D21-R102 VanDerWaalsContact OD2-CG 3.28Å; D21-R102 WeakPolarHBondContact OD2-CG 3.42Å; D21-R102 IonicContact OD2-CZ 2.64Å; D21-R102 IonicContact OD2-NE 3.57Å; D21-R102 PolarHBondContact OD2-NE 3.26Å; D21-R102 IonicContact OD2-NH2 3.62Å
22	G	93.3	Very high	97.2	Very high	59 Å²	59	18.5 Å²	18.5	61%	0.608	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	-110.4	-176.9	0	0	0	0	0	113.2
23	N	93.3	Very high	97	Very high	21 Å²	21	15.1 Å²	15.1	11%	0.112	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	3.2	-175.3	-175.9	57.5	0	0	0	113.4	D21 D50 I51 D52 K308 K375	D21-N23 PolarHBondContact O-N 3.04Å; D21-N23 VanDerWaalsContact O-N 3.1Å; N23-D50 PolarHBondContact ND2-OD1 3.13Å; N23-I51 WeakPolarHBondContact O-CB 3.41Å; N23-I51 WeakPolarHBondContact O-CG1 3.38Å; N23-I51 PolarHBondContact O-N 3.33Å; N23-D52 PolarHBondContact ND2-OD2 3.46Å; N23-D52 PolarHBondContact OD1-OD1 3.08Å; N23-D52 PolarHBondContact OD1-OD2 2.85Å; N23-D52 VanDerWaalsContact OD1-OD2 3.06Å; N23-K308 WeakPolarHBondContact OD1-CE 3.27Å; N23-K308 PolarHBondContact OD1-NZ 2.8Å; N23-K375 PolarHBondContact ND2-NZ 2.94Å
24	F	96.1	Very high	96.6	Very high	74 Å²	74	19.4 Å²	19.4	33%	0.325	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.6	-173.2	-62.6	-79	0	0	0	110.4	V20 D21 Y26 Y49 D50	V20-F24 WeakPolarHBondContact CA-O 3.47Å; D21-F24 PolarHBondContact N-O 3.14Å; D21-F24 VanDerWaalsContact N-O 3.14Å; D21-F24 PolarHBondContact O-N 3.43Å; F24-Y26 HydrophobicContact CB-CD2 4.14Å; F24-Y26 HydrophobicContact CB-CE1 4.47Å; F24-Y26 HydrophobicContact CB-CE2 3.51Å; F24-Y49 WeakPolarHBondContact CA-O 3.3Å; F24-D50 HydrophobicContact CD1-CB 4.07Å; F24-D50 HydrophobicContact CE1-CB 3.73Å
25	L	97.9	Very high	96.1	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.2	158.3	168.4	72.2	0	0	0	107.1	A18 V20 V27 T48 Y49 W56 C305 M313 F315 L333	A18-L25 HydrophobicContact CB-CD1 3.99Å; V20-L25 HydrophobicContact CG2-CB 4.07Å; V20-L25 HydrophobicContact CG2-CD1 3.85Å; L25-V27 HydrophobicContact CD2-CG2 4.32Å; L25-V27 HydrophobicContact CG-CG2 4.13Å; L25-T48 CarbonylContact O-C 3.35Å; L25-T48 VanDerWaalsContact O-CA 3.31Å; L25-T48 WeakPolarHBondContact O-CA 3.48Å; L25-Y49 PolarHBondContact N-O 3.27Å; L25-Y49 PolarHBondContact O-N 3.42Å; L25-W56 HydrophobicContact CD2-CH2 4.04Å; L25-C305 HydrophobicContact CD1-CB 4.06Å; L25-M313 HydrophobicContact CB-CE 3.94Å; L25-M313 HydrophobicContact CD2-CE 3.9Å; L25-F315 HydrophobicContact CD2-CB 4.44Å; L25-L333 HydrophobicContact CD2-CD1 3.91Å
26	Y	98.2	Very high	95.4	Very high	10 Å²	10	34.3 Å²	34.3	4%	0.039	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135.7	176.6	-62.7	-96.3	0	0	0	108.9	A18 V19 D21 F24 I46 W47 T48 L101 Y108	A18-Y26 CarbonylContact C-O 3.49Å; A18-Y26 WeakPolarHBondContact CA-O 3.45Å; A18-Y26 WeakPolarHBondContact CB-O 3.31Å; V19-Y26 PolarHBondContact N-O 3.2Å; V19-Y26 PolarHBondContact O-N 3.27Å; D21-Y26 HydrophobicContact CB-CE2 4.05Å; F24-Y26 HydrophobicContact CB-CD2 4.14Å; F24-Y26 HydrophobicContact CB-CE1 4.47Å; F24-Y26 HydrophobicContact CB-CE2 3.51Å; Y26-I46 HydrophobicContact CD1-CD1 3.84Å; Y26-I46 HydrophobicContact CD1-CG1 4.36Å; Y26-I46 HydrophobicContact CG-CD1 4.48Å; Y26-W47 CarbonylContact C-O 3.51Å; Y26-W47 WeakPolarHBondContact CA-O 3.31Å; Y26-T48 HydrophobicContact CD1-CG2 3.61Å; Y26-T48 HydrophobicContact CE1-CG2 3.66Å; Y26-L101 HydrophobicContact CD1-CD1 4.49Å; Y26-L101 HydrophobicContact CD1-CD2 3.75Å; Y26-L101 HydrophobicContact CD2-CD1 3.83Å; Y26-L101 HydrophobicContact CE1-CB 4.07Å; Y26-L101 HydrophobicContact CE1-CD2 3.97Å; Y26-L101 HydrophobicContact CE1-CG 4.45Å; Y26-L101 HydrophobicContact CE2-CB 4.19Å; Y26-L101 HydrophobicContact CE2-CD1 4Å; Y26-L101 HydrophobicContact CG-CD1 4.09Å; Y26-L101 HydrophobicContact CG-CD2 4.05Å; Y26-L101 PolarHBondContact OH-O 3.19Å; Y26-Y108 AromaticContact CE1-CE1 3.86Å; Y26-Y108 HydrophobicContact CE1-CE1 3.86Å; Y26-Y108 AromaticContact CE1-CZ 3.99Å
27	V	98.5	Very high	94.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	130.5	-178.4	177.1	0	0	0	0	109.5	C17 A18 L25 W47 W56 F315	C17-V27 WeakPolarHBondContact O-CA 3.24Å; A18-V27 HydrophobicContact CB-CG2 3.97Å; L25-V27 HydrophobicContact CD2-CG2 4.32Å; L25-V27 HydrophobicContact CG-CG2 4.13Å; V27-W47 HydrophobicContact CB-CB 4.16Å; V27-W47 PolarHBondContact N-O 3.06Å; V27-W47 PolarHBondContact O-N 3.41Å; V27-W56 HydrophobicContact CB-CZ3 4.37Å; V27-W56 HydrophobicContact CG2-CH2 3.89Å; V27-W56 HydrophobicContact CG2-CZ3 3.87Å; V27-F315 HydrophobicContact CB-CE1 4.5Å; V27-F315 HydrophobicContact CG1-CD1 3.91Å; V27-F315 HydrophobicContact CG1-CE1 3.7Å; V27-F315 HydrophobicContact CG2-CD1 3.84Å; V27-F315 HydrophobicContact CG2-CE1 4.22Å; V27-F315 HydrophobicContact CG2-CG 4.41Å
28	W	98.5	Very high	94.6	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	144.9	-178.9	179.5	88.8	0	0	0	112	H16 C17 N43 P66 M69 I83 W110	H16-W28 WeakPolarHBondContact CB-O 3.48Å; C17-W28 PolarHBondContact N-O 3.17Å; C17-W28 PolarHBondContact O-N 3.42Å; W28-N43 HydrophobicContact CZ2-CB 4.28Å; W28-N43 PolarHBondContact NE1-O 3.21Å; W28-P66 HydrophobicContact CH2-CB 3.81Å; W28-P66 HydrophobicContact CH2-CG 4.24Å; W28-P66 HydrophobicContact CZ2-CB 3.81Å; W28-P66 HydrophobicContact CZ2-CG 3.94Å; W28-M69 HydrophobicContact CH2-CG 3.93Å; W28-M69 HydrophobicContact CZ3-CG 4.15Å; W28-I83 HydrophobicContact CE3-CD1 4.03Å; W28-I83 HydrophobicContact CE3-CG2 4.43Å; W28-I83 HydrophobicContact CH2-CD1 3.54Å; W28-I83 HydrophobicContact CZ2-CD1 4.17Å; W28-I83 HydrophobicContact CZ3-CD1 3.46Å; W28-I83 VanDerWaalsContact CZ3-CD1 3.46Å; W28-W110 HydrophobicContact CD2-CZ2 4.02Å; W28-W110 AromaticContact CE2-CZ2 3.95Å; W28-W110 HydrophobicContact CG-CZ2 4.1Å; W28-W110 AromaticContact NE1-CZ2 3.94Å; W28-W110 AromaticContact NE1-NE1 3.65Å
29	G	97.8	Very high	94.5	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.01	25%	0.251	C	S	.	.			trans	67.5	-154.3	173.8	0	0	0	0	0	114	R13 H16	R13-G29 WeakPolarHBondContact CD-O 3.42Å; R13-G29 PolarHBondContact NH1-O 3.09Å; H16-G29 VanDerWaalsContact CB-O 3.22Å; H16-G29 WeakPolarHBondContact CB-O 3.5Å
30	G	97.6	Very high	94.4	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.01	25%	0.253	C	S	.	.			trans	91.9	-176	-171.2	0	0	0	0	0	112.3	S14 L41 M69	S14-G30 CarbonylContact O-C 3.57Å; S14-G30 WeakPolarHBondContact O-CA 3.36Å; G30-L41 VanDerWaalsContact O-CD1 3.28Å; G30-L41 WeakPolarHBondContact O-CD1 3.5Å; G30-L41 PolarHBondContact O-N 3.07Å; G30-M69 PolarHBondContact N-O 3.24Å; G30-M69 VanDerWaalsContact N-O 3.09Å
31	Y	97.3	Very high	94.4	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.016	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	162.4	179.2	84.9	-72.7	0	0	0	110.8	R13 S14 E38 V39 W301 D326 H329	R13-Y31 WeakPolarHBondContact CA-O 3.43Å; S14-Y31 PolarHBondContact N-O 3.03Å; S14-Y31 WeakPolarHBondContact O-CD1 3.29Å; S14-Y31 PolarHBondContact O-N 2.65Å; Y31-E38 HydrophobicContact CD2-CB 3.96Å; Y31-E38 HydrophobicContact CD2-CG 4.02Å; Y31-E38 HydrophobicContact CE2-CB 4.33Å; Y31-E38 HydrophobicContact CE2-CG 3.87Å; Y31-V39 WeakPolarHBondContact CA-O 3.45Å; Y31-W301 HydrophobicContact CE1-CE3 4.06Å; Y31-W301 HydrophobicContact CE1-CH2 4.09Å; Y31-W301 AromaticContact CE1-CZ3 3.56Å; Y31-W301 HydrophobicContact CE1-CZ3 3.56Å; Y31-D326 WeakPolarHBondContact CE2-OD2 3.47Å; Y31-D326 VanDerWaalsContact CZ-OD2 3.3Å; Y31-D326 PolarHBondContact OH-OD2 2.83Å; Y31-H329 AromaticContact CE2-CE1 3.78Å; Y31-H329 AromaticContact CZ-CE1 3.73Å
32	V	95.9	Very high	94.4	Very high	19 Å²	19	46.3 Å²	46.3	12%	0.115	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	165.9	163.9	-68.1	0	0	0	0	109.4	E12 I34 V39 L41 H329	E12-V32 HydrophobicContact CB-CG1 4.43Å; E12-V32 HydrophobicContact CG-CG1 3.68Å; E12-V32 WeakPolarHBondContact O-CG1 3.39Å; V32-I34 HydrophobicContact CG2-CD1 4.29Å; V32-I34 HydrophobicContact CG2-CG1 4.18Å; V32-V39 HydrophobicContact CG2-CB 4.32Å; V32-V39 PolarHBondContact N-O 2.91Å; V32-V39 PolarHBondContact O-N 3.35Å; V32-L41 HydrophobicContact CG1-CD1 4.43Å; V32-H329 WeakPolarHBondContact CA-NE2 3.33Å; V32-H329 HydrophobicContact CG1-CB 4.24Å
33	S	93.2	Very high	94.6	Very high	23 Å²	23	45.5 Å²	45.5	16%	0.161	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.5	170.8	173.6	0	0	0	0	110.5	N37 D326 H329	S33-N37 CarbonylContact C-O 3.58Å; S33-N37 VanDerWaalsContact CA-O 3.32Å; S33-N37 WeakPolarHBondContact CA-O 3.46Å; S33-D326 WeakPolarHBondContact CB-O 3.01Å; S33-D326 PolarHBondContact OG-O 3Å; S33-H329 PolarHBondContact N-CD2 2.9Å; S33-H329 PolarHBondContact N-NE2 3.17Å
34	I	89.1	Confident	94.8	Very high	92 Å²	92	47.2 Å²	47.2	47%	0.472	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	119.4	177	-57.3	179.5	0	0	0	107.7	V32 D36 N37 V39	V32-I34 HydrophobicContact CG2-CD1 4.29Å; V32-I34 HydrophobicContact CG2-CG1 4.18Å; I34-D36 VanDerWaalsContact C-N 3.27Å; I34-D36 PolarHBondContact O-N 3.3Å; I34-N37 PolarHBondContact N-O 3Å; I34-N37 WeakPolarHBondContact O-CB 3.4Å; I34-N37 PolarHBondContact O-N 2.91Å; I34-V39 HydrophobicContact CB-CG2 4.08Å; I34-V39 HydrophobicContact CD1-CB 4.3Å; I34-V39 HydrophobicContact CD1-CG1 4.44Å; I34-V39 HydrophobicContact CD1-CG2 4.11Å; I34-V39 HydrophobicContact CG1-CB 4.5Å; I34-V39 HydrophobicContact CG1-CG2 4.15Å
35	E	86.9	Confident	94.8	Very high	173 Å²	173	45.3 Å²	45.3	81%	0.808	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	46.2	-178	-59.8	-178.6	175.9	0	0	112.6	N37	E35-N37 PolarHBondContact O-N 3.4Å; E35-N37 PolarHBondContact O-ND2 3.26Å
36	D	83.5	Confident	94.8	Very high	144 Å²	144	45.3 Å²	45.3	77%	0.77	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	11.8	-177.6	-54.2	-45.1	0	0	0	115.5	I34	I34-D36 VanDerWaalsContact C-N 3.27Å; I34-D36 PolarHBondContact O-N 3.3Å
37	N	88.4	Confident	94.7	Very high	103 Å²	103	45.5 Å²	45.5	55%	0.551	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.4	173.5	-59.3	-75	0	0	0	111	S33 I34 E35 V39	S33-N37 CarbonylContact C-O 3.58Å; S33-N37 VanDerWaalsContact CA-O 3.32Å; S33-N37 WeakPolarHBondContact CA-O 3.46Å; I34-N37 PolarHBondContact N-O 3Å; I34-N37 WeakPolarHBondContact O-CB 3.4Å; I34-N37 PolarHBondContact O-N 2.91Å; E35-N37 PolarHBondContact O-N 3.4Å; E35-N37 PolarHBondContact O-ND2 3.26Å; N37-V39 PolarHBondContact O-N 2.88Å
38	E	91.7	Very high	94.7	Very high	107 Å²	107	45.7 Å²	45.7	50%	0.5	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	120.4	170.2	-62.3	-175.7	157	0	0	109.8	Y31	Y31-E38 HydrophobicContact CD2-CB 3.96Å; Y31-E38 HydrophobicContact CD2-CG 4.02Å; Y31-E38 HydrophobicContact CE2-CB 4.33Å; Y31-E38 HydrophobicContact CE2-CG 3.87Å
39	V	95.4	Very high	94.6	Very high	62 Å²	62	46 Å²	46	38%	0.376	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	110.4	177.2	-178.2	0	0	0	0	108.3	Y31 V32 I34 N37	Y31-V39 WeakPolarHBondContact CA-O 3.45Å; V32-V39 HydrophobicContact CG2-CB 4.32Å; V32-V39 PolarHBondContact N-O 2.91Å; V32-V39 PolarHBondContact O-N 3.35Å; I34-V39 HydrophobicContact CB-CG2 4.08Å; I34-V39 HydrophobicContact CD1-CB 4.3Å; I34-V39 HydrophobicContact CD1-CG1 4.44Å; I34-V39 HydrophobicContact CD1-CG2 4.11Å; I34-V39 HydrophobicContact CG1-CB 4.5Å; I34-V39 HydrophobicContact CG1-CG2 4.15Å; N37-V39 PolarHBondContact O-N 2.88Å
40	Y	97.3	Very high	94.4	Very high	26 Å²	26	46.9 Å²	46.9	10%	0.102	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	142.1	175.6	-60.4	-79	0	0	0	111.3	Y87 D89	Y40-Y87 WeakPolarHBondContact CE1-O 3.27Å; Y40-Y87 WeakPolarHBondContact OH-CD1 3.48Å; Y40-D89 WeakPolarHBondContact CE2-OD1 3.21Å
41	L	96.9	Very high	94.3	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.031	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-71.5	158.4	177.1	-73.3	99.3	0	0	0	111.6	E11 R13 G30 V32 N43 S68	E11-L41 HydrophobicContact CB-CD2 3.96Å; R13-L41 HydrophobicContact CB-CD1 3.61Å; R13-L41 HydrophobicContact CB-CD2 4.3Å; G30-L41 VanDerWaalsContact O-CD1 3.28Å; G30-L41 WeakPolarHBondContact O-CD1 3.5Å; G30-L41 PolarHBondContact O-N 3.07Å; V32-L41 HydrophobicContact CG1-CD1 4.43Å; L41-N43 PolarHBondContact O-N 2.86Å; L41-S68 WeakPolarHBondContact O-CB 3.42Å; L41-S68 PolarHBondContact O-OG 3.34Å
42	P	96.8	Very high	94	Very high	46 Å²	46	48.5 Å²	48.5	30%	0.299	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-53	133.6	179.3	-26.9	35.3	0	0	0	112.6	D44 E45	P42-D44 VanDerWaalsContact C-N 3.35Å; P42-D44 WeakPolarHBondContact CB-OD1 3.47Å; P42-E45 HydrophobicContact CB-CB 4.32Å; P42-E45 HydrophobicContact CB-CG 3.87Å; P42-E45 HydrophobicContact CG-CG 4.47Å
43	N	95.9	Very high	93.9	Very high	42 Å²	42	48 Å²	48	23%	0.225	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-15.4	-178.8	59.2	-9.2	0	0	0	113.7	W28 L41 P66 S68	W28-N43 HydrophobicContact CZ2-CB 4.28Å; W28-N43 PolarHBondContact NE1-O 3.21Å; L41-N43 PolarHBondContact O-N 2.86Å; N43-P66 WeakPolarHBondContact CB-O 3.41Å; N43-P66 PolarHBondContact ND2-O 2.86Å; N43-S68 WeakPolarHBondContact CB-OG 3.48Å; N43-S68 PolarHBondContact N-OG 3.46Å
44	D	97	Very high	93.9	Very high	56 Å²	56	46.9 Å²	46.9	30%	0.299	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	11.1	177	63	-20.8	0	0	0	112.8	P42 L60 M61 L65	P42-D44 VanDerWaalsContact C-N 3.35Å; P42-D44 WeakPolarHBondContact CB-OD1 3.47Å; D44-L60 CarbonylContact O-C 3.59Å; D44-L60 WeakPolarHBondContact O-CA 3.34Å; D44-M61 WeakPolarHBondContact O-CB 3.41Å; D44-M61 PolarHBondContact O-N 2.98Å; D44-L65 HydrophobicContact CB-CD1 3.82Å; D44-L65 HydrophobicContact CB-CD2 4.31Å
45	E	96.6	Very high	94.1	Very high	35 Å²	35	43.8 Å²	43.8	16%	0.164	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129	177	-69.4	-174.5	-170.6	0	0	112.8	P42 W47 M58 L60	P42-E45 HydrophobicContact CB-CB 4.32Å; P42-E45 HydrophobicContact CB-CG 3.87Å; P42-E45 HydrophobicContact CG-CG 4.47Å; E45-W47 PolarHBondContact OE2-NE1 2.88Å; E45-M58 HydrophobicContact CB-CG 4.2Å; E45-M58 HydrophobicContact CG-CG 4Å; E45-M58 HydrophobicContact CG-SD 4Å; E45-L60 HydrophobicContact CG-CD2 4.43Å
46	I	97.5	Very high	94.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.3	163.7	-169.1	167	0	0	0	110.6	Y26 H59 M61 L101 Y108	Y26-I46 HydrophobicContact CD1-CD1 3.84Å; Y26-I46 HydrophobicContact CD1-CG1 4.36Å; Y26-I46 HydrophobicContact CG-CD1 4.48Å; I46-H59 HydrophobicContact CG2-CB 3.97Å; I46-H59 PolarHBondContact N-O 3.48Å; I46-H59 PolarHBondContact O-N 2.7Å; I46-M61 HydrophobicContact CB-CE 4.49Å; I46-M61 HydrophobicContact CB-CG 4.04Å; I46-M61 HydrophobicContact CB-SD 3.6Å; I46-M61 HydrophobicContact CG2-CE 4.47Å; I46-M61 HydrophobicContact CG2-CG 3.75Å; I46-M61 HydrophobicContact CG2-SD 3.91Å; I46-L101 HydrophobicContact CD1-CD2 4.04Å; I46-Y108 HydrophobicContact CG2-CD2 3.49Å; I46-Y108 VanDerWaalsContact CG2-CD2 3.49Å; I46-Y108 HydrophobicContact CG2-CE2 3.97Å; I46-Y108 HydrophobicContact CG2-CG 3.85Å
47	W	97.9	Very high	95	Very high	15 Å²	15	36.8 Å²	36.8	6%	0.057	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.5	179.1	-74.9	81.7	0	0	0	110	C8 V9 A10 Y26 V27 E45 W56 M58	C8-W47 WeakPolarHBondContact SG-CH2 3.39Å; C8-W47 WeakPolarHBondContact SG-CZ3 3.29Å; V9-W47 VanDerWaalsContact C-CZ3 3.48Å; V9-W47 WeakPolarHBondContact O-CH2 3.31Å; V9-W47 WeakPolarHBondContact O-CZ3 3.47Å; A10-W47 HydrophobicContact CB-CB 3.94Å; A10-W47 HydrophobicContact CB-CD2 3.56Å; A10-W47 HydrophobicContact CB-CE3 3.59Å; A10-W47 HydrophobicContact CB-CG 3.74Å; A10-W47 HydrophobicContact CB-CZ3 4.24Å; Y26-W47 CarbonylContact C-O 3.51Å; Y26-W47 WeakPolarHBondContact CA-O 3.31Å; V27-W47 HydrophobicContact CB-CB 4.16Å; V27-W47 PolarHBondContact N-O 3.06Å; V27-W47 PolarHBondContact O-N 3.41Å; E45-W47 PolarHBondContact OE2-NE1 2.88Å; W47-W56 HydrophobicContact CB-CE3 4.14Å; W47-W56 HydrophobicContact CB-CZ3 4.14Å; W47-W56 HydrophobicContact CE3-CB 4.25Å; W47-W56 HydrophobicContact CE3-CE3 4.36Å; W47-W56 HydrophobicContact CZ3-CB 4.34Å; W47-M58 HydrophobicContact CD2-CB 3.9Å; W47-M58 HydrophobicContact CD2-CG 4.31Å; W47-M58 HydrophobicContact CE3-CB 3.96Å; W47-M58 HydrophobicContact CH2-CB 3.88Å; W47-M58 HydrophobicContact CZ2-CB 3.77Å; W47-M58 HydrophobicContact CZ2-CG 4Å; W47-M58 HydrophobicContact CZ3-CB 3.95Å
48	T	96.9	Very high	95.4	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.025	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.8	177.1	58.3	0	0	0	0	110.2	L25 Y26 W56 R57 H59	L25-T48 CarbonylContact O-C 3.35Å; L25-T48 VanDerWaalsContact O-CA 3.31Å; L25-T48 WeakPolarHBondContact O-CA 3.48Å; Y26-T48 HydrophobicContact CD1-CG2 3.61Å; Y26-T48 HydrophobicContact CE1-CG2 3.66Å; T48-W56 CarbonylContact O-C 3.56Å; T48-W56 WeakPolarHBondContact O-CA 2.93Å; T48-R57 PolarHBondContact N-O 3.17Å; T48-R57 PolarHBondContact O-N 3.2Å; T48-R57 PolarHBondContact OG1-O 2.97Å; T48-R57 VanDerWaalsContact OG1-O 3.05Å; T48-H59 PolarHBondContact OG1-CD2 2.74Å; T48-H59 PolarHBondContact OG1-NE2 2.7Å
49	Y	96.6	Very high	95.6	Very high	7 Å²	7	32.3 Å²	32.3	3%	0.027	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117	169.9	176.3	-93.2	0	0	0	109.5	F24 L25 I51 G54 L55 W56 M313 L333	F24-Y49 WeakPolarHBondContact CA-O 3.3Å; L25-Y49 PolarHBondContact N-O 3.27Å; L25-Y49 PolarHBondContact O-N 3.42Å; Y49-I51 HydrophobicContact CD1-CG1 4.33Å; Y49-I51 PolarHBondContact O-N 2.83Å; Y49-G54 VanDerWaalsContact CE2-C 3.44Å; Y49-G54 WeakPolarHBondContact CE2-O 3.39Å; Y49-G54 WeakPolarHBondContact OH-CA 3.23Å; Y49-L55 WeakPolarHBondContact CA-O 3.08Å; Y49-W56 AromaticContact CD2-CD1 3.73Å; Y49-W56 AromaticContact CD2-CD2 3.83Å; Y49-W56 HydrophobicContact CD2-CD2 3.83Å; Y49-W56 AromaticContact CD2-CE2 3.46Å; Y49-W56 VanDerWaalsContact CD2-CE2 3.46Å; Y49-W56 AromaticContact CD2-CG 3.98Å; Y49-W56 HydrophobicContact CD2-CG 3.98Å; Y49-W56 AromaticContact CD2-CZ2 3.94Å; Y49-W56 HydrophobicContact CD2-CZ2 3.94Å; Y49-W56 AromaticContact CD2-NE1 3.41Å; Y49-W56 AromaticContact CE2-NE1 3.9Å; Y49-W56 HydrophobicContact CG-CD2 4.29Å; Y49-W56 HydrophobicContact CG-CZ2 4.14Å; Y49-M313 HydrophobicContact CD1-CE 3.43Å; Y49-M313 VanDerWaalsContact CD1-CE 3.43Å; Y49-M313 HydrophobicContact CE1-CE 3.51Å; Y49-L333 HydrophobicContact CD1-CD2 3.98Å; Y49-L333 HydrophobicContact CD2-CD2 4.34Å; Y49-L333 HydrophobicContact CE1-CD2 3.46Å; Y49-L333 VanDerWaalsContact CE1-CD2 3.46Å; Y49-L333 HydrophobicContact CE2-CD2 3.86Å; Y49-L333 HydrophobicContact CG-CD2 4.36Å
50	D	95	Very high	95.7	Very high	20 Å²	20	34.5 Å²	34.5	11%	0.107	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	111.5	172.6	-179.8	-17.3	0	0	0	109.2	N23 F24 D52 S53 G54 L55 K375	N23-D50 PolarHBondContact ND2-OD1 3.13Å; F24-D50 HydrophobicContact CD1-CB 4.07Å; F24-D50 HydrophobicContact CE1-CB 3.73Å; D50-D52 PolarHBondContact O-N 2.83Å; D50-D52 WeakPolarHBondContact OD1-CB 3.32Å; D50-D52 PolarHBondContact OD1-N 3.22Å; D50-S53 VanDerWaalsContact CB-OG 3.23Å; D50-S53 WeakPolarHBondContact CB-OG 3.28Å; D50-S53 PolarHBondContact O-N 3.07Å; D50-S53 PolarHBondContact OD1-N 3.28Å; D50-S53 PolarHBondContact OD2-OG 2.91Å; D50-G54 WeakPolarHBondContact O-CA 3.35Å; D50-G54 PolarHBondContact O-N 3.42Å; D50-L55 PolarHBondContact N-O 3.39Å; D50-K375 IonicContact OD1-NZ 3.82Å; D50-K375 IonicContact OD2-NZ 3.56Å
51	I	94	Very high	95.7	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.026	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-33	-176.8	-61	171.1	0	0	0	111.9	V20 N23 Y49 K308 M313	V20-I51 HydrophobicContact CG1-CD1 4.18Å; V20-I51 HydrophobicContact CG2-CD1 4.5Å; N23-I51 WeakPolarHBondContact O-CB 3.41Å; N23-I51 WeakPolarHBondContact O-CG1 3.38Å; N23-I51 PolarHBondContact O-N 3.33Å; Y49-I51 HydrophobicContact CD1-CG1 4.33Å; Y49-I51 PolarHBondContact O-N 2.83Å; I51-K308 HydrophobicContact CG2-CB 4.2Å; I51-K308 HydrophobicContact CG2-CD 4.36Å; I51-K308 HydrophobicContact CG2-CG 4.28Å; I51-M313 HydrophobicContact CD1-CE 4.4Å; I51-M313 HydrophobicContact CD1-SD 3.78Å; I51-M313 HydrophobicContact CG1-CE 3.8Å; I51-M313 HydrophobicContact CG1-SD 3.8Å
52	D	92.1	Very high	95.7	Very high	34 Å²	34	38.9 Å²	38.9	18%	0.182	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-45.6	-178.6	-69.2	-27.6	0	0	0	111.3	N23 D50 K308 K375 K376	N23-D52 PolarHBondContact ND2-OD2 3.46Å; N23-D52 PolarHBondContact OD1-OD1 3.08Å; N23-D52 PolarHBondContact OD1-OD2 2.85Å; N23-D52 VanDerWaalsContact OD1-OD2 3.06Å; D50-D52 PolarHBondContact O-N 2.83Å; D50-D52 WeakPolarHBondContact OD1-CB 3.32Å; D50-D52 PolarHBondContact OD1-N 3.22Å; D52-K308 IonicContact OD1-NZ 2.74Å; D52-K308 PolarHBondContact OD1-NZ 3.35Å; D52-K308 IonicContact OD2-NZ 2.98Å; D52-K308 PolarHBondContact OD2-NZ 3.16Å; D52-K375 HydrophobicContact CB-CB 4.21Å; D52-K375 HydrophobicContact CB-CD 3.39Å; D52-K375 HydrophobicContact CB-CG 4.48Å; D52-K375 IonicContact OD2-NZ 3.17Å; D52-K375 PolarHBondContact OD2-NZ 3.49Å; D52-K376 PolarHBondContact O-NZ 3.25Å
53	S	92.9	Very high	95.7	Very high	8 Å²	8	39.2 Å²	39.2	6%	0.056	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-12.3	-173.4	68.4	0	0	0	0	115	D50 L55 K375 F379	D50-S53 VanDerWaalsContact CB-OG 3.23Å; D50-S53 WeakPolarHBondContact CB-OG 3.28Å; D50-S53 PolarHBondContact O-N 3.07Å; D50-S53 PolarHBondContact OD1-N 3.28Å; D50-S53 PolarHBondContact OD2-OG 2.91Å; S53-L55 VanDerWaalsContact C-N 3.26Å; S53-L55 PolarHBondContact O-N 3.18Å; S53-K375 WeakPolarHBondContact CA-O 3.26Å; S53-F379 WeakPolarHBondContact O-CA 3.49Å; S53-F379 PolarHBondContact O-N 3.47Å
54	G	92.6	Very high	95.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	21.7	176.5	0	0	0	0	0	114.6	Y49 D50 R386	Y49-G54 VanDerWaalsContact CE2-C 3.44Å; Y49-G54 WeakPolarHBondContact CE2-O 3.39Å; Y49-G54 WeakPolarHBondContact OH-CA 3.23Å; D50-G54 WeakPolarHBondContact O-CA 3.35Å; D50-G54 PolarHBondContact O-N 3.42Å; G54-R386 PolarHBondContact O-NH1 3.44Å; G54-R386 PolarHBondContact O-NH2 3.47Å
55	L	93.8	Very high	95.9	Very high	27 Å²	27	42.2 Å²	42.2	14%	0.141	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	136.4	-177.2	-62.9	-173.6	0	0	0	111.1	F7 Y49 D50 S53 T378 A382	F7-L55 HydrophobicContact CD1-CD2 3.47Å; F7-L55 VanDerWaalsContact CD1-CD2 3.47Å; F7-L55 HydrophobicContact CE1-CD2 3.69Å; Y49-L55 WeakPolarHBondContact CA-O 3.08Å; D50-L55 PolarHBondContact N-O 3.39Å; S53-L55 VanDerWaalsContact C-N 3.26Å; S53-L55 PolarHBondContact O-N 3.18Å; L55-T378 HydrophobicContact CD1-CG2 3.65Å; L55-T378 HydrophobicContact CD2-CG2 3.94Å; L55-T378 HydrophobicContact CG-CG2 3.83Å; L55-A382 HydrophobicContact CD2-CB 4.04Å
56	W	95.8	Very high	95.9	Very high	14 Å²	14	40.6 Å²	40.6	5%	0.053	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	149.6	166.6	-65.8	92	0	0	0	111.3	C8 A10 L25 V27 W47 T48 Y49 F315	C8-W56 WeakPolarHBondContact O-CB 3.49Å; A10-W56 HydrophobicContact CB-CD2 4.04Å; A10-W56 HydrophobicContact CB-CE3 3.7Å; A10-W56 HydrophobicContact CB-CH2 4.24Å; A10-W56 HydrophobicContact CB-CZ3 3.8Å; L25-W56 HydrophobicContact CD2-CH2 4.04Å; V27-W56 HydrophobicContact CB-CZ3 4.37Å; V27-W56 HydrophobicContact CG2-CH2 3.89Å; V27-W56 HydrophobicContact CG2-CZ3 3.87Å; W47-W56 HydrophobicContact CB-CE3 4.14Å; W47-W56 HydrophobicContact CB-CZ3 4.14Å; W47-W56 HydrophobicContact CE3-CB 4.25Å; W47-W56 HydrophobicContact CE3-CE3 4.36Å; W47-W56 HydrophobicContact CZ3-CB 4.34Å; T48-W56 CarbonylContact O-C 3.56Å; T48-W56 WeakPolarHBondContact O-CA 2.93Å; Y49-W56 AromaticContact CD2-CD1 3.73Å; Y49-W56 AromaticContact CD2-CD2 3.83Å; Y49-W56 HydrophobicContact CD2-CD2 3.83Å; Y49-W56 AromaticContact CD2-CE2 3.46Å; Y49-W56 VanDerWaalsContact CD2-CE2 3.46Å; Y49-W56 AromaticContact CD2-CG 3.98Å; Y49-W56 HydrophobicContact CD2-CG 3.98Å; Y49-W56 AromaticContact CD2-CZ2 3.94Å; Y49-W56 HydrophobicContact CD2-CZ2 3.94Å; Y49-W56 AromaticContact CD2-NE1 3.41Å; Y49-W56 AromaticContact CE2-NE1 3.9Å; Y49-W56 HydrophobicContact CG-CD2 4.29Å; Y49-W56 HydrophobicContact CG-CZ2 4.14Å; W56-F315 HydrophobicContact CH2-CD1 4.41Å; W56-F315 AromaticContact CH2-CD2 3.63Å; W56-F315 HydrophobicContact CH2-CD2 3.63Å; W56-F315 HydrophobicContact CH2-CE1 4.44Å; W56-F315 AromaticContact CH2-CE2 3.61Å; W56-F315 HydrophobicContact CH2-CE2 3.61Å; W56-F315 HydrophobicContact CH2-CG 4.05Å; W56-F315 HydrophobicContact CH2-CZ 4.06Å; W56-F315 AromaticContact CZ2-CD2 3.51Å; W56-F315 HydrophobicContact CZ2-CD2 3.51Å; W56-F315 AromaticContact CZ2-CE2 3.43Å; W56-F315 HydrophobicContact CZ2-CE2 3.43Å; W56-F315 VanDerWaalsContact CZ2-CE2 3.43Å; W56-F315 HydrophobicContact CZ2-CG 4.35Å; W56-F315 HydrophobicContact CZ2-CZ 4.27Å
57	R	94.9	Very high	95.9	Very high	155 Å²	155	42 Å²	42	59%	0.585	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-142.3	130.3	167.8	-60.2	-178.1	-176.4	-173.1	-0.6	109.1	T48	T48-R57 PolarHBondContact N-O 3.17Å; T48-R57 PolarHBondContact O-N 3.2Å; T48-R57 PolarHBondContact OG1-O 2.97Å; T48-R57 VanDerWaalsContact OG1-O 3.05Å
58	M	95.7	Very high	95.8	Very high	74 Å²	74	42.7 Å²	42.7	37%	0.365	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	139.2	167	-177.3	-81.2	-78.7	0	0	108.9	E45 W47 L60	E45-M58 HydrophobicContact CB-CG 4.2Å; E45-M58 HydrophobicContact CG-CG 4Å; E45-M58 HydrophobicContact CG-SD 4Å; W47-M58 HydrophobicContact CD2-CB 3.9Å; W47-M58 HydrophobicContact CD2-CG 4.31Å; W47-M58 HydrophobicContact CE3-CB 3.96Å; W47-M58 HydrophobicContact CH2-CB 3.88Å; W47-M58 HydrophobicContact CZ2-CB 3.77Å; W47-M58 HydrophobicContact CZ2-CG 4Å; W47-M58 HydrophobicContact CZ3-CB 3.95Å; M58-L60 HydrophobicContact CE-CD2 4.35Å; M58-L60 HydrophobicContact CE-CG 4.47Å; M58-L60 HydrophobicContact SD-CD2 4.12Å; M58-L60 HydrophobicContact SD-CG 4.16Å
59	H	95.9	Very high	95.8	Very high	43 Å²	43	42.8 Å²	42.8	20%	0.199	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.3	169.8	-53.4	-97.6	0	0	0	109	I46 T48 Y108	I46-H59 HydrophobicContact CG2-CB 3.97Å; I46-H59 PolarHBondContact N-O 3.48Å; I46-H59 PolarHBondContact O-N 2.7Å; T48-H59 PolarHBondContact OG1-CD2 2.74Å; T48-H59 PolarHBondContact OG1-NE2 2.7Å; H59-Y108 HydrophobicContact CB-CD2 3.69Å; H59-Y108 HydrophobicContact CB-CE2 3.65Å; H59-Y108 AromaticContact CD2-CE2 3.76Å; H59-Y108 AromaticContact CG-CE2 3.52Å; H59-Y108 AromaticContact ND1-CE2 3.92Å
60	L	96.7	Very high	95.8	Very high	108 Å²	108	42.7 Å²	42.7	57%	0.565	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	143.9	171.1	-68.8	172.4	0	0	0	110	D44 E45 M58	D44-L60 CarbonylContact O-C 3.59Å; D44-L60 WeakPolarHBondContact O-CA 3.34Å; E45-L60 HydrophobicContact CG-CD2 4.43Å; M58-L60 HydrophobicContact CE-CD2 4.35Å; M58-L60 HydrophobicContact CE-CG 4.47Å; M58-L60 HydrophobicContact SD-CD2 4.12Å; M58-L60 HydrophobicContact SD-CG 4.16Å
61	M	97.6	Very high	95.9	Very high	9 Å²	9	41.8 Å²	41.8	4%	0.044	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	148.3	-178.6	-55.9	-166.2	71.2	0	0	110.6	D44 I46 L65 V99 Y108 W110	D44-M61 WeakPolarHBondContact O-CB 3.41Å; D44-M61 PolarHBondContact O-N 2.98Å; I46-M61 HydrophobicContact CB-CE 4.49Å; I46-M61 HydrophobicContact CB-CG 4.04Å; I46-M61 HydrophobicContact CB-SD 3.6Å; I46-M61 HydrophobicContact CG2-CE 4.47Å; I46-M61 HydrophobicContact CG2-CG 3.75Å; I46-M61 HydrophobicContact CG2-SD 3.91Å; M61-L65 HydrophobicContact CB-CD2 4.15Å; M61-V99 HydrophobicContact CE-CB 4.06Å; M61-V99 HydrophobicContact CE-CG1 4.1Å; M61-V99 HydrophobicContact CE-CG2 3.69Å; M61-Y108 VanDerWaalsContact CA-O 3.26Å; M61-Y108 WeakPolarHBondContact CA-O 3.24Å; M61-W110 HydrophobicContact CE-CD2 3.97Å; M61-W110 VanDerWaalsContact CE-CE2 3.43Å; M61-W110 HydrophobicContact CE-CG 3.88Å; M61-W110 HydrophobicContact CE-CZ2 4.05Å; M61-W110 HydrophobicContact SD-CZ2 4.42Å; M61-W110 PolarHBondContact SD-NE1 3.25Å
62	E	97.4	Very high	96.1	Very high	115 Å²	115	42.3 Å²	42.3	54%	0.537	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	178.9	-179.4	-61.5	179.6	-172.1	0	0	110.9	Y108 I109 W110	E62-Y108 PolarHBondContact N-O 3.38Å; E62-I109 HydrophobicContact CB-CG1 4.39Å; E62-I109 CarbonylContact O-C 3.57Å; E62-I109 WeakPolarHBondContact O-CA 3.38Å; E62-W110 PolarHBondContact O-N 2.89Å
63	G	97.6	Very high	96.4	Very high	53 Å²	53	41 Å²	41	55%	0.546	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	89	-144.4	174.5	0	0	0	0	0	114	L65	G63-L65 VanDerWaalsContact C-N 3.34Å; G63-L65 PolarHBondContact O-N 3.27Å
64	E	98.1	Very high	96.6	Very high	98 Å²	98	42 Å²	42	46%	0.458	23%	0.229	S	C	.	.	S	Bend	trans	-84.6	75.8	-177.3	-66	-176.3	104.3	0	0	110.8	Y97 W110 K112	E64-Y97 WeakPolarHBondContact O-CD1 3.47Å; E64-Y97 WeakPolarHBondContact O-CE1 3.09Å; E64-W110 PolarHBondContact N-O 3.28Å; E64-W110 WeakPolarHBondContact O-CB 3.4Å; E64-K112 HydrophobicContact CB-CB 3.99Å; E64-K112 HydrophobicContact CG-CB 4.47Å; E64-K112 WeakPolarHBondContact OE2-CB 3.12Å; E64-K112 PolarHBondContact OE2-N 3.06Å
65	L	97.4	Very high	96.8	Very high	63 Å²	63	42.3 Å²	42.3	33%	0.33	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-55.6	128	-176.4	-58.6	178.6	0	0	0	111.8	D44 M61 G63	D44-L65 HydrophobicContact CB-CD1 3.82Å; D44-L65 HydrophobicContact CB-CD2 4.31Å; M61-L65 HydrophobicContact CB-CD2 4.15Å; G63-L65 VanDerWaalsContact C-N 3.34Å; G63-L65 PolarHBondContact O-N 3.27Å
66	P	97.3	Very high	97	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-59.5	158.7	163.4	-14.2	26.2	0	0	0	109.9	W28 N43 M69 I83 Y97 W110	W28-P66 HydrophobicContact CH2-CB 3.81Å; W28-P66 HydrophobicContact CH2-CG 4.24Å; W28-P66 HydrophobicContact CZ2-CB 3.81Å; W28-P66 HydrophobicContact CZ2-CG 3.94Å; N43-P66 WeakPolarHBondContact CB-O 3.41Å; N43-P66 PolarHBondContact ND2-O 2.86Å; P66-M69 HydrophobicContact CB-CE 4.11Å; P66-I83 HydrophobicContact CB-CD1 3.73Å; P66-I83 HydrophobicContact CG-CD1 3.49Å; P66-I83 VanDerWaalsContact CG-CD1 3.49Å; P66-I83 HydrophobicContact CG-CG1 4.46Å; P66-Y97 HydrophobicContact CB-CD1 4.4Å; P66-Y97 HydrophobicContact CB-CD2 4.09Å; P66-Y97 HydrophobicContact CB-CE1 4.39Å; P66-Y97 HydrophobicContact CB-CE2 4.1Å; P66-Y97 HydrophobicContact CB-CG 4.26Å; P66-Y97 HydrophobicContact CG-CD1 3.86Å; P66-Y97 HydrophobicContact CG-CD2 4.12Å; P66-Y97 HydrophobicContact CG-CE1 4.26Å; P66-Y97 HydrophobicContact CG-CG 3.79Å; P66-W110 VanDerWaalsContact CD-CD1 3.42Å; P66-W110 VanDerWaalsContact CD-CG 3.45Å; P66-W110 HydrophobicContact CG-CD2 3.72Å; P66-W110 HydrophobicContact CG-CE3 4.07Å; P66-W110 HydrophobicContact CG-CG 4.09Å; P66-W110 HydrophobicContact CG-CZ2 4.16Å; P66-W110 HydrophobicContact CG-CZ3 4.44Å
67	A	96.9	Very high	97	Very high	29 Å²	29	42.4 Å²	42.4	24%	0.24	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-67.5	155.4	170.6	0	0	0	0	0	110.9	M69 D88	A67-M69 HydrophobicContact CB-CE 3.83Å; A67-M69 WeakPolarHBondContact O-CE 3.29Å; A67-M69 WeakPolarHBondContact O-CG 3.46Å; A67-M69 PolarHBondContact O-N 3.3Å; A67-D88 HydrophobicContact CB-CB 4.37Å; A67-D88 WeakPolarHBondContact CB-OD2 3.33Å
68	S	97	Very high	97	Very high	31 Å²	31	40.2 Å²	40.2	22%	0.217	24%	0.235	C	C	.	.	S	Bend	trans	-64.1	119.4	168.4	-68.3	0	0	0	0	108.3	L41 N43 D88	L41-S68 WeakPolarHBondContact O-CB 3.42Å; L41-S68 PolarHBondContact O-OG 3.34Å; N43-S68 WeakPolarHBondContact CB-OG 3.48Å; N43-S68 PolarHBondContact N-OG 3.46Å; S68-D88 VanDerWaalsContact O-CB 3.31Å; S68-D88 WeakPolarHBondContact O-CB 3.46Å
69	M	96.3	Very high	97	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.03	22%	0.218	C	C	.	.			trans	-152	158.1	-169.5	63.3	-176.6	76.5	0	0	112.5	W28 G30 P66 A67 S72 Y87 D88	W28-M69 HydrophobicContact CH2-CG 3.93Å; W28-M69 HydrophobicContact CZ3-CG 4.15Å; G30-M69 PolarHBondContact N-O 3.24Å; G30-M69 VanDerWaalsContact N-O 3.09Å; P66-M69 HydrophobicContact CB-CE 4.11Å; A67-M69 HydrophobicContact CB-CE 3.83Å; A67-M69 WeakPolarHBondContact O-CE 3.29Å; A67-M69 WeakPolarHBondContact O-CG 3.46Å; A67-M69 PolarHBondContact O-N 3.3Å; M69-S72 WeakPolarHBondContact CG-OG 3.45Å; M69-S72 PolarHBondContact SD-OG 3.45Å; M69-Y87 VanDerWaalsContact CA-O 3.31Å; M69-Y87 WeakPolarHBondContact CA-O 3.24Å; M69-Y87 VanDerWaalsContact CB-O 3.26Å; M69-Y87 WeakPolarHBondContact CB-O 3.29Å; M69-D88 HydrophobicContact CB-CB 4.08Å
70	S	96.9	Very high	97.1	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.028	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-110.1	165.9	169.9	77.8	0	0	0	0	110.7	S72 G86 Y87	S70-S72 PolarHBondContact O-N 3.12Å; S70-G86 WeakPolarHBondContact O-CA 3.26Å; S70-Y87 PolarHBondContact N-O 3.02Å; S70-Y87 PolarHBondContact O-N 3.41Å
71	G	97.1	Very high	97.2	Very high	2 Å²	2	33 Å²	33	2%	0.021	20%	0.197	C	C	.	.	S	Bend	trans	69	9.1	171.6	0	0	0	0	0	115.2	G15 K126	G15-G71 PolarHBondContact O-N 3.41Å; G71-K126 PolarHBondContact O-N 2.97Å
72	S	98.1	Very high	97.3	Very high	15 Å²	15	33.2 Å²	33.2	11%	0.105	20%	0.197	C	C	.	.			trans	-57.2	147.6	168.9	-85	0	0	0	0	111.4	C17 M69 S70 G85	C17-S72 VanDerWaalsContact SG-CB 3.55Å; C17-S72 PolarHBondContact SG-O 2.92Å; C17-S72 VanDerWaalsContact SG-O 3.35Å; M69-S72 WeakPolarHBondContact CG-OG 3.45Å; M69-S72 PolarHBondContact SD-OG 3.45Å; S70-S72 PolarHBondContact O-N 3.12Å; S72-G85 PolarHBondContact OG-O 2.87Å
73	C	98.3	Very high	97.3	Very high	8 Å²	8	27.8 Å²	27.8	5%	0.054	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	103	172.6	-172.1	0	0	0	0	110.3	I83 F84 L127 S128 C129 Y138	C73-I83 WeakPolarHBondContact O-CA 3.34Å; C73-F84 PolarHBondContact N-O 2.85Å; C73-F84 PolarHBondContact O-N 3.43Å; C73-L127 HydrophobicContact CB-CD1 4.33Å; C73-L127 HydrophobicContact CB-CD2 3.86Å; C73-L127 HydrophobicContact CB-CG 3.72Å; C73-S128 VanDerWaalsContact SG-C 3.55Å; C73-S128 VanDerWaalsContact SG-CA 3.59Å; C73-C129 VanDerWaalsContact SG-CB 3.51Å; C73-Y138 HydrophobicContact CB-CD1 4.45Å; C73-Y138 HydrophobicContact CB-CE1 4.22Å
74	G	97.3	Very high	97.4	Very high	28 Å²	28	25.3 Å²	25.3	29%	0.289	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	136.2	175.5	0	0	0	0	0	112.6	C17 Y82	C17-G74 PolarHBondContact SG-N 3.15Å; C17-G74 VanDerWaalsContact SG-N 3.4Å; G74-Y82 CarbonylContact C-O 3.51Å; G74-Y82 VanDerWaalsContact CA-O 3.32Å; G74-Y82 WeakPolarHBondContact CA-O 3.27Å
75	A	97.6	Very high	97.4	Very high	7 Å²	7	20.8 Å²	20.8	6%	0.058	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	142.6	173.3	0	0	0	0	0	110.9	Y82 C129 V131 L136	A75-Y82 PolarHBondContact N-O 3.35Å; A75-Y82 PolarHBondContact O-N 2.94Å; A75-C129 HydrophobicContact CB-CB 4.21Å; A75-V131 HydrophobicContact CB-CG2 3.86Å; A75-L136 HydrophobicContact CB-CD2 3.83Å
76	C	97.4	Very high	97.4	Very high	33 Å²	33	17.8 Å²	17.8	22%	0.223	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.2	175.6	-178.5	0	0	0	0	110.8	V19 K80	V19-C76 HydrophobicContact CB-CB 3.73Å; V19-C76 HydrophobicContact CG1-CB 3.88Å; V19-C76 HydrophobicContact CG2-CB 4.02Å; C76-K80 WeakPolarHBondContact CA-O 3.4Å
77	I	96.4	Very high	97.4	Very high	9 Å²	9	21.7 Å²	21.7	5%	0.046	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	131.9	174.9	-168.8	178	0	0	0	109.1	G79 K80 Y82 V131 K133 L136 T178	I77-G79 PolarHBondContact O-N 2.89Å; I77-G79 VanDerWaalsContact O-N 3.13Å; I77-K80 PolarHBondContact N-O 3.31Å; I77-K80 PolarHBondContact O-N 3.01Å; I77-Y82 HydrophobicContact CG2-CD2 3.58Å; I77-Y82 HydrophobicContact CG2-CE2 3.3Å; I77-V131 HydrophobicContact CB-CG1 3.92Å; I77-V131 HydrophobicContact CD1-CG1 3.8Å; I77-V131 HydrophobicContact CG1-CG1 3.82Å; I77-K133 WeakPolarHBondContact CD1-O 3.24Å; I77-L136 HydrophobicContact CB-CD2 4.46Å; I77-L136 HydrophobicContact CG2-CD2 4.02Å; I77-T178 HydrophobicContact CD1-CG2 4.49Å; I77-T178 HydrophobicContact CG2-CG2 4.32Å
78	N	94.6	Very high	97.3	Very high	109 Å²	109	21.1 Å²	21.1	58%	0.583	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	35.1	177.7	-62.8	-30.7	0	0	0	114.7	K80 D134	N78-K80 VanDerWaalsContact C-N 3.3Å; N78-D134 PolarHBondContact ND2-OD1 3.04Å
79	G	96.3	Very high	97.1	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.01	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	12.7	-180	0	0	0	0	0	114.7	I77 N100 L101	I77-G79 PolarHBondContact O-N 2.89Å; I77-G79 VanDerWaalsContact O-N 3.13Å; G79-N100 PolarHBondContact O-OD1 2.78Å; G79-L101 WeakPolarHBondContact O-CB 3.37Å; G79-L101 PolarHBondContact O-N 3.46Å
80	K	98.1	Very high	97	Very high	68 Å²	68	35.8 Å²	35.8	30%	0.296	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.6	174.1	-66.6	179.7	172.5	-163.8	0	109.9	C76 I77 N78 Y82 F98 V99	C76-K80 WeakPolarHBondContact CA-O 3.4Å; I77-K80 PolarHBondContact N-O 3.31Å; I77-K80 PolarHBondContact O-N 3.01Å; N78-K80 VanDerWaalsContact C-N 3.3Å; K80-Y82 HydrophobicContact CB-CD2 4.14Å; K80-Y82 HydrophobicContact CB-CE2 3.57Å; K80-Y82 HydrophobicContact CD-CE2 4.22Å; K80-F98 HydrophobicContact CD-CD2 3.71Å; K80-F98 HydrophobicContact CD-CE2 4.01Å; K80-F98 HydrophobicContact CG-CD2 4.32Å; K80-F98 VanDerWaalsContact NZ-CE2 3.31Å; K80-V99 CarbonylContact C-O 3.56Å; K80-V99 VanDerWaalsContact CA-O 3.26Å; K80-V99 WeakPolarHBondContact CA-O 3.05Å
81	L	98.4	Very high	96.9	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	124.3	165.1	166.7	62.7	0	0	0	107.9	V19 I83 F98 V99 L101 W110	V19-L81 HydrophobicContact CG1-CD1 3.83Å; V19-L81 HydrophobicContact CG2-CB 4.31Å; V19-L81 HydrophobicContact CG2-CD1 3.94Å; L81-I83 HydrophobicContact CD1-CG2 4.13Å; L81-I83 HydrophobicContact CD2-CG2 4.48Å; L81-I83 HydrophobicContact CG-CG2 4.21Å; L81-F98 CarbonylContact O-C 3.59Å; L81-F98 WeakPolarHBondContact O-CA 3.42Å; L81-F98 WeakPolarHBondContact O-CB 3.38Å; L81-V99 HydrophobicContact CB-CG1 3.82Å; L81-V99 HydrophobicContact CD2-CG1 4.14Å; L81-V99 HydrophobicContact CG-CG1 4.25Å; L81-V99 PolarHBondContact N-O 3.13Å; L81-V99 PolarHBondContact O-N 2.75Å; L81-L101 HydrophobicContact CB-CD1 4Å; L81-L101 HydrophobicContact CB-CD2 3.87Å; L81-L101 HydrophobicContact CB-CG 4.06Å; L81-W110 HydrophobicContact CD2-CH2 4.11Å; L81-W110 HydrophobicContact CG-CH2 4.27Å
82	Y	98.6	Very high	96.9	Very high	14 Å²	14	38.8 Å²	38.8	6%	0.055	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138	167.8	-69.7	-102.7	0	0	0	108.9	G74 A75 I77 K80 L96 Y97 F98 I113 L136 F176 T178	G74-Y82 CarbonylContact C-O 3.51Å; G74-Y82 VanDerWaalsContact CA-O 3.32Å; G74-Y82 WeakPolarHBondContact CA-O 3.27Å; A75-Y82 PolarHBondContact N-O 3.35Å; A75-Y82 PolarHBondContact O-N 2.94Å; I77-Y82 HydrophobicContact CG2-CD2 3.58Å; I77-Y82 HydrophobicContact CG2-CE2 3.3Å; K80-Y82 HydrophobicContact CB-CD2 4.14Å; K80-Y82 HydrophobicContact CB-CE2 3.57Å; K80-Y82 HydrophobicContact CD-CE2 4.22Å; Y82-L96 HydrophobicContact CD1-CD1 4.29Å; Y82-Y97 VanDerWaalsContact CA-O 3.31Å; Y82-Y97 WeakPolarHBondContact CA-O 3.2Å; Y82-F98 HydrophobicContact CD1-CB 3.57Å; Y82-F98 HydrophobicContact CD1-CG 4.48Å; Y82-F98 HydrophobicContact CD2-CB 4.3Å; Y82-F98 HydrophobicContact CE1-CB 3.61Å; Y82-F98 HydrophobicContact CE1-CD1 4.26Å; Y82-F98 HydrophobicContact CE1-CG 4.06Å; Y82-F98 HydrophobicContact CE2-CB 4.32Å; Y82-F98 HydrophobicContact CG-CB 3.93Å; Y82-I113 HydrophobicContact CD1-CD1 4.22Å; Y82-I113 HydrophobicContact CE1-CD1 3.81Å; Y82-L136 HydrophobicContact CD1-CD1 3.62Å; Y82-L136 HydrophobicContact CD2-CD1 4.03Å; Y82-L136 HydrophobicContact CE1-CD1 4.25Å; Y82-L136 HydrophobicContact CG-CD1 3.5Å; Y82-L136 VanDerWaalsContact CG-CD1 3.5Å; Y82-F176 HydrophobicContact CE1-CE1 4.42Å; Y82-T178 HydrophobicContact CE1-CG2 4.39Å
83	I	98.4	Very high	96.8	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	136	168.3	63.9	169.3	0	0	0	109.6	C17 W28 P66 C73 L81 Y97 W110	C17-I83 HydrophobicContact CB-CG2 4.49Å; W28-I83 HydrophobicContact CE3-CD1 4.03Å; W28-I83 HydrophobicContact CE3-CG2 4.43Å; W28-I83 HydrophobicContact CH2-CD1 3.54Å; W28-I83 HydrophobicContact CZ2-CD1 4.17Å; W28-I83 HydrophobicContact CZ3-CD1 3.46Å; W28-I83 VanDerWaalsContact CZ3-CD1 3.46Å; P66-I83 HydrophobicContact CB-CD1 3.73Å; P66-I83 HydrophobicContact CG-CD1 3.49Å; P66-I83 VanDerWaalsContact CG-CD1 3.49Å; P66-I83 HydrophobicContact CG-CG1 4.46Å; C73-I83 WeakPolarHBondContact O-CA 3.34Å; L81-I83 HydrophobicContact CD1-CG2 4.13Å; L81-I83 HydrophobicContact CD2-CG2 4.48Å; L81-I83 HydrophobicContact CG-CG2 4.21Å; I83-Y97 HydrophobicContact CG1-CD2 4.5Å; I83-Y97 PolarHBondContact N-O 2.71Å; I83-Y97 PolarHBondContact O-N 3.24Å; I83-W110 HydrophobicContact CB-CH2 4.39Å; I83-W110 HydrophobicContact CD1-CH2 3.69Å; I83-W110 HydrophobicContact CD1-CZ2 4.08Å; I83-W110 HydrophobicContact CD1-CZ3 4.1Å; I83-W110 HydrophobicContact CG1-CH2 3.7Å; I83-W110 HydrophobicContact CG1-CZ3 3.8Å; I83-W110 HydrophobicContact CG2-CH2 3.87Å
84	F	98.6	Very high	96.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.4	177.4	176.4	-91.6	0	0	0	111	C73 N94 L96 P121 R124 L127 Y138 W183	C73-F84 PolarHBondContact N-O 2.85Å; C73-F84 PolarHBondContact O-N 3.43Å; F84-N94 HydrophobicContact CE2-CB 4.34Å; F84-N94 WeakPolarHBondContact CE2-O 3.31Å; F84-N94 HydrophobicContact CZ-CB 4.1Å; F84-L96 HydrophobicContact CB-CD1 3.92Å; F84-L96 HydrophobicContact CD2-CB 4.23Å; F84-L96 HydrophobicContact CD2-CD1 4.25Å; F84-P121 HydrophobicContact CE1-CB 4.08Å; F84-P121 HydrophobicContact CE1-CG 3.82Å; F84-P121 HydrophobicContact CE2-CG 4.09Å; F84-P121 HydrophobicContact CZ-CB 3.67Å; F84-P121 HydrophobicContact CZ-CG 3.37Å; F84-R124 HydrophobicContact CE1-CG 4.36Å; F84-L127 HydrophobicContact CD1-CD1 3.81Å; F84-L127 HydrophobicContact CD1-CD2 4.35Å; F84-L127 HydrophobicContact CE1-CD1 3.98Å; F84-Y138 HydrophobicContact CB-CD1 4.39Å; F84-Y138 HydrophobicContact CB-CE1 3.56Å; F84-Y138 HydrophobicContact CB-CE2 4.46Å; F84-Y138 WeakPolarHBondContact CB-OH 3.38Å; F84-Y138 HydrophobicContact CD1-CD1 4.12Å; F84-Y138 HydrophobicContact CD1-CE1 4.13Å; F84-Y138 HydrophobicContact CG-CD1 4.43Å; F84-Y138 HydrophobicContact CG-CE1 4.02Å; F84-W183 AromaticContact CD2-CH2 3.78Å; F84-W183 HydrophobicContact CD2-CH2 3.78Å; F84-W183 AromaticContact CD2-CZ2 3.84Å; F84-W183 HydrophobicContact CD2-CZ2 3.84Å; F84-W183 AromaticContact CE2-CH2 3.81Å; F84-W183 HydrophobicContact CE2-CH2 3.81Å; F84-W183 AromaticContact CE2-CZ2 3.86Å; F84-W183 HydrophobicContact CE2-CZ2 3.86Å; F84-W183 HydrophobicContact CG-CH2 4.43Å; F84-W183 HydrophobicContact CZ-CH2 4.5Å
85	G	98.1	Very high	96.8	Very high	3 Å²	3	45.7 Å²	45.7	3%	0.031	22%	0.221	C	C	.	.			trans	74.7	-145.4	174.2	0	0	0	0	0	112.8	S72 S93 R95 R124	S72-G85 PolarHBondContact OG-O 2.87Å; G85-S93 VanDerWaalsContact CA-O 3.24Å; G85-S93 WeakPolarHBondContact CA-O 3.03Å; G85-R95 PolarHBondContact N-O 3.44Å; G85-R124 CarbonylContact C-O 3.57Å; G85-R124 WeakPolarHBondContact CA-O 3.47Å
86	G	98	Very high	96.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.219	C	C	.	.			trans	107	173.7	-179.4	0	0	0	0	0	113.5	S70 Y92 S93 R124	S70-G86 WeakPolarHBondContact O-CA 3.26Å; G86-Y92 WeakPolarHBondContact O-CA 3.34Å; G86-S93 PolarHBondContact O-N 3.05Å; G86-R124 PolarHBondContact N-O 2.75Å
87	Y	97.2	Very high	96.9	Very high	82 Å²	82	44.5 Å²	44.5	32%	0.322	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	128.4	179.7	-172.4	-91.8	0	0	0	110.1	Y40 M69 S70 Y92	Y40-Y87 WeakPolarHBondContact CE1-O 3.27Å; Y40-Y87 WeakPolarHBondContact OH-CD1 3.48Å; M69-Y87 VanDerWaalsContact CA-O 3.31Å; M69-Y87 WeakPolarHBondContact CA-O 3.24Å; M69-Y87 VanDerWaalsContact CB-O 3.26Å; M69-Y87 WeakPolarHBondContact CB-O 3.29Å; S70-Y87 PolarHBondContact N-O 3.02Å; S70-Y87 PolarHBondContact O-N 3.41Å; Y87-Y92 AromaticContact CD2-CD1 3.72Å; Y87-Y92 HydrophobicContact CD2-CD1 3.72Å; Y87-Y92 HydrophobicContact CD2-CD2 4.03Å; Y87-Y92 AromaticContact CD2-CE1 3.58Å; Y87-Y92 HydrophobicContact CD2-CE1 3.58Å; Y87-Y92 AromaticContact CD2-CE2 3.87Å; Y87-Y92 HydrophobicContact CD2-CE2 3.87Å; Y87-Y92 AromaticContact CD2-CG 3.92Å; Y87-Y92 HydrophobicContact CD2-CG 3.92Å; Y87-Y92 AromaticContact CD2-CZ 3.62Å; Y87-Y92 HydrophobicContact CE2-CD2 4.12Å; Y87-Y92 HydrophobicContact CE2-CE1 4.25Å; Y87-Y92 AromaticContact CE2-CE2 3.75Å; Y87-Y92 HydrophobicContact CE2-CE2 3.75Å; Y87-Y92 HydrophobicContact CE2-CG 4.47Å; Y87-Y92 AromaticContact CE2-CZ 3.8Å; Y87-Y92 HydrophobicContact CG-CE1 4.43Å
88	D	95.6	Very high	97	Very high	18 Å²	18	44.7 Å²	44.7	10%	0.096	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	-173.1	175.7	66.9	22.6	0	0	0	110.6	A67 S68 M69 K90 G91	A67-D88 HydrophobicContact CB-CB 4.37Å; A67-D88 WeakPolarHBondContact CB-OD2 3.33Å; S68-D88 VanDerWaalsContact O-CB 3.31Å; S68-D88 WeakPolarHBondContact O-CB 3.46Å; M69-D88 HydrophobicContact CB-CB 4.08Å; D88-K90 PolarHBondContact O-N 3.09Å; D88-K90 VanDerWaalsContact OD1-CA 3.28Å; D88-K90 WeakPolarHBondContact OD1-CA 3.49Å; D88-K90 VanDerWaalsContact OD1-CB 3.28Å; D88-K90 WeakPolarHBondContact OD1-CB 3.38Å; D88-K90 PolarHBondContact OD1-N 2.64Å; D88-G91 PolarHBondContact N-O 2.96Å; D88-G91 VanDerWaalsContact N-O 3.13Å; D88-G91 WeakPolarHBondContact O-CA 3.39Å; D88-G91 PolarHBondContact O-N 3.2Å; D88-G91 PolarHBondContact OD1-N 2.8Å
89	D	92.6	Very high	97.2	Very high	145 Å²	145	39.5 Å²	39.5	78%	0.775	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-18.6	178.3	-60.9	-33.2	0	0	0	114.5	Y40	Y40-D89 WeakPolarHBondContact CE2-OD1 3.21Å
90	K	92.9	Very high	97.3	Very high	199 Å²	199	42.6 Å²	42.6	87%	0.865	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-2.7	177.3	-58.4	174.5	-177.6	169.7	0	111.9	D88	D88-K90 PolarHBondContact O-N 3.09Å; D88-K90 VanDerWaalsContact OD1-CA 3.28Å; D88-K90 WeakPolarHBondContact OD1-CA 3.49Å; D88-K90 VanDerWaalsContact OD1-CB 3.28Å; D88-K90 WeakPolarHBondContact OD1-CB 3.38Å; D88-K90 PolarHBondContact OD1-N 2.64Å
91	G	94.6	Very high	97.2	Very high	15 Å²	15	39.4 Å²	39.4	16%	0.155	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103.3	-152.1	176.3	0	0	0	0	0	113.7	D88	D88-G91 PolarHBondContact N-O 2.96Å; D88-G91 VanDerWaalsContact N-O 3.13Å; D88-G91 WeakPolarHBondContact O-CA 3.39Å; D88-G91 PolarHBondContact O-N 3.2Å; D88-G91 PolarHBondContact OD1-N 2.8Å
92	Y	96.9	Very high	97.1	Very high	54 Å²	54	46.4 Å²	46.4	21%	0.212	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	142.4	-175.9	-61.3	-82.1	0	0	0	112.2	G86 Y87 P123 D125 Y142 W167	G86-Y92 WeakPolarHBondContact O-CA 3.34Å; Y87-Y92 AromaticContact CD2-CD1 3.72Å; Y87-Y92 HydrophobicContact CD2-CD1 3.72Å; Y87-Y92 HydrophobicContact CD2-CD2 4.03Å; Y87-Y92 AromaticContact CD2-CE1 3.58Å; Y87-Y92 HydrophobicContact CD2-CE1 3.58Å; Y87-Y92 AromaticContact CD2-CE2 3.87Å; Y87-Y92 HydrophobicContact CD2-CE2 3.87Å; Y87-Y92 AromaticContact CD2-CG 3.92Å; Y87-Y92 HydrophobicContact CD2-CG 3.92Å; Y87-Y92 AromaticContact CD2-CZ 3.62Å; Y87-Y92 HydrophobicContact CE2-CD2 4.12Å; Y87-Y92 HydrophobicContact CE2-CE1 4.25Å; Y87-Y92 AromaticContact CE2-CE2 3.75Å; Y87-Y92 HydrophobicContact CE2-CE2 3.75Å; Y87-Y92 HydrophobicContact CE2-CG 4.47Å; Y87-Y92 AromaticContact CE2-CZ 3.8Å; Y87-Y92 HydrophobicContact CG-CE1 4.43Å; Y92-P123 WeakPolarHBondContact O-CB 3.44Å; Y92-D125 HydrophobicContact CD1-CB 4.23Å; Y92-D125 HydrophobicContact CE1-CB 4.35Å; Y92-Y142 AromaticContact CE1-CD1 3.99Å; Y92-Y142 HydrophobicContact CE1-CD1 3.99Å; Y92-Y142 WeakPolarHBondContact CE1-O 3.44Å; Y92-Y142 AromaticContact CZ-CD1 3.72Å; Y92-Y142 AromaticContact CZ-CE1 3.93Å; Y92-Y142 WeakPolarHBondContact OH-CD1 3.35Å; Y92-Y142 WeakPolarHBondContact OH-CE1 3.15Å; Y92-W167 AromaticContact CE2-CD1 3.59Å; Y92-W167 AromaticContact CE2-NE1 3.84Å
93	S	97.3	Very high	96.8	Very high	13 Å²	13	47.6 Å²	47.6	9%	0.091	22%	0.22	C	C	.	.			trans	-109.4	154.1	174.1	175.9	0	0	0	0	111.4	G85 G86 R95 P123 R124	G85-S93 VanDerWaalsContact CA-O 3.24Å; G85-S93 WeakPolarHBondContact CA-O 3.03Å; G86-S93 PolarHBondContact O-N 3.05Å; S93-R95 WeakPolarHBondContact OG-CB 3.42Å; S93-R95 PolarHBondContact OG-N 3.31Å; S93-P123 CarbonylContact O-C 3.58Å; S93-P123 VanDerWaalsContact O-CA 3.26Å; S93-P123 WeakPolarHBondContact O-CA 3.34Å; S93-R124 PolarHBondContact O-N 3.38Å
94	N	97.3	Very high	96.3	Very high	56 Å²	56	59.8 Å²	59.8	30%	0.299	27%	0.266	S	S	.	.			trans	-124.7	19.3	162.2	66.7	-14.2	0	0	0	112.1	F84 P121 P123	F84-N94 HydrophobicContact CE2-CB 4.34Å; F84-N94 WeakPolarHBondContact CE2-O 3.31Å; F84-N94 HydrophobicContact CZ-CB 4.1Å; N94-P121 WeakPolarHBondContact CB-O 3.28Å; N94-P121 PolarHBondContact ND2-O 3.04Å; N94-P123 HydrophobicContact CB-CB 4.41Å; N94-P123 HydrophobicContact CB-CG 4.15Å
95	R	98.1	Very high	95.8	Very high	128 Å²	128	65.7 Å²	65.7	48%	0.483	30%	0.298	S	S	.	.			trans	-76.8	143	-177.7	-62.3	174.3	-179.7	175.7	5	109.6	G85 S93 Y97	G85-R95 PolarHBondContact N-O 3.44Å; S93-R95 WeakPolarHBondContact OG-CB 3.42Å; S93-R95 PolarHBondContact OG-N 3.31Å; R95-Y97 HydrophobicContact CB-CD2 4.1Å; R95-Y97 HydrophobicContact CB-CE2 3.41Å; R95-Y97 VanDerWaalsContact CB-CE2 3.41Å; R95-Y97 HydrophobicContact CG-CE2 4.4Å
96	L	98.5	Very high	95.2	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.9	175	-177.3	68.3	0	0	0	109	Y82 F84 I113 F176 W183	Y82-L96 HydrophobicContact CD1-CD1 4.29Å; F84-L96 HydrophobicContact CB-CD1 3.92Å; F84-L96 HydrophobicContact CD2-CB 4.23Å; F84-L96 HydrophobicContact CD2-CD1 4.25Å; L96-I113 HydrophobicContact CB-CB 4.41Å; L96-I113 HydrophobicContact CD2-CB 4.22Å; L96-I113 HydrophobicContact CD2-CD1 3.55Å; L96-I113 HydrophobicContact CD2-CG1 4.33Å; L96-I113 HydrophobicContact CD2-CG2 4.5Å; L96-I113 HydrophobicContact CG-CB 4.38Å; L96-I113 HydrophobicContact CG-CD1 3.91Å; L96-I113 HydrophobicContact CG-CG1 4.39Å; L96-I113 PolarHBondContact O-N 3.2Å; L96-F176 HydrophobicContact CD2-CD1 3.61Å; L96-F176 HydrophobicContact CD2-CD2 3.93Å; L96-F176 HydrophobicContact CD2-CE1 3.56Å; L96-F176 HydrophobicContact CD2-CE2 3.89Å; L96-F176 HydrophobicContact CD2-CG 3.79Å; L96-F176 HydrophobicContact CD2-CZ 3.7Å; L96-W183 HydrophobicContact CB-CZ2 4.33Å; L96-W183 HydrophobicContact CD2-CZ2 3.84Å; L96-W183 HydrophobicContact CG-CZ2 4.46Å
97	Y	98.6	Very high	95	Very high	11 Å²	11	68.9 Å²	68.9	4%	0.043	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	155.5	174.8	-63.3	-102.6	0	0	0	109.6	E64 P66 Y82 I83 R95 E111 K112	E64-Y97 WeakPolarHBondContact O-CD1 3.47Å; E64-Y97 WeakPolarHBondContact O-CE1 3.09Å; P66-Y97 HydrophobicContact CB-CD1 4.4Å; P66-Y97 HydrophobicContact CB-CD2 4.09Å; P66-Y97 HydrophobicContact CB-CE1 4.39Å; P66-Y97 HydrophobicContact CB-CE2 4.1Å; P66-Y97 HydrophobicContact CB-CG 4.26Å; P66-Y97 HydrophobicContact CG-CD1 3.86Å; P66-Y97 HydrophobicContact CG-CD2 4.12Å; P66-Y97 HydrophobicContact CG-CE1 4.26Å; P66-Y97 HydrophobicContact CG-CG 3.79Å; Y82-Y97 VanDerWaalsContact CA-O 3.31Å; Y82-Y97 WeakPolarHBondContact CA-O 3.2Å; I83-Y97 HydrophobicContact CG1-CD2 4.5Å; I83-Y97 PolarHBondContact N-O 2.71Å; I83-Y97 PolarHBondContact O-N 3.24Å; R95-Y97 HydrophobicContact CB-CD2 4.1Å; R95-Y97 HydrophobicContact CB-CE2 3.41Å; R95-Y97 VanDerWaalsContact CB-CE2 3.41Å; R95-Y97 HydrophobicContact CG-CE2 4.4Å; Y97-E111 CarbonylContact C-O 3.55Å; Y97-E111 WeakPolarHBondContact CA-O 3.47Å; Y97-K112 HydrophobicContact CD1-CB 3.67Å; Y97-K112 HydrophobicContact CD1-CG 3.92Å; Y97-K112 HydrophobicContact CE1-CB 3.51Å; Y97-K112 HydrophobicContact CE1-CD 3.88Å; Y97-K112 HydrophobicContact CE1-CG 3.53Å; Y97-K112 HydrophobicContact CE2-CG 4.42Å
98	F	98.3	Very high	95	Very high	13 Å²	13	65.6 Å²	65.6	6%	0.057	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	157.4	166.1	76.4	-85.4	0	0	0	112.3	K80 L81 Y82 W110 E111 I113	K80-F98 HydrophobicContact CD-CD2 3.71Å; K80-F98 HydrophobicContact CD-CE2 4.01Å; K80-F98 HydrophobicContact CG-CD2 4.32Å; K80-F98 VanDerWaalsContact NZ-CE2 3.31Å; L81-F98 CarbonylContact O-C 3.59Å; L81-F98 WeakPolarHBondContact O-CA 3.42Å; L81-F98 WeakPolarHBondContact O-CB 3.38Å; Y82-F98 HydrophobicContact CD1-CB 3.57Å; Y82-F98 HydrophobicContact CD1-CG 4.48Å; Y82-F98 HydrophobicContact CD2-CB 4.3Å; Y82-F98 HydrophobicContact CE1-CB 3.61Å; Y82-F98 HydrophobicContact CE1-CD1 4.26Å; Y82-F98 HydrophobicContact CE1-CG 4.06Å; Y82-F98 HydrophobicContact CE2-CB 4.32Å; Y82-F98 HydrophobicContact CG-CB 3.93Å; F98-W110 VanDerWaalsContact C-CE3 3.4Å; F98-E111 HydrophobicContact CD1-CB 4.11Å; F98-E111 HydrophobicContact CE1-CB 3.62Å; F98-E111 HydrophobicContact CE1-CG 4.48Å; F98-E111 HydrophobicContact CE2-CB 4.21Å; F98-E111 HydrophobicContact CE2-CG 4.4Å; F98-E111 WeakPolarHBondContact CE2-OE1 3.5Å; F98-E111 HydrophobicContact CZ-CB 3.67Å; F98-E111 HydrophobicContact CZ-CG 4.06Å; F98-E111 WeakPolarHBondContact CZ-OE1 3.49Å; F98-E111 WeakPolarHBondContact CZ-OE2 3.3Å; F98-E111 PolarHBondContact N-O 3.37Å; F98-E111 PolarHBondContact O-N 2.74Å; F98-I113 HydrophobicContact CD1-CD1 3.59Å; F98-I113 HydrophobicContact CD1-CG1 3.59Å; F98-I113 HydrophobicContact CE1-CD1 4.13Å; F98-I113 HydrophobicContact CE1-CG1 3.9Å
99	V	98.4	Very high	95.1	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137.9	171.6	58.2	0	0	0	0	109.4	M61 K80 L81 L101 Y108 I109 W110	M61-V99 HydrophobicContact CE-CB 4.06Å; M61-V99 HydrophobicContact CE-CG1 4.1Å; M61-V99 HydrophobicContact CE-CG2 3.69Å; K80-V99 CarbonylContact C-O 3.56Å; K80-V99 VanDerWaalsContact CA-O 3.26Å; K80-V99 WeakPolarHBondContact CA-O 3.05Å; L81-V99 HydrophobicContact CB-CG1 3.82Å; L81-V99 HydrophobicContact CD2-CG1 4.14Å; L81-V99 HydrophobicContact CG-CG1 4.25Å; L81-V99 PolarHBondContact N-O 3.13Å; L81-V99 PolarHBondContact O-N 2.75Å; V99-L101 HydrophobicContact CG1-CD2 4.11Å; V99-Y108 HydrophobicContact CG2-CD1 4.38Å; V99-I109 WeakPolarHBondContact CG2-O 3.39Å; V99-W110 HydrophobicContact CB-CD2 4.05Å; V99-W110 HydrophobicContact CB-CE3 3.83Å; V99-W110 HydrophobicContact CB-CH2 4.41Å; V99-W110 HydrophobicContact CB-CZ3 4.03Å; V99-W110 HydrophobicContact CG1-CD2 4.34Å; V99-W110 HydrophobicContact CG1-CE3 4.08Å; V99-W110 HydrophobicContact CG1-CH2 3.74Å; V99-W110 HydrophobicContact CG1-CZ2 4.03Å; V99-W110 HydrophobicContact CG1-CZ3 3.78Å
100	N	97.8	Very high	95.4	Very high	65 Å²	65	61.9 Å²	61.9	35%	0.348	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	123.2	172.2	-176.4	13	0	0	0	110	G79 R102 T103	G79-N100 PolarHBondContact O-OD1 2.78Å; N100-R102 PolarHBondContact OD1-N 3.31Å; N100-T103 VanDerWaalsContact O-CG2 3.27Å; N100-T103 WeakPolarHBondContact O-CG2 3.5Å
101	L	97.4	Very high	95.6	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.01	27%	0.267	C	S	.	.	S	Bend	trans	-88.5	-19.4	179.6	-56.6	180	0	0	0	112.7	V19 D21 Y26 I46 G79 L81 V99 T103	V19-L101 HydrophobicContact CG2-CD1 3.89Å; D21-L101 HydrophobicContact CB-CD1 4.06Å; Y26-L101 HydrophobicContact CD1-CD1 4.49Å; Y26-L101 HydrophobicContact CD1-CD2 3.75Å; Y26-L101 HydrophobicContact CD2-CD1 3.83Å; Y26-L101 HydrophobicContact CE1-CB 4.07Å; Y26-L101 HydrophobicContact CE1-CD2 3.97Å; Y26-L101 HydrophobicContact CE1-CG 4.45Å; Y26-L101 HydrophobicContact CE2-CB 4.19Å; Y26-L101 HydrophobicContact CE2-CD1 4Å; Y26-L101 HydrophobicContact CG-CD1 4.09Å; Y26-L101 HydrophobicContact CG-CD2 4.05Å; Y26-L101 PolarHBondContact OH-O 3.19Å; I46-L101 HydrophobicContact CD1-CD2 4.04Å; G79-L101 WeakPolarHBondContact O-CB 3.37Å; G79-L101 PolarHBondContact O-N 3.46Å; L81-L101 HydrophobicContact CB-CD1 4Å; L81-L101 HydrophobicContact CB-CD2 3.87Å; L81-L101 HydrophobicContact CB-CG 4.06Å; V99-L101 HydrophobicContact CG1-CD2 4.11Å; L101-T103 PolarHBondContact O-N 3.02Å
102	R	95.4	Very high	95.8	Very high	151 Å²	151	59 Å²	59	57%	0.57	27%	0.272	S	S	*	.			trans	-94.7	66.7	-176.7	-62.6	-178.4	-176.1	168.9	4.4	110.7	D21 N100	D21-R102 IonicContact OD1-CZ 2.71Å; D21-R102 IonicContact OD1-NE 2.75Å; D21-R102 PolarHBondContact OD1-NE 2.91Å; D21-R102 IonicContact OD1-NH2 3.52Å; D21-R102 PolarHBondContact OD1-NH2 3.1Å; D21-R102 VanDerWaalsContact OD2-CG 3.28Å; D21-R102 WeakPolarHBondContact OD2-CG 3.42Å; D21-R102 IonicContact OD2-CZ 2.64Å; D21-R102 IonicContact OD2-NE 3.57Å; D21-R102 PolarHBondContact OD2-NE 3.26Å; D21-R102 IonicContact OD2-NH2 3.62Å; N100-R102 PolarHBondContact OD1-N 3.31Å
103	T	92.4	Very high	95.8	Very high	38 Å²	38	57 Å²	57	23%	0.233	27%	0.265	C	S	.	.			trans	-96	153.7	-178.4	66.5	0	0	0	0	109.8	N100 L101 G106 T107 Y108	N100-T103 VanDerWaalsContact O-CG2 3.27Å; N100-T103 WeakPolarHBondContact O-CG2 3.5Å; L101-T103 PolarHBondContact O-N 3.02Å; T103-G106 WeakPolarHBondContact OG1-CA 3.39Å; T103-G106 PolarHBondContact OG1-N 2.83Å; T103-T107 WeakPolarHBondContact CG2-O 3.5Å; T103-Y108 HydrophobicContact CG2-CD1 4.1Å; T103-Y108 HydrophobicContact CG2-CE1 4.28Å
104	R	87.2	Confident	95.8	Very high	258 Å²	258	60.8 Å²	60.8	97%	0.974	29%	0.288	S	S	*	.	S	Bend	trans	-95.8	-31.6	-179.2	-69.9	-175.4	-179.6	-178.8	1.3	112.6
105	D	88.8	Confident	95.7	Very high	124 Å²	124	64.4 Å²	64.4	66%	0.663	31%	0.307	S	S	*	.	S	Bend	trans	-94.6	-11.3	-178.8	49.3	7.2	0	0	0	112.8	T107	D105-T107 VanDerWaalsContact C-N 3.31Å; D105-T107 PolarHBondContact OD1-N 3.23Å; D105-T107 VanDerWaalsContact OD1-N 3.09Å
106	G	85.3	Confident	95.6	Very high	24 Å²	24	61.6 Å²	61.6	25%	0.247	30%	0.299	C	S	.	.	S	Bend	trans	81.4	11.2	-175.1	0	0	0	0	0	113.4	T103 Y108	T103-G106 WeakPolarHBondContact OG1-CA 3.39Å; T103-G106 PolarHBondContact OG1-N 2.83Å; G106-Y108 VanDerWaalsContact O-CD2 3.29Å; G106-Y108 WeakPolarHBondContact O-CD2 3.4Å; G106-Y108 VanDerWaalsContact O-CE2 3.24Å; G106-Y108 WeakPolarHBondContact O-CE2 3.49Å
107	T	93.6	Very high	95.5	Very high	47 Å²	47	68 Å²	68	29%	0.288	33%	0.328	S	S	.	.			trans	-88.7	124.6	177.5	-57.2	0	0	0	0	110.2	T103 D105 I109	T103-T107 WeakPolarHBondContact CG2-O 3.5Å; D105-T107 VanDerWaalsContact C-N 3.31Å; D105-T107 PolarHBondContact OD1-N 3.23Å; D105-T107 VanDerWaalsContact OD1-N 3.09Å; T107-I109 HydrophobicContact CG2-CD1 4.37Å; T107-I109 HydrophobicContact CG2-CG1 4.03Å
108	Y	97.7	Very high	95.4	Very high	13 Å²	13	69.4 Å²	69.4	5%	0.051	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.1	-179.7	-58.7	-81.8	0	0	0	110.1	Y26 I46 H59 M61 E62 V99 T103 G106	Y26-Y108 AromaticContact CE1-CE1 3.86Å; Y26-Y108 HydrophobicContact CE1-CE1 3.86Å; Y26-Y108 AromaticContact CE1-CZ 3.99Å; I46-Y108 HydrophobicContact CG2-CD2 3.49Å; I46-Y108 VanDerWaalsContact CG2-CD2 3.49Å; I46-Y108 HydrophobicContact CG2-CE2 3.97Å; I46-Y108 HydrophobicContact CG2-CG 3.85Å; H59-Y108 HydrophobicContact CB-CD2 3.69Å; H59-Y108 HydrophobicContact CB-CE2 3.65Å; H59-Y108 AromaticContact CD2-CE2 3.76Å; H59-Y108 AromaticContact CG-CE2 3.52Å; H59-Y108 AromaticContact ND1-CE2 3.92Å; M61-Y108 VanDerWaalsContact CA-O 3.26Å; M61-Y108 WeakPolarHBondContact CA-O 3.24Å; E62-Y108 PolarHBondContact N-O 3.38Å; V99-Y108 HydrophobicContact CG2-CD1 4.38Å; T103-Y108 HydrophobicContact CG2-CD1 4.1Å; T103-Y108 HydrophobicContact CG2-CE1 4.28Å; G106-Y108 VanDerWaalsContact O-CD2 3.29Å; G106-Y108 WeakPolarHBondContact O-CD2 3.4Å; G106-Y108 VanDerWaalsContact O-CE2 3.24Å; G106-Y108 WeakPolarHBondContact O-CE2 3.49Å
109	I	98.1	Very high	95.2	Very high	82 Å²	82	76.1 Å²	76.1	42%	0.421	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	119.2	-175.6	-55.1	176.5	0	0	0	108.9	E62 V99 T107	E62-I109 HydrophobicContact CB-CG1 4.39Å; E62-I109 CarbonylContact O-C 3.57Å; E62-I109 WeakPolarHBondContact O-CA 3.38Å; V99-I109 WeakPolarHBondContact CG2-O 3.39Å; T107-I109 HydrophobicContact CG2-CD1 4.37Å; T107-I109 HydrophobicContact CG2-CG1 4.03Å
110	W	98.4	Very high	95.1	Very high	2 Å²	2	77.4 Å²	77.4	1%	0.008	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	135.6	171.5	-81.9	116.1	0	0	0	110.9	W28 M61 E62 E64 P66 L81 I83 F98 V99	W28-W110 HydrophobicContact CD2-CZ2 4.02Å; W28-W110 AromaticContact CE2-CZ2 3.95Å; W28-W110 HydrophobicContact CG-CZ2 4.1Å; W28-W110 AromaticContact NE1-CZ2 3.94Å; W28-W110 AromaticContact NE1-NE1 3.65Å; M61-W110 HydrophobicContact CE-CD2 3.97Å; M61-W110 VanDerWaalsContact CE-CE2 3.43Å; M61-W110 HydrophobicContact CE-CG 3.88Å; M61-W110 HydrophobicContact CE-CZ2 4.05Å; M61-W110 HydrophobicContact SD-CZ2 4.42Å; M61-W110 PolarHBondContact SD-NE1 3.25Å; E62-W110 PolarHBondContact O-N 2.89Å; E64-W110 PolarHBondContact N-O 3.28Å; E64-W110 WeakPolarHBondContact O-CB 3.4Å; P66-W110 VanDerWaalsContact CD-CD1 3.42Å; P66-W110 VanDerWaalsContact CD-CG 3.45Å; P66-W110 HydrophobicContact CG-CD2 3.72Å; P66-W110 HydrophobicContact CG-CE3 4.07Å; P66-W110 HydrophobicContact CG-CG 4.09Å; P66-W110 HydrophobicContact CG-CZ2 4.16Å; P66-W110 HydrophobicContact CG-CZ3 4.44Å; L81-W110 HydrophobicContact CD2-CH2 4.11Å; L81-W110 HydrophobicContact CG-CH2 4.27Å; I83-W110 HydrophobicContact CB-CH2 4.39Å; I83-W110 HydrophobicContact CD1-CH2 3.69Å; I83-W110 HydrophobicContact CD1-CZ2 4.08Å; I83-W110 HydrophobicContact CD1-CZ3 4.1Å; I83-W110 HydrophobicContact CG1-CH2 3.7Å; I83-W110 HydrophobicContact CG1-CZ3 3.8Å; I83-W110 HydrophobicContact CG2-CH2 3.87Å; F98-W110 VanDerWaalsContact C-CE3 3.4Å; V99-W110 HydrophobicContact CB-CD2 4.05Å; V99-W110 HydrophobicContact CB-CE3 3.83Å; V99-W110 HydrophobicContact CB-CH2 4.41Å; V99-W110 HydrophobicContact CB-CZ3 4.03Å; V99-W110 HydrophobicContact CG1-CD2 4.34Å; V99-W110 HydrophobicContact CG1-CE3 4.08Å; V99-W110 HydrophobicContact CG1-CH2 3.74Å; V99-W110 HydrophobicContact CG1-CZ2 4.03Å; V99-W110 HydrophobicContact CG1-CZ3 3.78Å
111	E	98.3	Very high	95	Very high	95 Å²	95	74.4 Å²	74.4	44%	0.444	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.8	171.3	-66.7	-179.1	-114.1	0	0	109	Y97 F98	Y97-E111 CarbonylContact C-O 3.55Å; Y97-E111 WeakPolarHBondContact CA-O 3.47Å; F98-E111 HydrophobicContact CD1-CB 4.11Å; F98-E111 HydrophobicContact CE1-CB 3.62Å; F98-E111 HydrophobicContact CE1-CG 4.48Å; F98-E111 HydrophobicContact CE2-CB 4.21Å; F98-E111 HydrophobicContact CE2-CG 4.4Å; F98-E111 WeakPolarHBondContact CE2-OE1 3.5Å; F98-E111 HydrophobicContact CZ-CB 3.67Å; F98-E111 HydrophobicContact CZ-CG 4.06Å; F98-E111 WeakPolarHBondContact CZ-OE1 3.49Å; F98-E111 WeakPolarHBondContact CZ-OE2 3.3Å; F98-E111 PolarHBondContact N-O 3.37Å; F98-E111 PolarHBondContact O-N 2.74Å
112	K	98.3	Very high	94.9	Very high	59 Å²	59	75.2 Å²	75.2	26%	0.257	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125.2	175	-171.5	-176.9	176.8	-175	0	109.3	E64 Y97 T114	E64-K112 HydrophobicContact CB-CB 3.99Å; E64-K112 HydrophobicContact CG-CB 4.47Å; E64-K112 WeakPolarHBondContact OE2-CB 3.12Å; E64-K112 PolarHBondContact OE2-N 3.06Å; Y97-K112 HydrophobicContact CD1-CB 3.67Å; Y97-K112 HydrophobicContact CD1-CG 3.92Å; Y97-K112 HydrophobicContact CE1-CB 3.51Å; Y97-K112 HydrophobicContact CE1-CD 3.88Å; Y97-K112 HydrophobicContact CE1-CG 3.53Å; Y97-K112 HydrophobicContact CE2-CG 4.42Å; K112-T114 HydrophobicContact CB-CG2 4.45Å; K112-T114 HydrophobicContact CD-CG2 3.83Å; K112-T114 HydrophobicContact CG-CG2 3.92Å; K112-T114 PolarHBondContact O-N 2.7Å; K112-T114 VanDerWaalsContact O-N 3.12Å
113	I	97.6	Very high	95	Very high	12 Å²	12	69.7 Å²	69.7	6%	0.062	36%	0.359	C	S	.	.			trans	-80.3	104.5	176.2	-55.3	-177.1	0	0	0	108.4	Y82 L96 F98 F116 F176	Y82-I113 HydrophobicContact CD1-CD1 4.22Å; Y82-I113 HydrophobicContact CE1-CD1 3.81Å; L96-I113 HydrophobicContact CB-CB 4.41Å; L96-I113 HydrophobicContact CD2-CB 4.22Å; L96-I113 HydrophobicContact CD2-CD1 3.55Å; L96-I113 HydrophobicContact CD2-CG1 4.33Å; L96-I113 HydrophobicContact CD2-CG2 4.5Å; L96-I113 HydrophobicContact CG-CB 4.38Å; L96-I113 HydrophobicContact CG-CD1 3.91Å; L96-I113 HydrophobicContact CG-CG1 4.39Å; L96-I113 PolarHBondContact O-N 3.2Å; F98-I113 HydrophobicContact CD1-CD1 3.59Å; F98-I113 HydrophobicContact CD1-CG1 3.59Å; F98-I113 HydrophobicContact CE1-CD1 4.13Å; F98-I113 HydrophobicContact CE1-CG1 3.9Å; I113-F116 HydrophobicContact CG2-CB 4.41Å; I113-F116 HydrophobicContact CG2-CD1 4.06Å; I113-F116 WeakPolarHBondContact O-CE1 3.39Å; I113-F176 HydrophobicContact CD1-CE1 3.87Å; I113-F176 HydrophobicContact CD1-CZ 3.88Å; I113-F176 HydrophobicContact CG2-CE2 4.38Å; I113-F176 HydrophobicContact CG2-CZ 3.94Å
114	T	96.1	Very high	95.2	Very high	92 Å²	92	68 Å²	68	56%	0.564	35%	0.348	S	S	*	.			trans	-112.5	-29.6	178	53.8	0	0	0	0	112.9	K112 F116	K112-T114 HydrophobicContact CB-CG2 4.45Å; K112-T114 HydrophobicContact CD-CG2 3.83Å; K112-T114 HydrophobicContact CG-CG2 3.92Å; K112-T114 PolarHBondContact O-N 2.7Å; K112-T114 VanDerWaalsContact O-N 3.12Å; T114-F116 PolarHBondContact O-N 3.4Å
115	N	94.4	Very high	95.8	Very high	133 Å²	133	55.8 Å²	55.8	71%	0.711	30%	0.303	S	S	*	.	S	Bend	trans	-91.7	80.6	178.1	-169.7	37.9	0	0	0	110.2	Q181	N115-Q181 PolarHBondContact O-OE1 3.45Å; N115-Q181 VanDerWaalsContact O-OE1 3.1Å
116	F	96.5	Very high	96.2	Very high	68 Å²	68	51.9 Å²	51.9	30%	0.298	28%	0.28	S	S	.	.			trans	-129.2	157.7	175.1	57.2	-106.1	0	0	0	110.8	I113 T114 P120 F176 Q181 W183	I113-F116 HydrophobicContact CG2-CB 4.41Å; I113-F116 HydrophobicContact CG2-CD1 4.06Å; I113-F116 WeakPolarHBondContact O-CE1 3.39Å; T114-F116 PolarHBondContact O-N 3.4Å; F116-P120 HydrophobicContact CE2-CG 4.15Å; F116-P120 HydrophobicContact CZ-CG 4.06Å; F116-F176 HydrophobicContact CB-CE2 4.2Å; F116-Q181 CarbonylContact C-O 3.56Å; F116-Q181 WeakPolarHBondContact CA-O 3.41Å; F116-Q181 WeakPolarHBondContact CB-O 3.31Å; F116-W183 AromaticContact CD2-CD1 3.57Å; F116-W183 AromaticContact CE2-CD1 3.97Å; F116-W183 AromaticContact CG-CD1 3.77Å
117	E	97.6	Very high	96.8	Very high	138 Å²	138	51.4 Å²	51.4	65%	0.645	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	158.8	170.5	-67.1	-176.2	176.9	0	0	111.2	Q181 T182 W183	E117-Q181 PolarHBondContact N-O 3.19Å; E117-T182 HydrophobicContact CB-CG2 3.95Å; E117-T182 WeakPolarHBondContact O-CA 3.31Å; E117-W183 PolarHBondContact O-N 3Å
118	G	96.2	Very high	97	Very high	41 Å²	41	49.5 Å²	49.5	42%	0.423	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	81.6	-167.3	177.4	0	0	0	0	0	114.4	W183	G118-W183 WeakPolarHBondContact CA-O 3.36Å
119	Q	94.5	Very high	97.1	Very high	155 Å²	155	49.9 Å²	49.9	72%	0.724	26%	0.264	S	S	*	.			trans	-114.1	119	-173.5	-65.7	-61.4	-32.6	0	0	110.7	W183	Q119-W183 WeakPolarHBondContact O-CB 3.48Å
120	P	95.7	Very high	97.1	Very high	27 Å²	27	46 Å²	46	18%	0.175	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-71.5	164	175.5	32.1	-35	0	0	0	110.6	F116 W183	F116-P120 HydrophobicContact CE2-CG 4.15Å; F116-P120 HydrophobicContact CZ-CG 4.06Å; P120-W183 HydrophobicContact CB-CD2 4.2Å; P120-W183 HydrophobicContact CB-CG 4.21Å
121	P	95.5	Very high	97.1	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-56.9	155.9	169.9	-13.2	22	0	0	0	111.6	F84 N94 H174 W183	F84-P121 HydrophobicContact CE1-CB 4.08Å; F84-P121 HydrophobicContact CE1-CG 3.82Å; F84-P121 HydrophobicContact CE2-CG 4.09Å; F84-P121 HydrophobicContact CZ-CB 3.67Å; F84-P121 HydrophobicContact CZ-CG 3.37Å; N94-P121 WeakPolarHBondContact CB-O 3.28Å; N94-P121 PolarHBondContact ND2-O 3.04Å; P121-H174 HydrophobicContact CG-CB 3.65Å; P121-W183 HydrophobicContact CG-CH2 4.28Å; P121-W183 HydrophobicContact CG-CZ3 3.96Å
122	T	95.7	Very high	97.1	Very high	19 Å²	19	45.5 Å²	45.5	12%	0.117	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-65.1	158.1	171	61.6	0	0	0	0	111.3	R124 C144 R145 H170	T122-R124 WeakPolarHBondContact O-CG 3.47Å; T122-R124 PolarHBondContact O-N 3.06Å; T122-R124 PolarHBondContact O-NE 3.35Å; T122-R124 PolarHBondContact OG1-NH2 2.85Å; T122-C144 WeakPolarHBondContact CB-O 3.33Å; T122-C144 PolarHBondContact OG1-O 3.08Å; T122-R145 HydrophobicContact CG2-CG 4.14Å; T122-H170 PolarHBondContact OG1-NE2 3.04Å
123	P	96.9	Very high	96.9	Very high	35 Å²	35	48.4 Å²	48.4	23%	0.227	26%	0.257	C	S	.	.	S	Bend	trans	-56.5	127.2	-179	-25.5	35.2	0	0	0	113.3	Y92 S93 N94 G143 C144	Y92-P123 WeakPolarHBondContact O-CB 3.44Å; S93-P123 CarbonylContact O-C 3.58Å; S93-P123 VanDerWaalsContact O-CA 3.26Å; S93-P123 WeakPolarHBondContact O-CA 3.34Å; N94-P123 HydrophobicContact CB-CB 4.41Å; N94-P123 HydrophobicContact CB-CG 4.15Å; P123-G143 VanDerWaalsContact O-CA 3.26Å; P123-G143 WeakPolarHBondContact O-CA 3.39Å; P123-C144 PolarHBondContact O-N 3.43Å; P123-C144 VanDerWaalsContact O-N 3.09Å
124	R	97.8	Very high	96.8	Very high	3 Å²	3	49.8 Å²	49.8	1%	0.011	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	162	-173.4	65.1	-170.6	73.4	-179.7	2.8	113.2	F84 G85 G86 S93 T122 L127 G140 Y142 H170 D172	F84-R124 HydrophobicContact CE1-CG 4.36Å; G85-R124 CarbonylContact C-O 3.57Å; G85-R124 WeakPolarHBondContact CA-O 3.47Å; G86-R124 PolarHBondContact N-O 2.75Å; S93-R124 PolarHBondContact O-N 3.38Å; T122-R124 WeakPolarHBondContact O-CG 3.47Å; T122-R124 PolarHBondContact O-N 3.06Å; T122-R124 PolarHBondContact O-NE 3.35Å; T122-R124 PolarHBondContact OG1-NH2 2.85Å; R124-L127 HydrophobicContact CG-CD2 4.05Å; R124-G140 VanDerWaalsContact CD-O 3.27Å; R124-G140 WeakPolarHBondContact CD-O 3.14Å; R124-G140 PolarHBondContact NH1-O 3.2Å; R124-Y142 CarbonylContact C-O 3.56Å; R124-Y142 WeakPolarHBondContact CA-O 3.26Å; R124-Y142 VanDerWaalsContact CB-O 3.3Å; R124-Y142 WeakPolarHBondContact CB-O 3.47Å; R124-H170 VanDerWaalsContact CZ-CD2 3.45Å; R124-H170 PolarHBondContact NH2-CD2 3.38Å; R124-H170 VanDerWaalsContact NH2-CD2 3.27Å; R124-H170 PolarHBondContact NH2-NE2 2.87Å; R124-D172 IonicContact CZ-OD1 2.78Å; R124-D172 IonicContact CZ-OD2 2.69Å; R124-D172 VanDerWaalsContact NH1-CG 3.32Å; R124-D172 IonicContact NH1-OD1 3.36Å; R124-D172 PolarHBondContact NH1-OD1 3.48Å; R124-D172 IonicContact NH1-OD2 2.9Å; R124-D172 PolarHBondContact NH1-OD2 2.82Å; R124-D172 IonicContact NH2-OD1 3.48Å; R124-D172 IonicContact NH2-OD2 3.64Å; R124-D172 PolarHBondContact NH2-OD2 3.45Å
125	D	98.3	Very high	96.9	Very high	2 Å²	2	49 Å²	49	1%	0.011	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	-178.9	173.7	83.1	-18.3	0	0	0	111.2	Y92 L127 G141 Y142	Y92-D125 HydrophobicContact CD1-CB 4.23Å; Y92-D125 HydrophobicContact CE1-CB 4.35Å; D125-L127 PolarHBondContact O-N 3.04Å; D125-G141 CarbonylContact O-C 3.52Å; D125-G141 WeakPolarHBondContact O-CA 3.49Å; D125-Y142 PolarHBondContact N-O 3.15Å; D125-Y142 PolarHBondContact O-N 3.39Å
126	K	98.3	Very high	97.1	Very high	42 Å²	42	42.7 Å²	42.7	18%	0.183	22%	0.217	C	C	.	.	S	Bend	trans	52.8	28.9	173.7	-64.4	179.5	-65.5	-76.3	0	113.1	G71 A198 A199 W250 W301	G71-K126 PolarHBondContact O-N 2.97Å; K126-A198 HydrophobicContact CB-CB 4.11Å; K126-A198 CarbonylContact O-C 3.58Å; K126-A199 HydrophobicContact CB-CB 4.43Å; K126-A199 HydrophobicContact CD-CB 4.45Å; K126-A199 PolarHBondContact O-N 2.9Å; K126-W250 HydrophobicContact CD-CZ2 4.41Å; K126-W301 HydrophobicContact CD-CZ2 4.13Å; K126-W301 HydrophobicContact CG-CZ2 4.02Å
127	L	98.3	Very high	97.2	Very high	14 Å²	14	39.5 Å²	39.5	7%	0.073	20%	0.203	C	C	.	.			trans	-88.5	178.4	167.8	69.5	156.2	0	0	0	110.4	C73 F84 R124 D125 Y138 F139 G140	C73-L127 HydrophobicContact CB-CD1 4.33Å; C73-L127 HydrophobicContact CB-CD2 3.86Å; C73-L127 HydrophobicContact CB-CG 3.72Å; F84-L127 HydrophobicContact CD1-CD1 3.81Å; F84-L127 HydrophobicContact CD1-CD2 4.35Å; F84-L127 HydrophobicContact CE1-CD1 3.98Å; R124-L127 HydrophobicContact CG-CD2 4.05Å; D125-L127 PolarHBondContact O-N 3.04Å; L127-Y138 HydrophobicContact CD1-CD1 3.64Å; L127-Y138 HydrophobicContact CD1-CG 4.12Å; L127-F139 WeakPolarHBondContact CB-O 3.44Å; L127-G140 WeakPolarHBondContact CB-O 3.36Å
128	S	97.4	Very high	97.3	Very high	6 Å²	6	33 Å²	33	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	164.3	174.4	65	0	0	0	0	111.4	C73 F139 H200 C202	C73-S128 VanDerWaalsContact SG-C 3.55Å; C73-S128 VanDerWaalsContact SG-CA 3.59Å; S128-F139 PolarHBondContact N-O 3.38Å; S128-F139 PolarHBondContact O-N 3.14Å; S128-H200 PolarHBondContact OG-CD2 3.47Å; S128-H200 PolarHBondContact OG-NE2 3.36Å; S128-C202 VanDerWaalsContact OG-CB 3.27Å; S128-C202 WeakPolarHBondContact OG-CB 3.5Å; S128-C202 PolarHBondContact OG-SG 3.36Å
129	C	98.3	Very high	97.4	Very high	22 Å²	22	31.1 Å²	31.1	15%	0.149	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.6	-172.5	179.3	0	0	0	0	110.8	C73 A75 I137 Y138	C73-C129 VanDerWaalsContact SG-CB 3.51Å; A75-C129 HydrophobicContact CB-CB 4.21Å; C129-I137 CarbonylContact C-O 3.59Å; C129-I137 WeakPolarHBondContact CA-O 3.23Å; C129-Y138 HydrophobicContact CB-CD1 3.83Å; C129-Y138 HydrophobicContact CB-CE1 3.81Å
130	W	98.6	Very high	97.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.2	161.1	-55.7	-67.8	0	0	0	109.4	I137 F139 C202 V204 G209 Y210 I211 L227 L229 W234	W130-I137 HydrophobicContact CB-CB 4.24Å; W130-I137 HydrophobicContact CE3-CB 4.08Å; W130-I137 HydrophobicContact CE3-CG2 3.65Å; W130-I137 HydrophobicContact CZ3-CG2 4.13Å; W130-I137 PolarHBondContact N-O 3.15Å; W130-I137 PolarHBondContact O-N 2.94Å; W130-F139 HydrophobicContact CH2-CB 3.59Å; W130-F139 HydrophobicContact CH2-CD2 4.15Å; W130-F139 AromaticContact CH2-CG 3.86Å; W130-F139 HydrophobicContact CH2-CG 3.86Å; W130-F139 HydrophobicContact CZ2-CB 4.46Å; W130-F139 HydrophobicContact CZ3-CB 3.63Å; W130-F139 HydrophobicContact CZ3-CG 4.31Å; W130-C202 HydrophobicContact CD2-CB 4.47Å; W130-C202 HydrophobicContact CG-CB 4.33Å; W130-C202 WeakPolarHBondContact CZ2-SG 3.33Å; W130-C202 VanDerWaalsContact NE1-CB 3.28Å; W130-C202 PolarHBondContact NE1-SG 3.26Å; W130-V204 HydrophobicContact CB-CG2 3.58Å; W130-V204 HydrophobicContact CG-CG2 3.98Å; W130-G209 VanDerWaalsContact NE1-CA 3.27Å; W130-Y210 PolarHBondContact NE1-O 3.43Å; W130-I211 HydrophobicContact CZ2-CB 4.24Å; W130-L227 HydrophobicContact CH2-CB 4.33Å; W130-L227 HydrophobicContact CH2-CD2 4.33Å; W130-L227 HydrophobicContact CZ3-CD2 3.96Å; W130-L229 HydrophobicContact CB-CD1 4.31Å; W130-L229 HydrophobicContact CD2-CD2 4.49Å; W130-L229 HydrophobicContact CE3-CD2 4.36Å; W130-W234 AromaticContact CH2-CH2 3.71Å; W130-W234 HydrophobicContact CH2-CH2 3.71Å; W130-W234 HydrophobicContact CH2-CZ2 4.35Å; W130-W234 HydrophobicContact CH2-CZ3 4.48Å; W130-W234 HydrophobicContact CZ2-CH2 4.32Å
131	V	98.1	Very high	97.7	Very high	48 Å²	48	22.5 Å²	22.5	29%	0.291	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117.8	169.5	-177.8	0	0	0	0	107.9	A75 I77 L136	A75-V131 HydrophobicContact CB-CG2 3.86Å; I77-V131 HydrophobicContact CB-CG1 3.92Å; I77-V131 HydrophobicContact CD1-CG1 3.8Å; I77-V131 HydrophobicContact CG1-CG1 3.82Å; V131-L136 HydrophobicContact CG2-CD2 4.02Å
132	Y	98.1	Very high	97.8	Very high	38 Å²	38	23.9 Å²	23.9	15%	0.149	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	124.6	-179.6	-176.7	-110.3	0	0	0	111.1	D134 R135 G206 N207 L229 D230	Y132-D134 PolarHBondContact O-N 3.35Å; Y132-R135 PolarHBondContact N-O 2.85Å; Y132-R135 VanDerWaalsContact N-O 3.14Å; Y132-R135 WeakPolarHBondContact O-CB 3.32Å; Y132-R135 PolarHBondContact O-N 2.7Å; Y132-R135 VanDerWaalsContact O-N 3.14Å; Y132-G206 WeakPolarHBondContact CE2-O 3.38Å; Y132-N207 HydrophobicContact CE2-CB 4.14Å; Y132-L229 HydrophobicContact CD1-CB 3.53Å; Y132-L229 HydrophobicContact CD1-CD1 4.22Å; Y132-L229 HydrophobicContact CD2-CB 4.46Å; Y132-L229 HydrophobicContact CD2-CD1 4.02Å; Y132-L229 HydrophobicContact CE1-CB 3.83Å; Y132-L229 HydrophobicContact CG-CB 3.89Å; Y132-L229 HydrophobicContact CG-CD1 3.69Å; Y132-L229 HydrophobicContact CG-CG 4.45Å; Y132-D230 PolarHBondContact OH-OD1 3.39Å; Y132-D230 PolarHBondContact OH-OD2 2.95Å
133	K	95.4	Very high	97.8	Very high	121 Å²	121	23 Å²	23	53%	0.526	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	-127.3	-168.2	-59.4	170.7	-178.3	157.6	0	109	I77 D230	I77-K133 WeakPolarHBondContact CD1-O 3.24Å; K133-D230 IonicContact NZ-OD1 3.41Å; K133-D230 PolarHBondContact NZ-OD1 2.8Å
134	D	95.9	Very high	97.6	Very high	40 Å²	40	22.6 Å²	22.6	21%	0.214	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	28.9	177.7	-59.5	-76.3	0	0	0	112.8	N78 Y132 T178 K179	N78-D134 PolarHBondContact ND2-OD1 3.04Å; Y132-D134 PolarHBondContact O-N 3.35Å; D134-T178 WeakPolarHBondContact O-CB 3.34Å; D134-T178 PolarHBondContact O-N 3.3Å; D134-T178 PolarHBondContact O-OG1 2.88Å; D134-K179 HydrophobicContact CB-CD 4.01Å; D134-K179 HydrophobicContact CB-CG 4.05Å; D134-K179 VanDerWaalsContact CG-CE 3.4Å; D134-K179 WeakPolarHBondContact OD2-CE 3.22Å; D134-K179 IonicContact OD2-NZ 2.87Å; D134-K179 PolarHBondContact OD2-NZ 2.81Å
135	R	98.2	Very high	97.3	Very high	77 Å²	77	23 Å²	23	29%	0.291	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139.6	-172.4	-54.1	-175	-166.8	175.3	7.1	112	Y132 I137 I175 F176 D177	Y132-R135 PolarHBondContact N-O 2.85Å; Y132-R135 VanDerWaalsContact N-O 3.14Å; Y132-R135 WeakPolarHBondContact O-CB 3.32Å; Y132-R135 PolarHBondContact O-N 2.7Å; Y132-R135 VanDerWaalsContact O-N 3.14Å; R135-I137 HydrophobicContact CB-CG1 4.22Å; R135-I175 HydrophobicContact CB-CG2 3.95Å; R135-I175 HydrophobicContact CG-CG2 4.22Å; R135-F176 WeakPolarHBondContact CA-O 3.42Å; R135-D177 IonicContact NE-OD2 3.54Å
136	L	98.6	Very high	96.8	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	119.1	167	-57.6	171.8	0	0	0	107.4	A75 I77 Y82 V131 Y138 I175 F176 T178	A75-L136 HydrophobicContact CB-CD2 3.83Å; I77-L136 HydrophobicContact CB-CD2 4.46Å; I77-L136 HydrophobicContact CG2-CD2 4.02Å; Y82-L136 HydrophobicContact CD1-CD1 3.62Å; Y82-L136 HydrophobicContact CD2-CD1 4.03Å; Y82-L136 HydrophobicContact CE1-CD1 4.25Å; Y82-L136 HydrophobicContact CG-CD1 3.5Å; Y82-L136 VanDerWaalsContact CG-CD1 3.5Å; V131-L136 HydrophobicContact CG2-CD2 4.02Å; L136-Y138 HydrophobicContact CB-CD2 4.43Å; L136-Y138 HydrophobicContact CB-CE2 3.63Å; L136-I175 WeakPolarHBondContact O-CA 3.46Å; L136-F176 HydrophobicContact CB-CB 4.38Å; L136-F176 HydrophobicContact CD1-CD1 4.23Å; L136-F176 PolarHBondContact N-O 3.5Å; L136-F176 PolarHBondContact O-N 3.36Å; L136-T178 HydrophobicContact CD1-CG2 4.23Å; L136-T178 HydrophobicContact CG-CG2 4.17Å
137	I	98.8	Very high	96.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	102.5	-173.5	-48.7	168	0	0	0	108	C129 W130 R135 V173 H174 I175 L229 W232	C129-I137 CarbonylContact C-O 3.59Å; C129-I137 WeakPolarHBondContact CA-O 3.23Å; W130-I137 HydrophobicContact CB-CB 4.24Å; W130-I137 HydrophobicContact CE3-CB 4.08Å; W130-I137 HydrophobicContact CE3-CG2 3.65Å; W130-I137 HydrophobicContact CZ3-CG2 4.13Å; W130-I137 PolarHBondContact N-O 3.15Å; W130-I137 PolarHBondContact O-N 2.94Å; R135-I137 HydrophobicContact CB-CG1 4.22Å; I137-V173 HydrophobicContact CG2-CG1 3.69Å; I137-H174 CarbonylContact C-O 3.5Å; I137-H174 WeakPolarHBondContact CA-O 3.33Å; I137-I175 HydrophobicContact CG1-CG1 4.26Å; I137-I175 HydrophobicContact CG2-CG1 4.05Å; I137-L229 HydrophobicContact CD1-CD1 4.35Å; I137-L229 HydrophobicContact CD1-CD2 4.01Å; I137-W232 HydrophobicContact CD1-CH2 3.78Å; I137-W232 HydrophobicContact CD1-CZ3 4.1Å; I137-W232 HydrophobicContact CG1-CH2 4.39Å; I137-W232 HydrophobicContact CG2-CZ3 4.13Å
138	Y	98.6	Very high	95.3	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	139.6	-175.8	-63.8	-80.8	0	0	0	111.2	C73 F84 L127 C129 L136 V173 H174 F176 W183	C73-Y138 HydrophobicContact CB-CD1 4.45Å; C73-Y138 HydrophobicContact CB-CE1 4.22Å; F84-Y138 HydrophobicContact CB-CD1 4.39Å; F84-Y138 HydrophobicContact CB-CE1 3.56Å; F84-Y138 HydrophobicContact CB-CE2 4.46Å; F84-Y138 WeakPolarHBondContact CB-OH 3.38Å; F84-Y138 HydrophobicContact CD1-CD1 4.12Å; F84-Y138 HydrophobicContact CD1-CE1 4.13Å; F84-Y138 HydrophobicContact CG-CD1 4.43Å; F84-Y138 HydrophobicContact CG-CE1 4.02Å; L127-Y138 HydrophobicContact CD1-CD1 3.64Å; L127-Y138 HydrophobicContact CD1-CG 4.12Å; C129-Y138 HydrophobicContact CB-CD1 3.83Å; C129-Y138 HydrophobicContact CB-CE1 3.81Å; L136-Y138 HydrophobicContact CB-CD2 4.43Å; L136-Y138 HydrophobicContact CB-CE2 3.63Å; Y138-V173 WeakPolarHBondContact O-CA 3.11Å; Y138-H174 PolarHBondContact N-O 3.49Å; Y138-H174 PolarHBondContact O-N 2.97Å; Y138-F176 HydrophobicContact CE2-CB 4.46Å; Y138-W183 AromaticContact CD2-CH2 3.6Å; Y138-W183 HydrophobicContact CD2-CH2 3.6Å; Y138-W183 AromaticContact CD2-CZ3 3.59Å; Y138-W183 HydrophobicContact CD2-CZ3 3.59Å; Y138-W183 AromaticContact CE2-CH2 3.42Å; Y138-W183 HydrophobicContact CE2-CH2 3.42Å; Y138-W183 VanDerWaalsContact CE2-CH2 3.42Å; Y138-W183 HydrophobicContact CE2-CZ2 4.49Å; Y138-W183 AromaticContact CE2-CZ3 3.84Å; Y138-W183 HydrophobicContact CE2-CZ3 3.84Å
139	F	98.5	Very high	94.5	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133.9	175.8	176.8	-89.6	0	0	0	112	L127 S128 W130 N171 V173 P194 R197 H200 I211 W234	L127-F139 WeakPolarHBondContact CB-O 3.44Å; S128-F139 PolarHBondContact N-O 3.38Å; S128-F139 PolarHBondContact O-N 3.14Å; W130-F139 HydrophobicContact CH2-CB 3.59Å; W130-F139 HydrophobicContact CH2-CD2 4.15Å; W130-F139 AromaticContact CH2-CG 3.86Å; W130-F139 HydrophobicContact CH2-CG 3.86Å; W130-F139 HydrophobicContact CZ2-CB 4.46Å; W130-F139 HydrophobicContact CZ3-CB 3.63Å; W130-F139 HydrophobicContact CZ3-CG 4.31Å; F139-N171 HydrophobicContact CE2-CB 3.86Å; F139-N171 WeakPolarHBondContact CE2-O 3.33Å; F139-N171 HydrophobicContact CZ-CB 3.65Å; F139-V173 HydrophobicContact CD2-CG2 3.83Å; F139-P194 HydrophobicContact CE1-CG 4.22Å; F139-P194 HydrophobicContact CE2-CG 4.27Å; F139-P194 HydrophobicContact CZ-CB 4.31Å; F139-P194 HydrophobicContact CZ-CG 3.63Å; F139-R197 HydrophobicContact CE1-CG 3.96Å; F139-H200 AromaticContact CD1-CE1 3.84Å; F139-H200 AromaticContact CD1-NE2 3.55Å; F139-H200 PolarHBondContact O-CE1 3.02Å; F139-H200 VanDerWaalsContact O-CE1 3.22Å; F139-H200 PolarHBondContact O-NE2 2.99Å; F139-H200 VanDerWaalsContact O-NE2 3.16Å; F139-I211 HydrophobicContact CD1-CD1 3.27Å; F139-I211 HydrophobicContact CE1-CD1 3.13Å; F139-I211 HydrophobicContact CG-CD1 4.34Å; F139-I211 HydrophobicContact CZ-CD1 4.11Å; F139-W234 AromaticContact CD2-CH2 3.95Å; F139-W234 HydrophobicContact CD2-CH2 3.95Å; F139-W234 AromaticContact CD2-CZ2 3.81Å; F139-W234 HydrophobicContact CD2-CZ2 3.81Å; F139-W234 AromaticContact CE2-CH2 3.77Å; F139-W234 HydrophobicContact CE2-CH2 3.77Å; F139-W234 AromaticContact CE2-CZ2 3.57Å; F139-W234 HydrophobicContact CE2-CZ2 3.57Å; F139-W234 HydrophobicContact CZ-CH2 4.32Å; F139-W234 HydrophobicContact CZ-CZ2 4.46Å
140	G	97.8	Very high	93.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.197	C	C	.	.			trans	67.3	-143.4	169.6	0	0	0	0	0	115.2	R124 L127 H170 D172	R124-G140 VanDerWaalsContact CD-O 3.27Å; R124-G140 WeakPolarHBondContact CD-O 3.14Å; R124-G140 PolarHBondContact NH1-O 3.2Å; L127-G140 WeakPolarHBondContact CB-O 3.36Å; G140-H170 WeakPolarHBondContact CA-O 3.34Å; G140-D172 PolarHBondContact N-O 2.86Å
141	G	98.1	Very high	92.5	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.			trans	106.8	168.8	-175.6	0	0	0	0	0	113.6	D125 W169 H170 R197	D125-G141 CarbonylContact O-C 3.52Å; D125-G141 WeakPolarHBondContact O-CA 3.49Å; G141-W169 WeakPolarHBondContact O-CA 3.43Å; G141-H170 PolarHBondContact O-N 3.33Å; G141-H170 PolarHBondContact O-ND1 2.95Å; G141-R197 PolarHBondContact N-O 2.87Å
142	Y	97.8	Very high	91.6	Very high	30 Å²	30	52 Å²	52	12%	0.118	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	133	173.7	-172.8	-90.8	0	0	0	108.8	Y92 R124 D125 H157 W167 G168 W169	Y92-Y142 AromaticContact CE1-CD1 3.99Å; Y92-Y142 HydrophobicContact CE1-CD1 3.99Å; Y92-Y142 WeakPolarHBondContact CE1-O 3.44Å; Y92-Y142 AromaticContact CZ-CD1 3.72Å; Y92-Y142 AromaticContact CZ-CE1 3.93Å; Y92-Y142 WeakPolarHBondContact OH-CD1 3.35Å; Y92-Y142 WeakPolarHBondContact OH-CE1 3.15Å; R124-Y142 CarbonylContact C-O 3.56Å; R124-Y142 WeakPolarHBondContact CA-O 3.26Å; R124-Y142 VanDerWaalsContact CB-O 3.3Å; R124-Y142 WeakPolarHBondContact CB-O 3.47Å; D125-Y142 PolarHBondContact N-O 3.15Å; D125-Y142 PolarHBondContact O-N 3.39Å; Y142-H157 HydrophobicContact CE2-CB 4.04Å; Y142-H157 PolarHBondContact OH-ND1 2.84Å; Y142-W167 HydrophobicContact CE1-CB 4.3Å; Y142-G168 WeakPolarHBondContact CA-O 3.38Å; Y142-G168 WeakPolarHBondContact CD2-O 3.43Å; Y142-W169 AromaticContact CD2-CD1 3.78Å; Y142-W169 AromaticContact CD2-CD2 3.99Å; Y142-W169 HydrophobicContact CD2-CD2 3.99Å; Y142-W169 AromaticContact CD2-CE2 3.72Å; Y142-W169 HydrophobicContact CD2-CG 4.05Å; Y142-W169 HydrophobicContact CD2-CZ2 4.23Å; Y142-W169 AromaticContact CD2-NE1 3.59Å; Y142-W169 HydrophobicContact CE2-CD2 4.25Å; Y142-W169 AromaticContact CE2-CE2 3.99Å; Y142-W169 HydrophobicContact CE2-CH2 4.41Å; Y142-W169 HydrophobicContact CE2-CZ2 4.1Å
143	G	96.1	Very high	90.8	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	-165.9	-174.2	0	0	0	0	0	112.1	P123 W167 G168	P123-G143 VanDerWaalsContact O-CA 3.26Å; P123-G143 WeakPolarHBondContact O-CA 3.39Å; G143-W167 WeakPolarHBondContact O-CA 3.19Å; G143-G168 PolarHBondContact N-O 3.07Å; G143-G168 PolarHBondContact O-N 3.44Å
144	C	92.8	Very high	90.5	Very high	27 Å²	27	46 Å²	46	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	154.5	-175	64.4	0	0	0	0	113.5	T122 P123 I165 F166 W167	T122-C144 WeakPolarHBondContact CB-O 3.33Å; T122-C144 PolarHBondContact OG1-O 3.08Å; P123-C144 PolarHBondContact O-N 3.43Å; P123-C144 VanDerWaalsContact O-N 3.09Å; C144-I165 HydrophobicContact CB-CG2 3.74Å; C144-F166 CarbonylContact C-O 3.56Å; C144-F166 VanDerWaalsContact CA-O 3.23Å; C144-F166 WeakPolarHBondContact CA-O 3.17Å; C144-W167 HydrophobicContact CB-CG 4.35Å
145	R	91.3	Very high	90.2	Very high	12 Å²	12	46.4 Å²	46.4	5%	0.045	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	148.8	169.3	-69.9	-167.9	167.2	-122.7	1.9	109.9	T122 E149 L150 F154 F166 H170 D172	T122-R145 HydrophobicContact CG2-CG 4.14Å; R145-E149 HydrophobicContact CB-CB 4.38Å; R145-E149 PolarHBondContact NH1-O 2.82Å; R145-L150 HydrophobicContact CB-CD2 4.35Å; R145-F154 HydrophobicContact CB-CE1 4.47Å; R145-F154 HydrophobicContact CB-CZ 4.36Å; R145-F154 HydrophobicContact CG-CD2 4.19Å; R145-F154 HydrophobicContact CG-CE2 4.08Å; R145-F154 HydrophobicContact CG-CZ 4.28Å; R145-F166 PolarHBondContact N-O 2.95Å; R145-F166 PolarHBondContact O-N 2.85Å; R145-H170 PolarHBondContact NE-CD2 3.14Å; R145-H170 PolarHBondContact NE-NE2 2.93Å; R145-H170 VanDerWaalsContact NE-NE2 3.18Å; R145-D172 IonicContact CZ-OD2 2.85Å; R145-D172 IonicContact NH2-OD2 3.7Å; R145-D172 PolarHBondContact NH2-OD2 3.24Å
146	R	87.7	Confident	89.9	Confident	150 Å²	150	46.1 Å²	46.1	57%	0.566	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	156	167.1	-64.1	-179.1	-72.3	178.9	-1.7	110	S148 E149 Q164	R146-S148 PolarHBondContact O-N 2.96Å; R146-S148 VanDerWaalsContact O-N 3.14Å; R146-E149 HydrophobicContact CB-CG 4.22Å; R146-E149 WeakPolarHBondContact CB-OE2 3.29Å; R146-E149 IonicContact CZ-OE1 2.76Å; R146-E149 PolarHBondContact N-OE2 2.85Å; R146-E149 IonicContact NE-OE1 2.81Å; R146-E149 PolarHBondContact NE-OE1 2.81Å; R146-E149 IonicContact NE-OE2 3.57Å; R146-E149 IonicContact NH2-OE1 3.83Å; R146-E149 PolarHBondContact NH2-OE1 2.82Å; R146-E149 WeakPolarHBondContact O-CA 3.3Å; R146-E149 WeakPolarHBondContact O-CB 3.27Å; R146-E149 PolarHBondContact O-N 3.3Å; R146-Q164 WeakPolarHBondContact CA-O 3.25Å
147	H	83.4	Confident	89.5	Confident	102 Å²	102	50.5 Å²	50.5	47%	0.472	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-49.6	-42.5	177.6	-171.5	57.7	0	0	0	113.4	E149 L150 Q164 F166	H147-E149 PolarHBondContact O-N 3.05Å; H147-L150 WeakPolarHBondContact O-CG 3.36Å; H147-L150 PolarHBondContact O-N 2.96Å; H147-Q164 HydrophobicContact CB-CB 4.17Å; H147-Q164 PolarHBondContact N-O 3.01Å; H147-F166 HydrophobicContact CB-CD2 4.46Å; H147-F166 HydrophobicContact CB-CE2 3.75Å; H147-F166 AromaticContact ND1-CE2 3.71Å; H147-F166 AromaticContact ND1-CZ 3.81Å
148	S	81.1	Confident	89.1	Confident	104 Å²	104	55 Å²	55	73%	0.727	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-68.6	-12.1	179.4	59.2	0	0	0	0	114.7	R146	R146-S148 PolarHBondContact O-N 2.96Å; R146-S148 VanDerWaalsContact O-N 3.14Å
149	E	81.4	Confident	88.8	Confident	48 Å²	48	55.9 Å²	55.9	22%	0.224	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-106.2	1.8	-176	-61.1	167.4	164	0	0	112.2	R145 R146 H147 Q151	R145-E149 HydrophobicContact CB-CB 4.38Å; R145-E149 PolarHBondContact NH1-O 2.82Å; R146-E149 HydrophobicContact CB-CG 4.22Å; R146-E149 WeakPolarHBondContact CB-OE2 3.29Å; R146-E149 IonicContact CZ-OE1 2.76Å; R146-E149 PolarHBondContact N-OE2 2.85Å; R146-E149 IonicContact NE-OE1 2.81Å; R146-E149 PolarHBondContact NE-OE1 2.81Å; R146-E149 IonicContact NE-OE2 3.57Å; R146-E149 IonicContact NH2-OE1 3.83Å; R146-E149 PolarHBondContact NH2-OE1 2.82Å; R146-E149 WeakPolarHBondContact O-CA 3.3Å; R146-E149 WeakPolarHBondContact O-CB 3.27Å; R146-E149 PolarHBondContact O-N 3.3Å; H147-E149 PolarHBondContact O-N 3.05Å; E149-Q151 PolarHBondContact O-N 3.27Å
150	L	78.9	Confident	88.4	Confident	62 Å²	62	57.2 Å²	57.2	33%	0.325	30%	0.298	S	S	.	.			trans	-64.8	131.3	177.4	-66.3	175.1	0	0	0	109.9	R145 H147 F154 V156 F166	R145-L150 HydrophobicContact CB-CD2 4.35Å; H147-L150 WeakPolarHBondContact O-CG 3.36Å; H147-L150 PolarHBondContact O-N 2.96Å; L150-F154 HydrophobicContact CD2-CD1 3.58Å; L150-F154 HydrophobicContact CD2-CE1 3.81Å; L150-V156 HydrophobicContact CD2-CG2 4.4Å; L150-F166 HydrophobicContact CD1-CD2 4.21Å; L150-F166 HydrophobicContact CD1-CE2 4.34Å; L150-F166 HydrophobicContact CD1-CG 4.36Å; L150-F166 HydrophobicContact CD2-CB 4.21Å; L150-F166 HydrophobicContact CD2-CG 4.33Å
151	Q	77.1	Confident	87.9	Confident	103 Å²	103	66.4 Å²	66.4	48%	0.481	33%	0.333	S	S	.	.			trans	-140.6	164	-178.8	-69.2	175.3	4.7	0	0	107.9	E149 C153 F154	E149-Q151 PolarHBondContact O-N 3.27Å; Q151-C153 PolarHBondContact O-N 2.81Å; Q151-F154 PolarHBondContact O-N 3.17Å
152	D	79.1	Confident	87.4	Confident	173 Å²	173	75.5 Å²	75.5	93%	0.925	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-10.2	178	-63.2	-20	0	0	0	113.6	F154	D152-F154 VanDerWaalsContact C-N 3.29Å; D152-F154 PolarHBondContact O-N 2.96Å
153	C	80.7	Confident	86.9	Confident	18 Å²	18	80.1 Å²	80.1	12%	0.122	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	15.7	178.7	71.4	0	0	0	0	114.7	Q151 H170 N171 D172	Q151-C153 PolarHBondContact O-N 2.81Å; C153-H170 WeakPolarHBondContact O-CA 3.23Å; C153-N171 WeakPolarHBondContact CA-OD1 3.47Å; C153-N171 WeakPolarHBondContact CB-OD1 3.14Å; C153-N171 PolarHBondContact O-N 3.16Å; C153-N171 VanDerWaalsContact O-N 3.08Å; C153-N171 PolarHBondContact O-OD1 3.06Å; C153-D172 HydrophobicContact CB-CB 4.33Å
154	F	89.3	Confident	86.6	Confident	15 Å²	15	85.6 Å²	85.6	7%	0.066	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	120.9	-172.8	-174	-106.5	0	0	0	112.7	R145 L150 Q151 D152 V156 F166 G168 W169 H170	R145-F154 HydrophobicContact CB-CE1 4.47Å; R145-F154 HydrophobicContact CB-CZ 4.36Å; R145-F154 HydrophobicContact CG-CD2 4.19Å; R145-F154 HydrophobicContact CG-CE2 4.08Å; R145-F154 HydrophobicContact CG-CZ 4.28Å; L150-F154 HydrophobicContact CD2-CD1 3.58Å; L150-F154 HydrophobicContact CD2-CE1 3.81Å; Q151-F154 PolarHBondContact O-N 3.17Å; D152-F154 VanDerWaalsContact C-N 3.29Å; D152-F154 PolarHBondContact O-N 2.96Å; F154-V156 HydrophobicContact CD1-CG2 3.87Å; F154-V156 HydrophobicContact CE1-CB 4.48Å; F154-V156 HydrophobicContact CE1-CG2 3.79Å; F154-F166 HydrophobicContact CE1-CB 4.02Å; F154-F166 WeakPolarHBondContact CZ-O 3.35Å; F154-G168 VanDerWaalsContact CE2-C 3.47Å; F154-G168 VanDerWaalsContact CZ-CA 3.47Å; F154-G168 VanDerWaalsContact CZ-N 3.3Å; F154-W169 VanDerWaalsContact CA-O 3.29Å; F154-W169 WeakPolarHBondContact CA-O 3.44Å; F154-W169 WeakPolarHBondContact CD2-O 3.4Å; F154-H170 AromaticContact CD2-CD2 3.64Å; F154-H170 AromaticContact CD2-CE1 3.68Å; F154-H170 AromaticContact CD2-CG 3.98Å; F154-H170 AromaticContact CD2-ND1 3.99Å; F154-H170 AromaticContact CD2-NE2 3.46Å; F154-H170 WeakPolarHBondContact CD2-NE2 3.14Å; F154-H170 AromaticContact CE2-CE1 3.41Å; F154-H170 VanDerWaalsContact CE2-CE1 3.41Å; F154-H170 WeakPolarHBondContact CE2-CE1 3.39Å; F154-H170 AromaticContact CE2-ND1 3.96Å; F154-H170 AromaticContact CE2-NE2 3.54Å
155	D	89.8	Confident	86.5	Confident	50 Å²	50	86.5 Å²	86.5	27%	0.267	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	110.2	174.1	-74.9	-21.2	0	0	0	109.6	H157 G168 W169 P196 L217	D155-H157 PolarHBondContact O-N 3Å; D155-G168 CarbonylContact O-C 3.58Å; D155-G168 WeakPolarHBondContact O-CA 3.48Å; D155-W169 HydrophobicContact CB-CE3 4.38Å; D155-W169 PolarHBondContact N-O 3.37Å; D155-W169 PolarHBondContact O-N 3.4Å; D155-P196 HydrophobicContact CB-CB 3.98Å; D155-P196 HydrophobicContact CB-CG 4.23Å; D155-P196 WeakPolarHBondContact OD2-CD 3.49Å; D155-P196 WeakPolarHBondContact OD2-CG 3.22Å; D155-L217 HydrophobicContact CB-CD2 4.42Å
156	V	90.4	Very high	86.6	Confident	71 Å²	71	86.4 Å²	86.4	43%	0.43	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	129.3	179.5	-177.5	0	0	0	0	110.3	L150 F154 F166	L150-V156 HydrophobicContact CD2-CG2 4.4Å; F154-V156 HydrophobicContact CD1-CG2 3.87Å; F154-V156 HydrophobicContact CE1-CB 4.48Å; F154-V156 HydrophobicContact CE1-CG2 3.79Å; V156-F166 HydrophobicContact CG1-CB 4.44Å; V156-F166 HydrophobicContact CG1-CD1 3.98Å; V156-F166 HydrophobicContact CG2-CD1 4.39Å
157	H	91.1	Very high	87	Confident	92 Å²	92	82.2 Å²	82.2	43%	0.426	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-44.6	172	179.7	-114.3	0	0	0	111.9	Y142 D155 W167 W169	Y142-H157 HydrophobicContact CE2-CB 4.04Å; Y142-H157 PolarHBondContact OH-ND1 2.84Å; D155-H157 PolarHBondContact O-N 3Å; H157-W167 WeakPolarHBondContact CA-O 3.44Å; H157-W167 WeakPolarHBondContact CB-O 3.35Å; H157-W167 PolarHBondContact N-O 2.88Å; H157-W169 HydrophobicContact CB-CE3 4.21Å; H157-W169 HydrophobicContact CB-CH2 3.87Å; H157-W169 HydrophobicContact CB-CZ3 3.49Å; H157-W169 VanDerWaalsContact CB-CZ3 3.49Å; H157-W169 AromaticContact CD2-CH2 3.45Å; H157-W169 VanDerWaalsContact CD2-CH2 3.45Å; H157-W169 WeakPolarHBondContact CD2-CH2 3.46Å; H157-W169 AromaticContact CD2-CZ3 3.78Å; H157-W169 AromaticContact CG-CH2 3.69Å; H157-W169 AromaticContact CG-CZ3 3.83Å
158	D	90.3	Very high	87.6	Confident	93 Å²	93	77.4 Å²	77.4	50%	0.497	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	160.6	-174.1	-161.9	4.4	0	0	0	111	F166 W167	D158-F166 CarbonylContact O-C 3.57Å; D158-F166 WeakPolarHBondContact O-CA 3.18Å; D158-W167 HydrophobicContact CB-CB 4.38Å; D158-W167 HydrophobicContact CB-CE3 4.34Å; D158-W167 PolarHBondContact N-O 3.3Å; D158-W167 VanDerWaalsContact N-O 3.07Å; D158-W167 PolarHBondContact O-N 3.23Å
159	A	91.8	Very high	88.3	Confident	23 Å²	23	73 Å²	73	19%	0.19	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	136.8	-176.2	0	0	0	0	0	114.3	I165 F166	A159-I165 CarbonylContact C-O 3.6Å; A159-I165 WeakPolarHBondContact CA-O 3.34Å; A159-F166 HydrophobicContact CB-CD1 3.49Å; A159-F166 VanDerWaalsContact CB-CD1 3.49Å; A159-F166 HydrophobicContact CB-CE1 3.65Å; A159-F166 HydrophobicContact CB-CG 4.25Å
160	S	91.6	Very high	89	Confident	28 Å²	28	70.8 Å²	70.8	20%	0.196	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	102.9	164.7	175.6	0	0	0	0	108.3	E162 E163 Q164 I165	S160-E162 VanDerWaalsContact C-N 3.32Å; S160-E163 WeakPolarHBondContact OG-CB 3.42Å; S160-E163 PolarHBondContact OG-N 2.89Å; S160-Q164 VanDerWaalsContact O-CA 3.26Å; S160-Q164 WeakPolarHBondContact O-CA 3.23Å; S160-Q164 PolarHBondContact O-N 3.49Å; S160-I165 PolarHBondContact N-O 2.79Å; S160-I165 PolarHBondContact O-N 3Å
161	W	86	Confident	89.8	Confident	194 Å²	194	69 Å²	69	74%	0.735	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-28.4	-178.2	-65.5	97.9	0	0	0	113.1	F166	W161-F166 HydrophobicContact CE3-CZ 4.16Å; W161-F166 AromaticContact CH2-CE1 3.95Å; W161-F166 HydrophobicContact CH2-CE1 3.95Å; W161-F166 HydrophobicContact CH2-CZ 4.19Å; W161-F166 HydrophobicContact CZ2-CE1 4.31Å; W161-F166 HydrophobicContact CZ3-CE1 4.07Å; W161-F166 AromaticContact CZ3-CZ 3.83Å; W161-F166 HydrophobicContact CZ3-CZ 3.83Å
162	E	88.3	Confident	90.7	Very high	190 Å²	190	64.5 Å²	64.5	89%	0.888	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-46	176.5	-174.9	170.1	-167.5	0	0	111	S160 Q164	S160-E162 VanDerWaalsContact C-N 3.32Å; E162-Q164 VanDerWaalsContact C-N 3.34Å
163	E	86.7	Confident	91.6	Very high	128 Å²	128	56.8 Å²	56.8	60%	0.598	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-7.9	179.6	-58.2	179	152.5	0	0	113.1	S160 I165	S160-E163 WeakPolarHBondContact OG-CB 3.42Å; S160-E163 PolarHBondContact OG-N 2.89Å; E163-I165 VanDerWaalsContact C-N 3.26Å; E163-I165 HydrophobicContact CB-CD1 3.95Å; E163-I165 HydrophobicContact CB-CG1 3.94Å; E163-I165 PolarHBondContact O-N 2.9Å
164	Q	90.1	Very high	92.4	Very high	115 Å²	115	56.4 Å²	56.4	54%	0.537	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	38.3	-173.7	-56.7	-172.2	0.1	0	0	113.6	R146 H147 S160 E162	R146-Q164 WeakPolarHBondContact CA-O 3.25Å; H147-Q164 HydrophobicContact CB-CB 4.17Å; H147-Q164 PolarHBondContact N-O 3.01Å; S160-Q164 VanDerWaalsContact O-CA 3.26Å; S160-Q164 WeakPolarHBondContact O-CA 3.23Å; S160-Q164 PolarHBondContact O-N 3.49Å; E162-Q164 VanDerWaalsContact C-N 3.34Å
165	I	91.3	Very high	92.9	Very high	45 Å²	45	55.7 Å²	55.7	23%	0.231	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.1	178.9	-59.2	178.5	0	0	0	109.4	C144 A159 S160 E163 W167	C144-I165 HydrophobicContact CB-CG2 3.74Å; A159-I165 CarbonylContact C-O 3.6Å; A159-I165 WeakPolarHBondContact CA-O 3.34Å; S160-I165 PolarHBondContact N-O 2.79Å; S160-I165 PolarHBondContact O-N 3Å; E163-I165 VanDerWaalsContact C-N 3.26Å; E163-I165 HydrophobicContact CB-CD1 3.95Å; E163-I165 HydrophobicContact CB-CG1 3.94Å; E163-I165 PolarHBondContact O-N 2.9Å; I165-W167 HydrophobicContact CB-CH2 4.15Å; I165-W167 HydrophobicContact CB-CZ2 4.33Å; I165-W167 HydrophobicContact CG2-CD2 4.29Å; I165-W167 HydrophobicContact CG2-CH2 3.92Å; I165-W167 HydrophobicContact CG2-CZ2 3.64Å; I165-W167 HydrophobicContact CG2-CZ3 4.36Å
166	F	93.5	Very high	93.3	Very high	11 Å²	11	53.4 Å²	53.4	5%	0.048	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.2	179.7	-62.2	-100	0	0	0	109	C144 R145 H147 L150 F154 V156 D158 A159 W161	C144-F166 CarbonylContact C-O 3.56Å; C144-F166 VanDerWaalsContact CA-O 3.23Å; C144-F166 WeakPolarHBondContact CA-O 3.17Å; R145-F166 PolarHBondContact N-O 2.95Å; R145-F166 PolarHBondContact O-N 2.85Å; H147-F166 HydrophobicContact CB-CD2 4.46Å; H147-F166 HydrophobicContact CB-CE2 3.75Å; H147-F166 AromaticContact ND1-CE2 3.71Å; H147-F166 AromaticContact ND1-CZ 3.81Å; L150-F166 HydrophobicContact CD1-CD2 4.21Å; L150-F166 HydrophobicContact CD1-CE2 4.34Å; L150-F166 HydrophobicContact CD1-CG 4.36Å; L150-F166 HydrophobicContact CD2-CB 4.21Å; L150-F166 HydrophobicContact CD2-CG 4.33Å; F154-F166 HydrophobicContact CE1-CB 4.02Å; F154-F166 WeakPolarHBondContact CZ-O 3.35Å; V156-F166 HydrophobicContact CG1-CB 4.44Å; V156-F166 HydrophobicContact CG1-CD1 3.98Å; V156-F166 HydrophobicContact CG2-CD1 4.39Å; D158-F166 CarbonylContact O-C 3.57Å; D158-F166 WeakPolarHBondContact O-CA 3.18Å; A159-F166 HydrophobicContact CB-CD1 3.49Å; A159-F166 VanDerWaalsContact CB-CD1 3.49Å; A159-F166 HydrophobicContact CB-CE1 3.65Å; A159-F166 HydrophobicContact CB-CG 4.25Å; W161-F166 HydrophobicContact CE3-CZ 4.16Å; W161-F166 AromaticContact CH2-CE1 3.95Å; W161-F166 HydrophobicContact CH2-CE1 3.95Å; W161-F166 HydrophobicContact CH2-CZ 4.19Å; W161-F166 HydrophobicContact CZ2-CE1 4.31Å; W161-F166 HydrophobicContact CZ3-CE1 4.07Å; W161-F166 AromaticContact CZ3-CZ 3.83Å; W161-F166 HydrophobicContact CZ3-CZ 3.83Å
167	W	94.8	Very high	93.7	Very high	62 Å²	62	51 Å²	51	24%	0.235	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	142.3	175.4	-64.2	-91.5	0	0	0	110.7	Y92 Y142 G143 C144 H157 D158 I165	Y92-W167 AromaticContact CE2-CD1 3.59Å; Y92-W167 AromaticContact CE2-NE1 3.84Å; Y142-W167 HydrophobicContact CE1-CB 4.3Å; G143-W167 WeakPolarHBondContact O-CA 3.19Å; C144-W167 HydrophobicContact CB-CG 4.35Å; H157-W167 WeakPolarHBondContact CA-O 3.44Å; H157-W167 WeakPolarHBondContact CB-O 3.35Å; H157-W167 PolarHBondContact N-O 2.88Å; D158-W167 HydrophobicContact CB-CB 4.38Å; D158-W167 HydrophobicContact CB-CE3 4.34Å; D158-W167 PolarHBondContact N-O 3.3Å; D158-W167 VanDerWaalsContact N-O 3.07Å; D158-W167 PolarHBondContact O-N 3.23Å; I165-W167 HydrophobicContact CB-CH2 4.15Å; I165-W167 HydrophobicContact CB-CZ2 4.33Å; I165-W167 HydrophobicContact CG2-CD2 4.29Å; I165-W167 HydrophobicContact CG2-CH2 3.92Å; I165-W167 HydrophobicContact CG2-CZ2 3.64Å; I165-W167 HydrophobicContact CG2-CZ3 4.36Å
168	G	95.7	Very high	93.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.6	-176.4	-172.1	0	0	0	0	0	114.1	Y142 G143 F154 D155	Y142-G168 WeakPolarHBondContact CA-O 3.38Å; Y142-G168 WeakPolarHBondContact CD2-O 3.43Å; G143-G168 PolarHBondContact N-O 3.07Å; G143-G168 PolarHBondContact O-N 3.44Å; F154-G168 VanDerWaalsContact CE2-C 3.47Å; F154-G168 VanDerWaalsContact CZ-CA 3.47Å; F154-G168 VanDerWaalsContact CZ-N 3.3Å; D155-G168 CarbonylContact O-C 3.58Å; D155-G168 WeakPolarHBondContact O-CA 3.48Å
169	W	97	Very high	94.2	Very high	13 Å²	13	50.4 Å²	50.4	5%	0.049	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	151.5	-179.8	-63.7	-82.4	0	0	0	111.5	G141 Y142 F154 D155 H157 P196 R215 L217	G141-W169 WeakPolarHBondContact O-CA 3.43Å; Y142-W169 AromaticContact CD2-CD1 3.78Å; Y142-W169 AromaticContact CD2-CD2 3.99Å; Y142-W169 HydrophobicContact CD2-CD2 3.99Å; Y142-W169 AromaticContact CD2-CE2 3.72Å; Y142-W169 HydrophobicContact CD2-CG 4.05Å; Y142-W169 HydrophobicContact CD2-CZ2 4.23Å; Y142-W169 AromaticContact CD2-NE1 3.59Å; Y142-W169 HydrophobicContact CE2-CD2 4.25Å; Y142-W169 AromaticContact CE2-CE2 3.99Å; Y142-W169 HydrophobicContact CE2-CH2 4.41Å; Y142-W169 HydrophobicContact CE2-CZ2 4.1Å; F154-W169 VanDerWaalsContact CA-O 3.29Å; F154-W169 WeakPolarHBondContact CA-O 3.44Å; F154-W169 WeakPolarHBondContact CD2-O 3.4Å; D155-W169 HydrophobicContact CB-CE3 4.38Å; D155-W169 PolarHBondContact N-O 3.37Å; D155-W169 PolarHBondContact O-N 3.4Å; H157-W169 HydrophobicContact CB-CE3 4.21Å; H157-W169 HydrophobicContact CB-CH2 3.87Å; H157-W169 HydrophobicContact CB-CZ3 3.49Å; H157-W169 VanDerWaalsContact CB-CZ3 3.49Å; H157-W169 AromaticContact CD2-CH2 3.45Å; H157-W169 VanDerWaalsContact CD2-CH2 3.45Å; H157-W169 WeakPolarHBondContact CD2-CH2 3.46Å; H157-W169 AromaticContact CD2-CZ3 3.78Å; H157-W169 AromaticContact CG-CH2 3.69Å; H157-W169 AromaticContact CG-CZ3 3.83Å; W169-P196 HydrophobicContact CB-CB 3.8Å; W169-P196 WeakPolarHBondContact O-CB 3.45Å; W169-R215 HydrophobicContact CZ2-CG 4.2Å; W169-L217 HydrophobicContact CE3-CD2 4.02Å; W169-L217 VanDerWaalsContact CZ3-CA 3.5Å; W169-L217 HydrophobicContact CZ3-CB 4.43Å; W169-L217 HydrophobicContact CZ3-CD2 3.63Å; W169-L217 HydrophobicContact CZ3-CG 4.38Å
170	H	95.9	Very high	94.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	153.5	178.8	-60.2	80.9	0	0	0	112.1	T122 R124 G140 G141 R145 C153 F154 D172 P196 R197	T122-H170 PolarHBondContact OG1-NE2 3.04Å; R124-H170 VanDerWaalsContact CZ-CD2 3.45Å; R124-H170 PolarHBondContact NH2-CD2 3.38Å; R124-H170 VanDerWaalsContact NH2-CD2 3.27Å; R124-H170 PolarHBondContact NH2-NE2 2.87Å; G140-H170 WeakPolarHBondContact CA-O 3.34Å; G141-H170 PolarHBondContact O-N 3.33Å; G141-H170 PolarHBondContact O-ND1 2.95Å; R145-H170 PolarHBondContact NE-CD2 3.14Å; R145-H170 PolarHBondContact NE-NE2 2.93Å; R145-H170 VanDerWaalsContact NE-NE2 3.18Å; C153-H170 WeakPolarHBondContact O-CA 3.23Å; F154-H170 AromaticContact CD2-CD2 3.64Å; F154-H170 AromaticContact CD2-CE1 3.68Å; F154-H170 AromaticContact CD2-CG 3.98Å; F154-H170 AromaticContact CD2-ND1 3.99Å; F154-H170 AromaticContact CD2-NE2 3.46Å; F154-H170 WeakPolarHBondContact CD2-NE2 3.14Å; F154-H170 AromaticContact CE2-CE1 3.41Å; F154-H170 VanDerWaalsContact CE2-CE1 3.41Å; F154-H170 WeakPolarHBondContact CE2-CE1 3.39Å; F154-H170 AromaticContact CE2-ND1 3.96Å; F154-H170 AromaticContact CE2-NE2 3.54Å; H170-D172 WeakPolarHBondContact CB-OD1 3.47Å; H170-D172 IonicContact CD2-OD2 3.21Å; H170-P196 CarbonylContact O-C 3.54Å; H170-P196 VanDerWaalsContact O-CA 3.29Å; H170-P196 WeakPolarHBondContact O-CA 3.25Å; H170-R197 PolarHBondContact O-N 2.83Å
171	N	96.3	Very high	94.7	Very high	25 Å²	25	55.9 Å²	55.9	13%	0.134	26%	0.258	C	S	.	.			trans	-131.5	19.2	161.7	67.9	-5.3	0	0	0	113.4	F139 C153 P194 P196	F139-N171 HydrophobicContact CE2-CB 3.86Å; F139-N171 WeakPolarHBondContact CE2-O 3.33Å; F139-N171 HydrophobicContact CZ-CB 3.65Å; C153-N171 WeakPolarHBondContact CA-OD1 3.47Å; C153-N171 WeakPolarHBondContact CB-OD1 3.14Å; C153-N171 PolarHBondContact O-N 3.16Å; C153-N171 VanDerWaalsContact O-N 3.08Å; C153-N171 PolarHBondContact O-OD1 3.06Å; N171-P194 WeakPolarHBondContact CB-O 3.4Å; N171-P194 PolarHBondContact ND2-O 2.88Å; N171-P196 HydrophobicContact CB-CB 4.42Å; N171-P196 HydrophobicContact CB-CG 4.18Å
172	D	95.6	Very high	95.2	Very high	9 Å²	9	48 Å²	48	5%	0.048	23%	0.232	C	C	.	.			trans	-67.2	150.1	172.4	51.6	6.9	0	0	0	111.3	R124 G140 R145 C153 H170 H174	R124-D172 IonicContact CZ-OD1 2.78Å; R124-D172 IonicContact CZ-OD2 2.69Å; R124-D172 VanDerWaalsContact NH1-CG 3.32Å; R124-D172 IonicContact NH1-OD1 3.36Å; R124-D172 PolarHBondContact NH1-OD1 3.48Å; R124-D172 IonicContact NH1-OD2 2.9Å; R124-D172 PolarHBondContact NH1-OD2 2.82Å; R124-D172 IonicContact NH2-OD1 3.48Å; R124-D172 IonicContact NH2-OD2 3.64Å; R124-D172 PolarHBondContact NH2-OD2 3.45Å; G140-D172 PolarHBondContact N-O 2.86Å; R145-D172 IonicContact CZ-OD2 2.85Å; R145-D172 IonicContact NH2-OD2 3.7Å; R145-D172 PolarHBondContact NH2-OD2 3.24Å; C153-D172 HydrophobicContact CB-CB 4.33Å; H170-D172 WeakPolarHBondContact CB-OD1 3.47Å; H170-D172 IonicContact CD2-OD2 3.21Å; D172-H174 IonicContact OD2-CE1 2.89Å; D172-H174 PolarHBondContact OD2-CE1 2.91Å; D172-H174 VanDerWaalsContact OD2-CE1 3.25Å; D172-H174 IonicContact OD2-ND1 3.74Å
173	V	97.7	Very high	95.7	Very high	11 Å²	11	39.2 Å²	39.2	7%	0.067	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.2	173.8	179.2	0	0	0	0	108	I137 Y138 F139 Q185 P186 I188 L227 W234	I137-V173 HydrophobicContact CG2-CG1 3.69Å; Y138-V173 WeakPolarHBondContact O-CA 3.11Å; F139-V173 HydrophobicContact CD2-CG2 3.83Å; V173-Q185 WeakPolarHBondContact O-CG 3.41Å; V173-P186 HydrophobicContact CB-CG 4.09Å; V173-P186 HydrophobicContact CG1-CG 3.67Å; V173-P186 WeakPolarHBondContact O-CD 3.32Å; V173-I188 HydrophobicContact CG2-CD1 4.42Å; V173-L227 HydrophobicContact CG1-CD2 4.24Å; V173-L227 HydrophobicContact CG2-CD2 4.02Å; V173-W234 HydrophobicContact CG2-CZ2 4.08Å
174	H	98.1	Very high	96.3	Very high	10 Å²	10	36.5 Å²	36.5	5%	0.046	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.7	174.6	-72.4	82.2	0	0	0	110.7	P121 I137 Y138 D172 W183 Q185	P121-H174 HydrophobicContact CG-CB 3.65Å; I137-H174 CarbonylContact C-O 3.5Å; I137-H174 WeakPolarHBondContact CA-O 3.33Å; Y138-H174 PolarHBondContact N-O 3.49Å; Y138-H174 PolarHBondContact O-N 2.97Å; D172-H174 IonicContact OD2-CE1 2.89Å; D172-H174 PolarHBondContact OD2-CE1 2.91Å; D172-H174 VanDerWaalsContact OD2-CE1 3.25Å; D172-H174 IonicContact OD2-ND1 3.74Å; H174-W183 HydrophobicContact CB-CE3 4.21Å; H174-W183 HydrophobicContact CB-CZ3 4.05Å; H174-Q185 PolarHBondContact CE1-NE2 3.14Å; H174-Q185 PolarHBondContact NE2-NE2 2.71Å
175	I	98.6	Very high	96.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.2	-178.3	-59.2	165	0	0	0	108.2	R135 L136 I137 W183 F184 P186 W232	R135-I175 HydrophobicContact CB-CG2 3.95Å; R135-I175 HydrophobicContact CG-CG2 4.22Å; L136-I175 WeakPolarHBondContact O-CA 3.46Å; I137-I175 HydrophobicContact CG1-CG1 4.26Å; I137-I175 HydrophobicContact CG2-CG1 4.05Å; I175-W183 VanDerWaalsContact O-CA 3.31Å; I175-W183 WeakPolarHBondContact O-CA 3.42Å; I175-F184 HydrophobicContact CB-CD1 4.38Å; I175-F184 HydrophobicContact CB-CD2 4.36Å; I175-F184 HydrophobicContact CB-CE1 4.04Å; I175-F184 HydrophobicContact CB-CE2 4.03Å; I175-F184 HydrophobicContact CB-CZ 3.86Å; I175-F184 HydrophobicContact CD1-CD2 4.13Å; I175-F184 HydrophobicContact CD1-CE2 3.47Å; I175-F184 VanDerWaalsContact CD1-CE2 3.47Å; I175-F184 HydrophobicContact CD1-CZ 3.9Å; I175-F184 HydrophobicContact CG1-CE2 4.34Å; I175-F184 HydrophobicContact CG2-CE1 3.75Å; I175-F184 HydrophobicContact CG2-CE2 4.22Å; I175-F184 HydrophobicContact CG2-CZ 3.57Å; I175-F184 PolarHBondContact N-O 2.89Å; I175-F184 PolarHBondContact O-N 3Å; I175-P186 HydrophobicContact CD1-CB 3.69Å; I175-P186 HydrophobicContact CD1-CG 3.66Å; I175-P186 HydrophobicContact CG1-CG 4.35Å; I175-W232 HydrophobicContact CD1-CH2 3.27Å; I175-W232 HydrophobicContact CD1-CZ2 3.46Å; I175-W232 VanDerWaalsContact CD1-CZ2 3.46Å; I175-W232 HydrophobicContact CD1-CZ3 3.87Å; I175-W232 HydrophobicContact CG1-CH2 4.07Å
176	F	98.7	Very high	96.8	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.6	162.3	-174.4	-107.8	0	0	0	109	Y82 L96 I113 F116 R135 L136 Y138 T178 Q181 W183	Y82-F176 HydrophobicContact CE1-CE1 4.42Å; L96-F176 HydrophobicContact CD2-CD1 3.61Å; L96-F176 HydrophobicContact CD2-CD2 3.93Å; L96-F176 HydrophobicContact CD2-CE1 3.56Å; L96-F176 HydrophobicContact CD2-CE2 3.89Å; L96-F176 HydrophobicContact CD2-CG 3.79Å; L96-F176 HydrophobicContact CD2-CZ 3.7Å; I113-F176 HydrophobicContact CD1-CE1 3.87Å; I113-F176 HydrophobicContact CD1-CZ 3.88Å; I113-F176 HydrophobicContact CG2-CE2 4.38Å; I113-F176 HydrophobicContact CG2-CZ 3.94Å; F116-F176 HydrophobicContact CB-CE2 4.2Å; R135-F176 WeakPolarHBondContact CA-O 3.42Å; L136-F176 HydrophobicContact CB-CB 4.38Å; L136-F176 HydrophobicContact CD1-CD1 4.23Å; L136-F176 PolarHBondContact N-O 3.5Å; L136-F176 PolarHBondContact O-N 3.36Å; Y138-F176 HydrophobicContact CE2-CB 4.46Å; F176-T178 HydrophobicContact CD1-CG2 4.05Å; F176-T178 HydrophobicContact CE1-CG2 4.25Å; F176-Q181 HydrophobicContact CE2-CB 4.42Å; F176-Q181 HydrophobicContact CZ-CB 4.1Å; F176-Q181 HydrophobicContact CZ-CG 4.3Å; F176-W183 HydrophobicContact CB-CD2 3.97Å; F176-W183 HydrophobicContact CB-CE3 3.84Å; F176-W183 HydrophobicContact CB-CH2 3.84Å; F176-W183 HydrophobicContact CB-CZ2 3.93Å; F176-W183 HydrophobicContact CB-CZ3 3.78Å; F176-W183 AromaticContact CD2-CD1 3.68Å; F176-W183 AromaticContact CD2-CD2 3.74Å; F176-W183 HydrophobicContact CD2-CD2 3.74Å; F176-W183 AromaticContact CD2-CE2 3.46Å; F176-W183 VanDerWaalsContact CD2-CE2 3.46Å; F176-W183 HydrophobicContact CD2-CE3 4.46Å; F176-W183 AromaticContact CD2-CG 3.91Å; F176-W183 HydrophobicContact CD2-CG 3.91Å; F176-W183 HydrophobicContact CD2-CZ2 4.03Å; F176-W183 AromaticContact CD2-NE1 3.38Å; F176-W183 AromaticContact CE2-NE1 3.77Å; F176-W183 HydrophobicContact CG-CD2 4.31Å; F176-W183 HydrophobicContact CG-CZ2 4.15Å
177	D	97.9	Very high	96.9	Very high	21 Å²	21	41.2 Å²	41.2	11%	0.112	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	114.7	171.6	-167.8	-52	0	0	0	109.3	R135 K179 T180 Q181 T182 F184	R135-D177 IonicContact NE-OD2 3.54Å; D177-K179 PolarHBondContact O-N 2.97Å; D177-K179 WeakPolarHBondContact OD1-CB 3.33Å; D177-K179 PolarHBondContact OD1-N 3.1Å; D177-T180 PolarHBondContact OD1-N 3.31Å; D177-Q181 VanDerWaalsContact O-CA 3.28Å; D177-Q181 WeakPolarHBondContact O-CA 3.41Å; D177-Q181 PolarHBondContact O-N 3.49Å; D177-T182 PolarHBondContact N-O 3.43Å; D177-T182 PolarHBondContact O-N 2.86Å; D177-F184 HydrophobicContact CB-CE1 4.2Å
178	T	96.9	Very high	96.9	Very high	23 Å²	23	41.6 Å²	41.6	14%	0.141	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-15.8	-174.8	62.9	0	0	0	0	113.3	I77 Y82 D134 L136 F176	I77-T178 HydrophobicContact CD1-CG2 4.49Å; I77-T178 HydrophobicContact CG2-CG2 4.32Å; Y82-T178 HydrophobicContact CE1-CG2 4.39Å; D134-T178 WeakPolarHBondContact O-CB 3.34Å; D134-T178 PolarHBondContact O-N 3.3Å; D134-T178 PolarHBondContact O-OG1 2.88Å; L136-T178 HydrophobicContact CD1-CG2 4.23Å; L136-T178 HydrophobicContact CG-CG2 4.17Å; F176-T178 HydrophobicContact CD1-CG2 4.05Å; F176-T178 HydrophobicContact CE1-CG2 4.25Å
179	K	95.8	Very high	96.7	Very high	150 Å²	150	48.2 Å²	48.2	65%	0.652	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-43.3	178.2	-71.9	175.3	161.3	164	0	111.7	D134 D177	D134-K179 HydrophobicContact CB-CD 4.01Å; D134-K179 HydrophobicContact CB-CG 4.05Å; D134-K179 VanDerWaalsContact CG-CE 3.4Å; D134-K179 WeakPolarHBondContact OD2-CE 3.22Å; D134-K179 IonicContact OD2-NZ 2.87Å; D134-K179 PolarHBondContact OD2-NZ 2.81Å; D177-K179 PolarHBondContact O-N 2.97Å; D177-K179 WeakPolarHBondContact OD1-CB 3.33Å; D177-K179 PolarHBondContact OD1-N 3.1Å
180	T	96.4	Very high	96.5	Very high	85 Å²	85	49 Å²	49	52%	0.521	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-10	-178.7	67.5	0	0	0	0	113.1	D177 T182	D177-T180 PolarHBondContact OD1-N 3.31Å; T180-T182 VanDerWaalsContact C-N 3.31Å; T180-T182 WeakPolarHBondContact CB-OG1 3.39Å; T180-T182 PolarHBondContact O-N 2.88Å; T180-T182 PolarHBondContact O-OG1 2.82Å; T180-T182 WeakPolarHBondContact OG1-CB 3.48Å; T180-T182 PolarHBondContact OG1-OG1 2.97Å
181	Q	96.8	Very high	96.3	Very high	81 Å²	81	51.2 Å²	51.2	38%	0.379	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	49	-172.6	-59.6	-174.5	-13.9	0	0	111.4	N115 F116 E117 F176 D177	N115-Q181 PolarHBondContact O-OE1 3.45Å; N115-Q181 VanDerWaalsContact O-OE1 3.1Å; F116-Q181 CarbonylContact C-O 3.56Å; F116-Q181 WeakPolarHBondContact CA-O 3.41Å; F116-Q181 WeakPolarHBondContact CB-O 3.31Å; E117-Q181 PolarHBondContact N-O 3.19Å; F176-Q181 HydrophobicContact CE2-CB 4.42Å; F176-Q181 HydrophobicContact CZ-CB 4.1Å; F176-Q181 HydrophobicContact CZ-CG 4.3Å; D177-Q181 VanDerWaalsContact O-CA 3.28Å; D177-Q181 WeakPolarHBondContact O-CA 3.41Å; D177-Q181 PolarHBondContact O-N 3.49Å
182	T	98.1	Very high	96.2	Very high	29 Å²	29	54.9 Å²	54.9	18%	0.178	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.9	-176.3	-46.9	0	0	0	0	110.4	E117 D177 T180	E117-T182 HydrophobicContact CB-CG2 3.95Å; E117-T182 WeakPolarHBondContact O-CA 3.31Å; D177-T182 PolarHBondContact N-O 3.43Å; D177-T182 PolarHBondContact O-N 2.86Å; T180-T182 VanDerWaalsContact C-N 3.31Å; T180-T182 WeakPolarHBondContact CB-OG1 3.39Å; T180-T182 PolarHBondContact O-N 2.88Å; T180-T182 PolarHBondContact O-OG1 2.82Å; T180-T182 WeakPolarHBondContact OG1-CB 3.48Å; T180-T182 PolarHBondContact OG1-OG1 2.97Å
183	W	98.6	Very high	96.2	Very high	5 Å²	5	57 Å²	57	2%	0.019	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	133.3	166.7	-74.5	102	0	0	0	111	F84 L96 F116 E117 G118 Q119 P120 P121 Y138 H174 I175 F176	F84-W183 AromaticContact CD2-CH2 3.78Å; F84-W183 HydrophobicContact CD2-CH2 3.78Å; F84-W183 AromaticContact CD2-CZ2 3.84Å; F84-W183 HydrophobicContact CD2-CZ2 3.84Å; F84-W183 AromaticContact CE2-CH2 3.81Å; F84-W183 HydrophobicContact CE2-CH2 3.81Å; F84-W183 AromaticContact CE2-CZ2 3.86Å; F84-W183 HydrophobicContact CE2-CZ2 3.86Å; F84-W183 HydrophobicContact CG-CH2 4.43Å; F84-W183 HydrophobicContact CZ-CH2 4.5Å; L96-W183 HydrophobicContact CB-CZ2 4.33Å; L96-W183 HydrophobicContact CD2-CZ2 3.84Å; L96-W183 HydrophobicContact CG-CZ2 4.46Å; F116-W183 AromaticContact CD2-CD1 3.57Å; F116-W183 AromaticContact CE2-CD1 3.97Å; F116-W183 AromaticContact CG-CD1 3.77Å; E117-W183 PolarHBondContact O-N 3Å; G118-W183 WeakPolarHBondContact CA-O 3.36Å; Q119-W183 WeakPolarHBondContact O-CB 3.48Å; P120-W183 HydrophobicContact CB-CD2 4.2Å; P120-W183 HydrophobicContact CB-CG 4.21Å; P121-W183 HydrophobicContact CG-CH2 4.28Å; P121-W183 HydrophobicContact CG-CZ3 3.96Å; Y138-W183 AromaticContact CD2-CH2 3.6Å; Y138-W183 HydrophobicContact CD2-CH2 3.6Å; Y138-W183 AromaticContact CD2-CZ3 3.59Å; Y138-W183 HydrophobicContact CD2-CZ3 3.59Å; Y138-W183 AromaticContact CE2-CH2 3.42Å; Y138-W183 HydrophobicContact CE2-CH2 3.42Å; Y138-W183 VanDerWaalsContact CE2-CH2 3.42Å; Y138-W183 HydrophobicContact CE2-CZ2 4.49Å; Y138-W183 AromaticContact CE2-CZ3 3.84Å; Y138-W183 HydrophobicContact CE2-CZ3 3.84Å; H174-W183 HydrophobicContact CB-CE3 4.21Å; H174-W183 HydrophobicContact CB-CZ3 4.05Å; I175-W183 VanDerWaalsContact O-CA 3.31Å; I175-W183 WeakPolarHBondContact O-CA 3.42Å; F176-W183 HydrophobicContact CB-CD2 3.97Å; F176-W183 HydrophobicContact CB-CE3 3.84Å; F176-W183 HydrophobicContact CB-CH2 3.84Å; F176-W183 HydrophobicContact CB-CZ2 3.93Å; F176-W183 HydrophobicContact CB-CZ3 3.78Å; F176-W183 AromaticContact CD2-CD1 3.68Å; F176-W183 AromaticContact CD2-CD2 3.74Å; F176-W183 HydrophobicContact CD2-CD2 3.74Å; F176-W183 AromaticContact CD2-CE2 3.46Å; F176-W183 VanDerWaalsContact CD2-CE2 3.46Å; F176-W183 HydrophobicContact CD2-CE3 4.46Å; F176-W183 AromaticContact CD2-CG 3.91Å; F176-W183 HydrophobicContact CD2-CG 3.91Å; F176-W183 HydrophobicContact CD2-CZ2 4.03Å; F176-W183 AromaticContact CD2-NE1 3.38Å; F176-W183 AromaticContact CE2-NE1 3.77Å; F176-W183 HydrophobicContact CG-CD2 4.31Å; F176-W183 HydrophobicContact CG-CZ2 4.15Å
184	F	97.8	Very high	96.2	Very high	70 Å²	70	56.5 Å²	56.5	31%	0.307	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	160.5	170	62.2	-82.6	0	0	0	111.2	I175 D177	I175-F184 HydrophobicContact CB-CD1 4.38Å; I175-F184 HydrophobicContact CB-CD2 4.36Å; I175-F184 HydrophobicContact CB-CE1 4.04Å; I175-F184 HydrophobicContact CB-CE2 4.03Å; I175-F184 HydrophobicContact CB-CZ 3.86Å; I175-F184 HydrophobicContact CD1-CD2 4.13Å; I175-F184 HydrophobicContact CD1-CE2 3.47Å; I175-F184 VanDerWaalsContact CD1-CE2 3.47Å; I175-F184 HydrophobicContact CD1-CZ 3.9Å; I175-F184 HydrophobicContact CG1-CE2 4.34Å; I175-F184 HydrophobicContact CG2-CE1 3.75Å; I175-F184 HydrophobicContact CG2-CE2 4.22Å; I175-F184 HydrophobicContact CG2-CZ 3.57Å; I175-F184 PolarHBondContact N-O 2.89Å; I175-F184 PolarHBondContact O-N 3Å; D177-F184 HydrophobicContact CB-CE1 4.2Å
185	Q	96.9	Very high	96.1	Very high	100 Å²	100	61 Å²	61	47%	0.467	32%	0.324	S	S	.	.			trans	-97.4	134	168.9	-64.6	-174	-24.1	0	0	109	V173 H174	V173-Q185 WeakPolarHBondContact O-CG 3.41Å; H174-Q185 PolarHBondContact CE1-NE2 3.14Å; H174-Q185 PolarHBondContact NE2-NE2 2.71Å
186	P	95.6	Very high	96	Very high	15 Å²	15	61.4 Å²	61.4	10%	0.097	33%	0.327	C	S	.	.			trans	-71.8	146	172.7	30.8	-31.7	0	0	0	110.4	V173 I175 I188 W232	V173-P186 HydrophobicContact CB-CG 4.09Å; V173-P186 HydrophobicContact CG1-CG 3.67Å; V173-P186 WeakPolarHBondContact O-CD 3.32Å; I175-P186 HydrophobicContact CD1-CB 3.69Å; I175-P186 HydrophobicContact CD1-CG 3.66Å; I175-P186 HydrophobicContact CG1-CG 4.35Å; P186-I188 HydrophobicContact CG-CD1 4.18Å; P186-I188 PolarHBondContact O-N 2.95Å; P186-W232 HydrophobicContact CB-CB 4.25Å; P186-W232 HydrophobicContact CB-CD2 3.4Å; P186-W232 HydrophobicContact CB-CE3 3.77Å; P186-W232 HydrophobicContact CB-CG 3.6Å; P186-W232 HydrophobicContact CB-CZ2 4.26Å; P186-W232 HydrophobicContact CB-CZ3 4.33Å; P186-W232 HydrophobicContact CG-CD2 3.96Å; P186-W232 HydrophobicContact CG-CE3 3.77Å; P186-W232 HydrophobicContact CG-CG 4.42Å; P186-W232 HydrophobicContact CG-CZ3 4.15Å
187	E	94.9	Very high	96	Very high	155 Å²	155	61.4 Å²	61.4	72%	0.724	33%	0.327	S	S	*	.			trans	-70.7	110.2	166.9	-172.9	-174.8	-178.3	0	0	109.3	K189 W232	E187-K189 PolarHBondContact O-N 2.88Å; E187-W232 WeakPolarHBondContact O-CB 3.4Å
188	I	95	Very high	96	Very high	70 Å²	70	60.5 Å²	60.5	36%	0.359	32%	0.322	S	S	.	.			trans	-71.5	115.6	177.6	-58.7	-57	0	0	0	109.2	V173 P186 L227 W232	V173-I188 HydrophobicContact CG2-CD1 4.42Å; P186-I188 HydrophobicContact CG-CD1 4.18Å; P186-I188 PolarHBondContact O-N 2.95Å; I188-L227 HydrophobicContact CD1-CD1 4.43Å; I188-W232 WeakPolarHBondContact CA-O 3.41Å; I188-W232 HydrophobicContact CD1-CB 4.34Å
189	K	91.5	Very high	96.1	Very high	140 Å²	140	59.9 Å²	59.9	61%	0.609	32%	0.319	S	S	*	.			trans	-87.1	-7.1	-170.8	-61.5	-166.2	-174.6	179.2	0	114.9	E187 N231 W232	E187-K189 PolarHBondContact O-N 2.88Å; K189-N231 VanDerWaalsContact CD-O 3.24Å; K189-N231 WeakPolarHBondContact CD-O 3.32Å; K189-N231 WeakPolarHBondContact CG-O 3.49Å; K189-W232 PolarHBondContact N-O 3.14Å
190	G	92.6	Very high	96.2	Very high	28 Å²	28	52.9 Å²	52.9	29%	0.289	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	155.8	-177	177.9	0	0	0	0	0	113.9	W234	G190-W234 PolarHBondContact O-N 2.81Å
191	G	92.9	Very high	96.3	Very high	47 Å²	47	51.6 Å²	51.6	49%	0.485	28%	0.278	S	S	.	.	S	Bend	trans	80	168.4	-171.7	0	0	0	0	0	112.7	W234	G191-W234 WeakPolarHBondContact CA-O 3.44Å
192	V	94.8	Very high	96.3	Very high	103 Å²	103	48.3 Å²	48.3	62%	0.624	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-96.9	118.7	178.3	-178.1	0	0	0	0	108.3	G236	V192-G236 WeakPolarHBondContact O-CA 3.47Å
193	P	95.6	Very high	96.3	Very high	53 Å²	53	47.1 Å²	47.1	34%	0.344	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-68.8	156.5	174.7	29.7	-34.5	0	0	0	110.8	W234	P193-W234 HydrophobicContact CB-CD2 4.33Å; P193-W234 HydrophobicContact CB-CG 4.24Å
194	P	96.7	Very high	96.3	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-60.4	151.9	166.6	10	-10.3	0	0	0	111.3	F139 N171 I211 H225 W234	F139-P194 HydrophobicContact CE1-CG 4.22Å; F139-P194 HydrophobicContact CE2-CG 4.27Å; F139-P194 HydrophobicContact CZ-CB 4.31Å; F139-P194 HydrophobicContact CZ-CG 3.63Å; N171-P194 WeakPolarHBondContact CB-O 3.4Å; N171-P194 PolarHBondContact ND2-O 2.88Å; P194-I211 HydrophobicContact CG-CD1 4.38Å; P194-I211 HydrophobicContact CG-CG2 3.96Å; P194-H225 HydrophobicContact CG-CB 4.38Å; P194-W234 VanDerWaalsContact CD-CZ3 3.47Å; P194-W234 HydrophobicContact CG-CE3 4.41Å; P194-W234 HydrophobicContact CG-CH2 3.77Å; P194-W234 HydrophobicContact CG-CZ2 4.43Å; P194-W234 HydrophobicContact CG-CZ3 3.79Å
195	Q	96.2	Very high	96.3	Very high	105 Å²	105	46 Å²	46	49%	0.491	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-56.6	150.9	171.2	-69.8	178.6	4.7	0	0	111.8	R197 V216	Q195-R197 WeakPolarHBondContact O-CG 3.35Å; Q195-R197 PolarHBondContact O-N 2.9Å; Q195-R197 PolarHBondContact O-NE 3.4Å; Q195-V216 HydrophobicContact CB-CG1 4.33Å
196	P	97.2	Very high	96.3	Very high	8 Å²	8	44.5 Å²	44.5	5%	0.052	27%	0.267	C	S	.	.	S	Bend	trans	-47.3	126.2	171.9	-27.7	35.4	0	0	0	112.7	D155 W169 H170 N171 V216	D155-P196 HydrophobicContact CB-CB 3.98Å; D155-P196 HydrophobicContact CB-CG 4.23Å; D155-P196 WeakPolarHBondContact OD2-CD 3.49Å; D155-P196 WeakPolarHBondContact OD2-CG 3.22Å; W169-P196 HydrophobicContact CB-CB 3.8Å; W169-P196 WeakPolarHBondContact O-CB 3.45Å; H170-P196 CarbonylContact O-C 3.54Å; H170-P196 VanDerWaalsContact O-CA 3.29Å; H170-P196 WeakPolarHBondContact O-CA 3.25Å; N171-P196 HydrophobicContact CB-CB 4.42Å; N171-P196 HydrophobicContact CB-CG 4.18Å; P196-V216 WeakPolarHBondContact O-CG2 3.5Å
197	R	98.1	Very high	96.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.275	C	S	.	.			trans	-154.8	155.7	-170.9	62.2	-176.1	68.5	-169.3	2.3	114.1	F139 G141 H170 Q195 H200 G213 R215 V216 D223	F139-R197 HydrophobicContact CE1-CG 3.96Å; G141-R197 PolarHBondContact N-O 2.87Å; H170-R197 PolarHBondContact O-N 2.83Å; Q195-R197 WeakPolarHBondContact O-CG 3.35Å; Q195-R197 PolarHBondContact O-N 2.9Å; Q195-R197 PolarHBondContact O-NE 3.4Å; R197-H200 HydrophobicContact CG-CB 4.32Å; R197-H200 PolarHBondContact O-ND1 2.97Å; R197-G213 WeakPolarHBondContact CD-O 3.37Å; R197-G213 PolarHBondContact NH1-O 2.94Å; R197-R215 WeakPolarHBondContact CA-O 3.37Å; R197-R215 WeakPolarHBondContact CB-O 3.27Å; R197-V216 HydrophobicContact CB-CG2 3.67Å; R197-D223 IonicContact CZ-OD1 3.7Å; R197-D223 IonicContact CZ-OD2 3.6Å; R197-D223 IonicContact NH1-OD1 3.65Å; R197-D223 PolarHBondContact NH1-OD1 2.83Å; R197-D223 IonicContact NH1-OD2 2.78Å; R197-D223 PolarHBondContact NH1-OD2 2.99Å; R197-D223 IonicContact NH2-OD1 2.77Å; R197-D223 IonicContact NH2-OD2 3.95Å; R197-D223 PolarHBondContact NH2-OD2 3.42Å
198	A	98.4	Very high	96.6	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.017	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-131.3	168	172	0	0	0	0	0	110.7	K126 H200 G214 R215	K126-A198 HydrophobicContact CB-CB 4.11Å; K126-A198 CarbonylContact O-C 3.58Å; A198-H200 PolarHBondContact O-N 3.25Å; A198-G214 CarbonylContact O-C 3.6Å; A198-G214 WeakPolarHBondContact O-CA 3.24Å; A198-R215 PolarHBondContact N-O 2.8Å; A198-R215 PolarHBondContact O-N 2.82Å
199	A	98.3	Very high	96.7	Very high	10 Å²	10	38.8 Å²	38.8	8%	0.083	24%	0.238	C	C	.	.	S	Bend	trans	52.8	27.9	-178.7	0	0	0	0	0	113.2	K126 S249 W250	K126-A199 HydrophobicContact CB-CB 4.43Å; K126-A199 HydrophobicContact CD-CB 4.45Å; K126-A199 PolarHBondContact O-N 2.9Å; A199-S249 CarbonylContact O-C 3.51Å; A199-S249 VanDerWaalsContact O-CA 3.29Å; A199-S249 WeakPolarHBondContact O-CA 3.19Å; A199-S249 WeakPolarHBondContact O-CB 3.26Å; A199-W250 VanDerWaalsContact CB-CD1 3.46Å; A199-W250 HydrophobicContact CB-CD2 4.41Å; A199-W250 HydrophobicContact CB-CG 3.92Å; A199-W250 PolarHBondContact O-N 2.8Å
200	H	98.6	Very high	97.1	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.019	21%	0.21	C	C	.	.			trans	-83.4	170.8	165	59.6	-88.8	0	0	0	108.6	S128 F139 R197 A198 I211	S128-H200 PolarHBondContact OG-CD2 3.47Å; S128-H200 PolarHBondContact OG-NE2 3.36Å; F139-H200 AromaticContact CD1-CE1 3.84Å; F139-H200 AromaticContact CD1-NE2 3.55Å; F139-H200 PolarHBondContact O-CE1 3.02Å; F139-H200 VanDerWaalsContact O-CE1 3.22Å; F139-H200 PolarHBondContact O-NE2 2.99Å; F139-H200 VanDerWaalsContact O-NE2 3.16Å; R197-H200 HydrophobicContact CG-CB 4.32Å; R197-H200 PolarHBondContact O-ND1 2.97Å; A198-H200 PolarHBondContact O-N 3.25Å; H200-I211 HydrophobicContact CB-CD1 4.19Å; H200-I211 HydrophobicContact CB-CG1 4.17Å; H200-I211 WeakPolarHBondContact CD2-CD1 3.31Å
201	M	98.3	Very high	97.4	Very high	57 Å²	57	31 Å²	31	28%	0.281	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143.1	172.3	-170.4	53.9	67.7	0	0	112.3	I211 F212 T252 L253	M201-I211 WeakPolarHBondContact O-CA 3.41Å; M201-F212 PolarHBondContact N-O 3.05Å; M201-F212 PolarHBondContact O-N 2.82Å; M201-T252 HydrophobicContact CE-CG2 4.4Å; M201-L253 HydrophobicContact CB-CB 3.91Å; M201-L253 HydrophobicContact CG-CB 3.66Å; M201-L253 VanDerWaalsContact CG-N 3.31Å
202	C	97.3	Very high	97.6	Very high	12 Å²	12	28.8 Å²	28.8	8%	0.081	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	146.3	179	-82.4	0	0	0	0	111.6	S128 W130 Y210	S128-C202 VanDerWaalsContact OG-CB 3.27Å; S128-C202 WeakPolarHBondContact OG-CB 3.5Å; S128-C202 PolarHBondContact OG-SG 3.36Å; W130-C202 HydrophobicContact CD2-CB 4.47Å; W130-C202 HydrophobicContact CG-CB 4.33Å; W130-C202 WeakPolarHBondContact CZ2-SG 3.33Å; W130-C202 VanDerWaalsContact NE1-CB 3.28Å; W130-C202 PolarHBondContact NE1-SG 3.26Å; C202-Y210 CarbonylContact C-O 3.53Å; C202-Y210 WeakPolarHBondContact CA-O 3.46Å
203	A	98.1	Very high	97.8	Very high	5 Å²	5	23.9 Å²	23.9	4%	0.041	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	148.8	174.7	0	0	0	0	0	110.1	G209 Y210 L253 L261	A203-G209 CarbonylContact O-C 3.57Å; A203-Y210 PolarHBondContact N-O 2.86Å; A203-Y210 PolarHBondContact O-N 2.85Å; A203-L253 HydrophobicContact CB-CD2 3.93Å; A203-L253 HydrophobicContact CB-CG 4.02Å; A203-L261 HydrophobicContact CB-CD2 3.67Å
204	V	98.2	Very high	98	Very high	36 Å²	36	21.4 Å²	21.4	22%	0.218	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130	179.6	-178	0	0	0	0	110	W130 K208 L229	W130-V204 HydrophobicContact CB-CG2 3.58Å; W130-V204 HydrophobicContact CG-CG2 3.98Å; V204-K208 WeakPolarHBondContact CA-O 3.34Å; V204-L229 HydrophobicContact CG1-CD1 4.21Å; V204-L229 HydrophobicContact CG2-CD1 4.41Å
205	L	97.4	Very high	98	Very high	15 Å²	15	23.8 Å²	23.8	8%	0.079	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	118.4	167.4	-70.2	175.5	0	0	0	109.3	N207 K208 Y210 P255 A257 L261 V282	L205-N207 PolarHBondContact O-N 2.74Å; L205-K208 PolarHBondContact N-O 3Å; L205-K208 PolarHBondContact O-N 2.88Å; L205-Y210 HydrophobicContact CB-CD2 4.4Å; L205-Y210 HydrophobicContact CB-CE2 4Å; L205-Y210 HydrophobicContact CD1-CE2 4.24Å; L205-Y210 HydrophobicContact CG-CE2 4.48Å; L205-P255 HydrophobicContact CD2-CB 3.61Å; L205-P255 HydrophobicContact CG-CB 4.3Å; L205-A257 WeakPolarHBondContact CD2-O 3.48Å; L205-L261 HydrophobicContact CD1-CD1 4.48Å; L205-L261 HydrophobicContact CD1-CD2 3.53Å; L205-L261 HydrophobicContact CD1-CG 3.8Å; L205-L261 HydrophobicContact CD2-CD2 4.43Å; L205-L261 HydrophobicContact CG-CD2 3.79Å; L205-V282 HydrophobicContact CD1-CG1 3.86Å; L205-V282 HydrophobicContact CD1-CG2 4.19Å
206	G	96.4	Very high	97.8	Very high	68 Å²	68	18.9 Å²	18.9	70%	0.701	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	-118.4	-173.6	0	0	0	0	0	111.4	Y132	Y132-G206 WeakPolarHBondContact CE2-O 3.38Å
207	N	97.6	Very high	97.4	Very high	53 Å²	53	22.3 Å²	22.3	28%	0.283	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	17	176	68.7	-13.9	0	0	0	113.8	Y132 L205 L229 D230	Y132-N207 HydrophobicContact CE2-CB 4.14Å; L205-N207 PolarHBondContact O-N 2.74Å; N207-L229 PolarHBondContact O-N 3.29Å; N207-D230 WeakPolarHBondContact CB-OD2 3.28Å; N207-D230 PolarHBondContact ND2-OD2 2.83Å
208	K	98.6	Very high	96.9	Very high	67 Å²	67	29 Å²	29	29%	0.291	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.4	179.9	-64.5	179.7	-177.8	176.3	0	110.2	V204 L205 Y210 Y226	V204-K208 WeakPolarHBondContact CA-O 3.34Å; L205-K208 PolarHBondContact N-O 3Å; L205-K208 PolarHBondContact O-N 2.88Å; K208-Y210 HydrophobicContact CB-CD2 4.14Å; K208-Y210 HydrophobicContact CB-CE2 3.56Å; K208-Y210 HydrophobicContact CD-CE2 4.24Å; K208-Y210 WeakPolarHBondContact CD-OH 3.46Å; K208-Y226 HydrophobicContact CB-CD2 3.95Å; K208-Y226 HydrophobicContact CB-CG 4.14Å; K208-Y226 HydrophobicContact CD-CD1 4.21Å; K208-Y226 HydrophobicContact CD-CD2 3.81Å; K208-Y226 HydrophobicContact CD-CE1 4.21Å; K208-Y226 HydrophobicContact CD-CE2 3.79Å; K208-Y226 HydrophobicContact CD-CG 4.05Å; K208-Y226 HydrophobicContact CG-CD2 3.69Å; K208-Y226 HydrophobicContact CG-CE2 3.92Å; K208-Y226 HydrophobicContact CG-CG 4.22Å
209	G	98.6	Very high	96.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	100.9	169.1	0	0	0	0	0	109.9	W130 A203 Y226 L227	W130-G209 VanDerWaalsContact NE1-CA 3.27Å; A203-G209 CarbonylContact O-C 3.57Å; G209-Y226 CarbonylContact O-C 3.44Å; G209-Y226 WeakPolarHBondContact O-CA 3.34Å; G209-L227 PolarHBondContact N-O 3Å; G209-L227 PolarHBondContact O-N 3.4Å
210	Y	98.8	Very high	96.5	Very high	5 Å²	5	31.6 Å²	31.6	2%	0.02	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	149.6	177.3	-71.7	-94.4	0	0	0	111.5	W130 C202 A203 L205 K208 L224 H225 Y226 I238 L261 V282	W130-Y210 PolarHBondContact NE1-O 3.43Å; C202-Y210 CarbonylContact C-O 3.53Å; C202-Y210 WeakPolarHBondContact CA-O 3.46Å; A203-Y210 PolarHBondContact N-O 2.86Å; A203-Y210 PolarHBondContact O-N 2.85Å; L205-Y210 HydrophobicContact CB-CD2 4.4Å; L205-Y210 HydrophobicContact CB-CE2 4Å; L205-Y210 HydrophobicContact CD1-CE2 4.24Å; L205-Y210 HydrophobicContact CG-CE2 4.48Å; K208-Y210 HydrophobicContact CB-CD2 4.14Å; K208-Y210 HydrophobicContact CB-CE2 3.56Å; K208-Y210 HydrophobicContact CD-CE2 4.24Å; K208-Y210 WeakPolarHBondContact CD-OH 3.46Å; Y210-L224 HydrophobicContact CD1-CD1 4.16Å; Y210-L224 HydrophobicContact CD1-CD2 4.47Å; Y210-L224 HydrophobicContact CD1-CG 4.36Å; Y210-H225 CarbonylContact C-O 3.56Å; Y210-H225 VanDerWaalsContact CA-O 3.3Å; Y210-H225 WeakPolarHBondContact CA-O 3.43Å; Y210-Y226 AromaticContact CE1-CD1 3.99Å; Y210-Y226 HydrophobicContact CE1-CD1 3.99Å; Y210-Y226 HydrophobicContact CE1-CG 4.36Å; Y210-I238 HydrophobicContact CD1-CD1 4.34Å; Y210-I238 HydrophobicContact CE1-CD1 3.99Å; Y210-L261 HydrophobicContact CD1-CD1 4.04Å; Y210-L261 HydrophobicContact CD2-CD1 4.24Å; Y210-L261 HydrophobicContact CG-CD1 3.82Å; Y210-V282 HydrophobicContact CE1-CB 4.44Å; Y210-V282 HydrophobicContact CE1-CG1 3.78Å; Y210-V282 HydrophobicContact CE2-CG1 4.2Å; Y210-V282 WeakPolarHBondContact OH-CB 3.41Å; Y210-V282 WeakPolarHBondContact OH-CG1 3.24Å
211	I	98.6	Very high	96.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	132.4	172.6	178.8	169.3	0	0	0	110.1	W130 F139 P194 H200 M201 L224 H225 W234	W130-I211 HydrophobicContact CZ2-CB 4.24Å; F139-I211 HydrophobicContact CD1-CD1 3.27Å; F139-I211 HydrophobicContact CE1-CD1 3.13Å; F139-I211 HydrophobicContact CG-CD1 4.34Å; F139-I211 HydrophobicContact CZ-CD1 4.11Å; P194-I211 HydrophobicContact CG-CD1 4.38Å; P194-I211 HydrophobicContact CG-CG2 3.96Å; H200-I211 HydrophobicContact CB-CD1 4.19Å; H200-I211 HydrophobicContact CB-CG1 4.17Å; H200-I211 WeakPolarHBondContact CD2-CD1 3.31Å; M201-I211 WeakPolarHBondContact O-CA 3.41Å; I211-L224 WeakPolarHBondContact O-CA 3.42Å; I211-H225 HydrophobicContact CG2-CB 3.72Å; I211-H225 PolarHBondContact N-O 2.98Å; I211-H225 PolarHBondContact O-N 3.43Å; I211-W234 HydrophobicContact CG2-CH2 4.31Å; I211-W234 HydrophobicContact CG2-CZ3 3.92Å
212	F	98.8	Very high	96.5	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140.2	178.1	-174.8	-102.7	0	0	0	112.2	M201 N222 D223 L224 P245 R248 H251 L253 L263 W287	M201-F212 PolarHBondContact N-O 3.05Å; M201-F212 PolarHBondContact O-N 2.82Å; F212-N222 WeakPolarHBondContact CE2-O 3.33Å; F212-N222 HydrophobicContact CZ-CB 4.24Å; F212-D223 WeakPolarHBondContact CA-O 3.38Å; F212-D223 WeakPolarHBondContact CD2-O 3.42Å; F212-L224 HydrophobicContact CB-CD1 3.99Å; F212-L224 HydrophobicContact CD2-CB 4.08Å; F212-L224 HydrophobicContact CD2-CD1 4.05Å; F212-L224 HydrophobicContact CG-CD1 4.49Å; F212-P245 HydrophobicContact CE1-CB 4.48Å; F212-P245 HydrophobicContact CZ-CB 4.01Å; F212-P245 HydrophobicContact CZ-CG 4.05Å; F212-R248 HydrophobicContact CE1-CG 3.92Å; F212-H251 AromaticContact CD1-CE1 3.97Å; F212-H251 AromaticContact CD1-NE2 3.53Å; F212-H251 PolarHBondContact O-CE1 3.19Å; F212-H251 PolarHBondContact O-NE2 2.98Å; F212-H251 VanDerWaalsContact O-NE2 3.13Å; F212-L253 HydrophobicContact CB-CD2 3.95Å; F212-L263 HydrophobicContact CD1-CD1 3.67Å; F212-L263 HydrophobicContact CD1-CD2 4.11Å; F212-L263 HydrophobicContact CE1-CD1 3.9Å; F212-L263 HydrophobicContact CE1-CD2 3.56Å; F212-L263 HydrophobicContact CE1-CG 4.41Å; F212-L263 HydrophobicContact CZ-CD2 4.07Å; F212-W287 HydrophobicContact CD2-CH2 4.47Å; F212-W287 AromaticContact CD2-CZ2 3.89Å; F212-W287 HydrophobicContact CD2-CZ2 3.89Å; F212-W287 AromaticContact CE2-CZ2 3.85Å; F212-W287 HydrophobicContact CE2-CZ2 3.85Å; F212-W287 HydrophobicContact CZ-CZ2 4.46Å
213	G	98.5	Very high	96.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.176	C	C	.	.			trans	58.4	-141.6	168.8	0	0	0	0	0	114.5	R197 M221 D223	R197-G213 WeakPolarHBondContact CD-O 3.37Å; R197-G213 PolarHBondContact NH1-O 2.94Å; G213-M221 VanDerWaalsContact CA-O 3.22Å; G213-M221 WeakPolarHBondContact CA-O 3.22Å; G213-D223 PolarHBondContact N-O 3.41Å; G213-D223 VanDerWaalsContact N-O 3.08Å
214	G	98.4	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.			trans	104.6	169.1	-176	0	0	0	0	0	113.4	A198 R220 M221 R248	A198-G214 CarbonylContact O-C 3.6Å; A198-G214 WeakPolarHBondContact O-CA 3.24Å; G214-R220 CarbonylContact O-C 3.5Å; G214-R220 VanDerWaalsContact O-CA 3.27Å; G214-R220 WeakPolarHBondContact O-CA 3.46Å; G214-M221 PolarHBondContact O-N 2.81Å; G214-R248 PolarHBondContact N-O 3.08Å
215	R	97.1	Very high	96.5	Very high	51 Å²	51	30 Å²	30	19%	0.192	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.9	174.1	-178.6	76.2	-172.2	-151.7	-13	109.5	W169 R197 A198 L217 Q218 T219	W169-R215 HydrophobicContact CZ2-CG 4.2Å; R197-R215 WeakPolarHBondContact CA-O 3.37Å; R197-R215 WeakPolarHBondContact CB-O 3.27Å; A198-R215 PolarHBondContact N-O 2.8Å; A198-R215 PolarHBondContact O-N 2.82Å; R215-L217 PolarHBondContact NE-O 2.83Å; R215-L217 PolarHBondContact NH2-O 2.63Å; R215-L217 VanDerWaalsContact NH2-O 3.09Å; R215-Q218 VanDerWaalsContact NH2-CA 3.32Å; R215-T219 VanDerWaalsContact CD-O 3.24Å; R215-T219 WeakPolarHBondContact CD-O 3.42Å
216	V	92.1	Very high	96.6	Very high	2 Å²	2	32 Å²	32	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	120.2	173	-176.1	0	0	0	0	107.6	Q195 P196 R197 Q218 T219 M221	Q195-V216 HydrophobicContact CB-CG1 4.33Å; P196-V216 WeakPolarHBondContact O-CG2 3.5Å; R197-V216 HydrophobicContact CB-CG2 3.67Å; V216-Q218 PolarHBondContact O-N 2.82Å; V216-Q218 VanDerWaalsContact O-N 3.14Å; V216-T219 PolarHBondContact N-O 2.87Å; V216-T219 PolarHBondContact O-N 2.85Å; V216-M221 HydrophobicContact CB-CG 4.24Å; V216-M221 HydrophobicContact CB-SD 4.37Å; V216-M221 HydrophobicContact CG2-CG 3.57Å; V216-M221 HydrophobicContact CG2-SD 4.25Å
217	L	88.8	Confident	96.7	Very high	81 Å²	81	28.8 Å²	28.8	42%	0.424	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	-121.5	-178.8	-56.3	175.6	0	0	0	111.3	D155 W169 R215	D155-L217 HydrophobicContact CB-CD2 4.42Å; W169-L217 HydrophobicContact CE3-CD2 4.02Å; W169-L217 VanDerWaalsContact CZ3-CA 3.5Å; W169-L217 HydrophobicContact CZ3-CB 4.43Å; W169-L217 HydrophobicContact CZ3-CD2 3.63Å; W169-L217 HydrophobicContact CZ3-CG 4.38Å; R215-L217 PolarHBondContact NE-O 2.83Å; R215-L217 PolarHBondContact NH2-O 2.63Å; R215-L217 VanDerWaalsContact NH2-O 3.09Å
218	Q	87.1	Confident	96.7	Very high	141 Å²	141	27.7 Å²	27.7	66%	0.659	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	2	-178.3	-59.5	-53.9	-27.1	0	0	114.6	R215 V216	R215-Q218 VanDerWaalsContact NH2-CA 3.32Å; V216-Q218 PolarHBondContact O-N 2.82Å; V216-Q218 VanDerWaalsContact O-N 3.14Å
219	T	93.3	Very high	96.7	Very high	62 Å²	62	24.7 Å²	24.7	38%	0.38	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	167.6	-174.4	-165.2	0	0	0	0	113.1	R215 V216 M221	R215-T219 VanDerWaalsContact CD-O 3.24Å; R215-T219 WeakPolarHBondContact CD-O 3.42Å; V216-T219 PolarHBondContact N-O 2.87Å; V216-T219 PolarHBondContact O-N 2.85Å; T219-M221 HydrophobicContact CG2-SD 3.97Å
220	R	96.9	Very high	96.7	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.011	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	150.6	171.4	-63.1	179.4	-179.3	83.7	3.4	109.1	G214 H247 S249 L267 S268 A269 N271	G214-R220 CarbonylContact O-C 3.5Å; G214-R220 VanDerWaalsContact O-CA 3.27Å; G214-R220 WeakPolarHBondContact O-CA 3.46Å; R220-H247 HydrophobicContact CB-CB 4.43Å; R220-H247 VanDerWaalsContact O-CB 3.31Å; R220-H247 WeakPolarHBondContact O-CB 3.44Å; R220-H247 PolarHBondContact O-ND1 3.22Å; R220-S249 VanDerWaalsContact CD-OG 3.31Å; R220-S249 WeakPolarHBondContact CD-OG 3.34Å; R220-S249 PolarHBondContact NE-OG 3.01Å; R220-L267 WeakPolarHBondContact CD-O 3.22Å; R220-S268 WeakPolarHBondContact CD-O 3.32Å; R220-S268 PolarHBondContact NH1-O 3.1Å; R220-A269 HydrophobicContact CB-CB 4.45Å; R220-N271 PolarHBondContact NH1-OD1 2.87Å; R220-N271 PolarHBondContact NH2-OD1 2.9Å
221	M	97.8	Very high	96.6	Very high	35 Å²	35	31 Å²	31	17%	0.172	15%	0.154	C	C	.	.			trans	-104	159.5	-174	-52.2	-59	-81.8	0	0	111.3	G213 G214 V216 T219 D223 H247 R248	G213-M221 VanDerWaalsContact CA-O 3.22Å; G213-M221 WeakPolarHBondContact CA-O 3.22Å; G214-M221 PolarHBondContact O-N 2.81Å; V216-M221 HydrophobicContact CB-CG 4.24Å; V216-M221 HydrophobicContact CB-SD 4.37Å; V216-M221 HydrophobicContact CG2-CG 3.57Å; V216-M221 HydrophobicContact CG2-SD 4.25Å; T219-M221 HydrophobicContact CG2-SD 3.97Å; M221-D223 WeakPolarHBondContact CB-OD1 3.46Å; M221-H247 WeakPolarHBondContact O-CA 3.39Å; M221-R248 PolarHBondContact O-N 2.87Å
222	N	97.7	Very high	96.5	Very high	24 Å²	24	32.3 Å²	32.3	13%	0.128	16%	0.159	C	C	.	.			trans	-128.8	17.4	169.7	72.2	-16.9	0	0	0	112.1	F212 R237 H247	F212-N222 WeakPolarHBondContact CE2-O 3.33Å; F212-N222 HydrophobicContact CZ-CB 4.24Å; N222-R237 PolarHBondContact OD1-NH2 2.93Å; N222-H247 PolarHBondContact OD1-CE1 3.01Å
223	D	97.9	Very high	96.5	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.07	17%	0.172	C	C	.	.			trans	-77.2	147.1	178.1	58.4	-17.2	0	0	0	110.8	R197 F212 G213 M221 H225 R237	R197-D223 IonicContact CZ-OD1 3.7Å; R197-D223 IonicContact CZ-OD2 3.6Å; R197-D223 IonicContact NH1-OD1 3.65Å; R197-D223 PolarHBondContact NH1-OD1 2.83Å; R197-D223 IonicContact NH1-OD2 2.78Å; R197-D223 PolarHBondContact NH1-OD2 2.99Å; R197-D223 IonicContact NH2-OD1 2.77Å; R197-D223 IonicContact NH2-OD2 3.95Å; R197-D223 PolarHBondContact NH2-OD2 3.42Å; F212-D223 WeakPolarHBondContact CA-O 3.38Å; F212-D223 WeakPolarHBondContact CD2-O 3.42Å; G213-D223 PolarHBondContact N-O 3.41Å; G213-D223 VanDerWaalsContact N-O 3.08Å; M221-D223 WeakPolarHBondContact CB-OD1 3.46Å; D223-H225 VanDerWaalsContact CG-NE2 3.35Å; D223-H225 IonicContact OD2-CD2 3.49Å; D223-H225 IonicContact OD2-CE1 2.73Å; D223-H225 IonicContact OD2-NE2 3.51Å; D223-H225 PolarHBondContact OD2-NE2 3.02Å; D223-R237 HydrophobicContact CB-CG 4.13Å
224	L	98.5	Very high	96.5	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.7	174.7	-175.2	68.4	0	0	0	107.9	Y210 I211 F212 I238 I240 H280 W287	Y210-L224 HydrophobicContact CD1-CD1 4.16Å; Y210-L224 HydrophobicContact CD1-CD2 4.47Å; Y210-L224 HydrophobicContact CD1-CG 4.36Å; I211-L224 WeakPolarHBondContact O-CA 3.42Å; F212-L224 HydrophobicContact CB-CD1 3.99Å; F212-L224 HydrophobicContact CD2-CB 4.08Å; F212-L224 HydrophobicContact CD2-CD1 4.05Å; F212-L224 HydrophobicContact CG-CD1 4.49Å; L224-I238 HydrophobicContact CB-CB 4.46Å; L224-I238 HydrophobicContact CB-CD1 4.5Å; L224-I238 HydrophobicContact CD2-CD1 3.93Å; L224-I238 HydrophobicContact CG-CD1 3.84Å; L224-I238 WeakPolarHBondContact O-CB 3.07Å; L224-I238 WeakPolarHBondContact O-CG1 3.42Å; L224-I238 PolarHBondContact O-N 2.9Å; L224-I240 HydrophobicContact CB-CD1 4.47Å; L224-I240 HydrophobicContact CD2-CD1 4.2Å; L224-H280 WeakPolarHBondContact CD2-NE2 3.38Å; L224-W287 HydrophobicContact CD2-CZ2 4.39Å
225	H	98.6	Very high	96.5	Very high	7 Å²	7	36.9 Å²	36.9	3%	0.032	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	165	173.5	-54.3	-110.3	0	0	0	108.9	P194 Y210 I211 D223 W234 G236 R237	P194-H225 HydrophobicContact CG-CB 4.38Å; Y210-H225 CarbonylContact C-O 3.56Å; Y210-H225 VanDerWaalsContact CA-O 3.3Å; Y210-H225 WeakPolarHBondContact CA-O 3.43Å; I211-H225 HydrophobicContact CG2-CB 3.72Å; I211-H225 PolarHBondContact N-O 2.98Å; I211-H225 PolarHBondContact O-N 3.43Å; D223-H225 VanDerWaalsContact CG-NE2 3.35Å; D223-H225 IonicContact OD2-CD2 3.49Å; D223-H225 IonicContact OD2-CE1 2.73Å; D223-H225 IonicContact OD2-NE2 3.51Å; D223-H225 PolarHBondContact OD2-NE2 3.02Å; H225-W234 HydrophobicContact CB-CE3 4.29Å; H225-W234 HydrophobicContact CB-CZ3 4.18Å; H225-G236 PolarHBondContact ND1-O 3.49Å; H225-R237 VanDerWaalsContact CE1-CA 3.49Å; H225-R237 WeakPolarHBondContact CE1-CA 3.44Å; H225-R237 PolarHBondContact CE1-N 3.05Å; H225-R237 PolarHBondContact ND1-N 3.48Å
226	Y	98.5	Very high	96.5	Very high	59 Å²	59	34.9 Å²	34.9	23%	0.231	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.8	159.5	70	-97.3	0	0	0	111.6	K208 G209 Y210 S235 I238	K208-Y226 HydrophobicContact CB-CD2 3.95Å; K208-Y226 HydrophobicContact CB-CG 4.14Å; K208-Y226 HydrophobicContact CD-CD1 4.21Å; K208-Y226 HydrophobicContact CD-CD2 3.81Å; K208-Y226 HydrophobicContact CD-CE1 4.21Å; K208-Y226 HydrophobicContact CD-CE2 3.79Å; K208-Y226 HydrophobicContact CD-CG 4.05Å; K208-Y226 HydrophobicContact CG-CD2 3.69Å; K208-Y226 HydrophobicContact CG-CE2 3.92Å; K208-Y226 HydrophobicContact CG-CG 4.22Å; G209-Y226 CarbonylContact O-C 3.44Å; G209-Y226 WeakPolarHBondContact O-CA 3.34Å; Y210-Y226 AromaticContact CE1-CD1 3.99Å; Y210-Y226 HydrophobicContact CE1-CD1 3.99Å; Y210-Y226 HydrophobicContact CE1-CG 4.36Å; Y226-S235 PolarHBondContact N-OG 3.29Å; Y226-S235 PolarHBondContact O-N 3.04Å; Y226-S235 PolarHBondContact O-OG 3.12Å; Y226-I238 HydrophobicContact CD1-CD1 3.67Å; Y226-I238 HydrophobicContact CD1-CG1 4.35Å; Y226-I238 HydrophobicContact CE1-CD1 4.25Å
227	L	98.8	Very high	96.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.9	164.5	-178.8	58.8	0	0	0	108.3	W130 V173 I188 G209 L229 W232 W234	W130-L227 HydrophobicContact CH2-CB 4.33Å; W130-L227 HydrophobicContact CH2-CD2 4.33Å; W130-L227 HydrophobicContact CZ3-CD2 3.96Å; V173-L227 HydrophobicContact CG1-CD2 4.24Å; V173-L227 HydrophobicContact CG2-CD2 4.02Å; I188-L227 HydrophobicContact CD1-CD1 4.43Å; G209-L227 PolarHBondContact N-O 3Å; G209-L227 PolarHBondContact O-N 3.4Å; L227-L229 HydrophobicContact CB-CD2 4.32Å; L227-L229 HydrophobicContact CD2-CD2 4.32Å; L227-L229 HydrophobicContact CG-CD2 4.2Å; L227-L229 PolarHBondContact O-N 3.31Å; L227-W232 HydrophobicContact CD2-CE3 3.97Å; L227-W232 HydrophobicContact CD2-CZ3 4.25Å; L227-W232 HydrophobicContact CG-CE3 4.35Å; L227-W234 HydrophobicContact CB-CD2 4.11Å; L227-W234 HydrophobicContact CB-CE3 3.9Å; L227-W234 HydrophobicContact CB-CH2 4.03Å; L227-W234 HydrophobicContact CB-CZ2 4.18Å; L227-W234 HydrophobicContact CB-CZ3 3.86Å; L227-W234 HydrophobicContact CD1-CD2 3.92Å; L227-W234 HydrophobicContact CD1-CG 4.01Å; L227-W234 HydrophobicContact CD1-CZ2 4.49Å; L227-W234 HydrophobicContact CD2-CZ2 4.14Å
228	N	98.4	Very high	97.2	Very high	29 Å²	29	39.5 Å²	39.5	16%	0.155	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	118.1	168.8	177.8	-40.4	0	0	0	108.8	D230 N231 W232 T233	N228-D230 VanDerWaalsContact C-N 3.3Å; N228-D230 PolarHBondContact O-N 2.84Å; N228-D230 WeakPolarHBondContact OD1-CB 3.45Å; N228-D230 PolarHBondContact OD1-N 2.89Å; N228-N231 WeakPolarHBondContact CB-OD1 3.46Å; N228-N231 PolarHBondContact OD1-N 3.2Å; N228-N231 VanDerWaalsContact OD1-N 3.15Å; N228-N231 PolarHBondContact OD1-OD1 3.37Å; N228-W232 VanDerWaalsContact O-CA 3.23Å; N228-W232 WeakPolarHBondContact O-CA 3.45Å; N228-W232 PolarHBondContact O-N 2.89Å; N228-T233 PolarHBondContact N-O 3.46Å
229	L	98.4	Very high	97.7	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-4.1	-170.3	-52.6	179.3	0	0	0	113.4	W130 Y132 I137 V204 N207 L227 W232	W130-L229 HydrophobicContact CB-CD1 4.31Å; W130-L229 HydrophobicContact CD2-CD2 4.49Å; W130-L229 HydrophobicContact CE3-CD2 4.36Å; Y132-L229 HydrophobicContact CD1-CB 3.53Å; Y132-L229 HydrophobicContact CD1-CD1 4.22Å; Y132-L229 HydrophobicContact CD2-CB 4.46Å; Y132-L229 HydrophobicContact CD2-CD1 4.02Å; Y132-L229 HydrophobicContact CE1-CB 3.83Å; Y132-L229 HydrophobicContact CG-CB 3.89Å; Y132-L229 HydrophobicContact CG-CD1 3.69Å; Y132-L229 HydrophobicContact CG-CG 4.45Å; I137-L229 HydrophobicContact CD1-CD1 4.35Å; I137-L229 HydrophobicContact CD1-CD2 4.01Å; V204-L229 HydrophobicContact CG1-CD1 4.21Å; V204-L229 HydrophobicContact CG2-CD1 4.41Å; N207-L229 PolarHBondContact O-N 3.29Å; L227-L229 HydrophobicContact CB-CD2 4.32Å; L227-L229 HydrophobicContact CD2-CD2 4.32Å; L227-L229 HydrophobicContact CG-CD2 4.2Å; L227-L229 PolarHBondContact O-N 3.31Å; L229-W232 HydrophobicContact CD2-CZ3 4.28Å
230	D	96.9	Very high	97.9	Very high	75 Å²	75	37.1 Å²	37.1	40%	0.401	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-40.9	171.5	-73.8	-46.4	0	0	0	112.1	Y132 K133 N207 N228	Y132-D230 PolarHBondContact OH-OD1 3.39Å; Y132-D230 PolarHBondContact OH-OD2 2.95Å; K133-D230 IonicContact NZ-OD1 3.41Å; K133-D230 PolarHBondContact NZ-OD1 2.8Å; N207-D230 WeakPolarHBondContact CB-OD2 3.28Å; N207-D230 PolarHBondContact ND2-OD2 2.83Å; N228-D230 VanDerWaalsContact C-N 3.3Å; N228-D230 PolarHBondContact O-N 2.84Å; N228-D230 WeakPolarHBondContact OD1-CB 3.45Å; N228-D230 PolarHBondContact OD1-N 2.89Å
231	N	96.9	Very high	97.8	Very high	63 Å²	63	40.9 Å²	40.9	34%	0.337	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-3.9	-173.1	73.6	7.3	0	0	0	114.9	K189 N228 T233	K189-N231 VanDerWaalsContact CD-O 3.24Å; K189-N231 WeakPolarHBondContact CD-O 3.32Å; K189-N231 WeakPolarHBondContact CG-O 3.49Å; N228-N231 WeakPolarHBondContact CB-OD1 3.46Å; N228-N231 PolarHBondContact OD1-N 3.2Å; N228-N231 VanDerWaalsContact OD1-N 3.15Å; N228-N231 PolarHBondContact OD1-OD1 3.37Å; N231-T233 VanDerWaalsContact C-N 3.3Å; N231-T233 PolarHBondContact O-N 2.66Å; N231-T233 WeakPolarHBondContact OD1-CB 3.18Å; N231-T233 PolarHBondContact OD1-N 3.5Å; N231-T233 PolarHBondContact OD1-OG1 3.27Å
232	W	97.8	Very high	97.6	Very high	27 Å²	27	42.8 Å²	42.8	10%	0.102	24%	0.239	C	C	.	.			trans	59.9	36.1	178.4	-47.9	109.6	0	0	0	114	I137 I175 P186 E187 I188 K189 L227 N228 L229	I137-W232 HydrophobicContact CD1-CH2 3.78Å; I137-W232 HydrophobicContact CD1-CZ3 4.1Å; I137-W232 HydrophobicContact CG1-CH2 4.39Å; I137-W232 HydrophobicContact CG2-CZ3 4.13Å; I175-W232 HydrophobicContact CD1-CH2 3.27Å; I175-W232 HydrophobicContact CD1-CZ2 3.46Å; I175-W232 VanDerWaalsContact CD1-CZ2 3.46Å; I175-W232 HydrophobicContact CD1-CZ3 3.87Å; I175-W232 HydrophobicContact CG1-CH2 4.07Å; P186-W232 HydrophobicContact CB-CB 4.25Å; P186-W232 HydrophobicContact CB-CD2 3.4Å; P186-W232 HydrophobicContact CB-CE3 3.77Å; P186-W232 HydrophobicContact CB-CG 3.6Å; P186-W232 HydrophobicContact CB-CZ2 4.26Å; P186-W232 HydrophobicContact CB-CZ3 4.33Å; P186-W232 HydrophobicContact CG-CD2 3.96Å; P186-W232 HydrophobicContact CG-CE3 3.77Å; P186-W232 HydrophobicContact CG-CG 4.42Å; P186-W232 HydrophobicContact CG-CZ3 4.15Å; E187-W232 WeakPolarHBondContact O-CB 3.4Å; I188-W232 WeakPolarHBondContact CA-O 3.41Å; I188-W232 HydrophobicContact CD1-CB 4.34Å; K189-W232 PolarHBondContact N-O 3.14Å; L227-W232 HydrophobicContact CD2-CE3 3.97Å; L227-W232 HydrophobicContact CD2-CZ3 4.25Å; L227-W232 HydrophobicContact CG-CE3 4.35Å; N228-W232 VanDerWaalsContact O-CA 3.23Å; N228-W232 WeakPolarHBondContact O-CA 3.45Å; N228-W232 PolarHBondContact O-N 2.89Å; L229-W232 HydrophobicContact CD2-CZ3 4.28Å
233	T	98.3	Very high	97.4	Very high	46 Å²	46	48.1 Å²	48.1	28%	0.282	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-102.3	126.7	173.4	-54.8	0	0	0	0	110.4	N228 N231	N228-T233 PolarHBondContact N-O 3.46Å; N231-T233 VanDerWaalsContact C-N 3.3Å; N231-T233 PolarHBondContact O-N 2.66Å; N231-T233 WeakPolarHBondContact OD1-CB 3.18Å; N231-T233 PolarHBondContact OD1-N 3.5Å; N231-T233 PolarHBondContact OD1-OG1 3.27Å
234	W	98.5	Very high	97.3	Very high	8 Å²	8	50 Å²	50	3%	0.03	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-74.6	145.6	172.3	-77.7	104.2	0	0	0	111.1	W130 F139 V173 G190 G191 P193 P194 I211 H225 L227 G236	W130-W234 AromaticContact CH2-CH2 3.71Å; W130-W234 HydrophobicContact CH2-CH2 3.71Å; W130-W234 HydrophobicContact CH2-CZ2 4.35Å; W130-W234 HydrophobicContact CH2-CZ3 4.48Å; W130-W234 HydrophobicContact CZ2-CH2 4.32Å; F139-W234 AromaticContact CD2-CH2 3.95Å; F139-W234 HydrophobicContact CD2-CH2 3.95Å; F139-W234 AromaticContact CD2-CZ2 3.81Å; F139-W234 HydrophobicContact CD2-CZ2 3.81Å; F139-W234 AromaticContact CE2-CH2 3.77Å; F139-W234 HydrophobicContact CE2-CH2 3.77Å; F139-W234 AromaticContact CE2-CZ2 3.57Å; F139-W234 HydrophobicContact CE2-CZ2 3.57Å; F139-W234 HydrophobicContact CZ-CH2 4.32Å; F139-W234 HydrophobicContact CZ-CZ2 4.46Å; V173-W234 HydrophobicContact CG2-CZ2 4.08Å; G190-W234 PolarHBondContact O-N 2.81Å; G191-W234 WeakPolarHBondContact CA-O 3.44Å; P193-W234 HydrophobicContact CB-CD2 4.33Å; P193-W234 HydrophobicContact CB-CG 4.24Å; P194-W234 VanDerWaalsContact CD-CZ3 3.47Å; P194-W234 HydrophobicContact CG-CE3 4.41Å; P194-W234 HydrophobicContact CG-CH2 3.77Å; P194-W234 HydrophobicContact CG-CZ2 4.43Å; P194-W234 HydrophobicContact CG-CZ3 3.79Å; I211-W234 HydrophobicContact CG2-CH2 4.31Å; I211-W234 HydrophobicContact CG2-CZ3 3.92Å; H225-W234 HydrophobicContact CB-CE3 4.29Å; H225-W234 HydrophobicContact CB-CZ3 4.18Å; L227-W234 HydrophobicContact CB-CD2 4.11Å; L227-W234 HydrophobicContact CB-CE3 3.9Å; L227-W234 HydrophobicContact CB-CH2 4.03Å; L227-W234 HydrophobicContact CB-CZ2 4.18Å; L227-W234 HydrophobicContact CB-CZ3 3.86Å; L227-W234 HydrophobicContact CD1-CD2 3.92Å; L227-W234 HydrophobicContact CD1-CG 4.01Å; L227-W234 HydrophobicContact CD1-CZ2 4.49Å; L227-W234 HydrophobicContact CD2-CZ2 4.14Å; W234-G236 VanDerWaalsContact C-N 3.25Å; W234-G236 PolarHBondContact O-N 2.85Å
235	S	98.1	Very high	97.3	Very high	43 Å²	43	49.9 Å²	49.9	30%	0.301	28%	0.276	S	S	.	.			trans	-72.9	-18.6	173.5	63	0	0	0	0	113.8	Y226	Y226-S235 PolarHBondContact N-OG 3.29Å; Y226-S235 PolarHBondContact O-N 3.04Å; Y226-S235 PolarHBondContact O-OG 3.12Å
236	G	97.8	Very high	97.1	Very high	10 Å²	10	55.6 Å²	55.6	10%	0.103	30%	0.301	C	S	.	.			trans	65.7	-176	-154.1	0	0	0	0	0	111.6	V192 H225 W234 I238	V192-G236 WeakPolarHBondContact O-CA 3.47Å; H225-G236 PolarHBondContact ND1-O 3.49Å; W234-G236 VanDerWaalsContact C-N 3.25Å; W234-G236 PolarHBondContact O-N 2.85Å; G236-I238 PolarHBondContact O-N 2.81Å
237	R	97.6	Very high	97.1	Very high	163 Å²	163	56.4 Å²	56.4	62%	0.615	31%	0.307	S	S	*	.	S	Bend	trans	-63.6	120.8	178.4	-177.5	177.1	-174.7	178.3	6.5	109.8	N222 D223 H225 T239	N222-R237 PolarHBondContact OD1-NH2 2.93Å; D223-R237 HydrophobicContact CB-CG 4.13Å; H225-R237 VanDerWaalsContact CE1-CA 3.49Å; H225-R237 WeakPolarHBondContact CE1-CA 3.44Å; H225-R237 PolarHBondContact CE1-N 3.05Å; H225-R237 PolarHBondContact ND1-N 3.48Å; R237-T239 PolarHBondContact O-N 2.91Å
238	I	97.7	Very high	97.1	Very high	17 Å²	17	56.4 Å²	56.4	9%	0.087	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-69.9	127.9	175.7	-58.4	176.2	0	0	0	108.9	Y210 L224 Y226 G236 I240 N285	Y210-I238 HydrophobicContact CD1-CD1 4.34Å; Y210-I238 HydrophobicContact CE1-CD1 3.99Å; L224-I238 HydrophobicContact CB-CB 4.46Å; L224-I238 HydrophobicContact CB-CD1 4.5Å; L224-I238 HydrophobicContact CD2-CD1 3.93Å; L224-I238 HydrophobicContact CG-CD1 3.84Å; L224-I238 WeakPolarHBondContact O-CB 3.07Å; L224-I238 WeakPolarHBondContact O-CG1 3.42Å; L224-I238 PolarHBondContact O-N 2.9Å; Y226-I238 HydrophobicContact CD1-CD1 3.67Å; Y226-I238 HydrophobicContact CD1-CG1 4.35Å; Y226-I238 HydrophobicContact CE1-CD1 4.25Å; G236-I238 PolarHBondContact O-N 2.81Å; I238-I240 HydrophobicContact CG2-CD1 4.37Å; I238-I240 PolarHBondContact O-N 3.06Å; I238-N285 HydrophobicContact CG2-CB 4.31Å
239	T	96.9	Very high	97.1	Very high	111 Å²	111	55.1 Å²	55.1	68%	0.681	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-71.1	117.8	171.8	-52.7	0	0	0	0	109.5	R237	R237-T239 PolarHBondContact O-N 2.91Å
240	I	97.3	Very high	97.1	Very high	41 Å²	41	56.4 Å²	56.4	21%	0.21	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-87.3	136.5	177.6	-60.8	-54.2	0	0	0	109.9	L224 I238	L224-I240 HydrophobicContact CB-CD1 4.47Å; L224-I240 HydrophobicContact CD2-CD1 4.2Å; I238-I240 HydrophobicContact CG2-CD1 4.37Å; I238-I240 PolarHBondContact O-N 3.06Å
241	N	94.5	Very high	97.2	Very high	83 Å²	83	53 Å²	53	44%	0.444	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-96.2	118.8	175.3	-65.4	-37.3	0	0	0	109.8	T284 N285	N241-T284 PolarHBondContact ND2-O 3.45Å; N241-N285 PolarHBondContact N-O 2.78Å
242	G	93.8	Very high	97.3	Very high	75 Å²	75	50.1 Å²	50.1	77%	0.773	27%	0.271	S	S	*	.	S	Bend	trans	83.5	-141.4	177	0	0	0	0	0	113.8
243	E	94.7	Very high	97.3	Very high	135 Å²	135	49.1 Å²	49.1	63%	0.631	27%	0.268	S	S	*	.			trans	-67.4	152.4	-178.2	-65.8	-174.5	165.9	0	0	111.9	W278	E243-W278 HydrophobicContact CB-CZ3 4.27Å
244	S	95.8	Very high	97.3	Very high	52 Å²	52	47.3 Å²	47.3	36%	0.364	26%	0.257	S	S	.	.			trans	-136.8	150	176.5	64	0	0	0	0	110.9
245	P	97.4	Very high	97.2	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-61.2	147.8	173.2	-16	27.3	0	0	0	111	F212 L263 W278 W287	F212-P245 HydrophobicContact CE1-CB 4.48Å; F212-P245 HydrophobicContact CZ-CB 4.01Å; F212-P245 HydrophobicContact CZ-CG 4.05Å; P245-L263 HydrophobicContact CB-CD2 3.51Å; P245-L263 HydrophobicContact CG-CD2 3.45Å; P245-L263 VanDerWaalsContact CG-CD2 3.45Å; P245-W278 HydrophobicContact CB-CD2 4.15Å; P245-W278 HydrophobicContact CB-CG 4.21Å; P245-W278 HydrophobicContact CG-CB 4.23Å; P245-W278 HydrophobicContact CG-CD2 3.79Å; P245-W278 HydrophobicContact CG-CE3 4.17Å; P245-W278 HydrophobicContact CG-CG 3.82Å; P245-W287 HydrophobicContact CG-CD2 3.67Å; P245-W287 HydrophobicContact CG-CE3 3.76Å; P245-W287 HydrophobicContact CG-CG 4.08Å; P245-W287 HydrophobicContact CG-CH2 4.43Å; P245-W287 HydrophobicContact CG-CZ2 4.39Å; P245-W287 HydrophobicContact CG-CZ3 4.13Å
246	K	95.9	Very high	97.1	Very high	127 Å²	127	47.4 Å²	47.4	55%	0.552	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-57.7	153.4	171.7	-66.7	-172.7	177	-172.2	0	111.9	R248	K246-R248 PolarHBondContact O-N 2.95Å; K246-R248 PolarHBondContact O-NE 2.83Å
247	H	98	Very high	96.9	Very high	75 Å²	75	48.8 Å²	48.8	35%	0.347	27%	0.267	S	S	.	.	S	Bend	trans	-49	127.4	169.2	-69.4	-102.2	0	0	0	111.6	R220 M221 N222 S268 A269	R220-H247 HydrophobicContact CB-CB 4.43Å; R220-H247 VanDerWaalsContact O-CB 3.31Å; R220-H247 WeakPolarHBondContact O-CB 3.44Å; R220-H247 PolarHBondContact O-ND1 3.22Å; M221-H247 WeakPolarHBondContact O-CA 3.39Å; N222-H247 PolarHBondContact OD1-CE1 3.01Å; H247-S268 CarbonylContact O-C 3.56Å; H247-S268 VanDerWaalsContact O-CA 3.27Å; H247-S268 WeakPolarHBondContact O-CA 3.18Å; H247-A269 HydrophobicContact CB-CB 3.85Å; H247-A269 PolarHBondContact O-N 2.97Å
248	R	98.4	Very high	96.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	154.6	-173.4	63.7	-177.1	78	-158.1	-1.6	115	F212 G214 M221 K246 H251 G265 L267 L274 D276	F212-R248 HydrophobicContact CE1-CG 3.92Å; G214-R248 PolarHBondContact N-O 3.08Å; M221-R248 PolarHBondContact O-N 2.87Å; K246-R248 PolarHBondContact O-N 2.95Å; K246-R248 PolarHBondContact O-NE 2.83Å; R248-H251 HydrophobicContact CG-CB 4.26Å; R248-G265 WeakPolarHBondContact CD-O 3.4Å; R248-G265 PolarHBondContact NH1-O 2.92Å; R248-L267 WeakPolarHBondContact CA-O 3.37Å; R248-L274 HydrophobicContact CB-CD1 3.89Å; R248-D276 IonicContact CZ-OD1 2.64Å; R248-D276 IonicContact CZ-OD2 3.19Å; R248-D276 IonicContact NH1-OD1 3.86Å; R248-D276 PolarHBondContact NH1-OD1 3.34Å; R248-D276 IonicContact NH1-OD2 2.94Å; R248-D276 IonicContact NH2-OD1 3.2Å; R248-D276 PolarHBondContact NH2-OD1 3.05Å; R248-D276 IonicContact NH2-OD2 3.69Å; R248-D276 PolarHBondContact NH2-OD2 2.92Å
249	S	98.6	Very high	96.6	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.014	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	171.5	168.2	70.6	0	0	0	0	109.2	A199 R220 H251 G266 L267	A199-S249 CarbonylContact O-C 3.51Å; A199-S249 VanDerWaalsContact O-CA 3.29Å; A199-S249 WeakPolarHBondContact O-CA 3.19Å; A199-S249 WeakPolarHBondContact O-CB 3.26Å; R220-S249 VanDerWaalsContact CD-OG 3.31Å; R220-S249 WeakPolarHBondContact CD-OG 3.34Å; R220-S249 PolarHBondContact NE-OG 3.01Å; S249-H251 PolarHBondContact O-N 3.02Å; S249-G266 CarbonylContact O-C 3.55Å; S249-G266 WeakPolarHBondContact O-CA 3.47Å; S249-L267 PolarHBondContact N-O 3.45Å; S249-L267 VanDerWaalsContact N-O 3.15Å; S249-L267 PolarHBondContact O-N 3.02Å
250	W	98.6	Very high	96.7	Very high	31 Å²	31	48.7 Å²	48.7	12%	0.117	27%	0.271	C	S	.	.	S	Bend	trans	56.4	25	178.3	-69.5	-49.6	0	0	0	114.1	K126 A199 L267 L300 W301 L323	K126-W250 HydrophobicContact CD-CZ2 4.41Å; A199-W250 VanDerWaalsContact CB-CD1 3.46Å; A199-W250 HydrophobicContact CB-CD2 4.41Å; A199-W250 HydrophobicContact CB-CG 3.92Å; A199-W250 PolarHBondContact O-N 2.8Å; W250-L267 HydrophobicContact CE3-CB 4.07Å; W250-L267 HydrophobicContact CE3-CD2 3.81Å; W250-L267 HydrophobicContact CZ3-CD2 3.56Å; W250-L300 HydrophobicContact CB-CB 4.14Å; W250-L300 HydrophobicContact CB-CD1 4.3Å; W250-L300 HydrophobicContact CD2-CD1 4.16Å; W250-L300 HydrophobicContact CE3-CD1 3.6Å; W250-L300 HydrophobicContact CZ3-CD1 4.13Å; W250-L300 WeakPolarHBondContact O-CA 3.43Å; W250-W301 HydrophobicContact CB-CB 4.19Å; W250-W301 AromaticContact CD1-CD1 3.67Å; W250-W301 AromaticContact CD1-CD2 3.86Å; W250-W301 AromaticContact CD1-CG 3.53Å; W250-W301 HydrophobicContact CG-CB 4.07Å; W250-W301 HydrophobicContact CG-CG 4.18Å; W250-W301 HydrophobicContact CZ2-CE3 4.31Å; W250-W301 HydrophobicContact CZ2-CZ3 4.44Å; W250-W301 AromaticContact NE1-CD2 3.57Å; W250-W301 AromaticContact NE1-CE2 3.79Å; W250-W301 AromaticContact NE1-CE3 3.95Å; W250-W301 AromaticContact NE1-CG 3.79Å; W250-W301 PolarHBondContact O-N 3.28Å; W250-L323 HydrophobicContact CH2-CD2 4.11Å; W250-L323 HydrophobicContact CH2-CG 4.36Å; W250-L323 HydrophobicContact CZ3-CG 4.44Å
251	H	98.7	Very high	96.7	Very high	3 Å²	3	46.7 Å²	46.7	1%	0.014	26%	0.261	C	S	.	.			trans	-92.6	171.6	174.1	61.3	-86.3	0	0	0	109.6	F212 R248 S249 L263 G265	F212-H251 AromaticContact CD1-CE1 3.97Å; F212-H251 AromaticContact CD1-NE2 3.53Å; F212-H251 PolarHBondContact O-CE1 3.19Å; F212-H251 PolarHBondContact O-NE2 2.98Å; F212-H251 VanDerWaalsContact O-NE2 3.13Å; R248-H251 HydrophobicContact CG-CB 4.26Å; S249-H251 PolarHBondContact O-N 3.02Å; H251-L263 HydrophobicContact CB-CD1 4.16Å; H251-L263 WeakPolarHBondContact CD2-CD1 3.49Å; H251-G265 WeakPolarHBondContact CB-O 3.39Å
252	T	98.6	Very high	96.9	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	149.8	171.6	54.9	0	0	0	0	111	M201 L263 C264 H302 A304	M201-T252 HydrophobicContact CE-CG2 4.4Å; T252-L263 WeakPolarHBondContact O-CA 3.5Å; T252-L263 WeakPolarHBondContact O-CD1 3.41Å; T252-C264 PolarHBondContact N-O 2.78Å; T252-C264 PolarHBondContact O-N 3Å; T252-C264 VanDerWaalsContact O-N 3.07Å; T252-C264 PolarHBondContact OG1-SG 3.02Å; T252-H302 VanDerWaalsContact CG2-CD2 3.42Å; T252-H302 WeakPolarHBondContact CG2-CD2 3.24Å; T252-H302 WeakPolarHBondContact CG2-NE2 3.39Å; T252-H302 VanDerWaalsContact CG2-O 3.31Å; T252-H302 WeakPolarHBondContact CG2-O 3.32Å; T252-H302 PolarHBondContact OG1-NE2 2.89Å; T252-A304 VanDerWaalsContact CB-CB 3.48Å; T252-A304 HydrophobicContact CG2-CB 3.76Å; T252-A304 WeakPolarHBondContact OG1-CB 3.11Å
253	L	98.5	Very high	97.1	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.037	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	111.3	-178.3	-175.2	73.4	0	0	0	107.3	M201 A203 F212 L261 F262 L263 W287	M201-L253 HydrophobicContact CB-CB 3.91Å; M201-L253 HydrophobicContact CG-CB 3.66Å; M201-L253 VanDerWaalsContact CG-N 3.31Å; A203-L253 HydrophobicContact CB-CD2 3.93Å; A203-L253 HydrophobicContact CB-CG 4.02Å; F212-L253 HydrophobicContact CB-CD2 3.95Å; L253-L261 HydrophobicContact CD1-CB 3.84Å; L253-L261 HydrophobicContact CD1-CD1 4.45Å; L253-L261 HydrophobicContact CD2-CD1 4.22Å; L253-L261 HydrophobicContact CG-CB 4.32Å; L253-F262 CarbonylContact C-O 3.49Å; L253-F262 VanDerWaalsContact CA-O 3.27Å; L253-F262 WeakPolarHBondContact CA-O 3.21Å; L253-L263 HydrophobicContact CD1-CB 4.01Å; L253-L263 HydrophobicContact CD1-CD1 4.27Å; L253-W287 HydrophobicContact CD1-CH2 4.05Å
254	T	97.7	Very high	97.2	Very high	8 Å²	8	33.1 Å²	33.1	5%	0.049	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129.6	-170.9	-53	0	0	0	0	109.8	I256 L261 F262 L306	T254-I256 PolarHBondContact O-N 3.01Å; T254-L261 CarbonylContact O-C 3.51Å; T254-L261 WeakPolarHBondContact O-CA 3.17Å; T254-F262 PolarHBondContact N-O 3Å; T254-F262 PolarHBondContact O-N 3.29Å; T254-L306 HydrophobicContact CG2-CB 4.08Å
255	P	96.6	Very high	97.3	Very high	43 Å²	43	30.8 Å²	30.8	28%	0.279	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	131.1	171	29	-32.5	0	0	0	109.8	L205 L261	L205-P255 HydrophobicContact CD2-CB 3.61Å; L205-P255 HydrophobicContact CG-CB 4.3Å; P255-L261 HydrophobicContact CB-CD2 4.11Å
256	I	95.5	Very high	97.3	Very high	9 Å²	9	30.8 Å²	30.8	5%	0.046	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	-15.3	-175.6	59.6	163.7	0	0	0	113.5	T254 K260 F262 I279 L306 I312 T338	T254-I256 PolarHBondContact O-N 3.01Å; I256-K260 HydrophobicContact CD1-CB 3.93Å; I256-K260 HydrophobicContact CG1-CB 3.59Å; I256-K260 WeakPolarHBondContact CG1-O 3.49Å; I256-K260 PolarHBondContact N-O 3.05Å; I256-F262 HydrophobicContact CD1-CB 4.29Å; I256-F262 HydrophobicContact CG2-CB 3.66Å; I256-I279 HydrophobicContact CD1-CD1 4.06Å; I256-I279 HydrophobicContact CD1-CG1 4.17Å; I256-I279 HydrophobicContact CD1-CG2 4.18Å; I256-L306 HydrophobicContact CG2-CD1 4.26Å; I256-I312 HydrophobicContact CG2-CD1 3.49Å; I256-I312 VanDerWaalsContact CG2-CD1 3.49Å; I256-I312 HydrophobicContact CG2-CG1 3.97Å; I256-T338 HydrophobicContact CD1-CG2 3.89Å; I256-T338 HydrophobicContact CG2-CG2 4.19Å
257	A	93.8	Very high	97.4	Very high	40 Å²	40	24.7 Å²	24.7	33%	0.331	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	171.7	172.9	0	0	0	0	0	107.9	L205 D259 K260	L205-A257 WeakPolarHBondContact CD2-O 3.48Å; A257-D259 PolarHBondContact O-N 3.4Å; A257-K260 HydrophobicContact CB-CB 4.15Å; A257-K260 HydrophobicContact CB-CD 4.35Å; A257-K260 PolarHBondContact O-N 3.35Å
258	D	93.8	Very high	97.4	Very high	159 Å²	159	21.2 Å²	21.2	85%	0.85	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.6	-179	-61.8	-23.3	0	0	0	113.8
259	D	96.4	Very high	97.2	Very high	49 Å²	49	22.9 Å²	22.9	26%	0.262	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	9	-176.9	76	-33.2	0	0	0	114	A257 N281 V282	A257-D259 PolarHBondContact O-N 3.4Å; D259-N281 WeakPolarHBondContact O-CA 3.1Å; D259-N281 PolarHBondContact OD2-ND2 3.44Å; D259-V282 HydrophobicContact CB-CG2 4.3Å; D259-V282 WeakPolarHBondContact O-CG2 3.27Å; D259-V282 PolarHBondContact O-N 3.2Å
260	K	97.4	Very high	97	Very high	80 Å²	80	28.4 Å²	28.4	35%	0.348	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	137.5	-171.5	-71.2	165.7	-166	169.1	0	114.5	I256 A257 I279 H280	I256-K260 HydrophobicContact CD1-CB 3.93Å; I256-K260 HydrophobicContact CG1-CB 3.59Å; I256-K260 WeakPolarHBondContact CG1-O 3.49Å; I256-K260 PolarHBondContact N-O 3.05Å; A257-K260 HydrophobicContact CB-CB 4.15Å; A257-K260 HydrophobicContact CB-CD 4.35Å; A257-K260 PolarHBondContact O-N 3.35Å; K260-I279 HydrophobicContact CB-CG2 4.12Å; K260-I279 HydrophobicContact CD-CG2 4.14Å; K260-I279 HydrophobicContact CG-CG2 3.98Å; K260-H280 VanDerWaalsContact CA-O 3.24Å; K260-H280 WeakPolarHBondContact CA-O 3.18Å
261	L	98	Very high	96.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	135.8	171.9	-56.1	171.3	0	0	0	109.4	A203 L205 Y210 L253 T254 P255 I279 H280 V282	A203-L261 HydrophobicContact CB-CD2 3.67Å; L205-L261 HydrophobicContact CD1-CD1 4.48Å; L205-L261 HydrophobicContact CD1-CD2 3.53Å; L205-L261 HydrophobicContact CD1-CG 3.8Å; L205-L261 HydrophobicContact CD2-CD2 4.43Å; L205-L261 HydrophobicContact CG-CD2 3.79Å; Y210-L261 HydrophobicContact CD1-CD1 4.04Å; Y210-L261 HydrophobicContact CD2-CD1 4.24Å; Y210-L261 HydrophobicContact CG-CD1 3.82Å; L253-L261 HydrophobicContact CD1-CB 3.84Å; L253-L261 HydrophobicContact CD1-CD1 4.45Å; L253-L261 HydrophobicContact CD2-CD1 4.22Å; L253-L261 HydrophobicContact CG-CB 4.32Å; T254-L261 CarbonylContact O-C 3.51Å; T254-L261 WeakPolarHBondContact O-CA 3.17Å; P255-L261 HydrophobicContact CB-CD2 4.11Å; L261-I279 CarbonylContact O-C 3.5Å; L261-I279 WeakPolarHBondContact O-CA 3.28Å; L261-H280 HydrophobicContact CB-CB 4.26Å; L261-H280 PolarHBondContact N-O 3.14Å; L261-H280 PolarHBondContact O-N 2.89Å; L261-V282 HydrophobicContact CD1-CG1 4.21Å; L261-V282 HydrophobicContact CG-CG1 4.39Å
262	F	97.8	Very high	96.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.8	171.5	177.5	-103.2	0	0	0	110.3	L253 T254 I256 C264 W278 I279 L290 L293 I312 F336	L253-F262 CarbonylContact C-O 3.49Å; L253-F262 VanDerWaalsContact CA-O 3.27Å; L253-F262 WeakPolarHBondContact CA-O 3.21Å; T254-F262 PolarHBondContact N-O 3Å; T254-F262 PolarHBondContact O-N 3.29Å; I256-F262 HydrophobicContact CD1-CB 4.29Å; I256-F262 HydrophobicContact CG2-CB 3.66Å; F262-C264 HydrophobicContact CD1-CB 4.35Å; F262-C264 HydrophobicContact CE1-CB 3.54Å; F262-C264 HydrophobicContact CZ-CB 3.84Å; F262-W278 CarbonylContact C-O 3.51Å; F262-W278 WeakPolarHBondContact CA-O 3.15Å; F262-W278 WeakPolarHBondContact CD2-O 3.34Å; F262-I279 HydrophobicContact CD2-CG1 4.08Å; F262-L290 HydrophobicContact CD2-CD1 4.24Å; F262-L290 HydrophobicContact CE2-CD1 3.61Å; F262-L293 HydrophobicContact CE2-CD1 4.45Å; F262-L293 HydrophobicContact CZ-CD1 4.29Å; F262-I312 HydrophobicContact CB-CD1 3.45Å; F262-I312 VanDerWaalsContact CB-CD1 3.45Å; F262-I312 HydrophobicContact CD1-CD1 3.05Å; F262-I312 HydrophobicContact CD1-CG1 4.37Å; F262-I312 HydrophobicContact CD1-CG2 4.19Å; F262-I312 HydrophobicContact CD2-CD1 4.06Å; F262-I312 HydrophobicContact CE1-CD1 3.65Å; F262-I312 HydrophobicContact CE1-CG2 4.33Å; F262-I312 HydrophobicContact CG-CD1 3.24Å; F262-I312 HydrophobicContact CZ-CD1 4.39Å; F262-F336 HydrophobicContact CE1-CD2 4.23Å; F262-F336 HydrophobicContact CE1-CG 4.35Å; F262-F336 HydrophobicContact CZ-CB 4.28Å; F262-F336 HydrophobicContact CZ-CD1 4.39Å; F262-F336 HydrophobicContact CZ-CD2 4.37Å; F262-F336 HydrophobicContact CZ-CG 4.09Å
263	L	98.4	Very high	96.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	133.3	175.5	173.8	75.3	0	0	0	108.7	F212 P245 H251 T252 L253 G277 W278 W287	F212-L263 HydrophobicContact CD1-CD1 3.67Å; F212-L263 HydrophobicContact CD1-CD2 4.11Å; F212-L263 HydrophobicContact CE1-CD1 3.9Å; F212-L263 HydrophobicContact CE1-CD2 3.56Å; F212-L263 HydrophobicContact CE1-CG 4.41Å; F212-L263 HydrophobicContact CZ-CD2 4.07Å; P245-L263 HydrophobicContact CB-CD2 3.51Å; P245-L263 HydrophobicContact CG-CD2 3.45Å; P245-L263 VanDerWaalsContact CG-CD2 3.45Å; H251-L263 HydrophobicContact CB-CD1 4.16Å; H251-L263 WeakPolarHBondContact CD2-CD1 3.49Å; T252-L263 WeakPolarHBondContact O-CA 3.5Å; T252-L263 WeakPolarHBondContact O-CD1 3.41Å; L253-L263 HydrophobicContact CD1-CB 4.01Å; L253-L263 HydrophobicContact CD1-CD1 4.27Å; L263-G277 CarbonylContact O-C 3.46Å; L263-G277 WeakPolarHBondContact O-CA 3.41Å; L263-W278 HydrophobicContact CB-CB 4.29Å; L263-W278 HydrophobicContact CD2-CB 4.44Å; L263-W278 PolarHBondContact N-O 2.95Å; L263-W278 PolarHBondContact O-N 3.32Å; L263-W287 HydrophobicContact CB-CH2 3.94Å; L263-W287 HydrophobicContact CB-CZ3 3.57Å; L263-W287 HydrophobicContact CD2-CH2 4.05Å; L263-W287 HydrophobicContact CD2-CZ3 3.95Å; L263-W287 HydrophobicContact CG-CZ3 4.4Å
264	C	97.2	Very high	96.5	Very high	7 Å²	7	35.9 Å²	35.9	5%	0.047	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	147	168.8	64	0	0	0	0	114.5	T252 F262 D276 H302	T252-C264 PolarHBondContact N-O 2.78Å; T252-C264 PolarHBondContact O-N 3Å; T252-C264 VanDerWaalsContact O-N 3.07Å; T252-C264 PolarHBondContact OG1-SG 3.02Å; F262-C264 HydrophobicContact CD1-CB 4.35Å; F262-C264 HydrophobicContact CE1-CB 3.54Å; F262-C264 HydrophobicContact CZ-CB 3.84Å; C264-D276 WeakPolarHBondContact CA-O 2.9Å; C264-H302 PolarHBondContact O-CE1 3.38Å; C264-H302 PolarHBondContact O-NE2 2.96Å
265	G	97.9	Very high	96.5	Very high	3 Å²	3	36.9 Å²	36.9	3%	0.031	21%	0.211	C	C	.	.			trans	62.6	-148.7	171.2	0	0	0	0	0	114.6	R248 H251 L274 D276 R299	R248-G265 WeakPolarHBondContact CD-O 3.4Å; R248-G265 PolarHBondContact NH1-O 2.92Å; H251-G265 WeakPolarHBondContact CB-O 3.39Å; G265-L274 VanDerWaalsContact CA-O 3.28Å; G265-L274 WeakPolarHBondContact CA-O 3.27Å; G265-D276 PolarHBondContact N-O 2.9Å; G265-R299 WeakPolarHBondContact CA-O 3.49Å
266	G	98.2	Very high	96.5	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.			trans	100.6	-173.2	-174.1	0	0	0	0	0	113.4	S249 L274 R299	S249-G266 CarbonylContact O-C 3.55Å; S249-G266 WeakPolarHBondContact O-CA 3.47Å; G266-L274 VanDerWaalsContact O-CB 3.27Å; G266-L274 WeakPolarHBondContact O-CB 3.29Å; G266-L274 PolarHBondContact O-N 2.79Å; G266-R299 PolarHBondContact N-O 3.43Å
267	L	97.8	Very high	96.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.2	175.8	-172.9	61.8	0	0	0	108.9	R220 R248 S249 W250 N271 P273 L300 D321	R220-L267 WeakPolarHBondContact CD-O 3.22Å; R248-L267 WeakPolarHBondContact CA-O 3.37Å; S249-L267 PolarHBondContact N-O 3.45Å; S249-L267 VanDerWaalsContact N-O 3.15Å; S249-L267 PolarHBondContact O-N 3.02Å; W250-L267 HydrophobicContact CE3-CB 4.07Å; W250-L267 HydrophobicContact CE3-CD2 3.81Å; W250-L267 HydrophobicContact CZ3-CD2 3.56Å; L267-N271 VanDerWaalsContact CD1-C 3.41Å; L267-P273 HydrophobicContact CD1-CG 4.23Å; L267-L300 HydrophobicContact CB-CB 4.47Å; L267-L300 HydrophobicContact CB-CD1 4.46Å; L267-L300 HydrophobicContact CB-CD2 4.04Å; L267-L300 HydrophobicContact CD1-CD2 3.89Å; L267-L300 HydrophobicContact CG-CD2 4.43Å; L267-D321 HydrophobicContact CD1-CB 4.37Å; L267-D321 WeakPolarHBondContact CD2-OD1 3.47Å
268	S	96.9	Very high	96.7	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.014	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	168.2	-178.5	80.8	0	0	0	0	112.8	R220 H247 D270 N271 I272	R220-S268 WeakPolarHBondContact CD-O 3.32Å; R220-S268 PolarHBondContact NH1-O 3.1Å; H247-S268 CarbonylContact O-C 3.56Å; H247-S268 VanDerWaalsContact O-CA 3.27Å; H247-S268 WeakPolarHBondContact O-CA 3.18Å; S268-D270 PolarHBondContact O-N 3.3Å; S268-D270 PolarHBondContact OG-N 3.35Å; S268-N271 PolarHBondContact O-N 3.16Å; S268-N271 PolarHBondContact OG-N 3.44Å; S268-I272 PolarHBondContact N-O 2.8Å; S268-I272 WeakPolarHBondContact OG-CB 3.45Å; S268-I272 PolarHBondContact OG-N 3.26Å
269	A	94.9	Very high	96.9	Very high	35 Å²	35	28.4 Å²	28.4	29%	0.289	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-32.4	171	0	0	0	0	0	112.8	R220 H247 N271	R220-A269 HydrophobicContact CB-CB 4.45Å; H247-A269 HydrophobicContact CB-CB 3.85Å; H247-A269 PolarHBondContact O-N 2.97Å; A269-N271 PolarHBondContact O-N 2.9Å
270	D	94.3	Very high	97	Very high	118 Å²	118	26 Å²	26	63%	0.631	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	14.8	177.3	-46.1	-56.4	0	0	0	113.3	S268 I272	S268-D270 PolarHBondContact O-N 3.3Å; S268-D270 PolarHBondContact OG-N 3.35Å; D270-I272 VanDerWaalsContact C-N 3.29Å; D270-I272 HydrophobicContact CB-CD1 4.17Å; D270-I272 HydrophobicContact CB-CG1 4.25Å; D270-I272 PolarHBondContact O-N 3.02Å
271	N	94.6	Very high	97	Very high	62 Å²	62	23.8 Å²	23.8	33%	0.332	14%	0.135	S	C	.	.	S	Bend	trans	57.3	35.6	-176.5	-59.8	-32.6	0	0	0	114.3	R220 L267 S268 A269 D321	R220-N271 PolarHBondContact NH1-OD1 2.87Å; R220-N271 PolarHBondContact NH2-OD1 2.9Å; L267-N271 VanDerWaalsContact CD1-C 3.41Å; S268-N271 PolarHBondContact O-N 3.16Å; S268-N271 PolarHBondContact OG-N 3.44Å; A269-N271 PolarHBondContact O-N 2.9Å; N271-D321 WeakPolarHBondContact CB-OD2 3.36Å
272	I	95.6	Very high	97	Very high	91 Å²	91	25 Å²	25	47%	0.467	14%	0.143	S	C	.	.			trans	-97.9	120.5	175.3	-58.6	172.1	0	0	0	109	S268 D270 L274	S268-I272 PolarHBondContact N-O 2.8Å; S268-I272 WeakPolarHBondContact OG-CB 3.45Å; S268-I272 PolarHBondContact OG-N 3.26Å; D270-I272 VanDerWaalsContact C-N 3.29Å; D270-I272 HydrophobicContact CB-CD1 4.17Å; D270-I272 HydrophobicContact CB-CG1 4.25Å; D270-I272 PolarHBondContact O-N 3.02Å; I272-L274 PolarHBondContact O-N 3.05Å
273	P	97.1	Very high	96.9	Very high	32 Å²	32	30.2 Å²	30.2	21%	0.208	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-57.4	131.4	171.3	-27.7	37	0	0	0	111.6	L267 P298 L300 K319 D320 D321	L267-P273 HydrophobicContact CD1-CG 4.23Å; P273-P298 HydrophobicContact CB-CB 3.69Å; P273-P298 HydrophobicContact CB-CG 4.06Å; P273-L300 HydrophobicContact CB-CD2 3.97Å; P273-L300 HydrophobicContact CG-CD2 4.1Å; P273-K319 VanDerWaalsContact CB-O 3.28Å; P273-K319 WeakPolarHBondContact CB-O 3.39Å; P273-K319 WeakPolarHBondContact CG-O 3.47Å; P273-D320 VanDerWaalsContact CG-C 3.47Å; P273-D321 HydrophobicContact CG-CB 4.47Å
274	L	97.5	Very high	96.8	Very high	15 Å²	15	33.5 Å²	33.5	8%	0.079	20%	0.195	C	C	.	.			trans	-104.1	140.4	-173.5	-60.5	175	0	0	0	111.5	R248 G265 G266 I272 P298 R299	R248-L274 HydrophobicContact CB-CD1 3.89Å; G265-L274 VanDerWaalsContact CA-O 3.28Å; G265-L274 WeakPolarHBondContact CA-O 3.27Å; G266-L274 VanDerWaalsContact O-CB 3.27Å; G266-L274 WeakPolarHBondContact O-CB 3.29Å; G266-L274 PolarHBondContact O-N 2.79Å; I272-L274 PolarHBondContact O-N 3.05Å; L274-P298 WeakPolarHBondContact O-CA 3.48Å; L274-P298 WeakPolarHBondContact O-CB 3.19Å; L274-R299 PolarHBondContact O-N 3.28Å
275	S	96.6	Very high	96.8	Very high	30 Å²	30	35.4 Å²	35.4	21%	0.21	20%	0.204	C	C	.	.			trans	-120.7	2.5	173.8	52.1	0	0	0	0	112.5	K295	S275-K295 WeakPolarHBondContact CB-O 3.2Å; S275-K295 VanDerWaalsContact OG-CA 3.32Å; S275-K295 WeakPolarHBondContact OG-CA 3.22Å; S275-K295 PolarHBondContact OG-O 3.13Å
276	D	96.7	Very high	96.8	Very high	25 Å²	25	37.5 Å²	37.5	13%	0.134	22%	0.218	C	C	.	.			trans	-73.9	152.7	-179.9	66.6	-21.1	0	0	0	111.5	R248 C264 G265 W278	R248-D276 IonicContact CZ-OD1 2.64Å; R248-D276 IonicContact CZ-OD2 3.19Å; R248-D276 IonicContact NH1-OD1 3.86Å; R248-D276 PolarHBondContact NH1-OD1 3.34Å; R248-D276 IonicContact NH1-OD2 2.94Å; R248-D276 IonicContact NH2-OD1 3.2Å; R248-D276 PolarHBondContact NH2-OD1 3.05Å; R248-D276 IonicContact NH2-OD2 3.69Å; R248-D276 PolarHBondContact NH2-OD2 2.92Å; C264-D276 WeakPolarHBondContact CA-O 2.9Å; G265-D276 PolarHBondContact N-O 2.9Å; D276-W278 PolarHBondContact OD2-NE1 3.48Å
277	G	96.4	Very high	96.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.2	173.5	0	0	0	0	0	111.2	L263 L290	L263-G277 CarbonylContact O-C 3.46Å; L263-G277 WeakPolarHBondContact O-CA 3.41Å; G277-L290 PolarHBondContact O-N 3.18Å
278	W	97.8	Very high	96.8	Very high	13 Å²	13	45.5 Å²	45.5	5%	0.049	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	147	-173.7	-60.6	75.6	0	0	0	110.6	E243 P245 F262 L263 D276 W287 K288 Q289	E243-W278 HydrophobicContact CB-CZ3 4.27Å; P245-W278 HydrophobicContact CB-CD2 4.15Å; P245-W278 HydrophobicContact CB-CG 4.21Å; P245-W278 HydrophobicContact CG-CB 4.23Å; P245-W278 HydrophobicContact CG-CD2 3.79Å; P245-W278 HydrophobicContact CG-CE3 4.17Å; P245-W278 HydrophobicContact CG-CG 3.82Å; F262-W278 CarbonylContact C-O 3.51Å; F262-W278 WeakPolarHBondContact CA-O 3.15Å; F262-W278 WeakPolarHBondContact CD2-O 3.34Å; L263-W278 HydrophobicContact CB-CB 4.29Å; L263-W278 HydrophobicContact CD2-CB 4.44Å; L263-W278 PolarHBondContact N-O 2.95Å; L263-W278 PolarHBondContact O-N 3.32Å; D276-W278 PolarHBondContact OD2-NE1 3.48Å; W278-W287 HydrophobicContact CB-CE3 3.59Å; W278-W287 HydrophobicContact CB-CZ3 3.93Å; W278-W287 HydrophobicContact CE3-CB 3.88Å; W278-W287 HydrophobicContact CG-CE3 4.49Å; W278-W287 HydrophobicContact CZ3-CB 4.32Å; W278-K288 WeakPolarHBondContact CA-O 3.43Å; W278-Q289 HydrophobicContact CD2-CB 3.85Å; W278-Q289 HydrophobicContact CD2-CG 3.96Å; W278-Q289 HydrophobicContact CE3-CB 3.67Å; W278-Q289 HydrophobicContact CE3-CG 4.3Å; W278-Q289 VanDerWaalsContact CE3-N 3.3Å; W278-Q289 HydrophobicContact CH2-CB 3.74Å; W278-Q289 HydrophobicContact CH2-CG 4.12Å; W278-Q289 HydrophobicContact CZ2-CB 3.89Å; W278-Q289 HydrophobicContact CZ2-CG 3.75Å; W278-Q289 HydrophobicContact CZ3-CB 3.63Å; W278-Q289 HydrophobicContact CZ3-CG 4.39Å
279	I	97.4	Very high	96.8	Very high	34 Å²	34	49.1 Å²	49.1	17%	0.174	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.6	168.2	-62.7	177	0	0	0	108.2	I256 K260 L261 F262 W287 K288 L290	I256-I279 HydrophobicContact CD1-CD1 4.06Å; I256-I279 HydrophobicContact CD1-CG1 4.17Å; I256-I279 HydrophobicContact CD1-CG2 4.18Å; K260-I279 HydrophobicContact CB-CG2 4.12Å; K260-I279 HydrophobicContact CD-CG2 4.14Å; K260-I279 HydrophobicContact CG-CG2 3.98Å; L261-I279 CarbonylContact O-C 3.5Å; L261-I279 WeakPolarHBondContact O-CA 3.28Å; F262-I279 HydrophobicContact CD2-CG1 4.08Å; I279-W287 CarbonylContact O-C 3.55Å; I279-W287 WeakPolarHBondContact O-CA 3.46Å; I279-K288 PolarHBondContact N-O 3.17Å; I279-K288 PolarHBondContact O-N 3.48Å; I279-L290 HydrophobicContact CD1-CD1 4.3Å; I279-L290 HydrophobicContact CD1-CD2 3.88Å; I279-L290 HydrophobicContact CD1-CG 4.47Å; I279-L290 HydrophobicContact CG1-CD1 4.36Å; I279-L290 HydrophobicContact CG1-CD2 4.17Å; I279-L290 HydrophobicContact CG1-CG 4.37Å
280	H	98.3	Very high	96.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.4	168.2	-172	60.1	0	0	0	109.9	L224 K260 L261 C286 W287	L224-H280 WeakPolarHBondContact CD2-NE2 3.38Å; K260-H280 VanDerWaalsContact CA-O 3.24Å; K260-H280 WeakPolarHBondContact CA-O 3.18Å; L261-H280 HydrophobicContact CB-CB 4.26Å; L261-H280 PolarHBondContact N-O 3.14Å; L261-H280 PolarHBondContact O-N 2.89Å; H280-C286 PolarHBondContact ND1-O 2.78Å; H280-W287 HydrophobicContact CB-CD2 3.67Å; H280-W287 HydrophobicContact CB-CE3 3.5Å; H280-W287 HydrophobicContact CB-CG 4.49Å; H280-W287 HydrophobicContact CB-CH2 3.65Å; H280-W287 HydrophobicContact CB-CZ2 3.78Å; H280-W287 HydrophobicContact CB-CZ3 3.51Å; H280-W287 AromaticContact CE1-NE1 3.87Å; H280-W287 AromaticContact CG-CD2 3.96Å; H280-W287 AromaticContact CG-CE2 3.72Å; H280-W287 AromaticContact CG-CZ2 3.9Å; H280-W287 AromaticContact ND1-CD1 3.53Å; H280-W287 AromaticContact ND1-CD2 3.64Å; H280-W287 AromaticContact ND1-CE2 3.41Å; H280-W287 AromaticContact ND1-CG 3.74Å; H280-W287 AromaticContact ND1-NE1 3.31Å; H280-W287 PolarHBondContact ND1-NE1 2.73Å
281	N	97.6	Very high	96.6	Very high	32 Å²	32	49 Å²	49	17%	0.171	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	116.6	166	-174.9	-68	0	0	0	109.4	D259 T283 T284 N285 C286	D259-N281 WeakPolarHBondContact O-CA 3.1Å; D259-N281 PolarHBondContact OD2-ND2 3.44Å; N281-T283 VanDerWaalsContact C-N 3.26Å; N281-T283 PolarHBondContact O-N 3.07Å; N281-T283 WeakPolarHBondContact OD1-CA 3.43Å; N281-T283 VanDerWaalsContact OD1-CB 3.27Å; N281-T283 WeakPolarHBondContact OD1-CB 3.32Å; N281-T283 PolarHBondContact OD1-N 3.03Å; N281-T284 WeakPolarHBondContact CB-OG1 3.17Å; N281-T284 PolarHBondContact O-N 2.77Å; N281-T284 PolarHBondContact OD1-N 3.5Å; N281-T284 PolarHBondContact OD1-OG1 3.21Å; N281-N285 VanDerWaalsContact O-CA 3.3Å; N281-N285 WeakPolarHBondContact O-CA 3.49Å; N281-N285 PolarHBondContact O-N 2.72Å; N281-C286 PolarHBondContact N-O 3.49Å
282	V	97.1	Very high	96.2	Very high	26 Å²	26	52.2 Å²	52.2	16%	0.158	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-13.3	-175.4	-59.5	0	0	0	0	113.8	L205 Y210 D259 L261 N285	L205-V282 HydrophobicContact CD1-CG1 3.86Å; L205-V282 HydrophobicContact CD1-CG2 4.19Å; Y210-V282 HydrophobicContact CE1-CB 4.44Å; Y210-V282 HydrophobicContact CE1-CG1 3.78Å; Y210-V282 HydrophobicContact CE2-CG1 4.2Å; Y210-V282 WeakPolarHBondContact OH-CB 3.41Å; Y210-V282 WeakPolarHBondContact OH-CG1 3.24Å; D259-V282 HydrophobicContact CB-CG2 4.3Å; D259-V282 WeakPolarHBondContact O-CG2 3.27Å; D259-V282 PolarHBondContact O-N 3.2Å; L261-V282 HydrophobicContact CD1-CG1 4.21Å; L261-V282 HydrophobicContact CG-CG1 4.39Å; V282-N285 PolarHBondContact O-OD1 2.84Å
283	T	96.7	Very high	95.8	Very high	110 Å²	110	48.9 Å²	48.9	68%	0.675	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-41.6	176.1	-56.4	0	0	0	0	110.5	N281	N281-T283 VanDerWaalsContact C-N 3.26Å; N281-T283 PolarHBondContact O-N 3.07Å; N281-T283 WeakPolarHBondContact OD1-CA 3.43Å; N281-T283 VanDerWaalsContact OD1-CB 3.27Å; N281-T283 WeakPolarHBondContact OD1-CB 3.32Å; N281-T283 PolarHBondContact OD1-N 3.03Å
284	T	97.1	Very high	95.2	Very high	68 Å²	68	50.2 Å²	50.2	42%	0.417	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-11.5	179.5	66.2	0	0	0	0	113.6	N241 N281 C286	N241-T284 PolarHBondContact ND2-O 3.45Å; N281-T284 WeakPolarHBondContact CB-OG1 3.17Å; N281-T284 PolarHBondContact O-N 2.77Å; N281-T284 PolarHBondContact OD1-N 3.5Å; N281-T284 PolarHBondContact OD1-OG1 3.21Å; T284-C286 PolarHBondContact O-N 2.99Å; T284-C286 PolarHBondContact O-SG 3.39Å; T284-C286 PolarHBondContact OG1-N 3.33Å
285	N	97.3	Very high	94.6	Very high	47 Å²	47	57.8 Å²	57.8	25%	0.251	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	29.8	-170.5	-64.3	-37.4	0	0	0	113.7	I238 N241 N281 V282	I238-N285 HydrophobicContact CG2-CB 4.31Å; N241-N285 PolarHBondContact N-O 2.78Å; N281-N285 VanDerWaalsContact O-CA 3.3Å; N281-N285 WeakPolarHBondContact O-CA 3.49Å; N281-N285 PolarHBondContact O-N 2.72Å; V282-N285 PolarHBondContact O-OD1 2.84Å
286	C	97.9	Very high	94.2	Very high	48 Å²	48	62.2 Å²	62.2	32%	0.324	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	141.8	176.9	-58.8	0	0	0	0	110.7	H280 N281 T284	H280-C286 PolarHBondContact ND1-O 2.78Å; N281-C286 PolarHBondContact N-O 3.49Å; T284-C286 PolarHBondContact O-N 2.99Å; T284-C286 PolarHBondContact O-SG 3.39Å; T284-C286 PolarHBondContact OG1-N 3.33Å
287	W	98.3	Very high	94	Very high	14 Å²	14	65.8 Å²	65.8	5%	0.053	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	147.3	164.1	-69.1	91.8	0	0	0	110.6	F212 L224 P245 L253 L263 W278 I279 H280	F212-W287 HydrophobicContact CD2-CH2 4.47Å; F212-W287 AromaticContact CD2-CZ2 3.89Å; F212-W287 HydrophobicContact CD2-CZ2 3.89Å; F212-W287 AromaticContact CE2-CZ2 3.85Å; F212-W287 HydrophobicContact CE2-CZ2 3.85Å; F212-W287 HydrophobicContact CZ-CZ2 4.46Å; L224-W287 HydrophobicContact CD2-CZ2 4.39Å; P245-W287 HydrophobicContact CG-CD2 3.67Å; P245-W287 HydrophobicContact CG-CE3 3.76Å; P245-W287 HydrophobicContact CG-CG 4.08Å; P245-W287 HydrophobicContact CG-CH2 4.43Å; P245-W287 HydrophobicContact CG-CZ2 4.39Å; P245-W287 HydrophobicContact CG-CZ3 4.13Å; L253-W287 HydrophobicContact CD1-CH2 4.05Å; L263-W287 HydrophobicContact CB-CH2 3.94Å; L263-W287 HydrophobicContact CB-CZ3 3.57Å; L263-W287 HydrophobicContact CD2-CH2 4.05Å; L263-W287 HydrophobicContact CD2-CZ3 3.95Å; L263-W287 HydrophobicContact CG-CZ3 4.4Å; W278-W287 HydrophobicContact CB-CE3 3.59Å; W278-W287 HydrophobicContact CB-CZ3 3.93Å; W278-W287 HydrophobicContact CE3-CB 3.88Å; W278-W287 HydrophobicContact CG-CE3 4.49Å; W278-W287 HydrophobicContact CZ3-CB 4.32Å; I279-W287 CarbonylContact O-C 3.55Å; I279-W287 WeakPolarHBondContact O-CA 3.46Å; H280-W287 HydrophobicContact CB-CD2 3.67Å; H280-W287 HydrophobicContact CB-CE3 3.5Å; H280-W287 HydrophobicContact CB-CG 4.49Å; H280-W287 HydrophobicContact CB-CH2 3.65Å; H280-W287 HydrophobicContact CB-CZ2 3.78Å; H280-W287 HydrophobicContact CB-CZ3 3.51Å; H280-W287 AromaticContact CE1-NE1 3.87Å; H280-W287 AromaticContact CG-CD2 3.96Å; H280-W287 AromaticContact CG-CE2 3.72Å; H280-W287 AromaticContact CG-CZ2 3.9Å; H280-W287 AromaticContact ND1-CD1 3.53Å; H280-W287 AromaticContact ND1-CD2 3.64Å; H280-W287 AromaticContact ND1-CE2 3.41Å; H280-W287 AromaticContact ND1-CG 3.74Å; H280-W287 AromaticContact ND1-NE1 3.31Å; H280-W287 PolarHBondContact ND1-NE1 2.73Å
288	K	96.7	Very high	94	Very high	153 Å²	153	66.9 Å²	66.9	67%	0.665	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	119.9	172.2	-177.9	177.6	179.4	179.2	0	109.7	W278 I279	W278-K288 WeakPolarHBondContact CA-O 3.43Å; I279-K288 PolarHBondContact N-O 3.17Å; I279-K288 PolarHBondContact O-N 3.48Å
289	Q	96.3	Very high	94	Very high	78 Å²	78	67.1 Å²	67.1	36%	0.364	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	138.7	175.5	-162.3	173.6	8.9	0	0	110.9	W278 T291	W278-Q289 HydrophobicContact CD2-CB 3.85Å; W278-Q289 HydrophobicContact CD2-CG 3.96Å; W278-Q289 HydrophobicContact CE3-CB 3.67Å; W278-Q289 HydrophobicContact CE3-CG 4.3Å; W278-Q289 VanDerWaalsContact CE3-N 3.3Å; W278-Q289 HydrophobicContact CH2-CB 3.74Å; W278-Q289 HydrophobicContact CH2-CG 4.12Å; W278-Q289 HydrophobicContact CZ2-CB 3.89Å; W278-Q289 HydrophobicContact CZ2-CG 3.75Å; W278-Q289 HydrophobicContact CZ3-CB 3.63Å; W278-Q289 HydrophobicContact CZ3-CG 4.39Å; Q289-T291 PolarHBondContact O-N 3.36Å
290	L	93.9	Very high	94	Very high	25 Å²	25	65.5 Å²	65.5	13%	0.131	34%	0.342	C	S	.	.			trans	-87.4	105.6	169.7	-60.1	-167.7	0	0	0	109.4	F262 G277 I279 H292 L293	F262-L290 HydrophobicContact CD2-CD1 4.24Å; F262-L290 HydrophobicContact CE2-CD1 3.61Å; G277-L290 PolarHBondContact O-N 3.18Å; I279-L290 HydrophobicContact CD1-CD1 4.3Å; I279-L290 HydrophobicContact CD1-CD2 3.88Å; I279-L290 HydrophobicContact CD1-CG 4.47Å; I279-L290 HydrophobicContact CG1-CD1 4.36Å; I279-L290 HydrophobicContact CG1-CD2 4.17Å; I279-L290 HydrophobicContact CG1-CG 4.37Å; L290-H292 VanDerWaalsContact C-N 3.32Å; L290-H292 PolarHBondContact O-N 2.79Å; L290-L293 HydrophobicContact CB-CD1 3.89Å; L290-L293 HydrophobicContact CB-CG 3.8Å; L290-L293 HydrophobicContact CD1-CD1 4.25Å; L290-L293 HydrophobicContact CD1-CG 4.48Å
291	T	91.1	Very high	94	Very high	125 Å²	125	67.4 Å²	67.4	77%	0.767	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-14.5	-174.7	53.4	0	0	0	0	114.4	Q289	Q289-T291 PolarHBondContact O-N 3.36Å
292	H	86.9	Confident	94	Very high	130 Å²	130	66.3 Å²	66.3	60%	0.602	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-4.3	-178.1	62.3	-89.4	0	0	0	113.6	L290	L290-H292 VanDerWaalsContact C-N 3.32Å; L290-H292 PolarHBondContact O-N 2.79Å
293	L	87.8	Confident	94.1	Very high	21 Å²	21	66 Å²	66	11%	0.11	34%	0.342	C	S	.	.	S	Bend	trans	-74.3	143.1	-179.2	-61.7	-172.6	0	0	0	111.7	F262 L290 K295 F336	F262-L293 HydrophobicContact CE2-CD1 4.45Å; F262-L293 HydrophobicContact CZ-CD1 4.29Å; L290-L293 HydrophobicContact CB-CD1 3.89Å; L290-L293 HydrophobicContact CB-CG 3.8Å; L290-L293 HydrophobicContact CD1-CD1 4.25Å; L290-L293 HydrophobicContact CD1-CG 4.48Å; L293-K295 PolarHBondContact O-N 3.48Å; L293-F336 HydrophobicContact CD1-CD1 4.26Å; L293-F336 HydrophobicContact CD1-CE1 4.1Å; L293-F336 HydrophobicContact CD2-CD1 3.49Å; L293-F336 VanDerWaalsContact CD2-CD1 3.49Å; L293-F336 HydrophobicContact CD2-CE1 3.7Å; L293-F336 HydrophobicContact CG-CD1 4.49Å; L293-F336 HydrophobicContact CG-CE1 4.39Å
294	P	83.1	Confident	94.1	Very high	60 Å²	60	61.7 Å²	61.7	39%	0.39	32%	0.317	S	S	.	.			trans	-68.6	120.3	-177.2	26.9	-33.2	0	0	0	111.1	T296	P294-T296 PolarHBondContact O-N 3.29Å
295	K	86.3	Confident	94.1	Very high	174 Å²	174	59 Å²	59	76%	0.757	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.9	178.8	-64.5	-176.2	-179.3	179.6	0	113.7	S275 L293 R297	S275-K295 WeakPolarHBondContact CB-O 3.2Å; S275-K295 VanDerWaalsContact OG-CA 3.32Å; S275-K295 WeakPolarHBondContact OG-CA 3.22Å; S275-K295 PolarHBondContact OG-O 3.13Å; L293-K295 PolarHBondContact O-N 3.48Å; K295-R297 VanDerWaalsContact C-N 3.34Å; K295-R297 PolarHBondContact O-N 2.65Å
296	T	88.3	Confident	94	Very high	124 Å²	124	59.7 Å²	59.7	76%	0.761	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-1.8	-172.2	53.4	0	0	0	0	114.5	P294 P298	P294-T296 PolarHBondContact O-N 3.29Å; T296-P298 VanDerWaalsContact C-CD 3.41Å; T296-P298 WeakPolarHBondContact O-CD 3.39Å
297	R	91.9	Very high	93.7	Very high	99 Å²	99	58 Å²	58	37%	0.374	29%	0.294	S	S	.	.			trans	-123.8	64.9	-176	-62	176.8	79.6	174.2	9.1	111.3	K295 D332	K295-R297 VanDerWaalsContact C-N 3.34Å; K295-R297 PolarHBondContact O-N 2.65Å; R297-D332 IonicContact CZ-OD2 3.88Å; R297-D332 IonicContact NE-OD2 3.53Å; R297-D332 IonicContact NH2-OD2 3.2Å; R297-D332 PolarHBondContact NH2-OD2 2.95Å
298	P	96.2	Very high	93	Very high	23 Å²	23	60.7 Å²	60.7	15%	0.149	31%	0.307	C	S	.	.			trans	-66	148.2	175.9	30.2	-34.9	0	0	0	110.7	P273 L274 T296 K319	P273-P298 HydrophobicContact CB-CB 3.69Å; P273-P298 HydrophobicContact CB-CG 4.06Å; L274-P298 WeakPolarHBondContact O-CA 3.48Å; L274-P298 WeakPolarHBondContact O-CB 3.19Å; T296-P298 VanDerWaalsContact C-CD 3.41Å; T296-P298 WeakPolarHBondContact O-CD 3.39Å; P298-K319 HydrophobicContact CG-CB 4.17Å; P298-K319 WeakPolarHBondContact CG-O 3.21Å; P298-K319 WeakPolarHBondContact O-CA 3.38Å
299	R	96.9	Very high	92.4	Very high	18 Å²	18	56.6 Å²	56.6	7%	0.068	29%	0.29	C	S	.	.			trans	-141.5	131.7	178	-66.8	-66.2	-178.5	-92.1	6.2	109.6	G265 G266 L274 H302 G316 S318 C330 D332 L334	G265-R299 WeakPolarHBondContact CA-O 3.49Å; G266-R299 PolarHBondContact N-O 3.43Å; L274-R299 PolarHBondContact O-N 3.28Å; R299-H302 VanDerWaalsContact C-ND1 3.29Å; R299-H302 HydrophobicContact CB-CB 4.18Å; R299-H302 WeakPolarHBondContact CB-ND1 3.46Å; R299-H302 PolarHBondContact O-CE1 3.2Å; R299-H302 PolarHBondContact O-ND1 2.76Å; R299-H302 VanDerWaalsContact O-ND1 3.14Å; R299-G316 WeakPolarHBondContact CD-O 3.42Å; R299-S318 CarbonylContact C-O 3.5Å; R299-S318 WeakPolarHBondContact CA-O 3.43Å; R299-C330 PolarHBondContact NH2-SG 2.96Å; R299-D332 IonicContact CZ-OD1 2.73Å; R299-D332 IonicContact CZ-OD2 2.76Å; R299-D332 IonicContact NE-OD1 3.99Å; R299-D332 PolarHBondContact NE-OD1 2.83Å; R299-D332 IonicContact NH2-OD1 3.36Å; R299-D332 PolarHBondContact NH2-OD1 3.29Å; R299-D332 IonicContact NH2-OD2 3.73Å; R299-D332 PolarHBondContact NH2-OD2 2.8Å; R299-L334 HydrophobicContact CG-CD1 3.95Å
300	L	97.9	Very high	92	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-136.4	148.4	168.6	69.3	104.7	0	0	0	110.7	W250 L267 P273 H302 G317 S318 D320 L322	W250-L300 HydrophobicContact CB-CB 4.14Å; W250-L300 HydrophobicContact CB-CD1 4.3Å; W250-L300 HydrophobicContact CD2-CD1 4.16Å; W250-L300 HydrophobicContact CE3-CD1 3.6Å; W250-L300 HydrophobicContact CZ3-CD1 4.13Å; W250-L300 WeakPolarHBondContact O-CA 3.43Å; L267-L300 HydrophobicContact CB-CB 4.47Å; L267-L300 HydrophobicContact CB-CD1 4.46Å; L267-L300 HydrophobicContact CB-CD2 4.04Å; L267-L300 HydrophobicContact CD1-CD2 3.89Å; L267-L300 HydrophobicContact CG-CD2 4.43Å; P273-L300 HydrophobicContact CB-CD2 3.97Å; P273-L300 HydrophobicContact CG-CD2 4.1Å; L300-H302 PolarHBondContact O-N 3.25Å; L300-G317 CarbonylContact O-C 3.59Å; L300-G317 VanDerWaalsContact O-CA 3.22Å; L300-G317 WeakPolarHBondContact O-CA 3.21Å; L300-S318 PolarHBondContact N-O 3.44Å; L300-S318 PolarHBondContact O-N 3.09Å; L300-D320 WeakPolarHBondContact CD2-O 3.39Å; L300-L322 HydrophobicContact CD1-CB 4.35Å; L300-L322 HydrophobicContact CD1-CD1 3.45Å; L300-L322 VanDerWaalsContact CD1-CD1 3.45Å; L300-L322 HydrophobicContact CD1-CG 3.75Å
301	W	98.2	Very high	91.9	Very high	40 Å²	40	54.4 Å²	54.4	15%	0.152	28%	0.281	C	S	.	.	S	Bend	trans	57.3	28.4	-173.8	-146.2	-0.3	0	0	0	113.2	G15 Y31 K126 W250 L322	G15-W301 VanDerWaalsContact CA-CD1 3.42Å; G15-W301 PolarHBondContact N-O 3.05Å; Y31-W301 HydrophobicContact CE1-CE3 4.06Å; Y31-W301 HydrophobicContact CE1-CH2 4.09Å; Y31-W301 AromaticContact CE1-CZ3 3.56Å; Y31-W301 HydrophobicContact CE1-CZ3 3.56Å; K126-W301 HydrophobicContact CD-CZ2 4.13Å; K126-W301 HydrophobicContact CG-CZ2 4.02Å; W250-W301 HydrophobicContact CB-CB 4.19Å; W250-W301 AromaticContact CD1-CD1 3.67Å; W250-W301 AromaticContact CD1-CD2 3.86Å; W250-W301 AromaticContact CD1-CG 3.53Å; W250-W301 HydrophobicContact CG-CB 4.07Å; W250-W301 HydrophobicContact CG-CG 4.18Å; W250-W301 HydrophobicContact CZ2-CE3 4.31Å; W250-W301 HydrophobicContact CZ2-CZ3 4.44Å; W250-W301 AromaticContact NE1-CD2 3.57Å; W250-W301 AromaticContact NE1-CE2 3.79Å; W250-W301 AromaticContact NE1-CE3 3.95Å; W250-W301 AromaticContact NE1-CG 3.79Å; W250-W301 PolarHBondContact O-N 3.28Å; W301-L322 HydrophobicContact CB-CD1 4.35Å; W301-L322 HydrophobicContact CE3-CD1 3.66Å; W301-L322 HydrophobicContact CZ3-CD1 4.39Å
302	H	98.5	Very high	92.1	Very high	10 Å²	10	48.4 Å²	48.4	5%	0.046	24%	0.244	C	C	.	.			trans	-83.8	168.3	169.4	60.5	-83.3	0	0	0	110.1	T252 C264 R299 L300 V314 G316	T252-H302 VanDerWaalsContact CG2-CD2 3.42Å; T252-H302 WeakPolarHBondContact CG2-CD2 3.24Å; T252-H302 WeakPolarHBondContact CG2-NE2 3.39Å; T252-H302 VanDerWaalsContact CG2-O 3.31Å; T252-H302 WeakPolarHBondContact CG2-O 3.32Å; T252-H302 PolarHBondContact OG1-NE2 2.89Å; C264-H302 PolarHBondContact O-CE1 3.38Å; C264-H302 PolarHBondContact O-NE2 2.96Å; R299-H302 VanDerWaalsContact C-ND1 3.29Å; R299-H302 HydrophobicContact CB-CB 4.18Å; R299-H302 WeakPolarHBondContact CB-ND1 3.46Å; R299-H302 PolarHBondContact O-CE1 3.2Å; R299-H302 PolarHBondContact O-ND1 2.76Å; R299-H302 VanDerWaalsContact O-ND1 3.14Å; L300-H302 PolarHBondContact O-N 3.25Å; H302-V314 HydrophobicContact CB-CG1 4.16Å; H302-V314 VanDerWaalsContact CD2-CG1 3.42Å; H302-V314 WeakPolarHBondContact CD2-CG1 3.26Å; H302-G316 WeakPolarHBondContact CB-O 3.48Å
303	T	98.5	Very high	92.5	Very high	19 Å²	19	42.3 Å²	42.3	12%	0.117	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	155.2	169.9	57.2	0	0	0	0	110.5	H16 A18 V314 F315	H16-T303 VanDerWaalsContact CD2-CG2 3.46Å; H16-T303 WeakPolarHBondContact CD2-CG2 3.43Å; H16-T303 VanDerWaalsContact NE2-CG2 3.26Å; H16-T303 WeakPolarHBondContact NE2-CG2 3.18Å; H16-T303 PolarHBondContact NE2-OG1 3.4Å; H16-T303 VanDerWaalsContact O-CG2 3.25Å; H16-T303 WeakPolarHBondContact O-CG2 3.28Å; A18-T303 HydrophobicContact CB-CG2 3.82Å; A18-T303 WeakPolarHBondContact CB-OG1 3.28Å; T303-V314 VanDerWaalsContact O-CA 3.23Å; T303-V314 WeakPolarHBondContact O-CA 3.43Å; T303-F315 PolarHBondContact N-O 3.05Å; T303-F315 VanDerWaalsContact N-O 3.1Å; T303-F315 PolarHBondContact O-N 3.25Å; T303-F315 VanDerWaalsContact O-N 3.08Å; T303-F315 PolarHBondContact OG1-O 2.9Å
304	A	97.9	Very high	93	Very high	20 Å²	20	41.4 Å²	41.4	17%	0.165	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	129.8	172.7	0	0	0	0	0	109.4	T252 I312 M313 V314	T252-A304 VanDerWaalsContact CB-CB 3.48Å; T252-A304 HydrophobicContact CG2-CB 3.76Å; T252-A304 WeakPolarHBondContact OG1-CB 3.11Å; A304-I312 HydrophobicContact CB-CG2 4.16Å; A304-M313 CarbonylContact C-O 3.6Å; A304-M313 VanDerWaalsContact CA-O 3.29Å; A304-M313 WeakPolarHBondContact CA-O 3.44Å; A304-V314 HydrophobicContact CB-CG2 3.79Å
305	C	96.8	Very high	93.7	Very high	12 Å²	12	38.6 Å²	38.6	8%	0.081	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	147	177	-68.7	0	0	0	0	110.7	A18 V20 L25 G307 M313	A18-C305 PolarHBondContact O-SG 3.41Å; V20-C305 HydrophobicContact CB-CB 4.2Å; V20-C305 HydrophobicContact CG2-CB 3.43Å; V20-C305 VanDerWaalsContact CG2-CB 3.43Å; L25-C305 HydrophobicContact CD1-CB 4.06Å; C305-G307 PolarHBondContact O-N 3.07Å; C305-M313 PolarHBondContact N-O 3.37Å; C305-M313 PolarHBondContact O-N 3Å
306	L	94.6	Very high	94.2	Very high	61 Å²	61	30.3 Å²	30.3	32%	0.319	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	110.9	169	-166	71.3	0	0	0	108.5	T254 I256 N310 I312	T254-L306 HydrophobicContact CG2-CB 4.08Å; I256-L306 HydrophobicContact CG2-CD1 4.26Å; L306-N310 HydrophobicContact CD1-CB 4.14Å; L306-I312 HydrophobicContact CD1-CG1 4.37Å
307	G	91.1	Very high	94.7	Very high	11 Å²	11	24.4 Å²	24.4	11%	0.113	12%	0.121	C	C	.	.			trans	-83.6	-161.8	175.7	0	0	0	0	0	112.7	C305 E311	C305-G307 PolarHBondContact O-N 3.07Å; G307-E311 WeakPolarHBondContact CA-O 3.46Å; G307-E311 PolarHBondContact N-O 3.09Å
308	K	85.1	Confident	94.9	Very high	71 Å²	71	19.7 Å²	19.7	31%	0.309	10%	0.103	S	C	.	.	G	3₁₀ helix	trans	-67.3	152.9	174.2	-72.8	-175.1	174	178.6	0	110.8	N23 I51 D52 N310 E311	N23-K308 WeakPolarHBondContact OD1-CE 3.27Å; N23-K308 PolarHBondContact OD1-NZ 2.8Å; I51-K308 HydrophobicContact CG2-CB 4.2Å; I51-K308 HydrophobicContact CG2-CD 4.36Å; I51-K308 HydrophobicContact CG2-CG 4.28Å; D52-K308 IonicContact OD1-NZ 2.74Å; D52-K308 PolarHBondContact OD1-NZ 3.35Å; D52-K308 IonicContact OD2-NZ 2.98Å; D52-K308 PolarHBondContact OD2-NZ 3.16Å; K308-N310 PolarHBondContact O-N 3.48Å; K308-E311 WeakPolarHBondContact O-CB 3.19Å; K308-E311 WeakPolarHBondContact O-CG 3.36Å; K308-E311 PolarHBondContact O-N 3.02Å; K308-E311 VanDerWaalsContact O-N 3.08Å
309	E	84.2	Confident	94.9	Very high	67 Å²	67	23.6 Å²	23.6	31%	0.313	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	54.4	25.8	178.1	-54.4	-162.3	152.9	0	0	115	E311 Q339 S342 R345	E309-E311 PolarHBondContact O-N 2.94Å; E309-Q339 PolarHBondContact O-NE2 3.08Å; E309-S342 WeakPolarHBondContact OE1-CB 3.41Å; E309-S342 PolarHBondContact OE1-OG 3.22Å; E309-R345 WeakPolarHBondContact OE1-CB 3.3Å; E309-R345 VanDerWaalsContact OE2-CB 3.24Å; E309-R345 WeakPolarHBondContact OE2-CB 3.27Å; E309-R345 VanDerWaalsContact OE2-CG 3.31Å; E309-R345 WeakPolarHBondContact OE2-CG 3.45Å
310	N	86.6	Confident	94.7	Very high	53 Å²	53	24.4 Å²	24.4	28%	0.283	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	60.2	28	-176.3	-51.1	-27.9	0	0	0	114.3	L306 K308 T338 Q339	L306-N310 HydrophobicContact CD1-CB 4.14Å; K308-N310 PolarHBondContact O-N 3.48Å; N310-T338 PolarHBondContact O-OG1 3.44Å; N310-Q339 HydrophobicContact CB-CG 4.3Å; N310-Q339 VanDerWaalsContact CB-NE2 3.35Å; N310-Q339 VanDerWaalsContact CG-NE2 3.35Å; N310-Q339 VanDerWaalsContact ND2-CD 3.3Å; N310-Q339 PolarHBondContact ND2-NE2 2.94Å; N310-Q339 PolarHBondContact ND2-OE1 2.87Å; N310-Q339 VanDerWaalsContact ND2-OE1 3.15Å
311	E	91.4	Very high	94.5	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.019	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	135.7	164.7	-69.1	171.8	145.7	0	0	109.3	G307 K308 E309 I335 Y341 R345	G307-E311 WeakPolarHBondContact CA-O 3.46Å; G307-E311 PolarHBondContact N-O 3.09Å; K308-E311 WeakPolarHBondContact O-CB 3.19Å; K308-E311 WeakPolarHBondContact O-CG 3.36Å; K308-E311 PolarHBondContact O-N 3.02Å; K308-E311 VanDerWaalsContact O-N 3.08Å; E309-E311 PolarHBondContact O-N 2.94Å; E311-I335 HydrophobicContact CB-CG2 3.91Å; E311-I335 HydrophobicContact CG-CG2 4.08Å; E311-Y341 HydrophobicContact CG-CE1 3.84Å; E311-Y341 WeakPolarHBondContact OE1-CE1 3.42Å; E311-Y341 PolarHBondContact OE1-OH 2.96Å; E311-R345 IonicContact OE1-CZ 3.66Å; E311-R345 IonicContact OE1-NH1 3.58Å; E311-R345 IonicContact OE1-NH2 3.46Å; E311-R345 PolarHBondContact OE1-NH2 2.82Å; E311-R345 IonicContact OE2-NH1 3.71Å
312	I	95.4	Very high	93.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119.7	174.9	-52.4	173.3	0	0	0	108.2	I256 F262 A304 L306 V314 I335 F336 T338	I256-I312 HydrophobicContact CG2-CD1 3.49Å; I256-I312 VanDerWaalsContact CG2-CD1 3.49Å; I256-I312 HydrophobicContact CG2-CG1 3.97Å; F262-I312 HydrophobicContact CB-CD1 3.45Å; F262-I312 VanDerWaalsContact CB-CD1 3.45Å; F262-I312 HydrophobicContact CD1-CD1 3.05Å; F262-I312 HydrophobicContact CD1-CG1 4.37Å; F262-I312 HydrophobicContact CD1-CG2 4.19Å; F262-I312 HydrophobicContact CD2-CD1 4.06Å; F262-I312 HydrophobicContact CE1-CD1 3.65Å; F262-I312 HydrophobicContact CE1-CG2 4.33Å; F262-I312 HydrophobicContact CG-CD1 3.24Å; F262-I312 HydrophobicContact CZ-CD1 4.39Å; A304-I312 HydrophobicContact CB-CG2 4.16Å; L306-I312 HydrophobicContact CD1-CG1 4.37Å; I312-V314 HydrophobicContact CG2-CG2 4.36Å; I312-I335 WeakPolarHBondContact O-CA 3.26Å; I312-F336 HydrophobicContact CB-CB 4.22Å; I312-F336 PolarHBondContact N-O 3.14Å; I312-F336 PolarHBondContact O-N 3.02Å; I312-T338 HydrophobicContact CD1-CG2 3.59Å; I312-T338 HydrophobicContact CG1-CG2 4.18Å
313	M	96.4	Very high	93.3	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	105.8	-176.6	-63.3	178.2	74.5	0	0	108.9	V20 L25 Y49 I51 A304 C305 L333	V20-M313 HydrophobicContact CG2-SD 4.43Å; L25-M313 HydrophobicContact CB-CE 3.94Å; L25-M313 HydrophobicContact CD2-CE 3.9Å; Y49-M313 HydrophobicContact CD1-CE 3.43Å; Y49-M313 VanDerWaalsContact CD1-CE 3.43Å; Y49-M313 HydrophobicContact CE1-CE 3.51Å; I51-M313 HydrophobicContact CD1-CE 4.4Å; I51-M313 HydrophobicContact CD1-SD 3.78Å; I51-M313 HydrophobicContact CG1-CE 3.8Å; I51-M313 HydrophobicContact CG1-SD 3.8Å; A304-M313 CarbonylContact C-O 3.6Å; A304-M313 VanDerWaalsContact CA-O 3.29Å; A304-M313 WeakPolarHBondContact CA-O 3.44Å; C305-M313 PolarHBondContact N-O 3.37Å; C305-M313 PolarHBondContact O-N 3Å; M313-L333 HydrophobicContact CB-CD1 4.19Å; M313-L333 HydrophobicContact CE-CD1 4.32Å; M313-L333 HydrophobicContact CE-CD2 3.79Å
314	V	97.6	Very high	92.7	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.4	175.7	166.6	0	0	0	0	109.7	H302 T303 A304 I312 L333 L334 F336	H302-V314 HydrophobicContact CB-CG1 4.16Å; H302-V314 VanDerWaalsContact CD2-CG1 3.42Å; H302-V314 WeakPolarHBondContact CD2-CG1 3.26Å; T303-V314 VanDerWaalsContact O-CA 3.23Å; T303-V314 WeakPolarHBondContact O-CA 3.43Å; A304-V314 HydrophobicContact CB-CG2 3.79Å; I312-V314 HydrophobicContact CG2-CG2 4.36Å; V314-L333 CarbonylContact O-C 3.57Å; V314-L333 WeakPolarHBondContact O-CA 3.35Å; V314-L334 HydrophobicContact CB-CB 4.12Å; V314-L334 HydrophobicContact CG1-CD1 4.2Å; V314-L334 HydrophobicContact CG1-CG 4.42Å; V314-L334 PolarHBondContact N-O 2.79Å; V314-L334 PolarHBondContact O-N 3.33Å; V314-F336 HydrophobicContact CB-CE2 4.01Å; V314-F336 HydrophobicContact CG2-CD2 4.01Å; V314-F336 HydrophobicContact CG2-CE2 3.69Å
315	F	98	Very high	92.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.2	-179.2	-178.5	-100.8	0	0	0	111.6	A10 R13 H16 L25 V27 W56 T303 N331 L333	A10-F315 HydrophobicContact CB-CE1 4.38Å; A10-F315 HydrophobicContact CB-CE2 4.21Å; A10-F315 HydrophobicContact CB-CZ 3.6Å; R13-F315 HydrophobicContact CG-CE1 3.89Å; H16-F315 AromaticContact CE1-CD1 3.99Å; H16-F315 PolarHBondContact CE1-O 3.4Å; H16-F315 AromaticContact NE2-CD1 3.5Å; H16-F315 WeakPolarHBondContact NE2-CD1 3.31Å; H16-F315 PolarHBondContact NE2-O 2.89Å; L25-F315 HydrophobicContact CD2-CB 4.44Å; V27-F315 HydrophobicContact CB-CE1 4.5Å; V27-F315 HydrophobicContact CG1-CD1 3.91Å; V27-F315 HydrophobicContact CG1-CE1 3.7Å; V27-F315 HydrophobicContact CG2-CD1 3.84Å; V27-F315 HydrophobicContact CG2-CE1 4.22Å; V27-F315 HydrophobicContact CG2-CG 4.41Å; W56-F315 HydrophobicContact CH2-CD1 4.41Å; W56-F315 AromaticContact CH2-CD2 3.63Å; W56-F315 HydrophobicContact CH2-CD2 3.63Å; W56-F315 HydrophobicContact CH2-CE1 4.44Å; W56-F315 AromaticContact CH2-CE2 3.61Å; W56-F315 HydrophobicContact CH2-CE2 3.61Å; W56-F315 HydrophobicContact CH2-CG 4.05Å; W56-F315 HydrophobicContact CH2-CZ 4.06Å; W56-F315 AromaticContact CZ2-CD2 3.51Å; W56-F315 HydrophobicContact CZ2-CD2 3.51Å; W56-F315 AromaticContact CZ2-CE2 3.43Å; W56-F315 HydrophobicContact CZ2-CE2 3.43Å; W56-F315 VanDerWaalsContact CZ2-CE2 3.43Å; W56-F315 HydrophobicContact CZ2-CG 4.35Å; W56-F315 HydrophobicContact CZ2-CZ 4.27Å; T303-F315 PolarHBondContact N-O 3.05Å; T303-F315 VanDerWaalsContact N-O 3.1Å; T303-F315 PolarHBondContact O-N 3.25Å; T303-F315 VanDerWaalsContact O-N 3.08Å; T303-F315 PolarHBondContact OG1-O 2.9Å; F315-N331 VanDerWaalsContact CE2-O 3.25Å; F315-N331 WeakPolarHBondContact CE2-O 3.26Å; F315-L333 HydrophobicContact CB-CD1 3.93Å; F315-L333 HydrophobicContact CD2-CD1 4.32Å
316	G	97.8	Very high	91.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.01	20%	0.196	C	C	.	.			trans	62	-145.9	172.7	0	0	0	0	0	114.8	R299 H302 C330	R299-G316 WeakPolarHBondContact CD-O 3.42Å; H302-G316 WeakPolarHBondContact CB-O 3.48Å; G316-C330 VanDerWaalsContact CA-O 3.24Å; G316-C330 WeakPolarHBondContact CA-O 3.31Å
317	G	97.9	Very high	91.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.205	C	C	.	.			trans	79.2	-173.9	-171.3	0	0	0	0	0	112.7	R13 L300 H329 C330	R13-G317 PolarHBondContact O-N 3.34Å; L300-G317 CarbonylContact O-C 3.59Å; L300-G317 VanDerWaalsContact O-CA 3.22Å; L300-G317 WeakPolarHBondContact O-CA 3.21Å; G317-H329 CarbonylContact O-C 3.58Å; G317-H329 WeakPolarHBondContact O-CA 3.07Å; G317-C330 WeakPolarHBondContact O-CB 2.98Å; G317-C330 PolarHBondContact O-N 3.05Å
318	S	96.6	Very high	91.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-113.4	148.1	178.4	-177.8	0	0	0	0	112.1	S14 R299 L300 D320 L322 G328	S14-S318 PolarHBondContact OG-N 2.94Å; R299-S318 CarbonylContact C-O 3.5Å; R299-S318 WeakPolarHBondContact CA-O 3.43Å; L300-S318 PolarHBondContact N-O 3.44Å; L300-S318 PolarHBondContact O-N 3.09Å; S318-D320 PolarHBondContact OG-N 2.79Å; S318-D320 VanDerWaalsContact OG-N 3.13Å; S318-L322 VanDerWaalsContact CB-CD2 3.43Å; S318-L322 WeakPolarHBondContact OG-CD2 3.34Å; S318-G328 VanDerWaalsContact CA-O 3.32Å; S318-G328 WeakPolarHBondContact CA-O 3.41Å; S318-G328 PolarHBondContact OG-O 2.87Å
319	K	95.2	Very high	92	Very high	105 Å²	105	34.3 Å²	34.3	46%	0.457	19%	0.19	S	C	.	.	S	Bend	trans	-90.5	-11.9	171.4	72.5	-169.6	176.2	179.8	0	113.1	P273 P298 G328	P273-K319 VanDerWaalsContact CB-O 3.28Å; P273-K319 WeakPolarHBondContact CB-O 3.39Å; P273-K319 WeakPolarHBondContact CG-O 3.47Å; P298-K319 HydrophobicContact CG-CB 4.17Å; P298-K319 WeakPolarHBondContact CG-O 3.21Å; P298-K319 WeakPolarHBondContact O-CA 3.38Å; K319-G328 PolarHBondContact N-O 2.73Å
320	D	93.4	Very high	92.6	Very high	34 Å²	34	31.7 Å²	31.7	18%	0.182	18%	0.179	C	C	.	.	S	Bend	trans	-103.6	164.2	-175	-62.2	-27.6	0	0	0	111.6	P273 L300 S318 L322 L325 G328	P273-D320 VanDerWaalsContact CG-C 3.47Å; L300-D320 WeakPolarHBondContact CD2-O 3.39Å; S318-D320 PolarHBondContact OG-N 2.79Å; S318-D320 VanDerWaalsContact OG-N 3.13Å; D320-L322 PolarHBondContact O-N 3.23Å; D320-L325 HydrophobicContact CB-CB 4.49Å; D320-L325 VanDerWaalsContact CB-O 3.31Å; D320-L325 WeakPolarHBondContact CB-O 3.41Å; D320-G328 WeakPolarHBondContact OD2-CA 3.4Å; D320-G328 PolarHBondContact OD2-N 2.81Å
321	D	92.4	Very high	93	Very high	28 Å²	28	32 Å²	32	15%	0.15	18%	0.181	C	C	.	.			trans	-70.9	97.4	165.9	176.4	20.5	0	0	0	109.1	L267 N271 P273 L323 A324 L325	L267-D321 HydrophobicContact CD1-CB 4.37Å; L267-D321 WeakPolarHBondContact CD2-OD1 3.47Å; N271-D321 WeakPolarHBondContact CB-OD2 3.36Å; P273-D321 HydrophobicContact CG-CB 4.47Å; D321-L323 PolarHBondContact O-N 2.76Å; D321-L323 PolarHBondContact OD1-N 3.43Å; D321-A324 HydrophobicContact CB-CB 4.34Å; D321-A324 PolarHBondContact O-N 3.23Å; D321-L325 CarbonylContact C-O 3.6Å; D321-L325 PolarHBondContact O-N 3.23Å; D321-L325 VanDerWaalsContact O-O 3.11Å
322	L	86.9	Confident	93.1	Very high	18 Å²	18	33.7 Å²	33.7	9%	0.094	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-20.7	-179.2	-71.2	178.6	0	0	0	114.3	L300 W301 S318 D320 D326	L300-L322 HydrophobicContact CD1-CB 4.35Å; L300-L322 HydrophobicContact CD1-CD1 3.45Å; L300-L322 VanDerWaalsContact CD1-CD1 3.45Å; L300-L322 HydrophobicContact CD1-CG 3.75Å; W301-L322 HydrophobicContact CB-CD1 4.35Å; W301-L322 HydrophobicContact CE3-CD1 3.66Å; W301-L322 HydrophobicContact CZ3-CD1 4.39Å; S318-L322 VanDerWaalsContact CB-CD2 3.43Å; S318-L322 WeakPolarHBondContact OG-CD2 3.34Å; D320-L322 PolarHBondContact O-N 3.23Å; L322-D326 HydrophobicContact CD2-CB 4.22Å; L322-D326 VanDerWaalsContact CD2-CG 3.46Å; L322-D326 WeakPolarHBondContact CD2-OD1 3.42Å
323	L	85.2	Confident	93	Very high	109 Å²	109	35.3 Å²	35.3	57%	0.571	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-19.1	177.2	-60.4	176.9	0	0	0	113.1	W250 D321	W250-L323 HydrophobicContact CH2-CD2 4.11Å; W250-L323 HydrophobicContact CH2-CG 4.36Å; W250-L323 HydrophobicContact CZ3-CG 4.44Å; D321-L323 PolarHBondContact O-N 2.76Å; D321-L323 PolarHBondContact OD1-N 3.43Å
324	A	85.8	Confident	92.9	Very high	84 Å²	84	35.8 Å²	35.8	69%	0.694	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.5	-35.5	-176.2	0	0	0	0	0	112.7	D321	D321-A324 HydrophobicContact CB-CB 4.34Å; D321-A324 PolarHBondContact O-N 3.23Å
325	L	86.5	Confident	92.6	Very high	86 Å²	86	38.7 Å²	38.7	45%	0.45	22%	0.215	S	C	.	.			trans	-146.9	114.9	178.7	-178.8	67	0	0	0	109.4	D320 D321 T327	D320-L325 HydrophobicContact CB-CB 4.49Å; D320-L325 VanDerWaalsContact CB-O 3.31Å; D320-L325 WeakPolarHBondContact CB-O 3.41Å; D321-L325 CarbonylContact C-O 3.6Å; D321-L325 PolarHBondContact O-N 3.23Å; D321-L325 VanDerWaalsContact O-O 3.11Å; L325-T327 HydrophobicContact CD1-CG2 4.07Å
326	D	87.3	Confident	92.3	Very high	25 Å²	25	40 Å²	40	13%	0.134	22%	0.221	C	C	.	.			trans	-110.3	71.2	178.3	-162.9	3.3	0	0	0	110.4	Y31 S33 L322 H329	Y31-D326 WeakPolarHBondContact CE2-OD2 3.47Å; Y31-D326 VanDerWaalsContact CZ-OD2 3.3Å; Y31-D326 PolarHBondContact OH-OD2 2.83Å; S33-D326 WeakPolarHBondContact CB-O 3.01Å; S33-D326 PolarHBondContact OG-O 3Å; L322-D326 HydrophobicContact CD2-CB 4.22Å; L322-D326 VanDerWaalsContact CD2-CG 3.46Å; L322-D326 WeakPolarHBondContact CD2-OD1 3.42Å; D326-H329 IonicContact OD1-CD2 3.81Å; D326-H329 IonicContact OD1-CE1 2.65Å; D326-H329 PolarHBondContact OD1-CE1 3.05Å; D326-H329 IonicContact OD1-NE2 3.25Å; D326-H329 PolarHBondContact OD1-NE2 2.88Å; D326-H329 IonicContact OD2-NE2 3.78Å
327	T	88.6	Confident	91.9	Very high	83 Å²	83	43.7 Å²	43.7	51%	0.509	24%	0.238	S	C	.	.			trans	-134	-7.7	174.7	58.3	0	0	0	0	112.3	L325 H329	L325-T327 HydrophobicContact CD1-CG2 4.07Å; T327-H329 VanDerWaalsContact C-N 3.31Å; T327-H329 PolarHBondContact O-N 3.17Å
328	G	92.1	Very high	91.2	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.01	25%	0.25	C	C	.	.			trans	-88.5	23.5	-171.3	0	0	0	0	0	115.7	S318 K319 D320 C330	S318-G328 VanDerWaalsContact CA-O 3.32Å; S318-G328 WeakPolarHBondContact CA-O 3.41Å; S318-G328 PolarHBondContact OG-O 2.87Å; K319-G328 PolarHBondContact N-O 2.73Å; D320-G328 WeakPolarHBondContact OD2-CA 3.4Å; D320-G328 PolarHBondContact OD2-N 2.81Å; G328-C330 PolarHBondContact O-SG 3.36Å; G328-C330 VanDerWaalsContact O-SG 3.33Å
329	H	96.4	Very high	90.6	Very high	18 Å²	18	49.3 Å²	49.3	8%	0.083	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-58.4	143.3	176.8	-59.7	-82.3	0	0	0	111	E12 S14 Y31 V32 S33 G317 D326 T327	E12-H329 HydrophobicContact CB-CB 3.91Å; E12-H329 HydrophobicContact CG-CB 4.05Å; S14-H329 WeakPolarHBondContact CB-ND1 3.37Å; S14-H329 PolarHBondContact OG-CE1 2.85Å; S14-H329 PolarHBondContact OG-ND1 3.01Å; Y31-H329 AromaticContact CE2-CE1 3.78Å; Y31-H329 AromaticContact CZ-CE1 3.73Å; V32-H329 WeakPolarHBondContact CA-NE2 3.33Å; V32-H329 HydrophobicContact CG1-CB 4.24Å; S33-H329 PolarHBondContact N-CD2 2.9Å; S33-H329 PolarHBondContact N-NE2 3.17Å; G317-H329 CarbonylContact O-C 3.58Å; G317-H329 WeakPolarHBondContact O-CA 3.07Å; D326-H329 IonicContact OD1-CD2 3.81Å; D326-H329 IonicContact OD1-CE1 2.65Å; D326-H329 PolarHBondContact OD1-CE1 3.05Å; D326-H329 IonicContact OD1-NE2 3.25Å; D326-H329 PolarHBondContact OD1-NE2 2.88Å; D326-H329 IonicContact OD2-NE2 3.78Å; T327-H329 VanDerWaalsContact C-N 3.31Å; T327-H329 PolarHBondContact O-N 3.17Å
330	C	96.3	Very high	90.3	Very high	12 Å²	12	49.8 Å²	49.8	8%	0.081	28%	0.281	C	S	.	.			trans	-119.3	152.2	-176.2	-64.3	0	0	0	0	110.1	E12 R13 R299 G316 G317 G328 D332	E12-C330 VanDerWaalsContact CA-O 3.27Å; E12-C330 WeakPolarHBondContact CA-O 3.43Å; R13-C330 PolarHBondContact N-O 3.32Å; R299-C330 PolarHBondContact NH2-SG 2.96Å; G316-C330 VanDerWaalsContact CA-O 3.24Å; G316-C330 WeakPolarHBondContact CA-O 3.31Å; G317-C330 WeakPolarHBondContact O-CB 2.98Å; G317-C330 PolarHBondContact O-N 3.05Å; G328-C330 PolarHBondContact O-SG 3.36Å; G328-C330 VanDerWaalsContact O-SG 3.33Å; C330-D332 WeakPolarHBondContact CB-OD1 3.29Å
331	N	95.6	Very high	90.2	Very high	61 Å²	61	51.5 Å²	51.5	33%	0.326	29%	0.285	S	S	.	.			trans	-126.7	9.1	174.8	69.6	-11.9	0	0	0	113.4	A10 E12 F315	A10-N331 WeakPolarHBondContact O-CB 3.41Å; E12-N331 HydrophobicContact CB-CB 3.9Å; F315-N331 VanDerWaalsContact CE2-O 3.25Å; F315-N331 WeakPolarHBondContact CE2-O 3.26Å
332	D	93	Very high	90.1	Very high	39 Å²	39	52.4 Å²	52.4	21%	0.209	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-86.6	153	-179.3	61.1	-17.5	0	0	0	111.7	R297 R299 C330	R297-D332 IonicContact CZ-OD2 3.88Å; R297-D332 IonicContact NE-OD2 3.53Å; R297-D332 IonicContact NH2-OD2 3.2Å; R297-D332 PolarHBondContact NH2-OD2 2.95Å; R299-D332 IonicContact CZ-OD1 2.73Å; R299-D332 IonicContact CZ-OD2 2.76Å; R299-D332 IonicContact NE-OD1 3.99Å; R299-D332 PolarHBondContact NE-OD1 2.83Å; R299-D332 IonicContact NH2-OD1 3.36Å; R299-D332 PolarHBondContact NH2-OD1 3.29Å; R299-D332 IonicContact NH2-OD2 3.73Å; R299-D332 PolarHBondContact NH2-OD2 2.8Å; C330-D332 WeakPolarHBondContact CB-OD1 3.29Å
333	L	93.6	Very high	90.5	Very high	34 Å²	34	58.3 Å²	58.3	18%	0.178	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.8	174.9	-172.7	71.9	0	0	0	109.1	L25 Y49 M313 V314 F315 I335	L25-L333 HydrophobicContact CD2-CD1 3.91Å; Y49-L333 HydrophobicContact CD1-CD2 3.98Å; Y49-L333 HydrophobicContact CD2-CD2 4.34Å; Y49-L333 HydrophobicContact CE1-CD2 3.46Å; Y49-L333 VanDerWaalsContact CE1-CD2 3.46Å; Y49-L333 HydrophobicContact CE2-CD2 3.86Å; Y49-L333 HydrophobicContact CG-CD2 4.36Å; M313-L333 HydrophobicContact CB-CD1 4.19Å; M313-L333 HydrophobicContact CE-CD1 4.32Å; M313-L333 HydrophobicContact CE-CD2 3.79Å; V314-L333 CarbonylContact O-C 3.57Å; V314-L333 WeakPolarHBondContact O-CA 3.35Å; F315-L333 HydrophobicContact CB-CD1 3.93Å; F315-L333 HydrophobicContact CD2-CD1 4.32Å; L333-I335 HydrophobicContact CD2-CD1 4.2Å; L333-I335 HydrophobicContact CD2-CG1 4.22Å; L333-I335 HydrophobicContact CG-CG1 4.24Å
334	L	93.8	Very high	90.9	Very high	12 Å²	12	57.6 Å²	57.6	6%	0.063	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	128.4	170.4	-42.6	-179.9	0	0	0	108.6	R299 V314 F336	R299-L334 HydrophobicContact CG-CD1 3.95Å; V314-L334 HydrophobicContact CB-CB 4.12Å; V314-L334 HydrophobicContact CG1-CD1 4.2Å; V314-L334 HydrophobicContact CG1-CG 4.42Å; V314-L334 PolarHBondContact N-O 2.79Å; V314-L334 PolarHBondContact O-N 3.33Å; L334-F336 HydrophobicContact CB-CD2 4.49Å; L334-F336 HydrophobicContact CB-CE2 3.75Å; L334-F336 HydrophobicContact CB-CZ 4.02Å; L334-F336 HydrophobicContact CD1-CE2 4.25Å; L334-F336 HydrophobicContact CD1-CZ 4.01Å
335	I	92.4	Very high	91.2	Very high	63 Å²	63	54.3 Å²	54.3	32%	0.323	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.8	176.5	-58.6	-180	0	0	0	108.1	E311 I312 L333	E311-I335 HydrophobicContact CB-CG2 3.91Å; E311-I335 HydrophobicContact CG-CG2 4.08Å; I312-I335 WeakPolarHBondContact O-CA 3.26Å; L333-I335 HydrophobicContact CD2-CD1 4.2Å; L333-I335 HydrophobicContact CD2-CG1 4.22Å; L333-I335 HydrophobicContact CG-CG1 4.24Å
336	F	92.1	Very high	91.5	Very high	26 Å²	26	52.8 Å²	52.8	11%	0.114	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125.7	175.3	-57.7	-82.9	0	0	0	110.3	F262 L293 I312 V314 L334	F262-F336 HydrophobicContact CE1-CD2 4.23Å; F262-F336 HydrophobicContact CE1-CG 4.35Å; F262-F336 HydrophobicContact CZ-CB 4.28Å; F262-F336 HydrophobicContact CZ-CD1 4.39Å; F262-F336 HydrophobicContact CZ-CD2 4.37Å; F262-F336 HydrophobicContact CZ-CG 4.09Å; L293-F336 HydrophobicContact CD1-CD1 4.26Å; L293-F336 HydrophobicContact CD1-CE1 4.1Å; L293-F336 HydrophobicContact CD2-CD1 3.49Å; L293-F336 VanDerWaalsContact CD2-CD1 3.49Å; L293-F336 HydrophobicContact CD2-CE1 3.7Å; L293-F336 HydrophobicContact CG-CD1 4.49Å; L293-F336 HydrophobicContact CG-CE1 4.39Å; I312-F336 HydrophobicContact CB-CB 4.22Å; I312-F336 PolarHBondContact N-O 3.14Å; I312-F336 PolarHBondContact O-N 3.02Å; V314-F336 HydrophobicContact CB-CE2 4.01Å; V314-F336 HydrophobicContact CG2-CD2 4.01Å; V314-F336 HydrophobicContact CG2-CE2 3.69Å; L334-F336 HydrophobicContact CB-CD2 4.49Å; L334-F336 HydrophobicContact CB-CE2 3.75Å; L334-F336 HydrophobicContact CB-CZ 4.02Å; L334-F336 HydrophobicContact CD1-CE2 4.25Å; L334-F336 HydrophobicContact CD1-CZ 4.01Å
337	Q	88.9	Confident	91.9	Very high	80 Å²	80	54.4 Å²	54.4	37%	0.374	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.4	176.3	-177.2	172.3	11.7	0	0	109.6	Q339 Y341	Q337-Q339 VanDerWaalsContact CD-O 3.31Å; Q337-Q339 WeakPolarHBondContact CG-O 3.14Å; Q337-Q339 PolarHBondContact NE2-O 2.96Å; Q337-Y341 HydrophobicContact CG-CE1 4.35Å
338	T	84.1	Confident	92.2	Very high	39 Å²	39	51.1 Å²	51.1	24%	0.239	28%	0.279	C	S	.	.	S	Bend	trans	-98.4	-12.1	177.7	59.8	0	0	0	0	113.7	I256 N310 I312	I256-T338 HydrophobicContact CD1-CG2 3.89Å; I256-T338 HydrophobicContact CG2-CG2 4.19Å; N310-T338 PolarHBondContact O-OG1 3.44Å; I312-T338 HydrophobicContact CD1-CG2 3.59Å; I312-T338 HydrophobicContact CG1-CG2 4.18Å
339	Q	83.9	Confident	92.3	Very high	79 Å²	79	51.7 Å²	51.7	37%	0.369	28%	0.282	S	S	.	.	S	Bend	trans	-149.5	156	179.2	64.3	-177.6	15.9	0	0	110.8	E309 N310 Q337	E309-Q339 PolarHBondContact O-NE2 3.08Å; N310-Q339 HydrophobicContact CB-CG 4.3Å; N310-Q339 VanDerWaalsContact CB-NE2 3.35Å; N310-Q339 VanDerWaalsContact CG-NE2 3.35Å; N310-Q339 VanDerWaalsContact ND2-CD 3.3Å; N310-Q339 PolarHBondContact ND2-NE2 2.94Å; N310-Q339 PolarHBondContact ND2-OE1 2.87Å; N310-Q339 VanDerWaalsContact ND2-OE1 3.15Å; Q337-Q339 VanDerWaalsContact CD-O 3.31Å; Q337-Q339 WeakPolarHBondContact CG-O 3.14Å; Q337-Q339 PolarHBondContact NE2-O 2.96Å
340	P	88.2	Confident	92.3	Very high	115 Å²	115	54.2 Å²	54.2	75%	0.747	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-57.4	148	177.2	-23.6	34.4	0	0	0	113.2
341	Y	90.4	Very high	92.2	Very high	70 Å²	70	55.5 Å²	55.5	28%	0.275	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-67.6	154.4	174.9	-67.2	-50.2	0	0	0	111.5	E311 Q337 R345	E311-Y341 HydrophobicContact CG-CE1 3.84Å; E311-Y341 WeakPolarHBondContact OE1-CE1 3.42Å; E311-Y341 PolarHBondContact OE1-OH 2.96Å; Q337-Y341 HydrophobicContact CG-CE1 4.35Å; Y341-R345 HydrophobicContact CD1-CG 4.13Å; Y341-R345 HydrophobicContact CG-CG 4.07Å
342	S	91.6	Very high	92.2	Very high	46 Å²	46	52.7 Å²	52.7	32%	0.322	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-62.3	154.9	171	72.5	0	0	0	0	110.9	E309 L344 R345 S346	E309-S342 WeakPolarHBondContact OE1-CB 3.41Å; E309-S342 PolarHBondContact OE1-OG 3.22Å; S342-L344 PolarHBondContact O-N 2.96Å; S342-R345 PolarHBondContact O-N 2.86Å; S342-R345 VanDerWaalsContact OG-CB 3.31Å; S342-R345 WeakPolarHBondContact OG-CB 3.31Å; S342-R345 PolarHBondContact OG-N 2.81Å; S342-S346 WeakPolarHBondContact O-CB 3.49Å; S342-S346 PolarHBondContact O-N 3.02Å; S342-S346 PolarHBondContact O-OG 3.43Å
343	L	94.4	Very high	92.3	Very high	143 Å²	143	56.7 Å²	56.7	75%	0.749	31%	0.307	S	S	*	.	H	α-helix	trans	-58.2	-40.4	173.4	178.8	61.2	0	0	0	110.6	S346 C347	L343-S346 PolarHBondContact O-N 2.7Å; L343-C347 WeakPolarHBondContact O-CB 3.31Å; L343-C347 PolarHBondContact O-N 2.88Å; L343-C347 PolarHBondContact O-SG 3.06Å
344	L	93.6	Very high	92.4	Very high	93 Å²	93	58.4 Å²	58.4	49%	0.487	32%	0.317	S	S	.	.	H	α-helix	trans	-58.7	-52	176.3	177.3	61.6	0	0	0	111.1	S342 S346 C347 L348 L369	S342-L344 PolarHBondContact O-N 2.96Å; L344-S346 VanDerWaalsContact C-N 3.31Å; L344-S346 PolarHBondContact O-N 3.46Å; L344-C347 PolarHBondContact O-N 2.97Å; L344-L348 HydrophobicContact CD1-CD1 4.21Å; L344-L348 HydrophobicContact CD1-CG 4.18Å; L344-L348 HydrophobicContact CG-CD1 4.05Å; L344-L348 HydrophobicContact CG-CG 4.43Å; L344-L348 VanDerWaalsContact O-CG 3.3Å; L344-L348 WeakPolarHBondContact O-CG 3.02Å; L344-L348 PolarHBondContact O-N 3.45Å; L344-L369 HydrophobicContact CD1-CD1 4.45Å
345	R	91.8	Very high	92.3	Very high	16 Å²	16	59.3 Å²	59.3	6%	0.06	32%	0.324	C	S	.	.	H	α-helix	trans	-58.3	-44.3	177	175.1	59.9	178.9	-93.6	-10.6	111.8	E309 E311 Y341 S342 C347 L348 D349	E309-R345 WeakPolarHBondContact OE1-CB 3.3Å; E309-R345 VanDerWaalsContact OE2-CB 3.24Å; E309-R345 WeakPolarHBondContact OE2-CB 3.27Å; E309-R345 VanDerWaalsContact OE2-CG 3.31Å; E309-R345 WeakPolarHBondContact OE2-CG 3.45Å; E311-R345 IonicContact OE1-CZ 3.66Å; E311-R345 IonicContact OE1-NH1 3.58Å; E311-R345 IonicContact OE1-NH2 3.46Å; E311-R345 PolarHBondContact OE1-NH2 2.82Å; E311-R345 IonicContact OE2-NH1 3.71Å; Y341-R345 HydrophobicContact CD1-CG 4.13Å; Y341-R345 HydrophobicContact CG-CG 4.07Å; S342-R345 PolarHBondContact O-N 2.86Å; S342-R345 VanDerWaalsContact OG-CB 3.31Å; S342-R345 WeakPolarHBondContact OG-CB 3.31Å; S342-R345 PolarHBondContact OG-N 2.81Å; R345-C347 VanDerWaalsContact C-N 3.32Å; R345-C347 PolarHBondContact O-N 3.43Å; R345-L348 PolarHBondContact O-N 2.9Å; R345-D349 IonicContact CZ-OD2 3.8Å; R345-D349 IonicContact NE-OD1 3.58Å; R345-D349 PolarHBondContact NE-OD1 3.2Å; R345-D349 IonicContact NE-OD2 3.56Å; R345-D349 PolarHBondContact NE-OD2 2.94Å; R345-D349 IonicContact NH2-OD2 2.78Å; R345-D349 WeakPolarHBondContact O-CB 2.85Å; R345-D349 PolarHBondContact O-N 3.16Å
346	S	94.2	Very high	92.4	Very high	53 Å²	53	63.5 Å²	63.5	37%	0.371	35%	0.345	S	S	.	.	H	α-helix	trans	-60	-42.4	177.6	-56.3	0	0	0	0	111.9	S342 L343 L344 C350	S342-S346 WeakPolarHBondContact O-CB 3.49Å; S342-S346 PolarHBondContact O-N 3.02Å; S342-S346 PolarHBondContact O-OG 3.43Å; L343-S346 PolarHBondContact O-N 2.7Å; L344-S346 VanDerWaalsContact C-N 3.31Å; L344-S346 PolarHBondContact O-N 3.46Å; S346-C350 WeakPolarHBondContact O-CB 3Å; S346-C350 PolarHBondContact O-N 3.38Å
347	C	95.4	Very high	92.5	Very high	60 Å²	60	69 Å²	69	41%	0.405	37%	0.373	S	S	.	.	H	α-helix	trans	-65.2	-45	174.7	-69.8	0	0	0	0	111.8	L343 L344 R345 D349 C350 I351	L343-C347 WeakPolarHBondContact O-CB 3.31Å; L343-C347 PolarHBondContact O-N 2.88Å; L343-C347 PolarHBondContact O-SG 3.06Å; L344-C347 PolarHBondContact O-N 2.97Å; R345-C347 VanDerWaalsContact C-N 3.32Å; R345-C347 PolarHBondContact O-N 3.43Å; C347-D349 VanDerWaalsContact C-N 3.34Å; C347-D349 PolarHBondContact O-N 3.03Å; C347-C350 WeakPolarHBondContact O-CB 3.33Å; C347-C350 PolarHBondContact O-N 3.19Å; C347-I351 VanDerWaalsContact O-CG1 3.28Å; C347-I351 WeakPolarHBondContact O-CG1 3.41Å; C347-I351 PolarHBondContact O-N 3.18Å
348	L	95.1	Very high	92.8	Very high	13 Å²	13	67.1 Å²	67.1	7%	0.068	37%	0.365	C	S	.	.	H	α-helix	trans	-62	-41.3	178.5	-68.8	173	0	0	0	111.8	L344 R345 I351 G352 L369 Q372 V373 K376	L344-L348 HydrophobicContact CD1-CD1 4.21Å; L344-L348 HydrophobicContact CD1-CG 4.18Å; L344-L348 HydrophobicContact CG-CD1 4.05Å; L344-L348 HydrophobicContact CG-CG 4.43Å; L344-L348 VanDerWaalsContact O-CG 3.3Å; L344-L348 WeakPolarHBondContact O-CG 3.02Å; L344-L348 PolarHBondContact O-N 3.45Å; R345-L348 PolarHBondContact O-N 2.9Å; L348-I351 PolarHBondContact O-N 2.82Å; L348-G352 PolarHBondContact O-N 2.64Å; L348-L369 HydrophobicContact CD2-CD1 3.83Å; L348-Q372 HydrophobicContact CD1-CB 4.15Å; L348-Q372 HydrophobicContact CD2-CB 4.03Å; L348-V373 HydrophobicContact CD2-CG2 3.53Å; L348-K376 HydrophobicContact CB-CG 3.88Å
349	D	93.6	Very high	93.2	Very high	14 Å²	14	72.1 Å²	72.1	8%	0.075	39%	0.386	C	S	.	.	H	α-helix	trans	-67.9	-38	175.9	-77	-24.6	0	0	0	111.8	R345 C347 G352 K353 W380	R345-D349 IonicContact CZ-OD2 3.8Å; R345-D349 IonicContact NE-OD1 3.58Å; R345-D349 PolarHBondContact NE-OD1 3.2Å; R345-D349 IonicContact NE-OD2 3.56Å; R345-D349 PolarHBondContact NE-OD2 2.94Å; R345-D349 IonicContact NH2-OD2 2.78Å; R345-D349 WeakPolarHBondContact O-CB 2.85Å; R345-D349 PolarHBondContact O-N 3.16Å; C347-D349 VanDerWaalsContact C-N 3.34Å; C347-D349 PolarHBondContact O-N 3.03Å; D349-G352 PolarHBondContact O-N 3.2Å; D349-K353 WeakPolarHBondContact O-CB 3.11Å; D349-K353 VanDerWaalsContact O-CG 3.29Å; D349-K353 WeakPolarHBondContact O-CG 3.43Å; D349-K353 PolarHBondContact O-N 2.82Å; D349-W380 HydrophobicContact CB-CZ2 4.26Å; D349-W380 PolarHBondContact OD1-NE1 2.76Å
350	C	95.8	Very high	93.6	Very high	70 Å²	70	72.1 Å²	72.1	47%	0.473	40%	0.395	S	S	.	.	H	α-helix	trans	-60.9	-46.8	173.3	-176	0	0	0	0	111.5	S346 C347 N354	S346-C350 WeakPolarHBondContact O-CB 3Å; S346-C350 PolarHBondContact O-N 3.38Å; C347-C350 WeakPolarHBondContact O-CB 3.33Å; C347-C350 PolarHBondContact O-N 3.19Å; C350-N354 PolarHBondContact O-N 3.43Å; C350-N354 PolarHBondContact O-ND2 3.2Å
351	I	95.8	Very high	93.9	Very high	39 Å²	39	71.3 Å²	71.3	20%	0.2	38%	0.381	C	S	.	.	H	α-helix	trans	-64.1	-44.7	177	-63	163.4	0	0	0	110.3	C347 L348 K353 N354 S355 L358 I362 V373	C347-I351 VanDerWaalsContact O-CG1 3.28Å; C347-I351 WeakPolarHBondContact O-CG1 3.41Å; C347-I351 PolarHBondContact O-N 3.18Å; L348-I351 PolarHBondContact O-N 2.82Å; I351-K353 PolarHBondContact O-N 3.27Å; I351-N354 CarbonylContact O-C 3.56Å; I351-N354 PolarHBondContact O-N 3.24Å; I351-S355 WeakPolarHBondContact O-CA 3.47Å; I351-S355 PolarHBondContact O-N 2.9Å; I351-S355 VanDerWaalsContact O-N 3.08Å; I351-L358 HydrophobicContact CB-CD1 4.27Å; I351-L358 HydrophobicContact CG1-CD1 4.13Å; I351-L358 HydrophobicContact CG2-CD1 4.13Å; I351-I362 HydrophobicContact CG2-CD1 4.09Å; I351-I362 HydrophobicContact CG2-CG1 3.96Å; I351-V373 HydrophobicContact CD1-CG2 4.15Å; I351-V373 HydrophobicContact CG2-CG1 3.53Å; I351-V373 HydrophobicContact CG2-CG2 4.19Å
352	G	94.5	Very high	94.1	Very high	3 Å²	3	68.7 Å²	68.7	3%	0.031	37%	0.372	C	S	.	.	H	α-helix	trans	-58.5	-44.8	179.7	0	0	0	0	0	113.4	L348 D349 N354	L348-G352 PolarHBondContact O-N 2.64Å; D349-G352 PolarHBondContact O-N 3.2Å; G352-N354 VanDerWaalsContact C-N 3.32Å; G352-N354 PolarHBondContact O-N 3.31Å
353	K	94.9	Very high	94.1	Very high	122 Å²	122	70.5 Å²	70.5	53%	0.53	39%	0.385	S	S	.	.	H	α-helix	trans	-66.9	-30.2	176.6	-72.3	175.7	-175	-177.6	0	113.8	D349 I351 W380	D349-K353 WeakPolarHBondContact O-CB 3.11Å; D349-K353 VanDerWaalsContact O-CG 3.29Å; D349-K353 WeakPolarHBondContact O-CG 3.43Å; D349-K353 PolarHBondContact O-N 2.82Å; I351-K353 PolarHBondContact O-N 3.27Å; K353-W380 HydrophobicContact CD-CD2 4.3Å; K353-W380 HydrophobicContact CD-CE3 4.45Å; K353-W380 HydrophobicContact CD-CZ2 4.33Å; K353-W380 VanDerWaalsContact CE-CZ3 3.42Å; K353-W380 HydrophobicContact CG-CD2 3.55Å; K353-W380 HydrophobicContact CG-CE3 3.96Å; K353-W380 HydrophobicContact CG-CG 3.79Å; K353-W380 HydrophobicContact CG-CZ2 4.39Å
354	N	95.3	Very high	94.1	Very high	70 Å²	70	70.5 Å²	70.5	37%	0.374	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	30.6	-174.5	-61.1	-80	0	0	0	111.8	C350 I351 G352 I356 M357 L358	C350-N354 PolarHBondContact O-N 3.43Å; C350-N354 PolarHBondContact O-ND2 3.2Å; I351-N354 CarbonylContact O-C 3.56Å; I351-N354 PolarHBondContact O-N 3.24Å; G352-N354 VanDerWaalsContact C-N 3.32Å; G352-N354 PolarHBondContact O-N 3.31Å; N354-I356 VanDerWaalsContact C-N 3.3Å; N354-I356 PolarHBondContact O-N 2.95Å; N354-M357 PolarHBondContact O-N 2.95Å; N354-M357 VanDerWaalsContact O-N 3.07Å; N354-L358 HydrophobicContact CB-CD1 4.27Å; N354-L358 PolarHBondContact O-N 3.13Å; N354-L358 VanDerWaalsContact O-N 3.13Å
355	S	93.7	Very high	94.2	Very high	31 Å²	31	68.2 Å²	68.2	22%	0.217	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-39.5	-172.1	60.1	0	0	0	0	113.4	I351 L358 E359	I351-S355 WeakPolarHBondContact O-CA 3.47Å; I351-S355 PolarHBondContact O-N 2.9Å; I351-S355 VanDerWaalsContact O-N 3.08Å; S355-L358 CarbonylContact O-C 3.53Å; S355-L358 PolarHBondContact O-N 3Å; S355-E359 PolarHBondContact O-N 3.08Å
356	I	92.7	Very high	94.4	Very high	151 Å²	151	71.3 Å²	71.3	77%	0.774	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-43.3	177	-61.3	170.5	0	0	0	110.9	N354 L358	N354-I356 VanDerWaalsContact C-N 3.3Å; N354-I356 PolarHBondContact O-N 2.95Å; I356-L358 VanDerWaalsContact C-N 3.29Å; I356-L358 PolarHBondContact O-N 2.91Å
357	M	95	Very high	94.4	Very high	142 Å²	142	73.7 Å²	73.7	70%	0.7	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-30.4	-179.3	-168.2	-173.7	86.5	0	0	112.2	N354	N354-M357 PolarHBondContact O-N 2.95Å; N354-M357 VanDerWaalsContact O-N 3.07Å
358	L	94.4	Very high	94.3	Very high	40 Å²	40	79.1 Å²	79.1	21%	0.209	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	9.3	-173	-60.8	173.1	0	0	0	113.4	I351 N354 S355 I356 S360 Q361 I362	I351-L358 HydrophobicContact CB-CD1 4.27Å; I351-L358 HydrophobicContact CG1-CD1 4.13Å; I351-L358 HydrophobicContact CG2-CD1 4.13Å; N354-L358 HydrophobicContact CB-CD1 4.27Å; N354-L358 PolarHBondContact O-N 3.13Å; N354-L358 VanDerWaalsContact O-N 3.13Å; S355-L358 CarbonylContact O-C 3.53Å; S355-L358 PolarHBondContact O-N 3Å; I356-L358 VanDerWaalsContact C-N 3.29Å; I356-L358 PolarHBondContact O-N 2.91Å; L358-S360 VanDerWaalsContact C-N 3.29Å; L358-S360 PolarHBondContact O-N 3.23Å; L358-Q361 VanDerWaalsContact C-OE1 3.27Å; L358-Q361 PolarHBondContact O-N 2.95Å; L358-Q361 PolarHBondContact O-OE1 3.21Å; L358-I362 HydrophobicContact CB-CD1 3.99Å; L358-I362 HydrophobicContact CB-CG1 4.19Å; L358-I362 VanDerWaalsContact O-CG1 3.29Å; L358-I362 WeakPolarHBondContact O-CG1 3.28Å; L358-I362 PolarHBondContact O-N 2.94Å
359	E	92.9	Very high	94.2	Very high	144 Å²	144	81.1 Å²	81.1	67%	0.673	44%	0.436	S	S	*	.	H	α-helix	trans	-52.1	-46.2	-171.6	-174.9	176.2	-166.9	0	0	112.3	S355 Q361 I362	S355-E359 PolarHBondContact O-N 3.08Å; E359-Q361 VanDerWaalsContact C-N 3.31Å; E359-Q361 PolarHBondContact O-N 2.85Å; E359-I362 PolarHBondContact O-N 2.92Å
360	S	92.6	Very high	94.3	Very high	80 Å²	80	82.6 Å²	82.6	56%	0.559	44%	0.444	S	S	*	.	H	α-helix	trans	-61.6	-37.3	179.9	72	0	0	0	0	113.1	L358 S363	L358-S360 VanDerWaalsContact C-N 3.29Å; L358-S360 PolarHBondContact O-N 3.23Å; S360-S363 PolarHBondContact O-OG 2.9Å
361	Q	95	Very high	94.3	Very high	97 Å²	97	85.5 Å²	85.5	45%	0.453	45%	0.45	S	S	.	.	H	α-helix	trans	-83.1	-32.3	-176.9	-62.1	85.8	-15	0	0	111.9	L358 E359 S363 L364	L358-Q361 VanDerWaalsContact C-OE1 3.27Å; L358-Q361 PolarHBondContact O-N 2.95Å; L358-Q361 PolarHBondContact O-OE1 3.21Å; E359-Q361 VanDerWaalsContact C-N 3.31Å; E359-Q361 PolarHBondContact O-N 2.85Å; Q361-S363 PolarHBondContact O-N 2.94Å; Q361-L364 WeakPolarHBondContact O-CB 3.18Å; Q361-L364 PolarHBondContact O-N 3.3Å
362	I	93.9	Very high	94.2	Very high	16 Å²	16	87.8 Å²	87.8	8%	0.082	46%	0.46	C	S	.	.	H	α-helix	trans	-57.5	-41.9	178.9	-71.6	160.6	0	0	0	110.2	I351 L358 E359 L364 L365 L370 V373 I377	I351-I362 HydrophobicContact CG2-CD1 4.09Å; I351-I362 HydrophobicContact CG2-CG1 3.96Å; L358-I362 HydrophobicContact CB-CD1 3.99Å; L358-I362 HydrophobicContact CB-CG1 4.19Å; L358-I362 VanDerWaalsContact O-CG1 3.29Å; L358-I362 WeakPolarHBondContact O-CG1 3.28Å; L358-I362 PolarHBondContact O-N 2.94Å; E359-I362 PolarHBondContact O-N 2.92Å; I362-L364 PolarHBondContact O-N 3.02Å; I362-L364 VanDerWaalsContact O-N 3.11Å; I362-L365 WeakPolarHBondContact O-CB 3.27Å; I362-L365 WeakPolarHBondContact O-CG 3.43Å; I362-L365 PolarHBondContact O-N 2.93Å; I362-L365 VanDerWaalsContact O-N 3.11Å; I362-L370 HydrophobicContact CG2-CD1 3.68Å; I362-L370 WeakPolarHBondContact O-CD1 3.46Å; I362-V373 HydrophobicContact CD1-CG1 4.48Å; I362-V373 HydrophobicContact CG1-CG1 4.17Å; I362-V373 HydrophobicContact CG2-CG1 3.99Å; I362-I377 HydrophobicContact CD1-CD1 3.88Å
363	S	90.8	Very high	94.3	Very high	84 Å²	84	87.6 Å²	87.6	59%	0.587	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-21.3	179.4	73.6	0	0	0	0	114.4	S360 Q361	S360-S363 PolarHBondContact O-OG 2.9Å; Q361-S363 PolarHBondContact O-N 2.94Å
364	L	95.3	Very high	94.3	Very high	142 Å²	142	86 Å²	86	74%	0.743	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-4.5	-178.4	-56	176.4	0	0	0	113.1	Q361 I362	Q361-L364 WeakPolarHBondContact O-CB 3.18Å; Q361-L364 PolarHBondContact O-N 3.3Å; I362-L364 PolarHBondContact O-N 3.02Å; I362-L364 VanDerWaalsContact O-N 3.11Å
365	L	95.1	Very high	94.3	Very high	45 Å²	45	85.8 Å²	85.8	24%	0.236	45%	0.451	C	S	.	.	S	Bend	trans	-70.7	146.2	-176.4	-66.8	177	0	0	0	112	I362 L369 L370 V373	I362-L365 WeakPolarHBondContact O-CB 3.27Å; I362-L365 WeakPolarHBondContact O-CG 3.43Å; I362-L365 PolarHBondContact O-N 2.93Å; I362-L365 VanDerWaalsContact O-N 3.11Å; L365-L369 HydrophobicContact CD1-CG 4.37Å; L365-L369 HydrophobicContact CD2-CD2 3.88Å; L365-L370 HydrophobicContact CB-CB 4.08Å; L365-V373 HydrophobicContact CD1-CB 4.17Å; L365-V373 HydrophobicContact CD1-CG1 4.35Å; L365-V373 HydrophobicContact CD1-CG2 3.7Å
366	P	96.3	Very high	94.3	Very high	82 Å²	82	84.6 Å²	84.6	53%	0.532	44%	0.442	S	S	.	.			trans	-55.7	146.5	171.6	-24.6	33.7	0	0	0	111.7	K368 L369 L370	P366-K368 VanDerWaalsContact C-N 3.33Å; P366-K368 PolarHBondContact O-N 2.63Å; P366-K368 VanDerWaalsContact O-N 3.09Å; P366-L369 PolarHBondContact O-N 3.17Å; P366-L370 PolarHBondContact O-N 3.2Å
367	P	94.7	Very high	94.4	Very high	102 Å²	102	79.1 Å²	79.1	66%	0.662	41%	0.414	S	S	*	.	H	α-helix	trans	-52.9	-42.1	-168.7	-30.3	34.8	0	0	0	115.5	L370 Q371	P367-L370 PolarHBondContact O-N 3.49Å; P367-Q371 WeakPolarHBondContact O-CG 3.45Å; P367-Q371 PolarHBondContact O-N 2.88Å
368	K	93.2	Very high	94.4	Very high	175 Å²	175	74.5 Å²	74.5	76%	0.761	39%	0.394	S	S	*	.	H	α-helix	trans	-64.1	-42.4	178.5	-70.4	-173.9	177.9	-178.6	0	112.3	P366 Q372	P366-K368 VanDerWaalsContact C-N 3.33Å; P366-K368 PolarHBondContact O-N 2.63Å; P366-K368 VanDerWaalsContact O-N 3.09Å; K368-Q372 PolarHBondContact O-N 3.06Å
369	L	94	Very high	94.4	Very high	54 Å²	54	73.6 Å²	73.6	28%	0.283	39%	0.388	S	S	.	.	H	α-helix	trans	-73.9	-39.3	-180	-176.5	61.9	0	0	0	110.7	L344 L348 L365 P366 Q371 Q372 V373	L344-L369 HydrophobicContact CD1-CD1 4.45Å; L348-L369 HydrophobicContact CD2-CD1 3.83Å; L365-L369 HydrophobicContact CD1-CG 4.37Å; L365-L369 HydrophobicContact CD2-CD2 3.88Å; P366-L369 PolarHBondContact O-N 3.17Å; L369-Q371 VanDerWaalsContact C-N 3.31Å; L369-Q371 PolarHBondContact O-N 2.79Å; L369-Q372 PolarHBondContact O-N 2.85Å; L369-Q372 VanDerWaalsContact O-N 3.17Å; L369-V373 HydrophobicContact CG-CG2 4.49Å; L369-V373 WeakPolarHBondContact O-CG2 3.32Å; L369-V373 PolarHBondContact O-N 3.45Å
370	L	95.5	Very high	94.4	Very high	45 Å²	45	69.2 Å²	69.2	24%	0.236	37%	0.366	C	S	.	.	H	α-helix	trans	-55.3	-46.9	173.5	177.4	57.2	0	0	0	111	I362 L365 P366 P367 Q372 V373 L374	I362-L370 HydrophobicContact CG2-CD1 3.68Å; I362-L370 WeakPolarHBondContact O-CD1 3.46Å; L365-L370 HydrophobicContact CB-CB 4.08Å; P366-L370 PolarHBondContact O-N 3.2Å; P367-L370 PolarHBondContact O-N 3.49Å; L370-Q372 PolarHBondContact O-N 2.93Å; L370-V373 PolarHBondContact O-N 2.94Å; L370-L374 HydrophobicContact CD1-CD1 4.1Å; L370-L374 HydrophobicContact CD1-CD2 4.45Å; L370-L374 HydrophobicContact CD1-CG 4Å; L370-L374 HydrophobicContact CG-CD1 4.04Å; L370-L374 HydrophobicContact CG-CG 4.38Å; L370-L374 WeakPolarHBondContact O-CB 3.43Å; L370-L374 VanDerWaalsContact O-CG 3.28Å; L370-L374 WeakPolarHBondContact O-CG 3.49Å; L370-L374 PolarHBondContact O-N 3.05Å
371	Q	94.6	Very high	94.4	Very high	131 Å²	131	67.8 Å²	67.8	61%	0.612	36%	0.359	S	S	*	.	H	α-helix	trans	-59.7	-43.3	176.6	-75.4	178.5	-11.4	0	0	112.8	P367 L369 L374 K375	P367-Q371 WeakPolarHBondContact O-CG 3.45Å; P367-Q371 PolarHBondContact O-N 2.88Å; L369-Q371 VanDerWaalsContact C-N 3.31Å; L369-Q371 PolarHBondContact O-N 2.79Å; Q371-L374 PolarHBondContact O-N 3.28Å; Q371-K375 WeakPolarHBondContact O-CG 3.38Å; Q371-K375 PolarHBondContact O-N 2.82Å
372	Q	94.3	Very high	94.1	Very high	87 Å²	87	63.2 Å²	63.2	41%	0.407	34%	0.337	S	S	.	.	H	α-helix	trans	-64.2	-42.4	176.9	-70.6	179.9	-18.6	0	0	112	L348 K368 L369 L370 K375 K376	L348-Q372 HydrophobicContact CD1-CB 4.15Å; L348-Q372 HydrophobicContact CD2-CB 4.03Å; K368-Q372 PolarHBondContact O-N 3.06Å; L369-Q372 PolarHBondContact O-N 2.85Å; L369-Q372 VanDerWaalsContact O-N 3.17Å; L370-Q372 PolarHBondContact O-N 2.93Å; Q372-K375 PolarHBondContact O-N 3.13Å; Q372-K376 PolarHBondContact O-N 3.28Å
373	V	96	Very high	93.8	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62.6	-48.5	176.3	165.6	0	0	0	0	110.7	L348 I351 I362 L365 L369 L370 K375 K376 I377	L348-V373 HydrophobicContact CD2-CG2 3.53Å; I351-V373 HydrophobicContact CD1-CG2 4.15Å; I351-V373 HydrophobicContact CG2-CG1 3.53Å; I351-V373 HydrophobicContact CG2-CG2 4.19Å; I362-V373 HydrophobicContact CD1-CG1 4.48Å; I362-V373 HydrophobicContact CG1-CG1 4.17Å; I362-V373 HydrophobicContact CG2-CG1 3.99Å; L365-V373 HydrophobicContact CD1-CB 4.17Å; L365-V373 HydrophobicContact CD1-CG1 4.35Å; L365-V373 HydrophobicContact CD1-CG2 3.7Å; L369-V373 HydrophobicContact CG-CG2 4.49Å; L369-V373 WeakPolarHBondContact O-CG2 3.32Å; L369-V373 PolarHBondContact O-N 3.45Å; L370-V373 PolarHBondContact O-N 2.94Å; V373-K375 VanDerWaalsContact C-N 3.3Å; V373-K375 PolarHBondContact O-N 2.99Å; V373-K376 CarbonylContact O-C 3.59Å; V373-K376 WeakPolarHBondContact O-CA 3.28Å; V373-K376 PolarHBondContact O-N 2.77Å; V373-I377 HydrophobicContact CG1-CD1 3.76Å; V373-I377 HydrophobicContact CG1-CG1 4.22Å; V373-I377 VanDerWaalsContact O-CG1 3.31Å; V373-I377 WeakPolarHBondContact O-CG1 3.28Å; V373-I377 PolarHBondContact O-N 2.76Å
374	L	95.5	Very high	93.8	Very high	87 Å²	87	63.8 Å²	63.8	46%	0.455	34%	0.337	S	S	.	.	H	α-helix	trans	-57.1	-43.8	178	-71.1	173.5	0	0	0	111.6	L370 Q371 K376 I377 T378	L370-L374 HydrophobicContact CD1-CD1 4.1Å; L370-L374 HydrophobicContact CD1-CD2 4.45Å; L370-L374 HydrophobicContact CD1-CG 4Å; L370-L374 HydrophobicContact CG-CD1 4.04Å; L370-L374 HydrophobicContact CG-CG 4.38Å; L370-L374 WeakPolarHBondContact O-CB 3.43Å; L370-L374 VanDerWaalsContact O-CG 3.28Å; L370-L374 WeakPolarHBondContact O-CG 3.49Å; L370-L374 PolarHBondContact O-N 3.05Å; Q371-L374 PolarHBondContact O-N 3.28Å; L374-K376 VanDerWaalsContact C-N 3.33Å; L374-K376 PolarHBondContact O-N 3.15Å; L374-I377 HydrophobicContact CD2-CD1 4.39Å; L374-I377 WeakPolarHBondContact O-CB 3.23Å; L374-I377 PolarHBondContact O-N 3.2Å; L374-T378 PolarHBondContact O-N 3.48Å; L374-T378 PolarHBondContact O-OG1 3.19Å; L374-T378 VanDerWaalsContact O-OG1 3.12Å
375	K	94.6	Very high	93.4	Very high	67 Å²	67	60 Å²	60	29%	0.291	32%	0.316	S	S	.	.	H	α-helix	trans	-59.5	-42.1	173.7	-72.1	-162.9	-177.6	-165.7	0	112.4	N23 D50 D52 S53 Q371 Q372 V373 T378 F379	N23-K375 PolarHBondContact ND2-NZ 2.94Å; D50-K375 IonicContact OD1-NZ 3.82Å; D50-K375 IonicContact OD2-NZ 3.56Å; D52-K375 HydrophobicContact CB-CB 4.21Å; D52-K375 HydrophobicContact CB-CD 3.39Å; D52-K375 HydrophobicContact CB-CG 4.48Å; D52-K375 IonicContact OD2-NZ 3.17Å; D52-K375 PolarHBondContact OD2-NZ 3.49Å; S53-K375 WeakPolarHBondContact CA-O 3.26Å; Q371-K375 WeakPolarHBondContact O-CG 3.38Å; Q371-K375 PolarHBondContact O-N 2.82Å; Q372-K375 PolarHBondContact O-N 3.13Å; V373-K375 VanDerWaalsContact C-N 3.3Å; V373-K375 PolarHBondContact O-N 2.99Å; K375-T378 WeakPolarHBondContact O-CB 3.49Å; K375-T378 PolarHBondContact O-N 2.98Å; K375-F379 PolarHBondContact O-N 3.33Å
376	K	94.9	Very high	92.9	Very high	6 Å²	6	60.9 Å²	60.9	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-69.5	-32.6	176.7	-72.9	-50.5	-174.9	-169	0	113.8	D52 L348 Q372 V373 L374 T378 F379 W380	D52-K376 PolarHBondContact O-NZ 3.25Å; L348-K376 HydrophobicContact CB-CG 3.88Å; Q372-K376 PolarHBondContact O-N 3.28Å; V373-K376 CarbonylContact O-C 3.59Å; V373-K376 WeakPolarHBondContact O-CA 3.28Å; V373-K376 PolarHBondContact O-N 2.77Å; L374-K376 VanDerWaalsContact C-N 3.33Å; L374-K376 PolarHBondContact O-N 3.15Å; K376-T378 VanDerWaalsContact C-N 3.34Å; K376-F379 HydrophobicContact CD-CB 4.32Å; K376-F379 WeakPolarHBondContact O-CB 3.36Å; K376-F379 PolarHBondContact O-N 3.28Å; K376-W380 PolarHBondContact O-N 2.97Å
377	I	95	Very high	92.4	Very high	36 Å²	36	61.1 Å²	61.1	19%	0.185	31%	0.31	C	S	.	.	H	α-helix	trans	-60.7	-48.3	170.4	-65	170.7	0	0	0	109.4	I362 V373 L374 F379 W380 A381	I362-I377 HydrophobicContact CD1-CD1 3.88Å; V373-I377 HydrophobicContact CG1-CD1 3.76Å; V373-I377 HydrophobicContact CG1-CG1 4.22Å; V373-I377 VanDerWaalsContact O-CG1 3.31Å; V373-I377 WeakPolarHBondContact O-CG1 3.28Å; V373-I377 PolarHBondContact O-N 2.76Å; L374-I377 HydrophobicContact CD2-CD1 4.39Å; L374-I377 WeakPolarHBondContact O-CB 3.23Å; L374-I377 PolarHBondContact O-N 3.2Å; I377-F379 VanDerWaalsContact C-N 3.33Å; I377-F379 PolarHBondContact O-N 3.4Å; I377-W380 PolarHBondContact O-N 3.14Å; I377-A381 WeakPolarHBondContact O-CB 3.29Å; I377-A381 PolarHBondContact O-N 3.35Å
378	T	94.8	Very high	91.9	Very high	45 Å²	45	62.5 Å²	62.5	28%	0.276	31%	0.308	S	S	.	.	H	α-helix	trans	-59	-43.3	175.1	-56.5	0	0	0	0	112	L55 L374 K375 K376 W380 A381 A382	L55-T378 HydrophobicContact CD1-CG2 3.65Å; L55-T378 HydrophobicContact CD2-CG2 3.94Å; L55-T378 HydrophobicContact CG-CG2 3.83Å; L374-T378 PolarHBondContact O-N 3.48Å; L374-T378 PolarHBondContact O-OG1 3.19Å; L374-T378 VanDerWaalsContact O-OG1 3.12Å; K375-T378 WeakPolarHBondContact O-CB 3.49Å; K375-T378 PolarHBondContact O-N 2.98Å; K376-T378 VanDerWaalsContact C-N 3.34Å; T378-W380 PolarHBondContact O-N 3.39Å; T378-A381 PolarHBondContact O-N 2.88Å; T378-A382 WeakPolarHBondContact O-CB 3.41Å; T378-A382 PolarHBondContact O-N 3.2Å
379	F	93.5	Very high	91.5	Very high	21 Å²	21	59.4 Å²	59.4	9%	0.092	30%	0.296	C	S	.	.	H	α-helix	trans	-56.8	-50.9	177.3	179.4	-83.6	0	0	0	112	S53 K375 K376 I377 A382 A383	S53-F379 WeakPolarHBondContact O-CA 3.49Å; S53-F379 PolarHBondContact O-N 3.47Å; K375-F379 PolarHBondContact O-N 3.33Å; K376-F379 HydrophobicContact CD-CB 4.32Å; K376-F379 WeakPolarHBondContact O-CB 3.36Å; K376-F379 PolarHBondContact O-N 3.28Å; I377-F379 VanDerWaalsContact C-N 3.33Å; I377-F379 PolarHBondContact O-N 3.4Å; F379-A382 PolarHBondContact O-N 2.99Å; F379-A383 VanDerWaalsContact O-CB 3.29Å; F379-A383 WeakPolarHBondContact O-CB 3.21Å; F379-A383 PolarHBondContact O-N 3.09Å
380	W	94.1	Very high	90.8	Very high	52 Å²	52	62.1 Å²	62.1	20%	0.197	30%	0.302	C	S	.	.	H	α-helix	trans	-71	-33.9	-178.5	-75.2	105.8	0	0	0	112.3	D349 K353 K376 I377 T378 A383 N384	D349-W380 HydrophobicContact CB-CZ2 4.26Å; D349-W380 PolarHBondContact OD1-NE1 2.76Å; K353-W380 HydrophobicContact CD-CD2 4.3Å; K353-W380 HydrophobicContact CD-CE3 4.45Å; K353-W380 HydrophobicContact CD-CZ2 4.33Å; K353-W380 VanDerWaalsContact CE-CZ3 3.42Å; K353-W380 HydrophobicContact CG-CD2 3.55Å; K353-W380 HydrophobicContact CG-CE3 3.96Å; K353-W380 HydrophobicContact CG-CG 3.79Å; K353-W380 HydrophobicContact CG-CZ2 4.39Å; K376-W380 PolarHBondContact O-N 2.97Å; I377-W380 PolarHBondContact O-N 3.14Å; T378-W380 PolarHBondContact O-N 3.39Å; W380-A383 HydrophobicContact CE3-CB 4.39Å; W380-A383 PolarHBondContact O-N 3.43Å; W380-N384 WeakPolarHBondContact O-CB 3.38Å; W380-N384 PolarHBondContact O-N 2.69Å; W380-N384 PolarHBondContact O-ND2 2.87Å; W380-N384 PolarHBondContact O-OD1 3.09Å
381	A	92	Very high	90.2	Very high	50 Å²	50	62.8 Å²	62.8	41%	0.413	31%	0.308	S	S	.	.	H	α-helix	trans	-61.2	-47.9	171.1	0	0	0	0	0	111.7	I377 T378 N384 H385	I377-A381 WeakPolarHBondContact O-CB 3.29Å; I377-A381 PolarHBondContact O-N 3.35Å; T378-A381 PolarHBondContact O-N 2.88Å; A381-N384 PolarHBondContact O-N 2.76Å; A381-H385 WeakPolarHBondContact O-CB 3.34Å; A381-H385 PolarHBondContact O-N 3.06Å
382	A	88.8	Confident	89.5	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.6	-38.7	177.6	0	0	0	0	0	112.3	F7 L55 T378 F379 R386	F7-A382 HydrophobicContact CD1-CB 3.62Å; F7-A382 HydrophobicContact CE1-CB 3.51Å; F7-A382 HydrophobicContact CG-CB 4.28Å; F7-A382 HydrophobicContact CZ-CB 4.07Å; L55-A382 HydrophobicContact CD2-CB 4.04Å; T378-A382 WeakPolarHBondContact O-CB 3.41Å; T378-A382 PolarHBondContact O-N 3.2Å; F379-A382 PolarHBondContact O-N 2.99Å; A382-R386 WeakPolarHBondContact O-CG 3.1Å; A382-R386 PolarHBondContact O-N 2.9Å; A382-R386 VanDerWaalsContact O-N 3.07Å; A382-R386 PolarHBondContact O-NE 2.97Å
383	A	88.1	Confident	88.7	Confident	25 Å²	25	64.3 Å²	64.3	21%	0.207	31%	0.313	C	S	.	.	H	α-helix	trans	-64.1	-46.5	177.2	0	0	0	0	0	111.9	F379 W380 R386 E387	F379-A383 VanDerWaalsContact O-CB 3.29Å; F379-A383 WeakPolarHBondContact O-CB 3.21Å; F379-A383 PolarHBondContact O-N 3.09Å; W380-A383 HydrophobicContact CE3-CB 4.39Å; W380-A383 PolarHBondContact O-N 3.43Å; A383-R386 PolarHBondContact O-N 3.44Å; A383-E387 PolarHBondContact O-N 3.38Å
384	N	88.9	Confident	87.9	Confident	88 Å²	88	67.7 Å²	67.7	47%	0.471	33%	0.329	S	S	.	.	H	α-helix	trans	-63	-43.9	177.5	-68	-10.6	0	0	0	111.2	W380 A381 R386 E387 E388	W380-N384 WeakPolarHBondContact O-CB 3.38Å; W380-N384 PolarHBondContact O-N 2.69Å; W380-N384 PolarHBondContact O-ND2 2.87Å; W380-N384 PolarHBondContact O-OD1 3.09Å; A381-N384 PolarHBondContact O-N 2.76Å; N384-R386 VanDerWaalsContact C-N 3.35Å; N384-R386 PolarHBondContact O-N 3.21Å; N384-E387 PolarHBondContact O-N 2.78Å; N384-E387 VanDerWaalsContact O-N 3.16Å; N384-E388 WeakPolarHBondContact O-CG 3.34Å; N384-E388 PolarHBondContact O-N 3.35Å
385	H	87.4	Confident	87.1	Confident	63 Å²	63	68.8 Å²	68.8	29%	0.292	33%	0.331	S	S	.	.	H	α-helix	trans	-59.7	-43.3	177.5	-174.2	71.1	0	0	0	112.8	F7 A381 E387 E388 Q389	F7-H385 HydrophobicContact CD2-CB 3.94Å; F7-H385 AromaticContact CD2-CD2 3.38Å; F7-H385 WeakPolarHBondContact CD2-CD2 3.38Å; F7-H385 AromaticContact CD2-CG 3.7Å; F7-H385 HydrophobicContact CE2-CB 3.85Å; F7-H385 AromaticContact CE2-CG 3.91Å; A381-H385 WeakPolarHBondContact O-CB 3.34Å; A381-H385 PolarHBondContact O-N 3.06Å; H385-E387 VanDerWaalsContact C-N 3.32Å; H385-E387 PolarHBondContact O-N 3.04Å; H385-E388 PolarHBondContact O-N 2.76Å; H385-Q389 PolarHBondContact NE2-NE2 2.99Å; H385-Q389 WeakPolarHBondContact O-CG 3.37Å; H385-Q389 PolarHBondContact O-N 2.89Å
386	R	84.8	Confident	86.2	Confident	62 Å²	62	68.2 Å²	68.2	23%	0.234	33%	0.334	C	S	.	.	H	α-helix	trans	-64	-37.9	176.1	-76	-178.9	-72.2	-112.4	1.7	112.3	G54 A382 A383 N384 R390	G54-R386 PolarHBondContact O-NH1 3.44Å; G54-R386 PolarHBondContact O-NH2 3.47Å; A382-R386 WeakPolarHBondContact O-CG 3.1Å; A382-R386 PolarHBondContact O-N 2.9Å; A382-R386 VanDerWaalsContact O-N 3.07Å; A382-R386 PolarHBondContact O-NE 2.97Å; A383-R386 PolarHBondContact O-N 3.44Å; N384-R386 VanDerWaalsContact C-N 3.35Å; N384-R386 PolarHBondContact O-N 3.21Å; R386-R390 WeakPolarHBondContact O-CB 3.32Å; R386-R390 PolarHBondContact O-N 3.3Å
387	E	84.9	Confident	85.1	Confident	88 Å²	88	72.6 Å²	72.6	41%	0.411	35%	0.354	S	S	.	.	H	α-helix	trans	-67.9	-42.7	178	-175.7	62.7	-176.3	0	0	111.6	A383 N384 H385 Q389 R390 V391	A383-E387 PolarHBondContact O-N 3.38Å; N384-E387 PolarHBondContact O-N 2.78Å; N384-E387 VanDerWaalsContact O-N 3.16Å; H385-E387 VanDerWaalsContact C-N 3.32Å; H385-E387 PolarHBondContact O-N 3.04Å; E387-Q389 PolarHBondContact O-N 2.97Å; E387-R390 VanDerWaalsContact CD-NH2 3.32Å; E387-R390 WeakPolarHBondContact O-CB 3.45Å; E387-R390 PolarHBondContact O-N 3.14Å; E387-R390 IonicContact OE1-CZ 3.55Å; E387-R390 IonicContact OE1-NE 3.2Å; E387-R390 IonicContact OE1-NH2 3.58Å; E387-R390 PolarHBondContact OE1-NH2 2.92Å; E387-R390 IonicContact OE2-CZ 3.51Å; E387-R390 IonicContact OE2-NE 3.67Å; E387-R390 PolarHBondContact OE2-NE 2.8Å; E387-R390 IonicContact OE2-NH2 3.47Å; E387-R390 PolarHBondContact OE2-NH2 3.24Å; E387-V391 WeakPolarHBondContact O-CG2 3.17Å; E387-V391 PolarHBondContact O-N 3.33Å
388	E	86.2	Confident	84	Confident	131 Å²	131	77.3 Å²	77.3	61%	0.612	37%	0.374	S	S	*	.	H	α-helix	trans	-58.8	-46.8	173.9	-71.9	167.8	-174.1	0	0	111.7	N384 H385 R390 V391 Q392	N384-E388 WeakPolarHBondContact O-CG 3.34Å; N384-E388 PolarHBondContact O-N 3.35Å; H385-E388 PolarHBondContact O-N 2.76Å; E388-R390 VanDerWaalsContact C-N 3.31Å; E388-R390 PolarHBondContact O-N 2.96Å; E388-V391 PolarHBondContact O-N 2.92Å; E388-Q392 WeakPolarHBondContact O-CB 3.18Å; E388-Q392 PolarHBondContact O-N 2.99Å
389	Q	83.4	Confident	82.7	Confident	109 Å²	109	82 Å²	82	51%	0.509	39%	0.39	S	S	.	.	H	α-helix	trans	-60.5	-40	175.8	-73.5	-172.7	-4.8	0	0	112.4	H385 E387 Q392 K393	H385-Q389 PolarHBondContact NE2-NE2 2.99Å; H385-Q389 WeakPolarHBondContact O-CG 3.37Å; H385-Q389 PolarHBondContact O-N 2.89Å; E387-Q389 PolarHBondContact O-N 2.97Å; Q389-Q392 PolarHBondContact O-N 3.48Å; Q389-K393 WeakPolarHBondContact O-CB 2.88Å; Q389-K393 PolarHBondContact O-N 2.87Å
390	R	80.1	Confident	81.2	Confident	112 Å²	112	89 Å²	89	42%	0.423	42%	0.417	S	S	.	.	H	α-helix	trans	-64.3	-48.1	178.6	-174.1	179.8	72.9	90	-2	111.5	R386 E387 E388 Q392 K393 E394	R386-R390 WeakPolarHBondContact O-CB 3.32Å; R386-R390 PolarHBondContact O-N 3.3Å; E387-R390 VanDerWaalsContact CD-NH2 3.32Å; E387-R390 WeakPolarHBondContact O-CB 3.45Å; E387-R390 PolarHBondContact O-N 3.14Å; E387-R390 IonicContact OE1-CZ 3.55Å; E387-R390 IonicContact OE1-NE 3.2Å; E387-R390 IonicContact OE1-NH2 3.58Å; E387-R390 PolarHBondContact OE1-NH2 2.92Å; E387-R390 IonicContact OE2-CZ 3.51Å; E387-R390 IonicContact OE2-NE 3.67Å; E387-R390 PolarHBondContact OE2-NE 2.8Å; E387-R390 IonicContact OE2-NH2 3.47Å; E387-R390 PolarHBondContact OE2-NH2 3.24Å; E388-R390 VanDerWaalsContact C-N 3.31Å; E388-R390 PolarHBondContact O-N 2.96Å; R390-Q392 VanDerWaalsContact C-N 3.3Å; R390-Q392 PolarHBondContact O-N 3.09Å; R390-K393 PolarHBondContact O-N 3.06Å; R390-E394 IonicContact CZ-OE1 2.63Å; R390-E394 IonicContact NH1-OE1 3.97Å; R390-E394 PolarHBondContact NH1-OE1 3.32Å; R390-E394 IonicContact NH1-OE2 2.66Å; R390-E394 WeakPolarHBondContact O-CG 3.39Å; R390-E394 PolarHBondContact O-N 2.74Å
391	V	82.1	Confident	79.5	Confident	58 Å²	58	92.5 Å²	92.5	35%	0.352	44%	0.436	S	S	.	.	H	α-helix	trans	-59.6	-44.5	177.7	172.8	0	0	0	0	110.3	E387 E388 K393 E394 E395	E387-V391 WeakPolarHBondContact O-CG2 3.17Å; E387-V391 PolarHBondContact O-N 3.33Å; E388-V391 PolarHBondContact O-N 2.92Å; V391-K393 VanDerWaalsContact C-N 3.33Å; V391-K393 PolarHBondContact O-N 3.18Å; V391-E394 PolarHBondContact O-N 2.82Å; V391-E395 WeakPolarHBondContact O-CG 3.33Å; V391-E395 PolarHBondContact O-N 3.25Å
392	Q	79.9	Confident	77.9	Confident	115 Å²	115	98.6 Å²	98.6	54%	0.537	45%	0.448	S	S	.	.	H	α-helix	trans	-60.9	-40.6	177.4	-168.3	64.2	51.4	0	0	112.5	E388 Q389 R390 T396	E388-Q392 WeakPolarHBondContact O-CB 3.18Å; E388-Q392 PolarHBondContact O-N 2.99Å; Q389-Q392 PolarHBondContact O-N 3.48Å; R390-Q392 VanDerWaalsContact C-N 3.3Å; R390-Q392 PolarHBondContact O-N 3.09Å; Q392-T396 WeakPolarHBondContact O-CB 3.46Å; Q392-T396 PolarHBondContact O-N 2.95Å; Q392-T396 VanDerWaalsContact O-N 3.09Å; Q392-T396 PolarHBondContact O-OG1 2.6Å
393	K	78.6	Confident	76.6	Confident	135 Å²	135	103 Å²	103	59%	0.587	47%	0.471	S	S	*	.	H	α-helix	trans	-65.2	-46.7	176.3	-172.2	175.6	178.3	176.9	0	111.3	Q389 R390 V391 E395 T396 E397	Q389-K393 WeakPolarHBondContact O-CB 2.88Å; Q389-K393 PolarHBondContact O-N 2.87Å; R390-K393 PolarHBondContact O-N 3.06Å; V391-K393 VanDerWaalsContact C-N 3.33Å; V391-K393 PolarHBondContact O-N 3.18Å; K393-E395 PolarHBondContact O-N 3.06Å; K393-T396 WeakPolarHBondContact O-CB 3.45Å; K393-T396 PolarHBondContact O-N 3.22Å; K393-T396 VanDerWaalsContact O-N 3.16Å; K393-E397 WeakPolarHBondContact CE-OE1 3.46Å; K393-E397 WeakPolarHBondContact O-CG 3.47Å; K393-E397 PolarHBondContact O-N 3.19Å
394	E	79.1	Confident	75	Confident	71 Å²	71	106.4 Å²	106.4	33%	0.332	49%	0.493	S	S	.	.	H	α-helix	trans	-62.6	-39.3	178.9	-73.1	177.8	-169.7	0	0	112.7	R390 V391 T396 K398	R390-E394 IonicContact CZ-OE1 2.63Å; R390-E394 IonicContact NH1-OE1 3.97Å; R390-E394 PolarHBondContact NH1-OE1 3.32Å; R390-E394 IonicContact NH1-OE2 2.66Å; R390-E394 WeakPolarHBondContact O-CG 3.39Å; R390-E394 PolarHBondContact O-N 2.74Å; V391-E394 PolarHBondContact O-N 2.82Å; E394-T396 VanDerWaalsContact C-N 3.34Å; E394-K398 WeakPolarHBondContact O-CB 3.24Å; E394-K398 VanDerWaalsContact O-CG 3.26Å; E394-K398 WeakPolarHBondContact O-CG 3.31Å; E394-K398 PolarHBondContact O-N 2.86Å
395	E	78.4	Confident	73.3	Confident	110 Å²	110	106.7 Å²	106.7	51%	0.514	50%	0.502	S	S	.	.	H	α-helix	trans	-64.8	-39.8	174.1	-74.2	-178.2	171.6	0	0	112.1	V391 K393 K399	V391-E395 WeakPolarHBondContact O-CG 3.33Å; V391-E395 PolarHBondContact O-N 3.25Å; K393-E395 PolarHBondContact O-N 3.06Å; E395-K399 WeakPolarHBondContact O-CB 3.44Å; E395-K399 PolarHBondContact O-N 2.95Å
396	T	74.7	Confident	71.3	Confident	55 Å²	55	111.4 Å²	111.4	34%	0.337	53%	0.529	S	S	.	.	H	α-helix	trans	-66.1	-47.5	178.5	-57	0	0	0	0	110.8	Q392 K393 E394 K398 K399 Y400	Q392-T396 WeakPolarHBondContact O-CB 3.46Å; Q392-T396 PolarHBondContact O-N 2.95Å; Q392-T396 VanDerWaalsContact O-N 3.09Å; Q392-T396 PolarHBondContact O-OG1 2.6Å; K393-T396 WeakPolarHBondContact O-CB 3.45Å; K393-T396 PolarHBondContact O-N 3.22Å; K393-T396 VanDerWaalsContact O-N 3.16Å; E394-T396 VanDerWaalsContact C-N 3.34Å; T396-K398 PolarHBondContact O-N 3.46Å; T396-K399 WeakPolarHBondContact O-CB 3.5Å; T396-K399 PolarHBondContact O-N 3.44Å; T396-K399 VanDerWaalsContact O-N 3.14Å; T396-Y400 HydrophobicContact CG2-CD2 3.74Å; T396-Y400 HydrophobicContact CG2-CE2 3.47Å; T396-Y400 VanDerWaalsContact CG2-CE2 3.47Å; T396-Y400 WeakPolarHBondContact O-CD2 3.46Å; T396-Y400 PolarHBondContact O-N 2.9Å
397	E	73.4	Confident	70.6	Confident	99 Å²	99	113.9 Å²	113.9	46%	0.463	54%	0.544	S	S	.	.	H	α-helix	trans	-60.3	-43.5	176.9	-74.7	174.2	-176.7	0	0	112.1	K393 K399 Y400 Q401	K393-E397 WeakPolarHBondContact CE-OE1 3.46Å; K393-E397 WeakPolarHBondContact O-CG 3.47Å; K393-E397 PolarHBondContact O-N 3.19Å; E397-K399 VanDerWaalsContact C-N 3.3Å; E397-K399 PolarHBondContact O-N 3.46Å; E397-Y400 PolarHBondContact O-N 2.88Å; E397-Q401 WeakPolarHBondContact O-CG 3.26Å; E397-Q401 PolarHBondContact O-N 2.86Å
398	K	71.3	Confident	69.9	Low	135 Å²	135	115.2 Å²	115.2	59%	0.587	55%	0.551	S	S	*	*	H	α-helix	trans	-61.1	-38.6	174.6	-74.9	171.3	-173.9	168.1	0	112.3	E394 T396 Q401 W402	E394-K398 WeakPolarHBondContact O-CB 3.24Å; E394-K398 VanDerWaalsContact O-CG 3.26Å; E394-K398 WeakPolarHBondContact O-CG 3.31Å; E394-K398 PolarHBondContact O-N 2.86Å; T396-K398 PolarHBondContact O-N 3.46Å; K398-Q401 PolarHBondContact O-N 2.78Å; K398-W402 PolarHBondContact O-N 3.07Å
399	K	66.4	Low	69	Low	144 Å²	144	114.3 Å²	114.3	63%	0.626	55%	0.547	S	S	*	.	H	α-helix	trans	-67	-41.7	177.3	-170.8	178.3	179.8	-178.9	0	111.6	E395 T396 E397 W402 I403	E395-K399 WeakPolarHBondContact O-CB 3.44Å; E395-K399 PolarHBondContact O-N 2.95Å; T396-K399 WeakPolarHBondContact O-CB 3.5Å; T396-K399 PolarHBondContact O-N 3.44Å; T396-K399 VanDerWaalsContact O-N 3.14Å; E397-K399 VanDerWaalsContact C-N 3.3Å; E397-K399 PolarHBondContact O-N 3.46Å; K399-W402 PolarHBondContact O-N 2.81Å; K399-I403 HydrophobicContact CG-CD1 4.25Å; K399-I403 WeakPolarHBondContact O-CG1 3.48Å; K399-I403 PolarHBondContact O-N 2.98Å; K399-I403 VanDerWaalsContact O-N 3.09Å
400	Y	61.7	Low	68.1	Low	166 Å²	166	114.6 Å²	114.6	65%	0.651	55%	0.55	S	S	*	.	H	α-helix	trans	-64.9	-42.1	175.1	-82	-72	0	0	0	112.3	T396 E397 W402 I403 S404	T396-Y400 HydrophobicContact CG2-CD2 3.74Å; T396-Y400 HydrophobicContact CG2-CE2 3.47Å; T396-Y400 VanDerWaalsContact CG2-CE2 3.47Å; T396-Y400 WeakPolarHBondContact O-CD2 3.46Å; T396-Y400 PolarHBondContact O-N 2.9Å; E397-Y400 PolarHBondContact O-N 2.88Å; Y400-W402 VanDerWaalsContact C-N 3.32Å; Y400-W402 PolarHBondContact O-N 3.21Å; Y400-I403 PolarHBondContact O-N 3.14Å; Y400-S404 PolarHBondContact O-N 3.01Å; Y400-S404 PolarHBondContact O-OG 2.86Å
401	Q	59.3	Low	67.4	Low	127 Å²	127	114.8 Å²	114.8	59%	0.593	56%	0.558	S	S	*	*	H	α-helix	trans	-62.2	-38.1	174.4	-74.5	-177.9	-12.4	0	0	112.4	E397 K398 S404 S405	E397-Q401 WeakPolarHBondContact O-CG 3.26Å; E397-Q401 PolarHBondContact O-N 2.86Å; K398-Q401 PolarHBondContact O-N 2.78Å; Q401-S404 WeakPolarHBondContact CA-OG 3.45Å; Q401-S404 PolarHBondContact O-N 3.19Å; Q401-S404 PolarHBondContact O-OG 3.39Å; Q401-S404 VanDerWaalsContact O-OG 3.06Å; Q401-S405 WeakPolarHBondContact O-CB 3.39Å; Q401-S405 PolarHBondContact O-N 2.79Å; Q401-S405 PolarHBondContact O-OG 3.41Å
402	W	59.2	Low	66.4	Low	178 Å²	178	118.6 Å²	118.6	67%	0.674	57%	0.571	S	S	*	*	H	α-helix	trans	-66.7	-35.1	175.6	-173.1	77.6	0	0	0	112.9	K398 K399 Y400 N406	K398-W402 PolarHBondContact O-N 3.07Å; K399-W402 PolarHBondContact O-N 2.81Å; Y400-W402 VanDerWaalsContact C-N 3.32Å; Y400-W402 PolarHBondContact O-N 3.21Å; W402-N406 PolarHBondContact NE1-ND2 3.03Å; W402-N406 PolarHBondContact O-ND2 3.02Å
403	I	61.6	Low	65.5	Low	92 Å²	92	118.9 Å²	118.9	47%	0.472	57%	0.574	S	S	.	*	H	α-helix	trans	-74.3	-35.1	176.6	-66	166.2	0	0	0	111.6	K399 Y400 S405	K399-I403 HydrophobicContact CG-CD1 4.25Å; K399-I403 WeakPolarHBondContact O-CG1 3.48Å; K399-I403 PolarHBondContact O-N 2.98Å; K399-I403 VanDerWaalsContact O-N 3.09Å; Y400-I403 PolarHBondContact O-N 3.14Å; I403-S405 VanDerWaalsContact C-N 3.27Å; I403-S405 PolarHBondContact O-N 3.06Å
404	S	54.1	Low	64.4	Low	96 Å²	96	117.6 Å²	117.6	67%	0.671	57%	0.573	S	S	*	*	H	α-helix	trans	-77.7	-11.7	177.6	62.1	0	0	0	0	114	Y400 Q401	Y400-S404 PolarHBondContact O-N 3.01Å; Y400-S404 PolarHBondContact O-OG 2.86Å; Q401-S404 WeakPolarHBondContact CA-OG 3.45Å; Q401-S404 PolarHBondContact O-N 3.19Å; Q401-S404 PolarHBondContact O-OG 3.39Å; Q401-S404 VanDerWaalsContact O-OG 3.06Å
405	S	53	Low	63.2	Low	94 Å²	94	121.5 Å²	121.5	66%	0.657	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-2.3	-178.6	-50.6	0	0	0	0	113.7	Q401 I403	Q401-S405 WeakPolarHBondContact O-CB 3.39Å; Q401-S405 PolarHBondContact O-N 2.79Å; Q401-S405 PolarHBondContact O-OG 3.41Å; I403-S405 VanDerWaalsContact C-N 3.27Å; I403-S405 PolarHBondContact O-N 3.06Å
406	N	45.7	Very low	61.8	Low	162 Å²	162	122.5 Å²	122.5	87%	0.866	60%	0.6	S	S	*	*			trans	-123.3	0	175.9	-69.9	-49.2	0	0	0	109.4	W402	W402-N406 PolarHBondContact NE1-ND2 3.03Å; W402-N406 PolarHBondContact O-ND2 3.02Å

Retrieved 406 of 406 residues in 761.1 ms (Link to these results)

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